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 3iss_1_H DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT KLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDV DATA SEQUENCE DTSMKLLSQL GAKVERDGSV HIDARDVNVF CAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCTIGAR PVDLHISGLE QLGATIKLEE GYVKASVDGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM CAATLAEGTT IIENAAREPE IVDTANFLIT DATA SEQUENCE LGAKISGQGT DRIVIEGVER LGGGVYRVLP DRIETGTFLV AAAISRGKII DATA SEQUENCE CRNAQPDTLD AVLAKLRDAG ADIEVGEDWI SLDMHGKRPK AVNVRTAPHP DATA SEQUENCE AFPTDMQAQF TLLNLVAEGT GFITETVFEN RFMHVPELSR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.296 176.300 -0.007 0.000 1.140 1 M CA 0.000 55.302 55.300 0.004 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 D N 2.757 123.142 120.400 -0.024 0.000 2.400 2 D HA 0.445 5.086 4.640 0.001 0.000 0.238 2 D C 0.052 176.280 176.300 -0.118 0.000 1.157 2 D CA 0.636 54.593 54.000 -0.073 0.000 0.889 2 D CB 1.176 41.911 40.800 -0.109 0.000 1.199 2 D HN 0.310 nan 8.370 nan 0.000 0.436 3 K N 0.392 120.709 120.400 -0.138 0.000 2.482 3 K HA 0.465 4.785 4.320 0.001 0.000 0.257 3 K C -1.112 175.414 176.600 -0.123 0.000 0.969 3 K CA -0.828 55.381 56.287 -0.129 0.000 0.842 3 K CB 1.636 34.124 32.500 -0.020 0.000 1.359 3 K HN 0.140 nan 8.250 nan 0.000 0.441 4 F N 1.605 121.563 119.950 0.013 0.000 2.427 4 F HA 0.392 4.919 4.527 0.000 0.000 0.346 4 F C 0.398 176.201 175.800 0.005 0.000 1.120 4 F CA -0.855 57.149 58.000 0.007 0.000 1.033 4 F CB 1.375 40.374 39.000 -0.002 0.000 1.126 4 F HN 0.265 nan 8.300 nan 0.000 0.462 5 R N 3.416 124.046 120.500 0.217 0.000 2.265 5 R HA 0.728 5.069 4.340 0.001 0.000 0.319 5 R C -1.849 174.493 176.300 0.070 0.000 1.006 5 R CA -0.312 55.855 56.100 0.112 0.000 0.880 5 R CB 0.997 31.343 30.300 0.076 0.000 1.077 5 R HN 0.506 nan 8.270 nan 0.000 0.454 6 V N 4.350 124.289 119.914 0.042 0.000 2.680 6 V HA 0.356 4.476 4.120 0.001 0.000 0.309 6 V C -0.611 175.483 176.094 -0.000 0.000 1.052 6 V CA -0.912 61.388 62.300 0.001 0.000 0.908 6 V CB 1.961 33.774 31.823 -0.017 0.000 1.001 6 V HN 0.742 nan 8.190 nan 0.000 0.431 7 Q N 2.375 122.168 119.800 -0.011 0.000 2.325 7 Q HA 0.704 5.045 4.340 0.001 0.000 0.270 7 Q C -0.030 175.962 176.000 -0.014 0.000 1.020 7 Q CA -0.221 55.577 55.803 -0.008 0.000 0.785 7 Q CB 2.639 31.373 28.738 -0.005 0.000 1.259 7 Q HN 1.006 nan 8.270 nan 0.000 0.452 8 G N 2.378 111.171 108.800 -0.011 0.000 2.866 8 G HA2 0.713 4.673 3.960 0.001 0.000 0.289 8 G HA3 0.713 4.673 3.960 0.001 0.000 0.289 8 G C -2.878 172.015 174.900 -0.010 0.000 1.396 8 G CA -1.135 43.956 45.100 -0.014 0.000 0.848 8 G HN 0.282 nan 8.290 nan 0.000 0.515 9 P HA 0.418 nan 4.420 nan 0.000 0.276 9 P C -0.751 176.540 177.300 -0.015 0.000 1.244 9 P CA 0.029 63.121 63.100 -0.014 0.000 0.801 9 P CB 1.853 33.546 31.700 -0.012 0.000 1.006 10 T N -0.070 114.473 114.554 -0.018 0.000 2.993 10 T HA 0.315 4.666 4.350 0.001 0.000 0.312 10 T C -1.174 173.515 174.700 -0.019 0.000 1.115 10 T CA -0.753 61.336 62.100 -0.019 0.000 1.027 10 T CB 0.958 69.813 68.868 -0.023 0.000 1.116 10 T HN 0.407 nan 8.240 nan 0.000 0.464 11 K N 5.229 125.619 120.400 -0.017 0.000 2.253 11 K HA 0.559 4.879 4.320 0.001 0.000 0.277 11 K C -0.627 175.962 176.600 -0.017 0.000 1.053 11 K CA -0.604 55.673 56.287 -0.017 0.000 0.892 11 K CB 0.328 32.820 32.500 -0.014 0.000 1.102 11 K HN 0.504 nan 8.250 nan 0.000 0.469 12 L N 6.138 127.351 121.223 -0.015 0.000 2.315 12 L HA 0.244 4.584 4.340 0.001 0.000 0.283 12 L C -0.063 176.799 176.870 -0.013 0.000 1.089 12 L CA -0.162 54.672 54.840 -0.011 0.000 0.833 12 L CB 0.535 42.597 42.059 0.005 0.000 1.170 12 L HN 0.764 nan 8.230 nan 0.000 0.442 13 Q N 2.656 122.444 119.800 -0.021 0.000 2.482 13 Q HA 0.859 5.199 4.340 0.001 0.000 0.286 13 Q C -0.305 175.672 176.000 -0.038 0.000 1.007 13 Q CA -0.577 55.210 55.803 -0.027 0.000 0.801 13 Q CB 2.809 31.530 28.738 -0.028 0.000 1.455 13 Q HN 0.644 nan 8.270 nan 0.000 0.398 14 G N 0.866 109.640 108.800 -0.043 0.000 2.250 14 G HA2 0.039 4.000 3.960 0.001 0.000 0.196 14 G HA3 0.039 4.000 3.960 0.001 0.000 0.196 14 G C -1.516 173.345 174.900 -0.065 0.000 1.308 14 G CA -0.047 45.020 45.100 -0.055 0.000 1.207 14 G HN 1.091 nan 8.290 nan 0.000 0.505 15 E N -1.873 118.278 120.200 -0.083 0.000 2.433 15 E HA 0.772 5.122 4.350 0.001 0.000 0.273 15 E C -1.510 175.004 176.600 -0.144 0.000 0.950 15 E CA -1.037 55.306 56.400 -0.095 0.000 0.796 15 E CB 2.746 32.397 29.700 -0.081 0.000 1.330 15 E HN 1.493 nan 8.360 nan 0.000 0.455 16 V N 0.513 120.329 119.914 -0.164 0.000 2.932 16 V HA 0.445 4.566 4.120 0.001 0.000 0.307 16 V C -1.373 174.626 176.094 -0.157 0.000 1.147 16 V CA -0.305 61.842 62.300 -0.255 0.000 0.951 16 V CB 2.494 33.989 31.823 -0.548 0.000 1.031 16 V HN 0.888 nan 8.190 nan 0.000 0.426 17 T N 7.442 121.916 114.554 -0.133 0.000 2.767 17 T HA 0.523 4.873 4.350 0.001 0.000 0.288 17 T C -0.159 174.520 174.700 -0.035 0.000 0.963 17 T CA -0.230 61.835 62.100 -0.059 0.000 1.019 17 T CB 0.583 69.427 68.868 -0.038 0.000 0.923 17 T HN 0.459 nan 8.240 nan 0.000 0.468 18 I N 3.275 123.854 120.570 0.013 0.000 2.496 18 I HA 0.177 4.348 4.170 0.001 0.000 0.285 18 I C 1.152 177.301 176.117 0.054 0.000 1.080 18 I CA -0.095 61.242 61.300 0.062 0.000 1.404 18 I CB 0.400 38.449 38.000 0.081 0.000 1.403 18 I HN 0.564 nan 8.210 nan 0.000 0.539 19 S N 4.082 119.827 115.700 0.076 0.000 2.624 19 S HA 0.446 4.917 4.470 0.001 0.000 0.263 19 S C 0.713 175.336 174.600 0.038 0.000 1.287 19 S CA -0.547 57.686 58.200 0.055 0.000 0.990 19 S CB 1.024 64.266 63.200 0.071 0.000 0.950 19 S HN 0.853 nan 8.310 nan 0.000 0.561 20 G N 0.196 109.008 108.800 0.020 0.000 2.491 20 G HA2 0.429 4.390 3.960 0.001 0.000 0.238 20 G HA3 0.429 4.390 3.960 0.001 0.000 0.238 20 G C -0.023 174.880 174.900 0.005 0.000 1.277 20 G CA -0.361 44.743 45.100 0.007 0.000 0.851 20 G HN 0.918 nan 8.290 nan 0.000 0.573 21 A N 1.703 124.523 122.820 0.000 0.000 2.515 21 A HA 0.211 4.532 4.320 0.001 0.000 0.263 21 A C 1.682 179.260 177.584 -0.010 0.000 1.096 21 A CA 0.309 52.342 52.037 -0.007 0.000 0.769 21 A CB 0.161 19.157 19.000 -0.008 0.000 1.040 21 A HN 0.917 nan 8.150 nan 0.000 0.505 22 K N 2.530 122.918 120.400 -0.020 0.000 2.074 22 K HA -0.207 4.113 4.320 0.001 0.000 0.209 22 K C 0.596 177.212 176.600 0.028 0.000 1.048 22 K CA 2.072 58.353 56.287 -0.011 0.000 0.926 22 K CB -0.093 32.377 32.500 -0.049 0.000 0.713 22 K HN 0.715 nan 8.250 nan 0.000 0.444 23 N N -0.112 118.608 118.700 0.033 0.000 2.449 23 N HA 0.034 4.774 4.740 0.001 0.000 0.191 23 N C 0.711 176.259 175.510 0.064 0.000 1.161 23 N CA 0.681 53.787 53.050 0.094 0.000 0.863 23 N CB 0.683 39.227 38.487 0.095 0.000 0.980 23 N HN 0.341 nan 8.380 nan 0.000 0.458 24 A N 0.118 122.945 122.820 0.012 0.000 1.963 24 A HA 0.397 4.717 4.320 0.001 0.000 0.207 24 A C 2.204 179.747 177.584 -0.070 0.000 1.243 24 A CA 0.813 52.832 52.037 -0.031 0.000 0.728 24 A CB -0.528 18.464 19.000 -0.013 0.000 0.895 24 A HN 0.178 nan 8.150 nan 0.000 0.467 25 A N 0.222 123.015 122.820 -0.046 0.000 1.873 25 A HA -0.145 4.176 4.320 0.001 0.000 0.218 25 A C 2.044 179.584 177.584 -0.073 0.000 1.193 25 A CA 1.961 53.953 52.037 -0.076 0.000 0.629 25 A CB -0.779 18.195 19.000 -0.044 0.000 0.826 25 A HN 0.402 nan 8.150 nan 0.000 0.447 26 L N -0.015 121.231 121.223 0.039 0.000 1.989 26 L HA -0.115 4.225 4.340 0.001 0.000 0.211 26 L C -0.425 176.560 176.870 0.192 0.000 1.071 26 L CA 2.694 57.648 54.840 0.190 0.000 0.749 26 L CB -1.332 40.971 42.059 0.405 0.000 0.890 26 L HN 0.243 nan 8.230 nan 0.000 0.431 27 P HA -0.119 nan 4.420 nan 0.000 0.218 27 P C 2.054 179.176 177.300 -0.297 0.000 1.149 27 P CA 1.420 64.194 63.100 -0.544 0.000 0.817 27 P CB 0.053 31.267 31.700 -0.810 0.000 0.785 28 I N -1.503 118.880 120.570 -0.312 0.000 2.202 28 I HA -0.208 3.963 4.170 0.001 0.000 0.242 28 I C 1.997 177.854 176.117 -0.434 0.000 1.091 28 I CA 1.072 62.064 61.300 -0.514 0.000 1.368 28 I CB -0.638 36.927 38.000 -0.724 0.000 1.058 28 I HN -0.132 nan 8.210 nan 0.000 0.410 29 L N -0.177 120.853 121.223 -0.322 0.000 2.079 29 L HA -0.214 4.126 4.340 0.001 0.000 0.210 29 L C 2.129 178.828 176.870 -0.285 0.000 1.081 29 L CA 2.062 56.711 54.840 -0.318 0.000 0.752 29 L CB -0.820 41.008 42.059 -0.384 0.000 0.896 29 L HN 0.111 nan 8.230 nan 0.000 0.433 30 F N -1.207 118.716 119.950 -0.046 0.000 2.293 30 F HA 0.012 4.539 4.527 0.001 0.000 0.297 30 F C 2.369 178.184 175.800 0.025 0.000 1.089 30 F CA 0.760 58.774 58.000 0.024 0.000 1.377 30 F CB -0.884 38.167 39.000 0.084 0.000 1.051 30 F HN 0.017 nan 8.300 nan 0.000 0.511 31 A N 0.042 122.939 122.820 0.128 0.000 2.067 31 A HA 0.015 4.335 4.320 0.001 0.000 0.219 31 A C 2.356 180.084 177.584 0.240 0.000 1.158 31 A CA 1.317 53.452 52.037 0.163 0.000 0.661 31 A CB -1.073 18.036 19.000 0.182 0.000 0.801 31 A HN 0.268 nan 8.150 nan 0.000 0.452 32 A N -0.108 122.835 122.820 0.206 0.000 2.019 32 A HA -0.010 4.310 4.320 0.001 0.000 0.219 32 A C 1.945 179.628 177.584 0.165 0.000 1.164 32 A CA 1.186 53.356 52.037 0.222 0.000 0.644 32 A CB -0.568 18.509 19.000 0.128 0.000 0.805 32 A HN 0.492 nan 8.150 nan 0.000 0.449 33 L N -0.732 120.594 121.223 0.172 0.000 2.349 33 L HA -0.177 4.163 4.340 0.001 0.000 0.220 33 L C 2.113 179.105 176.870 0.205 0.000 1.130 33 L CA 0.698 55.666 54.840 0.214 0.000 0.791 33 L CB -0.403 41.816 42.059 0.267 0.000 0.918 33 L HN 0.420 nan 8.230 nan 0.000 0.444 34 L N -0.671 120.636 121.223 0.139 0.000 2.341 34 L HA 0.082 4.422 4.340 0.001 0.000 0.214 34 L C 1.422 178.306 176.870 0.024 0.000 1.115 34 L CA -0.272 54.605 54.840 0.062 0.000 0.820 34 L CB -0.321 41.758 42.059 0.034 0.000 0.944 34 L HN 0.136 nan 8.230 nan 0.000 0.452 35 A N 0.238 123.090 122.820 0.053 0.000 2.388 35 A HA 0.154 4.475 4.320 0.001 0.000 0.257 35 A C 0.762 178.367 177.584 0.035 0.000 1.095 35 A CA -0.176 51.875 52.037 0.023 0.000 0.791 35 A CB 0.271 19.297 19.000 0.042 0.000 1.029 35 A HN 0.308 nan 8.150 nan 0.000 0.489 36 E N 0.479 120.685 120.200 0.010 0.000 2.498 36 E HA 0.081 4.432 4.350 0.001 0.000 0.203 36 E C -0.322 176.293 176.600 0.026 0.000 1.013 36 E CA 0.100 56.512 56.400 0.020 0.000 0.927 36 E CB 0.485 30.182 29.700 -0.005 0.000 1.012 36 E HN 0.700 nan 8.360 nan 0.000 0.482 37 E N 0.480 120.695 120.200 0.024 0.000 2.410 37 E HA 0.396 4.747 4.350 0.001 0.000 0.269 37 E C -2.651 173.977 176.600 0.046 0.000 0.937 37 E CA -2.358 54.060 56.400 0.030 0.000 0.793 37 E CB 1.242 30.952 29.700 0.017 0.000 1.314 37 E HN -0.167 nan 8.360 nan 0.000 0.447 38 P HA 0.148 nan 4.420 nan 0.000 0.271 38 P C -0.864 176.494 177.300 0.097 0.000 1.218 38 P CA -0.103 63.043 63.100 0.077 0.000 0.780 38 P CB 0.714 32.456 31.700 0.071 0.000 0.901 39 V N 2.111 122.101 119.914 0.126 0.000 2.876 39 V HA 0.419 4.539 4.120 0.001 0.000 0.312 39 V C -0.984 175.191 176.094 0.136 0.000 1.085 39 V CA -0.629 61.760 62.300 0.149 0.000 0.945 39 V CB 1.991 33.935 31.823 0.202 0.000 1.017 39 V HN 0.501 nan 8.190 nan 0.000 0.428 40 E N 4.692 124.957 120.200 0.109 0.000 2.216 40 E HA 0.496 4.846 4.350 0.001 0.000 0.260 40 E C -1.729 174.857 176.600 -0.023 0.000 0.880 40 E CA -0.681 55.688 56.400 -0.051 0.000 0.765 40 E CB 1.634 31.284 29.700 -0.083 0.000 1.174 40 E HN 0.599 nan 8.360 nan 0.000 0.417 41 I N 4.271 124.782 120.570 -0.097 0.000 2.321 41 I HA 0.146 4.317 4.170 0.001 0.000 0.291 41 I C 0.268 176.331 176.117 -0.089 0.000 0.998 41 I CA -0.148 61.116 61.300 -0.060 0.000 1.227 41 I CB 1.451 39.373 38.000 -0.129 0.000 1.368 41 I HN 0.447 nan 8.210 nan 0.000 0.466 42 Q N 3.881 123.653 119.800 -0.047 0.000 2.193 42 Q HA 0.378 4.719 4.340 0.001 0.000 0.246 42 Q C 0.292 176.264 176.000 -0.048 0.000 0.959 42 Q CA -0.863 54.904 55.803 -0.059 0.000 0.904 42 Q CB 0.721 29.428 28.738 -0.052 0.000 1.238 42 Q HN 0.551 nan 8.270 nan 0.000 0.469 43 N N -0.509 118.166 118.700 -0.042 0.000 2.740 43 N HA -0.161 4.579 4.740 0.001 0.000 0.248 43 N C -1.763 173.732 175.510 -0.025 0.000 1.062 43 N CA 0.256 53.289 53.050 -0.029 0.000 0.704 43 N CB -0.967 37.500 38.487 -0.032 0.000 0.968 43 N HN 0.337 nan 8.380 nan 0.000 0.547 44 V N 1.826 121.721 119.914 -0.031 0.000 2.432 44 V HA 0.451 4.571 4.120 0.001 0.000 0.275 44 V C -1.486 174.600 176.094 -0.013 0.000 1.043 44 V CA -1.128 61.153 62.300 -0.030 0.000 0.925 44 V CB 1.439 33.232 31.823 -0.050 0.000 0.985 44 V HN 0.214 nan 8.190 nan 0.000 0.466 45 P HA 0.193 nan 4.420 nan 0.000 0.271 45 P C -0.857 176.452 177.300 0.015 0.000 1.218 45 P CA -0.604 62.504 63.100 0.013 0.000 0.780 45 P CB 0.926 32.635 31.700 0.015 0.000 0.901 46 K N 2.367 122.784 120.400 0.029 0.000 2.150 46 K HA 0.368 4.689 4.320 0.001 0.000 0.261 46 K C -0.372 176.253 176.600 0.043 0.000 1.127 46 K CA 0.054 56.359 56.287 0.031 0.000 0.989 46 K CB -0.544 31.978 32.500 0.036 0.000 1.475 46 K HN 0.403 nan 8.250 nan 0.000 0.391 47 L N 2.021 123.264 121.223 0.033 0.000 2.371 47 L HA 0.372 4.713 4.340 0.001 0.000 0.262 47 L C 0.969 177.859 176.870 0.034 0.000 1.006 47 L CA -1.029 53.835 54.840 0.039 0.000 0.818 47 L CB 1.749 43.823 42.059 0.025 0.000 1.354 47 L HN 0.273 nan 8.230 nan 0.000 0.415 48 K N 0.631 121.057 120.400 0.042 0.000 2.147 48 K HA -0.154 4.166 4.320 0.001 0.000 0.205 48 K C 1.160 177.780 176.600 0.033 0.000 1.049 48 K CA 1.550 57.859 56.287 0.036 0.000 0.936 48 K CB 0.083 32.610 32.500 0.044 0.000 0.722 48 K HN 0.530 nan 8.250 nan 0.000 0.446 49 D N -0.612 119.810 120.400 0.038 0.000 2.178 49 D HA -0.115 4.525 4.640 0.001 0.000 0.201 49 D C 1.686 178.014 176.300 0.047 0.000 0.980 49 D CA 0.839 54.868 54.000 0.049 0.000 0.842 49 D CB 0.031 40.862 40.800 0.052 0.000 0.948 49 D HN -0.001 nan 8.370 nan 0.000 0.472 50 V N 1.157 121.085 119.914 0.023 0.000 2.358 50 V HA -0.197 3.924 4.120 0.001 0.000 0.246 50 V C 1.770 177.856 176.094 -0.013 0.000 1.047 50 V CA 1.572 63.870 62.300 -0.004 0.000 1.035 50 V CB -0.351 31.465 31.823 -0.013 0.000 0.658 50 V HN 0.086 nan 8.190 nan 0.000 0.452 51 D N 0.143 120.543 120.400 0.001 0.000 2.104 51 D HA -0.164 4.476 4.640 0.001 0.000 0.194 51 D C 2.271 178.572 176.300 0.001 0.000 0.994 51 D CA 2.047 56.046 54.000 -0.001 0.000 0.830 51 D CB -0.628 40.175 40.800 0.006 0.000 0.959 51 D HN 0.376 nan 8.370 nan 0.000 0.452 52 T N 0.285 114.849 114.554 0.017 0.000 2.759 52 T HA -0.104 4.246 4.350 0.001 0.000 0.269 52 T C 2.174 176.901 174.700 0.046 0.000 1.042 52 T CA 1.389 63.509 62.100 0.033 0.000 1.140 52 T CB -0.219 68.678 68.868 0.048 0.000 0.864 52 T HN 0.045 nan 8.240 nan 0.000 0.455 53 S N 1.192 116.908 115.700 0.027 0.000 2.355 53 S HA -0.000 4.470 4.470 0.001 0.000 0.222 53 S C 2.137 176.654 174.600 -0.138 0.000 1.031 53 S CA 1.093 59.253 58.200 -0.067 0.000 0.993 53 S CB -0.361 62.717 63.200 -0.204 0.000 0.859 53 S HN 0.424 nan 8.310 nan 0.000 0.453 54 M N 1.249 120.788 119.600 -0.101 0.000 2.080 54 M HA -0.178 4.303 4.480 0.001 0.000 0.260 54 M C 2.341 178.616 176.300 -0.042 0.000 1.068 54 M CA 1.495 56.747 55.300 -0.080 0.000 1.109 54 M CB -0.499 32.070 32.600 -0.051 0.000 1.342 54 M HN 0.217 nan 8.290 nan 0.000 0.405 55 K N 0.616 121.005 120.400 -0.018 0.000 2.074 55 K HA -0.238 4.082 4.320 0.001 0.000 0.209 55 K C 1.922 178.528 176.600 0.009 0.000 1.048 55 K CA 1.495 57.781 56.287 -0.002 0.000 0.926 55 K CB -0.209 32.294 32.500 0.006 0.000 0.713 55 K HN 0.159 nan 8.250 nan 0.000 0.444 56 L N 1.025 122.266 121.223 0.030 0.000 2.027 56 L HA -0.102 4.238 4.340 0.001 0.000 0.206 56 L C 1.937 178.835 176.870 0.047 0.000 1.074 56 L CA 1.388 56.271 54.840 0.072 0.000 0.745 56 L CB -0.659 41.508 42.059 0.180 0.000 0.898 56 L HN 0.141 nan 8.230 nan 0.000 0.433 57 L N -0.360 120.861 121.223 -0.003 0.000 1.990 57 L HA -0.242 4.099 4.340 0.001 0.000 0.213 57 L C 2.911 179.772 176.870 -0.015 0.000 1.072 57 L CA 2.194 57.022 54.840 -0.020 0.000 0.755 57 L CB -1.413 40.596 42.059 -0.083 0.000 0.889 57 L HN 0.526 nan 8.230 nan 0.000 0.432 58 S N -1.285 114.403 115.700 -0.020 0.000 2.359 58 S HA -0.315 4.155 4.470 0.001 0.000 0.224 58 S C 2.078 176.662 174.600 -0.027 0.000 1.035 58 S CA 1.771 59.959 58.200 -0.020 0.000 1.018 58 S CB -0.281 62.909 63.200 -0.016 0.000 0.876 58 S HN 0.545 nan 8.310 nan 0.000 0.448 59 Q N -0.133 119.655 119.800 -0.019 0.000 2.181 59 Q HA -0.015 4.325 4.340 0.001 0.000 0.205 59 Q C 1.958 177.922 176.000 -0.060 0.000 0.980 59 Q CA 1.426 57.212 55.803 -0.028 0.000 0.862 59 Q CB -0.185 28.550 28.738 -0.004 0.000 0.905 59 Q HN 0.613 nan 8.270 nan 0.000 0.429 60 L N -1.742 119.445 121.223 -0.059 0.000 2.478 60 L HA 0.091 4.431 4.340 0.001 0.000 0.223 60 L C 1.267 178.032 176.870 -0.175 0.000 1.140 60 L CA 0.652 55.418 54.840 -0.123 0.000 0.842 60 L CB 0.167 42.188 42.059 -0.064 0.000 0.953 60 L HN 0.521 nan 8.230 nan 0.000 0.452 61 G N -0.657 108.078 108.800 -0.108 0.000 2.192 61 G HA2 -0.162 3.799 3.960 0.001 0.000 0.193 61 G HA3 -0.162 3.799 3.960 0.001 0.000 0.193 61 G C 0.294 175.166 174.900 -0.046 0.000 0.999 61 G CA -0.183 44.860 45.100 -0.096 0.000 0.659 61 G HN 0.416 nan 8.290 nan 0.000 0.503 62 A N -0.134 122.671 122.820 -0.025 0.000 2.351 62 A HA 0.733 5.054 4.320 0.001 0.000 0.257 62 A C 0.327 177.913 177.584 0.003 0.000 1.087 62 A CA 0.215 52.255 52.037 0.005 0.000 0.798 62 A CB 0.480 19.491 19.000 0.018 0.000 1.033 62 A HN 0.298 nan 8.150 nan 0.000 0.488 63 K N 0.623 121.032 120.400 0.016 0.000 2.262 63 K HA 0.522 4.842 4.320 0.001 0.000 0.282 63 K C -1.157 175.457 176.600 0.025 0.000 1.066 63 K CA 0.103 56.399 56.287 0.015 0.000 0.901 63 K CB 1.269 33.780 32.500 0.018 0.000 1.089 63 K HN 0.395 nan 8.250 nan 0.000 0.476 64 V N 3.387 123.311 119.914 0.017 0.000 2.656 64 V HA 0.503 4.624 4.120 0.001 0.000 0.307 64 V C -0.659 175.454 176.094 0.030 0.000 1.051 64 V CA -0.911 61.403 62.300 0.023 0.000 0.893 64 V CB 1.700 33.520 31.823 -0.004 0.000 0.999 64 V HN 0.865 nan 8.190 nan 0.000 0.426 65 E N 4.020 124.256 120.200 0.060 0.000 2.390 65 E HA 0.820 5.170 4.350 0.001 0.000 0.277 65 E C -1.149 175.503 176.600 0.087 0.000 0.939 65 E CA -1.300 55.138 56.400 0.063 0.000 0.769 65 E CB 3.130 32.865 29.700 0.060 0.000 1.251 65 E HN 0.755 nan 8.360 nan 0.000 0.450 66 R N 0.693 121.229 120.500 0.060 0.000 2.668 66 R HA 0.301 4.641 4.340 0.001 0.000 0.272 66 R C -0.641 175.687 176.300 0.047 0.000 1.019 66 R CA -0.196 55.934 56.100 0.050 0.000 0.894 66 R CB 1.240 31.547 30.300 0.011 0.000 1.228 66 R HN 0.638 nan 8.270 nan 0.000 0.460 67 D N 1.894 122.321 120.400 0.046 0.000 2.074 67 D HA -0.003 4.637 4.640 0.001 0.000 0.221 67 D C 1.240 177.554 176.300 0.023 0.000 0.972 67 D CA 1.152 55.173 54.000 0.035 0.000 0.901 67 D CB -0.438 40.381 40.800 0.031 0.000 1.047 67 D HN 0.610 nan 8.370 nan 0.000 0.453 68 G N -1.644 107.162 108.800 0.010 0.000 2.944 68 G HA2 0.319 4.280 3.960 0.001 0.000 0.223 68 G HA3 0.319 4.280 3.960 0.001 0.000 0.223 68 G C 0.147 175.030 174.900 -0.029 0.000 1.071 68 G CA -0.148 44.949 45.100 -0.004 0.000 0.806 68 G HN 0.326 nan 8.290 nan 0.000 0.538 69 S N -0.864 114.808 115.700 -0.048 0.000 2.599 69 S HA 0.680 5.150 4.470 0.001 0.000 0.294 69 S C -0.976 173.530 174.600 -0.157 0.000 1.094 69 S CA -0.424 57.700 58.200 -0.126 0.000 0.931 69 S CB 2.638 65.723 63.200 -0.191 0.000 1.093 69 S HN -0.032 nan 8.310 nan 0.000 0.488 70 V N 2.996 122.784 119.914 -0.210 0.000 2.448 70 V HA 0.406 4.527 4.120 0.001 0.000 0.295 70 V C -0.791 175.153 176.094 -0.250 0.000 1.025 70 V CA -0.662 61.545 62.300 -0.155 0.000 0.859 70 V CB 1.378 33.138 31.823 -0.106 0.000 0.988 70 V HN 0.810 nan 8.190 nan 0.000 0.431 71 H N 5.389 124.458 119.070 -0.002 0.000 2.488 71 H HA 0.588 5.145 4.556 0.001 0.000 0.322 71 H C -0.746 174.585 175.328 0.005 0.000 1.078 71 H CA -0.231 55.823 56.048 0.010 0.000 1.260 71 H CB 1.956 31.725 29.762 0.012 0.000 1.425 71 H HN 0.455 nan 8.280 nan 0.000 0.471 72 I N 2.726 123.366 120.570 0.117 0.000 2.466 72 I HA 0.061 4.231 4.170 0.001 0.000 0.289 72 I C -0.322 175.848 176.117 0.088 0.000 1.026 72 I CA -0.574 60.772 61.300 0.075 0.000 1.078 72 I CB 2.126 40.151 38.000 0.040 0.000 1.249 72 I HN 0.429 nan 8.210 nan 0.000 0.429 73 D N 5.581 126.023 120.400 0.070 0.000 2.461 73 D HA 0.487 5.127 4.640 0.001 0.000 0.240 73 D C 0.053 176.392 176.300 0.065 0.000 1.094 73 D CA -0.332 53.708 54.000 0.066 0.000 0.868 73 D CB 1.925 42.755 40.800 0.050 0.000 1.062 73 D HN 0.623 nan 8.370 nan 0.000 0.530 74 A N 4.318 127.188 122.820 0.084 0.000 2.460 74 A HA 0.164 4.484 4.320 0.001 0.000 0.258 74 A C 1.768 179.435 177.584 0.138 0.000 1.300 74 A CA -0.225 51.878 52.037 0.109 0.000 0.913 74 A CB 0.004 19.084 19.000 0.134 0.000 1.031 74 A HN 0.516 nan 8.150 nan 0.000 0.512 75 R N 0.176 120.739 120.500 0.105 0.000 2.075 75 R HA -0.071 4.269 4.340 0.001 0.000 0.232 75 R C 0.056 176.435 176.300 0.133 0.000 1.126 75 R CA 1.380 57.546 56.100 0.111 0.000 0.963 75 R CB -0.031 30.312 30.300 0.073 0.000 0.858 75 R HN 0.286 nan 8.270 nan 0.000 0.435 76 D N 0.388 120.842 120.400 0.089 0.000 2.395 76 D HA 0.068 4.709 4.640 0.001 0.000 0.226 76 D C -0.471 175.839 176.300 0.017 0.000 1.146 76 D CA 0.064 54.100 54.000 0.060 0.000 0.830 76 D CB 0.300 41.116 40.800 0.026 0.000 0.958 76 D HN -0.120 nan 8.370 nan 0.000 0.501 77 V N 2.895 122.836 119.914 0.045 0.000 2.540 77 V HA -0.013 4.108 4.120 0.001 0.000 0.297 77 V C 1.246 177.143 176.094 -0.328 0.000 1.024 77 V CA 0.498 62.725 62.300 -0.121 0.000 1.105 77 V CB 0.511 32.304 31.823 -0.050 0.000 0.938 77 V HN 0.355 nan 8.190 nan 0.000 0.482 78 N N 3.363 121.749 118.700 -0.523 0.000 2.036 78 N HA 0.063 4.803 4.740 0.001 0.000 0.228 78 N C -0.535 174.351 175.510 -1.039 0.000 1.368 78 N CA 0.004 52.690 53.050 -0.605 0.000 0.846 78 N CB 0.868 39.215 38.487 -0.233 0.000 1.145 78 N HN 0.427 nan 8.380 nan 0.000 0.502 79 V N 0.681 119.941 119.914 -1.091 0.000 2.769 79 V HA 0.657 4.777 4.120 0.001 0.000 0.312 79 V C -1.228 174.235 176.094 -1.052 0.000 1.061 79 V CA -0.747 60.971 62.300 -0.971 0.000 0.931 79 V CB 1.537 33.118 31.823 -0.403 0.000 1.010 79 V HN 0.021 nan 8.190 nan 0.000 0.433 80 F N 4.145 124.026 119.950 -0.114 0.000 2.814 80 F HA 0.479 5.006 4.527 0.001 0.000 0.326 80 F C 0.148 175.931 175.800 -0.027 0.000 1.159 80 F CA -0.369 57.577 58.000 -0.090 0.000 1.234 80 F CB 0.670 39.612 39.000 -0.096 0.000 1.016 80 F HN 0.487 nan 8.300 nan 0.000 0.510 81 C N 1.814 121.150 119.300 0.061 0.000 2.396 81 C HA 0.870 5.330 4.460 0.001 0.000 0.321 81 C C 0.008 175.051 174.990 0.089 0.000 1.233 81 C CA -0.435 58.622 59.018 0.065 0.000 1.440 81 C CB -0.081 27.644 27.740 -0.024 0.000 2.110 81 C HN 0.454 nan 8.230 nan 0.000 0.473 82 A N 8.699 131.609 122.820 0.149 0.000 2.294 82 A HA 0.686 5.006 4.320 0.001 0.000 0.316 82 A C -2.457 175.271 177.584 0.240 0.000 1.359 82 A CA -1.078 51.053 52.037 0.156 0.000 0.956 82 A CB 0.104 19.180 19.000 0.127 0.000 1.155 82 A HN 0.798 nan 8.150 nan 0.000 0.544 83 P HA 0.027 nan 4.420 nan 0.000 0.277 83 P C 0.455 177.907 177.300 0.254 0.000 1.240 83 P CA -0.179 63.123 63.100 0.337 0.000 0.798 83 P CB 0.718 32.538 31.700 0.200 0.000 0.979 84 Y N 2.649 123.036 120.300 0.144 0.000 2.062 84 Y HA -0.362 4.189 4.550 0.001 0.000 0.273 84 Y C 1.866 177.765 175.900 -0.002 0.000 1.206 84 Y CA 2.492 60.574 58.100 -0.029 0.000 1.125 84 Y CB -0.848 37.579 38.460 -0.055 0.000 0.951 84 Y HN 0.310 nan 8.280 nan 0.000 0.501 85 D N -0.212 120.252 120.400 0.106 0.000 2.190 85 D HA -0.177 4.463 4.640 0.001 0.000 0.200 85 D C 2.072 178.327 176.300 -0.075 0.000 0.992 85 D CA 1.508 55.510 54.000 0.004 0.000 0.854 85 D CB -0.247 40.600 40.800 0.079 0.000 0.936 85 D HN 0.390 nan 8.370 nan 0.000 0.462 86 L N -0.437 120.761 121.223 -0.040 0.000 2.130 86 L HA -0.057 4.284 4.340 0.001 0.000 0.200 86 L C 2.466 179.286 176.870 -0.084 0.000 1.075 86 L CA 0.470 55.289 54.840 -0.035 0.000 0.768 86 L CB -0.312 41.762 42.059 0.025 0.000 0.933 86 L HN -0.135 nan 8.230 nan 0.000 0.451 87 V N 0.870 120.719 119.914 -0.109 0.000 2.324 87 V HA -0.360 3.760 4.120 0.001 0.000 0.250 87 V C 2.514 178.477 176.094 -0.218 0.000 1.060 87 V CA 2.251 64.462 62.300 -0.148 0.000 1.042 87 V CB -1.048 30.682 31.823 -0.155 0.000 0.650 87 V HN 0.621 nan 8.190 nan 0.000 0.450 88 K N 1.343 121.532 120.400 -0.351 0.000 2.209 88 K HA -0.204 4.117 4.320 0.001 0.000 0.204 88 K C 1.865 178.344 176.600 -0.201 0.000 1.048 88 K CA 1.959 58.021 56.287 -0.374 0.000 0.940 88 K CB -0.653 31.468 32.500 -0.631 0.000 0.729 88 K HN 0.612 nan 8.250 nan 0.000 0.451 89 T N -2.082 112.383 114.554 -0.148 0.000 3.081 89 T HA 0.109 4.459 4.350 0.001 0.000 0.255 89 T C 0.753 175.423 174.700 -0.051 0.000 1.113 89 T CA -0.063 61.989 62.100 -0.080 0.000 1.082 89 T CB -0.009 68.822 68.868 -0.061 0.000 0.939 89 T HN 0.297 nan 8.240 nan 0.000 0.506 90 M N 1.974 121.533 119.600 -0.068 0.000 2.380 90 M HA 0.307 4.787 4.480 0.001 0.000 0.202 90 M C 0.568 176.807 176.300 -0.102 0.000 0.975 90 M CA -0.630 54.638 55.300 -0.054 0.000 0.971 90 M CB 1.216 33.819 32.600 0.004 0.000 2.685 90 M HN 0.156 nan 8.290 nan 0.000 0.431 91 R N 1.699 122.113 120.500 -0.145 0.000 2.293 91 R HA 0.020 4.361 4.340 0.001 0.000 0.219 91 R C 1.055 177.175 176.300 -0.301 0.000 1.091 91 R CA 1.463 57.439 56.100 -0.206 0.000 1.004 91 R CB -0.401 29.779 30.300 -0.201 0.000 0.865 91 R HN 0.637 nan 8.270 nan 0.000 0.469 92 A N 1.271 123.913 122.820 -0.297 0.000 2.121 92 A HA -0.056 4.265 4.320 0.001 0.000 0.218 92 A C 2.076 179.394 177.584 -0.443 0.000 1.154 92 A CA 1.233 52.989 52.037 -0.469 0.000 0.679 92 A CB -0.353 18.477 19.000 -0.284 0.000 0.795 92 A HN 0.425 nan 8.150 nan 0.000 0.458 93 S N -0.168 115.374 115.700 -0.264 0.000 2.407 93 S HA -0.239 4.232 4.470 0.001 0.000 0.235 93 S C 1.691 176.068 174.600 -0.373 0.000 1.036 93 S CA 1.511 59.547 58.200 -0.273 0.000 1.013 93 S CB -0.508 62.654 63.200 -0.064 0.000 0.820 93 S HN 0.622 nan 8.310 nan 0.000 0.476 94 I N 0.831 121.191 120.570 -0.350 0.000 2.502 94 I HA -0.164 4.006 4.170 0.001 0.000 0.258 94 I C 1.524 177.515 176.117 -0.209 0.000 1.172 94 I CA 0.986 62.109 61.300 -0.295 0.000 1.430 94 I CB -0.376 37.370 38.000 -0.424 0.000 1.086 94 I HN 0.390 nan 8.210 nan 0.000 0.440 95 W N 0.581 121.609 121.300 -0.453 0.000 2.611 95 W HA 0.011 4.671 4.660 -0.000 0.000 0.251 95 W C 2.440 178.767 176.519 -0.319 0.000 1.265 95 W CA 0.898 58.005 57.345 -0.396 0.000 1.295 95 W CB -1.135 28.018 29.460 -0.512 0.000 1.129 95 W HN 0.311 nan 8.180 nan 0.000 0.630 96 A N -0.145 122.586 122.820 -0.148 0.000 1.969 96 A HA -0.158 4.163 4.320 0.001 0.000 0.218 96 A C 1.972 179.653 177.584 0.162 0.000 1.169 96 A CA 1.281 53.392 52.037 0.125 0.000 0.635 96 A CB -0.795 18.311 19.000 0.176 0.000 0.810 96 A HN 0.144 nan 8.150 nan 0.000 0.445 97 L N 0.309 121.603 121.223 0.117 0.000 1.978 97 L HA -0.156 4.185 4.340 0.001 0.000 0.218 97 L C 2.460 179.420 176.870 0.150 0.000 1.075 97 L CA 2.573 57.491 54.840 0.130 0.000 0.767 97 L CB -1.293 40.825 42.059 0.100 0.000 0.890 97 L HN 0.336 nan 8.230 nan 0.000 0.434 98 G N -0.790 108.107 108.800 0.161 0.000 2.586 98 G HA2 -0.265 3.695 3.960 0.001 0.000 0.218 98 G HA3 -0.265 3.695 3.960 0.001 0.000 0.218 98 G C -0.604 174.378 174.900 0.137 0.000 1.216 98 G CA 1.105 46.291 45.100 0.143 0.000 0.786 98 G HN 0.410 nan 8.290 nan 0.000 0.583 99 P HA -0.043 nan 4.420 nan 0.000 0.215 99 P C 2.171 179.603 177.300 0.220 0.000 1.153 99 P CA 0.724 63.925 63.100 0.168 0.000 0.853 99 P CB -0.147 31.676 31.700 0.205 0.000 0.788 100 L N -1.120 120.268 121.223 0.275 0.000 2.012 100 L HA -0.169 4.171 4.340 0.001 0.000 0.210 100 L C 2.330 179.365 176.870 0.275 0.000 1.073 100 L CA 1.587 56.652 54.840 0.375 0.000 0.748 100 L CB -1.146 41.101 42.059 0.314 0.000 0.891 100 L HN -0.104 nan 8.230 nan 0.000 0.431 101 V N -0.119 119.890 119.914 0.160 0.000 2.427 101 V HA -0.228 3.892 4.120 0.001 0.000 0.248 101 V C 2.729 178.858 176.094 0.057 0.000 1.051 101 V CA 1.620 63.974 62.300 0.089 0.000 1.048 101 V CB -0.868 30.998 31.823 0.072 0.000 0.666 101 V HN 0.465 nan 8.190 nan 0.000 0.456 102 A N 0.027 122.883 122.820 0.059 0.000 1.902 102 A HA -0.239 4.081 4.320 0.001 0.000 0.217 102 A C 2.429 179.987 177.584 -0.044 0.000 1.181 102 A CA 2.200 54.245 52.037 0.013 0.000 0.623 102 A CB -0.422 18.590 19.000 0.019 0.000 0.818 102 A HN 0.503 nan 8.150 nan 0.000 0.443 103 R N -2.480 117.977 120.500 -0.071 0.000 2.105 103 R HA 0.150 4.491 4.340 0.001 0.000 0.214 103 R C 0.858 176.867 176.300 -0.484 0.000 1.091 103 R CA 0.894 56.803 56.100 -0.319 0.000 1.007 103 R CB 0.000 30.012 30.300 -0.480 0.000 0.912 103 R HN 0.459 nan 8.270 nan 0.000 0.450 104 F N -0.881 119.049 119.950 -0.034 0.000 2.682 104 F HA 0.403 4.930 4.527 0.000 0.000 0.308 104 F C 1.329 177.005 175.800 -0.207 0.000 1.093 104 F CA 0.373 58.290 58.000 -0.138 0.000 1.244 104 F CB 1.404 40.245 39.000 -0.264 0.000 1.052 104 F HN 0.278 nan 8.300 nan 0.000 0.573 105 G N 1.015 109.815 108.800 -0.000 0.000 2.184 105 G HA2 -0.268 3.692 3.960 0.001 0.000 0.264 105 G HA3 -0.268 3.692 3.960 0.001 0.000 0.264 105 G C 0.095 174.962 174.900 -0.055 0.000 0.975 105 G CA 0.520 45.601 45.100 -0.032 0.000 0.642 105 G HN 0.512 nan 8.290 nan 0.000 0.536 106 Q N -1.552 118.190 119.800 -0.096 0.000 2.511 106 Q HA 0.716 5.056 4.340 0.001 0.000 0.289 106 Q C -0.387 175.593 176.000 -0.035 0.000 1.021 106 Q CA -0.737 55.004 55.803 -0.103 0.000 0.785 106 Q CB 2.111 30.731 28.738 -0.197 0.000 1.472 106 Q HN 1.501 nan 8.270 nan 0.000 0.411 107 G N 0.924 109.745 108.800 0.035 0.000 2.717 107 G HA2 0.450 4.411 3.960 0.001 0.000 0.300 107 G HA3 0.450 4.411 3.960 0.001 0.000 0.300 107 G C -2.016 172.949 174.900 0.108 0.000 1.424 107 G CA -0.615 44.553 45.100 0.113 0.000 1.033 107 G HN 0.352 nan 8.290 nan 0.000 0.577 108 Q N 0.349 120.227 119.800 0.130 0.000 2.320 108 Q HA 0.640 4.981 4.340 0.001 0.000 0.268 108 Q C -0.474 175.648 176.000 0.204 0.000 1.023 108 Q CA -0.624 55.259 55.803 0.134 0.000 0.744 108 Q CB 2.765 31.528 28.738 0.042 0.000 1.246 108 Q HN 0.474 nan 8.270 nan 0.000 0.462 109 V N 1.179 121.229 119.914 0.225 0.000 2.540 109 V HA 0.498 4.619 4.120 0.001 0.000 0.302 109 V C -0.101 176.100 176.094 0.179 0.000 1.035 109 V CA -0.926 61.495 62.300 0.202 0.000 0.873 109 V CB 2.170 34.040 31.823 0.079 0.000 0.992 109 V HN 0.776 nan 8.190 nan 0.000 0.428 110 S N 4.734 120.480 115.700 0.076 0.000 2.537 110 S HA 0.181 4.651 4.470 0.001 0.000 0.286 110 S C -0.121 174.383 174.600 -0.159 0.000 1.299 110 S CA -0.415 57.614 58.200 -0.285 0.000 1.067 110 S CB 0.151 63.158 63.200 -0.322 0.000 0.864 110 S HN 0.608 nan 8.310 nan 0.000 0.494 111 L N 7.172 128.302 121.223 -0.156 0.000 2.433 111 L HA 0.353 4.693 4.340 0.001 0.000 0.275 111 L C -2.073 174.735 176.870 -0.104 0.000 1.128 111 L CA -1.409 53.368 54.840 -0.105 0.000 0.875 111 L CB 0.259 42.275 42.059 -0.072 0.000 1.171 111 L HN 0.564 nan 8.230 nan 0.000 0.463 112 P HA 0.146 nan 4.420 nan 0.000 0.265 112 P C 0.188 177.438 177.300 -0.083 0.000 1.193 112 P CA -0.065 62.960 63.100 -0.126 0.000 0.765 112 P CB 0.752 32.358 31.700 -0.157 0.000 0.823 113 G N 1.887 110.646 108.800 -0.068 0.000 2.829 113 G HA2 0.492 4.453 3.960 0.001 0.000 0.173 113 G HA3 0.492 4.453 3.960 0.001 0.000 0.173 113 G C 0.046 174.919 174.900 -0.045 0.000 1.476 113 G CA -0.442 44.637 45.100 -0.035 0.000 1.072 113 G HN 0.614 nan 8.290 nan 0.000 0.577 114 G N -1.600 107.183 108.800 -0.029 0.000 2.442 114 G HA2 0.400 4.360 3.960 0.001 0.000 0.249 114 G HA3 0.400 4.360 3.960 0.001 0.000 0.249 114 G C -0.425 174.447 174.900 -0.047 0.000 1.263 114 G CA 0.099 45.181 45.100 -0.030 0.000 0.846 114 G HN 0.664 nan 8.290 nan 0.000 0.555 115 C N 2.324 121.589 119.300 -0.058 0.000 2.493 115 C HA 0.630 5.090 4.460 0.001 0.000 0.326 115 C C 2.075 177.019 174.990 -0.078 0.000 1.200 115 C CA 0.141 59.110 59.018 -0.082 0.000 1.739 115 C CB 0.909 28.573 27.740 -0.127 0.000 2.300 115 C HN 0.977 nan 8.230 nan 0.000 0.500 116 T N 1.875 116.380 114.554 -0.082 0.000 2.929 116 T HA -0.169 4.181 4.350 0.001 0.000 0.271 116 T C 1.416 176.060 174.700 -0.093 0.000 1.085 116 T CA 1.770 63.826 62.100 -0.073 0.000 1.125 116 T CB -0.411 68.414 68.868 -0.072 0.000 0.874 116 T HN 0.870 nan 8.240 nan 0.000 0.494 117 I N -1.354 119.122 120.570 -0.157 0.000 3.251 117 I HA 0.518 4.689 4.170 0.001 0.000 0.277 117 I C 0.947 176.998 176.117 -0.111 0.000 1.268 117 I CA 0.205 61.391 61.300 -0.191 0.000 1.449 117 I CB -0.474 37.296 38.000 -0.383 0.000 1.083 117 I HN 0.459 nan 8.210 nan 0.000 0.464 118 G N 0.992 109.754 108.800 -0.064 0.000 2.362 118 G HA2 0.350 4.310 3.960 0.001 0.000 0.288 118 G HA3 0.350 4.310 3.960 0.001 0.000 0.288 118 G C -1.128 173.795 174.900 0.038 0.000 1.305 118 G CA -0.417 44.699 45.100 0.026 0.000 0.910 118 G HN 0.486 nan 8.290 nan 0.000 0.518 119 A N -0.040 122.823 122.820 0.072 0.000 2.492 119 A HA 0.649 4.969 4.320 0.001 0.000 0.254 119 A C 0.735 178.374 177.584 0.091 0.000 1.091 119 A CA 0.336 52.408 52.037 0.059 0.000 0.768 119 A CB 0.064 19.095 19.000 0.052 0.000 1.028 119 A HN 0.626 nan 8.150 nan 0.000 0.498 120 R N 3.042 123.574 120.500 0.053 0.000 2.674 120 R HA 0.216 4.557 4.340 0.001 0.000 0.270 120 R C -2.678 173.632 176.300 0.016 0.000 1.492 120 R CA -1.053 55.084 56.100 0.061 0.000 1.624 120 R CB 0.760 31.084 30.300 0.040 0.000 1.307 120 R HN 0.676 nan 8.270 nan 0.000 0.683 121 P HA 0.055 nan 4.420 nan 0.000 0.272 121 P C 0.693 178.005 177.300 0.020 0.000 1.230 121 P CA -0.097 63.009 63.100 0.010 0.000 0.788 121 P CB 1.205 32.917 31.700 0.021 0.000 0.949 122 V N -2.384 117.532 119.914 0.004 0.000 3.085 122 V HA 0.075 4.195 4.120 0.001 0.000 0.345 122 V C 1.382 177.544 176.094 0.113 0.000 1.397 122 V CA 0.124 62.448 62.300 0.040 0.000 1.165 122 V CB -0.524 31.180 31.823 -0.199 0.000 1.153 122 V HN 0.534 nan 8.190 nan 0.000 0.495 123 D N 1.546 121.991 120.400 0.075 0.000 2.172 123 D HA -0.291 4.349 4.640 0.001 0.000 0.196 123 D C 1.741 178.088 176.300 0.078 0.000 0.999 123 D CA 1.846 55.884 54.000 0.063 0.000 0.856 123 D CB -0.120 40.703 40.800 0.038 0.000 0.934 123 D HN 0.546 nan 8.370 nan 0.000 0.453 124 L N -0.145 121.132 121.223 0.090 0.000 2.156 124 L HA -0.102 4.239 4.340 0.001 0.000 0.208 124 L C 2.817 179.705 176.870 0.030 0.000 1.095 124 L CA 0.852 55.714 54.840 0.035 0.000 0.770 124 L CB -0.574 41.478 42.059 -0.012 0.000 0.914 124 L HN 0.134 nan 8.230 nan 0.000 0.439 125 H N -0.007 119.073 119.070 0.017 0.000 2.299 125 H HA -0.122 4.435 4.556 0.001 0.000 0.302 125 H C 2.451 177.796 175.328 0.028 0.000 1.078 125 H CA 1.708 57.775 56.048 0.031 0.000 1.323 125 H CB 0.068 29.843 29.762 0.022 0.000 1.381 125 H HN 0.298 nan 8.280 nan 0.000 0.498 126 I N 0.401 121.070 120.570 0.165 0.000 2.127 126 I HA -0.299 3.872 4.170 0.001 0.000 0.241 126 I C 2.941 179.096 176.117 0.064 0.000 1.075 126 I CA 1.315 62.671 61.300 0.093 0.000 1.334 126 I CB -0.328 37.711 38.000 0.065 0.000 1.040 126 I HN 0.172 nan 8.210 nan 0.000 0.405 127 S N 0.921 116.652 115.700 0.051 0.000 2.370 127 S HA -0.170 4.300 4.470 0.001 0.000 0.226 127 S C 2.160 176.773 174.600 0.022 0.000 1.033 127 S CA 1.763 59.981 58.200 0.029 0.000 1.011 127 S CB -0.827 62.384 63.200 0.019 0.000 0.852 127 S HN 0.556 nan 8.310 nan 0.000 0.457 128 G N 1.376 110.188 108.800 0.019 0.000 2.440 128 G HA2 -0.111 3.849 3.960 0.001 0.000 0.218 128 G HA3 -0.111 3.849 3.960 0.001 0.000 0.218 128 G C 1.478 176.392 174.900 0.024 0.000 1.154 128 G CA 0.973 46.078 45.100 0.010 0.000 0.767 128 G HN 0.531 nan 8.290 nan 0.000 0.552 129 L N -0.140 121.108 121.223 0.042 0.000 2.109 129 L HA 0.002 4.342 4.340 0.001 0.000 0.207 129 L C 2.879 179.770 176.870 0.035 0.000 1.086 129 L CA 1.010 55.877 54.840 0.046 0.000 0.760 129 L CB -0.389 41.709 42.059 0.065 0.000 0.910 129 L HN 0.287 nan 8.230 nan 0.000 0.437 130 E N -0.226 119.993 120.200 0.032 0.000 2.110 130 E HA -0.293 4.057 4.350 0.001 0.000 0.193 130 E C 2.136 178.748 176.600 0.019 0.000 0.988 130 E CA 1.039 57.454 56.400 0.025 0.000 0.804 130 E CB -0.033 29.681 29.700 0.023 0.000 0.745 130 E HN 0.457 nan 8.360 nan 0.000 0.458 131 Q N 0.115 119.925 119.800 0.017 0.000 2.297 131 Q HA -0.031 4.309 4.340 0.001 0.000 0.204 131 Q C 1.545 177.555 176.000 0.015 0.000 0.962 131 Q CA 0.514 56.325 55.803 0.012 0.000 0.879 131 Q CB 0.240 28.981 28.738 0.005 0.000 0.947 131 Q HN 0.273 nan 8.270 nan 0.000 0.462 132 L N -1.164 120.070 121.223 0.018 0.000 2.629 132 L HA 0.193 4.533 4.340 0.001 0.000 0.230 132 L C 0.921 177.800 176.870 0.016 0.000 1.151 132 L CA 0.468 55.319 54.840 0.018 0.000 0.924 132 L CB 0.268 42.339 42.059 0.020 0.000 1.137 132 L HN 0.441 nan 8.230 nan 0.000 0.457 133 G N -0.230 108.579 108.800 0.016 0.000 2.176 133 G HA2 -0.244 3.717 3.960 0.001 0.000 0.232 133 G HA3 -0.244 3.717 3.960 0.001 0.000 0.232 133 G C 0.396 175.305 174.900 0.014 0.000 0.986 133 G CA -0.038 45.070 45.100 0.013 0.000 0.643 133 G HN 0.463 nan 8.290 nan 0.000 0.522 134 A N 0.136 122.967 122.820 0.019 0.000 2.371 134 A HA 0.701 5.021 4.320 0.001 0.000 0.257 134 A C 0.603 178.200 177.584 0.021 0.000 1.089 134 A CA 1.048 53.097 52.037 0.021 0.000 0.794 134 A CB 0.488 19.506 19.000 0.031 0.000 1.029 134 A HN 0.719 nan 8.150 nan 0.000 0.488 135 T N 2.503 117.068 114.554 0.019 0.000 2.795 135 T HA 0.558 4.908 4.350 0.001 0.000 0.282 135 T C -0.266 174.449 174.700 0.025 0.000 0.980 135 T CA 0.169 62.280 62.100 0.019 0.000 1.012 135 T CB 0.221 69.097 68.868 0.014 0.000 0.936 135 T HN 0.412 nan 8.240 nan 0.000 0.457 136 I N 4.037 124.624 120.570 0.028 0.000 2.466 136 I HA 0.472 4.642 4.170 0.001 0.000 0.289 136 I C -0.150 175.987 176.117 0.032 0.000 1.026 136 I CA -1.004 60.317 61.300 0.034 0.000 1.078 136 I CB 1.925 39.949 38.000 0.039 0.000 1.249 136 I HN 0.587 nan 8.210 nan 0.000 0.429 137 K N 5.588 126.010 120.400 0.037 0.000 2.444 137 K HA 0.769 5.090 4.320 0.001 0.000 0.252 137 K C -1.695 174.934 176.600 0.048 0.000 0.993 137 K CA -0.969 55.340 56.287 0.037 0.000 0.847 137 K CB 2.743 35.262 32.500 0.032 0.000 1.340 137 K HN 0.374 nan 8.250 nan 0.000 0.446 138 L N 1.985 123.234 121.223 0.044 0.000 2.316 138 L HA 0.379 4.719 4.340 0.001 0.000 0.280 138 L C -1.437 175.467 176.870 0.056 0.000 1.006 138 L CA 0.163 55.034 54.840 0.052 0.000 0.836 138 L CB 0.989 43.069 42.059 0.033 0.000 1.221 138 L HN 0.855 nan 8.230 nan 0.000 0.418 139 E N 2.928 123.180 120.200 0.086 0.000 2.292 139 E HA 0.431 4.782 4.350 0.001 0.000 0.272 139 E C -0.753 175.928 176.600 0.136 0.000 0.881 139 E CA -0.750 55.699 56.400 0.083 0.000 0.754 139 E CB 1.282 31.019 29.700 0.062 0.000 1.201 139 E HN 0.578 nan 8.360 nan 0.000 0.425 140 E N 1.009 121.270 120.200 0.101 0.000 2.722 140 E HA -0.307 4.044 4.350 0.001 0.000 0.265 140 E C 0.718 177.383 176.600 0.109 0.000 1.081 140 E CA 0.626 57.100 56.400 0.123 0.000 0.781 140 E CB -1.705 28.105 29.700 0.184 0.000 1.372 140 E HN 1.162 nan 8.360 nan 0.000 0.423 141 G N -1.164 107.650 108.800 0.024 0.000 2.179 141 G HA2 -0.371 3.589 3.960 0.001 0.000 0.260 141 G HA3 -0.371 3.589 3.960 0.001 0.000 0.260 141 G C -0.146 174.640 174.900 -0.190 0.000 0.977 141 G CA 0.635 45.676 45.100 -0.098 0.000 0.641 141 G HN 0.344 nan 8.290 nan 0.000 0.533 142 Y N -0.450 119.866 120.300 0.027 0.000 2.330 142 Y HA 0.503 5.054 4.550 0.001 0.000 0.336 142 Y C 0.702 176.616 175.900 0.024 0.000 1.036 142 Y CA -0.384 57.735 58.100 0.033 0.000 1.125 142 Y CB 2.025 40.507 38.460 0.036 0.000 1.194 142 Y HN 0.342 nan 8.280 nan 0.000 0.469 143 V N 5.082 125.085 119.914 0.147 0.000 2.389 143 V HA 0.320 4.440 4.120 0.001 0.000 0.264 143 V C -0.651 175.516 176.094 0.122 0.000 1.049 143 V CA -0.580 61.781 62.300 0.100 0.000 0.932 143 V CB -0.019 31.835 31.823 0.052 0.000 1.011 143 V HN 0.705 nan 8.190 nan 0.000 0.475 144 K N 6.337 126.797 120.400 0.100 0.000 2.293 144 K HA 0.747 5.068 4.320 0.001 0.000 0.267 144 K C -0.270 176.364 176.600 0.058 0.000 1.010 144 K CA -0.218 56.118 56.287 0.081 0.000 0.875 144 K CB 1.886 34.426 32.500 0.067 0.000 1.106 144 K HN 0.883 nan 8.250 nan 0.000 0.450 145 A N 1.982 124.836 122.820 0.056 0.000 2.337 145 A HA 0.722 5.042 4.320 0.001 0.000 0.329 145 A C -0.545 177.056 177.584 0.028 0.000 1.146 145 A CA -0.600 51.464 52.037 0.045 0.000 0.800 145 A CB 1.070 20.104 19.000 0.057 0.000 1.220 145 A HN 0.691 nan 8.150 nan 0.000 0.472 146 S N -0.153 115.558 115.700 0.018 0.000 2.550 146 S HA 0.726 5.196 4.470 0.001 0.000 0.270 146 S C -1.329 173.273 174.600 0.004 0.000 1.145 146 S CA -0.599 57.603 58.200 0.002 0.000 0.852 146 S CB 1.296 64.494 63.200 -0.004 0.000 1.119 146 S HN 2.009 nan 8.310 nan 0.000 0.465 147 V N 1.115 121.026 119.914 -0.005 0.000 2.777 147 V HA 0.513 4.633 4.120 0.001 0.000 0.306 147 V C -1.720 174.368 176.094 -0.010 0.000 1.112 147 V CA -0.550 61.748 62.300 -0.003 0.000 0.917 147 V CB 1.953 33.776 31.823 0.000 0.000 1.018 147 V HN 1.098 nan 8.190 nan 0.000 0.426 148 D N 4.964 125.360 120.400 -0.007 0.000 2.359 148 D HA 0.560 5.201 4.640 0.001 0.000 0.250 148 D C 0.699 176.993 176.300 -0.010 0.000 1.264 148 D CA 2.199 56.194 54.000 -0.009 0.000 0.911 148 D CB 0.613 41.410 40.800 -0.005 0.000 1.056 148 D HN 1.313 nan 8.370 nan 0.000 0.499 149 G N 4.229 113.020 108.800 -0.015 0.000 2.520 149 G HA2 -0.198 3.762 3.960 0.001 0.000 0.248 149 G HA3 -0.198 3.762 3.960 0.001 0.000 0.248 149 G C -0.311 174.577 174.900 -0.021 0.000 1.161 149 G CA -0.034 45.056 45.100 -0.017 0.000 0.946 149 G HN 0.729 nan 8.290 nan 0.000 0.565 150 R N -0.283 120.205 120.500 -0.020 0.000 2.902 150 R HA 0.804 5.144 4.340 0.001 0.000 0.258 150 R C 0.164 176.457 176.300 -0.012 0.000 1.071 150 R CA -1.064 55.023 56.100 -0.021 0.000 1.024 150 R CB 1.161 31.444 30.300 -0.028 0.000 1.184 150 R HN 0.512 nan 8.270 nan 0.000 0.492 151 L N 0.891 122.109 121.223 -0.008 0.000 2.476 151 L HA 0.248 4.589 4.340 0.001 0.000 0.264 151 L C 0.343 177.212 176.870 -0.001 0.000 1.224 151 L CA -0.006 54.834 54.840 -0.000 0.000 0.821 151 L CB 0.205 42.267 42.059 0.005 0.000 1.101 151 L HN 0.441 nan 8.230 nan 0.000 0.488 152 K N 0.602 121.004 120.400 0.004 0.000 2.345 152 K HA 0.371 4.691 4.320 0.001 0.000 0.255 152 K C -0.136 176.470 176.600 0.009 0.000 0.934 152 K CA -0.673 55.616 56.287 0.004 0.000 0.801 152 K CB 1.832 34.335 32.500 0.005 0.000 1.137 152 K HN 0.746 nan 8.250 nan 0.000 0.424 153 G N 1.251 110.056 108.800 0.008 0.000 2.474 153 G HA2 0.329 4.290 3.960 0.001 0.000 0.233 153 G HA3 0.329 4.290 3.960 0.001 0.000 0.233 153 G C -0.527 174.388 174.900 0.025 0.000 1.278 153 G CA -0.059 45.050 45.100 0.014 0.000 0.861 153 G HN 0.629 nan 8.290 nan 0.000 0.567 154 A N 1.414 124.257 122.820 0.039 0.000 2.609 154 A HA 0.647 4.968 4.320 0.001 0.000 0.291 154 A C -0.790 176.860 177.584 0.110 0.000 1.096 154 A CA -0.715 51.358 52.037 0.060 0.000 0.684 154 A CB 1.124 20.149 19.000 0.042 0.000 1.282 154 A HN 0.912 nan 8.150 nan 0.000 0.412 155 H N 1.234 120.303 119.070 -0.002 0.000 2.761 155 H HA 0.545 5.101 4.556 -0.001 0.000 0.284 155 H C -1.084 174.243 175.328 -0.001 0.000 1.105 155 H CA -0.152 55.895 56.048 -0.002 0.000 1.352 155 H CB 0.166 29.927 29.762 -0.002 0.000 1.423 155 H HN 0.442 nan 8.280 nan 0.000 0.464 156 I N 6.476 126.966 120.570 -0.134 0.000 2.382 156 I HA 0.136 4.306 4.170 0.001 0.000 0.286 156 I C -0.421 175.567 176.117 -0.215 0.000 1.002 156 I CA -0.917 60.296 61.300 -0.146 0.000 1.135 156 I CB 1.840 39.806 38.000 -0.056 0.000 1.288 156 I HN 0.267 nan 8.210 nan 0.000 0.448 157 V N 6.835 126.615 119.914 -0.224 0.000 2.350 157 V HA 0.345 4.466 4.120 0.001 0.000 0.276 157 V C 0.493 176.529 176.094 -0.097 0.000 1.028 157 V CA -0.515 61.678 62.300 -0.177 0.000 0.860 157 V CB 1.292 33.004 31.823 -0.186 0.000 0.990 157 V HN 0.644 nan 8.190 nan 0.000 0.453 158 M N 2.994 122.550 119.600 -0.072 0.000 2.162 158 M HA 0.221 4.701 4.480 0.001 0.000 0.356 158 M C 1.090 177.365 176.300 -0.040 0.000 1.303 158 M CA -0.147 55.122 55.300 -0.051 0.000 1.116 158 M CB 0.760 33.333 32.600 -0.044 0.000 1.632 158 M HN 0.621 nan 8.290 nan 0.000 0.469 159 D N 2.998 123.378 120.400 -0.033 0.000 2.097 159 D HA -0.082 4.558 4.640 0.001 0.000 0.195 159 D C 0.306 176.593 176.300 -0.022 0.000 0.989 159 D CA 1.482 55.468 54.000 -0.024 0.000 0.827 159 D CB 0.562 41.351 40.800 -0.017 0.000 0.966 159 D HN 0.615 nan 8.370 nan 0.000 0.456 160 K N -0.941 119.445 120.400 -0.023 0.000 2.409 160 K HA 0.490 4.810 4.320 0.001 0.000 0.252 160 K C -0.745 175.839 176.600 -0.027 0.000 1.036 160 K CA -0.894 55.379 56.287 -0.024 0.000 0.871 160 K CB 1.935 34.420 32.500 -0.024 0.000 1.374 160 K HN -0.342 nan 8.250 nan 0.000 0.459 161 V N 1.577 121.475 119.914 -0.027 0.000 2.439 161 V HA 0.167 4.287 4.120 0.001 0.000 0.271 161 V C -0.281 175.796 176.094 -0.028 0.000 1.040 161 V CA 0.043 62.328 62.300 -0.024 0.000 1.002 161 V CB 0.671 32.482 31.823 -0.020 0.000 1.000 161 V HN 0.784 nan 8.190 nan 0.000 0.477 162 S N 4.288 119.976 115.700 -0.020 0.000 2.672 162 S HA 0.388 4.859 4.470 0.001 0.000 0.291 162 S C 0.499 175.110 174.600 0.019 0.000 1.145 162 S CA -0.625 57.568 58.200 -0.011 0.000 1.013 162 S CB 1.900 65.084 63.200 -0.027 0.000 1.017 162 S HN 0.305 nan 8.310 nan 0.000 0.487 163 V N 5.334 125.284 119.914 0.060 0.000 2.295 163 V HA -0.014 4.106 4.120 0.001 0.000 0.246 163 V C 2.661 178.887 176.094 0.220 0.000 1.049 163 V CA 2.591 64.966 62.300 0.125 0.000 1.024 163 V CB -1.205 30.709 31.823 0.152 0.000 0.648 163 V HN 0.955 nan 8.190 nan 0.000 0.447 164 G N -0.525 108.409 108.800 0.224 0.000 2.421 164 G HA2 -0.189 3.771 3.960 0.001 0.000 0.216 164 G HA3 -0.189 3.771 3.960 0.001 0.000 0.216 164 G C 1.751 176.716 174.900 0.108 0.000 1.171 164 G CA 1.045 46.360 45.100 0.359 0.000 0.775 164 G HN 0.606 nan 8.290 nan 0.000 0.543 165 A N 0.064 122.637 122.820 -0.411 0.000 1.929 165 A HA 0.050 4.371 4.320 0.001 0.000 0.216 165 A C 2.502 179.974 177.584 -0.187 0.000 1.176 165 A CA 2.290 53.929 52.037 -0.664 0.000 0.628 165 A CB -0.883 17.802 19.000 -0.524 0.000 0.816 165 A HN 0.277 nan 8.150 nan 0.000 0.444 166 T N -0.310 114.204 114.554 -0.067 0.000 2.720 166 T HA -0.143 4.208 4.350 0.001 0.000 0.268 166 T C 1.844 176.549 174.700 0.009 0.000 1.037 166 T CA 1.698 63.788 62.100 -0.016 0.000 1.144 166 T CB -0.362 68.510 68.868 0.007 0.000 0.864 166 T HN 0.149 nan 8.240 nan 0.000 0.444 167 V N 1.075 121.029 119.914 0.068 0.000 2.379 167 V HA -0.161 3.959 4.120 0.001 0.000 0.245 167 V C 2.772 178.874 176.094 0.013 0.000 1.044 167 V CA 1.905 64.206 62.300 0.001 0.000 1.036 167 V CB -0.954 30.810 31.823 -0.098 0.000 0.664 167 V HN 0.513 nan 8.190 nan 0.000 0.453 168 T N 0.424 115.072 114.554 0.157 0.000 2.652 168 T HA -0.187 4.164 4.350 0.001 0.000 0.267 168 T C 1.780 176.526 174.700 0.078 0.000 1.039 168 T CA 2.105 64.316 62.100 0.186 0.000 1.153 168 T CB -0.289 68.751 68.868 0.287 0.000 0.863 168 T HN 0.343 nan 8.240 nan 0.000 0.428 169 I N 0.622 121.210 120.570 0.029 0.000 2.202 169 I HA -0.159 4.011 4.170 0.001 0.000 0.242 169 I C 2.594 178.717 176.117 0.009 0.000 1.091 169 I CA 1.242 62.551 61.300 0.015 0.000 1.368 169 I CB -0.386 37.611 38.000 -0.006 0.000 1.058 169 I HN 0.244 nan 8.210 nan 0.000 0.410 170 M N 0.114 119.713 119.600 -0.002 0.000 2.108 170 M HA -0.282 4.198 4.480 0.001 0.000 0.261 170 M C 2.458 178.750 176.300 -0.013 0.000 1.066 170 M CA 2.019 57.313 55.300 -0.011 0.000 1.107 170 M CB -0.215 32.372 32.600 -0.021 0.000 1.356 170 M HN 0.381 nan 8.290 nan 0.000 0.406 171 C N 0.223 119.515 119.300 -0.013 0.000 2.453 171 C HA -0.011 4.449 4.460 0.001 0.000 0.277 171 C C 2.991 177.988 174.990 0.011 0.000 1.262 171 C CA 0.961 59.975 59.018 -0.007 0.000 1.718 171 C CB -1.470 26.264 27.740 -0.011 0.000 2.031 171 C HN 0.742 nan 8.230 nan 0.000 0.480 172 A N 0.477 123.313 122.820 0.027 0.000 1.972 172 A HA 0.070 4.391 4.320 0.001 0.000 0.219 172 A C 2.296 179.888 177.584 0.013 0.000 1.169 172 A CA 1.947 54.003 52.037 0.031 0.000 0.635 172 A CB -0.723 18.305 19.000 0.046 0.000 0.810 172 A HN 0.587 nan 8.150 nan 0.000 0.446 173 A N -0.189 122.635 122.820 0.007 0.000 2.067 173 A HA -0.029 4.292 4.320 0.001 0.000 0.219 173 A C 2.297 179.875 177.584 -0.009 0.000 1.158 173 A CA 2.080 54.118 52.037 0.001 0.000 0.661 173 A CB -1.283 17.719 19.000 0.003 0.000 0.801 173 A HN 0.784 nan 8.150 nan 0.000 0.452 174 T N -2.134 112.411 114.554 -0.016 0.000 2.977 174 T HA 0.012 4.362 4.350 0.001 0.000 0.271 174 T C 1.087 175.767 174.700 -0.032 0.000 1.105 174 T CA 1.336 63.419 62.100 -0.028 0.000 1.116 174 T CB -0.341 68.503 68.868 -0.040 0.000 0.878 174 T HN 0.315 nan 8.240 nan 0.000 0.509 175 L N 0.427 121.633 121.223 -0.028 0.000 3.066 175 L HA 0.589 4.930 4.340 0.001 0.000 0.265 175 L C 1.023 177.876 176.870 -0.029 0.000 1.232 175 L CA -0.650 54.169 54.840 -0.036 0.000 1.031 175 L CB -0.068 41.962 42.059 -0.048 0.000 1.379 175 L HN 0.275 nan 8.230 nan 0.000 0.563 176 A N -0.035 122.773 122.820 -0.019 0.000 2.252 176 A HA 0.440 4.761 4.320 0.001 0.000 0.305 176 A C -0.031 177.544 177.584 -0.015 0.000 1.097 176 A CA -0.371 51.658 52.037 -0.013 0.000 0.849 176 A CB 0.496 19.494 19.000 -0.004 0.000 1.142 176 A HN 0.260 nan 8.150 nan 0.000 0.499 177 E N 0.053 120.246 120.200 -0.011 0.000 2.129 177 E HA 0.442 4.793 4.350 0.001 0.000 0.283 177 E C 0.680 177.275 176.600 -0.008 0.000 1.080 177 E CA 0.948 57.341 56.400 -0.011 0.000 0.867 177 E CB 0.489 30.184 29.700 -0.010 0.000 1.056 177 E HN 1.237 nan 8.360 nan 0.000 0.404 178 G N 2.883 111.677 108.800 -0.009 0.000 2.545 178 G HA2 -0.213 3.747 3.960 0.001 0.000 0.216 178 G HA3 -0.213 3.747 3.960 0.001 0.000 0.216 178 G C -0.381 174.516 174.900 -0.006 0.000 1.314 178 G CA -0.648 44.447 45.100 -0.008 0.000 0.906 178 G HN 0.458 nan 8.290 nan 0.000 0.563 179 T N 1.452 116.004 114.554 -0.004 0.000 2.771 179 T HA 0.657 5.008 4.350 0.001 0.000 0.281 179 T C 0.132 174.840 174.700 0.012 0.000 0.982 179 T CA 0.361 62.461 62.100 -0.001 0.000 0.978 179 T CB 1.397 70.261 68.868 -0.007 0.000 0.930 179 T HN 0.741 nan 8.240 nan 0.000 0.447 180 T N 3.995 118.560 114.554 0.018 0.000 2.867 180 T HA 0.623 4.974 4.350 0.001 0.000 0.282 180 T C -0.110 174.621 174.700 0.051 0.000 1.000 180 T CA -0.501 61.621 62.100 0.036 0.000 1.042 180 T CB 0.597 69.480 68.868 0.024 0.000 0.973 180 T HN 0.412 nan 8.240 nan 0.000 0.465 181 I N 3.370 124.001 120.570 0.102 0.000 2.439 181 I HA 0.420 4.590 4.170 0.001 0.000 0.285 181 I C -0.555 175.634 176.117 0.120 0.000 1.021 181 I CA -0.723 60.660 61.300 0.139 0.000 1.091 181 I CB 1.616 39.753 38.000 0.228 0.000 1.242 181 I HN 0.461 nan 8.210 nan 0.000 0.439 182 I N 6.086 126.689 120.570 0.056 0.000 2.304 182 I HA 0.265 4.435 4.170 0.001 0.000 0.291 182 I C 0.040 176.161 176.117 0.007 0.000 1.018 182 I CA -0.521 60.785 61.300 0.010 0.000 1.260 182 I CB 0.723 38.724 38.000 0.001 0.000 1.390 182 I HN 0.453 nan 8.210 nan 0.000 0.475 183 E N 5.950 126.128 120.200 -0.036 0.000 2.231 183 E HA 0.170 4.520 4.350 0.001 0.000 0.277 183 E C 0.043 176.624 176.600 -0.032 0.000 0.999 183 E CA -0.477 55.907 56.400 -0.027 0.000 0.827 183 E CB 1.534 31.193 29.700 -0.068 0.000 1.101 183 E HN 0.641 nan 8.360 nan 0.000 0.393 184 N N 0.486 119.178 118.700 -0.013 0.000 2.783 184 N HA -0.211 4.529 4.740 0.001 0.000 0.247 184 N C -0.710 174.794 175.510 -0.012 0.000 1.089 184 N CA 0.180 53.222 53.050 -0.014 0.000 0.690 184 N CB -0.401 38.072 38.487 -0.023 0.000 0.991 184 N HN 0.551 nan 8.380 nan 0.000 0.552 185 A N 0.338 123.156 122.820 -0.004 0.000 2.366 185 A HA 0.672 4.992 4.320 0.001 0.000 0.249 185 A C 0.787 178.377 177.584 0.010 0.000 1.084 185 A CA 0.374 52.411 52.037 0.000 0.000 0.794 185 A CB 0.682 19.685 19.000 0.005 0.000 1.034 185 A HN 0.572 nan 8.150 nan 0.000 0.491 186 A N 0.571 123.399 122.820 0.015 0.000 2.388 186 A HA 0.513 4.833 4.320 0.001 0.000 0.257 186 A C 0.691 178.301 177.584 0.043 0.000 1.095 186 A CA -0.306 51.748 52.037 0.030 0.000 0.791 186 A CB 0.080 19.101 19.000 0.034 0.000 1.029 186 A HN 0.770 nan 8.150 nan 0.000 0.489 187 R N 0.424 120.967 120.500 0.072 0.000 2.432 187 R HA 0.174 4.514 4.340 0.001 0.000 0.260 187 R C -0.475 175.900 176.300 0.125 0.000 0.935 187 R CA -0.133 56.028 56.100 0.101 0.000 1.080 187 R CB 0.114 30.486 30.300 0.121 0.000 1.155 187 R HN 0.769 nan 8.270 nan 0.000 0.531 188 E N 1.401 121.633 120.200 0.054 0.000 2.568 188 E HA -0.074 4.277 4.350 0.001 0.000 0.262 188 E C -1.578 174.925 176.600 -0.161 0.000 0.961 188 E CA -0.868 55.462 56.400 -0.117 0.000 0.945 188 E CB 0.408 30.075 29.700 -0.055 0.000 0.924 188 E HN -0.047 nan 8.360 nan 0.000 0.467 189 P HA -0.201 nan 4.420 nan 0.000 0.217 189 P C 0.372 177.623 177.300 -0.081 0.000 1.151 189 P CA 1.317 64.313 63.100 -0.173 0.000 0.849 189 P CB 0.265 31.835 31.700 -0.216 0.000 0.787 190 E N -1.029 119.122 120.200 -0.081 0.000 2.204 190 E HA -0.105 4.246 4.350 0.001 0.000 0.195 190 E C 1.955 178.532 176.600 -0.039 0.000 0.990 190 E CA 0.742 57.118 56.400 -0.040 0.000 0.821 190 E CB -0.797 28.893 29.700 -0.018 0.000 0.750 190 E HN 0.302 nan 8.360 nan 0.000 0.477 191 I N -0.222 120.329 120.570 -0.032 0.000 2.439 191 I HA -0.188 3.982 4.170 0.001 0.000 0.251 191 I C 1.849 177.952 176.117 -0.023 0.000 1.139 191 I CA 0.481 61.763 61.300 -0.029 0.000 1.438 191 I CB -0.021 37.975 38.000 -0.006 0.000 1.085 191 I HN 0.028 nan 8.210 nan 0.000 0.427 192 V N 0.726 120.634 119.914 -0.009 0.000 2.295 192 V HA -0.316 3.805 4.120 0.001 0.000 0.246 192 V C 2.141 178.251 176.094 0.027 0.000 1.049 192 V CA 2.196 64.503 62.300 0.011 0.000 1.024 192 V CB -0.572 31.263 31.823 0.020 0.000 0.648 192 V HN 0.381 nan 8.190 nan 0.000 0.447 193 D N -0.191 120.231 120.400 0.036 0.000 2.097 193 D HA -0.151 4.489 4.640 0.001 0.000 0.195 193 D C 2.278 178.569 176.300 -0.014 0.000 0.989 193 D CA 1.836 55.893 54.000 0.095 0.000 0.827 193 D CB -0.179 40.686 40.800 0.108 0.000 0.966 193 D HN 0.389 nan 8.370 nan 0.000 0.456 194 T N -0.318 114.199 114.554 -0.060 0.000 2.746 194 T HA -0.137 4.213 4.350 0.001 0.000 0.267 194 T C 1.904 176.574 174.700 -0.051 0.000 1.039 194 T CA 1.479 63.523 62.100 -0.093 0.000 1.142 194 T CB -0.426 68.358 68.868 -0.140 0.000 0.866 194 T HN 0.224 nan 8.240 nan 0.000 0.444 195 A N 2.282 125.075 122.820 -0.045 0.000 1.902 195 A HA -0.134 4.187 4.320 0.001 0.000 0.217 195 A C 2.236 179.787 177.584 -0.055 0.000 1.181 195 A CA 1.436 53.449 52.037 -0.040 0.000 0.623 195 A CB -0.572 18.415 19.000 -0.022 0.000 0.818 195 A HN 0.373 nan 8.150 nan 0.000 0.443 196 N N -0.968 117.712 118.700 -0.034 0.000 2.244 196 N HA -0.115 4.625 4.740 0.001 0.000 0.183 196 N C 1.348 176.750 175.510 -0.181 0.000 1.016 196 N CA 1.383 54.432 53.050 -0.003 0.000 0.866 196 N CB -0.586 38.012 38.487 0.185 0.000 0.980 196 N HN 0.583 nan 8.380 nan 0.000 0.430 197 F N 1.602 121.127 119.950 -0.709 0.000 2.113 197 F HA -0.014 4.513 4.527 0.000 0.000 0.297 197 F C 1.999 177.585 175.800 -0.357 0.000 1.103 197 F CA 0.988 58.454 58.000 -0.890 0.000 1.248 197 F CB -0.440 37.990 39.000 -0.951 0.000 0.999 197 F HN -0.085 nan 8.300 nan 0.000 0.475 198 L N 0.182 121.197 121.223 -0.347 0.000 2.012 198 L HA -0.272 4.069 4.340 0.001 0.000 0.210 198 L C 2.566 179.268 176.870 -0.280 0.000 1.073 198 L CA 1.734 56.373 54.840 -0.336 0.000 0.748 198 L CB -0.774 41.204 42.059 -0.135 0.000 0.891 198 L HN 0.218 nan 8.230 nan 0.000 0.431 199 I N -0.640 119.821 120.570 -0.182 0.000 2.264 199 I HA -0.313 3.858 4.170 0.001 0.000 0.248 199 I C 2.462 178.500 176.117 -0.133 0.000 1.111 199 I CA 1.521 62.750 61.300 -0.119 0.000 1.382 199 I CB -0.437 37.528 38.000 -0.058 0.000 1.060 199 I HN 0.272 nan 8.210 nan 0.000 0.418 200 T N 1.097 115.550 114.554 -0.168 0.000 2.803 200 T HA -0.120 4.231 4.350 0.001 0.000 0.269 200 T C 1.716 176.304 174.700 -0.187 0.000 1.052 200 T CA 1.147 63.169 62.100 -0.129 0.000 1.136 200 T CB -0.187 68.647 68.868 -0.058 0.000 0.864 200 T HN 0.292 nan 8.240 nan 0.000 0.467 201 L N -0.113 120.922 121.223 -0.312 0.000 2.554 201 L HA 0.259 4.599 4.340 0.001 0.000 0.226 201 L C 1.860 178.632 176.870 -0.164 0.000 1.137 201 L CA 0.478 55.156 54.840 -0.270 0.000 0.863 201 L CB -0.129 41.698 42.059 -0.387 0.000 0.985 201 L HN 0.487 nan 8.230 nan 0.000 0.451 202 G N -0.452 108.265 108.800 -0.138 0.000 2.159 202 G HA2 -0.140 3.820 3.960 0.001 0.000 0.170 202 G HA3 -0.140 3.820 3.960 0.001 0.000 0.170 202 G C 0.269 175.118 174.900 -0.086 0.000 1.007 202 G CA -0.191 44.853 45.100 -0.093 0.000 0.672 202 G HN 0.404 nan 8.290 nan 0.000 0.507 203 A N -0.030 122.727 122.820 -0.105 0.000 2.313 203 A HA 0.737 5.057 4.320 0.001 0.000 0.261 203 A C 0.410 177.957 177.584 -0.062 0.000 1.090 203 A CA 0.095 52.082 52.037 -0.084 0.000 0.807 203 A CB 0.494 19.436 19.000 -0.097 0.000 1.055 203 A HN 0.345 nan 8.150 nan 0.000 0.492 204 K N 1.134 121.506 120.400 -0.047 0.000 2.473 204 K HA 0.550 4.871 4.320 0.001 0.000 0.246 204 K C -1.512 175.071 176.600 -0.028 0.000 1.011 204 K CA 0.323 56.590 56.287 -0.034 0.000 0.984 204 K CB 1.000 33.484 32.500 -0.028 0.000 1.250 204 K HN 0.574 nan 8.250 nan 0.000 0.454 205 I N 1.622 122.176 120.570 -0.026 0.000 2.545 205 I HA 0.305 4.475 4.170 0.001 0.000 0.292 205 I C -0.330 175.781 176.117 -0.010 0.000 1.040 205 I CA -0.660 60.629 61.300 -0.019 0.000 1.068 205 I CB 2.253 40.239 38.000 -0.024 0.000 1.251 205 I HN 0.511 nan 8.210 nan 0.000 0.424 206 S N 2.544 118.242 115.700 -0.005 0.000 2.546 206 S HA 0.818 5.289 4.470 0.001 0.000 0.274 206 S C 0.199 174.802 174.600 0.005 0.000 1.121 206 S CA -0.011 58.190 58.200 0.000 0.000 0.887 206 S CB 2.041 65.240 63.200 -0.000 0.000 1.094 206 S HN 1.300 nan 8.310 nan 0.000 0.474 207 G N 1.001 109.806 108.800 0.008 0.000 2.176 207 G HA2 -0.233 3.728 3.960 0.001 0.000 0.232 207 G HA3 -0.233 3.728 3.960 0.001 0.000 0.232 207 G C 0.110 175.019 174.900 0.015 0.000 0.986 207 G CA 0.039 45.146 45.100 0.012 0.000 0.643 207 G HN 1.292 nan 8.290 nan 0.000 0.522 208 Q N 0.412 120.220 119.800 0.013 0.000 2.283 208 Q HA 0.368 4.708 4.340 0.001 0.000 0.301 208 Q C 1.168 177.182 176.000 0.024 0.000 1.063 208 Q CA 1.171 56.983 55.803 0.015 0.000 0.952 208 Q CB 0.727 29.471 28.738 0.010 0.000 1.166 208 Q HN 1.885 nan 8.270 nan 0.000 0.381 209 G N 2.258 111.076 108.800 0.031 0.000 2.194 209 G HA2 -0.287 3.674 3.960 0.001 0.000 0.236 209 G HA3 -0.287 3.674 3.960 0.001 0.000 0.236 209 G C 0.213 175.140 174.900 0.046 0.000 0.987 209 G CA 0.379 45.508 45.100 0.048 0.000 0.635 209 G HN 1.185 nan 8.290 nan 0.000 0.520 210 T N -1.904 112.669 114.554 0.031 0.000 2.927 210 T HA 0.558 4.908 4.350 0.001 0.000 0.286 210 T C 1.005 175.719 174.700 0.023 0.000 1.040 210 T CA 0.633 62.748 62.100 0.025 0.000 1.010 210 T CB 1.763 70.643 68.868 0.019 0.000 1.177 210 T HN 0.196 nan 8.240 nan 0.000 0.546 211 D N -0.677 119.734 120.400 0.018 0.000 2.371 211 D HA -0.026 4.614 4.640 0.001 0.000 0.221 211 D C 0.732 177.042 176.300 0.017 0.000 0.986 211 D CA 0.364 54.372 54.000 0.015 0.000 0.899 211 D CB -0.092 40.715 40.800 0.010 0.000 0.902 211 D HN 0.600 nan 8.370 nan 0.000 0.530 212 R N 0.421 120.934 120.500 0.021 0.000 2.435 212 R HA 0.508 4.848 4.340 0.001 0.000 0.308 212 R C -1.243 175.071 176.300 0.024 0.000 0.975 212 R CA -0.565 55.552 56.100 0.028 0.000 0.867 212 R CB 0.664 30.985 30.300 0.036 0.000 1.171 212 R HN -0.020 nan 8.270 nan 0.000 0.470 213 I N 4.897 125.481 120.570 0.024 0.000 2.354 213 I HA 0.338 4.508 4.170 0.001 0.000 0.292 213 I C -0.520 175.610 176.117 0.022 0.000 0.989 213 I CA -1.202 60.109 61.300 0.018 0.000 1.188 213 I CB 2.051 40.057 38.000 0.010 0.000 1.342 213 I HN 0.281 nan 8.210 nan 0.000 0.457 214 V N 7.555 127.478 119.914 0.015 0.000 2.417 214 V HA 0.446 4.566 4.120 0.001 0.000 0.291 214 V C -0.222 175.874 176.094 0.003 0.000 1.024 214 V CA -0.441 61.866 62.300 0.013 0.000 0.861 214 V CB 1.722 33.549 31.823 0.007 0.000 0.985 214 V HN 0.437 nan 8.190 nan 0.000 0.436 215 I N 4.398 124.970 120.570 0.004 0.000 2.389 215 I HA 0.407 4.578 4.170 0.001 0.000 0.288 215 I C 0.031 176.144 176.117 -0.007 0.000 0.999 215 I CA -0.237 61.060 61.300 -0.005 0.000 1.129 215 I CB 1.779 39.776 38.000 -0.005 0.000 1.288 215 I HN 0.589 nan 8.210 nan 0.000 0.444 216 E N 4.982 125.174 120.200 -0.013 0.000 2.109 216 E HA 0.472 4.823 4.350 0.001 0.000 0.278 216 E C 0.272 176.861 176.600 -0.019 0.000 0.954 216 E CA -0.739 55.653 56.400 -0.015 0.000 0.779 216 E CB 1.307 30.997 29.700 -0.016 0.000 1.093 216 E HN 0.762 nan 8.360 nan 0.000 0.401 217 G N 2.010 110.800 108.800 -0.017 0.000 2.414 217 G HA2 0.264 4.224 3.960 0.001 0.000 0.236 217 G HA3 0.264 4.224 3.960 0.001 0.000 0.236 217 G C 0.197 175.082 174.900 -0.026 0.000 1.293 217 G CA -0.211 44.876 45.100 -0.022 0.000 0.869 217 G HN 0.365 nan 8.290 nan 0.000 0.556 218 V N -0.403 119.492 119.914 -0.032 0.000 3.164 218 V HA 0.725 4.846 4.120 0.001 0.000 0.313 218 V C 0.832 176.903 176.094 -0.038 0.000 1.188 218 V CA -0.042 62.238 62.300 -0.035 0.000 1.058 218 V CB 2.044 33.844 31.823 -0.040 0.000 1.110 218 V HN 0.882 nan 8.190 nan 0.000 0.453 219 E N 0.861 121.038 120.200 -0.039 0.000 2.415 219 E HA 0.254 4.604 4.350 0.001 0.000 0.197 219 E C 0.565 177.133 176.600 -0.052 0.000 1.007 219 E CA -0.088 56.287 56.400 -0.042 0.000 0.890 219 E CB 0.386 30.064 29.700 -0.035 0.000 0.891 219 E HN 0.811 nan 8.360 nan 0.000 0.496 220 R N 0.119 120.588 120.500 -0.053 0.000 2.664 220 R HA 0.436 4.777 4.340 0.001 0.000 0.266 220 R C -1.835 174.428 176.300 -0.061 0.000 1.046 220 R CA -0.819 55.245 56.100 -0.060 0.000 0.885 220 R CB 0.819 31.086 30.300 -0.055 0.000 1.254 220 R HN 0.018 nan 8.270 nan 0.000 0.465 221 L N 1.219 122.402 121.223 -0.067 0.000 2.342 221 L HA 0.656 4.996 4.340 0.001 0.000 0.271 221 L C 0.771 177.601 176.870 -0.066 0.000 1.008 221 L CA -0.575 54.219 54.840 -0.077 0.000 0.818 221 L CB 2.161 44.163 42.059 -0.095 0.000 1.296 221 L HN 0.982 nan 8.230 nan 0.000 0.427 222 G N 0.352 109.107 108.800 -0.074 0.000 3.022 222 G HA2 0.676 4.636 3.960 0.001 0.000 0.157 222 G HA3 0.676 4.636 3.960 0.001 0.000 0.157 222 G C -0.205 174.663 174.900 -0.053 0.000 1.468 222 G CA 0.118 45.187 45.100 -0.052 0.000 1.058 222 G HN 0.750 nan 8.290 nan 0.000 0.581 223 G N -2.906 105.872 108.800 -0.036 0.000 3.211 223 G HA2 0.747 4.708 3.960 0.001 0.000 0.262 223 G HA3 0.747 4.708 3.960 0.001 0.000 0.262 223 G C -0.223 174.667 174.900 -0.016 0.000 1.352 223 G CA 0.038 45.132 45.100 -0.011 0.000 1.004 223 G HN 1.848 nan 8.290 nan 0.000 0.559 224 G N -2.717 106.104 108.800 0.035 0.000 2.352 224 G HA2 0.488 4.449 3.960 0.001 0.000 0.283 224 G HA3 0.488 4.449 3.960 0.001 0.000 0.283 224 G C -2.000 172.969 174.900 0.114 0.000 1.308 224 G CA 0.114 45.245 45.100 0.052 0.000 0.892 224 G HN 1.360 nan 8.290 nan 0.000 0.504 225 V N 0.323 120.316 119.914 0.131 0.000 2.638 225 V HA 0.762 4.882 4.120 0.001 0.000 0.306 225 V C -1.297 174.940 176.094 0.238 0.000 1.052 225 V CA -0.577 61.816 62.300 0.155 0.000 0.885 225 V CB 1.676 33.553 31.823 0.090 0.000 0.999 225 V HN 1.005 nan 8.190 nan 0.000 0.424 226 Y N 3.881 124.246 120.300 0.107 0.000 2.479 226 Y HA 0.593 5.143 4.550 0.000 0.000 0.338 226 Y C -0.322 175.603 175.900 0.041 0.000 1.055 226 Y CA -0.776 57.395 58.100 0.118 0.000 1.023 226 Y CB 1.700 40.339 38.460 0.298 0.000 1.287 226 Y HN 0.624 nan 8.280 nan 0.000 0.447 227 R N 4.996 125.222 120.500 -0.457 0.000 2.294 227 R HA 0.626 4.966 4.340 0.001 0.000 0.319 227 R C -1.458 174.673 176.300 -0.282 0.000 0.984 227 R CA -0.560 55.371 56.100 -0.282 0.000 0.861 227 R CB 0.989 31.150 30.300 -0.232 0.000 1.104 227 R HN 0.600 nan 8.270 nan 0.000 0.451 228 V N 6.490 126.375 119.914 -0.048 0.000 2.637 228 V HA 0.068 4.188 4.120 0.001 0.000 0.296 228 V C 0.922 177.009 176.094 -0.011 0.000 1.046 228 V CA -0.336 61.983 62.300 0.032 0.000 1.066 228 V CB 0.871 32.704 31.823 0.018 0.000 0.968 228 V HN 0.692 nan 8.190 nan 0.000 0.483 229 L N 5.298 126.532 121.223 0.018 0.000 2.474 229 L HA 0.508 4.848 4.340 0.001 0.000 0.259 229 L C -2.350 174.519 176.870 -0.001 0.000 1.232 229 L CA -1.449 53.390 54.840 -0.001 0.000 0.821 229 L CB -0.128 41.939 42.059 0.013 0.000 1.108 229 L HN 0.351 nan 8.230 nan 0.000 0.495 230 P HA 0.049 nan 4.420 nan 0.000 0.272 230 P C -1.254 176.053 177.300 0.012 0.000 1.223 230 P CA -0.105 63.002 63.100 0.012 0.000 0.784 230 P CB 0.394 32.106 31.700 0.019 0.000 0.923 231 D N 2.052 122.466 120.400 0.023 0.000 2.352 231 D HA 0.017 4.657 4.640 0.001 0.000 0.245 231 D C 1.322 177.639 176.300 0.028 0.000 1.224 231 D CA -0.158 53.851 54.000 0.016 0.000 0.879 231 D CB 0.604 41.414 40.800 0.017 0.000 1.057 231 D HN 0.336 nan 8.370 nan 0.000 0.491 232 R N 3.801 124.303 120.500 0.003 0.000 2.115 232 R HA -0.105 4.236 4.340 0.001 0.000 0.230 232 R C 1.406 177.714 176.300 0.014 0.000 1.111 232 R CA 0.499 56.602 56.100 0.007 0.000 0.976 232 R CB -0.128 30.158 30.300 -0.024 0.000 0.870 232 R HN 0.334 nan 8.270 nan 0.000 0.445 233 I N 1.938 122.507 120.570 -0.002 0.000 2.252 233 I HA -0.153 4.018 4.170 0.001 0.000 0.245 233 I C 2.526 178.684 176.117 0.069 0.000 1.102 233 I CA 1.286 62.590 61.300 0.006 0.000 1.385 233 I CB -1.265 36.712 38.000 -0.039 0.000 1.064 233 I HN 0.347 nan 8.210 nan 0.000 0.414 234 E N 0.835 121.090 120.200 0.092 0.000 2.077 234 E HA -0.195 4.155 4.350 0.001 0.000 0.193 234 E C 2.053 178.796 176.600 0.238 0.000 0.989 234 E CA 1.985 58.512 56.400 0.211 0.000 0.800 234 E CB 0.160 30.022 29.700 0.270 0.000 0.746 234 E HN 0.417 nan 8.360 nan 0.000 0.452 235 T N -0.188 114.485 114.554 0.198 0.000 2.684 235 T HA -0.164 4.186 4.350 0.001 0.000 0.267 235 T C 1.746 176.544 174.700 0.163 0.000 1.036 235 T CA 1.332 63.551 62.100 0.199 0.000 1.148 235 T CB -0.700 68.242 68.868 0.123 0.000 0.863 235 T HN 0.402 nan 8.240 nan 0.000 0.436 236 G N 1.043 109.905 108.800 0.104 0.000 2.418 236 G HA2 -0.210 3.750 3.960 0.001 0.000 0.217 236 G HA3 -0.210 3.750 3.960 0.001 0.000 0.217 236 G C 1.720 176.652 174.900 0.054 0.000 1.158 236 G CA 1.425 46.581 45.100 0.094 0.000 0.771 236 G HN 0.474 nan 8.290 nan 0.000 0.545 237 T N 1.055 115.604 114.554 -0.009 0.000 2.788 237 T HA -0.084 4.267 4.350 0.001 0.000 0.268 237 T C 2.012 176.562 174.700 -0.251 0.000 1.044 237 T CA 1.084 63.080 62.100 -0.173 0.000 1.139 237 T CB -0.284 68.408 68.868 -0.292 0.000 0.867 237 T HN 0.222 nan 8.240 nan 0.000 0.454 238 F N 0.835 120.792 119.950 0.012 0.000 2.234 238 F HA 0.241 4.768 4.527 0.001 0.000 0.296 238 F C 2.085 177.876 175.800 -0.015 0.000 1.089 238 F CA 0.125 58.119 58.000 -0.010 0.000 1.343 238 F CB -0.776 38.228 39.000 0.007 0.000 1.040 238 F HN 0.055 nan 8.300 nan 0.000 0.498 239 L N -0.774 120.549 121.223 0.167 0.000 2.042 239 L HA -0.233 4.108 4.340 0.001 0.000 0.210 239 L C 2.354 179.230 176.870 0.011 0.000 1.076 239 L CA 0.854 55.748 54.840 0.090 0.000 0.749 239 L CB -0.842 41.274 42.059 0.095 0.000 0.893 239 L HN -0.024 nan 8.230 nan 0.000 0.432 240 V N -0.198 119.687 119.914 -0.048 0.000 2.358 240 V HA -0.244 3.876 4.120 0.001 0.000 0.246 240 V C 2.738 178.765 176.094 -0.111 0.000 1.047 240 V CA 1.583 63.788 62.300 -0.159 0.000 1.035 240 V CB -0.695 30.973 31.823 -0.258 0.000 0.658 240 V HN 0.475 nan 8.190 nan 0.000 0.452 241 A N 0.149 122.929 122.820 -0.066 0.000 1.917 241 A HA -0.236 4.084 4.320 0.001 0.000 0.219 241 A C 2.412 179.987 177.584 -0.014 0.000 1.182 241 A CA 2.467 54.483 52.037 -0.036 0.000 0.633 241 A CB -0.791 18.225 19.000 0.027 0.000 0.819 241 A HN 0.588 nan 8.150 nan 0.000 0.448 242 A N -0.393 122.432 122.820 0.008 0.000 1.873 242 A HA 0.222 4.542 4.320 0.001 0.000 0.215 242 A C 2.514 180.081 177.584 -0.028 0.000 1.186 242 A CA 1.983 54.018 52.037 -0.003 0.000 0.616 242 A CB -1.071 17.935 19.000 0.009 0.000 0.823 242 A HN 1.154 nan 8.150 nan 0.000 0.442 243 A N 0.401 123.196 122.820 -0.043 0.000 2.019 243 A HA -0.066 4.255 4.320 0.001 0.000 0.219 243 A C 2.045 179.594 177.584 -0.058 0.000 1.164 243 A CA 1.528 53.532 52.037 -0.054 0.000 0.644 243 A CB -0.789 18.165 19.000 -0.077 0.000 0.805 243 A HN 0.974 nan 8.150 nan 0.000 0.449 244 I N -2.925 117.605 120.570 -0.067 0.000 3.427 244 I HA 0.053 4.223 4.170 0.001 0.000 0.288 244 I C 1.640 177.733 176.117 -0.040 0.000 1.249 244 I CA 1.222 62.486 61.300 -0.060 0.000 1.421 244 I CB 0.022 37.978 38.000 -0.074 0.000 1.086 244 I HN 0.219 nan 8.210 nan 0.000 0.448 245 S N 0.738 116.418 115.700 -0.035 0.000 2.597 245 S HA 0.293 4.763 4.470 0.001 0.000 0.224 245 S C 0.865 175.452 174.600 -0.020 0.000 0.955 245 S CA -0.563 57.621 58.200 -0.026 0.000 0.933 245 S CB -0.305 62.881 63.200 -0.024 0.000 0.788 245 S HN 0.555 nan 8.310 nan 0.000 0.488 246 R N 0.177 120.664 120.500 -0.021 0.000 3.525 246 R HA -0.131 4.210 4.340 0.001 0.000 0.276 246 R C 0.684 176.971 176.300 -0.022 0.000 1.116 246 R CA 0.417 56.507 56.100 -0.016 0.000 0.745 246 R CB -2.375 27.922 30.300 -0.006 0.000 1.185 246 R HN 0.635 nan 8.270 nan 0.000 0.454 247 G N 0.573 109.356 108.800 -0.029 0.000 2.857 247 G HA2 0.607 4.567 3.960 0.001 0.000 0.217 247 G HA3 0.607 4.567 3.960 0.001 0.000 0.217 247 G C -0.720 174.151 174.900 -0.049 0.000 1.357 247 G CA -0.339 44.742 45.100 -0.032 0.000 1.033 247 G HN 0.102 nan 8.290 nan 0.000 0.571 248 K N -1.332 119.042 120.400 -0.043 0.000 2.543 248 K HA 0.640 4.960 4.320 0.001 0.000 0.255 248 K C -2.181 174.400 176.600 -0.031 0.000 0.934 248 K CA -0.729 55.526 56.287 -0.052 0.000 0.810 248 K CB 2.434 34.890 32.500 -0.072 0.000 1.315 248 K HN 0.488 nan 8.250 nan 0.000 0.433 249 I N 4.136 124.696 120.570 -0.016 0.000 2.827 249 I HA 0.438 4.608 4.170 0.001 0.000 0.298 249 I C -1.545 174.581 176.117 0.016 0.000 1.235 249 I CA -1.186 60.111 61.300 -0.004 0.000 1.021 249 I CB 1.882 39.892 38.000 0.016 0.000 1.259 249 I HN 0.625 nan 8.210 nan 0.000 0.427 250 I N 5.599 126.169 120.570 0.000 0.000 2.406 250 I HA 0.334 4.504 4.170 0.001 0.000 0.290 250 I C -0.647 175.491 176.117 0.035 0.000 0.999 250 I CA -0.545 60.773 61.300 0.031 0.000 1.124 250 I CB 1.310 39.285 38.000 -0.042 0.000 1.289 250 I HN 0.472 nan 8.210 nan 0.000 0.441 251 C N 6.351 125.713 119.300 0.103 0.000 2.273 251 C HA 0.540 5.000 4.460 0.001 0.000 0.328 251 C C 0.639 175.703 174.990 0.124 0.000 1.275 251 C CA -0.735 58.334 59.018 0.084 0.000 1.704 251 C CB 0.544 28.351 27.740 0.111 0.000 2.326 251 C HN 0.610 nan 8.230 nan 0.000 0.517 252 R N 2.596 123.136 120.500 0.067 0.000 2.598 252 R HA 0.338 4.679 4.340 0.001 0.000 0.279 252 R C 0.054 176.395 176.300 0.068 0.000 0.984 252 R CA -0.475 55.675 56.100 0.083 0.000 0.999 252 R CB 0.521 30.838 30.300 0.028 0.000 1.114 252 R HN 0.795 nan 8.270 nan 0.000 0.493 253 N N -0.973 117.774 118.700 0.079 0.000 2.756 253 N HA -0.180 4.561 4.740 0.001 0.000 0.248 253 N C -1.133 174.408 175.510 0.051 0.000 1.062 253 N CA 1.099 54.181 53.050 0.053 0.000 0.696 253 N CB -0.974 37.531 38.487 0.030 0.000 0.946 253 N HN 0.753 nan 8.380 nan 0.000 0.548 254 A N -0.121 122.737 122.820 0.063 0.000 2.288 254 A HA 0.737 5.057 4.320 0.001 0.000 0.328 254 A C 0.186 177.778 177.584 0.013 0.000 1.123 254 A CA -0.450 51.614 52.037 0.045 0.000 0.861 254 A CB 1.263 20.300 19.000 0.061 0.000 1.272 254 A HN 0.218 nan 8.150 nan 0.000 0.490 255 Q N 0.590 120.391 119.800 0.002 0.000 2.771 255 Q HA 0.327 4.667 4.340 0.001 0.000 0.247 255 Q C -2.280 173.707 176.000 -0.022 0.000 0.986 255 Q CA -1.776 54.017 55.803 -0.016 0.000 0.713 255 Q CB 1.225 29.957 28.738 -0.009 0.000 1.241 255 Q HN 0.428 nan 8.270 nan 0.000 0.488 256 P HA -0.201 nan 4.420 nan 0.000 0.216 256 P C 0.599 177.883 177.300 -0.027 0.000 1.150 256 P CA 1.525 64.592 63.100 -0.054 0.000 0.843 256 P CB 0.160 31.790 31.700 -0.118 0.000 0.787 257 D N -2.056 118.329 120.400 -0.024 0.000 2.403 257 D HA -0.109 4.532 4.640 0.001 0.000 0.227 257 D C 1.241 177.564 176.300 0.039 0.000 0.995 257 D CA 1.168 55.168 54.000 0.000 0.000 0.928 257 D CB -1.433 39.366 40.800 -0.001 0.000 0.887 257 D HN 0.080 nan 8.370 nan 0.000 0.529 258 T N -0.569 114.005 114.554 0.034 0.000 3.065 258 T HA 0.237 4.587 4.350 0.001 0.000 0.252 258 T C 1.126 175.877 174.700 0.085 0.000 1.099 258 T CA 0.048 62.181 62.100 0.055 0.000 1.063 258 T CB 0.095 68.963 68.868 0.000 0.000 0.948 258 T HN 0.161 nan 8.240 nan 0.000 0.506 259 L N 0.353 121.606 121.223 0.049 0.000 3.267 259 L HA 0.272 4.613 4.340 0.001 0.000 0.289 259 L C 0.955 177.834 176.870 0.016 0.000 1.260 259 L CA -0.183 54.673 54.840 0.027 0.000 1.034 259 L CB 0.569 42.640 42.059 0.019 0.000 1.413 259 L HN -0.031 nan 8.230 nan 0.000 0.594 260 D N 1.572 121.982 120.400 0.016 0.000 2.127 260 D HA -0.250 4.391 4.640 0.001 0.000 0.190 260 D C 2.155 178.456 176.300 0.001 0.000 1.000 260 D CA 1.883 55.883 54.000 -0.001 0.000 0.839 260 D CB 0.146 40.935 40.800 -0.018 0.000 0.955 260 D HN 0.387 nan 8.370 nan 0.000 0.446 261 A N 0.661 123.472 122.820 -0.014 0.000 1.892 261 A HA -0.183 4.138 4.320 0.001 0.000 0.218 261 A C 2.630 180.236 177.584 0.036 0.000 1.188 261 A CA 1.771 53.813 52.037 0.009 0.000 0.631 261 A CB -0.890 18.112 19.000 0.005 0.000 0.822 261 A HN 0.174 nan 8.150 nan 0.000 0.447 262 V N 0.100 119.994 119.914 -0.034 0.000 2.295 262 V HA -0.245 3.875 4.120 0.001 0.000 0.246 262 V C 2.581 178.761 176.094 0.143 0.000 1.049 262 V CA 1.949 64.247 62.300 -0.002 0.000 1.024 262 V CB -0.715 31.075 31.823 -0.055 0.000 0.648 262 V HN 0.574 nan 8.190 nan 0.000 0.447 263 L N 0.051 121.330 121.223 0.093 0.000 2.046 263 L HA -0.156 4.184 4.340 0.001 0.000 0.208 263 L C 2.755 179.685 176.870 0.100 0.000 1.077 263 L CA 1.580 56.479 54.840 0.099 0.000 0.747 263 L CB -0.909 41.182 42.059 0.054 0.000 0.896 263 L HN 0.365 nan 8.230 nan 0.000 0.432 264 A N 0.018 122.881 122.820 0.072 0.000 1.908 264 A HA -0.246 4.074 4.320 0.001 0.000 0.218 264 A C 2.302 179.934 177.584 0.080 0.000 1.181 264 A CA 1.898 53.971 52.037 0.060 0.000 0.627 264 A CB -0.364 18.657 19.000 0.034 0.000 0.818 264 A HN 0.179 nan 8.150 nan 0.000 0.445 265 K N -0.347 120.117 120.400 0.108 0.000 2.155 265 K HA 0.116 4.436 4.320 0.001 0.000 0.203 265 K C 1.744 178.497 176.600 0.254 0.000 1.052 265 K CA 0.869 57.231 56.287 0.125 0.000 0.948 265 K CB -0.429 32.086 32.500 0.024 0.000 0.728 265 K HN 0.508 nan 8.250 nan 0.000 0.448 266 L N -0.026 121.380 121.223 0.305 0.000 2.056 266 L HA -0.152 4.188 4.340 0.001 0.000 0.207 266 L C 2.289 179.245 176.870 0.142 0.000 1.078 266 L CA 1.231 56.222 54.840 0.252 0.000 0.749 266 L CB -0.257 41.930 42.059 0.214 0.000 0.901 266 L HN 0.131 nan 8.230 nan 0.000 0.433 267 R N 0.014 120.582 120.500 0.115 0.000 2.083 267 R HA -0.178 4.162 4.340 0.001 0.000 0.237 267 R C 1.838 178.182 176.300 0.072 0.000 1.137 267 R CA 1.682 57.831 56.100 0.081 0.000 0.951 267 R CB -0.515 29.824 30.300 0.065 0.000 0.851 267 R HN 0.355 nan 8.270 nan 0.000 0.434 268 D N 0.508 120.952 120.400 0.072 0.000 2.221 268 D HA -0.121 4.519 4.640 0.001 0.000 0.204 268 D C 1.468 177.802 176.300 0.057 0.000 0.982 268 D CA 1.322 55.353 54.000 0.052 0.000 0.857 268 D CB -0.107 40.713 40.800 0.034 0.000 0.934 268 D HN 0.292 nan 8.370 nan 0.000 0.475 269 A N -0.482 122.388 122.820 0.083 0.000 2.208 269 A HA 0.415 4.736 4.320 0.001 0.000 0.209 269 A C 1.719 179.334 177.584 0.052 0.000 1.161 269 A CA 1.042 53.121 52.037 0.070 0.000 0.782 269 A CB -0.025 19.028 19.000 0.088 0.000 0.816 269 A HN 0.255 nan 8.150 nan 0.000 0.477 270 G N -2.327 106.508 108.800 0.058 0.000 2.138 270 G HA2 0.190 4.150 3.960 0.001 0.000 0.193 270 G HA3 0.190 4.150 3.960 0.001 0.000 0.193 270 G C 0.273 175.213 174.900 0.066 0.000 0.998 270 G CA 0.102 45.236 45.100 0.057 0.000 0.668 270 G HN 1.436 nan 8.290 nan 0.000 0.516 271 A N -0.117 122.741 122.820 0.063 0.000 2.302 271 A HA 0.631 4.951 4.320 0.001 0.000 0.285 271 A C -0.001 177.625 177.584 0.070 0.000 1.105 271 A CA 0.318 52.386 52.037 0.053 0.000 0.816 271 A CB 0.813 19.838 19.000 0.043 0.000 1.067 271 A HN 0.470 nan 8.150 nan 0.000 0.489 272 D N 1.465 121.900 120.400 0.060 0.000 2.412 272 D HA 0.495 5.135 4.640 0.001 0.000 0.224 272 D C -0.833 175.509 176.300 0.070 0.000 1.093 272 D CA 0.072 54.130 54.000 0.096 0.000 0.850 272 D CB 0.104 41.020 40.800 0.193 0.000 1.046 272 D HN 0.338 nan 8.370 nan 0.000 0.507 273 I N 3.067 123.684 120.570 0.079 0.000 2.436 273 I HA 0.328 4.498 4.170 0.001 0.000 0.289 273 I C 0.220 176.386 176.117 0.082 0.000 1.010 273 I CA -0.726 60.621 61.300 0.078 0.000 1.098 273 I CB 1.799 39.838 38.000 0.065 0.000 1.266 273 I HN 0.217 nan 8.210 nan 0.000 0.434 274 E N 5.194 125.465 120.200 0.118 0.000 2.256 274 E HA 0.631 4.981 4.350 0.001 0.000 0.267 274 E C -1.286 175.272 176.600 -0.070 0.000 0.892 274 E CA -0.860 55.598 56.400 0.097 0.000 0.775 274 E CB 3.398 33.248 29.700 0.249 0.000 1.207 274 E HN 0.404 nan 8.360 nan 0.000 0.420 275 V N -1.111 118.596 119.914 -0.347 0.000 2.735 275 V HA 0.877 4.997 4.120 0.001 0.000 0.310 275 V C 0.084 175.432 176.094 -1.243 0.000 1.061 275 V CA -0.486 61.371 62.300 -0.738 0.000 0.913 275 V CB 1.422 33.017 31.823 -0.379 0.000 1.005 275 V HN 0.739 nan 8.190 nan 0.000 0.428 276 G N 1.654 109.154 108.800 -2.166 0.000 2.736 276 G HA2 0.423 4.383 3.960 0.001 0.000 0.229 276 G HA3 0.423 4.383 3.960 0.001 0.000 0.229 276 G C 0.181 174.662 174.900 -0.698 0.000 1.380 276 G CA 0.139 44.305 45.100 -1.556 0.000 1.040 276 G HN 0.865 nan 8.290 nan 0.000 0.568 277 E N -0.660 119.346 120.200 -0.324 0.000 2.299 277 E HA -0.035 4.315 4.350 0.001 0.000 0.193 277 E C 0.228 176.762 176.600 -0.109 0.000 0.998 277 E CA 1.074 57.383 56.400 -0.152 0.000 0.851 277 E CB 0.289 29.965 29.700 -0.040 0.000 0.795 277 E HN 0.523 nan 8.360 nan 0.000 0.492 278 D N -0.781 119.574 120.400 -0.075 0.000 2.740 278 D HA -0.002 4.638 4.640 0.001 0.000 0.305 278 D C -0.364 176.021 176.300 0.143 0.000 1.583 278 D CA -0.460 53.557 54.000 0.027 0.000 0.790 278 D CB -0.920 39.924 40.800 0.074 0.000 1.187 278 D HN 0.164 nan 8.370 nan 0.000 0.447 279 W N 0.249 121.552 121.300 0.005 0.000 3.083 279 W HA 0.715 5.376 4.660 0.002 0.000 0.333 279 W C -1.923 174.603 176.519 0.011 0.000 1.217 279 W CA -1.332 56.016 57.345 0.005 0.000 1.170 279 W CB 0.587 30.046 29.460 -0.001 0.000 1.437 279 W HN -0.305 nan 8.180 nan 0.000 0.557 280 I N 2.922 123.677 120.570 0.310 0.000 2.582 280 I HA 0.333 4.503 4.170 0.001 0.000 0.292 280 I C 0.002 176.347 176.117 0.380 0.000 1.066 280 I CA -0.746 60.681 61.300 0.210 0.000 1.053 280 I CB 2.542 40.594 38.000 0.086 0.000 1.241 280 I HN 0.456 nan 8.210 nan 0.000 0.421 281 S N 6.661 122.600 115.700 0.399 0.000 2.532 281 S HA 0.860 5.330 4.470 0.001 0.000 0.301 281 S C -0.973 173.719 174.600 0.153 0.000 1.083 281 S CA -0.734 57.631 58.200 0.275 0.000 1.025 281 S CB 2.326 65.713 63.200 0.310 0.000 1.056 281 S HN 0.636 nan 8.310 nan 0.000 0.494 282 L N 1.953 123.225 121.223 0.082 0.000 2.470 282 L HA 0.666 5.006 4.340 0.001 0.000 0.268 282 L C -2.040 174.809 176.870 -0.035 0.000 0.964 282 L CA -0.271 54.589 54.840 0.034 0.000 0.839 282 L CB 1.976 44.059 42.059 0.039 0.000 1.276 282 L HN 0.835 nan 8.230 nan 0.000 0.403 283 D N 4.685 125.020 120.400 -0.108 0.000 2.757 283 D HA 0.328 4.969 4.640 0.001 0.000 0.249 283 D C 0.256 176.354 176.300 -0.337 0.000 1.168 283 D CA -0.445 53.387 54.000 -0.281 0.000 0.870 283 D CB 1.918 42.430 40.800 -0.480 0.000 1.411 283 D HN 0.477 nan 8.370 nan 0.000 0.525 284 M N 1.498 120.957 119.600 -0.235 0.000 2.541 284 M HA 0.027 4.508 4.480 0.001 0.000 0.252 284 M C 0.140 176.417 176.300 -0.038 0.000 1.125 284 M CA 0.264 55.499 55.300 -0.108 0.000 1.091 284 M CB -0.715 31.859 32.600 -0.044 0.000 1.420 284 M HN 0.481 nan 8.290 nan 0.000 0.486 285 H N 0.350 119.428 119.070 0.014 0.000 2.692 285 H HA -0.162 4.394 4.556 0.000 0.000 0.316 285 H C 1.389 176.722 175.328 0.008 0.000 1.176 285 H CA 0.923 56.978 56.048 0.011 0.000 1.142 285 H CB -2.198 27.572 29.762 0.013 0.000 1.475 285 H HN 0.655 nan 8.280 nan 0.000 0.423 286 G N -0.794 108.047 108.800 0.068 0.000 2.189 286 G HA2 -0.357 3.604 3.960 0.001 0.000 0.267 286 G HA3 -0.357 3.604 3.960 0.001 0.000 0.267 286 G C 0.492 175.417 174.900 0.041 0.000 0.975 286 G CA 0.846 45.974 45.100 0.046 0.000 0.644 286 G HN 0.403 nan 8.290 nan 0.000 0.537 287 K N 0.433 120.865 120.400 0.053 0.000 2.185 287 K HA 0.365 4.685 4.320 0.001 0.000 0.271 287 K C 0.747 177.361 176.600 0.024 0.000 1.013 287 K CA -0.706 55.607 56.287 0.043 0.000 0.943 287 K CB 1.038 33.574 32.500 0.061 0.000 0.998 287 K HN 0.480 nan 8.250 nan 0.000 0.468 288 R N 3.289 123.801 120.500 0.020 0.000 2.390 288 R HA 0.170 4.510 4.340 0.001 0.000 0.291 288 R C -2.023 174.286 176.300 0.015 0.000 1.070 288 R CA -1.217 54.890 56.100 0.012 0.000 1.014 288 R CB 0.440 30.748 30.300 0.013 0.000 1.007 288 R HN 0.338 nan 8.270 nan 0.000 0.466 289 P HA 0.042 nan 4.420 nan 0.000 0.269 289 P C -1.209 176.101 177.300 0.016 0.000 1.215 289 P CA 0.048 63.153 63.100 0.009 0.000 0.780 289 P CB 0.686 32.379 31.700 -0.011 0.000 0.898 290 K N 0.996 121.411 120.400 0.024 0.000 2.156 290 K HA 0.471 4.792 4.320 0.001 0.000 0.271 290 K C 0.223 176.837 176.600 0.023 0.000 0.995 290 K CA -0.648 55.653 56.287 0.024 0.000 0.890 290 K CB 1.646 34.162 32.500 0.026 0.000 1.073 290 K HN 0.547 nan 8.250 nan 0.000 0.454 291 A N 2.218 125.048 122.820 0.017 0.000 2.561 291 A HA 0.193 4.513 4.320 0.001 0.000 0.234 291 A C 0.394 177.971 177.584 -0.012 0.000 1.055 291 A CA -0.152 51.888 52.037 0.006 0.000 0.756 291 A CB -0.150 18.851 19.000 0.002 0.000 0.986 291 A HN 0.546 nan 8.150 nan 0.000 0.505 292 V N 0.463 120.362 119.914 -0.025 0.000 3.074 292 V HA 0.659 4.779 4.120 0.001 0.000 0.314 292 V C -0.438 175.529 176.094 -0.211 0.000 1.117 292 V CA -1.257 60.997 62.300 -0.078 0.000 1.014 292 V CB 1.940 33.758 31.823 -0.008 0.000 1.057 292 V HN 0.873 nan 8.190 nan 0.000 0.438 293 N N 0.375 118.875 118.700 -0.334 0.000 2.372 293 N HA 0.771 5.511 4.740 0.001 0.000 0.291 293 N C -1.348 173.856 175.510 -0.509 0.000 1.024 293 N CA -0.563 52.112 53.050 -0.624 0.000 0.873 293 N CB 2.239 40.173 38.487 -0.923 0.000 1.206 293 N HN 0.626 nan 8.380 nan 0.000 0.486 294 V N 1.706 121.312 119.914 -0.515 0.000 2.789 294 V HA 0.490 4.610 4.120 0.001 0.000 0.311 294 V C -0.460 175.450 176.094 -0.308 0.000 1.073 294 V CA -0.778 61.213 62.300 -0.516 0.000 0.921 294 V CB 2.105 33.413 31.823 -0.858 0.000 1.009 294 V HN 0.646 nan 8.190 nan 0.000 0.426 295 R N 2.280 122.635 120.500 -0.242 0.000 2.451 295 R HA 0.535 4.875 4.340 0.001 0.000 0.307 295 R C -0.147 176.138 176.300 -0.024 0.000 0.965 295 R CA -0.267 55.792 56.100 -0.068 0.000 0.865 295 R CB 1.690 31.991 30.300 0.002 0.000 1.174 295 R HN 0.931 nan 8.270 nan 0.000 0.455 296 T N 1.275 115.853 114.554 0.041 0.000 2.918 296 T HA 0.687 5.037 4.350 0.001 0.000 0.302 296 T C 0.049 174.796 174.700 0.077 0.000 1.045 296 T CA -0.098 62.089 62.100 0.144 0.000 1.114 296 T CB 1.535 70.499 68.868 0.159 0.000 0.965 296 T HN 0.721 nan 8.240 nan 0.000 0.540 297 A N 3.059 125.922 122.820 0.072 0.000 2.544 297 A HA 0.715 5.036 4.320 0.001 0.000 0.291 297 A C -3.162 174.432 177.584 0.016 0.000 1.055 297 A CA -1.640 50.409 52.037 0.020 0.000 0.651 297 A CB 0.154 19.164 19.000 0.016 0.000 1.296 297 A HN 0.660 nan 8.150 nan 0.000 0.431 298 P HA 0.240 nan 4.420 nan 0.000 0.268 298 P C -0.303 177.024 177.300 0.046 0.000 1.208 298 P CA 0.414 63.526 63.100 0.020 0.000 0.777 298 P CB 0.119 31.823 31.700 0.006 0.000 0.875 299 H N 4.296 123.356 119.070 -0.017 0.000 3.092 299 H HA -0.016 4.542 4.556 0.002 0.000 0.332 299 H C -1.288 174.034 175.328 -0.010 0.000 1.029 299 H CA -0.425 55.613 56.048 -0.017 0.000 1.376 299 H CB 0.213 29.966 29.762 -0.015 0.000 1.329 299 H HN 0.314 nan 8.280 nan 0.000 0.598 300 P HA 0.188 nan 4.420 nan 0.000 0.258 300 P C -0.445 176.633 177.300 -0.369 0.000 1.416 300 P CA 0.022 62.478 63.100 -1.074 0.000 0.927 300 P CB -0.016 31.195 31.700 -0.815 0.000 1.444 301 A N 0.475 123.199 122.820 -0.161 0.000 2.325 301 A HA 0.231 4.552 4.320 0.001 0.000 0.260 301 A C -0.183 177.417 177.584 0.027 0.000 1.133 301 A CA -0.430 51.585 52.037 -0.036 0.000 0.801 301 A CB -0.518 18.483 19.000 0.002 0.000 1.092 301 A HN 0.181 nan 8.150 nan 0.000 0.504 302 F N 1.131 121.035 119.950 -0.078 0.000 2.578 302 F HA 0.353 4.880 4.527 -0.000 0.000 0.381 302 F C -1.965 173.809 175.800 -0.044 0.000 1.069 302 F CA -1.822 56.124 58.000 -0.089 0.000 1.231 302 F CB 0.474 39.380 39.000 -0.157 0.000 1.086 302 F HN 0.190 nan 8.300 nan 0.000 0.564 303 P HA 0.066 nan 4.420 nan 0.000 0.280 303 P C 0.464 177.787 177.300 0.038 0.000 1.244 303 P CA -0.198 62.839 63.100 -0.106 0.000 0.784 303 P CB 1.307 32.894 31.700 -0.190 0.000 0.913 304 T N 0.625 115.246 114.554 0.112 0.000 2.803 304 T HA -0.158 4.193 4.350 0.001 0.000 0.269 304 T C 0.993 175.777 174.700 0.140 0.000 1.052 304 T CA 1.648 63.847 62.100 0.166 0.000 1.136 304 T CB -0.776 68.198 68.868 0.177 0.000 0.864 304 T HN 0.290 nan 8.240 nan 0.000 0.467 305 D N 0.308 120.757 120.400 0.082 0.000 2.378 305 D HA 0.021 4.661 4.640 0.001 0.000 0.222 305 D C 1.329 177.653 176.300 0.040 0.000 0.980 305 D CA 0.578 54.607 54.000 0.048 0.000 0.907 305 D CB 0.032 40.843 40.800 0.019 0.000 0.899 305 D HN 0.390 nan 8.370 nan 0.000 0.527 306 M N -0.217 119.406 119.600 0.038 0.000 2.313 306 M HA 0.056 4.536 4.480 0.001 0.000 0.273 306 M C 1.584 178.115 176.300 0.386 0.000 1.049 306 M CA 0.105 55.470 55.300 0.109 0.000 1.004 306 M CB 0.452 32.941 32.600 -0.186 0.000 1.461 306 M HN -0.011 nan 8.290 nan 0.000 0.514 307 Q N 0.857 120.865 119.800 0.347 0.000 2.046 307 Q HA -0.091 4.250 4.340 0.001 0.000 0.200 307 Q C 1.695 177.825 176.000 0.216 0.000 0.975 307 Q CA 2.040 58.060 55.803 0.362 0.000 0.836 307 Q CB 0.124 29.012 28.738 0.249 0.000 0.896 307 Q HN 0.438 nan 8.270 nan 0.000 0.428 308 A N 0.575 123.364 122.820 -0.052 0.000 1.933 308 A HA -0.229 4.092 4.320 0.001 0.000 0.218 308 A C 1.997 179.539 177.584 -0.069 0.000 1.175 308 A CA 1.627 53.424 52.037 -0.400 0.000 0.628 308 A CB -0.461 17.974 19.000 -0.941 0.000 0.814 308 A HN 0.468 nan 8.150 nan 0.000 0.444 309 Q N -1.152 118.665 119.800 0.028 0.000 2.084 309 Q HA -0.088 4.252 4.340 0.001 0.000 0.202 309 Q C 1.615 177.644 176.000 0.049 0.000 0.978 309 Q CA 1.747 57.567 55.803 0.028 0.000 0.844 309 Q CB -0.452 28.306 28.738 0.033 0.000 0.898 309 Q HN 0.700 nan 8.270 nan 0.000 0.426 310 F N -0.086 119.935 119.950 0.117 0.000 2.456 310 F HA -0.084 4.445 4.527 0.002 0.000 0.298 310 F C 2.107 177.947 175.800 0.066 0.000 1.104 310 F CA 1.047 59.114 58.000 0.111 0.000 1.435 310 F CB -0.170 38.931 39.000 0.168 0.000 1.078 310 F HN 0.022 nan 8.300 nan 0.000 0.546 311 T N 0.513 115.216 114.554 0.250 0.000 2.746 311 T HA -0.199 4.151 4.350 0.001 0.000 0.267 311 T C 2.008 176.787 174.700 0.131 0.000 1.039 311 T CA 1.320 63.547 62.100 0.212 0.000 1.142 311 T CB -0.514 68.561 68.868 0.345 0.000 0.866 311 T HN 0.144 nan 8.240 nan 0.000 0.444 312 L N 1.330 122.608 121.223 0.091 0.000 2.017 312 L HA 0.061 4.402 4.340 0.001 0.000 0.208 312 L C 2.238 179.103 176.870 -0.007 0.000 1.073 312 L CA 1.495 56.355 54.840 0.033 0.000 0.745 312 L CB -0.953 41.105 42.059 -0.003 0.000 0.894 312 L HN 0.265 nan 8.230 nan 0.000 0.432 313 L N -0.259 120.932 121.223 -0.054 0.000 1.990 313 L HA -0.315 4.026 4.340 0.001 0.000 0.213 313 L C 2.290 179.147 176.870 -0.022 0.000 1.072 313 L CA 2.073 56.861 54.840 -0.087 0.000 0.755 313 L CB -0.645 41.284 42.059 -0.216 0.000 0.889 313 L HN 0.400 nan 8.230 nan 0.000 0.432 314 N N -0.049 118.663 118.700 0.019 0.000 2.149 314 N HA -0.187 4.553 4.740 0.001 0.000 0.188 314 N C 1.786 177.309 175.510 0.021 0.000 1.019 314 N CA 1.518 54.584 53.050 0.026 0.000 0.857 314 N CB -0.416 38.093 38.487 0.036 0.000 0.997 314 N HN 0.403 nan 8.380 nan 0.000 0.426 315 L N 0.191 121.429 121.223 0.024 0.000 2.465 315 L HA -0.018 4.323 4.340 0.001 0.000 0.224 315 L C 1.300 178.175 176.870 0.007 0.000 1.145 315 L CA 0.448 55.301 54.840 0.022 0.000 0.834 315 L CB 0.061 42.135 42.059 0.025 0.000 0.944 315 L HN 0.068 nan 8.230 nan 0.000 0.451 316 V N -4.770 115.144 119.914 0.000 0.000 3.159 316 V HA 0.546 4.666 4.120 0.001 0.000 0.333 316 V C 0.655 176.750 176.094 0.002 0.000 1.424 316 V CA -0.279 62.018 62.300 -0.005 0.000 1.125 316 V CB -0.302 31.510 31.823 -0.017 0.000 1.075 316 V HN 0.090 nan 8.190 nan 0.000 0.482 317 A N 0.149 122.975 122.820 0.011 0.000 2.248 317 A HA 0.689 5.009 4.320 0.001 0.000 0.316 317 A C 0.015 177.616 177.584 0.028 0.000 1.101 317 A CA -0.638 51.408 52.037 0.015 0.000 0.875 317 A CB 0.725 19.733 19.000 0.013 0.000 1.207 317 A HN 0.487 nan 8.150 nan 0.000 0.504 318 E N -0.329 119.887 120.200 0.027 0.000 2.105 318 E HA 0.451 4.802 4.350 0.001 0.000 0.285 318 E C 0.513 177.136 176.600 0.039 0.000 1.055 318 E CA 1.005 57.425 56.400 0.034 0.000 0.843 318 E CB 0.202 29.919 29.700 0.029 0.000 1.067 318 E HN 1.308 nan 8.360 nan 0.000 0.398 319 G N 2.725 111.557 108.800 0.054 0.000 2.466 319 G HA2 -0.172 3.788 3.960 0.001 0.000 0.316 319 G HA3 -0.172 3.788 3.960 0.001 0.000 0.316 319 G C -0.586 174.357 174.900 0.072 0.000 1.270 319 G CA -0.595 44.542 45.100 0.062 0.000 0.982 319 G HN 0.473 nan 8.290 nan 0.000 0.506 320 T N 0.549 115.143 114.554 0.065 0.000 2.797 320 T HA 0.742 5.092 4.350 0.001 0.000 0.279 320 T C 0.443 175.141 174.700 -0.003 0.000 0.991 320 T CA 0.462 62.580 62.100 0.030 0.000 0.979 320 T CB 1.555 70.477 68.868 0.090 0.000 0.943 320 T HN 1.747 nan 8.240 nan 0.000 0.444 321 G N 1.999 110.774 108.800 -0.043 0.000 2.612 321 G HA2 0.739 4.700 3.960 0.001 0.000 0.298 321 G HA3 0.739 4.700 3.960 0.001 0.000 0.298 321 G C -1.377 173.511 174.900 -0.020 0.000 1.336 321 G CA -0.928 44.133 45.100 -0.066 0.000 0.953 321 G HN 0.664 nan 8.290 nan 0.000 0.482 322 F N -0.252 119.658 119.950 -0.066 0.000 2.561 322 F HA 0.861 5.388 4.527 -0.001 0.000 0.321 322 F C -0.759 175.009 175.800 -0.053 0.000 1.065 322 F CA -1.676 56.282 58.000 -0.069 0.000 0.934 322 F CB 1.847 40.805 39.000 -0.070 0.000 1.215 322 F HN 0.293 nan 8.300 nan 0.000 0.471 323 I N 2.308 123.004 120.570 0.211 0.000 2.447 323 I HA 0.318 4.488 4.170 0.001 0.000 0.287 323 I C -0.932 175.347 176.117 0.270 0.000 1.023 323 I CA -0.542 60.843 61.300 0.141 0.000 1.083 323 I CB 2.271 40.350 38.000 0.131 0.000 1.245 323 I HN 0.699 nan 8.210 nan 0.000 0.434 324 T N 4.293 118.990 114.554 0.238 0.000 2.797 324 T HA 0.299 4.649 4.350 0.001 0.000 0.279 324 T C -0.411 174.410 174.700 0.202 0.000 0.991 324 T CA -0.445 61.801 62.100 0.243 0.000 0.979 324 T CB 1.719 70.714 68.868 0.212 0.000 0.943 324 T HN 0.484 nan 8.240 nan 0.000 0.444 325 E N 1.644 121.999 120.200 0.258 0.000 2.113 325 E HA 0.390 4.740 4.350 0.001 0.000 0.273 325 E C 0.820 177.479 176.600 0.099 0.000 0.924 325 E CA -0.592 55.902 56.400 0.156 0.000 0.764 325 E CB 0.819 30.570 29.700 0.085 0.000 1.104 325 E HN 0.650 nan 8.360 nan 0.000 0.406 326 T N 0.521 115.103 114.554 0.047 0.000 3.044 326 T HA 0.148 4.498 4.350 0.001 0.000 0.260 326 T C 0.979 175.646 174.700 -0.055 0.000 1.019 326 T CA 0.436 62.543 62.100 0.011 0.000 0.921 326 T CB 0.174 69.048 68.868 0.010 0.000 1.053 326 T HN 0.201 nan 8.240 nan 0.000 0.533 327 V N -0.300 119.547 119.914 -0.113 0.000 2.521 327 V HA 0.421 4.541 4.120 0.001 0.000 0.239 327 V C 0.079 175.881 176.094 -0.486 0.000 1.053 327 V CA 0.352 62.454 62.300 -0.330 0.000 1.073 327 V CB -0.212 31.361 31.823 -0.418 0.000 0.746 327 V HN 0.426 nan 8.190 nan 0.000 0.476 328 F N 0.704 120.636 119.950 -0.029 0.000 2.434 328 F HA 0.450 4.979 4.527 0.003 0.000 0.367 328 F C 1.089 176.840 175.800 -0.082 0.000 1.093 328 F CA -1.053 56.915 58.000 -0.054 0.000 1.085 328 F CB 0.758 39.713 39.000 -0.075 0.000 1.322 328 F HN 0.038 nan 8.300 nan 0.000 0.452 329 E N 0.934 121.210 120.200 0.127 0.000 2.478 329 E HA -0.052 4.298 4.350 0.001 0.000 0.198 329 E C 0.471 177.148 176.600 0.128 0.000 1.046 329 E CA 0.545 57.012 56.400 0.111 0.000 0.870 329 E CB 0.102 29.867 29.700 0.108 0.000 0.818 329 E HN 0.449 nan 8.360 nan 0.000 0.527 330 N N 0.920 119.664 118.700 0.073 0.000 2.416 330 N HA 0.062 4.802 4.740 0.001 0.000 0.267 330 N C -0.431 175.054 175.510 -0.043 0.000 1.294 330 N CA -0.011 53.090 53.050 0.085 0.000 0.891 330 N CB 0.683 39.223 38.487 0.089 0.000 1.238 330 N HN -0.038 nan 8.380 nan 0.000 0.508 331 R N 0.687 121.013 120.500 -0.289 0.000 3.956 331 R HA 0.202 4.543 4.340 0.001 0.000 0.237 331 R C -0.583 175.426 176.300 -0.484 0.000 1.552 331 R CA -0.062 55.855 56.100 -0.304 0.000 1.529 331 R CB -0.362 29.812 30.300 -0.210 0.000 1.376 331 R HN -0.023 nan 8.270 nan 0.000 0.733 332 F N 0.019 119.984 119.950 0.024 0.000 2.817 332 F HA 0.198 4.725 4.527 -0.000 0.000 0.319 332 F C 1.338 176.932 175.800 -0.342 0.000 1.136 332 F CA -0.351 57.519 58.000 -0.218 0.000 1.177 332 F CB 0.371 39.283 39.000 -0.147 0.000 1.088 332 F HN 0.190 nan 8.300 nan 0.000 0.520 333 M N -0.268 119.333 119.600 0.002 0.000 2.267 333 M HA -0.213 4.268 4.480 0.001 0.000 0.263 333 M C 2.217 178.509 176.300 -0.012 0.000 1.063 333 M CA 1.890 57.189 55.300 -0.002 0.000 1.090 333 M CB -0.784 31.823 32.600 0.011 0.000 1.392 333 M HN 0.445 nan 8.290 nan 0.000 0.422 334 H N -1.505 117.601 119.070 0.060 0.000 2.457 334 H HA -0.051 4.506 4.556 0.000 0.000 0.297 334 H C 1.832 177.202 175.328 0.071 0.000 1.092 334 H CA 1.182 57.262 56.048 0.053 0.000 1.309 334 H CB -0.995 28.800 29.762 0.056 0.000 1.382 334 H HN 0.113 nan 8.280 nan 0.000 0.535 335 V N 1.752 121.497 119.914 -0.282 0.000 2.237 335 V HA -0.177 3.944 4.120 0.001 0.000 0.245 335 V C -0.241 175.834 176.094 -0.031 0.000 1.046 335 V CA 2.153 64.382 62.300 -0.119 0.000 1.007 335 V CB -1.228 30.499 31.823 -0.161 0.000 0.638 335 V HN 0.456 nan 8.190 nan 0.000 0.445 336 P HA -0.134 nan 4.420 nan 0.000 0.218 336 P C 1.529 178.835 177.300 0.010 0.000 1.148 336 P CA 1.245 64.342 63.100 -0.006 0.000 0.822 336 P CB -0.047 31.649 31.700 -0.005 0.000 0.784 337 E N -0.253 119.958 120.200 0.018 0.000 2.047 337 E HA -0.093 4.257 4.350 0.001 0.000 0.191 337 E C 2.180 178.798 176.600 0.029 0.000 0.987 337 E CA 0.938 57.355 56.400 0.028 0.000 0.799 337 E CB -1.005 28.719 29.700 0.040 0.000 0.752 337 E HN 0.317 nan 8.360 nan 0.000 0.449 338 L N 0.947 122.194 121.223 0.040 0.000 2.191 338 L HA -0.144 4.196 4.340 0.001 0.000 0.212 338 L C 2.447 179.324 176.870 0.013 0.000 1.103 338 L CA 0.771 55.630 54.840 0.033 0.000 0.769 338 L CB -0.315 41.779 42.059 0.057 0.000 0.908 338 L HN 0.020 nan 8.230 nan 0.000 0.438 339 S N -0.403 115.307 115.700 0.016 0.000 2.399 339 S HA -0.113 4.357 4.470 0.001 0.000 0.231 339 S C 1.959 176.565 174.600 0.011 0.000 1.022 339 S CA 0.940 59.149 58.200 0.015 0.000 0.983 339 S CB -0.146 63.070 63.200 0.027 0.000 0.803 339 S HN 0.399 nan 8.310 nan 0.000 0.480 340 R N 0.582 121.089 120.500 0.012 0.000 2.193 340 R HA 0.098 4.438 4.340 0.001 0.000 0.229 340 R C 1.379 177.681 176.300 0.003 0.000 1.110 340 R CA 0.891 56.998 56.100 0.011 0.000 0.988 340 R CB -0.266 30.042 30.300 0.014 0.000 0.871 340 R HN 0.442 nan 8.270 nan 0.000 0.458 341 M N -0.567 119.031 119.600 -0.004 0.000 2.453 341 M HA 0.195 4.675 4.480 0.001 0.000 0.239 341 M C 0.587 176.864 176.300 -0.038 0.000 1.151 341 M CA 0.280 55.572 55.300 -0.014 0.000 0.989 341 M CB 1.267 33.861 32.600 -0.009 0.000 1.548 341 M HN 0.376 nan 8.290 nan 0.000 0.479 342 G N 0.804 109.574 108.800 -0.050 0.000 2.141 342 G HA2 -0.187 3.774 3.960 0.001 0.000 0.231 342 G HA3 -0.187 3.774 3.960 0.001 0.000 0.231 342 G C 0.177 174.925 174.900 -0.253 0.000 0.984 342 G CA -0.008 45.027 45.100 -0.109 0.000 0.660 342 G HN 0.667 nan 8.290 nan 0.000 0.525 343 A N 0.260 122.984 122.820 -0.160 0.000 2.366 343 A HA 0.619 4.940 4.320 0.001 0.000 0.249 343 A C 0.133 177.630 177.584 -0.144 0.000 1.084 343 A CA -0.046 51.888 52.037 -0.172 0.000 0.794 343 A CB 0.243 19.218 19.000 -0.042 0.000 1.034 343 A HN 0.512 nan 8.150 nan 0.000 0.491 344 H N 0.212 119.319 119.070 0.063 0.000 2.685 344 H HA 0.657 5.213 4.556 0.000 0.000 0.307 344 H C -0.145 175.258 175.328 0.124 0.000 1.017 344 H CA 0.197 56.300 56.048 0.093 0.000 1.237 344 H CB 1.016 30.850 29.762 0.120 0.000 1.409 344 H HN 0.881 nan 8.280 nan 0.000 0.488 345 A N 3.275 126.218 122.820 0.205 0.000 2.572 345 A HA 0.614 4.935 4.320 0.001 0.000 0.295 345 A C -0.844 176.778 177.584 0.063 0.000 1.072 345 A CA -0.927 51.172 52.037 0.102 0.000 0.691 345 A CB 2.227 21.244 19.000 0.027 0.000 1.291 345 A HN 0.620 nan 8.150 nan 0.000 0.404 346 E N 1.396 121.606 120.200 0.016 0.000 2.317 346 E HA 0.634 4.984 4.350 0.001 0.000 0.270 346 E C -1.442 175.091 176.600 -0.112 0.000 0.885 346 E CA -0.644 55.740 56.400 -0.027 0.000 0.760 346 E CB 1.971 31.677 29.700 0.009 0.000 1.227 346 E HN 0.496 nan 8.360 nan 0.000 0.434 347 I N 1.668 122.149 120.570 -0.148 0.000 2.330 347 I HA 0.179 4.349 4.170 0.001 0.000 0.289 347 I C -0.220 175.797 176.117 -0.167 0.000 1.001 347 I CA -0.674 60.477 61.300 -0.249 0.000 1.193 347 I CB 1.204 39.019 38.000 -0.308 0.000 1.345 347 I HN 0.245 nan 8.210 nan 0.000 0.461 348 E N 5.163 125.264 120.200 -0.164 0.000 2.073 348 E HA 0.334 4.684 4.350 0.001 0.000 0.269 348 E C 0.217 176.760 176.600 -0.096 0.000 0.917 348 E CA -0.041 56.293 56.400 -0.109 0.000 0.757 348 E CB 1.611 31.249 29.700 -0.102 0.000 1.111 348 E HN 0.756 nan 8.360 nan 0.000 0.410 349 S N 3.953 119.618 115.700 -0.058 0.000 4.140 349 S HA -0.352 4.119 4.470 0.001 0.000 0.618 349 S C 0.631 175.245 174.600 0.024 0.000 1.896 349 S CA 2.113 60.306 58.200 -0.012 0.000 4.240 349 S CB -1.122 62.072 63.200 -0.011 0.000 0.208 349 S HN 0.817 nan 8.310 nan 0.000 0.487 350 N N 0.357 119.099 118.700 0.069 0.000 2.321 350 N HA 0.391 5.132 4.740 0.001 0.000 0.242 350 N C -0.654 174.972 175.510 0.193 0.000 1.141 350 N CA 0.047 53.230 53.050 0.221 0.000 0.864 350 N CB 0.996 39.615 38.487 0.219 0.000 1.100 350 N HN 0.301 nan 8.380 nan 0.000 0.510 351 T N 0.417 114.955 114.554 -0.026 0.000 2.812 351 T HA 0.270 4.621 4.350 0.001 0.000 0.282 351 T C -0.927 173.616 174.700 -0.262 0.000 0.990 351 T CA -0.655 61.413 62.100 -0.053 0.000 0.960 351 T CB 2.260 71.084 68.868 -0.073 0.000 0.948 351 T HN 0.045 nan 8.240 nan 0.000 0.438 352 V N 5.798 125.554 119.914 -0.263 0.000 2.407 352 V HA 0.565 4.685 4.120 0.001 0.000 0.278 352 V C -0.556 175.497 176.094 -0.069 0.000 1.037 352 V CA -0.744 61.393 62.300 -0.273 0.000 0.900 352 V CB 0.330 31.977 31.823 -0.293 0.000 0.983 352 V HN 0.797 nan 8.190 nan 0.000 0.459 353 I N 7.217 127.730 120.570 -0.095 0.000 2.312 353 I HA 0.381 4.551 4.170 0.001 0.000 0.290 353 I C -0.271 175.716 176.117 -0.216 0.000 1.008 353 I CA -0.264 60.977 61.300 -0.098 0.000 1.226 353 I CB 0.882 38.827 38.000 -0.091 0.000 1.371 353 I HN 0.510 nan 8.210 nan 0.000 0.468 354 C N 5.360 124.515 119.300 -0.241 0.000 2.355 354 C HA 0.465 4.925 4.460 0.001 0.000 0.332 354 C C 0.002 174.748 174.990 -0.407 0.000 1.255 354 C CA -0.647 58.239 59.018 -0.220 0.000 1.792 354 C CB 0.306 28.011 27.740 -0.058 0.000 2.300 354 C HN 0.625 nan 8.230 nan 0.000 0.515 355 H N 1.307 120.429 119.070 0.088 0.000 2.792 355 H HA 0.310 4.866 4.556 0.001 0.000 0.298 355 H C 0.494 175.884 175.328 0.104 0.000 1.042 355 H CA -0.067 56.037 56.048 0.092 0.000 1.300 355 H CB 1.165 30.983 29.762 0.093 0.000 1.431 355 H HN 0.950 nan 8.280 nan 0.000 0.496 356 G N 2.505 111.390 108.800 0.142 0.000 2.272 356 G HA2 0.255 4.215 3.960 0.001 0.000 0.247 356 G HA3 0.255 4.215 3.960 0.001 0.000 0.247 356 G C 0.662 175.621 174.900 0.099 0.000 1.272 356 G CA -0.192 44.962 45.100 0.091 0.000 0.921 356 G HN 0.463 nan 8.290 nan 0.000 0.495 357 V N 0.524 120.467 119.914 0.048 0.000 3.096 357 V HA 0.566 4.687 4.120 0.001 0.000 0.319 357 V C 1.011 177.110 176.094 0.008 0.000 1.082 357 V CA -0.645 61.669 62.300 0.025 0.000 1.022 357 V CB 2.106 33.891 31.823 -0.062 0.000 1.103 357 V HN 0.613 nan 8.190 nan 0.000 0.455 358 E N 1.150 121.356 120.200 0.010 0.000 2.086 358 E HA 0.063 4.413 4.350 0.001 0.000 0.190 358 E C 0.360 176.958 176.600 -0.004 0.000 0.975 358 E CA 1.217 57.622 56.400 0.008 0.000 0.813 358 E CB 0.275 29.984 29.700 0.015 0.000 0.768 358 E HN 0.888 nan 8.360 nan 0.000 0.457 359 K N -0.550 119.842 120.400 -0.014 0.000 2.546 359 K HA 0.383 4.703 4.320 0.001 0.000 0.264 359 K C -0.665 175.914 176.600 -0.034 0.000 0.937 359 K CA -0.678 55.597 56.287 -0.020 0.000 0.833 359 K CB 1.102 33.594 32.500 -0.012 0.000 1.378 359 K HN -0.154 nan 8.250 nan 0.000 0.432 360 L N 1.080 122.282 121.223 -0.034 0.000 2.431 360 L HA 0.449 4.789 4.340 0.001 0.000 0.260 360 L C -0.161 176.694 176.870 -0.026 0.000 1.098 360 L CA -0.898 53.918 54.840 -0.039 0.000 0.800 360 L CB 1.677 43.715 42.059 -0.035 0.000 1.210 360 L HN 0.723 nan 8.230 nan 0.000 0.465 361 S N -0.552 115.134 115.700 -0.024 0.000 2.482 361 S HA 0.524 4.994 4.470 0.001 0.000 0.303 361 S C 0.115 174.711 174.600 -0.008 0.000 1.091 361 S CA -0.780 57.412 58.200 -0.013 0.000 1.057 361 S CB 1.652 64.846 63.200 -0.011 0.000 1.031 361 S HN 0.805 nan 8.310 nan 0.000 0.485 362 G N 1.181 109.979 108.800 -0.003 0.000 2.484 362 G HA2 0.482 4.443 3.960 0.001 0.000 0.235 362 G HA3 0.482 4.443 3.960 0.001 0.000 0.235 362 G C -0.152 174.752 174.900 0.006 0.000 1.282 362 G CA 0.229 45.330 45.100 0.002 0.000 0.857 362 G HN 1.130 nan 8.290 nan 0.000 0.571 363 A N 1.591 124.417 122.820 0.010 0.000 2.540 363 A HA 0.641 4.961 4.320 0.001 0.000 0.291 363 A C -0.631 176.964 177.584 0.019 0.000 1.083 363 A CA -0.806 51.239 52.037 0.013 0.000 0.650 363 A CB 0.771 19.777 19.000 0.011 0.000 1.292 363 A HN 0.698 nan 8.150 nan 0.000 0.435 364 Q N 0.413 120.225 119.800 0.019 0.000 2.295 364 Q HA 0.495 4.836 4.340 0.001 0.000 0.259 364 Q C -0.088 175.925 176.000 0.023 0.000 0.976 364 Q CA -0.439 55.378 55.803 0.023 0.000 0.923 364 Q CB 1.244 29.994 28.738 0.021 0.000 1.185 364 Q HN 0.983 nan 8.270 nan 0.000 0.410 365 V N -0.368 119.562 119.914 0.027 0.000 3.102 365 V HA 0.683 4.803 4.120 0.001 0.000 0.312 365 V C -0.752 175.357 176.094 0.024 0.000 1.135 365 V CA -1.274 61.041 62.300 0.025 0.000 1.022 365 V CB 2.267 34.107 31.823 0.027 0.000 1.056 365 V HN 0.851 nan 8.190 nan 0.000 0.436 366 M N 2.784 122.395 119.600 0.019 0.000 2.190 366 M HA 0.791 5.272 4.480 0.001 0.000 0.312 366 M C -0.101 176.195 176.300 -0.006 0.000 0.990 366 M CA -0.569 54.738 55.300 0.012 0.000 0.927 366 M CB 1.430 34.039 32.600 0.016 0.000 1.571 366 M HN 1.207 nan 8.290 nan 0.000 0.427 367 A N 2.934 125.744 122.820 -0.016 0.000 2.371 367 A HA 0.577 4.897 4.320 0.001 0.000 0.257 367 A C 0.677 178.155 177.584 -0.177 0.000 1.089 367 A CA 0.224 52.225 52.037 -0.059 0.000 0.794 367 A CB 0.149 19.129 19.000 -0.032 0.000 1.029 367 A HN 0.968 nan 8.150 nan 0.000 0.488 368 T N -2.435 111.892 114.554 -0.377 0.000 3.123 368 T HA 0.188 4.539 4.350 0.001 0.000 0.266 368 T C -0.301 173.897 174.700 -0.836 0.000 0.873 368 T CA 0.398 62.050 62.100 -0.747 0.000 0.854 368 T CB 0.053 68.731 68.868 -0.318 0.000 1.254 368 T HN 0.587 nan 8.240 nan 0.000 0.570 369 D N 1.178 121.325 120.400 -0.423 0.000 2.481 369 D HA 0.307 4.948 4.640 0.001 0.000 0.246 369 D C 1.042 177.287 176.300 -0.093 0.000 1.109 369 D CA -0.629 53.234 54.000 -0.229 0.000 0.845 369 D CB 2.033 42.752 40.800 -0.135 0.000 1.160 369 D HN -0.027 nan 8.370 nan 0.000 0.534 370 L N 4.652 125.851 121.223 -0.039 0.000 2.151 370 L HA -0.241 4.100 4.340 0.001 0.000 0.219 370 L C 1.847 178.755 176.870 0.063 0.000 1.083 370 L CA 1.956 56.817 54.840 0.035 0.000 0.782 370 L CB -0.046 42.012 42.059 -0.003 0.000 0.891 370 L HN 0.436 nan 8.230 nan 0.000 0.439 371 R N -2.389 118.131 120.500 0.034 0.000 2.194 371 R HA 0.329 4.670 4.340 0.001 0.000 0.194 371 R C 2.032 178.406 176.300 0.124 0.000 0.985 371 R CA 0.931 57.099 56.100 0.115 0.000 1.104 371 R CB -0.887 29.418 30.300 0.009 0.000 1.092 371 R HN 0.353 nan 8.270 nan 0.000 0.555 372 A N 0.980 123.802 122.820 0.003 0.000 1.933 372 A HA -0.092 4.229 4.320 0.001 0.000 0.218 372 A C 2.041 179.583 177.584 -0.071 0.000 1.175 372 A CA 1.748 53.737 52.037 -0.081 0.000 0.628 372 A CB -0.418 18.507 19.000 -0.125 0.000 0.814 372 A HN 0.204 nan 8.150 nan 0.000 0.444 373 S N -0.250 115.436 115.700 -0.023 0.000 2.507 373 S HA 0.108 4.579 4.470 0.001 0.000 0.235 373 S C 2.017 176.601 174.600 -0.026 0.000 0.988 373 S CA 0.667 58.858 58.200 -0.016 0.000 0.944 373 S CB -0.299 62.884 63.200 -0.028 0.000 0.762 373 S HN 0.768 nan 8.310 nan 0.000 0.526 374 A N 1.887 124.676 122.820 -0.052 0.000 2.024 374 A HA -0.128 4.193 4.320 0.001 0.000 0.220 374 A C 2.298 179.782 177.584 -0.165 0.000 1.164 374 A CA 1.786 53.703 52.037 -0.200 0.000 0.643 374 A CB -0.837 17.879 19.000 -0.473 0.000 0.806 374 A HN 0.636 nan 8.150 nan 0.000 0.451 375 S N 0.029 115.664 115.700 -0.109 0.000 2.423 375 S HA -0.082 4.389 4.470 0.001 0.000 0.231 375 S C 1.809 176.381 174.600 -0.047 0.000 1.014 375 S CA 1.306 59.454 58.200 -0.086 0.000 0.965 375 S CB -0.703 62.453 63.200 -0.074 0.000 0.785 375 S HN 0.497 nan 8.310 nan 0.000 0.495 376 L N 1.029 122.240 121.223 -0.021 0.000 2.056 376 L HA -0.039 4.301 4.340 0.001 0.000 0.207 376 L C 2.693 179.558 176.870 -0.008 0.000 1.078 376 L CA 0.954 55.797 54.840 0.004 0.000 0.749 376 L CB -0.829 41.246 42.059 0.026 0.000 0.901 376 L HN 0.247 nan 8.230 nan 0.000 0.433 377 V N -0.252 119.647 119.914 -0.025 0.000 2.295 377 V HA -0.272 3.848 4.120 0.001 0.000 0.246 377 V C 2.462 178.502 176.094 -0.090 0.000 1.049 377 V CA 1.377 63.647 62.300 -0.050 0.000 1.024 377 V CB -0.450 31.317 31.823 -0.094 0.000 0.648 377 V HN 0.225 nan 8.190 nan 0.000 0.447 378 L N 0.651 121.807 121.223 -0.113 0.000 2.012 378 L HA -0.168 4.173 4.340 0.001 0.000 0.210 378 L C 2.651 179.480 176.870 -0.068 0.000 1.073 378 L CA 2.351 57.128 54.840 -0.106 0.000 0.748 378 L CB -1.290 40.693 42.059 -0.127 0.000 0.891 378 L HN 0.300 nan 8.230 nan 0.000 0.431 379 A N -0.583 122.208 122.820 -0.049 0.000 1.908 379 A HA -0.165 4.155 4.320 0.001 0.000 0.218 379 A C 2.444 180.012 177.584 -0.027 0.000 1.181 379 A CA 1.822 53.841 52.037 -0.030 0.000 0.627 379 A CB -1.460 17.532 19.000 -0.012 0.000 0.818 379 A HN 0.461 nan 8.150 nan 0.000 0.445 380 G N -0.776 108.009 108.800 -0.025 0.000 2.469 380 G HA2 -0.321 3.640 3.960 0.001 0.000 0.219 380 G HA3 -0.321 3.640 3.960 0.001 0.000 0.219 380 G C 1.575 176.457 174.900 -0.030 0.000 1.150 380 G CA 1.372 46.459 45.100 -0.020 0.000 0.763 380 G HN 0.551 nan 8.290 nan 0.000 0.561 381 C N 0.780 120.053 119.300 -0.045 0.000 2.422 381 C HA 0.003 4.464 4.460 0.001 0.000 0.279 381 C C 2.661 177.631 174.990 -0.033 0.000 1.305 381 C CA 0.891 59.883 59.018 -0.044 0.000 1.757 381 C CB -1.020 26.688 27.740 -0.053 0.000 1.962 381 C HN 0.665 nan 8.230 nan 0.000 0.499 382 I N -1.069 119.482 120.570 -0.032 0.000 3.968 382 I HA 0.379 4.549 4.170 0.001 0.000 0.328 382 I C 1.092 177.196 176.117 -0.022 0.000 1.290 382 I CA -0.092 61.192 61.300 -0.026 0.000 1.163 382 I CB -0.385 37.597 38.000 -0.029 0.000 1.024 382 I HN 0.076 nan 8.210 nan 0.000 0.413 383 A N 1.781 124.589 122.820 -0.020 0.000 2.346 383 A HA 0.264 4.584 4.320 0.001 0.000 0.252 383 A C -0.022 177.554 177.584 -0.013 0.000 1.089 383 A CA -0.175 51.852 52.037 -0.017 0.000 0.797 383 A CB 0.257 19.249 19.000 -0.014 0.000 1.047 383 A HN 0.420 nan 8.150 nan 0.000 0.494 384 E N 0.152 120.345 120.200 -0.011 0.000 2.070 384 E HA 0.468 4.818 4.350 0.001 0.000 0.282 384 E C 0.742 177.339 176.600 -0.005 0.000 1.104 384 E CA 1.381 57.776 56.400 -0.007 0.000 0.876 384 E CB -0.327 29.369 29.700 -0.007 0.000 1.055 384 E HN 1.488 nan 8.360 nan 0.000 0.401 385 G N 3.237 112.035 108.800 -0.004 0.000 2.501 385 G HA2 -0.174 3.786 3.960 0.001 0.000 0.213 385 G HA3 -0.174 3.786 3.960 0.001 0.000 0.213 385 G C -0.537 174.364 174.900 0.001 0.000 1.158 385 G CA -0.311 44.789 45.100 -0.000 0.000 1.079 385 G HN 0.573 nan 8.290 nan 0.000 0.586 386 T N 1.546 116.103 114.554 0.005 0.000 2.770 386 T HA 0.670 5.020 4.350 0.001 0.000 0.283 386 T C -0.301 174.407 174.700 0.014 0.000 0.988 386 T CA 0.229 62.335 62.100 0.010 0.000 0.957 386 T CB 1.540 70.415 68.868 0.013 0.000 0.930 386 T HN 0.704 nan 8.240 nan 0.000 0.443 387 T N 2.846 117.410 114.554 0.017 0.000 2.823 387 T HA 0.535 4.885 4.350 0.001 0.000 0.279 387 T C -0.310 174.414 174.700 0.041 0.000 0.998 387 T CA -0.527 61.587 62.100 0.024 0.000 0.994 387 T CB 1.258 70.138 68.868 0.019 0.000 0.960 387 T HN 0.310 nan 8.240 nan 0.000 0.448 388 V N 4.018 123.958 119.914 0.044 0.000 2.357 388 V HA 0.331 4.452 4.120 0.001 0.000 0.284 388 V C -0.123 176.007 176.094 0.060 0.000 1.018 388 V CA -0.771 61.563 62.300 0.058 0.000 0.841 388 V CB 1.594 33.443 31.823 0.043 0.000 0.991 388 V HN 0.721 nan 8.190 nan 0.000 0.437 389 V N 4.232 124.200 119.914 0.090 0.000 2.334 389 V HA 0.267 4.388 4.120 0.001 0.000 0.267 389 V C 0.171 176.283 176.094 0.030 0.000 1.040 389 V CA -0.364 61.982 62.300 0.077 0.000 0.866 389 V CB 1.218 33.122 31.823 0.135 0.000 1.019 389 V HN 0.843 nan 8.190 nan 0.000 0.468 390 D N 3.892 124.301 120.400 0.016 0.000 2.304 390 D HA 0.281 4.921 4.640 0.001 0.000 0.247 390 D C 0.848 177.137 176.300 -0.019 0.000 1.089 390 D CA -0.210 53.791 54.000 0.001 0.000 0.910 390 D CB 0.502 41.314 40.800 0.020 0.000 1.199 390 D HN 0.543 nan 8.370 nan 0.000 0.426 391 R N 2.013 122.502 120.500 -0.019 0.000 3.407 391 R HA -0.147 4.193 4.340 0.001 0.000 0.277 391 R C 0.988 177.155 176.300 -0.222 0.000 1.119 391 R CA 0.704 56.785 56.100 -0.031 0.000 0.750 391 R CB -2.022 28.290 30.300 0.020 0.000 1.258 391 R HN 0.644 nan 8.270 nan 0.000 0.432 392 I N -1.293 119.157 120.570 -0.199 0.000 3.334 392 I HA -0.136 4.035 4.170 0.001 0.000 0.282 392 I C 1.789 177.783 176.117 -0.205 0.000 1.313 392 I CA 0.656 61.808 61.300 -0.247 0.000 1.396 392 I CB -0.562 37.134 38.000 -0.507 0.000 1.054 392 I HN 0.381 nan 8.210 nan 0.000 0.495 393 Y N 0.787 120.998 120.300 -0.148 0.000 2.241 393 Y HA -0.266 4.284 4.550 0.001 0.000 0.286 393 Y C 2.433 178.258 175.900 -0.124 0.000 1.166 393 Y CA 1.409 59.416 58.100 -0.155 0.000 1.203 393 Y CB -1.576 36.763 38.460 -0.202 0.000 0.977 393 Y HN 0.176 nan 8.280 nan 0.000 0.529 394 H N 0.826 119.565 119.070 -0.552 0.000 2.289 394 H HA -0.169 4.387 4.556 0.001 0.000 0.296 394 H C 2.353 177.645 175.328 -0.061 0.000 1.091 394 H CA 2.257 58.140 56.048 -0.274 0.000 1.274 394 H CB -0.450 29.105 29.762 -0.345 0.000 1.364 394 H HN 0.464 nan 8.280 nan 0.000 0.490 395 I N 1.003 121.629 120.570 0.093 0.000 2.361 395 I HA -0.227 3.944 4.170 0.001 0.000 0.251 395 I C 1.902 178.147 176.117 0.212 0.000 1.133 395 I CA 1.047 62.459 61.300 0.186 0.000 1.413 395 I CB -0.192 37.910 38.000 0.170 0.000 1.073 395 I HN 0.086 nan 8.210 nan 0.000 0.424 396 D N 0.830 121.307 120.400 0.128 0.000 2.218 396 D HA -0.147 4.494 4.640 0.001 0.000 0.204 396 D C 2.268 178.634 176.300 0.110 0.000 0.976 396 D CA 1.001 55.076 54.000 0.125 0.000 0.853 396 D CB -0.184 40.668 40.800 0.086 0.000 0.939 396 D HN 0.348 nan 8.370 nan 0.000 0.481 397 R N -0.266 120.293 120.500 0.099 0.000 2.148 397 R HA 0.033 4.373 4.340 0.001 0.000 0.223 397 R C 2.099 178.419 176.300 0.033 0.000 1.088 397 R CA 1.136 57.277 56.100 0.068 0.000 0.985 397 R CB -0.009 30.335 30.300 0.072 0.000 0.880 397 R HN 0.143 nan 8.270 nan 0.000 0.451 398 G N -1.312 107.509 108.800 0.036 0.000 2.743 398 G HA2 0.050 4.011 3.960 0.001 0.000 0.206 398 G HA3 0.050 4.011 3.960 0.001 0.000 0.206 398 G C -0.152 174.531 174.900 -0.362 0.000 1.115 398 G CA -0.084 44.927 45.100 -0.148 0.000 0.782 398 G HN 0.081 nan 8.290 nan 0.000 0.524 399 Y N -0.037 120.295 120.300 0.054 0.000 2.425 399 Y HA 0.442 4.992 4.550 0.001 0.000 0.344 399 Y C -0.171 175.781 175.900 0.087 0.000 0.969 399 Y CA -1.178 56.963 58.100 0.068 0.000 1.052 399 Y CB 1.977 40.472 38.460 0.059 0.000 1.215 399 Y HN -0.038 nan 8.280 nan 0.000 0.451 400 E N 4.276 124.612 120.200 0.225 0.000 2.104 400 E HA 0.178 4.528 4.350 0.001 0.000 0.278 400 E C -0.471 176.241 176.600 0.186 0.000 1.127 400 E CA -0.242 56.258 56.400 0.167 0.000 0.897 400 E CB 0.116 29.886 29.700 0.117 0.000 1.043 400 E HN 0.646 nan 8.360 nan 0.000 0.410 401 R N 3.638 124.242 120.500 0.173 0.000 3.127 401 R HA -0.221 4.120 4.340 0.001 0.000 0.247 401 R C 0.962 177.358 176.300 0.160 0.000 0.896 401 R CA 0.380 56.573 56.100 0.156 0.000 0.624 401 R CB -1.766 28.599 30.300 0.108 0.000 1.154 401 R HN 0.761 nan 8.270 nan 0.000 0.474 402 I N 1.304 121.984 120.570 0.184 0.000 2.493 402 I HA -0.241 3.929 4.170 0.001 0.000 0.254 402 I C 2.552 178.680 176.117 0.019 0.000 1.160 402 I CA 1.730 63.110 61.300 0.134 0.000 1.445 402 I CB -0.009 37.996 38.000 0.008 0.000 1.086 402 I HN 0.474 nan 8.210 nan 0.000 0.433 403 E N 0.391 120.556 120.200 -0.058 0.000 2.150 403 E HA -0.256 4.095 4.350 0.001 0.000 0.193 403 E C 1.160 177.721 176.600 -0.065 0.000 0.985 403 E CA 1.321 57.609 56.400 -0.186 0.000 0.814 403 E CB -0.450 29.101 29.700 -0.247 0.000 0.752 403 E HN 0.482 nan 8.360 nan 0.000 0.466 404 D N 1.784 122.185 120.400 0.001 0.000 2.097 404 D HA -0.082 4.559 4.640 0.001 0.000 0.197 404 D C 1.908 178.195 176.300 -0.022 0.000 0.984 404 D CA 1.246 55.245 54.000 -0.002 0.000 0.826 404 D CB -0.119 40.692 40.800 0.018 0.000 0.973 404 D HN 0.289 nan 8.370 nan 0.000 0.460 405 K N 0.284 120.680 120.400 -0.008 0.000 2.097 405 K HA -0.006 4.315 4.320 0.001 0.000 0.205 405 K C 2.323 178.881 176.600 -0.070 0.000 1.050 405 K CA 0.472 56.707 56.287 -0.086 0.000 0.938 405 K CB -0.043 32.370 32.500 -0.144 0.000 0.718 405 K HN 0.146 nan 8.250 nan 0.000 0.442 406 L N 0.429 121.669 121.223 0.028 0.000 2.072 406 L HA -0.117 4.223 4.340 0.001 0.000 0.205 406 L C 2.707 179.557 176.870 -0.033 0.000 1.079 406 L CA 0.964 55.822 54.840 0.030 0.000 0.752 406 L CB -0.274 41.780 42.059 -0.008 0.000 0.906 406 L HN 0.135 nan 8.230 nan 0.000 0.436 407 R N 0.361 120.831 120.500 -0.051 0.000 2.096 407 R HA -0.149 4.192 4.340 0.001 0.000 0.235 407 R C 2.166 178.439 176.300 -0.045 0.000 1.127 407 R CA 1.385 57.455 56.100 -0.049 0.000 0.968 407 R CB -0.243 30.030 30.300 -0.045 0.000 0.861 407 R HN 0.331 nan 8.270 nan 0.000 0.440 408 A N -0.043 122.744 122.820 -0.054 0.000 2.216 408 A HA -0.021 4.300 4.320 0.001 0.000 0.214 408 A C 1.612 179.156 177.584 -0.066 0.000 1.160 408 A CA 0.809 52.809 52.037 -0.061 0.000 0.725 408 A CB -0.159 18.795 19.000 -0.076 0.000 0.784 408 A HN 0.348 nan 8.150 nan 0.000 0.472 409 L N -2.171 119.017 121.223 -0.059 0.000 2.693 409 L HA 0.319 4.659 4.340 0.001 0.000 0.235 409 L C 1.461 178.311 176.870 -0.034 0.000 1.127 409 L CA 0.562 55.373 54.840 -0.049 0.000 0.914 409 L CB 0.404 42.440 42.059 -0.038 0.000 1.193 409 L HN 0.497 nan 8.230 nan 0.000 0.502 410 G N 0.010 108.789 108.800 -0.034 0.000 2.184 410 G HA2 -0.185 3.775 3.960 0.001 0.000 0.206 410 G HA3 -0.185 3.775 3.960 0.001 0.000 0.206 410 G C 0.356 175.238 174.900 -0.030 0.000 0.995 410 G CA -0.178 44.904 45.100 -0.030 0.000 0.651 410 G HN 0.376 nan 8.290 nan 0.000 0.511 411 A N 0.154 122.953 122.820 -0.036 0.000 2.462 411 A HA 0.560 4.880 4.320 0.001 0.000 0.243 411 A C 0.524 178.080 177.584 -0.046 0.000 1.076 411 A CA 0.293 52.303 52.037 -0.045 0.000 0.773 411 A CB 0.342 19.305 19.000 -0.062 0.000 1.010 411 A HN 0.546 nan 8.150 nan 0.000 0.493 412 N N 2.054 120.729 118.700 -0.043 0.000 2.645 412 N HA 0.360 5.100 4.740 0.001 0.000 0.233 412 N C -1.275 174.208 175.510 -0.046 0.000 1.058 412 N CA 0.011 53.040 53.050 -0.035 0.000 0.942 412 N CB 0.182 38.655 38.487 -0.022 0.000 1.210 412 N HN 0.642 nan 8.380 nan 0.000 0.512 413 I N 1.061 121.595 120.570 -0.060 0.000 2.619 413 I HA 0.393 4.563 4.170 0.001 0.000 0.292 413 I C -1.255 174.837 176.117 -0.042 0.000 1.100 413 I CA -0.613 60.633 61.300 -0.090 0.000 1.043 413 I CB 2.045 39.917 38.000 -0.214 0.000 1.239 413 I HN 0.337 nan 8.210 nan 0.000 0.420 414 E N 6.802 127.018 120.200 0.027 0.000 2.314 414 E HA 0.359 4.709 4.350 0.001 0.000 0.272 414 E C -1.435 175.308 176.600 0.238 0.000 0.884 414 E CA -0.954 55.502 56.400 0.095 0.000 0.753 414 E CB 2.228 31.969 29.700 0.068 0.000 1.213 414 E HN 0.592 nan 8.360 nan 0.000 0.432 415 R N 3.805 124.455 120.500 0.250 0.000 2.198 415 R HA 0.324 4.664 4.340 0.001 0.000 0.339 415 R C -0.542 175.826 176.300 0.113 0.000 1.020 415 R CA -0.397 55.861 56.100 0.262 0.000 0.864 415 R CB 0.731 31.196 30.300 0.276 0.000 1.105 415 R HN 0.330 nan 8.270 nan 0.000 0.463 416 V N 2.039 121.996 119.914 0.073 0.000 2.975 416 V HA 0.533 4.654 4.120 0.001 0.000 0.318 416 V C -0.391 175.708 176.094 0.010 0.000 1.077 416 V CA -0.773 61.551 62.300 0.039 0.000 1.000 416 V CB 2.070 33.917 31.823 0.041 0.000 1.066 416 V HN 0.737 nan 8.190 nan 0.000 0.452 417 K N 3.242 123.647 120.400 0.009 0.000 3.109 417 K HA 0.355 4.675 4.320 0.001 0.000 0.214 417 K C 0.593 177.193 176.600 0.000 0.000 1.196 417 K CA 0.188 56.475 56.287 -0.001 0.000 1.115 417 K CB 0.535 33.035 32.500 0.000 0.000 1.103 417 K HN 0.973 nan 8.250 nan 0.000 0.467 418 G N 0.000 108.802 108.800 0.003 0.000 5.446 418 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 418 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 418 G CA 0.000 45.103 45.100 0.005 0.000 0.502 418 G HN 0.000 nan 8.290 nan 0.000 0.925