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 2wgf_1_E DATA FIRST_RESID 2 DATA SEQUENCE SQPSTANGGF PSVVVTAVTA TTSISPDIES TWKGLLAGES GIHALEDEFV DATA SEQUENCE TKWDLAVKIG GHLKDPVDSH MGRLDMRRMS YVQRMGKLLG GQLWESAGSP DATA SEQUENCE EVDPDRFAVV VGTGLGGAER IVESYDLMNA GGPRKVSPLA VQMIMPNGAA DATA SEQUENCE AVIGLQLGAR AGVMTPVSAQ SSGSEAIAHA WRQIVMGDAD VAVCGGVEGP DATA SEQUENCE IEALPIAAFS MMRAMSTRND EPERASRPFD KDRDGFVFGE AGALMLIETE DATA SEQUENCE EHAKARGAKP LARLLGAGIT SDAFHMVAPA ADGVRAGRAM TRSLELAGLS DATA SEQUENCE PADIDHVNAH GTATPIGDAA EANAIRVAGC DQAAVYAPKS ALGHSIGAVG DATA SEQUENCE ALESVLTVLT LRDGVIPPTL NYETPDPEID LDVVAGEPRY GDYRYAVNNS DATA SEQUENCE FGFGGHNVAL AFGRY 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.580 174.600 -0.034 0.000 1.055 2 S CA 0.000 58.187 58.200 -0.022 0.000 1.107 2 S CB 0.000 63.185 63.200 -0.025 0.000 0.593 3 Q N 4.342 124.127 119.800 -0.025 0.000 2.314 3 Q HA 0.320 4.660 4.340 0.000 0.000 0.258 3 Q C -2.197 173.757 176.000 -0.076 0.000 0.954 3 Q CA -1.595 54.191 55.803 -0.029 0.000 0.890 3 Q CB -0.026 28.718 28.738 0.011 0.000 1.210 3 Q HN 0.493 nan 8.270 nan 0.000 0.410 4 P HA -0.005 nan 4.420 nan 0.000 0.267 4 P C -0.551 176.543 177.300 -0.344 0.000 1.200 4 P CA 0.178 63.039 63.100 -0.397 0.000 0.772 4 P CB 0.761 32.032 31.700 -0.715 0.000 0.855 5 S N -0.145 115.382 115.700 -0.288 0.000 2.625 5 S HA 0.345 4.816 4.470 0.000 0.000 0.271 5 S C 0.894 175.619 174.600 0.208 0.000 1.161 5 S CA -0.489 57.780 58.200 0.115 0.000 0.820 5 S CB 1.004 64.269 63.200 0.110 0.000 1.137 5 S HN 0.303 nan 8.310 nan 0.000 0.470 6 T N 1.480 116.299 114.554 0.441 0.000 2.821 6 T HA 0.050 4.401 4.350 0.000 0.000 0.267 6 T C 2.098 176.906 174.700 0.180 0.000 1.046 6 T CA 1.617 63.933 62.100 0.359 0.000 1.139 6 T CB -0.797 68.287 68.868 0.361 0.000 0.871 6 T HN 0.902 nan 8.240 nan 0.000 0.454 7 A N 2.842 125.737 122.820 0.125 0.000 2.015 7 A HA -0.095 4.226 4.320 0.000 0.000 0.219 7 A C 2.026 179.639 177.584 0.048 0.000 1.163 7 A CA 1.531 53.612 52.037 0.073 0.000 0.646 7 A CB -0.401 18.620 19.000 0.035 0.000 0.806 7 A HN 0.619 nan 8.150 nan 0.000 0.448 8 N N -1.585 117.134 118.700 0.031 0.000 2.236 8 N HA 0.218 4.959 4.740 0.000 0.000 0.196 8 N C 0.951 176.451 175.510 -0.017 0.000 1.114 8 N CA 1.108 54.158 53.050 -0.001 0.000 0.859 8 N CB 0.037 38.511 38.487 -0.022 0.000 0.982 8 N HN 0.703 nan 8.380 nan 0.000 0.493 9 G N -0.585 108.216 108.800 0.002 0.000 2.176 9 G HA2 -0.282 3.679 3.960 0.000 0.000 0.253 9 G HA3 -0.282 3.679 3.960 0.000 0.000 0.253 9 G C 1.062 175.914 174.900 -0.079 0.000 0.979 9 G CA 0.398 45.494 45.100 -0.006 0.000 0.641 9 G HN 0.634 nan 8.290 nan 0.000 0.530 10 G N -0.251 108.435 108.800 -0.191 0.000 2.469 10 G HA2 0.182 4.143 3.960 0.000 0.000 0.219 10 G HA3 0.182 4.143 3.960 0.000 0.000 0.219 10 G C 0.594 175.177 174.900 -0.529 0.000 1.150 10 G CA 1.211 46.052 45.100 -0.431 0.000 0.763 10 G HN 0.568 nan 8.290 nan 0.000 0.561 11 F N 0.479 120.436 119.950 0.011 0.000 2.507 11 F HA 0.539 5.067 4.527 0.000 0.000 0.327 11 F C -2.175 173.623 175.800 -0.004 0.000 1.068 11 F CA -3.158 54.823 58.000 -0.032 0.000 0.965 11 F CB 1.518 40.499 39.000 -0.033 0.000 1.192 11 F HN -0.218 nan 8.300 nan 0.000 0.476 12 P HA 0.108 nan 4.420 nan 0.000 0.274 12 P C -0.539 176.848 177.300 0.144 0.000 1.231 12 P CA -0.525 62.638 63.100 0.104 0.000 0.790 12 P CB 0.907 32.636 31.700 0.049 0.000 0.951 13 S N 1.316 117.100 115.700 0.141 0.000 2.516 13 S HA 0.219 4.689 4.470 0.000 0.000 0.282 13 S C -0.335 174.359 174.600 0.157 0.000 1.286 13 S CA -0.359 57.943 58.200 0.170 0.000 1.066 13 S CB -0.515 62.780 63.200 0.158 0.000 0.884 13 S HN 0.179 nan 8.310 nan 0.000 0.491 14 V N 6.848 126.882 119.914 0.201 0.000 2.444 14 V HA 0.498 4.619 4.120 0.000 0.000 0.294 14 V C 0.124 176.316 176.094 0.163 0.000 1.022 14 V CA -0.691 61.717 62.300 0.180 0.000 0.850 14 V CB 1.370 33.350 31.823 0.261 0.000 0.992 14 V HN 0.850 nan 8.190 nan 0.000 0.426 15 V N 3.449 123.427 119.914 0.107 0.000 2.975 15 V HA 0.766 4.886 4.120 0.000 0.000 0.318 15 V C -0.291 175.835 176.094 0.053 0.000 1.077 15 V CA -0.792 61.550 62.300 0.069 0.000 1.000 15 V CB 2.029 33.838 31.823 -0.024 0.000 1.066 15 V HN 0.441 nan 8.190 nan 0.000 0.452 16 V N 2.914 122.854 119.914 0.043 0.000 2.350 16 V HA 0.378 4.499 4.120 0.000 0.000 0.276 16 V C 1.241 177.309 176.094 -0.043 0.000 1.028 16 V CA 0.545 62.866 62.300 0.035 0.000 0.860 16 V CB 0.700 32.571 31.823 0.080 0.000 0.990 16 V HN 1.176 nan 8.190 nan 0.000 0.453 17 T N 0.881 115.404 114.554 -0.053 0.000 3.015 17 T HA 0.579 4.930 4.350 0.000 0.000 0.250 17 T C 0.478 175.123 174.700 -0.093 0.000 1.057 17 T CA 0.516 62.560 62.100 -0.094 0.000 1.066 17 T CB 0.610 69.417 68.868 -0.103 0.000 0.959 17 T HN 0.956 nan 8.240 nan 0.000 0.488 18 A N 1.017 123.796 122.820 -0.069 0.000 2.589 18 A HA 0.708 5.028 4.320 0.000 0.000 0.296 18 A C -1.027 176.532 177.584 -0.041 0.000 1.062 18 A CA -0.705 51.293 52.037 -0.066 0.000 0.686 18 A CB 1.606 20.560 19.000 -0.077 0.000 1.282 18 A HN 0.912 nan 8.150 nan 0.000 0.404 19 V N -1.326 118.558 119.914 -0.050 0.000 2.823 19 V HA 0.988 5.109 4.120 0.000 0.000 0.312 19 V C -0.393 175.685 176.094 -0.028 0.000 1.072 19 V CA -0.300 61.974 62.300 -0.043 0.000 0.937 19 V CB 1.532 33.303 31.823 -0.087 0.000 1.013 19 V HN 1.352 nan 8.190 nan 0.000 0.430 20 T N 1.810 116.358 114.554 -0.010 0.000 2.933 20 T HA 0.873 5.224 4.350 0.000 0.000 0.305 20 T C -0.839 173.863 174.700 0.003 0.000 1.092 20 T CA 0.340 62.439 62.100 -0.001 0.000 1.008 20 T CB 1.494 70.371 68.868 0.015 0.000 1.102 20 T HN 2.080 nan 8.240 nan 0.000 0.469 21 A N 2.100 124.924 122.820 0.006 0.000 2.594 21 A HA 0.722 5.043 4.320 0.000 0.000 0.296 21 A C -0.652 176.944 177.584 0.021 0.000 1.061 21 A CA -0.650 51.397 52.037 0.016 0.000 0.689 21 A CB 1.901 20.913 19.000 0.021 0.000 1.280 21 A HN 0.759 nan 8.150 nan 0.000 0.406 22 T N 0.984 115.553 114.554 0.027 0.000 2.807 22 T HA 0.776 5.126 4.350 0.000 0.000 0.279 22 T C 0.085 174.823 174.700 0.063 0.000 0.993 22 T CA 0.530 62.652 62.100 0.037 0.000 0.970 22 T CB 0.821 69.701 68.868 0.020 0.000 0.950 22 T HN 1.802 nan 8.240 nan 0.000 0.441 23 T N 0.193 114.792 114.554 0.076 0.000 2.693 23 T HA 0.453 4.803 4.350 0.000 0.000 0.278 23 T C 1.388 176.151 174.700 0.106 0.000 0.994 23 T CA 0.040 62.194 62.100 0.090 0.000 1.033 23 T CB 0.840 69.760 68.868 0.087 0.000 1.342 23 T HN 0.490 nan 8.240 nan 0.000 0.538 24 S N -0.572 115.197 115.700 0.115 0.000 2.561 24 S HA 0.142 4.612 4.470 0.000 0.000 0.225 24 S C 1.614 176.285 174.600 0.119 0.000 0.977 24 S CA 0.122 58.405 58.200 0.137 0.000 0.926 24 S CB -0.785 62.501 63.200 0.143 0.000 0.769 24 S HN 0.602 nan 8.310 nan 0.000 0.533 25 I N 0.081 120.709 120.570 0.097 0.000 2.927 25 I HA 0.212 4.382 4.170 0.000 0.000 0.268 25 I C 0.913 177.074 176.117 0.074 0.000 1.153 25 I CA 0.294 61.643 61.300 0.082 0.000 1.459 25 I CB 0.569 38.615 38.000 0.076 0.000 1.149 25 I HN 0.316 nan 8.210 nan 0.000 0.443 26 S N -0.821 114.926 115.700 0.078 0.000 2.558 26 S HA 0.319 4.789 4.470 0.000 0.000 0.277 26 S C -2.430 172.212 174.600 0.068 0.000 1.143 26 S CA -0.781 57.462 58.200 0.071 0.000 0.865 26 S CB 1.630 64.871 63.200 0.068 0.000 1.102 26 S HN -0.243 nan 8.310 nan 0.000 0.454 27 P HA 0.189 nan 4.420 nan 0.000 0.241 27 P C -0.479 176.837 177.300 0.026 0.000 1.191 27 P CA 0.520 63.645 63.100 0.041 0.000 0.771 27 P CB -0.028 31.702 31.700 0.050 0.000 0.929 28 D N -0.424 120.001 120.400 0.042 0.000 2.278 28 D HA 0.133 4.773 4.640 0.000 0.000 0.245 28 D C 0.655 176.988 176.300 0.055 0.000 1.052 28 D CA -0.721 53.303 54.000 0.040 0.000 0.834 28 D CB 1.098 41.925 40.800 0.045 0.000 1.194 28 D HN -0.258 nan 8.370 nan 0.000 0.481 29 I N 3.104 123.701 120.570 0.045 0.000 2.500 29 I HA -0.053 4.117 4.170 0.000 0.000 0.252 29 I C 1.541 177.718 176.117 0.100 0.000 1.142 29 I CA 1.319 62.653 61.300 0.058 0.000 1.451 29 I CB -0.004 38.005 38.000 0.015 0.000 1.093 29 I HN 0.397 nan 8.210 nan 0.000 0.430 30 E N 0.271 120.522 120.200 0.084 0.000 2.152 30 E HA -0.081 4.270 4.350 0.000 0.000 0.192 30 E C 2.278 178.977 176.600 0.164 0.000 0.983 30 E CA 1.219 57.698 56.400 0.132 0.000 0.818 30 E CB -0.307 29.442 29.700 0.081 0.000 0.758 30 E HN 0.475 nan 8.360 nan 0.000 0.467 31 S N 0.635 116.401 115.700 0.111 0.000 2.387 31 S HA -0.081 4.389 4.470 0.000 0.000 0.226 31 S C 2.112 176.772 174.600 0.100 0.000 1.026 31 S CA 1.303 59.558 58.200 0.091 0.000 0.972 31 S CB -0.301 62.939 63.200 0.066 0.000 0.814 31 S HN 0.257 nan 8.310 nan 0.000 0.477 32 T N 1.513 116.140 114.554 0.122 0.000 2.652 32 T HA -0.165 4.186 4.350 0.000 0.000 0.267 32 T C 1.327 176.134 174.700 0.179 0.000 1.039 32 T CA 1.156 63.335 62.100 0.133 0.000 1.153 32 T CB -0.458 68.493 68.868 0.139 0.000 0.863 32 T HN 0.602 nan 8.240 nan 0.000 0.428 33 W N 2.217 123.518 121.300 0.003 0.000 2.305 33 W HA -0.248 4.413 4.660 0.001 0.000 0.308 33 W C 1.986 178.494 176.519 -0.017 0.000 1.226 33 W CA 1.489 58.826 57.345 -0.014 0.000 1.253 33 W CB -0.108 29.338 29.460 -0.024 0.000 1.146 33 W HN 0.307 nan 8.180 nan 0.000 0.507 34 K N -0.475 119.927 120.400 0.003 0.000 2.031 34 K HA -0.086 4.234 4.320 0.000 0.000 0.205 34 K C 2.384 178.914 176.600 -0.117 0.000 1.049 34 K CA 1.369 57.591 56.287 -0.109 0.000 0.939 34 K CB -1.004 31.496 32.500 -0.001 0.000 0.717 34 K HN 0.193 nan 8.250 nan 0.000 0.438 35 G N 1.857 110.631 108.800 -0.043 0.000 2.446 35 G HA2 -0.254 3.706 3.960 0.000 0.000 0.217 35 G HA3 -0.254 3.706 3.960 0.000 0.000 0.217 35 G C 1.511 176.369 174.900 -0.070 0.000 1.168 35 G CA 0.764 45.844 45.100 -0.033 0.000 0.771 35 G HN 0.079 nan 8.290 nan 0.000 0.551 36 L N -0.064 121.105 121.223 -0.090 0.000 2.013 36 L HA -0.095 4.246 4.340 0.000 0.000 0.212 36 L C 2.922 179.642 176.870 -0.251 0.000 1.073 36 L CA 0.873 55.638 54.840 -0.126 0.000 0.753 36 L CB -0.506 41.488 42.059 -0.108 0.000 0.890 36 L HN 0.196 nan 8.230 nan 0.000 0.432 37 L N -0.376 120.599 121.223 -0.414 0.000 2.265 37 L HA -0.162 4.179 4.340 0.000 0.000 0.215 37 L C 2.362 179.104 176.870 -0.214 0.000 1.117 37 L CA 0.813 55.404 54.840 -0.415 0.000 0.782 37 L CB -0.565 41.190 42.059 -0.507 0.000 0.914 37 L HN 0.247 nan 8.230 nan 0.000 0.441 38 A N -0.474 122.257 122.820 -0.148 0.000 2.307 38 A HA 0.367 4.687 4.320 0.000 0.000 0.218 38 A C 1.654 179.206 177.584 -0.053 0.000 1.228 38 A CA 0.536 52.526 52.037 -0.079 0.000 0.857 38 A CB -0.348 18.620 19.000 -0.054 0.000 0.897 38 A HN 0.462 nan 8.150 nan 0.000 0.495 39 G N -0.146 108.617 108.800 -0.062 0.000 2.176 39 G HA2 -0.246 3.715 3.960 0.000 0.000 0.252 39 G HA3 -0.246 3.715 3.960 0.000 0.000 0.252 39 G C -0.188 174.710 174.900 -0.004 0.000 1.024 39 G CA 0.414 45.499 45.100 -0.025 0.000 0.755 39 G HN 0.653 nan 8.290 nan 0.000 0.507 40 E N 0.182 120.379 120.200 -0.006 0.000 2.331 40 E HA 0.508 4.859 4.350 0.000 0.000 0.272 40 E C 0.169 176.786 176.600 0.029 0.000 1.036 40 E CA 0.086 56.493 56.400 0.012 0.000 0.864 40 E CB 1.320 31.027 29.700 0.011 0.000 1.035 40 E HN 0.181 nan 8.360 nan 0.000 0.408 41 S N 1.026 116.748 115.700 0.036 0.000 2.472 41 S HA 0.448 4.918 4.470 0.000 0.000 0.303 41 S C 0.679 175.315 174.600 0.059 0.000 1.099 41 S CA -0.518 57.708 58.200 0.043 0.000 1.077 41 S CB 1.347 64.568 63.200 0.036 0.000 1.031 41 S HN 0.623 nan 8.310 nan 0.000 0.487 42 G N 3.389 112.230 108.800 0.067 0.000 3.042 42 G HA2 0.171 4.131 3.960 0.000 0.000 0.212 42 G HA3 0.171 4.131 3.960 0.000 0.000 0.212 42 G C 0.306 175.277 174.900 0.118 0.000 1.166 42 G CA -0.066 45.094 45.100 0.101 0.000 0.767 42 G HN 0.641 nan 8.290 nan 0.000 0.546 43 I N 2.397 122.999 120.570 0.054 0.000 2.396 43 I HA 0.327 4.497 4.170 0.000 0.000 0.289 43 I C 0.391 176.516 176.117 0.013 0.000 1.056 43 I CA -0.903 60.382 61.300 -0.025 0.000 1.365 43 I CB -0.269 37.708 38.000 -0.039 0.000 1.407 43 I HN 0.386 nan 8.210 nan 0.000 0.509 44 H N 3.710 122.768 119.070 -0.021 0.000 2.949 44 H HA 0.884 5.440 4.556 0.000 0.000 0.310 44 H C -0.662 174.647 175.328 -0.033 0.000 1.405 44 H CA -1.194 54.842 56.048 -0.020 0.000 1.253 44 H CB 0.905 30.661 29.762 -0.011 0.000 1.932 44 H HN 0.581 nan 8.280 nan 0.000 0.602 45 A N 1.163 124.086 122.820 0.172 0.000 2.328 45 A HA 0.407 4.727 4.320 0.000 0.000 0.284 45 A C -0.199 177.479 177.584 0.157 0.000 1.160 45 A CA -0.769 51.319 52.037 0.084 0.000 0.818 45 A CB -0.227 18.814 19.000 0.068 0.000 1.087 45 A HN 0.599 nan 8.150 nan 0.000 0.504 46 L N 2.629 123.861 121.223 0.014 0.000 2.462 46 L HA 0.121 4.461 4.340 0.000 0.000 0.272 46 L C 0.916 177.797 176.870 0.018 0.000 1.166 46 L CA -0.078 54.768 54.840 0.009 0.000 0.880 46 L CB 0.526 42.551 42.059 -0.056 0.000 1.142 46 L HN 0.827 nan 8.230 nan 0.000 0.473 47 E N 1.155 121.387 120.200 0.052 0.000 2.389 47 E HA 0.031 4.382 4.350 0.000 0.000 0.199 47 E C -0.212 176.339 176.600 -0.083 0.000 0.978 47 E CA 0.056 56.457 56.400 0.001 0.000 0.912 47 E CB 0.272 29.991 29.700 0.032 0.000 0.907 47 E HN 0.723 nan 8.360 nan 0.000 0.494 48 D N 1.878 122.183 120.400 -0.158 0.000 2.533 48 D HA -0.057 4.584 4.640 0.000 0.000 0.236 48 D C 0.924 176.965 176.300 -0.433 0.000 1.137 48 D CA 0.325 54.112 54.000 -0.355 0.000 0.867 48 D CB 0.693 41.062 40.800 -0.719 0.000 1.170 48 D HN -0.173 nan 8.370 nan 0.000 0.474 49 E N 1.273 121.341 120.200 -0.221 0.000 2.347 49 E HA -0.086 4.264 4.350 0.000 0.000 0.196 49 E C 1.334 177.908 176.600 -0.043 0.000 1.008 49 E CA 0.338 56.674 56.400 -0.107 0.000 0.852 49 E CB -0.220 29.457 29.700 -0.039 0.000 0.783 49 E HN 0.701 nan 8.360 nan 0.000 0.505 50 F N -2.170 117.851 119.950 0.118 0.000 2.451 50 F HA -0.064 4.463 4.527 0.000 0.000 0.299 50 F C 1.619 177.591 175.800 0.287 0.000 1.101 50 F CA 0.226 58.363 58.000 0.228 0.000 1.436 50 F CB -0.491 38.776 39.000 0.444 0.000 1.074 50 F HN -0.171 nan 8.300 nan 0.000 0.553 51 V N 0.902 120.857 119.914 0.068 0.000 2.626 51 V HA -0.230 3.890 4.120 0.000 0.000 0.252 51 V C 2.114 178.292 176.094 0.139 0.000 1.067 51 V CA 2.320 64.715 62.300 0.157 0.000 1.081 51 V CB -0.872 30.936 31.823 -0.024 0.000 0.686 51 V HN 0.562 nan 8.190 nan 0.000 0.468 52 T N -1.288 113.306 114.554 0.067 0.000 2.983 52 T HA -0.048 4.303 4.350 0.000 0.000 0.250 52 T C 1.902 176.609 174.700 0.012 0.000 1.037 52 T CA 0.646 62.766 62.100 0.034 0.000 1.142 52 T CB 0.004 68.868 68.868 -0.007 0.000 0.876 52 T HN 0.324 nan 8.240 nan 0.000 0.455 53 K N -0.035 120.341 120.400 -0.040 0.000 2.103 53 K HA -0.109 4.212 4.320 0.000 0.000 0.207 53 K C 1.306 177.708 176.600 -0.330 0.000 1.048 53 K CA 1.343 57.481 56.287 -0.248 0.000 0.930 53 K CB -0.072 32.189 32.500 -0.399 0.000 0.716 53 K HN 0.470 nan 8.250 nan 0.000 0.444 54 W N 0.791 122.166 121.300 0.125 0.000 3.177 54 W HA 0.116 4.777 4.660 0.000 0.000 0.309 54 W C -0.233 176.337 176.519 0.085 0.000 1.224 54 W CA -0.517 56.890 57.345 0.103 0.000 1.718 54 W CB 0.491 30.024 29.460 0.121 0.000 1.078 54 W HN 0.103 nan 8.180 nan 0.000 0.618 55 D N 1.870 122.417 120.400 0.245 0.000 3.038 55 D HA -0.196 4.444 4.640 0.000 0.000 0.229 55 D C -0.354 176.060 176.300 0.190 0.000 1.182 55 D CA 0.689 54.790 54.000 0.168 0.000 0.852 55 D CB -0.865 40.003 40.800 0.113 0.000 0.932 55 D HN 0.134 nan 8.370 nan 0.000 0.406 56 L N 0.579 121.934 121.223 0.219 0.000 2.436 56 L HA 0.419 4.759 4.340 0.000 0.000 0.265 56 L C 2.049 178.987 176.870 0.112 0.000 1.168 56 L CA -0.080 54.870 54.840 0.183 0.000 0.815 56 L CB 0.752 42.950 42.059 0.231 0.000 1.109 56 L HN 0.269 nan 8.230 nan 0.000 0.462 57 A N 2.594 125.463 122.820 0.081 0.000 2.119 57 A HA 0.159 4.479 4.320 0.000 0.000 0.216 57 A C 0.612 178.213 177.584 0.027 0.000 1.152 57 A CA 0.395 52.460 52.037 0.046 0.000 0.708 57 A CB 0.005 19.024 19.000 0.031 0.000 0.805 57 A HN 0.380 nan 8.150 nan 0.000 0.460 58 V N 0.375 120.313 119.914 0.040 0.000 2.384 58 V HA 0.277 4.397 4.120 0.000 0.000 0.287 58 V C 0.068 176.193 176.094 0.051 0.000 1.020 58 V CA -0.410 61.899 62.300 0.016 0.000 0.850 58 V CB 1.352 33.168 31.823 -0.011 0.000 0.987 58 V HN 0.424 nan 8.190 nan 0.000 0.436 59 K N 5.208 125.619 120.400 0.019 0.000 2.506 59 K HA 0.463 4.784 4.320 0.000 0.000 0.204 59 K C -0.208 176.379 176.600 -0.022 0.000 1.045 59 K CA -0.007 56.292 56.287 0.019 0.000 1.074 59 K CB 0.560 33.071 32.500 0.018 0.000 0.842 59 K HN 0.762 nan 8.250 nan 0.000 0.514 60 I N -3.508 117.033 120.570 -0.049 0.000 2.828 60 I HA 0.870 5.040 4.170 0.000 0.000 0.302 60 I C -0.145 175.876 176.117 -0.159 0.000 1.101 60 I CA -1.033 60.198 61.300 -0.115 0.000 1.031 60 I CB 2.383 40.324 38.000 -0.099 0.000 1.231 60 I HN 0.022 nan 8.210 nan 0.000 0.427 61 G N 1.615 110.226 108.800 -0.315 0.000 2.313 61 G HA2 0.490 4.450 3.960 0.000 0.000 0.296 61 G HA3 0.490 4.450 3.960 0.000 0.000 0.296 61 G C -1.447 173.095 174.900 -0.597 0.000 1.356 61 G CA -0.302 44.616 45.100 -0.303 0.000 0.833 61 G HN 1.019 nan 8.290 nan 0.000 0.552 62 G N 0.070 108.686 108.800 -0.307 0.000 2.671 62 G HA2 0.564 4.524 3.960 0.000 0.000 0.318 62 G HA3 0.564 4.524 3.960 0.000 0.000 0.318 62 G C -0.546 174.378 174.900 0.041 0.000 1.250 62 G CA -0.483 44.526 45.100 -0.152 0.000 1.028 62 G HN 0.582 nan 8.290 nan 0.000 0.501 63 H N 1.794 121.064 119.070 0.334 0.000 2.629 63 H HA 0.152 4.709 4.556 0.000 0.000 0.357 63 H C 1.005 176.447 175.328 0.191 0.000 1.121 63 H CA -0.337 55.855 56.048 0.240 0.000 1.406 63 H CB 1.339 31.248 29.762 0.244 0.000 1.456 63 H HN 0.308 nan 8.280 nan 0.000 0.579 64 L N 2.303 123.693 121.223 0.279 0.000 2.559 64 L HA -0.128 4.212 4.340 0.000 0.000 0.282 64 L C 1.855 178.824 176.870 0.166 0.000 1.232 64 L CA 0.065 55.020 54.840 0.191 0.000 0.885 64 L CB 0.220 42.380 42.059 0.167 0.000 1.131 64 L HN 0.536 nan 8.230 nan 0.000 0.498 65 K N 1.588 122.066 120.400 0.129 0.000 2.160 65 K HA -0.175 4.145 4.320 0.000 0.000 0.206 65 K C 0.185 176.838 176.600 0.089 0.000 1.047 65 K CA 1.447 57.791 56.287 0.095 0.000 0.930 65 K CB 0.000 32.549 32.500 0.080 0.000 0.720 65 K HN 0.660 nan 8.250 nan 0.000 0.450 66 D N -0.414 120.052 120.400 0.109 0.000 2.476 66 D HA 0.262 4.903 4.640 0.000 0.000 0.251 66 D C -2.784 173.609 176.300 0.155 0.000 1.291 66 D CA -2.489 51.589 54.000 0.130 0.000 0.939 66 D CB 1.207 42.106 40.800 0.167 0.000 1.221 66 D HN -0.174 nan 8.370 nan 0.000 0.567 67 P HA -0.044 nan 4.420 nan 0.000 0.265 67 P C 1.174 178.586 177.300 0.188 0.000 1.187 67 P CA -0.376 62.811 63.100 0.144 0.000 0.766 67 P CB 0.988 32.748 31.700 0.100 0.000 0.820 68 V N 1.989 121.986 119.914 0.137 0.000 2.469 68 V HA -0.237 3.883 4.120 0.000 0.000 0.251 68 V C 1.462 177.625 176.094 0.114 0.000 1.064 68 V CA 2.063 64.402 62.300 0.066 0.000 1.066 68 V CB -0.859 30.877 31.823 -0.146 0.000 0.667 68 V HN 0.557 nan 8.190 nan 0.000 0.461 69 D N 0.107 120.560 120.400 0.089 0.000 2.269 69 D HA -0.075 4.565 4.640 0.000 0.000 0.208 69 D C 2.246 178.570 176.300 0.040 0.000 0.963 69 D CA 1.322 55.358 54.000 0.059 0.000 0.864 69 D CB -0.186 40.651 40.800 0.062 0.000 0.936 69 D HN 0.612 nan 8.370 nan 0.000 0.505 70 S N -0.718 114.998 115.700 0.027 0.000 2.595 70 S HA -0.098 4.373 4.470 0.000 0.000 0.235 70 S C 1.164 175.579 174.600 -0.309 0.000 0.974 70 S CA 0.561 58.681 58.200 -0.134 0.000 0.942 70 S CB -0.354 62.735 63.200 -0.186 0.000 0.766 70 S HN 0.433 nan 8.310 nan 0.000 0.536 71 H N -0.629 118.438 119.070 -0.004 0.000 3.058 71 H HA 0.382 4.938 4.556 0.000 0.000 0.266 71 H C -0.136 175.184 175.328 -0.013 0.000 1.135 71 H CA -0.249 55.795 56.048 -0.006 0.000 1.174 71 H CB 0.299 30.056 29.762 -0.008 0.000 1.581 71 H HN 0.384 nan 8.280 nan 0.000 0.553 72 M N 1.328 120.973 119.600 0.075 0.000 2.300 72 M HA 0.315 4.795 4.480 0.000 0.000 0.348 72 M C 0.961 177.271 176.300 0.016 0.000 1.151 72 M CA -0.552 54.768 55.300 0.034 0.000 1.046 72 M CB 1.549 34.155 32.600 0.011 0.000 1.647 72 M HN 0.089 nan 8.290 nan 0.000 0.451 73 G N 1.530 110.337 108.800 0.012 0.000 2.606 73 G HA2 0.215 4.176 3.960 0.000 0.000 0.252 73 G HA3 0.215 4.176 3.960 0.000 0.000 0.252 73 G C 0.718 175.622 174.900 0.006 0.000 1.206 73 G CA -0.348 44.756 45.100 0.007 0.000 0.861 73 G HN 0.916 nan 8.290 nan 0.000 0.561 74 R N 0.470 120.973 120.500 0.005 0.000 2.115 74 R HA 0.015 4.355 4.340 0.000 0.000 0.230 74 R C 2.200 178.504 176.300 0.007 0.000 1.111 74 R CA 0.656 56.760 56.100 0.007 0.000 0.976 74 R CB -0.221 30.082 30.300 0.006 0.000 0.870 74 R HN 0.542 nan 8.270 nan 0.000 0.445 75 L N 0.750 121.976 121.223 0.005 0.000 1.994 75 L HA -0.211 4.129 4.340 0.000 0.000 0.208 75 L C 1.259 178.131 176.870 0.003 0.000 1.071 75 L CA 1.987 56.829 54.840 0.004 0.000 0.745 75 L CB -0.606 41.454 42.059 0.002 0.000 0.892 75 L HN 0.281 nan 8.230 nan 0.000 0.431 76 D N -0.377 120.023 120.400 0.001 0.000 2.158 76 D HA -0.238 4.402 4.640 0.000 0.000 0.197 76 D C 2.312 178.612 176.300 0.001 0.000 0.995 76 D CA 1.054 55.052 54.000 -0.003 0.000 0.846 76 D CB -0.080 40.716 40.800 -0.007 0.000 0.941 76 D HN 0.243 nan 8.370 nan 0.000 0.456 77 M N -0.049 119.555 119.600 0.007 0.000 2.108 77 M HA -0.176 4.305 4.480 0.000 0.000 0.257 77 M C 2.097 178.410 176.300 0.020 0.000 1.071 77 M CA 1.473 56.783 55.300 0.016 0.000 1.093 77 M CB -0.721 31.890 32.600 0.019 0.000 1.345 77 M HN 0.046 nan 8.290 nan 0.000 0.403 78 R N -0.985 119.524 120.500 0.015 0.000 2.140 78 R HA 0.052 4.392 4.340 0.000 0.000 0.213 78 R C 2.147 178.456 176.300 0.013 0.000 1.059 78 R CA 0.596 56.705 56.100 0.016 0.000 1.000 78 R CB 0.177 30.485 30.300 0.013 0.000 0.910 78 R HN 0.347 nan 8.270 nan 0.000 0.455 79 R N -0.814 119.690 120.500 0.008 0.000 2.290 79 R HA 0.243 4.583 4.340 0.000 0.000 0.197 79 R C 0.340 176.642 176.300 0.002 0.000 0.913 79 R CA 0.335 56.438 56.100 0.004 0.000 1.040 79 R CB 0.522 30.822 30.300 -0.000 0.000 0.992 79 R HN 0.049 nan 8.270 nan 0.000 0.500 80 M N 0.135 119.737 119.600 0.003 0.000 2.598 80 M HA 0.263 4.743 4.480 0.000 0.000 0.317 80 M C 0.012 176.320 176.300 0.014 0.000 1.179 80 M CA -0.771 54.529 55.300 -0.001 0.000 0.936 80 M CB 2.232 34.822 32.600 -0.017 0.000 1.713 80 M HN -0.082 nan 8.290 nan 0.000 0.460 81 S N 0.208 115.921 115.700 0.021 0.000 2.652 81 S HA 0.186 4.657 4.470 0.000 0.000 0.270 81 S C 0.750 175.391 174.600 0.068 0.000 1.243 81 S CA -0.557 57.675 58.200 0.054 0.000 0.999 81 S CB 0.791 64.024 63.200 0.055 0.000 0.973 81 S HN 0.787 nan 8.310 nan 0.000 0.544 82 Y N 2.246 122.548 120.300 0.003 0.000 2.069 82 Y HA -0.268 4.282 4.550 0.000 0.000 0.278 82 Y C 2.235 178.137 175.900 0.004 0.000 1.175 82 Y CA 2.799 60.901 58.100 0.005 0.000 1.134 82 Y CB -0.808 37.653 38.460 0.002 0.000 0.965 82 Y HN 0.559 nan 8.280 nan 0.000 0.498 83 V N -1.459 118.564 119.914 0.182 0.000 2.626 83 V HA -0.241 3.879 4.120 0.000 0.000 0.252 83 V C 1.909 177.988 176.094 -0.026 0.000 1.067 83 V CA 1.967 64.323 62.300 0.094 0.000 1.081 83 V CB -0.926 30.976 31.823 0.132 0.000 0.686 83 V HN 0.534 nan 8.190 nan 0.000 0.468 84 Q N 0.292 120.075 119.800 -0.028 0.000 2.079 84 Q HA -0.102 4.238 4.340 0.000 0.000 0.200 84 Q C 2.579 178.530 176.000 -0.081 0.000 0.974 84 Q CA 1.854 57.631 55.803 -0.043 0.000 0.840 84 Q CB -0.161 28.563 28.738 -0.024 0.000 0.898 84 Q HN 0.644 nan 8.270 nan 0.000 0.430 85 R N 0.203 120.626 120.500 -0.128 0.000 2.081 85 R HA -0.136 4.204 4.340 0.000 0.000 0.235 85 R C 2.270 178.459 176.300 -0.186 0.000 1.131 85 R CA 1.476 57.482 56.100 -0.158 0.000 0.960 85 R CB -0.394 29.783 30.300 -0.205 0.000 0.856 85 R HN 0.340 nan 8.270 nan 0.000 0.436 86 M N 0.434 119.874 119.600 -0.267 0.000 2.117 86 M HA -0.087 4.393 4.480 0.000 0.000 0.262 86 M C 2.088 178.329 176.300 -0.097 0.000 1.065 86 M CA 2.070 57.250 55.300 -0.200 0.000 1.114 86 M CB -0.298 32.182 32.600 -0.199 0.000 1.361 86 M HN 0.233 nan 8.290 nan 0.000 0.408 87 G N 0.547 109.303 108.800 -0.073 0.000 2.421 87 G HA2 -0.268 3.692 3.960 0.000 0.000 0.216 87 G HA3 -0.268 3.692 3.960 0.000 0.000 0.216 87 G C 1.533 176.411 174.900 -0.037 0.000 1.171 87 G CA 1.188 46.264 45.100 -0.039 0.000 0.775 87 G HN 0.547 nan 8.290 nan 0.000 0.543 88 K N -0.250 120.121 120.400 -0.048 0.000 2.002 88 K HA -0.068 4.253 4.320 0.000 0.000 0.209 88 K C 2.433 179.014 176.600 -0.031 0.000 1.048 88 K CA 1.304 57.568 56.287 -0.039 0.000 0.930 88 K CB -0.328 32.148 32.500 -0.040 0.000 0.714 88 K HN 0.221 nan 8.250 nan 0.000 0.438 89 L N 1.841 123.035 121.223 -0.048 0.000 1.956 89 L HA -0.193 4.147 4.340 0.000 0.000 0.216 89 L C 2.149 178.994 176.870 -0.041 0.000 1.073 89 L CA 1.741 56.546 54.840 -0.058 0.000 0.762 89 L CB -0.633 41.363 42.059 -0.105 0.000 0.889 89 L HN 0.276 nan 8.230 nan 0.000 0.433 90 L N -0.841 120.359 121.223 -0.038 0.000 2.131 90 L HA -0.125 4.215 4.340 0.000 0.000 0.210 90 L C 2.463 179.351 176.870 0.030 0.000 1.092 90 L CA 1.086 55.920 54.840 -0.010 0.000 0.759 90 L CB -1.349 40.706 42.059 -0.006 0.000 0.903 90 L HN 0.530 nan 8.230 nan 0.000 0.435 91 G N -0.240 108.579 108.800 0.032 0.000 2.402 91 G HA2 -0.159 3.801 3.960 0.000 0.000 0.216 91 G HA3 -0.159 3.801 3.960 0.000 0.000 0.216 91 G C 1.577 176.544 174.900 0.111 0.000 1.162 91 G CA 0.678 45.820 45.100 0.069 0.000 0.777 91 G HN 0.467 nan 8.290 nan 0.000 0.539 92 G N -0.030 108.814 108.800 0.072 0.000 2.421 92 G HA2 -0.090 3.870 3.960 0.000 0.000 0.217 92 G HA3 -0.090 3.870 3.960 0.000 0.000 0.217 92 G C 1.768 176.741 174.900 0.121 0.000 1.143 92 G CA 0.888 46.049 45.100 0.103 0.000 0.784 92 G HN 0.491 nan 8.290 nan 0.000 0.541 93 Q N -0.649 119.194 119.800 0.071 0.000 2.050 93 Q HA -0.044 4.297 4.340 0.000 0.000 0.202 93 Q C 2.479 178.523 176.000 0.073 0.000 0.980 93 Q CA 1.174 57.008 55.803 0.051 0.000 0.840 93 Q CB -0.267 28.476 28.738 0.007 0.000 0.898 93 Q HN 0.430 nan 8.270 nan 0.000 0.424 94 L N 0.140 121.423 121.223 0.099 0.000 2.017 94 L HA -0.174 4.167 4.340 0.000 0.000 0.208 94 L C 1.965 178.920 176.870 0.142 0.000 1.073 94 L CA 1.752 56.656 54.840 0.106 0.000 0.745 94 L CB -0.635 41.503 42.059 0.132 0.000 0.894 94 L HN 0.404 nan 8.230 nan 0.000 0.432 95 W N 0.635 121.938 121.300 0.004 0.000 2.338 95 W HA -0.258 4.403 4.660 0.000 0.000 0.304 95 W C 2.368 178.881 176.519 -0.010 0.000 1.212 95 W CA 2.008 59.352 57.345 -0.002 0.000 1.264 95 W CB 0.027 29.498 29.460 0.018 0.000 1.142 95 W HN 0.431 nan 8.180 nan 0.000 0.512 96 E N -0.078 120.201 120.200 0.130 0.000 2.031 96 E HA -0.191 4.160 4.350 0.000 0.000 0.193 96 E C 2.233 178.805 176.600 -0.046 0.000 0.994 96 E CA 1.989 58.407 56.400 0.032 0.000 0.800 96 E CB -0.339 29.397 29.700 0.061 0.000 0.752 96 E HN -0.027 nan 8.360 nan 0.000 0.447 97 S N 0.415 116.098 115.700 -0.028 0.000 2.387 97 S HA -0.222 4.248 4.470 0.000 0.000 0.230 97 S C 1.926 176.461 174.600 -0.109 0.000 1.035 97 S CA 1.099 59.267 58.200 -0.053 0.000 1.014 97 S CB -0.252 62.928 63.200 -0.032 0.000 0.836 97 S HN 0.462 nan 8.310 nan 0.000 0.466 98 A N 0.206 122.921 122.820 -0.174 0.000 2.168 98 A HA 0.432 4.752 4.320 0.000 0.000 0.215 98 A C 1.675 179.072 177.584 -0.312 0.000 1.152 98 A CA 1.013 52.885 52.037 -0.275 0.000 0.716 98 A CB -0.692 18.053 19.000 -0.425 0.000 0.794 98 A HN 1.041 nan 8.150 nan 0.000 0.465 99 G N -1.689 106.951 108.800 -0.267 0.000 2.131 99 G HA2 -0.084 3.877 3.960 0.000 0.000 0.201 99 G HA3 -0.084 3.877 3.960 0.000 0.000 0.201 99 G C 0.367 175.109 174.900 -0.264 0.000 1.000 99 G CA 0.266 45.237 45.100 -0.214 0.000 0.680 99 G HN 1.287 nan 8.290 nan 0.000 0.514 100 S N -0.273 115.180 115.700 -0.411 0.000 3.484 100 S HA -0.136 4.334 4.470 0.000 0.000 0.384 100 S C -1.442 172.965 174.600 -0.321 0.000 0.932 100 S CA 0.967 58.930 58.200 -0.395 0.000 1.293 100 S CB -0.827 62.393 63.200 0.034 0.000 0.919 100 S HN 0.794 nan 8.310 nan 0.000 0.540 101 P HA 0.197 nan 4.420 nan 0.000 0.269 101 P C 0.066 177.369 177.300 0.005 0.000 1.209 101 P CA 0.072 62.963 63.100 -0.348 0.000 0.776 101 P CB 0.465 31.827 31.700 -0.562 0.000 0.876 102 E N 1.776 121.993 120.200 0.028 0.000 2.028 102 E HA 0.226 4.576 4.350 0.000 0.000 0.266 102 E C 0.004 176.660 176.600 0.093 0.000 0.962 102 E CA -0.389 56.075 56.400 0.107 0.000 0.784 102 E CB 0.745 30.481 29.700 0.060 0.000 1.114 102 E HN 0.240 nan 8.360 nan 0.000 0.414 103 V N -0.565 119.451 119.914 0.170 0.000 3.193 103 V HA 0.453 4.573 4.120 0.000 0.000 0.320 103 V C 0.277 176.482 176.094 0.184 0.000 1.112 103 V CA -1.094 61.311 62.300 0.175 0.000 1.026 103 V CB 1.976 33.906 31.823 0.178 0.000 1.128 103 V HN 0.260 nan 8.190 nan 0.000 0.452 104 D N 2.378 122.896 120.400 0.198 0.000 2.336 104 D HA 0.320 4.960 4.640 0.000 0.000 0.249 104 D C -1.474 174.956 176.300 0.217 0.000 1.213 104 D CA -2.002 52.100 54.000 0.170 0.000 0.870 104 D CB 1.820 42.706 40.800 0.144 0.000 1.076 104 D HN 0.445 nan 8.370 nan 0.000 0.483 105 P HA -0.103 nan 4.420 nan 0.000 0.220 105 P C 0.396 177.775 177.300 0.131 0.000 1.148 105 P CA 0.733 63.957 63.100 0.205 0.000 0.803 105 P CB 0.496 32.265 31.700 0.114 0.000 0.782 106 D N -0.624 119.836 120.400 0.099 0.000 2.363 106 D HA -0.035 4.605 4.640 0.000 0.000 0.220 106 D C 1.368 177.714 176.300 0.076 0.000 0.994 106 D CA 0.604 54.641 54.000 0.062 0.000 0.890 106 D CB -0.032 40.796 40.800 0.047 0.000 0.906 106 D HN 0.117 nan 8.370 nan 0.000 0.530 107 R N -0.017 120.559 120.500 0.127 0.000 2.577 107 R HA 0.160 4.501 4.340 0.000 0.000 0.344 107 R C -0.400 176.015 176.300 0.191 0.000 1.037 107 R CA -0.462 55.713 56.100 0.125 0.000 1.102 107 R CB 0.118 30.492 30.300 0.124 0.000 1.313 107 R HN 0.028 nan 8.270 nan 0.000 0.561 108 F N 1.062 121.022 119.950 0.018 0.000 2.477 108 F HA 0.729 5.256 4.527 0.000 0.000 0.335 108 F C -1.062 174.740 175.800 0.002 0.000 1.130 108 F CA -2.277 55.735 58.000 0.020 0.000 0.948 108 F CB 1.273 40.310 39.000 0.062 0.000 1.154 108 F HN 0.002 nan 8.300 nan 0.000 0.439 109 A N 4.625 127.517 122.820 0.120 0.000 2.386 109 A HA 0.909 5.229 4.320 0.000 0.000 0.308 109 A C -1.752 175.745 177.584 -0.146 0.000 1.128 109 A CA -0.738 51.230 52.037 -0.116 0.000 0.789 109 A CB 1.833 20.832 19.000 -0.002 0.000 1.325 109 A HN 0.624 nan 8.150 nan 0.000 0.437 110 V N 0.822 120.641 119.914 -0.158 0.000 2.569 110 V HA 0.483 4.604 4.120 0.000 0.000 0.301 110 V C -1.077 174.995 176.094 -0.036 0.000 1.044 110 V CA -0.402 61.846 62.300 -0.087 0.000 0.874 110 V CB 1.649 33.366 31.823 -0.177 0.000 1.002 110 V HN 0.695 nan 8.190 nan 0.000 0.424 111 V N 5.564 125.490 119.914 0.019 0.000 2.398 111 V HA 0.563 4.683 4.120 0.000 0.000 0.282 111 V C -0.516 175.601 176.094 0.039 0.000 1.014 111 V CA -0.515 61.802 62.300 0.027 0.000 0.838 111 V CB 1.723 33.584 31.823 0.064 0.000 1.018 111 V HN 0.575 nan 8.190 nan 0.000 0.432 112 V N 3.388 123.313 119.914 0.018 0.000 2.588 112 V HA 0.834 4.954 4.120 0.000 0.000 0.304 112 V C 0.663 176.766 176.094 0.016 0.000 1.042 112 V CA -0.311 62.003 62.300 0.023 0.000 0.877 112 V CB 2.068 33.900 31.823 0.015 0.000 0.996 112 V HN 0.858 nan 8.190 nan 0.000 0.425 113 G N 2.618 111.432 108.800 0.024 0.000 2.434 113 G HA2 0.786 4.746 3.960 0.000 0.000 0.330 113 G HA3 0.786 4.746 3.960 0.000 0.000 0.330 113 G C -0.457 174.452 174.900 0.015 0.000 1.155 113 G CA -0.272 44.837 45.100 0.015 0.000 0.917 113 G HN 0.703 nan 8.290 nan 0.000 0.493 114 T N -1.012 113.547 114.554 0.007 0.000 2.696 114 T HA 0.579 4.929 4.350 0.000 0.000 0.291 114 T C 1.088 175.789 174.700 0.002 0.000 1.095 114 T CA 0.136 62.243 62.100 0.012 0.000 1.026 114 T CB 1.499 70.378 68.868 0.018 0.000 1.390 114 T HN 0.656 nan 8.240 nan 0.000 0.513 115 G N -0.914 107.890 108.800 0.007 0.000 2.576 115 G HA2 0.347 4.308 3.960 0.000 0.000 0.210 115 G HA3 0.347 4.308 3.960 0.000 0.000 0.210 115 G C 0.816 175.721 174.900 0.009 0.000 1.143 115 G CA 0.165 45.268 45.100 0.004 0.000 0.819 115 G HN 0.510 nan 8.290 nan 0.000 0.534 116 L N -2.223 119.007 121.223 0.011 0.000 2.437 116 L HA 0.503 4.844 4.340 0.000 0.000 0.188 116 L C 1.081 177.954 176.870 0.006 0.000 1.123 116 L CA 0.911 55.755 54.840 0.007 0.000 0.981 116 L CB 0.816 42.879 42.059 0.007 0.000 1.935 116 L HN 0.469 nan 8.230 nan 0.000 0.494 117 G N -0.528 108.281 108.800 0.015 0.000 2.306 117 G HA2 -0.093 3.867 3.960 0.000 0.000 0.262 117 G HA3 -0.093 3.867 3.960 0.000 0.000 0.262 117 G C 0.057 174.974 174.900 0.028 0.000 1.263 117 G CA -0.405 44.707 45.100 0.019 0.000 1.088 117 G HN 0.398 nan 8.290 nan 0.000 0.489 118 G N 0.418 109.234 108.800 0.027 0.000 3.316 118 G HA2 0.596 4.557 3.960 0.000 0.000 0.255 118 G HA3 0.596 4.557 3.960 0.000 0.000 0.255 118 G C 1.161 176.073 174.900 0.020 0.000 0.880 118 G CA 1.328 46.449 45.100 0.035 0.000 1.956 118 G HN 1.776 nan 8.290 nan 0.000 0.634 119 A N 1.040 123.865 122.820 0.008 0.000 2.066 119 A HA 0.047 4.368 4.320 0.000 0.000 0.218 119 A C 2.102 179.681 177.584 -0.008 0.000 1.157 119 A CA 1.439 53.471 52.037 -0.009 0.000 0.670 119 A CB 0.020 19.006 19.000 -0.024 0.000 0.804 119 A HN 0.493 nan 8.150 nan 0.000 0.453 120 E N 0.230 120.431 120.200 0.001 0.000 2.153 120 E HA -0.161 4.189 4.350 0.000 0.000 0.194 120 E C 1.903 178.517 176.600 0.024 0.000 0.988 120 E CA 1.047 57.451 56.400 0.007 0.000 0.811 120 E CB -0.212 29.499 29.700 0.017 0.000 0.746 120 E HN 0.370 nan 8.360 nan 0.000 0.466 121 R N 0.335 120.852 120.500 0.028 0.000 2.153 121 R HA 0.123 4.463 4.340 0.000 0.000 0.218 121 R C 2.289 178.611 176.300 0.036 0.000 1.072 121 R CA 0.601 56.721 56.100 0.033 0.000 0.990 121 R CB -0.444 29.874 30.300 0.030 0.000 0.889 121 R HN 0.318 nan 8.270 nan 0.000 0.452 122 I N 0.917 121.503 120.570 0.026 0.000 2.142 122 I HA -0.256 3.915 4.170 0.000 0.000 0.240 122 I C 2.428 178.580 176.117 0.059 0.000 1.078 122 I CA 1.562 62.879 61.300 0.028 0.000 1.343 122 I CB -0.479 37.517 38.000 -0.007 0.000 1.046 122 I HN -0.041 nan 8.210 nan 0.000 0.405 123 V N -1.571 118.366 119.914 0.039 0.000 2.515 123 V HA -0.212 3.908 4.120 0.000 0.000 0.250 123 V C 2.200 178.370 176.094 0.127 0.000 1.058 123 V CA 1.778 64.124 62.300 0.078 0.000 1.064 123 V CB -0.740 31.097 31.823 0.023 0.000 0.675 123 V HN 0.481 nan 8.190 nan 0.000 0.461 124 E N 0.894 121.143 120.200 0.081 0.000 2.047 124 E HA -0.170 4.181 4.350 0.000 0.000 0.191 124 E C 2.330 178.973 176.600 0.073 0.000 0.987 124 E CA 1.564 58.006 56.400 0.070 0.000 0.799 124 E CB -0.130 29.600 29.700 0.050 0.000 0.752 124 E HN 0.691 nan 8.360 nan 0.000 0.449 125 S N -0.121 115.626 115.700 0.077 0.000 2.370 125 S HA -0.194 4.276 4.470 0.000 0.000 0.226 125 S C 1.605 176.262 174.600 0.096 0.000 1.033 125 S CA 1.287 59.530 58.200 0.071 0.000 1.011 125 S CB -0.486 62.754 63.200 0.067 0.000 0.852 125 S HN 0.436 nan 8.310 nan 0.000 0.457 126 Y N 2.352 122.654 120.300 0.003 0.000 2.145 126 Y HA -0.212 4.339 4.550 0.000 0.000 0.286 126 Y C 2.044 177.947 175.900 0.005 0.000 1.145 126 Y CA 1.772 59.874 58.100 0.002 0.000 1.148 126 Y CB -0.214 38.245 38.460 -0.000 0.000 0.981 126 Y HN 0.170 nan 8.280 nan 0.000 0.507 127 D N 0.235 120.661 120.400 0.042 0.000 2.144 127 D HA -0.176 4.464 4.640 0.000 0.000 0.199 127 D C 2.234 178.493 176.300 -0.068 0.000 0.984 127 D CA 1.334 55.311 54.000 -0.038 0.000 0.834 127 D CB -0.278 40.550 40.800 0.047 0.000 0.955 127 D HN 0.409 nan 8.370 nan 0.000 0.465 128 L N 0.102 121.307 121.223 -0.031 0.000 1.988 128 L HA -0.111 4.229 4.340 0.000 0.000 0.207 128 L C 2.618 179.456 176.870 -0.053 0.000 1.071 128 L CA 0.868 55.691 54.840 -0.027 0.000 0.744 128 L CB -0.287 41.770 42.059 -0.003 0.000 0.893 128 L HN 0.018 nan 8.230 nan 0.000 0.433 129 M N -0.152 119.409 119.600 -0.064 0.000 2.108 129 M HA -0.231 4.250 4.480 0.000 0.000 0.261 129 M C 1.871 178.102 176.300 -0.115 0.000 1.066 129 M CA 1.777 57.032 55.300 -0.074 0.000 1.107 129 M CB -0.184 32.381 32.600 -0.058 0.000 1.356 129 M HN 0.253 nan 8.290 nan 0.000 0.406 130 N N 0.639 119.219 118.700 -0.200 0.000 2.289 130 N HA -0.083 4.657 4.740 0.000 0.000 0.184 130 N C 1.422 176.858 175.510 -0.122 0.000 1.016 130 N CA 1.649 54.570 53.050 -0.214 0.000 0.872 130 N CB -0.339 37.931 38.487 -0.361 0.000 0.973 130 N HN 0.499 nan 8.380 nan 0.000 0.433 131 A N -1.079 121.684 122.820 -0.094 0.000 2.063 131 A HA 0.418 4.739 4.320 0.000 0.000 0.211 131 A C 1.931 179.491 177.584 -0.040 0.000 1.177 131 A CA 1.107 53.111 52.037 -0.056 0.000 0.759 131 A CB 0.020 18.995 19.000 -0.042 0.000 0.857 131 A HN 0.333 nan 8.150 nan 0.000 0.468 132 G N -2.149 106.628 108.800 -0.040 0.000 2.663 132 G HA2 0.495 4.455 3.960 0.000 0.000 0.200 132 G HA3 0.495 4.455 3.960 0.000 0.000 0.200 132 G C 0.651 175.535 174.900 -0.026 0.000 1.114 132 G CA 0.614 45.698 45.100 -0.027 0.000 0.861 132 G HN 1.661 nan 8.290 nan 0.000 0.702 133 G N -0.050 108.730 108.800 -0.034 0.000 2.408 133 G HA2 0.117 4.078 3.960 0.000 0.000 0.682 133 G HA3 0.117 4.078 3.960 0.000 0.000 0.682 133 G C -1.994 172.892 174.900 -0.023 0.000 1.303 133 G CA -0.053 45.030 45.100 -0.028 0.000 0.966 133 G HN -0.001 nan 8.290 nan 0.000 0.560 134 P HA -0.102 nan 4.420 nan 0.000 0.218 134 P C 1.584 178.881 177.300 -0.005 0.000 1.149 134 P CA 1.149 64.244 63.100 -0.008 0.000 0.817 134 P CB 0.134 31.831 31.700 -0.005 0.000 0.785 135 R N 0.583 121.079 120.500 -0.006 0.000 2.148 135 R HA -0.032 4.308 4.340 0.000 0.000 0.227 135 R C 1.815 178.113 176.300 -0.004 0.000 1.103 135 R CA 1.141 57.239 56.100 -0.004 0.000 0.983 135 R CB -0.640 29.657 30.300 -0.005 0.000 0.874 135 R HN -0.111 nan 8.270 nan 0.000 0.451 136 K N 0.215 120.611 120.400 -0.006 0.000 2.589 136 K HA 0.137 4.457 4.320 0.000 0.000 0.204 136 K C -0.661 175.939 176.600 -0.001 0.000 1.029 136 K CA 0.065 56.350 56.287 -0.004 0.000 1.177 136 K CB 0.214 32.709 32.500 -0.009 0.000 0.902 136 K HN -0.000 nan 8.250 nan 0.000 0.501 137 V N 0.812 120.727 119.914 0.002 0.000 2.472 137 V HA 0.129 4.250 4.120 0.000 0.000 0.290 137 V C 0.503 176.602 176.094 0.008 0.000 1.037 137 V CA -0.751 61.553 62.300 0.007 0.000 0.908 137 V CB 1.800 33.629 31.823 0.010 0.000 0.985 137 V HN 0.115 nan 8.190 nan 0.000 0.454 138 S N 5.226 120.933 115.700 0.011 0.000 2.533 138 S HA 0.191 4.662 4.470 0.000 0.000 0.282 138 S C -1.413 173.191 174.600 0.007 0.000 1.304 138 S CA -0.873 57.333 58.200 0.009 0.000 1.063 138 S CB 0.907 64.114 63.200 0.012 0.000 0.881 138 S HN 0.636 nan 8.310 nan 0.000 0.493 139 P HA 0.031 nan 4.420 nan 0.000 0.231 139 P C 0.315 177.616 177.300 0.002 0.000 1.158 139 P CA 0.899 64.000 63.100 0.003 0.000 0.763 139 P CB 0.065 31.766 31.700 0.001 0.000 0.805 140 L N -2.500 118.725 121.223 0.004 0.000 2.769 140 L HA 0.328 4.669 4.340 0.000 0.000 0.240 140 L C 1.985 178.859 176.870 0.006 0.000 1.163 140 L CA -0.085 54.757 54.840 0.003 0.000 0.962 140 L CB -0.415 41.645 42.059 0.002 0.000 1.258 140 L HN -0.102 nan 8.230 nan 0.000 0.513 141 A N 0.916 123.741 122.820 0.008 0.000 1.877 141 A HA -0.193 4.127 4.320 0.000 0.000 0.216 141 A C 2.368 179.958 177.584 0.010 0.000 1.186 141 A CA 2.193 54.237 52.037 0.012 0.000 0.620 141 A CB -0.704 18.306 19.000 0.016 0.000 0.822 141 A HN 0.274 nan 8.150 nan 0.000 0.443 142 V N 0.077 119.995 119.914 0.006 0.000 2.427 142 V HA -0.295 3.826 4.120 0.000 0.000 0.248 142 V C 2.202 178.296 176.094 0.000 0.000 1.051 142 V CA 2.400 64.702 62.300 0.004 0.000 1.048 142 V CB -1.229 30.594 31.823 0.001 0.000 0.666 142 V HN 0.801 nan 8.190 nan 0.000 0.456 143 Q N -0.497 119.302 119.800 -0.002 0.000 2.436 143 Q HA 0.038 4.378 4.340 0.000 0.000 0.209 143 Q C 1.949 177.947 176.000 -0.003 0.000 0.965 143 Q CA 1.544 57.344 55.803 -0.006 0.000 0.910 143 Q CB -0.304 28.429 28.738 -0.009 0.000 0.980 143 Q HN 0.628 nan 8.270 nan 0.000 0.491 144 M N -0.299 119.303 119.600 0.003 0.000 2.516 144 M HA 0.158 4.638 4.480 0.000 0.000 0.259 144 M C 1.629 177.937 176.300 0.012 0.000 1.146 144 M CA 0.599 55.904 55.300 0.009 0.000 1.122 144 M CB 0.362 32.970 32.600 0.014 0.000 1.341 144 M HN 0.194 nan 8.290 nan 0.000 0.478 145 I N 0.580 121.156 120.570 0.010 0.000 2.429 145 I HA -0.035 4.135 4.170 0.000 0.000 0.247 145 I C 1.193 177.312 176.117 0.004 0.000 1.099 145 I CA 0.018 61.323 61.300 0.009 0.000 1.422 145 I CB 0.025 38.031 38.000 0.009 0.000 1.112 145 I HN 0.289 nan 8.210 nan 0.000 0.430 146 M N 1.965 121.565 119.600 -0.000 0.000 2.286 146 M HA 0.042 4.522 4.480 0.000 0.000 0.365 146 M C -1.990 174.307 176.300 -0.006 0.000 1.443 146 M CA -0.750 54.547 55.300 -0.005 0.000 0.951 146 M CB -0.501 32.094 32.600 -0.009 0.000 1.961 146 M HN -0.209 nan 8.290 nan 0.000 0.468 147 P HA -0.127 nan 4.420 nan 0.000 0.225 147 P C 0.465 177.758 177.300 -0.011 0.000 1.148 147 P CA 1.233 64.329 63.100 -0.006 0.000 0.779 147 P CB -0.208 31.487 31.700 -0.009 0.000 0.780 148 N N -0.910 117.779 118.700 -0.017 0.000 2.461 148 N HA 0.007 4.748 4.740 0.000 0.000 0.188 148 N C 1.678 177.173 175.510 -0.024 0.000 1.134 148 N CA 0.736 53.772 53.050 -0.024 0.000 0.878 148 N CB -1.151 37.318 38.487 -0.030 0.000 0.972 148 N HN 0.070 nan 8.380 nan 0.000 0.456 149 G N 1.042 109.832 108.800 -0.017 0.000 2.418 149 G HA2 -0.172 3.788 3.960 0.000 0.000 0.217 149 G HA3 -0.172 3.788 3.960 0.000 0.000 0.217 149 G C 1.639 176.527 174.900 -0.021 0.000 1.158 149 G CA 1.156 46.246 45.100 -0.017 0.000 0.771 149 G HN 0.510 nan 8.290 nan 0.000 0.545 150 A N 1.051 123.862 122.820 -0.015 0.000 1.898 150 A HA 0.338 4.658 4.320 0.000 0.000 0.216 150 A C 2.799 180.367 177.584 -0.027 0.000 1.181 150 A CA 2.126 54.152 52.037 -0.018 0.000 0.620 150 A CB -0.716 18.280 19.000 -0.006 0.000 0.819 150 A HN 0.745 nan 8.150 nan 0.000 0.442 151 A N -0.093 122.711 122.820 -0.027 0.000 1.898 151 A HA 0.189 4.509 4.320 0.000 0.000 0.216 151 A C 2.498 180.047 177.584 -0.059 0.000 1.181 151 A CA 2.006 54.020 52.037 -0.038 0.000 0.620 151 A CB -0.981 17.997 19.000 -0.036 0.000 0.819 151 A HN 0.997 nan 8.150 nan 0.000 0.442 152 A N -0.588 122.199 122.820 -0.055 0.000 1.877 152 A HA 0.005 4.325 4.320 0.000 0.000 0.216 152 A C 2.235 179.778 177.584 -0.069 0.000 1.186 152 A CA 1.717 53.715 52.037 -0.064 0.000 0.620 152 A CB -1.014 17.956 19.000 -0.051 0.000 0.822 152 A HN 0.368 nan 8.150 nan 0.000 0.443 153 V N 0.460 120.341 119.914 -0.055 0.000 2.282 153 V HA -0.310 3.810 4.120 0.000 0.000 0.249 153 V C 2.432 178.484 176.094 -0.069 0.000 1.057 153 V CA 2.277 64.543 62.300 -0.055 0.000 1.032 153 V CB -0.668 31.129 31.823 -0.043 0.000 0.645 153 V HN 0.600 nan 8.190 nan 0.000 0.447 154 I N 0.403 120.933 120.570 -0.068 0.000 2.361 154 I HA -0.155 4.015 4.170 0.000 0.000 0.251 154 I C 2.455 178.493 176.117 -0.131 0.000 1.133 154 I CA 1.554 62.807 61.300 -0.078 0.000 1.413 154 I CB -0.814 37.158 38.000 -0.048 0.000 1.073 154 I HN 0.416 nan 8.210 nan 0.000 0.424 155 G N 0.783 109.494 108.800 -0.148 0.000 2.408 155 G HA2 -0.167 3.793 3.960 0.000 0.000 0.215 155 G HA3 -0.167 3.793 3.960 0.000 0.000 0.215 155 G C 1.587 176.365 174.900 -0.203 0.000 1.156 155 G CA 0.149 45.117 45.100 -0.220 0.000 0.793 155 G HN 0.202 nan 8.290 nan 0.000 0.535 156 L N 0.494 121.633 121.223 -0.140 0.000 2.072 156 L HA 0.069 4.409 4.340 0.000 0.000 0.205 156 L C 2.706 179.505 176.870 -0.118 0.000 1.079 156 L CA 2.203 56.974 54.840 -0.114 0.000 0.752 156 L CB -0.651 41.359 42.059 -0.082 0.000 0.906 156 L HN 0.390 nan 8.230 nan 0.000 0.436 157 Q N -1.064 118.665 119.800 -0.119 0.000 2.172 157 Q HA -0.138 4.202 4.340 0.000 0.000 0.200 157 Q C 1.943 177.833 176.000 -0.183 0.000 0.964 157 Q CA 1.457 57.188 55.803 -0.120 0.000 0.855 157 Q CB 0.046 28.727 28.738 -0.095 0.000 0.918 157 Q HN 0.590 nan 8.270 nan 0.000 0.444 158 L N -1.730 119.353 121.223 -0.234 0.000 2.408 158 L HA 0.252 4.592 4.340 0.000 0.000 0.215 158 L C 1.296 178.011 176.870 -0.257 0.000 1.081 158 L CA 0.728 55.345 54.840 -0.371 0.000 0.840 158 L CB 0.469 42.334 42.059 -0.322 0.000 1.002 158 L HN 0.529 nan 8.230 nan 0.000 0.468 159 G N 0.031 108.701 108.800 -0.217 0.000 2.175 159 G HA2 -0.185 3.775 3.960 0.000 0.000 0.182 159 G HA3 -0.185 3.775 3.960 0.000 0.000 0.182 159 G C 0.361 175.135 174.900 -0.211 0.000 1.003 159 G CA -0.162 44.859 45.100 -0.132 0.000 0.666 159 G HN 0.382 nan 8.290 nan 0.000 0.506 160 A N 0.431 122.900 122.820 -0.585 0.000 2.484 160 A HA 0.635 4.956 4.320 0.000 0.000 0.268 160 A C 1.217 178.587 177.584 -0.356 0.000 1.114 160 A CA 0.698 52.247 52.037 -0.813 0.000 0.780 160 A CB 0.028 18.246 19.000 -1.303 0.000 1.061 160 A HN 0.479 nan 8.150 nan 0.000 0.505 161 R N 2.502 122.883 120.500 -0.198 0.000 2.437 161 R HA 0.186 4.526 4.340 0.000 0.000 0.257 161 R C 1.002 177.254 176.300 -0.079 0.000 0.927 161 R CA 0.659 56.693 56.100 -0.110 0.000 1.078 161 R CB 0.658 30.926 30.300 -0.053 0.000 1.161 161 R HN 0.701 nan 8.270 nan 0.000 0.529 162 A N 1.298 124.067 122.820 -0.086 0.000 2.532 162 A HA 0.457 4.777 4.320 0.000 0.000 0.273 162 A C 0.367 177.916 177.584 -0.058 0.000 1.342 162 A CA 0.241 52.252 52.037 -0.044 0.000 0.929 162 A CB 0.054 19.055 19.000 0.001 0.000 1.051 162 A HN 0.295 nan 8.150 nan 0.000 0.521 163 G N -1.372 107.378 108.800 -0.084 0.000 3.055 163 G HA2 0.180 4.140 3.960 0.000 0.000 0.685 163 G HA3 0.180 4.140 3.960 0.000 0.000 0.685 163 G C -1.053 173.786 174.900 -0.102 0.000 1.212 163 G CA -0.420 44.635 45.100 -0.076 0.000 0.822 163 G HN 0.796 nan 8.290 nan 0.000 0.610 164 V N 4.077 123.935 119.914 -0.093 0.000 2.349 164 V HA 0.728 4.848 4.120 0.000 0.000 0.284 164 V C 0.446 176.498 176.094 -0.071 0.000 1.014 164 V CA -0.310 61.932 62.300 -0.097 0.000 0.826 164 V CB 1.477 33.233 31.823 -0.110 0.000 1.009 164 V HN 0.790 nan 8.190 nan 0.000 0.431 165 M N 3.273 122.837 119.600 -0.059 0.000 2.528 165 M HA 0.599 5.079 4.480 0.000 0.000 0.321 165 M C -0.520 175.750 176.300 -0.050 0.000 1.153 165 M CA -0.238 55.025 55.300 -0.061 0.000 0.951 165 M CB 2.713 35.273 32.600 -0.066 0.000 1.705 165 M HN 0.500 nan 8.290 nan 0.000 0.451 166 T N 2.398 116.914 114.554 -0.063 0.000 3.133 166 T HA 0.405 4.755 4.350 0.000 0.000 0.368 166 T C -2.636 172.026 174.700 -0.063 0.000 1.190 166 T CA -1.079 60.993 62.100 -0.046 0.000 1.282 166 T CB 0.338 69.184 68.868 -0.037 0.000 1.042 166 T HN 0.306 nan 8.240 nan 0.000 0.536 167 P HA 0.376 nan 4.420 nan 0.000 0.282 167 P C -0.483 176.797 177.300 -0.032 0.000 1.262 167 P CA -0.580 62.482 63.100 -0.063 0.000 0.773 167 P CB 0.667 32.376 31.700 0.015 0.000 0.879 168 V N 0.601 120.486 119.914 -0.048 0.000 2.417 168 V HA 0.733 4.853 4.120 0.000 0.000 0.291 168 V C 0.236 176.248 176.094 -0.137 0.000 1.024 168 V CA -0.485 61.777 62.300 -0.063 0.000 0.861 168 V CB 1.475 33.272 31.823 -0.044 0.000 0.985 168 V HN 0.579 nan 8.190 nan 0.000 0.436 169 S N 2.300 117.885 115.700 -0.192 0.000 2.828 169 S HA 0.734 5.205 4.470 0.000 0.000 0.240 169 S C 0.552 174.993 174.600 -0.265 0.000 0.912 169 S CA 0.442 58.370 58.200 -0.454 0.000 1.100 169 S CB 0.258 63.176 63.200 -0.470 0.000 1.271 169 S HN 2.560 nan 8.310 nan 0.000 0.476 170 A N 2.303 125.043 122.820 -0.132 0.000 5.391 170 A HA -0.387 3.934 4.320 0.000 0.000 0.315 170 A C 1.277 178.819 177.584 -0.069 0.000 1.874 170 A CA 1.831 53.822 52.037 -0.076 0.000 0.714 170 A CB -1.843 17.127 19.000 -0.050 0.000 1.335 170 A HN 0.632 nan 8.150 nan 0.000 0.382 171 Q N 0.730 120.486 119.800 -0.072 0.000 2.515 171 Q HA 0.155 4.496 4.340 0.000 0.000 0.212 171 Q C 1.832 177.885 176.000 0.087 0.000 0.970 171 Q CA 1.395 57.219 55.803 0.034 0.000 0.941 171 Q CB -0.147 28.664 28.738 0.122 0.000 0.998 171 Q HN 0.979 nan 8.270 nan 0.000 0.518 172 S N -2.457 113.246 115.700 0.006 0.000 2.540 172 S HA 0.181 4.651 4.470 0.000 0.000 0.218 172 S C 1.584 176.174 174.600 -0.017 0.000 0.977 172 S CA -0.150 58.036 58.200 -0.023 0.000 0.918 172 S CB 0.348 63.528 63.200 -0.032 0.000 0.806 172 S HN 0.077 nan 8.310 nan 0.000 0.496 173 S N 2.320 118.009 115.700 -0.018 0.000 2.365 173 S HA -0.058 4.412 4.470 0.000 0.000 0.225 173 S C 2.117 176.729 174.600 0.019 0.000 1.039 173 S CA 1.677 59.872 58.200 -0.008 0.000 1.033 173 S CB -1.056 62.135 63.200 -0.015 0.000 0.887 173 S HN 0.766 nan 8.310 nan 0.000 0.447 174 G N 0.447 109.260 108.800 0.022 0.000 2.422 174 G HA2 -0.148 3.813 3.960 0.000 0.000 0.218 174 G HA3 -0.148 3.813 3.960 0.000 0.000 0.218 174 G C 1.612 176.533 174.900 0.035 0.000 1.146 174 G CA 1.071 46.190 45.100 0.031 0.000 0.769 174 G HN 0.507 nan 8.290 nan 0.000 0.547 175 S N -0.223 115.489 115.700 0.019 0.000 2.355 175 S HA -0.060 4.410 4.470 0.000 0.000 0.222 175 S C 2.148 176.754 174.600 0.011 0.000 1.031 175 S CA 1.317 59.524 58.200 0.011 0.000 0.993 175 S CB -0.150 63.031 63.200 -0.032 0.000 0.859 175 S HN 0.628 nan 8.310 nan 0.000 0.453 176 E N 0.998 121.210 120.200 0.020 0.000 2.110 176 E HA -0.136 4.214 4.350 0.000 0.000 0.193 176 E C 2.069 178.748 176.600 0.131 0.000 0.988 176 E CA 0.964 57.392 56.400 0.047 0.000 0.804 176 E CB -0.228 29.531 29.700 0.098 0.000 0.745 176 E HN 0.470 nan 8.360 nan 0.000 0.458 177 A N 0.929 123.825 122.820 0.128 0.000 1.940 177 A HA -0.179 4.142 4.320 0.000 0.000 0.219 177 A C 2.102 179.763 177.584 0.128 0.000 1.176 177 A CA 1.435 53.556 52.037 0.140 0.000 0.631 177 A CB -0.596 18.455 19.000 0.085 0.000 0.814 177 A HN 0.348 nan 8.150 nan 0.000 0.446 178 I N -0.492 120.133 120.570 0.092 0.000 2.439 178 I HA -0.182 3.988 4.170 0.000 0.000 0.251 178 I C 2.850 179.007 176.117 0.066 0.000 1.139 178 I CA 0.791 62.145 61.300 0.090 0.000 1.438 178 I CB -0.314 37.745 38.000 0.098 0.000 1.085 178 I HN 0.331 nan 8.210 nan 0.000 0.427 179 A N 0.546 123.367 122.820 0.001 0.000 1.873 179 A HA -0.231 4.089 4.320 0.000 0.000 0.215 179 A C 2.055 179.645 177.584 0.010 0.000 1.186 179 A CA 1.647 53.647 52.037 -0.060 0.000 0.616 179 A CB -1.076 17.805 19.000 -0.198 0.000 0.823 179 A HN 0.434 nan 8.150 nan 0.000 0.442 180 H N -0.872 118.247 119.070 0.081 0.000 2.521 180 H HA 0.177 4.733 4.556 0.000 0.000 0.286 180 H C 2.177 177.542 175.328 0.061 0.000 1.034 180 H CA 0.856 56.943 56.048 0.064 0.000 1.278 180 H CB 0.102 29.886 29.762 0.036 0.000 1.386 180 H HN 0.551 nan 8.280 nan 0.000 0.567 181 A N -0.206 122.723 122.820 0.181 0.000 1.984 181 A HA -0.093 4.227 4.320 0.000 0.000 0.214 181 A C 1.904 179.567 177.584 0.131 0.000 1.173 181 A CA 0.479 52.597 52.037 0.135 0.000 0.673 181 A CB -0.681 18.397 19.000 0.131 0.000 0.830 181 A HN 0.614 nan 8.150 nan 0.000 0.453 182 W N 1.315 122.589 121.300 -0.044 0.000 2.358 182 W HA -0.150 4.511 4.660 0.001 0.000 0.303 182 W C 2.227 178.684 176.519 -0.104 0.000 1.208 182 W CA 1.891 59.181 57.345 -0.092 0.000 1.274 182 W CB -0.144 29.221 29.460 -0.157 0.000 1.138 182 W HN 0.228 nan 8.180 nan 0.000 0.515 183 R N -0.144 120.318 120.500 -0.062 0.000 2.080 183 R HA -0.262 4.078 4.340 0.000 0.000 0.236 183 R C 2.183 178.360 176.300 -0.205 0.000 1.137 183 R CA 2.010 57.969 56.100 -0.235 0.000 0.943 183 R CB -1.054 29.232 30.300 -0.023 0.000 0.846 183 R HN 0.197 nan 8.270 nan 0.000 0.431 184 Q N 0.892 120.648 119.800 -0.073 0.000 2.197 184 Q HA -0.150 4.190 4.340 0.000 0.000 0.207 184 Q C 1.768 177.714 176.000 -0.090 0.000 0.984 184 Q CA 1.584 57.357 55.803 -0.051 0.000 0.869 184 Q CB -0.052 28.686 28.738 -0.000 0.000 0.906 184 Q HN 0.412 nan 8.270 nan 0.000 0.426 185 I N -0.883 119.600 120.570 -0.144 0.000 2.296 185 I HA -0.150 4.021 4.170 0.000 0.000 0.242 185 I C 2.113 178.104 176.117 -0.211 0.000 1.087 185 I CA 0.942 62.153 61.300 -0.148 0.000 1.393 185 I CB -0.436 37.485 38.000 -0.132 0.000 1.093 185 I HN 0.208 nan 8.210 nan 0.000 0.421 186 V N -1.291 118.373 119.914 -0.417 0.000 2.594 186 V HA -0.209 3.911 4.120 0.000 0.000 0.253 186 V C 2.186 178.169 176.094 -0.185 0.000 1.069 186 V CA 1.485 63.549 62.300 -0.394 0.000 1.082 186 V CB -0.730 30.556 31.823 -0.896 0.000 0.680 186 V HN 0.353 nan 8.190 nan 0.000 0.469 187 M N 0.620 120.107 119.600 -0.188 0.000 2.394 187 M HA 0.243 4.723 4.480 0.000 0.000 0.264 187 M C 1.713 177.984 176.300 -0.048 0.000 1.073 187 M CA 1.355 56.605 55.300 -0.083 0.000 1.111 187 M CB -0.106 32.450 32.600 -0.073 0.000 1.401 187 M HN 0.724 nan 8.290 nan 0.000 0.448 188 G N 0.600 109.365 108.800 -0.059 0.000 2.148 188 G HA2 -0.201 3.760 3.960 0.000 0.000 0.203 188 G HA3 -0.201 3.760 3.960 0.000 0.000 0.203 188 G C 0.065 174.954 174.900 -0.019 0.000 0.993 188 G CA 0.260 45.343 45.100 -0.030 0.000 0.661 188 G HN 0.438 nan 8.290 nan 0.000 0.518 189 D N 0.343 120.727 120.400 -0.026 0.000 2.348 189 D HA 0.534 5.174 4.640 0.000 0.000 0.211 189 D C 1.218 177.517 176.300 -0.002 0.000 0.998 189 D CA 1.574 55.567 54.000 -0.012 0.000 0.873 189 D CB 0.482 41.273 40.800 -0.015 0.000 0.925 189 D HN 1.019 nan 8.370 nan 0.000 0.524 190 A N -0.371 122.446 122.820 -0.006 0.000 2.604 190 A HA 0.411 4.731 4.320 0.000 0.000 0.295 190 A C -0.617 176.961 177.584 -0.011 0.000 1.067 190 A CA -0.682 51.364 52.037 0.013 0.000 0.683 190 A CB 1.228 20.248 19.000 0.034 0.000 1.281 190 A HN -0.149 nan 8.150 nan 0.000 0.407 191 D N -0.450 119.935 120.400 -0.025 0.000 2.388 191 D HA 0.236 4.876 4.640 0.000 0.000 0.208 191 D C 0.075 176.195 176.300 -0.300 0.000 1.035 191 D CA 1.213 55.144 54.000 -0.115 0.000 0.875 191 D CB 1.444 42.215 40.800 -0.048 0.000 0.984 191 D HN 0.467 nan 8.370 nan 0.000 0.508 192 V N -0.326 119.471 119.914 -0.194 0.000 3.012 192 V HA 0.755 4.875 4.120 0.000 0.000 0.307 192 V C -1.966 174.215 176.094 0.144 0.000 1.166 192 V CA -0.571 61.625 62.300 -0.174 0.000 0.974 192 V CB 2.111 33.683 31.823 -0.419 0.000 1.040 192 V HN 0.056 nan 8.190 nan 0.000 0.428 193 A N 4.394 127.318 122.820 0.174 0.000 2.574 193 A HA 0.828 5.148 4.320 0.000 0.000 0.297 193 A C -1.623 176.137 177.584 0.293 0.000 1.062 193 A CA -0.461 51.752 52.037 0.294 0.000 0.686 193 A CB 2.138 21.237 19.000 0.165 0.000 1.285 193 A HN 1.336 nan 8.150 nan 0.000 0.403 194 V N 1.448 121.576 119.914 0.356 0.000 2.347 194 V HA 0.521 4.641 4.120 0.000 0.000 0.280 194 V C -0.154 176.036 176.094 0.159 0.000 1.021 194 V CA -0.302 62.159 62.300 0.268 0.000 0.847 194 V CB 0.440 32.462 31.823 0.332 0.000 0.990 194 V HN 1.299 nan 8.190 nan 0.000 0.444 195 C N 2.648 122.027 119.300 0.130 0.000 2.698 195 C HA 1.091 5.551 4.460 0.000 0.000 0.309 195 C C 0.380 175.422 174.990 0.086 0.000 1.186 195 C CA -0.103 58.977 59.018 0.102 0.000 1.474 195 C CB 0.828 28.635 27.740 0.112 0.000 2.020 195 C HN 1.239 nan 8.230 nan 0.000 0.474 196 G N 0.592 109.434 108.800 0.070 0.000 2.399 196 G HA2 0.732 4.692 3.960 0.000 0.000 0.256 196 G HA3 0.732 4.692 3.960 0.000 0.000 0.256 196 G C -0.769 174.158 174.900 0.046 0.000 1.236 196 G CA 0.234 45.368 45.100 0.057 0.000 0.914 196 G HN 1.902 nan 8.290 nan 0.000 0.482 197 G N -1.285 107.539 108.800 0.039 0.000 2.696 197 G HA2 0.873 4.833 3.960 0.000 0.000 0.295 197 G HA3 0.873 4.833 3.960 0.000 0.000 0.295 197 G C -0.821 174.102 174.900 0.038 0.000 1.398 197 G CA 0.385 45.506 45.100 0.036 0.000 0.920 197 G HN 1.929 nan 8.290 nan 0.000 0.492 198 V N -1.849 118.089 119.914 0.040 0.000 3.141 198 V HA 1.041 5.161 4.120 0.000 0.000 0.312 198 V C -0.977 175.157 176.094 0.068 0.000 1.157 198 V CA -1.138 61.195 62.300 0.055 0.000 1.041 198 V CB 2.054 33.904 31.823 0.045 0.000 1.071 198 V HN 0.986 nan 8.190 nan 0.000 0.441 199 E N 0.008 120.272 120.200 0.106 0.000 2.388 199 E HA 0.615 4.965 4.350 0.000 0.000 0.281 199 E C -0.091 176.589 176.600 0.132 0.000 1.046 199 E CA 0.261 56.714 56.400 0.088 0.000 0.825 199 E CB 1.596 31.323 29.700 0.046 0.000 1.243 199 E HN 1.359 nan 8.360 nan 0.000 0.438 200 G N 2.110 110.926 108.800 0.027 0.000 2.716 200 G HA2 0.400 4.360 3.960 0.000 0.000 0.251 200 G HA3 0.400 4.360 3.960 0.000 0.000 0.251 200 G C -2.134 172.593 174.900 -0.288 0.000 1.224 200 G CA -0.527 44.465 45.100 -0.180 0.000 0.891 200 G HN 0.456 nan 8.290 nan 0.000 0.561 201 P HA 0.377 nan 4.420 nan 0.000 0.284 201 P C -0.012 177.130 177.300 -0.264 0.000 1.287 201 P CA -0.820 62.091 63.100 -0.315 0.000 0.824 201 P CB 1.250 32.720 31.700 -0.384 0.000 1.180 202 I N 0.839 121.336 120.570 -0.123 0.000 2.741 202 I HA 0.008 4.178 4.170 0.000 0.000 0.288 202 I C 1.244 177.379 176.117 0.030 0.000 1.192 202 I CA 1.181 62.404 61.300 -0.128 0.000 1.426 202 I CB -0.186 37.864 38.000 0.083 0.000 1.367 202 I HN 0.273 nan 8.210 nan 0.000 0.563 203 E N 3.507 123.625 120.200 -0.138 0.000 2.442 203 E HA 0.504 4.855 4.350 0.000 0.000 0.271 203 E C 0.284 176.535 176.600 -0.583 0.000 1.002 203 E CA -0.510 55.689 56.400 -0.335 0.000 0.864 203 E CB 1.519 31.037 29.700 -0.305 0.000 1.573 203 E HN 0.463 nan 8.360 nan 0.000 0.456 204 A N 0.513 122.762 122.820 -0.952 0.000 1.878 204 A HA -0.017 4.303 4.320 0.000 0.000 0.213 204 A C 1.826 179.112 177.584 -0.496 0.000 1.192 204 A CA 0.710 52.240 52.037 -0.845 0.000 0.619 204 A CB -0.317 18.054 19.000 -1.049 0.000 0.837 204 A HN 0.416 nan 8.150 nan 0.000 0.446 205 L N 0.219 121.185 121.223 -0.429 0.000 2.027 205 L HA -0.046 4.294 4.340 0.000 0.000 0.206 205 L C -0.712 176.077 176.870 -0.135 0.000 1.074 205 L CA 2.219 56.882 54.840 -0.295 0.000 0.745 205 L CB -1.839 40.071 42.059 -0.248 0.000 0.898 205 L HN 0.159 nan 8.230 nan 0.000 0.433 206 P HA -0.164 nan 4.420 nan 0.000 0.215 206 P C 2.117 179.636 177.300 0.364 0.000 1.157 206 P CA 1.463 64.658 63.100 0.157 0.000 0.868 206 P CB 0.103 31.838 31.700 0.058 0.000 0.788 207 I N -0.626 120.085 120.570 0.235 0.000 2.163 207 I HA -0.291 3.879 4.170 0.000 0.000 0.243 207 I C 2.299 178.519 176.117 0.171 0.000 1.085 207 I CA 1.675 63.153 61.300 0.297 0.000 1.347 207 I CB -0.774 37.341 38.000 0.191 0.000 1.044 207 I HN -0.085 nan 8.210 nan 0.000 0.408 208 A N 0.509 123.346 122.820 0.029 0.000 1.933 208 A HA -0.148 4.173 4.320 0.000 0.000 0.218 208 A C 2.493 180.078 177.584 0.002 0.000 1.175 208 A CA 1.833 53.855 52.037 -0.025 0.000 0.628 208 A CB -0.725 18.185 19.000 -0.150 0.000 0.814 208 A HN 0.456 nan 8.150 nan 0.000 0.444 209 A N -1.011 121.814 122.820 0.009 0.000 1.841 209 A HA 0.063 4.384 4.320 0.000 0.000 0.214 209 A C 1.916 179.483 177.584 -0.029 0.000 1.195 209 A CA 1.427 53.428 52.037 -0.059 0.000 0.611 209 A CB -0.777 18.135 19.000 -0.148 0.000 0.835 209 A HN 0.445 nan 8.150 nan 0.000 0.443 210 F N -0.021 120.002 119.950 0.122 0.000 2.293 210 F HA -0.059 4.468 4.527 0.000 0.000 0.300 210 F C 2.809 178.651 175.800 0.069 0.000 1.086 210 F CA 1.358 59.453 58.000 0.158 0.000 1.375 210 F CB -0.151 38.988 39.000 0.231 0.000 1.045 210 F HN 0.218 nan 8.300 nan 0.000 0.516 211 S N -0.657 115.155 115.700 0.187 0.000 2.461 211 S HA -0.067 4.404 4.470 0.000 0.000 0.228 211 S C 2.071 176.703 174.600 0.052 0.000 1.005 211 S CA 0.662 58.909 58.200 0.079 0.000 0.942 211 S CB -0.098 63.133 63.200 0.052 0.000 0.776 211 S HN 0.109 nan 8.310 nan 0.000 0.514 212 M N 0.680 120.307 119.600 0.044 0.000 2.419 212 M HA 0.172 4.652 4.480 0.000 0.000 0.264 212 M C 1.712 178.026 176.300 0.024 0.000 1.082 212 M CA 0.923 56.234 55.300 0.019 0.000 1.119 212 M CB -1.079 31.519 32.600 -0.004 0.000 1.398 212 M HN 0.401 nan 8.290 nan 0.000 0.453 213 M N -0.991 118.638 119.600 0.050 0.000 2.557 213 M HA -0.047 4.433 4.480 0.000 0.000 0.259 213 M C 0.291 176.628 176.300 0.061 0.000 1.086 213 M CA 0.442 55.777 55.300 0.058 0.000 1.096 213 M CB -0.251 32.423 32.600 0.123 0.000 1.424 213 M HN 0.193 nan 8.290 nan 0.000 0.488 214 R N 0.123 120.657 120.500 0.057 0.000 3.205 214 R HA -0.203 4.137 4.340 0.000 0.000 0.249 214 R C 0.172 176.507 176.300 0.059 0.000 0.937 214 R CA 0.328 56.450 56.100 0.037 0.000 0.641 214 R CB -1.282 29.030 30.300 0.020 0.000 1.114 214 R HN 0.557 nan 8.270 nan 0.000 0.451 215 A N 0.336 123.213 122.820 0.096 0.000 2.287 215 A HA 0.283 4.603 4.320 0.000 0.000 0.214 215 A C 0.829 178.402 177.584 -0.019 0.000 1.228 215 A CA -0.086 52.047 52.037 0.159 0.000 0.939 215 A CB 0.467 19.714 19.000 0.412 0.000 0.992 215 A HN 0.280 nan 8.150 nan 0.000 0.502 216 M N 0.593 120.064 119.600 -0.215 0.000 2.274 216 M HA 0.321 4.802 4.480 0.000 0.000 0.344 216 M C 0.383 176.508 176.300 -0.292 0.000 1.161 216 M CA -0.242 54.740 55.300 -0.531 0.000 1.126 216 M CB 1.387 33.630 32.600 -0.595 0.000 1.522 216 M HN 0.166 nan 8.290 nan 0.000 0.461 217 S N 0.667 116.180 115.700 -0.313 0.000 2.564 217 S HA 0.190 4.660 4.470 0.000 0.000 0.278 217 S C 0.752 175.266 174.600 -0.144 0.000 1.333 217 S CA -0.353 57.742 58.200 -0.175 0.000 1.048 217 S CB 0.368 63.477 63.200 -0.151 0.000 0.900 217 S HN 0.810 nan 8.310 nan 0.000 0.505 218 T N 1.753 116.254 114.554 -0.088 0.000 3.228 218 T HA 0.290 4.640 4.350 0.000 0.000 0.278 218 T C 0.482 175.156 174.700 -0.044 0.000 1.014 218 T CA -0.463 61.600 62.100 -0.061 0.000 0.904 218 T CB -0.238 68.606 68.868 -0.040 0.000 1.110 218 T HN 0.610 nan 8.240 nan 0.000 0.541 219 R N 1.782 122.253 120.500 -0.048 0.000 3.641 219 R HA 0.227 4.567 4.340 0.000 0.000 0.189 219 R C 0.297 176.578 176.300 -0.032 0.000 1.706 219 R CA 0.067 56.147 56.100 -0.034 0.000 1.311 219 R CB -0.767 29.513 30.300 -0.033 0.000 1.330 219 R HN 0.500 nan 8.270 nan 0.000 0.727 220 N N 0.388 119.073 118.700 -0.024 0.000 2.376 220 N HA -0.136 4.604 4.740 0.000 0.000 0.177 220 N C 0.896 176.399 175.510 -0.011 0.000 1.024 220 N CA 0.702 53.740 53.050 -0.020 0.000 0.893 220 N CB 0.202 38.682 38.487 -0.012 0.000 0.980 220 N HN 0.553 nan 8.380 nan 0.000 0.439 221 D N 1.054 121.449 120.400 -0.008 0.000 2.264 221 D HA -0.132 4.508 4.640 0.000 0.000 0.208 221 D C -0.100 176.199 176.300 -0.001 0.000 0.966 221 D CA 1.086 55.085 54.000 -0.002 0.000 0.864 221 D CB -0.074 40.725 40.800 -0.001 0.000 0.933 221 D HN 0.260 nan 8.370 nan 0.000 0.499 222 E N 0.190 120.386 120.200 -0.006 0.000 2.518 222 E HA 0.220 4.570 4.350 0.000 0.000 0.240 222 E C -2.160 174.435 176.600 -0.009 0.000 0.996 222 E CA -1.747 54.651 56.400 -0.003 0.000 0.768 222 E CB 2.281 31.979 29.700 -0.002 0.000 1.329 222 E HN -0.009 nan 8.360 nan 0.000 0.408 223 P HA -0.147 nan 4.420 nan 0.000 0.216 223 P C 0.757 178.047 177.300 -0.016 0.000 1.153 223 P CA 0.998 64.085 63.100 -0.021 0.000 0.844 223 P CB 0.370 32.063 31.700 -0.012 0.000 0.787 224 E N -0.558 119.644 120.200 0.003 0.000 2.418 224 E HA -0.048 4.302 4.350 0.000 0.000 0.197 224 E C 1.388 177.992 176.600 0.007 0.000 1.026 224 E CA 0.454 56.860 56.400 0.010 0.000 0.862 224 E CB -0.132 29.581 29.700 0.022 0.000 0.799 224 E HN 0.336 nan 8.360 nan 0.000 0.518 225 R N -0.373 120.127 120.500 0.001 0.000 2.432 225 R HA 0.269 4.609 4.340 0.000 0.000 0.260 225 R C 1.712 178.007 176.300 -0.009 0.000 0.935 225 R CA 0.276 56.377 56.100 0.002 0.000 1.080 225 R CB 0.550 30.852 30.300 0.004 0.000 1.155 225 R HN -0.014 nan 8.270 nan 0.000 0.531 226 A N 1.050 123.857 122.820 -0.022 0.000 1.897 226 A HA -0.002 4.319 4.320 0.000 0.000 0.215 226 A C 1.302 178.861 177.584 -0.041 0.000 1.181 226 A CA 0.805 52.818 52.037 -0.039 0.000 0.620 226 A CB 0.065 19.030 19.000 -0.059 0.000 0.821 226 A HN 0.143 nan 8.150 nan 0.000 0.443 227 S N 0.567 116.246 115.700 -0.035 0.000 2.422 227 S HA 0.383 4.854 4.470 0.000 0.000 0.283 227 S C 0.091 174.679 174.600 -0.020 0.000 1.163 227 S CA -0.454 57.724 58.200 -0.037 0.000 1.054 227 S CB -0.223 62.953 63.200 -0.039 0.000 0.967 227 S HN 0.416 nan 8.310 nan 0.000 0.499 228 R N 4.261 124.748 120.500 -0.022 0.000 2.835 228 R HA 0.240 4.581 4.340 0.000 0.000 0.290 228 R C -2.992 173.309 176.300 0.002 0.000 1.410 228 R CA -1.751 54.357 56.100 0.012 0.000 1.590 228 R CB 0.699 31.008 30.300 0.016 0.000 1.288 228 R HN 0.336 nan 8.270 nan 0.000 0.637 229 P HA -0.037 nan 4.420 nan 0.000 0.261 229 P C -0.243 177.046 177.300 -0.019 0.000 1.183 229 P CA 0.436 63.397 63.100 -0.231 0.000 0.761 229 P CB 0.090 31.602 31.700 -0.313 0.000 0.785 230 F N -0.433 119.591 119.950 0.125 0.000 2.748 230 F HA -0.254 4.273 4.527 0.000 0.000 0.370 230 F C 0.791 176.696 175.800 0.174 0.000 0.620 230 F CA 0.954 59.064 58.000 0.183 0.000 1.233 230 F CB -2.394 36.758 39.000 0.255 0.000 1.708 230 F HN 0.285 nan 8.300 nan 0.000 0.298 231 D N 0.379 120.916 120.400 0.229 0.000 2.339 231 D HA 0.264 4.904 4.640 0.000 0.000 0.245 231 D C 1.094 177.412 176.300 0.029 0.000 1.115 231 D CA -0.163 53.870 54.000 0.055 0.000 0.917 231 D CB 0.923 41.744 40.800 0.035 0.000 1.192 231 D HN 0.194 nan 8.370 nan 0.000 0.428 232 K N 1.035 121.425 120.400 -0.017 0.000 2.459 232 K HA 0.000 4.320 4.320 0.000 0.000 0.193 232 K C 0.020 176.617 176.600 -0.006 0.000 1.030 232 K CA 0.615 56.898 56.287 -0.006 0.000 1.026 232 K CB 0.317 32.804 32.500 -0.022 0.000 0.809 232 K HN 0.452 nan 8.250 nan 0.000 0.504 233 D N 1.156 121.550 120.400 -0.010 0.000 2.398 233 D HA -0.017 4.624 4.640 0.000 0.000 0.210 233 D C -0.319 175.977 176.300 -0.008 0.000 1.094 233 D CA -0.039 53.955 54.000 -0.010 0.000 0.839 233 D CB 0.342 41.133 40.800 -0.014 0.000 0.963 233 D HN 0.300 nan 8.370 nan 0.000 0.506 234 R N 2.180 122.678 120.500 -0.003 0.000 2.538 234 R HA 0.022 4.362 4.340 0.000 0.000 0.282 234 R C 0.049 176.342 176.300 -0.011 0.000 1.009 234 R CA 0.440 56.534 56.100 -0.009 0.000 1.063 234 R CB 0.170 30.464 30.300 -0.011 0.000 0.945 234 R HN -0.134 nan 8.270 nan 0.000 0.414 235 D N 1.701 122.088 120.400 -0.022 0.000 2.650 235 D HA 0.234 4.875 4.640 0.000 0.000 0.265 235 D C 0.314 176.592 176.300 -0.036 0.000 1.339 235 D CA 0.006 53.991 54.000 -0.024 0.000 0.816 235 D CB 0.606 41.389 40.800 -0.028 0.000 1.091 235 D HN 0.849 nan 8.370 nan 0.000 0.483 236 G N 0.496 109.280 108.800 -0.026 0.000 2.354 236 G HA2 0.182 4.142 3.960 0.000 0.000 0.582 236 G HA3 0.182 4.142 3.960 0.000 0.000 0.582 236 G C -0.829 174.057 174.900 -0.025 0.000 1.316 236 G CA -0.692 44.398 45.100 -0.017 0.000 0.995 236 G HN 0.293 nan 8.290 nan 0.000 0.573 237 F N -0.214 119.674 119.950 -0.103 0.000 2.371 237 F HA 0.823 5.350 4.527 0.001 0.000 0.329 237 F C 0.144 175.816 175.800 -0.212 0.000 1.107 237 F CA -1.230 56.681 58.000 -0.148 0.000 1.137 237 F CB 1.427 40.356 39.000 -0.118 0.000 1.214 237 F HN 0.411 nan 8.300 nan 0.000 0.536 238 V N 3.681 123.547 119.914 -0.081 0.000 2.581 238 V HA 0.273 4.393 4.120 0.000 0.000 0.303 238 V C -0.437 175.688 176.094 0.052 0.000 1.041 238 V CA -0.794 61.396 62.300 -0.183 0.000 0.907 238 V CB 1.398 33.168 31.823 -0.089 0.000 0.994 238 V HN 0.652 nan 8.190 nan 0.000 0.442 239 F N 2.625 122.570 119.950 -0.010 0.000 2.495 239 F HA 0.561 5.089 4.527 0.000 0.000 0.365 239 F C 0.981 176.782 175.800 0.000 0.000 1.090 239 F CA -0.226 57.810 58.000 0.059 0.000 1.235 239 F CB 0.905 39.898 39.000 -0.013 0.000 1.119 239 F HN 0.515 nan 8.300 nan 0.000 0.562 240 G N 4.172 113.144 108.800 0.288 0.000 2.753 240 G HA2 0.391 4.352 3.960 0.000 0.000 0.282 240 G HA3 0.391 4.352 3.960 0.000 0.000 0.282 240 G C -1.116 173.870 174.900 0.142 0.000 1.512 240 G CA -0.736 44.452 45.100 0.147 0.000 1.076 240 G HN 0.524 nan 8.290 nan 0.000 0.545 241 E N 0.451 120.722 120.200 0.119 0.000 2.373 241 E HA 0.541 4.892 4.350 0.000 0.000 0.267 241 E C 0.360 177.029 176.600 0.114 0.000 1.032 241 E CA 0.296 56.764 56.400 0.113 0.000 0.889 241 E CB 1.574 31.360 29.700 0.143 0.000 0.984 241 E HN 0.753 nan 8.360 nan 0.000 0.425 242 A N 1.406 124.289 122.820 0.105 0.000 2.511 242 A HA 0.804 5.125 4.320 0.000 0.000 0.293 242 A C -1.023 176.612 177.584 0.085 0.000 1.098 242 A CA -0.163 51.929 52.037 0.091 0.000 0.643 242 A CB 1.861 20.906 19.000 0.075 0.000 1.302 242 A HN 0.646 nan 8.150 nan 0.000 0.446 243 G N -1.360 107.479 108.800 0.065 0.000 2.716 243 G HA2 0.837 4.797 3.960 0.000 0.000 0.299 243 G HA3 0.837 4.797 3.960 0.000 0.000 0.299 243 G C -0.941 173.981 174.900 0.037 0.000 1.450 243 G CA 0.583 45.715 45.100 0.052 0.000 0.968 243 G HN 2.183 nan 8.290 nan 0.000 0.566 244 A N 1.444 124.283 122.820 0.032 0.000 2.520 244 A HA 0.896 5.216 4.320 0.000 0.000 0.298 244 A C -1.253 176.350 177.584 0.030 0.000 1.051 244 A CA -0.533 51.519 52.037 0.025 0.000 0.690 244 A CB 1.475 20.485 19.000 0.017 0.000 1.281 244 A HN 0.892 nan 8.150 nan 0.000 0.402 245 L N 1.942 123.183 121.223 0.031 0.000 2.371 245 L HA 0.823 5.164 4.340 0.000 0.000 0.262 245 L C -0.399 176.498 176.870 0.045 0.000 1.006 245 L CA -0.762 54.108 54.840 0.049 0.000 0.818 245 L CB 2.352 44.449 42.059 0.063 0.000 1.354 245 L HN 0.980 nan 8.230 nan 0.000 0.415 246 M N 1.759 121.398 119.600 0.064 0.000 2.484 246 M HA 0.559 5.040 4.480 0.000 0.000 0.289 246 M C -1.765 174.587 176.300 0.086 0.000 1.206 246 M CA -0.797 54.538 55.300 0.057 0.000 0.892 246 M CB 2.554 35.182 32.600 0.048 0.000 1.712 246 M HN 0.315 nan 8.290 nan 0.000 0.462 247 L N 4.543 125.803 121.223 0.062 0.000 2.264 247 L HA 0.715 5.055 4.340 0.000 0.000 0.289 247 L C -0.871 176.026 176.870 0.044 0.000 1.044 247 L CA -0.437 54.441 54.840 0.065 0.000 0.807 247 L CB 0.994 43.058 42.059 0.007 0.000 1.192 247 L HN 0.806 nan 8.230 nan 0.000 0.425 248 I N 2.506 123.117 120.570 0.067 0.000 2.693 248 I HA 0.850 5.021 4.170 0.000 0.000 0.303 248 I C -0.962 175.165 176.117 0.017 0.000 1.025 248 I CA -0.371 60.965 61.300 0.060 0.000 1.086 248 I CB 2.098 40.164 38.000 0.110 0.000 1.268 248 I HN 0.808 nan 8.210 nan 0.000 0.440 249 E N 2.123 122.324 120.200 0.002 0.000 2.439 249 E HA 0.297 4.647 4.350 0.000 0.000 0.279 249 E C -1.298 175.303 176.600 0.002 0.000 1.077 249 E CA -0.986 55.377 56.400 -0.063 0.000 0.849 249 E CB 1.254 30.866 29.700 -0.147 0.000 1.408 249 E HN 0.727 nan 8.360 nan 0.000 0.457 250 T N -1.675 112.881 114.554 0.003 0.000 2.930 250 T HA 0.043 4.393 4.350 0.000 0.000 0.306 250 T C 0.950 175.708 174.700 0.096 0.000 1.045 250 T CA 0.005 62.143 62.100 0.064 0.000 1.134 250 T CB 1.275 70.186 68.868 0.071 0.000 0.961 250 T HN 0.693 nan 8.240 nan 0.000 0.545 251 E N 0.726 120.984 120.200 0.098 0.000 2.267 251 E HA -0.239 4.111 4.350 0.000 0.000 0.197 251 E C 1.859 178.514 176.600 0.093 0.000 0.998 251 E CA 1.432 57.892 56.400 0.100 0.000 0.830 251 E CB 0.073 29.859 29.700 0.142 0.000 0.751 251 E HN 0.942 nan 8.360 nan 0.000 0.491 252 E N -0.615 119.643 120.200 0.096 0.000 2.122 252 E HA -0.199 4.151 4.350 0.000 0.000 0.190 252 E C 2.175 178.820 176.600 0.074 0.000 0.977 252 E CA 0.493 56.939 56.400 0.077 0.000 0.820 252 E CB -0.319 29.423 29.700 0.070 0.000 0.770 252 E HN 0.310 nan 8.360 nan 0.000 0.462 253 H N 0.609 119.682 119.070 0.005 0.000 2.267 253 H HA -0.118 4.439 4.556 0.000 0.000 0.297 253 H C 1.964 177.273 175.328 -0.031 0.000 1.080 253 H CA 2.247 58.288 56.048 -0.011 0.000 1.278 253 H CB -0.210 29.547 29.762 -0.009 0.000 1.365 253 H HN 0.342 nan 8.280 nan 0.000 0.489 254 A N 1.510 124.412 122.820 0.136 0.000 1.948 254 A HA -0.180 4.140 4.320 0.000 0.000 0.220 254 A C 2.453 180.021 177.584 -0.028 0.000 1.177 254 A CA 1.697 53.753 52.037 0.031 0.000 0.636 254 A CB -0.450 18.545 19.000 -0.008 0.000 0.815 254 A HN 0.275 nan 8.150 nan 0.000 0.449 255 K N -0.096 120.300 120.400 -0.007 0.000 2.002 255 K HA -0.054 4.267 4.320 0.000 0.000 0.209 255 K C 2.143 178.723 176.600 -0.034 0.000 1.048 255 K CA 1.487 57.771 56.287 -0.006 0.000 0.930 255 K CB -0.626 31.890 32.500 0.027 0.000 0.714 255 K HN 0.385 nan 8.250 nan 0.000 0.438 256 A N 1.717 124.502 122.820 -0.057 0.000 2.125 256 A HA -0.165 4.155 4.320 0.000 0.000 0.219 256 A C 1.840 179.361 177.584 -0.105 0.000 1.156 256 A CA 1.543 53.531 52.037 -0.081 0.000 0.671 256 A CB -0.366 18.571 19.000 -0.105 0.000 0.794 256 A HN 0.520 nan 8.150 nan 0.000 0.459 257 R N -2.346 118.080 120.500 -0.123 0.000 2.397 257 R HA 0.398 4.738 4.340 0.000 0.000 0.241 257 R C 1.052 177.297 176.300 -0.092 0.000 0.914 257 R CA 0.732 56.758 56.100 -0.123 0.000 1.071 257 R CB -0.316 29.885 30.300 -0.165 0.000 1.116 257 R HN 0.662 nan 8.270 nan 0.000 0.524 258 G N 0.388 109.146 108.800 -0.071 0.000 2.157 258 G HA2 -0.311 3.649 3.960 0.000 0.000 0.248 258 G HA3 -0.311 3.649 3.960 0.000 0.000 0.248 258 G C 0.261 175.122 174.900 -0.065 0.000 0.979 258 G CA -0.036 45.030 45.100 -0.057 0.000 0.650 258 G HN 0.658 nan 8.290 nan 0.000 0.529 259 A N -0.027 122.745 122.820 -0.081 0.000 2.454 259 A HA 0.625 4.945 4.320 0.000 0.000 0.260 259 A C 0.520 178.037 177.584 -0.110 0.000 1.106 259 A CA 0.835 52.812 52.037 -0.099 0.000 0.780 259 A CB 0.443 19.378 19.000 -0.109 0.000 1.044 259 A HN 0.889 nan 8.150 nan 0.000 0.498 260 K N 4.044 124.377 120.400 -0.110 0.000 2.285 260 K HA 0.462 4.782 4.320 0.000 0.000 0.286 260 K C -2.756 173.718 176.600 -0.209 0.000 1.072 260 K CA -1.555 54.651 56.287 -0.135 0.000 0.913 260 K CB 0.468 32.929 32.500 -0.066 0.000 1.067 260 K HN 0.359 nan 8.250 nan 0.000 0.479 261 P HA 0.053 nan 4.420 nan 0.000 0.271 261 P C 0.060 177.201 177.300 -0.265 0.000 1.216 261 P CA -0.219 62.624 63.100 -0.428 0.000 0.771 261 P CB 0.713 31.887 31.700 -0.877 0.000 0.864 262 L N 1.045 122.180 121.223 -0.147 0.000 2.270 262 L HA 0.283 4.623 4.340 0.000 0.000 0.210 262 L C 1.053 177.906 176.870 -0.029 0.000 1.104 262 L CA 0.733 55.522 54.840 -0.085 0.000 0.804 262 L CB -0.479 41.518 42.059 -0.103 0.000 0.937 262 L HN 0.437 nan 8.230 nan 0.000 0.450 263 A N -0.258 122.560 122.820 -0.002 0.000 2.483 263 A HA 0.665 4.985 4.320 0.000 0.000 0.294 263 A C -1.181 176.498 177.584 0.158 0.000 1.077 263 A CA -0.758 51.344 52.037 0.109 0.000 0.633 263 A CB 1.027 20.087 19.000 0.099 0.000 1.318 263 A HN 0.049 nan 8.150 nan 0.000 0.455 264 R N -0.708 119.933 120.500 0.236 0.000 2.664 264 R HA 0.675 5.016 4.340 0.000 0.000 0.286 264 R C -1.553 174.857 176.300 0.183 0.000 0.967 264 R CA -0.814 55.416 56.100 0.217 0.000 0.933 264 R CB 1.888 32.328 30.300 0.234 0.000 1.146 264 R HN 0.478 nan 8.270 nan 0.000 0.468 265 L N 3.881 125.137 121.223 0.055 0.000 2.318 265 L HA 0.308 4.648 4.340 0.000 0.000 0.277 265 L C -0.230 176.468 176.870 -0.287 0.000 1.008 265 L CA 0.038 54.712 54.840 -0.278 0.000 0.846 265 L CB 1.191 43.111 42.059 -0.232 0.000 1.220 265 L HN 0.739 nan 8.230 nan 0.000 0.423 266 L N 4.344 125.314 121.223 -0.422 0.000 2.554 266 L HA 0.584 4.924 4.340 0.000 0.000 0.225 266 L C 0.904 177.444 176.870 -0.550 0.000 1.104 266 L CA 0.396 55.084 54.840 -0.253 0.000 0.866 266 L CB -0.039 41.955 42.059 -0.109 0.000 1.047 266 L HN 0.795 nan 8.230 nan 0.000 0.468 267 G N -0.238 107.842 108.800 -1.201 0.000 2.339 267 G HA2 0.526 4.487 3.960 0.000 0.000 0.302 267 G HA3 0.526 4.487 3.960 0.000 0.000 0.302 267 G C -2.171 172.020 174.900 -1.182 0.000 1.425 267 G CA -0.052 44.036 45.100 -1.687 0.000 0.899 267 G HN 0.087 nan 8.290 nan 0.000 0.619 268 A N -1.067 121.205 122.820 -0.913 0.000 2.547 268 A HA 0.994 5.315 4.320 0.000 0.000 0.297 268 A C -0.035 177.402 177.584 -0.245 0.000 1.056 268 A CA 0.228 51.976 52.037 -0.481 0.000 0.688 268 A CB 1.773 20.523 19.000 -0.417 0.000 1.282 268 A HN 2.292 nan 8.150 nan 0.000 0.400 269 G N 0.124 108.823 108.800 -0.167 0.000 2.448 269 G HA2 0.652 4.613 3.960 0.000 0.000 0.324 269 G HA3 0.652 4.613 3.960 0.000 0.000 0.324 269 G C -1.067 173.798 174.900 -0.058 0.000 1.203 269 G CA -0.542 44.508 45.100 -0.084 0.000 0.954 269 G HN 0.689 nan 8.290 nan 0.000 0.480 270 I N 1.890 122.447 120.570 -0.022 0.000 2.497 270 I HA 0.349 4.519 4.170 0.000 0.000 0.284 270 I C 0.090 176.233 176.117 0.044 0.000 1.060 270 I CA -0.571 60.736 61.300 0.011 0.000 1.071 270 I CB 2.257 40.255 38.000 -0.003 0.000 1.216 270 I HN 0.686 nan 8.210 nan 0.000 0.442 271 T N 1.718 116.310 114.554 0.064 0.000 2.858 271 T HA 0.837 5.187 4.350 0.000 0.000 0.285 271 T C -0.315 174.424 174.700 0.065 0.000 1.052 271 T CA -0.677 61.458 62.100 0.058 0.000 1.009 271 T CB 2.144 71.039 68.868 0.045 0.000 1.241 271 T HN 0.492 nan 8.240 nan 0.000 0.542 272 S N -0.393 115.328 115.700 0.034 0.000 2.627 272 S HA 0.538 5.008 4.470 0.000 0.000 0.283 272 S C -0.364 174.240 174.600 0.007 0.000 1.127 272 S CA -0.835 57.367 58.200 0.003 0.000 0.863 272 S CB 1.811 64.978 63.200 -0.056 0.000 1.121 272 S HN 0.653 nan 8.310 nan 0.000 0.479 273 D N 0.960 121.367 120.400 0.012 0.000 2.213 273 D HA 0.241 4.881 4.640 0.000 0.000 0.205 273 D C 1.270 177.622 176.300 0.087 0.000 0.961 273 D CA 1.359 55.387 54.000 0.047 0.000 0.853 273 D CB -0.501 40.352 40.800 0.088 0.000 0.967 273 D HN 1.075 nan 8.370 nan 0.000 0.496 274 A N -0.135 122.720 122.820 0.058 0.000 2.511 274 A HA -0.258 4.062 4.320 0.000 0.000 0.297 274 A C 0.684 178.340 177.584 0.121 0.000 1.476 274 A CA 1.079 53.147 52.037 0.051 0.000 0.757 274 A CB -2.222 16.796 19.000 0.030 0.000 1.072 274 A HN 0.406 nan 8.150 nan 0.000 0.413 275 F N -1.104 118.838 119.950 -0.014 0.000 2.495 275 F HA 0.410 4.937 4.527 0.000 0.000 0.272 275 F C 0.745 176.578 175.800 0.055 0.000 0.919 275 F CA 1.121 59.130 58.000 0.014 0.000 1.178 275 F CB 0.527 39.536 39.000 0.016 0.000 1.030 275 F HN 0.577 nan 8.300 nan 0.000 0.777 276 H N -0.020 118.968 119.070 -0.136 0.000 3.017 276 H HA 0.326 4.882 4.556 0.000 0.000 0.346 276 H C 0.402 175.682 175.328 -0.080 0.000 1.286 276 H CA -0.438 55.464 56.048 -0.243 0.000 1.120 276 H CB 1.924 31.528 29.762 -0.263 0.000 1.860 276 H HN -0.003 nan 8.280 nan 0.000 0.542 277 M N 2.059 121.565 119.600 -0.155 0.000 2.200 277 M HA -0.069 4.411 4.480 0.000 0.000 0.265 277 M C 1.779 178.118 176.300 0.065 0.000 1.066 277 M CA 1.596 56.876 55.300 -0.033 0.000 1.127 277 M CB -0.281 32.233 32.600 -0.142 0.000 1.379 277 M HN 0.527 nan 8.290 nan 0.000 0.420 278 V N -3.937 116.048 119.914 0.119 0.000 3.371 278 V HA 0.490 4.611 4.120 0.000 0.000 0.246 278 V C 0.958 176.899 176.094 -0.255 0.000 1.303 278 V CA -0.005 62.019 62.300 -0.460 0.000 1.156 278 V CB -0.686 30.520 31.823 -1.028 0.000 0.929 278 V HN 0.120 nan 8.190 nan 0.000 0.459 279 A N 2.943 125.663 122.820 -0.167 0.000 2.366 279 A HA 0.780 5.100 4.320 0.000 0.000 0.272 279 A C -2.416 175.264 177.584 0.160 0.000 1.135 279 A CA -1.264 50.689 52.037 -0.139 0.000 0.804 279 A CB -0.216 18.512 19.000 -0.454 0.000 1.064 279 A HN 0.438 nan 8.150 nan 0.000 0.499 280 P HA 0.341 nan 4.420 nan 0.000 0.274 280 P C -0.221 176.954 177.300 -0.209 0.000 1.246 280 P CA -0.233 62.864 63.100 -0.005 0.000 0.795 280 P CB 0.615 32.247 31.700 -0.113 0.000 1.006 281 A N 1.460 124.044 122.820 -0.394 0.000 2.492 281 A HA 0.369 4.689 4.320 0.000 0.000 0.254 281 A C 1.593 178.806 177.584 -0.617 0.000 1.091 281 A CA 0.398 51.915 52.037 -0.866 0.000 0.768 281 A CB -0.589 18.116 19.000 -0.493 0.000 1.028 281 A HN 0.584 nan 8.150 nan 0.000 0.498 282 A N 2.403 124.805 122.820 -0.697 0.000 1.902 282 A HA -0.150 4.170 4.320 0.000 0.000 0.217 282 A C 1.674 179.113 177.584 -0.242 0.000 1.181 282 A CA 1.980 53.809 52.037 -0.346 0.000 0.623 282 A CB -0.496 18.355 19.000 -0.249 0.000 0.818 282 A HN 0.925 nan 8.150 nan 0.000 0.443 283 D N -1.524 118.726 120.400 -0.251 0.000 2.269 283 D HA 0.127 4.767 4.640 0.000 0.000 0.208 283 D C 1.375 177.590 176.300 -0.143 0.000 0.963 283 D CA 1.287 55.193 54.000 -0.157 0.000 0.864 283 D CB -0.947 39.777 40.800 -0.126 0.000 0.936 283 D HN 0.903 nan 8.370 nan 0.000 0.505 284 G N -0.183 108.503 108.800 -0.191 0.000 2.175 284 G HA2 -0.345 3.616 3.960 0.000 0.000 0.265 284 G HA3 -0.345 3.616 3.960 0.000 0.000 0.265 284 G C 1.173 176.002 174.900 -0.119 0.000 0.979 284 G CA 0.673 45.667 45.100 -0.176 0.000 0.663 284 G HN 0.391 nan 8.290 nan 0.000 0.533 285 V N 0.372 120.227 119.914 -0.098 0.000 2.358 285 V HA -0.148 3.972 4.120 0.000 0.000 0.246 285 V C 2.908 178.977 176.094 -0.041 0.000 1.047 285 V CA 2.352 64.617 62.300 -0.058 0.000 1.035 285 V CB -0.400 31.395 31.823 -0.046 0.000 0.658 285 V HN 0.425 nan 8.190 nan 0.000 0.452 286 R N 0.458 120.928 120.500 -0.051 0.000 2.115 286 R HA 0.066 4.406 4.340 0.000 0.000 0.230 286 R C 2.301 178.599 176.300 -0.004 0.000 1.111 286 R CA 1.380 57.467 56.100 -0.022 0.000 0.976 286 R CB -1.205 29.084 30.300 -0.019 0.000 0.870 286 R HN 0.539 nan 8.270 nan 0.000 0.445 287 A N 0.420 123.213 122.820 -0.044 0.000 1.872 287 A HA 0.009 4.329 4.320 0.000 0.000 0.214 287 A C 2.377 180.010 177.584 0.081 0.000 1.187 287 A CA 1.563 53.608 52.037 0.014 0.000 0.614 287 A CB -0.992 17.851 19.000 -0.262 0.000 0.826 287 A HN 0.376 nan 8.150 nan 0.000 0.442 288 G N -0.520 108.292 108.800 0.021 0.000 2.448 288 G HA2 -0.220 3.740 3.960 0.000 0.000 0.219 288 G HA3 -0.220 3.740 3.960 0.000 0.000 0.219 288 G C 1.646 176.562 174.900 0.026 0.000 1.127 288 G CA 1.194 46.312 45.100 0.030 0.000 0.766 288 G HN 0.504 nan 8.290 nan 0.000 0.552 289 R N 1.262 121.774 120.500 0.019 0.000 2.092 289 R HA 0.147 4.487 4.340 0.000 0.000 0.231 289 R C 2.680 178.993 176.300 0.021 0.000 1.119 289 R CA 1.732 57.842 56.100 0.016 0.000 0.970 289 R CB -0.890 29.418 30.300 0.013 0.000 0.864 289 R HN 0.197 nan 8.270 nan 0.000 0.440 290 A N 0.602 123.447 122.820 0.041 0.000 1.883 290 A HA -0.202 4.118 4.320 0.000 0.000 0.217 290 A C 2.271 179.857 177.584 0.004 0.000 1.186 290 A CA 2.039 54.096 52.037 0.033 0.000 0.624 290 A CB -0.562 18.485 19.000 0.078 0.000 0.822 290 A HN 0.434 nan 8.150 nan 0.000 0.444 291 M N -0.806 118.807 119.600 0.022 0.000 2.080 291 M HA -0.147 4.334 4.480 0.000 0.000 0.260 291 M C 2.246 178.535 176.300 -0.019 0.000 1.068 291 M CA 2.114 57.413 55.300 -0.003 0.000 1.109 291 M CB -1.035 31.576 32.600 0.019 0.000 1.342 291 M HN 0.424 nan 8.290 nan 0.000 0.405 292 T N -0.105 114.445 114.554 -0.007 0.000 2.737 292 T HA -0.195 4.156 4.350 0.000 0.000 0.269 292 T C 1.818 176.508 174.700 -0.017 0.000 1.040 292 T CA 1.723 63.817 62.100 -0.011 0.000 1.142 292 T CB -0.353 68.514 68.868 -0.002 0.000 0.861 292 T HN 0.239 nan 8.240 nan 0.000 0.456 293 R N 1.744 122.234 120.500 -0.017 0.000 2.090 293 R HA -0.016 4.324 4.340 0.000 0.000 0.228 293 R C 2.575 178.845 176.300 -0.051 0.000 1.110 293 R CA 1.860 57.950 56.100 -0.016 0.000 0.973 293 R CB -0.851 29.444 30.300 -0.008 0.000 0.869 293 R HN 0.464 nan 8.270 nan 0.000 0.440 294 S N 0.097 115.741 115.700 -0.094 0.000 2.402 294 S HA -0.081 4.390 4.470 0.000 0.000 0.229 294 S C 1.970 176.481 174.600 -0.148 0.000 1.021 294 S CA 1.165 59.258 58.200 -0.178 0.000 0.974 294 S CB -0.459 62.617 63.200 -0.206 0.000 0.800 294 S HN 0.376 nan 8.310 nan 0.000 0.484 295 L N 0.819 121.988 121.223 -0.090 0.000 2.093 295 L HA -0.018 4.322 4.340 0.000 0.000 0.208 295 L C 2.903 179.749 176.870 -0.040 0.000 1.085 295 L CA 1.548 56.344 54.840 -0.074 0.000 0.755 295 L CB -0.799 41.226 42.059 -0.056 0.000 0.904 295 L HN 0.389 nan 8.230 nan 0.000 0.435 296 E N 0.715 120.909 120.200 -0.011 0.000 2.038 296 E HA -0.210 4.140 4.350 0.000 0.000 0.195 296 E C 2.320 178.977 176.600 0.095 0.000 1.000 296 E CA 1.226 57.646 56.400 0.033 0.000 0.803 296 E CB -0.168 29.558 29.700 0.044 0.000 0.750 296 E HN 0.424 nan 8.360 nan 0.000 0.448 297 L N 0.275 121.566 121.223 0.114 0.000 2.201 297 L HA -0.109 4.232 4.340 0.000 0.000 0.212 297 L C 2.424 179.443 176.870 0.248 0.000 1.105 297 L CA 0.685 55.694 54.840 0.282 0.000 0.775 297 L CB -0.354 41.801 42.059 0.161 0.000 0.913 297 L HN 0.145 nan 8.230 nan 0.000 0.440 298 A N -0.299 122.545 122.820 0.039 0.000 1.898 298 A HA 0.223 4.543 4.320 0.000 0.000 0.214 298 A C 1.906 179.513 177.584 0.037 0.000 1.183 298 A CA 1.258 53.295 52.037 0.000 0.000 0.622 298 A CB -0.402 18.529 19.000 -0.116 0.000 0.824 298 A HN 0.480 nan 8.150 nan 0.000 0.444 299 G N -1.992 106.814 108.800 0.009 0.000 2.148 299 G HA2 -0.137 3.823 3.960 0.000 0.000 0.203 299 G HA3 -0.137 3.823 3.960 0.000 0.000 0.203 299 G C 0.020 174.866 174.900 -0.089 0.000 0.993 299 G CA 0.132 45.224 45.100 -0.013 0.000 0.661 299 G HN 0.409 nan 8.290 nan 0.000 0.518 300 L N 1.455 122.596 121.223 -0.137 0.000 2.375 300 L HA 0.710 5.050 4.340 0.000 0.000 0.268 300 L C 1.171 177.964 176.870 -0.127 0.000 1.058 300 L CA -0.326 54.382 54.840 -0.220 0.000 0.803 300 L CB 1.627 43.500 42.059 -0.309 0.000 1.212 300 L HN 0.382 nan 8.230 nan 0.000 0.451 301 S N 0.116 115.746 115.700 -0.118 0.000 2.690 301 S HA 0.450 4.920 4.470 0.000 0.000 0.291 301 S C -2.135 172.437 174.600 -0.046 0.000 1.138 301 S CA -1.364 56.799 58.200 -0.061 0.000 1.013 301 S CB 1.648 64.825 63.200 -0.038 0.000 1.053 301 S HN 0.344 nan 8.310 nan 0.000 0.539 302 P HA -0.068 nan 4.420 nan 0.000 0.216 302 P C 1.442 178.748 177.300 0.010 0.000 1.150 302 P CA 1.932 65.028 63.100 -0.007 0.000 0.843 302 P CB -0.231 31.467 31.700 -0.002 0.000 0.787 303 A N -0.370 122.458 122.820 0.013 0.000 2.015 303 A HA -0.170 4.150 4.320 0.000 0.000 0.219 303 A C 1.791 179.412 177.584 0.062 0.000 1.163 303 A CA 1.615 53.673 52.037 0.034 0.000 0.646 303 A CB -1.197 17.820 19.000 0.029 0.000 0.806 303 A HN 0.084 nan 8.150 nan 0.000 0.448 304 D N -0.035 120.390 120.400 0.043 0.000 2.309 304 D HA -0.042 4.598 4.640 0.000 0.000 0.212 304 D C 0.292 176.718 176.300 0.210 0.000 0.968 304 D CA 0.535 54.594 54.000 0.098 0.000 0.882 304 D CB -0.127 40.595 40.800 -0.130 0.000 0.918 304 D HN 0.244 nan 8.370 nan 0.000 0.503 305 I N 2.114 122.762 120.570 0.129 0.000 2.347 305 I HA 0.007 4.178 4.170 0.000 0.000 0.294 305 I C 0.871 177.083 176.117 0.159 0.000 1.090 305 I CA -0.258 61.133 61.300 0.152 0.000 1.314 305 I CB 0.668 38.714 38.000 0.076 0.000 1.423 305 I HN -0.150 nan 8.210 nan 0.000 0.503 306 D N 3.968 124.501 120.400 0.221 0.000 2.367 306 D HA -0.000 4.640 4.640 0.000 0.000 0.207 306 D C 0.448 176.895 176.300 0.245 0.000 1.034 306 D CA 0.658 54.803 54.000 0.242 0.000 0.861 306 D CB 0.439 41.429 40.800 0.316 0.000 0.943 306 D HN 0.566 nan 8.370 nan 0.000 0.515 307 H N -0.270 118.830 119.070 0.049 0.000 2.954 307 H HA 0.438 4.995 4.556 0.000 0.000 0.361 307 H C -1.874 173.443 175.328 -0.019 0.000 1.122 307 H CA -0.649 55.356 56.048 -0.071 0.000 1.217 307 H CB 1.556 31.149 29.762 -0.281 0.000 1.776 307 H HN -0.342 nan 8.280 nan 0.000 0.533 308 V N 5.249 124.821 119.914 -0.570 0.000 2.443 308 V HA 0.240 4.360 4.120 0.000 0.000 0.293 308 V C -0.100 175.649 176.094 -0.576 0.000 1.021 308 V CA -1.055 60.956 62.300 -0.481 0.000 0.848 308 V CB 1.440 33.165 31.823 -0.164 0.000 0.998 308 V HN 0.816 nan 8.190 nan 0.000 0.424 309 N N 3.826 122.230 118.700 -0.493 0.000 2.401 309 N HA 0.339 5.079 4.740 0.000 0.000 0.255 309 N C 0.013 175.477 175.510 -0.076 0.000 1.110 309 N CA -0.017 52.938 53.050 -0.159 0.000 0.949 309 N CB 1.630 40.089 38.487 -0.047 0.000 1.110 309 N HN 0.848 nan 8.380 nan 0.000 0.490 310 A N 3.142 125.955 122.820 -0.011 0.000 2.363 310 A HA 0.109 4.429 4.320 0.000 0.000 0.270 310 A C 1.177 178.761 177.584 0.001 0.000 1.121 310 A CA -0.329 51.759 52.037 0.085 0.000 0.800 310 A CB 0.273 19.458 19.000 0.308 0.000 1.052 310 A HN 0.913 nan 8.150 nan 0.000 0.493 311 H N 2.963 121.996 119.070 -0.062 0.000 2.352 311 H HA -0.021 4.536 4.556 0.000 0.000 0.299 311 H C 1.607 176.836 175.328 -0.166 0.000 1.097 311 H CA 1.838 57.799 56.048 -0.145 0.000 1.311 311 H CB -0.282 29.414 29.762 -0.110 0.000 1.377 311 H HN 1.091 nan 8.280 nan 0.000 0.504 312 G N 0.625 109.384 108.800 -0.068 0.000 2.089 312 G HA2 -0.332 3.628 3.960 0.000 0.000 0.250 312 G HA3 -0.332 3.628 3.960 0.000 0.000 0.250 312 G C 1.100 175.759 174.900 -0.402 0.000 0.772 312 G CA 0.881 45.758 45.100 -0.373 0.000 1.141 312 G HN 0.747 nan 8.290 nan 0.000 0.356 313 T N -1.549 112.833 114.554 -0.287 0.000 3.007 313 T HA 0.287 4.638 4.350 0.000 0.000 0.270 313 T C 1.995 176.618 174.700 -0.130 0.000 1.107 313 T CA 1.479 63.428 62.100 -0.253 0.000 1.118 313 T CB -0.066 68.761 68.868 -0.070 0.000 0.889 313 T HN 2.316 nan 8.240 nan 0.000 0.506 314 A N 0.661 123.373 122.820 -0.180 0.000 3.250 314 A HA -0.127 4.194 4.320 0.000 0.000 0.256 314 A C 0.834 178.394 177.584 -0.040 0.000 1.231 314 A CA 0.902 52.860 52.037 -0.131 0.000 1.193 314 A CB -2.882 16.063 19.000 -0.092 0.000 1.149 314 A HN 1.250 nan 8.150 nan 0.000 0.930 315 T N -2.697 111.862 114.554 0.008 0.000 2.897 315 T HA 0.545 4.895 4.350 0.000 0.000 0.294 315 T C -1.108 173.605 174.700 0.022 0.000 1.004 315 T CA -1.090 61.039 62.100 0.049 0.000 1.106 315 T CB 1.236 70.178 68.868 0.123 0.000 0.949 315 T HN 0.033 nan 8.240 nan 0.000 0.520 316 P HA -0.095 nan 4.420 nan 0.000 0.216 316 P C 1.470 178.784 177.300 0.024 0.000 1.150 316 P CA 1.064 64.177 63.100 0.022 0.000 0.843 316 P CB -0.110 31.601 31.700 0.019 0.000 0.787 317 I N -5.486 115.099 120.570 0.024 0.000 3.708 317 I HA 0.290 4.460 4.170 0.000 0.000 0.302 317 I C 2.030 178.151 176.117 0.008 0.000 1.255 317 I CA 0.726 62.032 61.300 0.010 0.000 1.362 317 I CB -0.896 37.102 38.000 -0.002 0.000 1.100 317 I HN -0.209 nan 8.210 nan 0.000 0.434 318 G N 1.562 110.385 108.800 0.038 0.000 2.433 318 G HA2 -0.230 3.730 3.960 0.000 0.000 0.216 318 G HA3 -0.230 3.730 3.960 0.000 0.000 0.216 318 G C 1.052 175.974 174.900 0.037 0.000 1.186 318 G CA 1.356 46.488 45.100 0.054 0.000 0.779 318 G HN 0.362 nan 8.290 nan 0.000 0.543 319 D N 0.836 121.242 120.400 0.010 0.000 2.117 319 D HA 0.023 4.664 4.640 0.000 0.000 0.197 319 D C 2.793 179.195 176.300 0.170 0.000 0.987 319 D CA 1.201 55.202 54.000 0.002 0.000 0.829 319 D CB -0.427 40.285 40.800 -0.147 0.000 0.961 319 D HN 0.294 nan 8.370 nan 0.000 0.460 320 A N 0.828 123.706 122.820 0.097 0.000 1.902 320 A HA -0.065 4.255 4.320 0.000 0.000 0.217 320 A C 2.282 179.889 177.584 0.038 0.000 1.181 320 A CA 2.260 54.345 52.037 0.080 0.000 0.623 320 A CB -0.844 18.177 19.000 0.036 0.000 0.818 320 A HN 0.237 nan 8.150 nan 0.000 0.443 321 A N -0.461 122.350 122.820 -0.016 0.000 1.902 321 A HA -0.179 4.141 4.320 0.000 0.000 0.217 321 A C 2.038 179.572 177.584 -0.083 0.000 1.181 321 A CA 1.817 53.796 52.037 -0.096 0.000 0.623 321 A CB -0.552 18.341 19.000 -0.178 0.000 0.818 321 A HN 0.670 nan 8.150 nan 0.000 0.443 322 E N -0.153 120.044 120.200 -0.006 0.000 2.150 322 E HA -0.086 4.264 4.350 0.000 0.000 0.193 322 E C 2.071 178.751 176.600 0.132 0.000 0.985 322 E CA 0.893 57.342 56.400 0.082 0.000 0.814 322 E CB -0.248 29.629 29.700 0.294 0.000 0.752 322 E HN 0.541 nan 8.360 nan 0.000 0.466 323 A N 1.393 124.308 122.820 0.158 0.000 1.883 323 A HA -0.243 4.077 4.320 0.000 0.000 0.217 323 A C 1.979 179.570 177.584 0.012 0.000 1.186 323 A CA 1.733 53.805 52.037 0.058 0.000 0.624 323 A CB -0.677 18.357 19.000 0.056 0.000 0.822 323 A HN 0.268 nan 8.150 nan 0.000 0.444 324 N N 0.311 119.011 118.700 -0.001 0.000 2.120 324 N HA -0.115 4.626 4.740 0.000 0.000 0.188 324 N C 1.884 177.375 175.510 -0.033 0.000 1.024 324 N CA 1.579 54.612 53.050 -0.029 0.000 0.852 324 N CB -0.581 37.873 38.487 -0.055 0.000 1.003 324 N HN 0.480 nan 8.380 nan 0.000 0.424 325 A N 0.969 123.766 122.820 -0.038 0.000 1.902 325 A HA -0.067 4.253 4.320 0.000 0.000 0.217 325 A C 2.317 179.908 177.584 0.012 0.000 1.181 325 A CA 0.977 52.999 52.037 -0.026 0.000 0.623 325 A CB -0.638 18.339 19.000 -0.039 0.000 0.818 325 A HN 0.234 nan 8.150 nan 0.000 0.443 326 I N -0.940 119.645 120.570 0.026 0.000 2.252 326 I HA -0.243 3.927 4.170 0.000 0.000 0.245 326 I C 2.728 178.845 176.117 -0.000 0.000 1.102 326 I CA 1.133 62.445 61.300 0.019 0.000 1.385 326 I CB -0.360 37.646 38.000 0.010 0.000 1.064 326 I HN 0.257 nan 8.210 nan 0.000 0.414 327 R N 0.439 120.934 120.500 -0.009 0.000 2.094 327 R HA -0.166 4.174 4.340 0.000 0.000 0.239 327 R C 2.383 178.678 176.300 -0.009 0.000 1.137 327 R CA 1.757 57.850 56.100 -0.011 0.000 0.943 327 R CB -0.810 29.480 30.300 -0.015 0.000 0.850 327 R HN 0.200 nan 8.270 nan 0.000 0.433 328 V N 1.176 121.083 119.914 -0.011 0.000 2.250 328 V HA -0.301 3.819 4.120 0.000 0.000 0.250 328 V C 2.145 178.236 176.094 -0.005 0.000 1.060 328 V CA 2.146 64.439 62.300 -0.011 0.000 1.030 328 V CB -0.720 31.092 31.823 -0.018 0.000 0.643 328 V HN 0.493 nan 8.190 nan 0.000 0.445 329 A N -0.412 122.408 122.820 0.000 0.000 2.261 329 A HA 0.367 4.688 4.320 0.000 0.000 0.208 329 A C 1.794 179.378 177.584 0.000 0.000 1.223 329 A CA 0.826 52.864 52.037 0.002 0.000 0.833 329 A CB -1.124 17.881 19.000 0.009 0.000 0.830 329 A HN 1.378 nan 8.150 nan 0.000 0.483 330 G N -2.110 106.690 108.800 -0.001 0.000 2.341 330 G HA2 -0.303 3.658 3.960 0.000 0.000 0.292 330 G HA3 -0.303 3.658 3.960 0.000 0.000 0.292 330 G C 0.476 175.378 174.900 0.003 0.000 1.021 330 G CA 0.440 45.540 45.100 0.000 0.000 0.905 330 G HN 0.673 nan 8.290 nan 0.000 0.508 331 C N 0.172 119.474 119.300 0.002 0.000 3.243 331 C HA 0.216 4.676 4.460 0.000 0.000 0.286 331 C C 1.833 176.822 174.990 -0.002 0.000 1.373 331 C CA 0.109 59.130 59.018 0.005 0.000 1.749 331 C CB -0.005 27.737 27.740 0.003 0.000 2.313 331 C HN 0.738 nan 8.230 nan 0.000 0.644 332 D N 0.413 120.809 120.400 -0.008 0.000 2.390 332 D HA -0.115 4.525 4.640 0.000 0.000 0.235 332 D C 1.551 177.843 176.300 -0.014 0.000 1.040 332 D CA 0.750 54.737 54.000 -0.021 0.000 0.923 332 D CB -0.168 40.617 40.800 -0.026 0.000 0.886 332 D HN 0.409 nan 8.370 nan 0.000 0.532 333 Q N 0.120 119.923 119.800 0.004 0.000 2.402 333 Q HA 0.245 4.586 4.340 0.000 0.000 0.206 333 Q C 0.843 176.862 176.000 0.032 0.000 0.919 333 Q CA 0.134 55.948 55.803 0.017 0.000 0.923 333 Q CB 0.383 29.137 28.738 0.027 0.000 1.048 333 Q HN 0.397 nan 8.270 nan 0.000 0.515 334 A N 1.264 124.102 122.820 0.030 0.000 2.466 334 A HA 0.442 4.762 4.320 0.000 0.000 0.238 334 A C 0.107 177.719 177.584 0.047 0.000 1.074 334 A CA 0.273 52.341 52.037 0.051 0.000 0.774 334 A CB 0.178 19.196 19.000 0.030 0.000 1.015 334 A HN 0.249 nan 8.150 nan 0.000 0.498 335 A N 1.443 124.320 122.820 0.095 0.000 2.450 335 A HA 0.516 4.836 4.320 0.000 0.000 0.255 335 A C -0.068 177.587 177.584 0.117 0.000 1.096 335 A CA -0.174 51.917 52.037 0.091 0.000 0.778 335 A CB -0.015 19.047 19.000 0.104 0.000 1.031 335 A HN 1.031 nan 8.150 nan 0.000 0.494 336 V N 3.301 123.247 119.914 0.052 0.000 2.513 336 V HA 0.376 4.496 4.120 0.000 0.000 0.299 336 V C -0.889 175.303 176.094 0.164 0.000 1.035 336 V CA -0.410 61.918 62.300 0.047 0.000 0.889 336 V CB 1.410 33.181 31.823 -0.086 0.000 0.988 336 V HN 0.794 nan 8.190 nan 0.000 0.440 337 Y N 3.647 123.994 120.300 0.078 0.000 2.409 337 Y HA 0.750 5.300 4.550 0.000 0.000 0.343 337 Y C -0.039 175.909 175.900 0.079 0.000 0.973 337 Y CA -1.673 56.475 58.100 0.080 0.000 1.064 337 Y CB 1.894 40.446 38.460 0.153 0.000 1.207 337 Y HN 0.634 nan 8.280 nan 0.000 0.452 338 A N 8.962 131.616 122.820 -0.277 0.000 2.508 338 A HA 0.453 4.773 4.320 0.000 0.000 0.336 338 A C -2.314 174.831 177.584 -0.732 0.000 1.360 338 A CA -1.492 50.319 52.037 -0.378 0.000 0.841 338 A CB 0.370 19.312 19.000 -0.097 0.000 1.136 338 A HN 0.618 nan 8.150 nan 0.000 0.489 339 P HA -0.123 nan 4.420 nan 0.000 0.223 339 P C 0.922 178.028 177.300 -0.323 0.000 1.151 339 P CA 0.957 63.592 63.100 -0.776 0.000 0.787 339 P CB 0.262 31.665 31.700 -0.496 0.000 0.788 340 K N 0.575 120.786 120.400 -0.315 0.000 2.362 340 K HA -0.049 4.271 4.320 0.000 0.000 0.200 340 K C 2.249 178.765 176.600 -0.139 0.000 1.046 340 K CA 1.437 57.590 56.287 -0.224 0.000 0.952 340 K CB -0.365 31.946 32.500 -0.314 0.000 0.753 340 K HN 0.245 nan 8.250 nan 0.000 0.466 341 S N 0.633 116.248 115.700 -0.141 0.000 2.400 341 S HA -0.153 4.317 4.470 0.000 0.000 0.232 341 S C 2.002 176.589 174.600 -0.022 0.000 1.025 341 S CA 1.167 59.329 58.200 -0.063 0.000 0.993 341 S CB -0.061 63.120 63.200 -0.031 0.000 0.808 341 S HN 0.331 nan 8.310 nan 0.000 0.478 342 A N 0.013 122.824 122.820 -0.016 0.000 2.138 342 A HA 0.605 4.926 4.320 0.000 0.000 0.203 342 A C 1.846 179.445 177.584 0.025 0.000 1.286 342 A CA -0.100 51.950 52.037 0.023 0.000 0.929 342 A CB 0.065 19.101 19.000 0.061 0.000 0.975 342 A HN 0.430 nan 8.150 nan 0.000 0.480 343 L N -1.256 119.971 121.223 0.007 0.000 2.672 343 L HA 0.387 4.727 4.340 0.000 0.000 0.236 343 L C 1.301 178.187 176.870 0.026 0.000 1.092 343 L CA 0.483 55.339 54.840 0.026 0.000 0.887 343 L CB 0.296 42.372 42.059 0.029 0.000 1.168 343 L HN 0.581 nan 8.230 nan 0.000 0.502 344 G N 0.140 108.940 108.800 0.001 0.000 2.693 344 G HA2 -0.286 3.674 3.960 0.000 0.000 0.226 344 G HA3 -0.286 3.674 3.960 0.000 0.000 0.226 344 G C -0.820 174.112 174.900 0.054 0.000 1.354 344 G CA -0.524 44.601 45.100 0.041 0.000 0.873 344 G HN 0.241 nan 8.290 nan 0.000 0.562 345 H N 0.774 119.868 119.070 0.040 0.000 2.551 345 H HA 0.625 5.181 4.556 0.000 0.000 0.321 345 H C 1.327 176.688 175.328 0.055 0.000 1.028 345 H CA -0.090 55.924 56.048 -0.057 0.000 1.215 345 H CB 1.015 30.626 29.762 -0.251 0.000 1.414 345 H HN 0.744 nan 8.280 nan 0.000 0.480 346 S N 5.116 120.983 115.700 0.278 0.000 2.614 346 S HA 0.113 4.583 4.470 0.000 0.000 0.230 346 S C 1.334 175.973 174.600 0.065 0.000 0.952 346 S CA -0.301 57.989 58.200 0.150 0.000 0.949 346 S CB -0.110 63.153 63.200 0.105 0.000 0.786 346 S HN 0.561 nan 8.310 nan 0.000 0.478 347 I N 1.502 122.045 120.570 -0.044 0.000 4.901 347 I HA -0.341 3.829 4.170 0.000 0.000 0.038 347 I C 2.087 178.190 176.117 -0.023 0.000 0.635 347 I CA 1.944 63.119 61.300 -0.208 0.000 0.242 347 I CB -2.217 35.683 38.000 -0.167 0.000 0.338 347 I HN 0.439 nan 8.210 nan 0.000 0.150 348 G N -0.081 108.712 108.800 -0.010 0.000 2.650 348 G HA2 0.261 4.221 3.960 0.000 0.000 0.214 348 G HA3 0.261 4.221 3.960 0.000 0.000 0.214 348 G C 1.347 176.264 174.900 0.028 0.000 1.136 348 G CA 1.328 46.433 45.100 0.009 0.000 0.789 348 G HN 0.965 nan 8.290 nan 0.000 0.536 349 A N -0.345 122.499 122.820 0.041 0.000 2.115 349 A HA 0.386 4.706 4.320 0.000 0.000 0.211 349 A C 2.240 179.848 177.584 0.040 0.000 1.169 349 A CA 0.800 52.863 52.037 0.044 0.000 0.787 349 A CB -0.147 18.886 19.000 0.054 0.000 0.858 349 A HN 0.219 nan 8.150 nan 0.000 0.474 350 V N 0.235 120.178 119.914 0.049 0.000 2.515 350 V HA -0.114 4.006 4.120 0.000 0.000 0.250 350 V C 2.392 178.476 176.094 -0.016 0.000 1.058 350 V CA 2.222 64.531 62.300 0.015 0.000 1.064 350 V CB -0.626 31.202 31.823 0.009 0.000 0.675 350 V HN 0.528 nan 8.190 nan 0.000 0.461 351 G N -0.913 107.892 108.800 0.007 0.000 2.432 351 G HA2 -0.186 3.774 3.960 0.000 0.000 0.219 351 G HA3 -0.186 3.774 3.960 0.000 0.000 0.219 351 G C 1.696 176.598 174.900 0.003 0.000 1.135 351 G CA 0.996 46.095 45.100 -0.001 0.000 0.767 351 G HN 0.680 nan 8.290 nan 0.000 0.550 352 A N 0.442 123.271 122.820 0.015 0.000 1.854 352 A HA 0.184 4.505 4.320 0.000 0.000 0.214 352 A C 2.312 179.896 177.584 0.001 0.000 1.192 352 A CA 1.479 53.528 52.037 0.021 0.000 0.611 352 A CB -0.547 18.471 19.000 0.032 0.000 0.832 352 A HN 0.410 nan 8.150 nan 0.000 0.442 353 L N 0.568 121.792 121.223 0.002 0.000 1.978 353 L HA -0.253 4.087 4.340 0.000 0.000 0.218 353 L C 2.147 179.004 176.870 -0.022 0.000 1.075 353 L CA 2.804 57.642 54.840 -0.002 0.000 0.767 353 L CB -0.834 41.232 42.059 0.011 0.000 0.890 353 L HN 0.563 nan 8.230 nan 0.000 0.434 354 E N -1.141 119.041 120.200 -0.031 0.000 2.265 354 E HA -0.151 4.200 4.350 0.000 0.000 0.196 354 E C 2.043 178.599 176.600 -0.073 0.000 0.996 354 E CA 1.056 57.434 56.400 -0.037 0.000 0.832 354 E CB -0.116 29.544 29.700 -0.067 0.000 0.756 354 E HN 0.515 nan 8.360 nan 0.000 0.491 355 S N 0.174 115.822 115.700 -0.087 0.000 2.428 355 S HA -0.069 4.401 4.470 0.000 0.000 0.230 355 S C 2.094 176.490 174.600 -0.339 0.000 1.014 355 S CA 0.369 58.457 58.200 -0.186 0.000 0.957 355 S CB 0.119 63.319 63.200 -0.001 0.000 0.784 355 S HN 0.070 nan 8.310 nan 0.000 0.499 356 V N 2.323 122.119 119.914 -0.197 0.000 2.307 356 V HA -0.128 3.993 4.120 0.000 0.000 0.245 356 V C 2.153 178.074 176.094 -0.289 0.000 1.045 356 V CA 1.478 63.646 62.300 -0.219 0.000 1.024 356 V CB -0.666 31.083 31.823 -0.123 0.000 0.651 356 V HN 0.431 nan 8.190 nan 0.000 0.449 357 L N -0.357 120.760 121.223 -0.176 0.000 2.042 357 L HA -0.214 4.126 4.340 0.000 0.000 0.210 357 L C 2.606 179.350 176.870 -0.210 0.000 1.076 357 L CA 2.049 56.809 54.840 -0.132 0.000 0.749 357 L CB -1.196 40.968 42.059 0.176 0.000 0.893 357 L HN 0.352 nan 8.230 nan 0.000 0.432 358 T N -0.516 113.924 114.554 -0.190 0.000 2.720 358 T HA -0.162 4.189 4.350 0.000 0.000 0.268 358 T C 2.011 176.511 174.700 -0.333 0.000 1.037 358 T CA 1.358 63.342 62.100 -0.193 0.000 1.144 358 T CB -0.216 68.478 68.868 -0.289 0.000 0.864 358 T HN 0.071 nan 8.240 nan 0.000 0.444 359 V N 1.387 120.996 119.914 -0.509 0.000 2.407 359 V HA -0.088 4.032 4.120 0.000 0.000 0.248 359 V C 2.373 178.244 176.094 -0.371 0.000 1.055 359 V CA 1.430 63.476 62.300 -0.422 0.000 1.049 359 V CB -0.571 31.008 31.823 -0.407 0.000 0.662 359 V HN 0.464 nan 8.190 nan 0.000 0.455 360 L N -0.934 119.942 121.223 -0.578 0.000 2.156 360 L HA -0.097 4.244 4.340 0.000 0.000 0.208 360 L C 2.554 179.038 176.870 -0.643 0.000 1.095 360 L CA 1.407 55.729 54.840 -0.863 0.000 0.770 360 L CB -0.989 40.030 42.059 -1.735 0.000 0.914 360 L HN 0.282 nan 8.230 nan 0.000 0.439 361 T N 0.553 114.843 114.554 -0.440 0.000 2.708 361 T HA -0.132 4.218 4.350 0.000 0.000 0.266 361 T C 1.994 176.701 174.700 0.013 0.000 1.037 361 T CA 1.315 63.386 62.100 -0.048 0.000 1.146 361 T CB -0.179 68.592 68.868 -0.162 0.000 0.865 361 T HN 0.183 nan 8.240 nan 0.000 0.435 362 L N 0.299 121.500 121.223 -0.036 0.000 2.056 362 L HA -0.035 4.306 4.340 0.000 0.000 0.207 362 L C 2.886 179.775 176.870 0.031 0.000 1.078 362 L CA 1.260 56.128 54.840 0.046 0.000 0.749 362 L CB -0.459 41.619 42.059 0.033 0.000 0.901 362 L HN 0.149 nan 8.230 nan 0.000 0.433 363 R N 0.229 120.710 120.500 -0.033 0.000 2.062 363 R HA -0.160 4.180 4.340 0.000 0.000 0.231 363 R C 1.167 177.480 176.300 0.022 0.000 1.136 363 R CA 1.872 57.958 56.100 -0.023 0.000 0.948 363 R CB -0.022 30.221 30.300 -0.094 0.000 0.845 363 R HN 0.280 nan 8.270 nan 0.000 0.430 364 D N -0.917 119.513 120.400 0.050 0.000 2.339 364 D HA 0.119 4.760 4.640 0.000 0.000 0.217 364 D C 0.344 176.735 176.300 0.152 0.000 1.050 364 D CA 0.792 54.879 54.000 0.144 0.000 0.856 364 D CB 0.539 41.520 40.800 0.302 0.000 0.922 364 D HN 0.505 nan 8.370 nan 0.000 0.518 365 G N 1.072 109.949 108.800 0.128 0.000 2.371 365 G HA2 -0.166 3.794 3.960 0.000 0.000 0.299 365 G HA3 -0.166 3.794 3.960 0.000 0.000 0.299 365 G C -0.011 174.937 174.900 0.081 0.000 1.014 365 G CA 0.724 45.876 45.100 0.088 0.000 1.097 365 G HN 0.422 nan 8.290 nan 0.000 0.512 366 V N 0.119 120.141 119.914 0.180 0.000 3.098 366 V HA 0.709 4.829 4.120 0.000 0.000 0.294 366 V C -0.890 175.140 176.094 -0.107 0.000 1.351 366 V CA -1.146 61.095 62.300 -0.098 0.000 0.999 366 V CB 1.971 33.430 31.823 -0.607 0.000 1.104 366 V HN 0.456 nan 8.190 nan 0.000 0.438 367 I N 6.584 126.975 120.570 -0.299 0.000 2.406 367 I HA 0.511 4.681 4.170 0.000 0.000 0.290 367 I C -2.424 173.345 176.117 -0.580 0.000 0.999 367 I CA -2.132 58.876 61.300 -0.488 0.000 1.124 367 I CB 2.360 40.052 38.000 -0.513 0.000 1.289 367 I HN 0.472 nan 8.210 nan 0.000 0.441 368 P HA 0.136 nan 4.420 nan 0.000 0.272 368 P C -2.571 174.429 177.300 -0.499 0.000 1.240 368 P CA -1.285 61.388 63.100 -0.711 0.000 0.791 368 P CB -0.216 31.001 31.700 -0.805 0.000 0.978 369 P HA 0.047 nan 4.420 nan 0.000 0.282 369 P C -0.574 176.816 177.300 0.149 0.000 1.274 369 P CA 0.136 63.214 63.100 -0.037 0.000 0.770 369 P CB -0.060 31.626 31.700 -0.023 0.000 0.867 370 T N 5.363 120.050 114.554 0.221 0.000 2.765 370 T HA 0.108 4.459 4.350 0.000 0.000 0.284 370 T C 0.899 175.680 174.700 0.135 0.000 0.946 370 T CA 0.112 62.337 62.100 0.207 0.000 1.185 370 T CB -0.404 68.520 68.868 0.092 0.000 0.887 370 T HN 0.198 nan 8.240 nan 0.000 0.532 371 L N 3.898 125.190 121.223 0.116 0.000 2.473 371 L HA 0.166 4.507 4.340 0.000 0.000 0.268 371 L C 1.089 178.030 176.870 0.117 0.000 1.215 371 L CA -0.540 54.358 54.840 0.097 0.000 0.823 371 L CB 0.077 42.175 42.059 0.065 0.000 1.099 371 L HN 0.715 nan 8.230 nan 0.000 0.483 372 N N 0.027 118.791 118.700 0.108 0.000 2.741 372 N HA -0.287 4.454 4.740 0.000 0.000 0.250 372 N C -0.627 174.973 175.510 0.150 0.000 1.115 372 N CA 0.843 53.951 53.050 0.097 0.000 0.724 372 N CB -1.480 37.043 38.487 0.059 0.000 1.090 372 N HN 0.585 nan 8.380 nan 0.000 0.558 373 Y N 1.044 121.372 120.300 0.047 0.000 2.907 373 Y HA 0.298 4.848 4.550 0.000 0.000 0.332 373 Y C 1.185 177.113 175.900 0.048 0.000 1.211 373 Y CA -0.182 57.955 58.100 0.062 0.000 1.387 373 Y CB 0.152 38.663 38.460 0.086 0.000 1.396 373 Y HN 0.044 nan 8.280 nan 0.000 0.519 374 E N 0.872 120.997 120.200 -0.124 0.000 2.372 374 E HA 0.144 4.494 4.350 0.000 0.000 0.201 374 E C -0.165 176.333 176.600 -0.170 0.000 0.938 374 E CA 0.412 56.751 56.400 -0.102 0.000 0.944 374 E CB 0.823 30.503 29.700 -0.034 0.000 0.937 374 E HN 0.311 nan 8.360 nan 0.000 0.495 375 T N 2.720 117.140 114.554 -0.223 0.000 3.209 375 T HA 0.268 4.618 4.350 0.000 0.000 0.366 375 T C -2.785 171.763 174.700 -0.253 0.000 1.293 375 T CA -1.422 60.565 62.100 -0.189 0.000 1.417 375 T CB 1.263 70.071 68.868 -0.099 0.000 1.013 375 T HN -0.157 nan 8.240 nan 0.000 0.572 376 P HA 0.016 nan 4.420 nan 0.000 0.261 376 P C 0.178 177.419 177.300 -0.097 0.000 1.183 376 P CA -0.120 62.763 63.100 -0.361 0.000 0.761 376 P CB 0.337 31.865 31.700 -0.287 0.000 0.785 377 D N 5.569 125.969 120.400 -0.001 0.000 2.570 377 D HA -0.079 4.562 4.640 0.000 0.000 0.243 377 D C -1.265 175.055 176.300 0.033 0.000 1.171 377 D CA -1.017 53.007 54.000 0.041 0.000 0.879 377 D CB 0.392 41.257 40.800 0.108 0.000 1.143 377 D HN 0.215 nan 8.370 nan 0.000 0.511 378 P HA -0.099 nan 4.420 nan 0.000 0.220 378 P C 0.968 178.280 177.300 0.019 0.000 1.148 378 P CA 0.543 63.650 63.100 0.012 0.000 0.803 378 P CB 0.370 32.072 31.700 0.004 0.000 0.782 379 E N -1.011 119.205 120.200 0.027 0.000 2.347 379 E HA -0.012 4.339 4.350 0.000 0.000 0.196 379 E C 1.706 178.325 176.600 0.031 0.000 1.008 379 E CA 0.511 56.926 56.400 0.026 0.000 0.852 379 E CB -0.398 29.319 29.700 0.028 0.000 0.783 379 E HN 0.272 nan 8.360 nan 0.000 0.505 380 I N -0.508 120.088 120.570 0.044 0.000 2.834 380 I HA -0.061 4.109 4.170 0.000 0.000 0.239 380 I C 0.085 176.202 176.117 -0.001 0.000 1.073 380 I CA 0.327 61.653 61.300 0.043 0.000 1.459 380 I CB 0.272 38.337 38.000 0.109 0.000 1.288 380 I HN -0.060 nan 8.210 nan 0.000 0.455 381 D N 1.922 122.327 120.400 0.008 0.000 3.187 381 D HA -0.154 4.487 4.640 0.000 0.000 0.244 381 D C -1.158 175.109 176.300 -0.055 0.000 1.114 381 D CA 0.509 54.506 54.000 -0.004 0.000 0.920 381 D CB -0.946 39.855 40.800 0.000 0.000 0.970 381 D HN 0.091 nan 8.370 nan 0.000 0.418 382 L N 1.738 122.899 121.223 -0.102 0.000 2.385 382 L HA 0.350 4.690 4.340 0.000 0.000 0.273 382 L C 0.509 177.302 176.870 -0.129 0.000 0.990 382 L CA -1.167 53.567 54.840 -0.177 0.000 0.821 382 L CB 1.724 43.535 42.059 -0.414 0.000 1.279 382 L HN -0.008 nan 8.230 nan 0.000 0.412 383 D N 2.681 123.030 120.400 -0.085 0.000 2.619 383 D HA 0.031 4.671 4.640 0.000 0.000 0.238 383 D C -0.388 175.849 176.300 -0.105 0.000 1.158 383 D CA 0.203 54.170 54.000 -0.054 0.000 1.251 383 D CB 0.077 40.868 40.800 -0.014 0.000 1.134 383 D HN 0.053 nan 8.370 nan 0.000 0.487 384 V N 3.774 123.566 119.914 -0.203 0.000 2.455 384 V HA 0.047 4.168 4.120 0.000 0.000 0.273 384 V C 0.631 176.581 176.094 -0.241 0.000 1.045 384 V CA -0.799 61.312 62.300 -0.316 0.000 0.976 384 V CB 1.536 32.923 31.823 -0.727 0.000 0.993 384 V HN 0.153 nan 8.190 nan 0.000 0.475 385 V N 5.934 125.786 119.914 -0.103 0.000 2.450 385 V HA 0.513 4.633 4.120 0.000 0.000 0.281 385 V C 0.601 176.659 176.094 -0.061 0.000 1.019 385 V CA 0.537 62.800 62.300 -0.061 0.000 1.062 385 V CB 0.274 32.065 31.823 -0.053 0.000 0.979 385 V HN 1.043 nan 8.190 nan 0.000 0.477 386 A N 3.861 126.659 122.820 -0.035 0.000 2.594 386 A HA 0.895 5.215 4.320 0.000 0.000 0.291 386 A C 0.796 178.412 177.584 0.053 0.000 1.105 386 A CA 0.145 52.198 52.037 0.027 0.000 0.694 386 A CB 1.643 20.700 19.000 0.094 0.000 1.291 386 A HN 1.655 nan 8.150 nan 0.000 0.410 387 G N -0.124 108.713 108.800 0.062 0.000 4.165 387 G HA2 -0.168 3.792 3.960 0.000 0.000 0.211 387 G HA3 -0.168 3.792 3.960 0.000 0.000 0.211 387 G C 0.246 175.159 174.900 0.022 0.000 1.469 387 G CA 0.754 45.885 45.100 0.050 0.000 0.964 387 G HN 1.138 nan 8.290 nan 0.000 0.613 388 E N 1.427 121.632 120.200 0.009 0.000 2.367 388 E HA 0.552 4.902 4.350 0.000 0.000 0.273 388 E C -2.686 173.888 176.600 -0.043 0.000 0.903 388 E CA -2.209 54.188 56.400 -0.005 0.000 0.764 388 E CB 2.837 32.551 29.700 0.022 0.000 1.252 388 E HN 0.206 nan 8.360 nan 0.000 0.446 389 P HA -0.011 nan 4.420 nan 0.000 0.266 389 P C -1.031 176.190 177.300 -0.132 0.000 1.195 389 P CA 0.203 63.184 63.100 -0.198 0.000 0.768 389 P CB 0.473 32.001 31.700 -0.286 0.000 0.838 390 R N 3.121 123.514 120.500 -0.178 0.000 2.295 390 R HA 0.313 4.653 4.340 0.000 0.000 0.324 390 R C -0.840 175.402 176.300 -0.096 0.000 0.968 390 R CA -0.642 55.434 56.100 -0.039 0.000 0.837 390 R CB 0.364 30.679 30.300 0.024 0.000 1.133 390 R HN 0.399 nan 8.270 nan 0.000 0.450 391 Y N 2.375 122.678 120.300 0.005 0.000 2.327 391 Y HA 0.545 5.095 4.550 0.000 0.000 0.336 391 Y C 0.940 176.765 175.900 -0.124 0.000 1.035 391 Y CA 0.178 58.255 58.100 -0.037 0.000 1.165 391 Y CB 2.154 40.585 38.460 -0.049 0.000 1.181 391 Y HN 0.795 nan 8.280 nan 0.000 0.494 392 G N 1.514 110.160 108.800 -0.257 0.000 2.623 392 G HA2 0.209 4.169 3.960 0.000 0.000 0.290 392 G HA3 0.209 4.169 3.960 0.000 0.000 0.290 392 G C -1.890 172.454 174.900 -0.927 0.000 1.437 392 G CA -0.856 43.925 45.100 -0.532 0.000 0.798 392 G HN 0.364 nan 8.290 nan 0.000 0.488 393 D N 0.436 120.473 120.400 -0.605 0.000 2.631 393 D HA 0.292 4.933 4.640 0.000 0.000 0.227 393 D C -0.508 175.589 176.300 -0.338 0.000 1.146 393 D CA -0.445 53.311 54.000 -0.406 0.000 1.009 393 D CB -0.414 40.272 40.800 -0.191 0.000 1.057 393 D HN 0.206 nan 8.370 nan 0.000 0.509 394 Y N 1.528 121.808 120.300 -0.034 0.000 2.587 394 Y HA 0.222 4.772 4.550 0.000 0.000 0.344 394 Y C 1.868 177.712 175.900 -0.092 0.000 1.061 394 Y CA -0.533 57.549 58.100 -0.030 0.000 1.370 394 Y CB 0.539 38.985 38.460 -0.023 0.000 1.163 394 Y HN 0.046 nan 8.280 nan 0.000 0.527 395 R N 2.016 122.482 120.500 -0.056 0.000 2.112 395 R HA 0.079 4.420 4.340 0.000 0.000 0.216 395 R C -0.741 175.174 176.300 -0.640 0.000 1.080 395 R CA 0.782 56.628 56.100 -0.424 0.000 0.996 395 R CB 0.254 30.194 30.300 -0.601 0.000 0.902 395 R HN 0.605 nan 8.270 nan 0.000 0.449 396 Y N -1.389 118.999 120.300 0.146 0.000 2.553 396 Y HA 0.628 5.179 4.550 0.000 0.000 0.347 396 Y C -0.456 175.532 175.900 0.147 0.000 1.019 396 Y CA -1.264 56.913 58.100 0.129 0.000 1.032 396 Y CB 2.095 40.607 38.460 0.085 0.000 1.284 396 Y HN -0.053 nan 8.280 nan 0.000 0.466 397 A N 0.851 123.851 122.820 0.300 0.000 2.589 397 A HA 0.799 5.119 4.320 0.000 0.000 0.296 397 A C -2.110 175.559 177.584 0.143 0.000 1.062 397 A CA -0.701 51.454 52.037 0.197 0.000 0.686 397 A CB 1.179 20.327 19.000 0.246 0.000 1.282 397 A HN 0.470 nan 8.150 nan 0.000 0.404 398 V N 1.703 121.634 119.914 0.029 0.000 2.555 398 V HA 0.527 4.648 4.120 0.000 0.000 0.302 398 V C -0.307 175.772 176.094 -0.025 0.000 1.038 398 V CA -0.723 61.585 62.300 0.014 0.000 0.887 398 V CB 1.927 33.738 31.823 -0.020 0.000 0.991 398 V HN 0.900 nan 8.190 nan 0.000 0.434 399 N N 3.658 122.377 118.700 0.031 0.000 2.446 399 N HA 0.371 5.111 4.740 0.000 0.000 0.265 399 N C -0.818 174.649 175.510 -0.071 0.000 0.975 399 N CA -0.388 52.659 53.050 -0.005 0.000 0.928 399 N CB 0.863 39.401 38.487 0.084 0.000 1.160 399 N HN 0.636 nan 8.380 nan 0.000 0.495 400 N N 1.380 120.002 118.700 -0.130 0.000 2.473 400 N HA 0.456 5.196 4.740 0.000 0.000 0.291 400 N C -1.200 174.022 175.510 -0.480 0.000 1.083 400 N CA -0.279 52.581 53.050 -0.316 0.000 0.951 400 N CB 1.527 39.865 38.487 -0.249 0.000 1.164 400 N HN 0.416 nan 8.380 nan 0.000 0.480 401 S N 1.012 116.220 115.700 -0.819 0.000 2.548 401 S HA 0.672 5.143 4.470 0.000 0.000 0.276 401 S C -1.340 172.563 174.600 -1.162 0.000 1.129 401 S CA -0.654 57.110 58.200 -0.726 0.000 0.931 401 S CB 0.819 63.880 63.200 -0.232 0.000 1.068 401 S HN 0.329 nan 8.310 nan 0.000 0.480 402 F N 0.574 120.074 119.950 -0.750 0.000 2.565 402 F HA 0.814 5.341 4.527 0.000 0.000 0.313 402 F C 0.583 176.251 175.800 -0.220 0.000 1.091 402 F CA -0.738 57.010 58.000 -0.420 0.000 0.915 402 F CB 2.148 40.906 39.000 -0.404 0.000 1.208 402 F HN 0.743 nan 8.300 nan 0.000 0.453 403 G N 1.256 110.182 108.800 0.208 0.000 2.620 403 G HA2 0.592 4.552 3.960 0.000 0.000 0.301 403 G HA3 0.592 4.552 3.960 0.000 0.000 0.301 403 G C -1.378 173.785 174.900 0.439 0.000 1.347 403 G CA -0.733 44.486 45.100 0.199 0.000 0.971 403 G HN 0.249 nan 8.290 nan 0.000 0.488 404 F N 0.684 120.770 119.950 0.227 0.000 2.635 404 F HA 0.327 4.854 4.527 0.000 0.000 0.379 404 F C 1.657 177.646 175.800 0.314 0.000 1.094 404 F CA 1.195 59.328 58.000 0.222 0.000 1.300 404 F CB 0.604 39.705 39.000 0.168 0.000 1.035 404 F HN 1.082 nan 8.300 nan 0.000 0.581 405 G N 0.703 109.733 108.800 0.384 0.000 2.184 405 G HA2 0.123 4.083 3.960 0.000 0.000 0.206 405 G HA3 0.123 4.083 3.960 0.000 0.000 0.206 405 G C 0.869 175.675 174.900 -0.157 0.000 0.995 405 G CA 0.196 45.405 45.100 0.181 0.000 0.651 405 G HN 1.872 nan 8.290 nan 0.000 0.511 406 G N -0.444 108.381 108.800 0.042 0.000 2.136 406 G HA2 -0.246 3.714 3.960 0.000 0.000 0.242 406 G HA3 -0.246 3.714 3.960 0.000 0.000 0.242 406 G C 0.129 175.000 174.900 -0.049 0.000 0.989 406 G CA 0.636 45.737 45.100 0.001 0.000 0.682 406 G HN 1.340 nan 8.290 nan 0.000 0.522 407 H N 0.851 120.012 119.070 0.151 0.000 2.722 407 H HA 0.333 4.889 4.556 0.000 0.000 0.328 407 H C -0.047 175.395 175.328 0.190 0.000 1.067 407 H CA 0.107 56.237 56.048 0.137 0.000 1.447 407 H CB 0.631 30.461 29.762 0.114 0.000 1.469 407 H HN 0.272 nan 8.280 nan 0.000 0.544 408 N N 2.727 121.596 118.700 0.283 0.000 2.346 408 N HA 0.272 5.013 4.740 0.000 0.000 0.289 408 N C -0.731 174.862 175.510 0.138 0.000 1.027 408 N CA -0.475 52.783 53.050 0.347 0.000 0.864 408 N CB 2.892 41.611 38.487 0.387 0.000 1.370 408 N HN 0.206 nan 8.380 nan 0.000 0.481 409 V N 0.346 120.247 119.914 -0.021 0.000 2.769 409 V HA 0.939 5.059 4.120 0.000 0.000 0.312 409 V C -0.416 175.590 176.094 -0.146 0.000 1.061 409 V CA -0.838 61.418 62.300 -0.074 0.000 0.931 409 V CB 1.838 33.613 31.823 -0.079 0.000 1.010 409 V HN 0.844 nan 8.190 nan 0.000 0.433 410 A N 4.199 126.951 122.820 -0.115 0.000 2.488 410 A HA 0.872 5.192 4.320 0.000 0.000 0.295 410 A C -1.532 175.961 177.584 -0.151 0.000 1.045 410 A CA -0.423 51.544 52.037 -0.117 0.000 0.703 410 A CB 1.317 20.275 19.000 -0.070 0.000 1.271 410 A HN 0.732 nan 8.150 nan 0.000 0.400 411 L N 1.907 123.051 121.223 -0.130 0.000 2.356 411 L HA 0.739 5.080 4.340 0.000 0.000 0.277 411 L C 0.421 177.148 176.870 -0.239 0.000 0.996 411 L CA -0.739 53.952 54.840 -0.248 0.000 0.822 411 L CB 2.107 44.078 42.059 -0.146 0.000 1.256 411 L HN 0.840 nan 8.230 nan 0.000 0.413 412 A N 3.622 126.186 122.820 -0.426 0.000 2.260 412 A HA 0.760 5.081 4.320 0.000 0.000 0.308 412 A C -1.029 176.302 177.584 -0.423 0.000 1.254 412 A CA -0.123 51.743 52.037 -0.285 0.000 0.874 412 A CB 0.040 18.887 19.000 -0.254 0.000 1.153 412 A HN 0.504 nan 8.150 nan 0.000 0.527 413 F N 1.229 121.163 119.950 -0.028 0.000 2.522 413 F HA 0.683 5.210 4.527 0.000 0.000 0.324 413 F C 0.872 176.740 175.800 0.113 0.000 1.077 413 F CA -0.152 57.857 58.000 0.015 0.000 0.944 413 F CB 2.675 41.678 39.000 0.004 0.000 1.175 413 F HN 0.701 nan 8.300 nan 0.000 0.468 414 G N 1.175 110.163 108.800 0.314 0.000 2.533 414 G HA2 0.552 4.512 3.960 0.000 0.000 0.304 414 G HA3 0.552 4.512 3.960 0.000 0.000 0.304 414 G C -1.666 173.333 174.900 0.164 0.000 1.263 414 G CA -1.013 44.244 45.100 0.261 0.000 0.964 414 G HN 0.625 nan 8.290 nan 0.000 0.479 415 R N -0.208 120.311 120.500 0.033 0.000 2.490 415 R HA 0.392 4.732 4.340 0.000 0.000 0.278 415 R C -0.933 175.421 176.300 0.091 0.000 1.069 415 R CA -0.481 55.645 56.100 0.043 0.000 1.080 415 R CB 0.659 30.936 30.300 -0.039 0.000 1.030 415 R HN 0.592 nan 8.270 nan 0.000 0.491 416 Y N 0.000 120.304 120.300 0.007 0.000 2.660 416 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 416 Y CA 0.000 58.109 58.100 0.015 0.000 1.940 416 Y CB 0.000 38.474 38.460 0.023 0.000 1.050 416 Y HN 0.000 nan 8.280 nan 0.000 0.758