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 1rvu_1_B DATA FIRST_RESID 15 DATA SEQUENCE WSSHEQMLAQ PLKDSDAEVY DIIKKESNRQ RVGLELIASE NFASRAVLEA DATA SEQUENCE LGSCLNNKYS QGYPGQRYYG GTEHIDELET LCQKRALQAY GLDPQCWGVN DATA SEQUENCE VQPYSGSPAN FAVYTALVEP HGRIMGLDLP DGGHLTHGFM TDKKKISATS DATA SEQUENCE IFFESMAYKV NPDTGYIDYD RLEENARLFH PKLIIAGTSC YSRNLDYGRL DATA SEQUENCE RKIADENGAY LMADMAHISG LVVAGVVPSP FEHCHVVTTT THKTLRGCRA DATA SEQUENCE GMIFYRRGVR SVDXXXXKEI LYNLESLINS AVFPGLQGGP HNHAIAGVAV DATA SEQUENCE ALKQAMTPEF KEYQRQVVAN CRALSAALVE LGYKIVTGGS DNHLILVDLR DATA SEQUENCE SKGTDGGRAE KVLEACSIAC NKNTCPGDKS ALRPSGLRLG TPALTSRGLL DATA SEQUENCE EKDFQKVAHF IHRGIELTVQ IQDDTGPRAT LKEFKEKLAG DEKHQRAVRA DATA SEQUENCE LRQEVESFAA LFPLPGLPGF 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 15 W HA 0.000 nan 4.660 nan 0.000 0.303 15 W C 0.000 176.552 176.519 0.055 0.000 1.175 15 W CA 0.000 57.366 57.345 0.035 0.000 1.226 15 W CB 0.000 29.463 29.460 0.006 0.000 1.126 16 S N 1.354 116.925 115.700 -0.214 0.000 2.377 16 S HA -0.100 4.370 4.470 0.000 0.000 0.223 16 S C 1.883 176.471 174.600 -0.020 0.000 1.030 16 S CA 2.183 60.371 58.200 -0.020 0.000 0.970 16 S CB -0.725 62.391 63.200 -0.140 0.000 0.830 16 S HN 0.407 nan 8.310 nan 0.000 0.473 17 S N 0.826 116.459 115.700 -0.111 0.000 2.547 17 S HA -0.109 4.361 4.470 0.000 0.000 0.235 17 S C 1.779 176.371 174.600 -0.012 0.000 0.980 17 S CA 0.778 58.935 58.200 -0.071 0.000 0.941 17 S CB -0.925 62.205 63.200 -0.116 0.000 0.763 17 S HN 0.762 nan 8.310 nan 0.000 0.532 18 H N 1.916 120.970 119.070 -0.027 0.000 2.319 18 H HA -0.103 4.453 4.556 0.000 0.000 0.297 18 H C 1.771 177.099 175.328 0.000 0.000 1.097 18 H CA 2.201 58.251 56.048 0.003 0.000 1.285 18 H CB -0.310 29.476 29.762 0.040 0.000 1.368 18 H HN 0.593 nan 8.280 nan 0.000 0.495 19 E N 0.048 120.290 120.200 0.070 0.000 2.150 19 E HA -0.182 4.168 4.350 0.000 0.000 0.193 19 E C 2.407 178.969 176.600 -0.065 0.000 0.985 19 E CA 0.698 57.104 56.400 0.010 0.000 0.814 19 E CB -0.008 29.742 29.700 0.084 0.000 0.752 19 E HN 0.608 nan 8.360 nan 0.000 0.466 20 Q N 0.574 120.340 119.800 -0.057 0.000 2.123 20 Q HA -0.132 4.208 4.340 0.000 0.000 0.199 20 Q C 2.222 178.167 176.000 -0.091 0.000 0.966 20 Q CA 0.869 56.634 55.803 -0.063 0.000 0.845 20 Q CB -0.003 28.702 28.738 -0.055 0.000 0.907 20 Q HN 0.249 nan 8.270 nan 0.000 0.439 21 M N 0.195 119.721 119.600 -0.123 0.000 2.108 21 M HA -0.204 4.276 4.480 0.000 0.000 0.261 21 M C 1.669 177.881 176.300 -0.147 0.000 1.066 21 M CA 1.475 56.694 55.300 -0.135 0.000 1.107 21 M CB -0.024 32.480 32.600 -0.161 0.000 1.356 21 M HN 0.321 nan 8.290 nan 0.000 0.406 22 L N -0.159 120.942 121.223 -0.203 0.000 2.275 22 L HA -0.102 4.238 4.340 0.000 0.000 0.215 22 L C 2.270 179.083 176.870 -0.096 0.000 1.119 22 L CA 0.895 55.640 54.840 -0.158 0.000 0.790 22 L CB -0.603 41.349 42.059 -0.178 0.000 0.919 22 L HN 0.453 nan 8.230 nan 0.000 0.443 23 A N -1.447 121.323 122.820 -0.083 0.000 2.303 23 A HA 0.016 4.336 4.320 0.000 0.000 0.217 23 A C 1.084 178.635 177.584 -0.054 0.000 1.205 23 A CA -0.230 51.772 52.037 -0.059 0.000 0.875 23 A CB -0.011 18.960 19.000 -0.048 0.000 0.910 23 A HN 0.331 nan 8.150 nan 0.000 0.501 24 Q N 1.510 121.274 119.800 -0.060 0.000 2.289 24 Q HA 0.241 4.581 4.340 0.000 0.000 0.273 24 Q C -2.370 173.602 176.000 -0.047 0.000 1.029 24 Q CA -1.726 54.044 55.803 -0.055 0.000 0.896 24 Q CB 0.458 29.160 28.738 -0.059 0.000 1.182 24 Q HN 0.182 nan 8.270 nan 0.000 0.385 25 P HA -0.125 nan 4.420 nan 0.000 0.269 25 P C 0.355 177.637 177.300 -0.029 0.000 1.217 25 P CA -0.257 62.821 63.100 -0.037 0.000 0.783 25 P CB 0.537 32.207 31.700 -0.050 0.000 0.898 26 L N 2.975 124.210 121.223 0.020 0.000 2.042 26 L HA -0.178 4.162 4.340 0.000 0.000 0.210 26 L C 2.114 178.982 176.870 -0.003 0.000 1.076 26 L CA 1.952 56.836 54.840 0.074 0.000 0.749 26 L CB -0.979 41.215 42.059 0.225 0.000 0.893 26 L HN 0.316 nan 8.230 nan 0.000 0.432 27 K N -0.839 119.450 120.400 -0.186 0.000 2.113 27 K HA -0.206 4.114 4.320 0.000 0.000 0.208 27 K C 1.500 177.906 176.600 -0.323 0.000 1.047 27 K CA 1.990 57.892 56.287 -0.642 0.000 0.928 27 K CB -0.123 31.859 32.500 -0.864 0.000 0.716 27 K HN 0.510 nan 8.250 nan 0.000 0.446 28 D N -0.746 119.545 120.400 -0.182 0.000 2.262 28 D HA -0.069 4.571 4.640 0.000 0.000 0.212 28 D C 1.883 178.140 176.300 -0.072 0.000 0.964 28 D CA 0.601 54.531 54.000 -0.116 0.000 0.875 28 D CB -0.029 40.715 40.800 -0.094 0.000 0.996 28 D HN 0.139 nan 8.370 nan 0.000 0.497 29 S N -0.062 115.605 115.700 -0.055 0.000 2.355 29 S HA -0.139 4.331 4.470 0.000 0.000 0.222 29 S C 0.620 175.212 174.600 -0.014 0.000 1.031 29 S CA 1.033 59.213 58.200 -0.033 0.000 0.993 29 S CB 0.131 63.316 63.200 -0.025 0.000 0.859 29 S HN 0.013 nan 8.310 nan 0.000 0.453 30 D N -0.236 120.169 120.400 0.008 0.000 2.405 30 D HA 0.542 5.182 4.640 0.000 0.000 0.264 30 D C 0.546 176.885 176.300 0.065 0.000 1.240 30 D CA 0.219 54.239 54.000 0.033 0.000 0.893 30 D CB 0.976 41.805 40.800 0.049 0.000 1.198 30 D HN 0.235 nan 8.370 nan 0.000 0.514 31 A N 2.542 125.385 122.820 0.038 0.000 1.940 31 A HA -0.196 4.124 4.320 0.000 0.000 0.219 31 A C 1.893 179.538 177.584 0.102 0.000 1.176 31 A CA 1.549 53.626 52.037 0.067 0.000 0.631 31 A CB -0.220 18.794 19.000 0.024 0.000 0.814 31 A HN 0.586 nan 8.150 nan 0.000 0.446 32 E N -0.492 119.745 120.200 0.061 0.000 2.051 32 E HA -0.127 4.223 4.350 0.000 0.000 0.192 32 E C 1.876 178.503 176.600 0.045 0.000 0.991 32 E CA 1.400 57.827 56.400 0.045 0.000 0.799 32 E CB -0.098 29.618 29.700 0.027 0.000 0.748 32 E HN 0.328 nan 8.360 nan 0.000 0.449 33 V N 0.426 120.376 119.914 0.060 0.000 2.358 33 V HA -0.230 3.890 4.120 0.000 0.000 0.246 33 V C 2.011 178.132 176.094 0.045 0.000 1.047 33 V CA 1.849 64.179 62.300 0.049 0.000 1.035 33 V CB -0.615 31.246 31.823 0.065 0.000 0.658 33 V HN 0.415 nan 8.190 nan 0.000 0.452 34 Y N 1.556 121.840 120.300 -0.026 0.000 2.128 34 Y HA -0.309 4.241 4.550 0.000 0.000 0.284 34 Y C 2.368 178.197 175.900 -0.119 0.000 1.154 34 Y CA 2.310 60.370 58.100 -0.067 0.000 1.149 34 Y CB -0.424 38.017 38.460 -0.032 0.000 0.976 34 Y HN 0.404 nan 8.280 nan 0.000 0.505 35 D N -0.092 120.299 120.400 -0.015 0.000 2.149 35 D HA -0.212 4.428 4.640 0.000 0.000 0.198 35 D C 2.151 178.355 176.300 -0.161 0.000 0.990 35 D CA 1.803 55.748 54.000 -0.091 0.000 0.839 35 D CB -0.379 40.425 40.800 0.006 0.000 0.948 35 D HN 0.510 nan 8.370 nan 0.000 0.460 36 I N 0.105 120.606 120.570 -0.115 0.000 2.179 36 I HA -0.250 3.920 4.170 0.000 0.000 0.242 36 I C 2.342 178.360 176.117 -0.164 0.000 1.088 36 I CA 0.765 62.002 61.300 -0.104 0.000 1.357 36 I CB -0.184 37.783 38.000 -0.056 0.000 1.051 36 I HN 0.112 nan 8.210 nan 0.000 0.409 37 I N 0.285 120.706 120.570 -0.247 0.000 2.179 37 I HA -0.297 3.873 4.170 0.000 0.000 0.242 37 I C 2.577 178.451 176.117 -0.405 0.000 1.088 37 I CA 1.164 62.269 61.300 -0.325 0.000 1.357 37 I CB -0.429 37.282 38.000 -0.482 0.000 1.051 37 I HN 0.160 nan 8.210 nan 0.000 0.409 38 K N 1.283 121.365 120.400 -0.531 0.000 2.032 38 K HA -0.176 4.144 4.320 0.000 0.000 0.209 38 K C 2.038 178.496 176.600 -0.236 0.000 1.048 38 K CA 1.558 57.582 56.287 -0.438 0.000 0.927 38 K CB -0.386 31.843 32.500 -0.452 0.000 0.712 38 K HN 0.348 nan 8.250 nan 0.000 0.441 39 K N 0.570 120.863 120.400 -0.179 0.000 2.057 39 K HA -0.186 4.135 4.320 0.000 0.000 0.207 39 K C 2.079 178.627 176.600 -0.086 0.000 1.049 39 K CA 1.342 57.565 56.287 -0.107 0.000 0.931 39 K CB -0.076 32.377 32.500 -0.078 0.000 0.714 39 K HN 0.055 nan 8.250 nan 0.000 0.440 40 E N 1.161 121.305 120.200 -0.094 0.000 2.051 40 E HA -0.174 4.176 4.350 0.000 0.000 0.192 40 E C 1.992 178.567 176.600 -0.042 0.000 0.991 40 E CA 1.703 58.071 56.400 -0.054 0.000 0.799 40 E CB -0.393 29.277 29.700 -0.050 0.000 0.748 40 E HN 0.097 nan 8.360 nan 0.000 0.449 41 S N -0.330 115.319 115.700 -0.085 0.000 2.370 41 S HA -0.242 4.228 4.470 0.000 0.000 0.226 41 S C 1.959 176.528 174.600 -0.051 0.000 1.033 41 S CA 1.766 59.927 58.200 -0.064 0.000 1.011 41 S CB -0.612 62.515 63.200 -0.121 0.000 0.852 41 S HN 0.457 nan 8.310 nan 0.000 0.457 42 N N 0.951 119.611 118.700 -0.067 0.000 2.188 42 N HA -0.047 4.693 4.740 0.000 0.000 0.184 42 N C 1.977 177.471 175.510 -0.027 0.000 1.018 42 N CA 1.228 54.248 53.050 -0.051 0.000 0.858 42 N CB -0.296 38.157 38.487 -0.057 0.000 0.989 42 N HN 0.428 nan 8.380 nan 0.000 0.426 43 R N 0.290 120.779 120.500 -0.017 0.000 2.073 43 R HA -0.111 4.229 4.340 0.000 0.000 0.234 43 R C 1.955 178.273 176.300 0.030 0.000 1.134 43 R CA 1.630 57.732 56.100 0.004 0.000 0.952 43 R CB -0.173 30.131 30.300 0.007 0.000 0.850 43 R HN 0.434 nan 8.270 nan 0.000 0.433 44 Q N -0.330 119.501 119.800 0.051 0.000 2.124 44 Q HA -0.185 4.155 4.340 0.000 0.000 0.202 44 Q C 2.234 178.262 176.000 0.046 0.000 0.977 44 Q CA 1.555 57.426 55.803 0.114 0.000 0.850 44 Q CB -0.120 28.734 28.738 0.194 0.000 0.901 44 Q HN 0.304 nan 8.270 nan 0.000 0.429 45 R N 0.565 121.055 120.500 -0.016 0.000 2.066 45 R HA -0.114 4.227 4.340 0.000 0.000 0.232 45 R C 2.055 178.343 176.300 -0.021 0.000 1.131 45 R CA 1.620 57.689 56.100 -0.051 0.000 0.955 45 R CB -0.002 30.263 30.300 -0.059 0.000 0.851 45 R HN 0.301 nan 8.270 nan 0.000 0.432 46 V N -1.967 117.942 119.914 -0.008 0.000 3.623 46 V HA 0.353 4.473 4.120 0.000 0.000 0.271 46 V C 0.660 176.761 176.094 0.012 0.000 1.248 46 V CA 0.367 62.666 62.300 -0.002 0.000 1.156 46 V CB 0.013 31.829 31.823 -0.010 0.000 0.870 46 V HN 0.253 nan 8.190 nan 0.000 0.453 47 G N 0.037 108.855 108.800 0.031 0.000 2.488 47 G HA2 0.643 4.603 3.960 0.000 0.000 0.318 47 G HA3 0.643 4.603 3.960 0.000 0.000 0.318 47 G C -1.004 173.935 174.900 0.064 0.000 1.188 47 G CA -1.000 44.126 45.100 0.043 0.000 0.944 47 G HN 0.275 nan 8.290 nan 0.000 0.495 48 L N 1.340 122.601 121.223 0.065 0.000 2.295 48 L HA 0.290 4.630 4.340 0.000 0.000 0.281 48 L C -0.230 176.698 176.870 0.097 0.000 1.018 48 L CA -0.713 54.173 54.840 0.078 0.000 0.841 48 L CB 1.509 43.620 42.059 0.087 0.000 1.218 48 L HN 0.331 nan 8.230 nan 0.000 0.424 49 E N 4.151 124.430 120.200 0.132 0.000 2.070 49 E HA 0.174 4.524 4.350 0.000 0.000 0.282 49 E C 0.209 176.884 176.600 0.124 0.000 1.104 49 E CA 0.141 56.617 56.400 0.126 0.000 0.876 49 E CB 1.238 31.025 29.700 0.145 0.000 1.055 49 E HN 0.522 nan 8.360 nan 0.000 0.401 50 L N 4.170 125.457 121.223 0.106 0.000 2.906 50 L HA 0.320 4.660 4.340 0.000 0.000 0.255 50 L C 0.564 177.485 176.870 0.086 0.000 1.166 50 L CA -0.110 54.801 54.840 0.119 0.000 0.977 50 L CB 0.466 42.596 42.059 0.119 0.000 1.313 50 L HN 0.398 nan 8.230 nan 0.000 0.549 51 I N 0.920 121.533 120.570 0.071 0.000 2.505 51 I HA -0.034 4.136 4.170 0.000 0.000 0.287 51 I C 1.680 177.852 176.117 0.092 0.000 1.104 51 I CA -0.020 61.319 61.300 0.066 0.000 1.387 51 I CB 1.377 39.408 38.000 0.052 0.000 1.404 51 I HN 0.171 nan 8.210 nan 0.000 0.528 52 A N 4.759 127.650 122.820 0.119 0.000 2.032 52 A HA -0.205 4.116 4.320 0.000 0.000 0.221 52 A C 2.135 179.893 177.584 0.291 0.000 1.165 52 A CA 2.226 54.386 52.037 0.204 0.000 0.645 52 A CB -0.472 18.622 19.000 0.157 0.000 0.807 52 A HN 0.811 nan 8.150 nan 0.000 0.453 53 S N -0.915 114.906 115.700 0.202 0.000 2.556 53 S HA 0.160 4.630 4.470 0.000 0.000 0.216 53 S C 0.285 174.892 174.600 0.012 0.000 0.970 53 S CA -0.392 57.831 58.200 0.038 0.000 0.912 53 S CB 0.118 63.334 63.200 0.028 0.000 0.790 53 S HN 0.491 nan 8.310 nan 0.000 0.504 54 E N 2.195 122.401 120.200 0.011 0.000 2.277 54 E HA 0.486 4.836 4.350 0.000 0.000 0.274 54 E C -0.435 176.072 176.600 -0.155 0.000 1.022 54 E CA -0.282 56.068 56.400 -0.083 0.000 0.853 54 E CB 0.908 30.537 29.700 -0.118 0.000 1.086 54 E HN 0.253 nan 8.360 nan 0.000 0.397 55 N N 0.617 119.139 118.700 -0.297 0.000 3.277 55 N HA 0.369 5.109 4.740 0.000 0.000 0.278 55 N C -1.814 173.352 175.510 -0.574 0.000 1.544 55 N CA -0.511 52.341 53.050 -0.330 0.000 0.869 55 N CB 0.980 39.445 38.487 -0.037 0.000 1.584 55 N HN 0.160 nan 8.380 nan 0.000 0.564 56 F N 1.002 120.991 119.950 0.065 0.000 2.507 56 F HA 0.659 5.186 4.527 0.000 0.000 0.328 56 F C 0.681 176.499 175.800 0.031 0.000 1.136 56 F CA -0.781 57.245 58.000 0.044 0.000 0.930 56 F CB 1.579 40.599 39.000 0.033 0.000 1.166 56 F HN 0.447 nan 8.300 nan 0.000 0.436 57 A N 2.058 124.991 122.820 0.188 0.000 2.388 57 A HA 0.532 4.852 4.320 0.000 0.000 0.257 57 A C 0.409 178.056 177.584 0.105 0.000 1.095 57 A CA -0.313 51.794 52.037 0.117 0.000 0.791 57 A CB 0.096 19.147 19.000 0.085 0.000 1.029 57 A HN 0.829 nan 8.150 nan 0.000 0.489 58 S N 1.579 117.317 115.700 0.065 0.000 2.593 58 S HA 0.175 4.645 4.470 0.000 0.000 0.269 58 S C 1.208 175.828 174.600 0.032 0.000 1.334 58 S CA 0.186 58.411 58.200 0.041 0.000 1.015 58 S CB 0.692 63.905 63.200 0.021 0.000 0.912 58 S HN 0.845 nan 8.310 nan 0.000 0.541 59 R N 1.096 121.608 120.500 0.021 0.000 2.091 59 R HA -0.144 4.196 4.340 0.000 0.000 0.238 59 R C 2.335 178.635 176.300 0.001 0.000 1.136 59 R CA 1.603 57.709 56.100 0.011 0.000 0.959 59 R CB -1.159 29.143 30.300 0.004 0.000 0.856 59 R HN 0.859 nan 8.270 nan 0.000 0.437 60 A N 0.368 123.187 122.820 -0.001 0.000 1.865 60 A HA -0.155 4.165 4.320 0.000 0.000 0.217 60 A C 2.303 179.884 177.584 -0.004 0.000 1.191 60 A CA 1.887 53.920 52.037 -0.006 0.000 0.623 60 A CB -0.800 18.195 19.000 -0.009 0.000 0.826 60 A HN 0.243 nan 8.150 nan 0.000 0.444 61 V N 0.148 120.064 119.914 0.003 0.000 2.287 61 V HA -0.277 3.843 4.120 0.000 0.000 0.248 61 V C 2.596 178.697 176.094 0.011 0.000 1.053 61 V CA 2.076 64.381 62.300 0.007 0.000 1.027 61 V CB -0.755 31.077 31.823 0.016 0.000 0.646 61 V HN 0.578 nan 8.190 nan 0.000 0.447 62 L N -0.407 120.824 121.223 0.014 0.000 2.083 62 L HA -0.196 4.144 4.340 0.000 0.000 0.209 62 L C 2.588 179.451 176.870 -0.012 0.000 1.083 62 L CA 1.637 56.482 54.840 0.009 0.000 0.752 62 L CB -0.696 41.371 42.059 0.013 0.000 0.899 62 L HN 0.433 nan 8.230 nan 0.000 0.433 63 E N 0.264 120.452 120.200 -0.020 0.000 2.110 63 E HA -0.209 4.141 4.350 0.000 0.000 0.193 63 E C 2.314 178.904 176.600 -0.017 0.000 0.988 63 E CA 1.082 57.462 56.400 -0.033 0.000 0.804 63 E CB -0.142 29.538 29.700 -0.033 0.000 0.745 63 E HN 0.511 nan 8.360 nan 0.000 0.458 64 A N 1.487 124.306 122.820 -0.001 0.000 1.940 64 A HA -0.164 4.156 4.320 0.000 0.000 0.219 64 A C 2.206 179.817 177.584 0.045 0.000 1.176 64 A CA 1.033 53.079 52.037 0.015 0.000 0.631 64 A CB -0.658 18.351 19.000 0.015 0.000 0.814 64 A HN 0.145 nan 8.150 nan 0.000 0.446 65 L N -0.827 120.429 121.223 0.055 0.000 2.191 65 L HA -0.125 4.215 4.340 0.000 0.000 0.212 65 L C 2.420 179.334 176.870 0.074 0.000 1.103 65 L CA 0.920 55.832 54.840 0.121 0.000 0.769 65 L CB -0.460 41.660 42.059 0.102 0.000 0.908 65 L HN 0.502 nan 8.230 nan 0.000 0.438 66 G N -0.774 108.027 108.800 0.001 0.000 3.042 66 G HA2 -0.011 3.950 3.960 0.000 0.000 0.212 66 G HA3 -0.011 3.950 3.960 0.000 0.000 0.212 66 G C 0.786 175.652 174.900 -0.056 0.000 1.166 66 G CA 0.337 45.408 45.100 -0.048 0.000 0.767 66 G HN 0.406 nan 8.290 nan 0.000 0.546 67 S N -0.558 115.126 115.700 -0.028 0.000 2.606 67 S HA 0.030 4.500 4.470 0.000 0.000 0.257 67 S C 1.812 176.381 174.600 -0.052 0.000 1.327 67 S CA 0.102 58.285 58.200 -0.029 0.000 0.984 67 S CB 0.757 63.956 63.200 -0.001 0.000 0.941 67 S HN 0.680 nan 8.310 nan 0.000 0.576 68 C N -0.013 119.263 119.300 -0.040 0.000 2.511 68 C HA 0.257 4.717 4.460 0.000 0.000 0.277 68 C C 2.047 177.017 174.990 -0.034 0.000 1.451 68 C CA -0.458 58.534 59.018 -0.043 0.000 1.735 68 C CB -2.202 25.524 27.740 -0.024 0.000 1.704 68 C HN 0.786 nan 8.230 nan 0.000 0.571 69 L N 1.399 122.613 121.223 -0.014 0.000 2.456 69 L HA -0.077 4.263 4.340 0.000 0.000 0.224 69 L C 2.422 179.289 176.870 -0.006 0.000 1.148 69 L CA 0.903 55.757 54.840 0.024 0.000 0.825 69 L CB -0.766 41.338 42.059 0.075 0.000 0.937 69 L HN 0.508 nan 8.230 nan 0.000 0.450 70 N N 0.673 119.285 118.700 -0.148 0.000 2.244 70 N HA -0.155 4.586 4.740 0.000 0.000 0.183 70 N C 1.323 176.712 175.510 -0.202 0.000 1.016 70 N CA 1.334 54.175 53.050 -0.350 0.000 0.866 70 N CB -0.195 37.999 38.487 -0.488 0.000 0.980 70 N HN 0.595 nan 8.380 nan 0.000 0.430 71 N N 0.518 119.149 118.700 -0.116 0.000 2.250 71 N HA -0.086 4.654 4.740 0.000 0.000 0.181 71 N C 0.623 176.117 175.510 -0.027 0.000 1.017 71 N CA 0.445 53.455 53.050 -0.067 0.000 0.866 71 N CB 0.089 38.556 38.487 -0.034 0.000 0.985 71 N HN -0.022 nan 8.380 nan 0.000 0.429 72 K N 1.065 121.461 120.400 -0.007 0.000 2.339 72 K HA 0.069 4.389 4.320 0.000 0.000 0.286 72 K C -1.420 175.197 176.600 0.029 0.000 1.050 72 K CA -0.098 56.215 56.287 0.043 0.000 0.956 72 K CB -0.056 32.477 32.500 0.056 0.000 0.990 72 K HN -0.012 nan 8.250 nan 0.000 0.475 73 Y N 2.314 122.660 120.300 0.078 0.000 2.336 73 Y HA 0.159 4.709 4.550 0.000 0.000 0.335 73 Y C 0.350 176.301 175.900 0.084 0.000 1.046 73 Y CA 0.454 58.614 58.100 0.100 0.000 1.198 73 Y CB 1.110 39.689 38.460 0.198 0.000 1.182 73 Y HN 0.711 nan 8.280 nan 0.000 0.502 74 S N 2.323 118.096 115.700 0.121 0.000 2.694 74 S HA 0.268 4.738 4.470 0.000 0.000 0.232 74 S C -0.860 173.568 174.600 -0.287 0.000 1.017 74 S CA -1.043 57.139 58.200 -0.030 0.000 1.139 74 S CB -0.351 62.827 63.200 -0.036 0.000 1.247 74 S HN 0.620 nan 8.310 nan 0.000 0.452 75 Q N 1.490 121.027 119.800 -0.438 0.000 2.333 75 Q HA 0.533 4.873 4.340 0.000 0.000 0.299 75 Q C 1.114 176.459 176.000 -1.092 0.000 1.067 75 Q CA 1.575 56.708 55.803 -1.115 0.000 0.943 75 Q CB -0.106 27.812 28.738 -1.366 0.000 1.233 75 Q HN 0.987 nan 8.270 nan 0.000 0.401 76 G N -0.068 107.885 108.800 -1.411 0.000 2.428 76 G HA2 -0.153 3.807 3.960 0.000 0.000 0.202 76 G HA3 -0.153 3.807 3.960 0.000 0.000 0.202 76 G C -1.506 172.890 174.900 -0.841 0.000 1.247 76 G CA -0.737 43.931 45.100 -0.721 0.000 1.020 76 G HN 0.492 nan 8.290 nan 0.000 0.529 77 Y N -0.581 119.684 120.300 -0.058 0.000 2.638 77 Y HA 0.555 5.105 4.550 0.000 0.000 0.339 77 Y C -1.503 174.389 175.900 -0.014 0.000 1.084 77 Y CA -1.248 56.831 58.100 -0.035 0.000 1.068 77 Y CB 1.753 40.213 38.460 0.001 0.000 1.294 77 Y HN 0.363 nan 8.280 nan 0.000 0.480 78 P HA -0.246 nan 4.420 nan 0.000 0.218 78 P C 1.323 178.675 177.300 0.086 0.000 1.154 78 P CA 2.865 66.021 63.100 0.094 0.000 0.872 78 P CB 0.047 31.798 31.700 0.086 0.000 0.790 79 G N -0.761 108.104 108.800 0.107 0.000 2.434 79 G HA2 -0.158 3.802 3.960 0.000 0.000 0.214 79 G HA3 -0.158 3.802 3.960 0.000 0.000 0.214 79 G C 0.500 175.455 174.900 0.091 0.000 1.202 79 G CA 0.522 45.674 45.100 0.087 0.000 0.788 79 G HN 0.326 nan 8.290 nan 0.000 0.539 80 Q N 0.585 120.460 119.800 0.125 0.000 2.339 80 Q HA 0.501 4.841 4.340 0.000 0.000 0.268 80 Q C -1.043 175.028 176.000 0.119 0.000 1.027 80 Q CA -0.772 55.105 55.803 0.124 0.000 0.759 80 Q CB 1.882 30.705 28.738 0.142 0.000 1.244 80 Q HN 0.132 nan 8.270 nan 0.000 0.464 81 R N 2.176 122.728 120.500 0.087 0.000 2.668 81 R HA 0.332 4.672 4.340 0.000 0.000 0.279 81 R C 0.332 176.715 176.300 0.139 0.000 0.976 81 R CA -0.760 55.363 56.100 0.038 0.000 0.978 81 R CB 0.488 30.793 30.300 0.008 0.000 1.133 81 R HN 0.570 nan 8.270 nan 0.000 0.484 82 Y N 0.237 120.401 120.300 -0.227 0.000 2.314 82 Y HA -0.047 4.503 4.550 0.000 0.000 0.293 82 Y C 0.396 176.159 175.900 -0.228 0.000 1.129 82 Y CA 0.690 58.600 58.100 -0.317 0.000 1.201 82 Y CB -0.091 37.990 38.460 -0.632 0.000 0.999 82 Y HN 0.389 nan 8.280 nan 0.000 0.541 83 Y N -1.677 118.722 120.300 0.164 0.000 2.659 83 Y HA 0.660 5.210 4.550 0.000 0.000 0.333 83 Y C 0.924 176.858 175.900 0.056 0.000 1.064 83 Y CA -1.948 56.205 58.100 0.087 0.000 1.141 83 Y CB 0.189 38.695 38.460 0.076 0.000 1.316 83 Y HN -0.214 nan 8.280 nan 0.000 0.509 84 G N -1.159 107.775 108.800 0.223 0.000 2.568 84 G HA2 0.449 4.409 3.960 0.000 0.000 0.293 84 G HA3 0.449 4.409 3.960 0.000 0.000 0.293 84 G C 0.524 175.477 174.900 0.088 0.000 1.347 84 G CA -0.602 44.566 45.100 0.113 0.000 1.039 84 G HN 1.408 nan 8.290 nan 0.000 0.523 85 G N -1.731 107.090 108.800 0.035 0.000 2.147 85 G HA2 -0.180 3.780 3.960 0.000 0.000 0.244 85 G HA3 -0.180 3.780 3.960 0.000 0.000 0.244 85 G C 0.856 175.751 174.900 -0.008 0.000 1.005 85 G CA 1.520 46.625 45.100 0.007 0.000 0.713 85 G HN 1.779 nan 8.290 nan 0.000 0.515 86 T N -2.661 111.888 114.554 -0.008 0.000 3.223 86 T HA 0.449 4.799 4.350 0.000 0.000 0.259 86 T C 1.306 175.965 174.700 -0.070 0.000 1.015 86 T CA 0.857 62.948 62.100 -0.014 0.000 0.908 86 T CB 0.721 69.599 68.868 0.017 0.000 1.054 86 T HN 0.488 nan 8.240 nan 0.000 0.567 87 E N 1.262 121.357 120.200 -0.175 0.000 2.049 87 E HA -0.292 4.058 4.350 0.000 0.000 0.198 87 E C 1.633 178.109 176.600 -0.207 0.000 1.007 87 E CA 1.746 57.996 56.400 -0.250 0.000 0.809 87 E CB -0.087 29.351 29.700 -0.436 0.000 0.749 87 E HN 0.701 nan 8.360 nan 0.000 0.450 88 H N -0.302 118.782 119.070 0.023 0.000 2.436 88 H HA -0.031 4.525 4.556 0.000 0.000 0.294 88 H C 2.253 177.592 175.328 0.019 0.000 1.048 88 H CA 0.766 56.825 56.048 0.018 0.000 1.353 88 H CB -0.059 29.712 29.762 0.016 0.000 1.414 88 H HN 0.247 nan 8.280 nan 0.000 0.536 89 I N 1.502 122.130 120.570 0.097 0.000 2.286 89 I HA -0.202 3.968 4.170 0.000 0.000 0.248 89 I C 1.643 177.788 176.117 0.047 0.000 1.115 89 I CA 1.054 62.393 61.300 0.064 0.000 1.392 89 I CB -0.707 37.317 38.000 0.040 0.000 1.065 89 I HN 0.131 nan 8.210 nan 0.000 0.418 90 D N 0.849 121.270 120.400 0.034 0.000 2.117 90 D HA -0.161 4.479 4.640 0.000 0.000 0.198 90 D C 2.072 178.398 176.300 0.044 0.000 0.982 90 D CA 1.005 55.025 54.000 0.034 0.000 0.828 90 D CB -0.117 40.696 40.800 0.022 0.000 0.967 90 D HN 0.469 nan 8.370 nan 0.000 0.464 91 E N 0.287 120.523 120.200 0.059 0.000 2.077 91 E HA -0.162 4.188 4.350 0.000 0.000 0.193 91 E C 2.081 178.710 176.600 0.049 0.000 0.989 91 E CA 0.377 56.815 56.400 0.062 0.000 0.800 91 E CB -0.060 29.697 29.700 0.095 0.000 0.746 91 E HN 0.114 nan 8.360 nan 0.000 0.452 92 L N 1.499 122.753 121.223 0.053 0.000 2.005 92 L HA -0.186 4.154 4.340 0.000 0.000 0.207 92 L C 2.341 179.226 176.870 0.026 0.000 1.072 92 L CA 2.015 56.877 54.840 0.037 0.000 0.744 92 L CB -0.362 41.723 42.059 0.042 0.000 0.895 92 L HN 0.042 nan 8.230 nan 0.000 0.433 93 E N -1.486 118.732 120.200 0.029 0.000 2.077 93 E HA -0.209 4.141 4.350 0.000 0.000 0.193 93 E C 1.897 178.511 176.600 0.024 0.000 0.989 93 E CA 1.667 58.082 56.400 0.025 0.000 0.800 93 E CB -0.076 29.646 29.700 0.036 0.000 0.746 93 E HN 0.556 nan 8.360 nan 0.000 0.452 94 T N 1.360 115.932 114.554 0.030 0.000 2.708 94 T HA -0.179 4.171 4.350 0.000 0.000 0.266 94 T C 1.757 176.466 174.700 0.014 0.000 1.037 94 T CA 1.258 63.373 62.100 0.025 0.000 1.146 94 T CB -0.305 68.581 68.868 0.030 0.000 0.865 94 T HN 0.142 nan 8.240 nan 0.000 0.435 95 L N 0.805 122.036 121.223 0.014 0.000 2.017 95 L HA -0.053 4.287 4.340 0.000 0.000 0.208 95 L C 2.693 179.562 176.870 -0.003 0.000 1.073 95 L CA 1.607 56.450 54.840 0.006 0.000 0.745 95 L CB -1.088 40.976 42.059 0.008 0.000 0.894 95 L HN 0.384 nan 8.230 nan 0.000 0.432 96 C N -0.289 119.009 119.300 -0.004 0.000 2.413 96 C HA -0.204 4.256 4.460 0.000 0.000 0.276 96 C C 2.769 177.745 174.990 -0.023 0.000 1.248 96 C CA 1.447 60.457 59.018 -0.013 0.000 1.742 96 C CB -0.884 26.848 27.740 -0.014 0.000 2.017 96 C HN 0.705 nan 8.230 nan 0.000 0.481 97 Q N 0.113 119.899 119.800 -0.025 0.000 2.079 97 Q HA -0.213 4.127 4.340 0.000 0.000 0.200 97 Q C 2.327 178.314 176.000 -0.021 0.000 0.974 97 Q CA 1.691 57.468 55.803 -0.043 0.000 0.840 97 Q CB -0.275 28.443 28.738 -0.033 0.000 0.898 97 Q HN 0.694 nan 8.270 nan 0.000 0.430 98 K N 1.120 121.515 120.400 -0.008 0.000 2.026 98 K HA -0.166 4.154 4.320 0.000 0.000 0.208 98 K C 2.062 178.659 176.600 -0.005 0.000 1.048 98 K CA 1.183 57.468 56.287 -0.003 0.000 0.929 98 K CB 0.076 32.575 32.500 -0.002 0.000 0.713 98 K HN 0.066 nan 8.250 nan 0.000 0.439 99 R N -0.116 120.378 120.500 -0.010 0.000 2.092 99 R HA -0.078 4.262 4.340 0.000 0.000 0.231 99 R C 2.396 178.701 176.300 0.007 0.000 1.119 99 R CA 1.074 57.162 56.100 -0.019 0.000 0.970 99 R CB -0.293 29.989 30.300 -0.030 0.000 0.864 99 R HN 0.251 nan 8.270 nan 0.000 0.440 100 A N 1.426 124.276 122.820 0.049 0.000 1.877 100 A HA -0.141 4.179 4.320 0.000 0.000 0.216 100 A C 2.181 179.944 177.584 0.298 0.000 1.186 100 A CA 1.204 53.356 52.037 0.191 0.000 0.620 100 A CB -0.575 18.463 19.000 0.063 0.000 0.822 100 A HN 0.167 nan 8.150 nan 0.000 0.443 101 L N -0.970 120.349 121.223 0.160 0.000 2.056 101 L HA -0.231 4.109 4.340 0.000 0.000 0.207 101 L C 2.908 179.761 176.870 -0.027 0.000 1.078 101 L CA 1.796 56.685 54.840 0.082 0.000 0.749 101 L CB -0.617 41.468 42.059 0.045 0.000 0.901 101 L HN 0.612 nan 8.230 nan 0.000 0.433 102 Q N 0.411 120.195 119.800 -0.028 0.000 2.020 102 Q HA -0.231 4.109 4.340 0.000 0.000 0.202 102 Q C 2.330 178.247 176.000 -0.137 0.000 0.982 102 Q CA 1.905 57.665 55.803 -0.072 0.000 0.838 102 Q CB -0.137 28.567 28.738 -0.057 0.000 0.899 102 Q HN 0.481 nan 8.270 nan 0.000 0.423 103 A N -0.311 122.409 122.820 -0.167 0.000 1.986 103 A HA -0.189 4.131 4.320 0.000 0.000 0.220 103 A C 1.101 178.348 177.584 -0.562 0.000 1.171 103 A CA 1.384 53.213 52.037 -0.345 0.000 0.640 103 A CB -0.635 18.125 19.000 -0.400 0.000 0.811 103 A HN 0.610 nan 8.150 nan 0.000 0.451 104 Y N -0.795 119.296 120.300 -0.347 0.000 2.524 104 Y HA 0.386 4.936 4.550 0.000 0.000 0.266 104 Y C 1.609 177.209 175.900 -0.499 0.000 1.180 104 Y CA -0.126 57.643 58.100 -0.552 0.000 1.244 104 Y CB -0.126 37.649 38.460 -1.143 0.000 1.125 104 Y HN 0.392 nan 8.280 nan 0.000 0.524 105 G N 1.424 110.081 108.800 -0.238 0.000 2.323 105 G HA2 -0.288 3.672 3.960 0.000 0.000 0.292 105 G HA3 -0.288 3.672 3.960 0.000 0.000 0.292 105 G C -0.264 174.526 174.900 -0.183 0.000 1.040 105 G CA 0.066 45.063 45.100 -0.171 0.000 0.942 105 G HN 0.321 nan 8.290 nan 0.000 0.506 106 L N 0.132 121.223 121.223 -0.220 0.000 2.295 106 L HA 0.414 4.754 4.340 0.000 0.000 0.285 106 L C 0.257 177.134 176.870 0.013 0.000 1.035 106 L CA -1.056 53.681 54.840 -0.173 0.000 0.806 106 L CB 1.437 43.254 42.059 -0.404 0.000 1.214 106 L HN 0.132 nan 8.230 nan 0.000 0.426 107 D N 5.800 126.272 120.400 0.119 0.000 2.343 107 D HA 0.092 4.732 4.640 0.000 0.000 0.255 107 D C -1.539 174.838 176.300 0.129 0.000 1.187 107 D CA -1.630 52.431 54.000 0.102 0.000 0.875 107 D CB 1.781 42.640 40.800 0.098 0.000 1.136 107 D HN 0.302 nan 8.370 nan 0.000 0.469 108 P HA -0.136 nan 4.420 nan 0.000 0.229 108 P C 0.705 178.043 177.300 0.063 0.000 1.150 108 P CA 0.906 64.050 63.100 0.074 0.000 0.765 108 P CB 0.380 32.106 31.700 0.044 0.000 0.783 109 Q N -1.806 118.029 119.800 0.059 0.000 2.384 109 Q HA 0.064 4.404 4.340 0.000 0.000 0.207 109 Q C 1.424 177.435 176.000 0.019 0.000 0.904 109 Q CA 0.551 56.378 55.803 0.040 0.000 0.933 109 Q CB 0.143 28.902 28.738 0.036 0.000 1.077 109 Q HN 0.305 nan 8.270 nan 0.000 0.522 110 C N -1.453 117.856 119.300 0.016 0.000 3.270 110 C HA 0.226 4.686 4.460 0.000 0.000 0.369 110 C C -0.066 174.695 174.990 -0.382 0.000 1.326 110 C CA -0.612 58.328 59.018 -0.131 0.000 1.846 110 C CB -0.029 27.671 27.740 -0.065 0.000 2.534 110 C HN 0.399 nan 8.230 nan 0.000 0.649 111 W N 0.310 121.582 121.300 -0.045 0.000 2.915 111 W HA 0.589 5.249 4.660 0.000 0.000 0.337 111 W C 0.156 176.560 176.519 -0.192 0.000 1.102 111 W CA -0.155 57.125 57.345 -0.108 0.000 1.224 111 W CB 1.087 30.501 29.460 -0.076 0.000 1.416 111 W HN 0.145 nan 8.180 nan 0.000 0.503 112 G N 0.393 109.052 108.800 -0.234 0.000 2.630 112 G HA2 0.709 4.669 3.960 0.000 0.000 0.296 112 G HA3 0.709 4.669 3.960 0.000 0.000 0.296 112 G C -2.064 172.249 174.900 -0.980 0.000 1.285 112 G CA -0.919 43.849 45.100 -0.552 0.000 0.958 112 G HN 0.586 nan 8.290 nan 0.000 0.479 113 V N 0.453 120.014 119.914 -0.588 0.000 2.891 113 V HA 0.592 4.712 4.120 0.000 0.000 0.304 113 V C -1.591 174.402 176.094 -0.168 0.000 1.171 113 V CA -1.132 60.865 62.300 -0.504 0.000 0.943 113 V CB 2.113 33.540 31.823 -0.661 0.000 1.037 113 V HN 0.770 nan 8.190 nan 0.000 0.427 114 N N 4.260 122.922 118.700 -0.064 0.000 2.425 114 N HA 0.358 5.098 4.740 0.000 0.000 0.268 114 N C 0.081 175.535 175.510 -0.094 0.000 0.991 114 N CA 0.061 53.111 53.050 -0.000 0.000 0.931 114 N CB 2.002 40.530 38.487 0.068 0.000 1.130 114 N HN 0.809 nan 8.380 nan 0.000 0.493 115 V N 1.411 121.290 119.914 -0.058 0.000 3.099 115 V HA 0.303 4.423 4.120 0.000 0.000 0.356 115 V C 0.930 176.993 176.094 -0.051 0.000 1.364 115 V CA 0.057 62.311 62.300 -0.078 0.000 1.229 115 V CB -0.000 31.780 31.823 -0.071 0.000 1.227 115 V HN 0.579 nan 8.190 nan 0.000 0.493 116 Q N 0.266 120.037 119.800 -0.048 0.000 2.352 116 Q HA 0.258 4.598 4.340 0.000 0.000 0.212 116 Q C -1.822 174.032 176.000 -0.243 0.000 0.888 116 Q CA -0.942 54.791 55.803 -0.117 0.000 0.934 116 Q CB -0.094 28.578 28.738 -0.111 0.000 1.093 116 Q HN 0.551 nan 8.270 nan 0.000 0.523 117 P HA -0.137 nan 4.420 nan 0.000 0.264 117 P C -0.401 176.798 177.300 -0.169 0.000 1.183 117 P CA 0.661 63.626 63.100 -0.225 0.000 0.763 117 P CB 0.282 31.923 31.700 -0.099 0.000 0.807 118 Y N 0.611 120.843 120.300 -0.113 0.000 2.439 118 Y HA 0.078 4.628 4.550 0.000 0.000 0.292 118 Y C 1.579 177.439 175.900 -0.066 0.000 1.130 118 Y CA 0.895 58.896 58.100 -0.165 0.000 1.254 118 Y CB -0.021 38.315 38.460 -0.207 0.000 1.000 118 Y HN 0.299 nan 8.280 nan 0.000 0.554 119 S N -2.816 112.959 115.700 0.126 0.000 2.694 119 S HA 0.468 4.938 4.470 0.000 0.000 0.273 119 S C 1.120 175.784 174.600 0.107 0.000 1.180 119 S CA -0.287 57.993 58.200 0.133 0.000 0.864 119 S CB 0.246 63.527 63.200 0.136 0.000 1.198 119 S HN 0.178 nan 8.310 nan 0.000 0.499 120 G N 1.346 110.223 108.800 0.128 0.000 2.433 120 G HA2 -0.101 3.859 3.960 0.000 0.000 0.216 120 G HA3 -0.101 3.859 3.960 0.000 0.000 0.216 120 G C 1.414 176.351 174.900 0.062 0.000 1.186 120 G CA 1.498 46.631 45.100 0.056 0.000 0.779 120 G HN 0.623 nan 8.290 nan 0.000 0.543 121 S N 1.809 117.574 115.700 0.109 0.000 2.368 121 S HA -0.071 4.399 4.470 0.000 0.000 0.225 121 S C 0.126 174.808 174.600 0.138 0.000 1.030 121 S CA 1.587 59.880 58.200 0.155 0.000 0.999 121 S CB -0.932 62.380 63.200 0.187 0.000 0.844 121 S HN 0.298 nan 8.310 nan 0.000 0.459 122 P HA 0.002 nan 4.420 nan 0.000 0.217 122 P C 1.469 178.801 177.300 0.053 0.000 1.150 122 P CA 1.338 64.492 63.100 0.091 0.000 0.832 122 P CB -0.104 31.639 31.700 0.071 0.000 0.787 123 A N -0.185 122.641 122.820 0.011 0.000 1.877 123 A HA -0.230 4.090 4.320 0.000 0.000 0.216 123 A C 2.132 179.654 177.584 -0.103 0.000 1.186 123 A CA 1.905 53.920 52.037 -0.036 0.000 0.620 123 A CB -1.468 17.516 19.000 -0.026 0.000 0.822 123 A HN 0.120 nan 8.150 nan 0.000 0.443 124 N N -0.886 117.742 118.700 -0.121 0.000 2.069 124 N HA -0.144 4.596 4.740 0.000 0.000 0.191 124 N C 1.424 176.450 175.510 -0.806 0.000 1.031 124 N CA 1.493 54.304 53.050 -0.399 0.000 0.852 124 N CB -0.670 37.717 38.487 -0.166 0.000 1.018 124 N HN 0.501 nan 8.380 nan 0.000 0.423 125 F N 1.574 121.271 119.950 -0.421 0.000 2.171 125 F HA -0.091 4.436 4.527 0.000 0.000 0.300 125 F C 2.201 177.912 175.800 -0.148 0.000 1.090 125 F CA 1.091 58.973 58.000 -0.197 0.000 1.293 125 F CB -0.246 38.801 39.000 0.078 0.000 1.013 125 F HN 0.039 nan 8.300 nan 0.000 0.486 126 A N -0.572 122.244 122.820 -0.007 0.000 1.902 126 A HA -0.138 4.182 4.320 0.000 0.000 0.217 126 A C 2.298 179.798 177.584 -0.141 0.000 1.181 126 A CA 1.898 53.916 52.037 -0.031 0.000 0.623 126 A CB -1.282 17.704 19.000 -0.023 0.000 0.818 126 A HN 0.221 nan 8.150 nan 0.000 0.443 127 V N -0.921 118.845 119.914 -0.247 0.000 2.295 127 V HA -0.267 3.853 4.120 0.000 0.000 0.246 127 V C 2.447 178.429 176.094 -0.187 0.000 1.049 127 V CA 1.919 64.084 62.300 -0.225 0.000 1.024 127 V CB -1.129 30.556 31.823 -0.230 0.000 0.648 127 V HN 0.646 nan 8.190 nan 0.000 0.447 128 Y N 0.984 121.104 120.300 -0.300 0.000 2.145 128 Y HA -0.199 4.351 4.550 0.000 0.000 0.286 128 Y C 2.855 178.535 175.900 -0.367 0.000 1.145 128 Y CA 1.372 59.124 58.100 -0.580 0.000 1.148 128 Y CB -1.918 35.841 38.460 -1.167 0.000 0.981 128 Y HN 0.211 nan 8.280 nan 0.000 0.507 129 T N 0.073 114.589 114.554 -0.063 0.000 2.803 129 T HA -0.168 4.182 4.350 0.000 0.000 0.269 129 T C 2.139 176.859 174.700 0.033 0.000 1.052 129 T CA 1.390 63.530 62.100 0.067 0.000 1.136 129 T CB -0.479 68.389 68.868 -0.001 0.000 0.864 129 T HN 0.448 nan 8.240 nan 0.000 0.467 130 A N 0.721 123.524 122.820 -0.030 0.000 1.878 130 A HA 0.252 4.572 4.320 0.000 0.000 0.213 130 A C 2.138 179.700 177.584 -0.037 0.000 1.192 130 A CA 0.708 52.717 52.037 -0.046 0.000 0.619 130 A CB -0.307 18.635 19.000 -0.097 0.000 0.837 130 A HN 0.466 nan 8.150 nan 0.000 0.446 131 L N -1.069 120.123 121.223 -0.051 0.000 2.408 131 L HA 0.073 4.413 4.340 0.000 0.000 0.215 131 L C 2.038 178.961 176.870 0.088 0.000 1.081 131 L CA 0.277 55.108 54.840 -0.016 0.000 0.840 131 L CB -0.100 41.861 42.059 -0.163 0.000 1.002 131 L HN 0.179 nan 8.230 nan 0.000 0.468 132 V N -1.144 118.803 119.914 0.055 0.000 2.492 132 V HA 0.078 4.198 4.120 0.000 0.000 0.241 132 V C 0.366 176.580 176.094 0.200 0.000 1.041 132 V CA 0.229 62.578 62.300 0.082 0.000 1.057 132 V CB -0.205 31.540 31.823 -0.129 0.000 0.711 132 V HN 0.442 nan 8.190 nan 0.000 0.468 133 E N -1.078 119.306 120.200 0.307 0.000 8.710 133 E HA -0.144 4.206 4.350 0.000 0.000 0.468 133 E C -2.674 174.093 176.600 0.278 0.000 1.162 133 E CA -0.269 56.292 56.400 0.268 0.000 2.026 133 E CB -1.103 28.680 29.700 0.137 0.000 1.008 133 E HN 0.290 nan 8.360 nan 0.000 0.263 134 P HA -0.150 nan 4.420 nan 0.000 0.259 134 P C -0.222 177.035 177.300 -0.071 0.000 1.163 134 P CA 1.027 63.983 63.100 -0.240 0.000 0.760 134 P CB 0.136 31.733 31.700 -0.171 0.000 0.762 135 H N -0.950 118.128 119.070 0.014 0.000 3.631 135 H HA -0.162 4.394 4.556 0.000 0.000 0.202 135 H C 1.017 176.431 175.328 0.143 0.000 1.029 135 H CA 1.232 57.330 56.048 0.082 0.000 1.208 135 H CB -1.998 27.786 29.762 0.037 0.000 1.124 135 H HN 0.634 nan 8.280 nan 0.000 0.329 136 G N 0.967 109.948 108.800 0.301 0.000 2.544 136 G HA2 0.306 4.266 3.960 0.000 0.000 0.242 136 G HA3 0.306 4.266 3.960 0.000 0.000 0.242 136 G C 0.357 175.364 174.900 0.178 0.000 1.247 136 G CA -0.491 44.736 45.100 0.212 0.000 0.840 136 G HN 0.201 nan 8.290 nan 0.000 0.578 137 R N 0.217 120.747 120.500 0.050 0.000 2.357 137 R HA 0.455 4.795 4.340 0.000 0.000 0.296 137 R C -0.255 176.125 176.300 0.134 0.000 1.052 137 R CA -0.144 55.980 56.100 0.039 0.000 0.988 137 R CB 1.119 31.168 30.300 -0.419 0.000 1.025 137 R HN 0.379 nan 8.270 nan 0.000 0.469 138 I N 3.173 123.895 120.570 0.254 0.000 2.582 138 I HA 0.364 4.534 4.170 0.000 0.000 0.292 138 I C -0.342 175.906 176.117 0.218 0.000 1.066 138 I CA -0.668 60.707 61.300 0.125 0.000 1.053 138 I CB 2.173 40.077 38.000 -0.159 0.000 1.241 138 I HN 0.379 nan 8.210 nan 0.000 0.421 139 M N 4.257 123.966 119.600 0.182 0.000 2.321 139 M HA 0.638 5.118 4.480 0.000 0.000 0.315 139 M C -0.185 176.224 176.300 0.182 0.000 1.052 139 M CA -0.397 55.007 55.300 0.174 0.000 0.936 139 M CB 2.289 35.032 32.600 0.239 0.000 1.639 139 M HN 0.764 nan 8.290 nan 0.000 0.433 140 G N 1.975 110.799 108.800 0.040 0.000 2.672 140 G HA2 0.604 4.564 3.960 0.000 0.000 0.292 140 G HA3 0.604 4.564 3.960 0.000 0.000 0.292 140 G C -1.919 172.539 174.900 -0.737 0.000 1.375 140 G CA -0.823 44.184 45.100 -0.155 0.000 0.890 140 G HN 0.602 nan 8.290 nan 0.000 0.476 141 L N 0.873 121.535 121.223 -0.935 0.000 2.540 141 L HA 0.245 4.585 4.340 0.000 0.000 0.276 141 L C 0.255 176.859 176.870 -0.444 0.000 1.212 141 L CA -0.385 53.875 54.840 -0.968 0.000 0.893 141 L CB 0.478 42.219 42.059 -0.530 0.000 1.138 141 L HN 0.491 nan 8.230 nan 0.000 0.491 142 D N 3.159 123.330 120.400 -0.382 0.000 2.458 142 D HA -0.019 4.621 4.640 0.000 0.000 0.243 142 D C 1.160 177.372 176.300 -0.146 0.000 1.146 142 D CA -0.040 53.844 54.000 -0.193 0.000 0.877 142 D CB 0.800 41.514 40.800 -0.143 0.000 1.176 142 D HN 0.532 nan 8.370 nan 0.000 0.461 143 L N 6.725 127.882 121.223 -0.111 0.000 1.978 143 L HA -0.160 4.180 4.340 0.000 0.000 0.218 143 L C -0.518 176.278 176.870 -0.124 0.000 1.075 143 L CA 1.916 56.670 54.840 -0.144 0.000 0.767 143 L CB -1.541 40.389 42.059 -0.215 0.000 0.890 143 L HN 0.630 nan 8.230 nan 0.000 0.434 144 P HA -0.134 nan 4.420 nan 0.000 0.225 144 P C 0.257 177.518 177.300 -0.065 0.000 1.148 144 P CA 1.300 64.357 63.100 -0.071 0.000 0.779 144 P CB -0.013 31.660 31.700 -0.046 0.000 0.780 145 D N -0.916 119.437 120.400 -0.078 0.000 2.325 145 D HA 0.226 4.866 4.640 0.000 0.000 0.225 145 D C 1.488 177.746 176.300 -0.070 0.000 1.096 145 D CA 0.526 54.485 54.000 -0.069 0.000 0.844 145 D CB -0.191 40.554 40.800 -0.092 0.000 0.925 145 D HN 0.198 nan 8.370 nan 0.000 0.513 146 G N -0.134 108.620 108.800 -0.076 0.000 2.148 146 G HA2 -0.133 3.827 3.960 0.000 0.000 0.203 146 G HA3 -0.133 3.827 3.960 0.000 0.000 0.203 146 G C 0.730 175.586 174.900 -0.074 0.000 0.993 146 G CA -0.247 44.817 45.100 -0.059 0.000 0.661 146 G HN 0.555 nan 8.290 nan 0.000 0.518 147 G N -0.957 107.782 108.800 -0.102 0.000 2.588 147 G HA2 0.559 4.519 3.960 0.000 0.000 0.281 147 G HA3 0.559 4.519 3.960 0.000 0.000 0.281 147 G C -0.395 174.458 174.900 -0.078 0.000 1.236 147 G CA -0.057 45.006 45.100 -0.061 0.000 0.969 147 G HN 0.673 nan 8.290 nan 0.000 0.504 148 H N -0.822 118.088 119.070 -0.267 0.000 2.499 148 H HA 0.405 4.961 4.556 0.000 0.000 0.340 148 H C 1.503 176.658 175.328 -0.287 0.000 1.148 148 H CA -0.840 54.974 56.048 -0.390 0.000 1.215 148 H CB 1.372 30.724 29.762 -0.685 0.000 1.529 148 H HN 0.213 nan 8.280 nan 0.000 0.510 149 L N 1.539 122.292 121.223 -0.783 0.000 2.021 149 L HA -0.246 4.094 4.340 0.000 0.000 0.215 149 L C 2.236 179.106 176.870 0.001 0.000 1.074 149 L CA 2.150 56.768 54.840 -0.370 0.000 0.760 149 L CB -0.717 41.107 42.059 -0.392 0.000 0.889 149 L HN 0.842 nan 8.230 nan 0.000 0.433 150 T N -4.793 109.853 114.554 0.152 0.000 3.098 150 T HA -0.179 4.171 4.350 0.000 0.000 0.266 150 T C 1.240 176.271 174.700 0.552 0.000 1.145 150 T CA 1.018 63.382 62.100 0.440 0.000 1.092 150 T CB -0.639 68.554 68.868 0.542 0.000 0.908 150 T HN 0.535 nan 8.240 nan 0.000 0.526 151 H N 0.658 119.897 119.070 0.281 0.000 2.551 151 H HA 0.481 5.037 4.556 0.000 0.000 0.271 151 H C 1.066 176.434 175.328 0.067 0.000 0.984 151 H CA -0.389 55.758 56.048 0.165 0.000 1.164 151 H CB 0.445 30.276 29.762 0.114 0.000 1.437 151 H HN 0.603 nan 8.280 nan 0.000 0.550 152 G N 1.053 109.990 108.800 0.229 0.000 2.634 152 G HA2 0.126 4.086 3.960 0.000 0.000 0.568 152 G HA3 0.126 4.086 3.960 0.000 0.000 0.568 152 G C -1.932 173.115 174.900 0.244 0.000 1.495 152 G CA -0.985 44.222 45.100 0.179 0.000 0.903 152 G HN 0.115 nan 8.290 nan 0.000 0.646 153 F N 4.345 124.312 119.950 0.028 0.000 2.991 153 F HA 0.753 5.280 4.527 0.000 0.000 0.355 153 F C -0.499 175.304 175.800 0.004 0.000 1.262 153 F CA -1.065 56.934 58.000 -0.001 0.000 1.127 153 F CB 1.195 40.187 39.000 -0.013 0.000 1.447 153 F HN 0.964 nan 8.300 nan 0.000 0.584 154 M N 3.718 123.181 119.600 -0.227 0.000 2.644 154 M HA 0.807 5.287 4.480 0.000 0.000 0.273 154 M C -1.267 174.893 176.300 -0.233 0.000 1.253 154 M CA -0.564 54.538 55.300 -0.329 0.000 0.852 154 M CB 2.370 34.888 32.600 -0.136 0.000 1.708 154 M HN 0.445 nan 8.290 nan 0.000 0.471 155 T N -3.346 111.083 114.554 -0.208 0.000 2.768 155 T HA 0.428 4.778 4.350 0.000 0.000 0.268 155 T C 0.408 175.063 174.700 -0.075 0.000 0.969 155 T CA 0.098 62.130 62.100 -0.114 0.000 1.008 155 T CB 0.860 69.660 68.868 -0.113 0.000 1.371 155 T HN 0.803 nan 8.240 nan 0.000 0.587 156 D N -0.522 119.849 120.400 -0.049 0.000 2.363 156 D HA 0.011 4.651 4.640 0.000 0.000 0.220 156 D C 1.087 177.366 176.300 -0.036 0.000 0.994 156 D CA 0.521 54.501 54.000 -0.033 0.000 0.890 156 D CB 0.042 40.829 40.800 -0.021 0.000 0.906 156 D HN 0.639 nan 8.370 nan 0.000 0.530 157 K N -0.777 119.593 120.400 -0.050 0.000 2.450 157 K HA 0.184 4.504 4.320 0.000 0.000 0.206 157 K C 0.436 176.998 176.600 -0.063 0.000 1.148 157 K CA -0.156 56.103 56.287 -0.047 0.000 1.014 157 K CB 1.520 33.996 32.500 -0.039 0.000 0.966 157 K HN -0.068 nan 8.250 nan 0.000 0.566 158 K N 1.251 121.596 120.400 -0.093 0.000 2.546 158 K HA 0.256 4.576 4.320 0.000 0.000 0.264 158 K C -1.718 174.782 176.600 -0.166 0.000 0.937 158 K CA -0.656 55.561 56.287 -0.116 0.000 0.833 158 K CB 1.760 34.188 32.500 -0.119 0.000 1.378 158 K HN -0.217 nan 8.250 nan 0.000 0.432 159 K N 3.928 124.239 120.400 -0.149 0.000 2.281 159 K HA 0.256 4.576 4.320 0.000 0.000 0.272 159 K C 0.329 176.816 176.600 -0.190 0.000 1.048 159 K CA -0.334 55.855 56.287 -0.163 0.000 0.898 159 K CB 1.008 33.444 32.500 -0.106 0.000 1.128 159 K HN 0.399 nan 8.250 nan 0.000 0.460 160 I N 0.675 121.067 120.570 -0.297 0.000 2.385 160 I HA -0.103 4.068 4.170 0.000 0.000 0.244 160 I C 1.220 177.331 176.117 -0.009 0.000 1.089 160 I CA 0.700 61.865 61.300 -0.225 0.000 1.410 160 I CB -0.032 37.670 38.000 -0.497 0.000 1.117 160 I HN 0.451 nan 8.210 nan 0.000 0.429 161 S N 0.854 116.611 115.700 0.095 0.000 2.576 161 S HA 0.348 4.818 4.470 0.000 0.000 0.276 161 S C 1.442 176.164 174.600 0.204 0.000 1.339 161 S CA -0.050 58.286 58.200 0.226 0.000 1.039 161 S CB 1.088 64.481 63.200 0.322 0.000 0.902 161 S HN 0.310 nan 8.310 nan 0.000 0.516 162 A N 4.014 127.005 122.820 0.285 0.000 2.070 162 A HA -0.014 4.306 4.320 0.000 0.000 0.220 162 A C 2.129 180.132 177.584 0.699 0.000 1.159 162 A CA 2.094 54.386 52.037 0.425 0.000 0.656 162 A CB -1.317 17.953 19.000 0.450 0.000 0.800 162 A HN 0.887 nan 8.150 nan 0.000 0.453 163 T N -0.397 114.534 114.554 0.629 0.000 2.777 163 T HA -0.073 4.277 4.350 0.000 0.000 0.266 163 T C 2.138 177.098 174.700 0.432 0.000 1.040 163 T CA 1.694 64.165 62.100 0.619 0.000 1.141 163 T CB -0.186 68.910 68.868 0.380 0.000 0.868 163 T HN 0.468 nan 8.240 nan 0.000 0.444 164 S N 0.550 116.405 115.700 0.259 0.000 2.461 164 S HA 0.195 4.666 4.470 0.000 0.000 0.228 164 S C 1.923 176.554 174.600 0.052 0.000 1.005 164 S CA 0.314 58.599 58.200 0.143 0.000 0.942 164 S CB -0.213 63.029 63.200 0.070 0.000 0.776 164 S HN 0.392 nan 8.310 nan 0.000 0.514 165 I N -0.033 120.517 120.570 -0.033 0.000 2.277 165 I HA -0.066 4.104 4.170 0.000 0.000 0.243 165 I C 1.338 177.207 176.117 -0.414 0.000 1.094 165 I CA 1.257 62.378 61.300 -0.298 0.000 1.393 165 I CB -0.139 37.519 38.000 -0.570 0.000 1.078 165 I HN 0.238 nan 8.210 nan 0.000 0.417 166 F N -0.329 119.583 119.950 -0.063 0.000 2.664 166 F HA 0.173 4.700 4.527 0.000 0.000 0.296 166 F C 0.536 175.854 175.800 -0.804 0.000 1.125 166 F CA 0.234 57.969 58.000 -0.441 0.000 1.444 166 F CB -0.170 38.540 39.000 -0.483 0.000 1.114 166 F HN -0.168 nan 8.300 nan 0.000 0.576 167 F N -0.823 119.181 119.950 0.090 0.000 2.654 167 F HA 0.476 5.003 4.527 0.000 0.000 0.334 167 F C 0.042 175.892 175.800 0.083 0.000 1.078 167 F CA -1.409 56.613 58.000 0.037 0.000 0.986 167 F CB 0.724 39.719 39.000 -0.009 0.000 1.362 167 F HN -0.436 nan 8.300 nan 0.000 0.498 168 E N 1.348 121.747 120.200 0.332 0.000 2.073 168 E HA 0.293 4.643 4.350 0.000 0.000 0.269 168 E C -0.880 175.941 176.600 0.370 0.000 0.917 168 E CA -0.330 56.251 56.400 0.302 0.000 0.757 168 E CB 1.421 31.285 29.700 0.275 0.000 1.111 168 E HN 0.570 nan 8.360 nan 0.000 0.410 169 S N 2.645 118.505 115.700 0.267 0.000 2.593 169 S HA 0.764 5.234 4.470 0.000 0.000 0.297 169 S C 0.030 174.640 174.600 0.015 0.000 1.112 169 S CA -0.866 57.442 58.200 0.179 0.000 1.043 169 S CB 1.834 65.092 63.200 0.096 0.000 1.054 169 S HN 0.495 nan 8.310 nan 0.000 0.516 170 M N 2.497 121.968 119.600 -0.215 0.000 2.277 170 M HA 0.609 5.089 4.480 0.000 0.000 0.282 170 M C -0.851 175.285 176.300 -0.273 0.000 1.074 170 M CA -0.491 54.535 55.300 -0.458 0.000 0.954 170 M CB 1.853 33.697 32.600 -1.260 0.000 1.672 170 M HN 1.027 nan 8.290 nan 0.000 0.471 171 A N 3.378 126.090 122.820 -0.179 0.000 2.287 171 A HA 0.715 5.035 4.320 0.000 0.000 0.273 171 A C -1.488 176.043 177.584 -0.088 0.000 1.091 171 A CA -0.254 51.688 52.037 -0.158 0.000 0.817 171 A CB 0.368 19.279 19.000 -0.148 0.000 1.069 171 A HN 0.870 nan 8.150 nan 0.000 0.492 172 Y N -1.148 119.083 120.300 -0.115 0.000 2.425 172 Y HA 0.728 5.279 4.550 0.000 0.000 0.344 172 Y C -0.319 175.507 175.900 -0.124 0.000 0.969 172 Y CA -1.213 56.813 58.100 -0.123 0.000 1.052 172 Y CB 1.116 39.498 38.460 -0.130 0.000 1.215 172 Y HN 0.611 nan 8.280 nan 0.000 0.451 173 K N 2.306 122.741 120.400 0.058 0.000 2.177 173 K HA 0.700 5.020 4.320 0.000 0.000 0.238 173 K C -0.560 176.040 176.600 0.001 0.000 1.015 173 K CA -1.167 55.111 56.287 -0.016 0.000 0.922 173 K CB 2.067 34.555 32.500 -0.021 0.000 1.127 173 K HN 0.681 nan 8.250 nan 0.000 0.469 174 V N -1.079 118.820 119.914 -0.024 0.000 2.837 174 V HA 0.335 4.455 4.120 0.000 0.000 0.310 174 V C -0.179 175.932 176.094 0.029 0.000 1.059 174 V CA -1.046 61.257 62.300 0.004 0.000 1.004 174 V CB 1.501 33.344 31.823 0.033 0.000 1.045 174 V HN 0.681 nan 8.190 nan 0.000 0.465 175 N N 4.181 122.920 118.700 0.064 0.000 2.420 175 N HA 0.298 5.038 4.740 0.000 0.000 0.262 175 N C -1.315 174.233 175.510 0.064 0.000 1.144 175 N CA -2.072 51.015 53.050 0.062 0.000 0.952 175 N CB 1.334 39.872 38.487 0.085 0.000 1.081 175 N HN 0.603 nan 8.380 nan 0.000 0.480 176 P HA -0.050 nan 4.420 nan 0.000 0.226 176 P C -0.122 177.199 177.300 0.036 0.000 1.153 176 P CA 0.914 64.032 63.100 0.030 0.000 0.777 176 P CB 0.527 32.236 31.700 0.015 0.000 0.794 177 D N -0.638 119.789 120.400 0.045 0.000 2.348 177 D HA -0.014 4.626 4.640 0.000 0.000 0.211 177 D C 1.665 178.007 176.300 0.070 0.000 0.998 177 D CA 1.338 55.364 54.000 0.044 0.000 0.873 177 D CB 0.116 40.936 40.800 0.034 0.000 0.925 177 D HN 0.358 nan 8.370 nan 0.000 0.524 178 T N -4.887 109.734 114.554 0.112 0.000 2.993 178 T HA 0.335 4.685 4.350 0.000 0.000 0.260 178 T C 1.673 176.517 174.700 0.240 0.000 0.939 178 T CA 0.669 62.891 62.100 0.202 0.000 0.886 178 T CB 1.043 70.058 68.868 0.246 0.000 1.209 178 T HN 0.080 nan 8.240 nan 0.000 0.518 179 G N 0.845 109.728 108.800 0.138 0.000 2.184 179 G HA2 -0.246 3.714 3.960 0.000 0.000 0.264 179 G HA3 -0.246 3.714 3.960 0.000 0.000 0.264 179 G C -0.184 174.745 174.900 0.048 0.000 0.975 179 G CA 0.326 45.447 45.100 0.036 0.000 0.642 179 G HN 0.644 nan 8.290 nan 0.000 0.536 180 Y N -0.024 120.355 120.300 0.131 0.000 2.376 180 Y HA 0.636 5.186 4.550 0.000 0.000 0.325 180 Y C 1.444 177.423 175.900 0.132 0.000 1.199 180 Y CA -1.152 57.082 58.100 0.224 0.000 1.206 180 Y CB 0.786 39.348 38.460 0.171 0.000 1.229 180 Y HN 0.124 nan 8.280 nan 0.000 0.480 181 I N 2.608 123.309 120.570 0.218 0.000 2.668 181 I HA -0.104 4.066 4.170 0.000 0.000 0.285 181 I C 0.278 176.247 176.117 -0.247 0.000 1.168 181 I CA 0.433 61.622 61.300 -0.184 0.000 1.424 181 I CB 0.223 37.881 38.000 -0.570 0.000 1.377 181 I HN 0.555 nan 8.210 nan 0.000 0.560 182 D N 6.972 127.274 120.400 -0.162 0.000 2.470 182 D HA 0.019 4.659 4.640 0.000 0.000 0.226 182 D C 0.669 176.866 176.300 -0.172 0.000 1.196 182 D CA 0.040 53.992 54.000 -0.081 0.000 0.979 182 D CB 0.274 41.062 40.800 -0.020 0.000 1.059 182 D HN 0.334 nan 8.370 nan 0.000 0.515 183 Y N 1.343 121.623 120.300 -0.032 0.000 2.293 183 Y HA -0.147 4.403 4.550 0.000 0.000 0.291 183 Y C 2.005 177.858 175.900 -0.078 0.000 1.137 183 Y CA 0.738 58.785 58.100 -0.089 0.000 1.202 183 Y CB 0.106 38.516 38.460 -0.082 0.000 0.990 183 Y HN 0.323 nan 8.280 nan 0.000 0.537 184 D N -0.116 120.338 120.400 0.090 0.000 2.084 184 D HA -0.169 4.471 4.640 0.000 0.000 0.194 184 D C 2.228 178.530 176.300 0.004 0.000 0.990 184 D CA 1.228 55.251 54.000 0.039 0.000 0.826 184 D CB -0.274 40.545 40.800 0.031 0.000 0.971 184 D HN 0.106 nan 8.370 nan 0.000 0.453 185 R N 0.871 121.367 120.500 -0.008 0.000 2.096 185 R HA -0.096 4.244 4.340 0.000 0.000 0.235 185 R C 2.151 178.429 176.300 -0.036 0.000 1.127 185 R CA 0.723 56.813 56.100 -0.018 0.000 0.968 185 R CB -0.988 29.304 30.300 -0.013 0.000 0.861 185 R HN 0.203 nan 8.270 nan 0.000 0.440 186 L N 0.986 122.162 121.223 -0.078 0.000 2.083 186 L HA -0.082 4.258 4.340 0.000 0.000 0.209 186 L C 2.059 178.879 176.870 -0.084 0.000 1.083 186 L CA 2.225 56.985 54.840 -0.132 0.000 0.752 186 L CB -0.811 41.038 42.059 -0.351 0.000 0.899 186 L HN 0.438 nan 8.230 nan 0.000 0.433 187 E N -0.519 119.651 120.200 -0.050 0.000 2.077 187 E HA -0.252 4.098 4.350 0.000 0.000 0.193 187 E C 1.951 178.537 176.600 -0.022 0.000 0.989 187 E CA 1.605 57.990 56.400 -0.026 0.000 0.800 187 E CB -0.070 29.627 29.700 -0.005 0.000 0.746 187 E HN 0.705 nan 8.360 nan 0.000 0.452 188 E N 0.036 120.224 120.200 -0.019 0.000 2.047 188 E HA -0.147 4.203 4.350 0.000 0.000 0.191 188 E C 1.993 178.581 176.600 -0.020 0.000 0.987 188 E CA 0.997 57.387 56.400 -0.017 0.000 0.799 188 E CB -0.064 29.629 29.700 -0.011 0.000 0.752 188 E HN 0.224 nan 8.360 nan 0.000 0.449 189 N N 0.993 119.683 118.700 -0.016 0.000 2.223 189 N HA -0.109 4.631 4.740 0.000 0.000 0.185 189 N C 1.616 177.137 175.510 0.019 0.000 1.016 189 N CA 1.174 54.222 53.050 -0.003 0.000 0.863 189 N CB -0.344 38.136 38.487 -0.011 0.000 0.983 189 N HN 0.145 nan 8.380 nan 0.000 0.429 190 A N 1.171 123.995 122.820 0.007 0.000 1.972 190 A HA -0.103 4.217 4.320 0.000 0.000 0.219 190 A C 2.177 179.717 177.584 -0.075 0.000 1.169 190 A CA 1.126 53.179 52.037 0.027 0.000 0.635 190 A CB -0.357 18.650 19.000 0.012 0.000 0.810 190 A HN 0.233 nan 8.150 nan 0.000 0.446 191 R N -0.772 119.664 120.500 -0.107 0.000 2.148 191 R HA 0.053 4.393 4.340 0.000 0.000 0.227 191 R C 1.739 177.790 176.300 -0.416 0.000 1.103 191 R CA 1.205 57.187 56.100 -0.197 0.000 0.983 191 R CB -0.292 29.953 30.300 -0.090 0.000 0.874 191 R HN 0.504 nan 8.270 nan 0.000 0.451 192 L N -1.510 119.564 121.223 -0.249 0.000 2.253 192 L HA 0.028 4.368 4.340 0.000 0.000 0.205 192 L C 1.854 178.646 176.870 -0.131 0.000 1.078 192 L CA 0.354 55.084 54.840 -0.184 0.000 0.805 192 L CB -0.130 41.923 42.059 -0.011 0.000 0.963 192 L HN 0.086 nan 8.230 nan 0.000 0.459 193 F N 0.623 120.455 119.950 -0.197 0.000 2.416 193 F HA 0.006 4.533 4.527 0.000 0.000 0.296 193 F C 0.614 176.445 175.800 0.051 0.000 1.099 193 F CA 0.242 58.222 58.000 -0.033 0.000 1.427 193 F CB -0.221 38.778 39.000 -0.003 0.000 1.079 193 F HN 0.184 nan 8.300 nan 0.000 0.536 194 H N -0.478 118.578 119.070 -0.023 0.000 2.765 194 H HA -0.116 4.440 4.556 0.000 0.000 0.332 194 H C -2.397 172.826 175.328 -0.175 0.000 1.180 194 H CA 0.049 56.035 56.048 -0.104 0.000 1.142 194 H CB -1.851 27.828 29.762 -0.138 0.000 1.576 194 H HN 0.194 nan 8.280 nan 0.000 0.420 195 P HA 0.033 nan 4.420 nan 0.000 0.272 195 P C 0.375 177.706 177.300 0.051 0.000 1.223 195 P CA -0.224 62.924 63.100 0.081 0.000 0.784 195 P CB 1.297 33.141 31.700 0.240 0.000 0.923 196 K N 0.845 121.274 120.400 0.048 0.000 2.334 196 K HA 0.223 4.543 4.320 0.000 0.000 0.195 196 K C 0.537 177.203 176.600 0.109 0.000 1.045 196 K CA 0.235 56.553 56.287 0.052 0.000 1.004 196 K CB 0.330 32.864 32.500 0.058 0.000 0.837 196 K HN 0.422 nan 8.250 nan 0.000 0.510 197 L N 0.772 122.067 121.223 0.120 0.000 2.526 197 L HA 0.456 4.796 4.340 0.000 0.000 0.263 197 L C -1.779 175.175 176.870 0.139 0.000 0.943 197 L CA -0.606 54.329 54.840 0.159 0.000 0.859 197 L CB 1.771 43.914 42.059 0.141 0.000 1.313 197 L HN -0.133 nan 8.230 nan 0.000 0.406 198 I N 5.183 125.849 120.570 0.161 0.000 2.433 198 I HA 0.435 4.605 4.170 0.000 0.000 0.292 198 I C -0.567 175.635 176.117 0.142 0.000 1.001 198 I CA -0.603 60.788 61.300 0.151 0.000 1.119 198 I CB 2.060 40.136 38.000 0.125 0.000 1.289 198 I HN 0.470 nan 8.210 nan 0.000 0.438 199 I N 5.294 125.935 120.570 0.119 0.000 2.336 199 I HA 0.429 4.599 4.170 0.000 0.000 0.292 199 I C 0.263 176.421 176.117 0.068 0.000 0.991 199 I CA -0.367 60.944 61.300 0.017 0.000 1.227 199 I CB 1.612 39.473 38.000 -0.233 0.000 1.366 199 I HN 0.605 nan 8.210 nan 0.000 0.466 200 A N 5.493 128.371 122.820 0.097 0.000 2.394 200 A HA 0.831 5.151 4.320 0.000 0.000 0.333 200 A C 0.068 177.750 177.584 0.163 0.000 1.397 200 A CA -0.348 51.794 52.037 0.174 0.000 0.884 200 A CB 0.289 19.480 19.000 0.318 0.000 1.147 200 A HN 0.903 nan 8.150 nan 0.000 0.505 201 G N 0.667 109.539 108.800 0.119 0.000 2.556 201 G HA2 0.645 4.605 3.960 0.000 0.000 0.294 201 G HA3 0.645 4.605 3.960 0.000 0.000 0.294 201 G C -0.766 174.287 174.900 0.256 0.000 1.516 201 G CA 0.210 45.431 45.100 0.202 0.000 0.824 201 G HN 1.378 nan 8.290 nan 0.000 0.535 202 T N -2.154 112.532 114.554 0.219 0.000 2.841 202 T HA 0.751 5.101 4.350 0.000 0.000 0.296 202 T C 0.480 175.243 174.700 0.105 0.000 1.166 202 T CA 0.059 62.242 62.100 0.138 0.000 1.007 202 T CB 1.834 70.743 68.868 0.069 0.000 1.253 202 T HN 0.533 nan 8.240 nan 0.000 0.511 203 S N -0.804 114.911 115.700 0.026 0.000 2.539 203 S HA 0.268 4.738 4.470 0.000 0.000 0.226 203 S C 0.452 174.894 174.600 -0.262 0.000 1.054 203 S CA -0.134 58.041 58.200 -0.041 0.000 0.910 203 S CB 0.254 63.526 63.200 0.120 0.000 0.818 203 S HN 0.903 nan 8.310 nan 0.000 0.490 204 C N 1.989 121.209 119.300 -0.134 0.000 3.452 204 C HA 0.605 5.065 4.460 0.000 0.000 0.251 204 C C -1.718 173.270 174.990 -0.004 0.000 1.160 204 C CA -0.499 58.442 59.018 -0.128 0.000 1.328 204 C CB -0.960 26.724 27.740 -0.092 0.000 1.819 204 C HN 0.487 nan 8.230 nan 0.000 0.543 205 Y N 2.810 122.998 120.300 -0.186 0.000 2.362 205 Y HA 0.442 4.992 4.550 0.000 0.000 0.326 205 Y C 0.702 176.507 175.900 -0.159 0.000 1.083 205 Y CA -0.051 57.957 58.100 -0.153 0.000 1.073 205 Y CB 1.956 40.354 38.460 -0.104 0.000 1.211 205 Y HN 0.458 nan 8.280 nan 0.000 0.433 206 S N 4.377 119.795 115.700 -0.470 0.000 2.593 206 S HA 0.341 4.811 4.470 0.000 0.000 0.217 206 S C 0.264 174.612 174.600 -0.421 0.000 0.966 206 S CA -0.161 57.806 58.200 -0.390 0.000 0.914 206 S CB -0.076 62.922 63.200 -0.337 0.000 0.776 206 S HN 0.452 nan 8.310 nan 0.000 0.523 207 R N 1.685 121.767 120.500 -0.697 0.000 2.873 207 R HA 0.486 4.826 4.340 0.000 0.000 0.264 207 R C -0.577 175.703 176.300 -0.034 0.000 1.026 207 R CA -0.851 55.011 56.100 -0.396 0.000 1.002 207 R CB 0.208 30.180 30.300 -0.546 0.000 1.174 207 R HN 0.228 nan 8.270 nan 0.000 0.488 208 N N 1.047 119.779 118.700 0.053 0.000 2.479 208 N HA 0.130 4.870 4.740 0.000 0.000 0.257 208 N C -0.130 175.445 175.510 0.107 0.000 1.232 208 N CA 0.060 53.164 53.050 0.091 0.000 0.920 208 N CB 0.636 39.166 38.487 0.071 0.000 1.105 208 N HN 0.271 nan 8.380 nan 0.000 0.444 209 L N 0.769 121.935 121.223 -0.096 0.000 2.334 209 L HA 0.154 4.494 4.340 0.000 0.000 0.277 209 L C 0.806 177.397 176.870 -0.463 0.000 1.075 209 L CA -0.601 54.082 54.840 -0.261 0.000 0.804 209 L CB 0.751 42.451 42.059 -0.599 0.000 1.174 209 L HN 0.361 nan 8.230 nan 0.000 0.438 210 D N 1.870 122.111 120.400 -0.265 0.000 2.551 210 D HA 0.008 4.648 4.640 0.000 0.000 0.223 210 D C 0.737 176.819 176.300 -0.364 0.000 1.144 210 D CA 0.030 53.786 54.000 -0.407 0.000 1.025 210 D CB 0.263 40.604 40.800 -0.765 0.000 1.085 210 D HN 0.306 nan 8.370 nan 0.000 0.506 211 Y N 1.066 121.266 120.300 -0.167 0.000 2.207 211 Y HA -0.102 4.448 4.550 0.000 0.000 0.287 211 Y C 2.531 178.204 175.900 -0.378 0.000 1.156 211 Y CA 1.348 59.340 58.100 -0.179 0.000 1.182 211 Y CB -0.601 37.819 38.460 -0.066 0.000 0.979 211 Y HN 0.399 nan 8.280 nan 0.000 0.521 212 G N -0.429 108.010 108.800 -0.601 0.000 2.421 212 G HA2 -0.325 3.635 3.960 0.000 0.000 0.216 212 G HA3 -0.325 3.635 3.960 0.000 0.000 0.216 212 G C 1.770 176.534 174.900 -0.226 0.000 1.171 212 G CA 1.156 45.901 45.100 -0.592 0.000 0.775 212 G HN 0.252 nan 8.290 nan 0.000 0.543 213 R N 0.310 120.656 120.500 -0.257 0.000 2.081 213 R HA 0.103 4.443 4.340 0.000 0.000 0.235 213 R C 2.554 178.798 176.300 -0.093 0.000 1.131 213 R CA 1.116 57.091 56.100 -0.208 0.000 0.960 213 R CB -0.724 29.331 30.300 -0.410 0.000 0.856 213 R HN 0.395 nan 8.270 nan 0.000 0.436 214 L N 0.020 121.208 121.223 -0.058 0.000 2.131 214 L HA -0.097 4.243 4.340 0.000 0.000 0.210 214 L C 2.529 179.429 176.870 0.051 0.000 1.092 214 L CA 1.355 56.215 54.840 0.033 0.000 0.759 214 L CB -0.379 41.731 42.059 0.085 0.000 0.903 214 L HN 0.162 nan 8.230 nan 0.000 0.435 215 R N 0.888 121.415 120.500 0.047 0.000 2.092 215 R HA -0.125 4.216 4.340 0.000 0.000 0.231 215 R C 2.085 178.428 176.300 0.072 0.000 1.119 215 R CA 1.497 57.642 56.100 0.076 0.000 0.970 215 R CB -0.182 30.178 30.300 0.099 0.000 0.864 215 R HN 0.210 nan 8.270 nan 0.000 0.440 216 K N 0.003 120.425 120.400 0.037 0.000 2.026 216 K HA -0.089 4.231 4.320 0.000 0.000 0.208 216 K C 2.109 178.727 176.600 0.031 0.000 1.048 216 K CA 1.941 58.246 56.287 0.030 0.000 0.929 216 K CB -0.296 32.206 32.500 0.002 0.000 0.713 216 K HN 0.194 nan 8.250 nan 0.000 0.439 217 I N 1.114 121.698 120.570 0.023 0.000 2.226 217 I HA -0.292 3.878 4.170 0.000 0.000 0.245 217 I C 2.581 178.721 176.117 0.038 0.000 1.100 217 I CA 1.117 62.429 61.300 0.020 0.000 1.374 217 I CB -0.479 37.523 38.000 0.004 0.000 1.057 217 I HN 0.180 nan 8.210 nan 0.000 0.413 218 A N 0.757 123.617 122.820 0.067 0.000 1.858 218 A HA -0.251 4.069 4.320 0.000 0.000 0.216 218 A C 2.008 179.641 177.584 0.081 0.000 1.190 218 A CA 2.149 54.245 52.037 0.099 0.000 0.617 218 A CB -0.713 18.394 19.000 0.179 0.000 0.827 218 A HN 0.334 nan 8.150 nan 0.000 0.443 219 D N -0.672 119.787 120.400 0.098 0.000 2.133 219 D HA -0.187 4.453 4.640 0.000 0.000 0.195 219 D C 1.862 178.179 176.300 0.028 0.000 0.997 219 D CA 1.509 55.549 54.000 0.068 0.000 0.840 219 D CB -0.451 40.397 40.800 0.080 0.000 0.947 219 D HN 0.708 nan 8.370 nan 0.000 0.452 220 E N 0.286 120.503 120.200 0.028 0.000 2.097 220 E HA -0.171 4.179 4.350 0.000 0.000 0.196 220 E C 1.041 177.649 176.600 0.013 0.000 1.000 220 E CA 0.903 57.312 56.400 0.016 0.000 0.804 220 E CB 0.119 29.827 29.700 0.013 0.000 0.740 220 E HN 0.219 nan 8.360 nan 0.000 0.454 221 N N -0.771 117.939 118.700 0.017 0.000 2.270 221 N HA 0.030 4.771 4.740 0.000 0.000 0.198 221 N C 0.712 176.223 175.510 0.001 0.000 1.117 221 N CA 0.763 53.827 53.050 0.022 0.000 0.845 221 N CB 1.203 39.707 38.487 0.029 0.000 0.980 221 N HN 0.294 nan 8.380 nan 0.000 0.486 222 G N 0.801 109.586 108.800 -0.026 0.000 2.168 222 G HA2 -0.294 3.666 3.960 0.000 0.000 0.257 222 G HA3 -0.294 3.666 3.960 0.000 0.000 0.257 222 G C 0.265 175.069 174.900 -0.159 0.000 0.997 222 G CA 0.563 45.610 45.100 -0.088 0.000 0.708 222 G HN 0.593 nan 8.290 nan 0.000 0.520 223 A N -1.003 121.764 122.820 -0.088 0.000 2.264 223 A HA 0.798 5.118 4.320 0.000 0.000 0.304 223 A C -0.091 177.443 177.584 -0.084 0.000 1.100 223 A CA -0.632 51.354 52.037 -0.085 0.000 0.839 223 A CB 0.717 19.739 19.000 0.038 0.000 1.121 223 A HN 0.499 nan 8.150 nan 0.000 0.496 224 Y N -0.490 119.837 120.300 0.045 0.000 2.301 224 Y HA 0.436 4.986 4.550 0.000 0.000 0.325 224 Y C 0.142 176.204 175.900 0.270 0.000 1.203 224 Y CA -0.154 57.996 58.100 0.083 0.000 1.255 224 Y CB 1.280 39.760 38.460 0.033 0.000 1.232 224 Y HN 0.501 nan 8.280 nan 0.000 0.501 225 L N 5.280 126.942 121.223 0.731 0.000 2.294 225 L HA 0.487 4.827 4.340 0.000 0.000 0.283 225 L C -0.830 176.206 176.870 0.277 0.000 1.015 225 L CA -0.560 54.499 54.840 0.365 0.000 0.831 225 L CB 0.621 42.801 42.059 0.202 0.000 1.217 225 L HN 0.697 nan 8.230 nan 0.000 0.420 226 M N 5.016 124.734 119.600 0.197 0.000 2.227 226 M HA 0.758 5.238 4.480 0.000 0.000 0.335 226 M C -0.839 175.505 176.300 0.074 0.000 1.053 226 M CA -0.469 54.905 55.300 0.123 0.000 0.973 226 M CB 1.469 34.142 32.600 0.121 0.000 1.623 226 M HN 0.766 nan 8.290 nan 0.000 0.434 227 A N 3.284 126.108 122.820 0.006 0.000 2.312 227 A HA 0.477 4.797 4.320 0.000 0.000 0.326 227 A C -1.034 176.540 177.584 -0.017 0.000 1.172 227 A CA -0.524 51.511 52.037 -0.004 0.000 0.821 227 A CB 0.713 19.609 19.000 -0.173 0.000 1.166 227 A HN 0.782 nan 8.150 nan 0.000 0.493 228 D N 3.028 123.456 120.400 0.046 0.000 2.462 228 D HA 0.283 4.923 4.640 0.000 0.000 0.249 228 D C 0.655 177.011 176.300 0.093 0.000 1.117 228 D CA -0.360 53.690 54.000 0.083 0.000 0.900 228 D CB 0.585 41.518 40.800 0.221 0.000 1.039 228 D HN 0.519 nan 8.370 nan 0.000 0.516 229 M N 1.188 120.801 119.600 0.022 0.000 2.581 229 M HA 0.353 4.833 4.480 0.000 0.000 0.224 229 M C 1.478 177.810 176.300 0.054 0.000 1.171 229 M CA -0.226 55.101 55.300 0.046 0.000 0.993 229 M CB 0.531 33.107 32.600 -0.040 0.000 1.685 229 M HN 0.116 nan 8.290 nan 0.000 0.479 230 A N 1.196 124.031 122.820 0.026 0.000 1.923 230 A HA -0.289 4.031 4.320 0.000 0.000 0.222 230 A C 1.823 179.357 177.584 -0.082 0.000 1.258 230 A CA 2.635 54.638 52.037 -0.058 0.000 0.670 230 A CB -1.416 17.513 19.000 -0.118 0.000 0.834 230 A HN 0.765 nan 8.150 nan 0.000 0.470 231 H N -0.739 118.331 119.070 0.001 0.000 2.428 231 H HA 0.103 4.659 4.556 0.000 0.000 0.296 231 H C 1.728 176.989 175.328 -0.112 0.000 1.062 231 H CA 1.575 57.634 56.048 0.018 0.000 1.350 231 H CB -0.021 29.853 29.762 0.187 0.000 1.403 231 H HN 0.689 nan 8.280 nan 0.000 0.533 232 I N -1.459 119.168 120.570 0.095 0.000 3.976 232 I HA 0.168 4.338 4.170 0.000 0.000 0.337 232 I C 1.875 178.031 176.117 0.066 0.000 1.359 232 I CA 0.334 61.654 61.300 0.034 0.000 1.098 232 I CB 0.273 38.356 38.000 0.138 0.000 1.027 232 I HN 0.076 nan 8.210 nan 0.000 0.394 233 S N 1.940 117.689 115.700 0.081 0.000 2.392 233 S HA -0.184 4.286 4.470 0.000 0.000 0.232 233 S C 1.984 176.724 174.600 0.235 0.000 1.041 233 S CA 1.669 59.977 58.200 0.180 0.000 1.026 233 S CB -1.429 61.865 63.200 0.156 0.000 0.845 233 S HN 0.590 nan 8.310 nan 0.000 0.465 234 G N 1.364 110.267 108.800 0.171 0.000 2.394 234 G HA2 0.065 4.025 3.960 0.000 0.000 0.215 234 G HA3 0.065 4.025 3.960 0.000 0.000 0.215 234 G C 1.330 176.342 174.900 0.188 0.000 1.165 234 G CA 0.771 46.041 45.100 0.282 0.000 0.784 234 G HN 0.462 nan 8.290 nan 0.000 0.535 235 L N 0.683 121.941 121.223 0.058 0.000 2.083 235 L HA -0.024 4.316 4.340 0.000 0.000 0.209 235 L C 3.019 179.932 176.870 0.072 0.000 1.083 235 L CA 0.777 55.628 54.840 0.019 0.000 0.752 235 L CB -0.721 41.337 42.059 -0.003 0.000 0.899 235 L HN 0.074 nan 8.230 nan 0.000 0.433 236 V N -1.293 118.697 119.914 0.127 0.000 2.295 236 V HA -0.262 3.859 4.120 0.000 0.000 0.246 236 V C 2.430 178.580 176.094 0.093 0.000 1.049 236 V CA 1.497 63.893 62.300 0.161 0.000 1.024 236 V CB -0.409 31.583 31.823 0.283 0.000 0.648 236 V HN 0.234 nan 8.190 nan 0.000 0.447 237 V N 0.459 120.383 119.914 0.017 0.000 2.287 237 V HA -0.269 3.851 4.120 0.000 0.000 0.248 237 V C 2.556 178.622 176.094 -0.047 0.000 1.053 237 V CA 2.144 64.315 62.300 -0.215 0.000 1.027 237 V CB -1.103 30.561 31.823 -0.266 0.000 0.646 237 V HN 0.576 nan 8.190 nan 0.000 0.447 238 A N -0.589 122.275 122.820 0.075 0.000 2.239 238 A HA 0.324 4.644 4.320 0.000 0.000 0.209 238 A C 1.960 179.555 177.584 0.018 0.000 1.171 238 A CA 1.032 53.107 52.037 0.064 0.000 0.768 238 A CB -0.785 18.241 19.000 0.044 0.000 0.790 238 A HN 1.336 nan 8.150 nan 0.000 0.478 239 G N -1.771 107.039 108.800 0.017 0.000 2.160 239 G HA2 -0.242 3.718 3.960 0.000 0.000 0.251 239 G HA3 -0.242 3.718 3.960 0.000 0.000 0.251 239 G C 0.704 175.616 174.900 0.020 0.000 1.008 239 G CA 0.435 45.546 45.100 0.019 0.000 0.724 239 G HN 0.677 nan 8.290 nan 0.000 0.514 240 V N -0.650 119.274 119.914 0.015 0.000 3.235 240 V HA 0.253 4.373 4.120 0.000 0.000 0.259 240 V C 1.407 177.516 176.094 0.025 0.000 1.133 240 V CA 1.596 63.898 62.300 0.003 0.000 1.128 240 V CB 0.357 32.161 31.823 -0.031 0.000 0.757 240 V HN 1.150 nan 8.190 nan 0.000 0.469 241 V N -3.838 116.108 119.914 0.053 0.000 3.049 241 V HA 0.660 4.781 4.120 0.000 0.000 0.309 241 V C -3.027 173.133 176.094 0.110 0.000 1.148 241 V CA -2.795 59.554 62.300 0.082 0.000 0.990 241 V CB 1.404 33.288 31.823 0.102 0.000 1.039 241 V HN -0.008 nan 8.190 nan 0.000 0.430 242 P HA 0.168 nan 4.420 nan 0.000 0.265 242 P C -0.137 177.279 177.300 0.193 0.000 1.187 242 P CA 0.489 63.687 63.100 0.164 0.000 0.766 242 P CB 0.492 32.308 31.700 0.194 0.000 0.820 243 S N 3.280 119.065 115.700 0.142 0.000 2.545 243 S HA 0.261 4.731 4.470 0.000 0.000 0.275 243 S C -1.355 173.186 174.600 -0.097 0.000 1.299 243 S CA -1.405 56.848 58.200 0.088 0.000 1.048 243 S CB 0.091 63.361 63.200 0.117 0.000 0.938 243 S HN 0.327 nan 8.310 nan 0.000 0.496 244 P HA 0.099 nan 4.420 nan 0.000 0.245 244 P C 0.665 177.519 177.300 -0.742 0.000 1.206 244 P CA 0.408 62.843 63.100 -1.108 0.000 0.781 244 P CB -0.052 30.881 31.700 -1.277 0.000 0.994 245 F N 0.780 120.476 119.950 -0.424 0.000 2.699 245 F HA 0.045 4.572 4.527 0.000 0.000 0.298 245 F C 2.436 178.197 175.800 -0.065 0.000 1.154 245 F CA 0.800 58.574 58.000 -0.378 0.000 1.457 245 F CB -0.458 38.103 39.000 -0.733 0.000 1.106 245 F HN 0.002 nan 8.300 nan 0.000 0.585 246 E N -0.640 119.549 120.200 -0.018 0.000 2.112 246 E HA -0.143 4.207 4.350 0.000 0.000 0.190 246 E C 1.150 177.522 176.600 -0.380 0.000 0.979 246 E CA 1.145 57.442 56.400 -0.172 0.000 0.814 246 E CB 0.087 29.627 29.700 -0.266 0.000 0.762 246 E HN 0.513 nan 8.360 nan 0.000 0.460 247 H N -2.079 116.986 119.070 -0.008 0.000 3.058 247 H HA 0.262 4.818 4.556 0.000 0.000 0.258 247 H C 0.204 175.466 175.328 -0.111 0.000 1.015 247 H CA -0.357 55.680 56.048 -0.018 0.000 1.210 247 H CB 0.409 30.194 29.762 0.039 0.000 1.481 247 H HN 0.032 nan 8.280 nan 0.000 0.492 248 C N 0.828 120.108 119.300 -0.033 0.000 2.520 248 C HA 0.132 4.592 4.460 0.000 0.000 0.376 248 C C 1.492 176.429 174.990 -0.088 0.000 1.268 248 C CA -0.181 58.774 59.018 -0.105 0.000 2.414 248 C CB 0.870 28.533 27.740 -0.129 0.000 2.521 248 C HN 0.643 nan 8.230 nan 0.000 0.618 249 H N -0.626 118.518 119.070 0.124 0.000 2.486 249 H HA 0.269 4.825 4.556 0.000 0.000 0.287 249 H C 0.073 175.412 175.328 0.017 0.000 1.010 249 H CA 0.637 56.691 56.048 0.011 0.000 1.324 249 H CB 0.175 30.038 29.762 0.169 0.000 1.446 249 H HN 0.339 nan 8.280 nan 0.000 0.537 250 V N 0.980 121.023 119.914 0.214 0.000 2.841 250 V HA 0.357 4.477 4.120 0.000 0.000 0.310 250 V C -0.966 175.178 176.094 0.082 0.000 1.090 250 V CA -0.984 61.439 62.300 0.205 0.000 0.930 250 V CB 2.971 34.859 31.823 0.109 0.000 1.014 250 V HN -0.125 nan 8.190 nan 0.000 0.425 251 V N 2.705 122.656 119.914 0.063 0.000 2.482 251 V HA 0.599 4.719 4.120 0.000 0.000 0.295 251 V C 0.154 176.275 176.094 0.046 0.000 1.026 251 V CA -0.393 61.803 62.300 -0.172 0.000 0.856 251 V CB 2.030 33.363 31.823 -0.818 0.000 1.001 251 V HN 1.066 nan 8.190 nan 0.000 0.424 252 T N 0.752 115.314 114.554 0.014 0.000 2.944 252 T HA 0.856 5.206 4.350 0.000 0.000 0.284 252 T C -0.255 174.472 174.700 0.044 0.000 1.010 252 T CA -0.643 61.488 62.100 0.051 0.000 1.025 252 T CB 2.186 71.062 68.868 0.013 0.000 1.079 252 T HN 0.767 nan 8.240 nan 0.000 0.516 253 T N 0.410 114.995 114.554 0.052 0.000 2.831 253 T HA 0.528 4.878 4.350 0.000 0.000 0.333 253 T C -0.582 174.120 174.700 0.004 0.000 1.684 253 T CA -0.399 61.719 62.100 0.030 0.000 1.049 253 T CB 1.148 70.061 68.868 0.075 0.000 1.518 253 T HN 1.170 nan 8.240 nan 0.000 0.491 254 T N 0.377 114.887 114.554 -0.073 0.000 2.847 254 T HA 0.475 4.825 4.350 0.000 0.000 0.279 254 T C 1.392 176.051 174.700 -0.069 0.000 0.984 254 T CA 0.164 62.181 62.100 -0.138 0.000 0.988 254 T CB 0.929 69.481 68.868 -0.526 0.000 1.040 254 T HN 0.790 nan 8.240 nan 0.000 0.528 255 T N -3.005 111.571 114.554 0.037 0.000 3.023 255 T HA 0.135 4.485 4.350 0.000 0.000 0.253 255 T C 1.048 175.819 174.700 0.118 0.000 1.038 255 T CA -0.202 61.952 62.100 0.090 0.000 0.962 255 T CB -0.335 68.597 68.868 0.107 0.000 1.018 255 T HN 0.844 nan 8.240 nan 0.000 0.521 256 H N 1.479 120.557 119.070 0.013 0.000 3.589 256 H HA 0.538 5.094 4.556 0.000 0.000 0.123 256 H C 0.918 176.244 175.328 -0.004 0.000 1.577 256 H CA -0.374 55.677 56.048 0.005 0.000 1.565 256 H CB -0.558 29.198 29.762 -0.010 0.000 0.742 256 H HN 0.055 nan 8.280 nan 0.000 0.706 257 K N -1.094 119.292 120.400 -0.023 0.000 2.004 257 K HA -0.271 4.049 4.320 0.000 0.000 0.116 257 K C 1.589 178.173 176.600 -0.027 0.000 1.340 257 K CA 2.301 58.517 56.287 -0.118 0.000 0.509 257 K CB -1.698 30.599 32.500 -0.338 0.000 0.538 257 K HN 0.817 nan 8.250 nan 0.000 0.955 258 T N -0.276 114.238 114.554 -0.067 0.000 3.098 258 T HA -0.045 4.305 4.350 0.000 0.000 0.266 258 T C 1.598 176.419 174.700 0.202 0.000 1.145 258 T CA 1.359 63.476 62.100 0.029 0.000 1.092 258 T CB 0.052 68.845 68.868 -0.125 0.000 0.908 258 T HN 0.348 nan 8.240 nan 0.000 0.526 259 L N 0.787 122.107 121.223 0.161 0.000 2.418 259 L HA 0.453 4.793 4.340 0.000 0.000 0.218 259 L C 1.570 178.567 176.870 0.210 0.000 1.125 259 L CA 0.763 55.736 54.840 0.222 0.000 0.835 259 L CB -0.852 41.279 42.059 0.120 0.000 0.953 259 L HN 0.373 nan 8.230 nan 0.000 0.454 260 R N -1.041 119.566 120.500 0.178 0.000 3.651 260 R HA -0.153 4.187 4.340 0.000 0.000 0.292 260 R C 0.564 176.924 176.300 0.101 0.000 1.161 260 R CA 0.438 56.628 56.100 0.149 0.000 0.787 260 R CB -1.778 28.635 30.300 0.189 0.000 1.249 260 R HN 0.571 nan 8.270 nan 0.000 0.476 261 G N -0.586 108.273 108.800 0.098 0.000 2.671 261 G HA2 0.493 4.453 3.960 0.000 0.000 0.275 261 G HA3 0.493 4.453 3.960 0.000 0.000 0.275 261 G C 0.475 175.427 174.900 0.087 0.000 1.368 261 G CA -0.251 44.891 45.100 0.071 0.000 1.044 261 G HN 0.466 nan 8.290 nan 0.000 0.543 262 C N -1.756 117.578 119.300 0.056 0.000 2.553 262 C HA 0.671 5.132 4.460 0.000 0.000 0.345 262 C C 0.766 175.771 174.990 0.025 0.000 1.369 262 C CA -1.232 57.800 59.018 0.024 0.000 2.447 262 C CB -0.125 27.618 27.740 0.005 0.000 2.358 262 C HN 0.639 nan 8.230 nan 0.000 0.676 263 R N 1.371 121.810 120.500 -0.101 0.000 2.370 263 R HA 0.541 4.881 4.340 0.000 0.000 0.309 263 R C 0.260 176.562 176.300 0.004 0.000 1.059 263 R CA 0.901 56.869 56.100 -0.220 0.000 0.981 263 R CB 0.260 30.307 30.300 -0.420 0.000 0.972 263 R HN 1.044 nan 8.270 nan 0.000 0.437 264 A N 1.646 124.557 122.820 0.152 0.000 2.457 264 A HA 0.762 5.082 4.320 0.000 0.000 0.305 264 A C -1.230 176.430 177.584 0.126 0.000 1.110 264 A CA -0.295 51.806 52.037 0.107 0.000 0.616 264 A CB 1.114 20.146 19.000 0.053 0.000 1.371 264 A HN 0.707 nan 8.150 nan 0.000 0.525 265 G N -1.057 107.775 108.800 0.053 0.000 2.692 265 G HA2 0.677 4.637 3.960 0.000 0.000 0.291 265 G HA3 0.677 4.637 3.960 0.000 0.000 0.291 265 G C -1.219 173.668 174.900 -0.021 0.000 1.423 265 G CA -0.535 44.582 45.100 0.028 0.000 0.843 265 G HN 0.739 nan 8.290 nan 0.000 0.486 266 M N 0.103 119.684 119.600 -0.033 0.000 2.550 266 M HA 0.546 5.026 4.480 0.000 0.000 0.292 266 M C -1.256 174.977 176.300 -0.112 0.000 1.221 266 M CA -0.576 54.648 55.300 -0.128 0.000 0.873 266 M CB 3.155 35.617 32.600 -0.230 0.000 1.727 266 M HN 0.279 nan 8.290 nan 0.000 0.459 267 I N 1.813 122.280 120.570 -0.171 0.000 2.439 267 I HA 0.399 4.569 4.170 0.000 0.000 0.283 267 I C -1.404 174.668 176.117 -0.074 0.000 1.023 267 I CA -0.299 60.982 61.300 -0.031 0.000 1.100 267 I CB 1.175 39.202 38.000 0.045 0.000 1.238 267 I HN 0.474 nan 8.210 nan 0.000 0.445 268 F N 6.490 126.473 119.950 0.056 0.000 2.385 268 F HA 0.523 5.050 4.527 0.000 0.000 0.336 268 F C -0.141 175.805 175.800 0.243 0.000 1.100 268 F CA -0.370 57.658 58.000 0.048 0.000 1.116 268 F CB 1.096 40.160 39.000 0.107 0.000 1.166 268 F HN 0.310 nan 8.300 nan 0.000 0.511 269 Y N -0.371 120.251 120.300 0.536 0.000 2.544 269 Y HA 0.659 5.210 4.550 0.000 0.000 0.342 269 Y C -0.730 175.111 175.900 -0.097 0.000 1.062 269 Y CA -2.045 56.183 58.100 0.213 0.000 1.023 269 Y CB 0.865 39.325 38.460 0.001 0.000 1.308 269 Y HN 0.425 nan 8.280 nan 0.000 0.457 270 R N 2.297 122.477 120.500 -0.534 0.000 2.641 270 R HA 0.570 4.910 4.340 0.000 0.000 0.269 270 R C -0.599 175.399 176.300 -0.504 0.000 1.074 270 R CA -0.640 54.815 56.100 -1.076 0.000 1.133 270 R CB 0.756 30.111 30.300 -1.575 0.000 1.029 270 R HN 0.788 nan 8.270 nan 0.000 0.488 271 R N 0.052 120.331 120.500 -0.367 0.000 2.725 271 R HA 0.504 4.844 4.340 0.000 0.000 0.277 271 R C -0.289 176.057 176.300 0.077 0.000 0.987 271 R CA -0.199 55.888 56.100 -0.023 0.000 0.901 271 R CB 2.321 32.638 30.300 0.029 0.000 1.207 271 R HN 0.904 nan 8.270 nan 0.000 0.463 272 G N 0.549 109.458 108.800 0.180 0.000 2.451 272 G HA2 -0.212 3.748 3.960 0.000 0.000 0.208 272 G HA3 -0.212 3.748 3.960 0.000 0.000 0.208 272 G C -0.987 174.001 174.900 0.146 0.000 1.248 272 G CA -0.692 44.494 45.100 0.142 0.000 0.989 272 G HN 0.406 nan 8.290 nan 0.000 0.559 273 V N 1.637 121.586 119.914 0.058 0.000 2.655 273 V HA 0.400 4.520 4.120 0.000 0.000 0.300 273 V C 1.734 177.737 176.094 -0.152 0.000 1.044 273 V CA 1.405 63.675 62.300 -0.051 0.000 1.095 273 V CB 1.272 33.080 31.823 -0.025 0.000 0.952 273 V HN 0.920 nan 8.190 nan 0.000 0.485 274 R N 2.644 122.877 120.500 -0.445 0.000 2.102 274 R HA 0.171 4.511 4.340 0.000 0.000 0.208 274 R C 0.597 176.764 176.300 -0.222 0.000 1.131 274 R CA 0.936 56.635 56.100 -0.668 0.000 1.054 274 R CB 0.526 30.155 30.300 -1.117 0.000 0.954 274 R HN 0.857 nan 8.270 nan 0.000 0.465 275 S N -0.861 114.729 115.700 -0.183 0.000 2.607 275 S HA 0.440 4.910 4.470 0.000 0.000 0.273 275 S C 0.145 174.701 174.600 -0.073 0.000 1.148 275 S CA -0.630 57.516 58.200 -0.090 0.000 0.833 275 S CB 1.646 64.799 63.200 -0.079 0.000 1.130 275 S HN 0.056 nan 8.310 nan 0.000 0.470 276 V N -1.009 118.879 119.914 -0.043 0.000 6.448 276 V HA 0.710 4.830 4.120 0.000 0.000 0.273 276 V C 0.075 176.149 176.094 -0.033 0.000 1.610 276 V CA 0.359 62.639 62.300 -0.034 0.000 0.593 276 V CB -0.056 31.755 31.823 -0.020 0.000 1.480 276 V HN 1.130 nan 8.190 nan 0.000 0.367 283 E N 3.323 123.502 120.200 -0.035 0.000 2.248 283 E HA 0.389 4.739 4.350 0.000 0.000 0.272 283 E C 0.010 176.572 176.600 -0.063 0.000 1.008 283 E CA -0.664 55.707 56.400 -0.050 0.000 0.856 283 E CB 1.505 31.177 29.700 -0.047 0.000 1.120 283 E HN 0.240 nan 8.360 nan 0.000 0.397 284 I N -0.226 120.289 120.570 -0.092 0.000 2.607 284 I HA 0.491 4.661 4.170 0.000 0.000 0.305 284 I C -0.423 175.595 176.117 -0.166 0.000 0.995 284 I CA -1.200 60.034 61.300 -0.110 0.000 1.148 284 I CB 1.182 39.112 38.000 -0.117 0.000 1.323 284 I HN 0.393 nan 8.210 nan 0.000 0.461 285 L N 3.324 124.461 121.223 -0.144 0.000 2.335 285 L HA 0.471 4.811 4.340 0.000 0.000 0.268 285 L C -0.940 175.815 176.870 -0.190 0.000 1.016 285 L CA -0.983 53.759 54.840 -0.164 0.000 0.805 285 L CB 0.942 42.971 42.059 -0.051 0.000 1.311 285 L HN 0.485 nan 8.230 nan 0.000 0.456 286 Y N 0.372 120.672 120.300 0.000 0.000 2.316 286 Y HA 0.108 4.658 4.550 0.000 0.000 0.331 286 Y C 0.837 176.732 175.900 -0.008 0.000 1.083 286 Y CA -0.082 58.023 58.100 0.008 0.000 1.206 286 Y CB 0.507 38.964 38.460 -0.005 0.000 1.195 286 Y HN 0.484 nan 8.280 nan 0.000 0.497 287 N N 3.251 122.047 118.700 0.160 0.000 2.234 287 N HA 0.120 4.860 4.740 0.000 0.000 0.227 287 N C 0.784 176.283 175.510 -0.018 0.000 1.151 287 N CA 0.053 53.135 53.050 0.053 0.000 0.865 287 N CB 0.294 38.805 38.487 0.040 0.000 1.066 287 N HN 0.688 nan 8.380 nan 0.000 0.515 288 L N 0.538 121.746 121.223 -0.024 0.000 2.017 288 L HA -0.163 4.177 4.340 0.000 0.000 0.208 288 L C 2.407 179.039 176.870 -0.398 0.000 1.073 288 L CA 1.342 56.067 54.840 -0.191 0.000 0.745 288 L CB -0.633 41.330 42.059 -0.159 0.000 0.894 288 L HN 0.351 nan 8.230 nan 0.000 0.432 289 E N 0.843 120.757 120.200 -0.477 0.000 2.045 289 E HA -0.330 4.020 4.350 0.000 0.000 0.212 289 E C 2.226 178.527 176.600 -0.499 0.000 1.039 289 E CA 2.606 58.544 56.400 -0.770 0.000 0.860 289 E CB -0.094 29.416 29.700 -0.317 0.000 0.776 289 E HN 0.491 nan 8.360 nan 0.000 0.467 290 S N 0.220 115.761 115.700 -0.265 0.000 2.399 290 S HA -0.154 4.316 4.470 0.000 0.000 0.231 290 S C 2.152 176.654 174.600 -0.164 0.000 1.022 290 S CA 1.238 59.329 58.200 -0.182 0.000 0.983 290 S CB -0.569 62.573 63.200 -0.097 0.000 0.803 290 S HN 0.342 nan 8.310 nan 0.000 0.480 291 L N 0.545 121.665 121.223 -0.171 0.000 2.027 291 L HA 0.008 4.348 4.340 0.000 0.000 0.206 291 L C 2.678 179.456 176.870 -0.153 0.000 1.074 291 L CA 1.385 56.146 54.840 -0.132 0.000 0.745 291 L CB -0.563 41.424 42.059 -0.121 0.000 0.898 291 L HN 0.302 nan 8.230 nan 0.000 0.433 292 I N -0.127 120.297 120.570 -0.244 0.000 2.252 292 I HA -0.272 3.898 4.170 0.000 0.000 0.245 292 I C 2.265 178.286 176.117 -0.160 0.000 1.102 292 I CA 1.018 62.185 61.300 -0.222 0.000 1.385 292 I CB -0.371 37.437 38.000 -0.320 0.000 1.064 292 I HN 0.337 nan 8.210 nan 0.000 0.414 293 N N 0.506 119.067 118.700 -0.231 0.000 2.120 293 N HA -0.136 4.604 4.740 0.000 0.000 0.188 293 N C 2.007 177.576 175.510 0.098 0.000 1.024 293 N CA 1.497 54.456 53.050 -0.151 0.000 0.852 293 N CB -0.333 37.880 38.487 -0.457 0.000 1.003 293 N HN 0.203 nan 8.380 nan 0.000 0.424 294 S N 0.758 116.470 115.700 0.020 0.000 2.399 294 S HA -0.016 4.454 4.470 0.000 0.000 0.231 294 S C 2.054 176.660 174.600 0.011 0.000 1.022 294 S CA 0.967 59.193 58.200 0.042 0.000 0.983 294 S CB -0.170 63.026 63.200 -0.006 0.000 0.803 294 S HN 0.491 nan 8.310 nan 0.000 0.480 295 A N 0.999 123.816 122.820 -0.005 0.000 1.930 295 A HA -0.000 4.320 4.320 0.000 0.000 0.217 295 A C 2.302 179.898 177.584 0.021 0.000 1.175 295 A CA 1.225 53.258 52.037 -0.007 0.000 0.627 295 A CB -0.737 18.249 19.000 -0.024 0.000 0.815 295 A HN 0.343 nan 8.150 nan 0.000 0.443 296 V N -2.343 117.605 119.914 0.057 0.000 2.358 296 V HA 0.019 4.139 4.120 0.000 0.000 0.246 296 V C 0.811 176.983 176.094 0.130 0.000 1.047 296 V CA 1.744 64.089 62.300 0.075 0.000 1.035 296 V CB -0.568 31.325 31.823 0.116 0.000 0.658 296 V HN 0.528 nan 8.190 nan 0.000 0.452 297 F N 0.468 120.425 119.950 0.012 0.000 2.635 297 F HA 0.494 5.021 4.527 0.000 0.000 0.314 297 F C -2.507 173.293 175.800 0.000 0.000 1.119 297 F CA -1.818 56.142 58.000 -0.067 0.000 1.000 297 F CB 2.061 40.911 39.000 -0.251 0.000 1.278 297 F HN -0.159 nan 8.300 nan 0.000 0.446 298 P HA 0.149 nan 4.420 nan 0.000 0.256 298 P C 0.833 177.821 177.300 -0.521 0.000 1.335 298 P CA 0.668 62.911 63.100 -1.428 0.000 0.808 298 P CB 0.175 31.240 31.700 -1.059 0.000 1.305 299 G N 1.210 109.856 108.800 -0.256 0.000 2.575 299 G HA2 -0.168 3.792 3.960 0.000 0.000 0.215 299 G HA3 -0.168 3.792 3.960 0.000 0.000 0.215 299 G C 1.282 176.152 174.900 -0.050 0.000 1.262 299 G CA 0.634 45.669 45.100 -0.108 0.000 0.807 299 G HN 0.264 nan 8.290 nan 0.000 0.567 300 L N -0.592 120.632 121.223 0.003 0.000 2.425 300 L HA 0.307 4.647 4.340 0.000 0.000 0.215 300 L C 1.565 178.477 176.870 0.070 0.000 1.065 300 L CA 0.189 55.057 54.840 0.046 0.000 0.842 300 L CB 0.123 42.236 42.059 0.091 0.000 1.033 300 L HN 0.206 nan 8.230 nan 0.000 0.474 301 Q N -1.145 118.703 119.800 0.080 0.000 2.286 301 Q HA 0.513 4.853 4.340 0.000 0.000 0.250 301 Q C 0.048 176.237 176.000 0.316 0.000 1.021 301 Q CA -0.204 55.682 55.803 0.139 0.000 0.930 301 Q CB 1.752 30.380 28.738 -0.182 0.000 1.266 301 Q HN 0.119 nan 8.270 nan 0.000 0.491 302 G N -0.519 108.487 108.800 0.344 0.000 3.414 302 G HA2 0.458 4.418 3.960 0.000 0.000 0.189 302 G HA3 0.458 4.418 3.960 0.000 0.000 0.189 302 G C -0.347 174.658 174.900 0.176 0.000 1.329 302 G CA -0.273 45.041 45.100 0.355 0.000 0.851 302 G HN 0.589 nan 8.290 nan 0.000 0.671 303 G N 1.843 110.819 108.800 0.293 0.000 2.340 303 G HA2 0.473 4.433 3.960 0.000 0.000 0.245 303 G HA3 0.473 4.433 3.960 0.000 0.000 0.245 303 G C -2.071 172.891 174.900 0.104 0.000 1.294 303 G CA -0.337 44.814 45.100 0.085 0.000 0.896 303 G HN 0.369 nan 8.290 nan 0.000 0.522 304 P HA 0.105 nan 4.420 nan 0.000 0.274 304 P C -0.797 176.666 177.300 0.271 0.000 1.237 304 P CA -0.333 62.818 63.100 0.084 0.000 0.793 304 P CB 0.882 32.532 31.700 -0.084 0.000 0.977 305 H N 1.720 120.846 119.070 0.093 0.000 2.914 305 H HA 0.194 4.750 4.556 0.000 0.000 0.264 305 H C 1.388 176.668 175.328 -0.080 0.000 1.433 305 H CA -0.238 55.806 56.048 -0.007 0.000 1.342 305 H CB -0.728 28.947 29.762 -0.145 0.000 1.582 305 H HN 0.325 nan 8.280 nan 0.000 0.525 306 N N 1.476 120.268 118.700 0.153 0.000 2.223 306 N HA -0.160 4.580 4.740 0.000 0.000 0.185 306 N C 1.768 177.338 175.510 0.100 0.000 1.016 306 N CA 0.936 54.045 53.050 0.098 0.000 0.863 306 N CB 0.039 38.578 38.487 0.087 0.000 0.983 306 N HN 0.716 nan 8.380 nan 0.000 0.429 307 H N 0.046 119.121 119.070 0.010 0.000 2.387 307 H HA 0.118 4.674 4.556 0.000 0.000 0.299 307 H C 1.808 177.149 175.328 0.022 0.000 1.090 307 H CA 1.284 57.332 56.048 0.000 0.000 1.332 307 H CB -0.658 29.088 29.762 -0.026 0.000 1.386 307 H HN 0.129 nan 8.280 nan 0.000 0.516 308 A N 1.554 124.121 122.820 -0.422 0.000 1.968 308 A HA 0.060 4.380 4.320 0.000 0.000 0.217 308 A C 2.681 180.216 177.584 -0.082 0.000 1.169 308 A CA 0.852 52.749 52.037 -0.233 0.000 0.638 308 A CB -0.684 18.170 19.000 -0.243 0.000 0.812 308 A HN 0.346 nan 8.150 nan 0.000 0.446 309 I N -0.360 120.177 120.570 -0.055 0.000 2.394 309 I HA -0.230 3.940 4.170 0.000 0.000 0.251 309 I C 2.880 178.992 176.117 -0.008 0.000 1.136 309 I CA 0.903 62.191 61.300 -0.020 0.000 1.425 309 I CB -0.199 37.797 38.000 -0.007 0.000 1.079 309 I HN 0.359 nan 8.210 nan 0.000 0.425 310 A N 0.824 123.646 122.820 0.003 0.000 1.898 310 A HA -0.069 4.251 4.320 0.000 0.000 0.216 310 A C 2.433 180.018 177.584 0.000 0.000 1.181 310 A CA 1.657 53.699 52.037 0.008 0.000 0.620 310 A CB -1.311 17.703 19.000 0.024 0.000 0.819 310 A HN 0.431 nan 8.150 nan 0.000 0.442 311 G N -0.389 108.411 108.800 -0.001 0.000 2.446 311 G HA2 -0.144 3.816 3.960 0.000 0.000 0.217 311 G HA3 -0.144 3.816 3.960 0.000 0.000 0.217 311 G C 1.513 176.411 174.900 -0.004 0.000 1.168 311 G CA 1.305 46.405 45.100 -0.001 0.000 0.771 311 G HN 0.308 nan 8.290 nan 0.000 0.551 312 V N 1.579 121.490 119.914 -0.005 0.000 2.343 312 V HA -0.138 3.982 4.120 0.000 0.000 0.247 312 V C 3.333 179.418 176.094 -0.015 0.000 1.051 312 V CA 2.007 64.306 62.300 -0.002 0.000 1.036 312 V CB -0.906 30.918 31.823 0.001 0.000 0.654 312 V HN 0.495 nan 8.190 nan 0.000 0.451 313 A N -0.025 122.785 122.820 -0.016 0.000 1.865 313 A HA -0.200 4.120 4.320 0.000 0.000 0.217 313 A C 2.408 179.971 177.584 -0.035 0.000 1.191 313 A CA 2.337 54.360 52.037 -0.022 0.000 0.623 313 A CB -0.876 18.115 19.000 -0.014 0.000 0.826 313 A HN 0.328 nan 8.150 nan 0.000 0.444 314 V N -0.102 119.795 119.914 -0.029 0.000 2.282 314 V HA -0.303 3.817 4.120 0.000 0.000 0.249 314 V C 3.048 179.107 176.094 -0.058 0.000 1.057 314 V CA 2.163 64.441 62.300 -0.036 0.000 1.032 314 V CB -1.315 30.495 31.823 -0.022 0.000 0.645 314 V HN 0.647 nan 8.190 nan 0.000 0.447 315 A N -0.551 122.235 122.820 -0.056 0.000 1.972 315 A HA -0.125 4.195 4.320 0.000 0.000 0.219 315 A C 2.200 179.682 177.584 -0.171 0.000 1.169 315 A CA 1.640 53.622 52.037 -0.091 0.000 0.635 315 A CB -0.484 18.487 19.000 -0.048 0.000 0.810 315 A HN 0.526 nan 8.150 nan 0.000 0.446 316 L N -0.811 120.335 121.223 -0.127 0.000 2.141 316 L HA -0.150 4.190 4.340 0.000 0.000 0.209 316 L C 2.583 179.341 176.870 -0.188 0.000 1.094 316 L CA 1.717 56.462 54.840 -0.159 0.000 0.763 316 L CB -0.337 41.677 42.059 -0.075 0.000 0.908 316 L HN 0.472 nan 8.230 nan 0.000 0.437 317 K N 0.170 120.489 120.400 -0.135 0.000 2.025 317 K HA -0.197 4.123 4.320 0.000 0.000 0.207 317 K C 2.107 178.621 176.600 -0.144 0.000 1.049 317 K CA 1.320 57.537 56.287 -0.115 0.000 0.933 317 K CB 0.012 32.468 32.500 -0.073 0.000 0.714 317 K HN 0.303 nan 8.250 nan 0.000 0.438 318 Q N -0.345 119.359 119.800 -0.160 0.000 2.170 318 Q HA -0.102 4.238 4.340 0.000 0.000 0.203 318 Q C 1.915 177.724 176.000 -0.319 0.000 0.976 318 Q CA 1.311 57.020 55.803 -0.157 0.000 0.858 318 Q CB -0.055 28.614 28.738 -0.114 0.000 0.907 318 Q HN 0.422 nan 8.270 nan 0.000 0.433 319 A N 0.113 122.559 122.820 -0.624 0.000 2.168 319 A HA -0.055 4.265 4.320 0.000 0.000 0.215 319 A C 1.736 179.013 177.584 -0.512 0.000 1.152 319 A CA 0.780 52.070 52.037 -1.245 0.000 0.716 319 A CB -0.177 18.112 19.000 -1.185 0.000 0.794 319 A HN 0.283 nan 8.150 nan 0.000 0.465 320 M N 0.366 119.805 119.600 -0.268 0.000 2.495 320 M HA 0.029 4.509 4.480 0.000 0.000 0.237 320 M C 0.792 177.069 176.300 -0.038 0.000 1.131 320 M CA 0.434 55.653 55.300 -0.135 0.000 1.032 320 M CB -0.043 32.477 32.600 -0.134 0.000 1.513 320 M HN 0.470 nan 8.290 nan 0.000 0.488 321 T N -1.377 113.176 114.554 -0.002 0.000 2.913 321 T HA 0.198 4.548 4.350 0.000 0.000 0.297 321 T C -1.637 173.124 174.700 0.102 0.000 1.029 321 T CA -1.613 60.514 62.100 0.046 0.000 1.104 321 T CB 0.885 69.784 68.868 0.052 0.000 0.964 321 T HN 0.014 nan 8.240 nan 0.000 0.532 322 P HA -0.079 nan 4.420 nan 0.000 0.220 322 P C 0.929 178.286 177.300 0.094 0.000 1.148 322 P CA 1.008 64.150 63.100 0.071 0.000 0.803 322 P CB 0.217 31.942 31.700 0.042 0.000 0.782 323 E N -0.589 119.674 120.200 0.104 0.000 2.077 323 E HA -0.145 4.205 4.350 0.000 0.000 0.193 323 E C 1.795 178.495 176.600 0.166 0.000 0.989 323 E CA 0.983 57.450 56.400 0.111 0.000 0.800 323 E CB -1.168 28.588 29.700 0.093 0.000 0.746 323 E HN 0.239 nan 8.360 nan 0.000 0.452 324 F N 1.187 121.172 119.950 0.058 0.000 2.146 324 F HA -0.121 4.407 4.527 0.000 0.000 0.298 324 F C 2.066 177.953 175.800 0.145 0.000 1.096 324 F CA 1.285 59.348 58.000 0.106 0.000 1.275 324 F CB 0.051 39.076 39.000 0.041 0.000 1.008 324 F HN -0.161 nan 8.300 nan 0.000 0.480 325 K N 0.632 121.156 120.400 0.206 0.000 2.032 325 K HA -0.257 4.063 4.320 0.000 0.000 0.209 325 K C 2.099 178.699 176.600 -0.002 0.000 1.048 325 K CA 1.854 58.194 56.287 0.088 0.000 0.927 325 K CB -0.434 32.115 32.500 0.083 0.000 0.712 325 K HN 0.237 nan 8.250 nan 0.000 0.441 326 E N -0.713 119.505 120.200 0.030 0.000 2.110 326 E HA -0.214 4.136 4.350 0.000 0.000 0.193 326 E C 1.878 178.470 176.600 -0.014 0.000 0.988 326 E CA 1.282 57.689 56.400 0.011 0.000 0.804 326 E CB -0.499 29.225 29.700 0.040 0.000 0.745 326 E HN 0.447 nan 8.360 nan 0.000 0.458 327 Y N 0.824 121.041 120.300 -0.138 0.000 2.128 327 Y HA -0.233 4.317 4.550 0.000 0.000 0.284 327 Y C 2.176 177.939 175.900 -0.229 0.000 1.154 327 Y CA 2.317 60.305 58.100 -0.186 0.000 1.149 327 Y CB -0.625 37.663 38.460 -0.288 0.000 0.976 327 Y HN 0.087 nan 8.280 nan 0.000 0.505 328 Q N 0.445 119.917 119.800 -0.547 0.000 2.167 328 Q HA -0.098 4.242 4.340 0.000 0.000 0.202 328 Q C 2.303 178.096 176.000 -0.345 0.000 0.970 328 Q CA 1.594 57.053 55.803 -0.574 0.000 0.855 328 Q CB -0.157 28.354 28.738 -0.379 0.000 0.911 328 Q HN 0.480 nan 8.270 nan 0.000 0.438 329 R N -0.688 119.681 120.500 -0.218 0.000 2.075 329 R HA -0.158 4.182 4.340 0.000 0.000 0.232 329 R C 2.164 178.369 176.300 -0.159 0.000 1.126 329 R CA 1.412 57.428 56.100 -0.141 0.000 0.963 329 R CB -0.169 30.083 30.300 -0.080 0.000 0.858 329 R HN 0.226 nan 8.270 nan 0.000 0.435 330 Q N 0.938 120.630 119.800 -0.180 0.000 2.124 330 Q HA -0.097 4.243 4.340 0.000 0.000 0.202 330 Q C 1.986 177.855 176.000 -0.218 0.000 0.977 330 Q CA 1.377 57.091 55.803 -0.148 0.000 0.850 330 Q CB -0.176 28.510 28.738 -0.087 0.000 0.901 330 Q HN 0.096 nan 8.270 nan 0.000 0.429 331 V N -0.719 118.977 119.914 -0.365 0.000 2.255 331 V HA -0.261 3.859 4.120 0.000 0.000 0.247 331 V C 2.206 178.146 176.094 -0.257 0.000 1.051 331 V CA 1.793 63.877 62.300 -0.359 0.000 1.018 331 V CB -0.598 30.928 31.823 -0.494 0.000 0.641 331 V HN 0.261 nan 8.190 nan 0.000 0.445 332 V N -0.056 119.734 119.914 -0.206 0.000 2.427 332 V HA -0.208 3.912 4.120 0.000 0.000 0.248 332 V C 2.594 178.597 176.094 -0.152 0.000 1.051 332 V CA 1.826 64.038 62.300 -0.146 0.000 1.048 332 V CB -0.866 30.895 31.823 -0.102 0.000 0.666 332 V HN 0.568 nan 8.190 nan 0.000 0.456 333 A N 0.178 122.911 122.820 -0.146 0.000 1.930 333 A HA -0.184 4.136 4.320 0.000 0.000 0.217 333 A C 2.073 179.562 177.584 -0.159 0.000 1.175 333 A CA 1.748 53.715 52.037 -0.117 0.000 0.627 333 A CB -0.557 18.396 19.000 -0.078 0.000 0.815 333 A HN 0.575 nan 8.150 nan 0.000 0.443 334 N N -0.204 118.347 118.700 -0.248 0.000 2.084 334 N HA -0.160 4.580 4.740 0.000 0.000 0.190 334 N C 1.836 177.016 175.510 -0.550 0.000 1.030 334 N CA 1.494 54.270 53.050 -0.458 0.000 0.849 334 N CB -1.040 36.961 38.487 -0.809 0.000 1.012 334 N HN 0.568 nan 8.380 nan 0.000 0.423 335 C N 1.662 120.694 119.300 -0.447 0.000 2.413 335 C HA -0.024 4.436 4.460 0.000 0.000 0.276 335 C C 2.730 177.592 174.990 -0.214 0.000 1.248 335 C CA 0.722 59.541 59.018 -0.332 0.000 1.742 335 C CB -0.883 26.717 27.740 -0.234 0.000 2.017 335 C HN 0.397 nan 8.230 nan 0.000 0.481 336 R N 0.312 120.713 120.500 -0.166 0.000 2.091 336 R HA -0.113 4.227 4.340 0.000 0.000 0.238 336 R C 2.461 178.710 176.300 -0.086 0.000 1.136 336 R CA 1.754 57.790 56.100 -0.107 0.000 0.959 336 R CB -0.484 29.766 30.300 -0.083 0.000 0.856 336 R HN 0.644 nan 8.270 nan 0.000 0.437 337 A N 1.004 123.771 122.820 -0.088 0.000 1.873 337 A HA -0.153 4.167 4.320 0.000 0.000 0.215 337 A C 2.059 179.635 177.584 -0.014 0.000 1.186 337 A CA 1.079 53.097 52.037 -0.032 0.000 0.616 337 A CB -0.536 18.467 19.000 0.005 0.000 0.823 337 A HN 0.276 nan 8.150 nan 0.000 0.442 338 L N -0.154 121.039 121.223 -0.049 0.000 2.042 338 L HA -0.122 4.218 4.340 0.000 0.000 0.210 338 L C 2.517 179.365 176.870 -0.036 0.000 1.076 338 L CA 2.699 57.542 54.840 0.004 0.000 0.749 338 L CB -0.818 41.222 42.059 -0.033 0.000 0.893 338 L HN 0.328 nan 8.230 nan 0.000 0.432 339 S N -0.840 114.817 115.700 -0.071 0.000 2.356 339 S HA -0.154 4.316 4.470 0.000 0.000 0.223 339 S C 2.141 176.717 174.600 -0.041 0.000 1.032 339 S CA 1.238 59.399 58.200 -0.066 0.000 1.005 339 S CB -0.517 62.635 63.200 -0.080 0.000 0.867 339 S HN 0.693 nan 8.310 nan 0.000 0.449 340 A N 1.229 124.029 122.820 -0.033 0.000 1.902 340 A HA 0.195 4.515 4.320 0.000 0.000 0.217 340 A C 2.425 180.002 177.584 -0.011 0.000 1.181 340 A CA 1.841 53.866 52.037 -0.019 0.000 0.623 340 A CB -1.292 17.700 19.000 -0.014 0.000 0.818 340 A HN 0.730 nan 8.150 nan 0.000 0.443 341 A N -0.449 122.366 122.820 -0.008 0.000 1.933 341 A HA 0.001 4.321 4.320 0.000 0.000 0.218 341 A C 2.147 179.701 177.584 -0.051 0.000 1.175 341 A CA 1.427 53.458 52.037 -0.009 0.000 0.628 341 A CB -0.498 18.514 19.000 0.020 0.000 0.814 341 A HN 0.470 nan 8.150 nan 0.000 0.444 342 L N -0.838 120.353 121.223 -0.053 0.000 2.109 342 L HA -0.100 4.240 4.340 0.000 0.000 0.207 342 L C 2.478 179.399 176.870 0.084 0.000 1.086 342 L CA 0.633 55.444 54.840 -0.048 0.000 0.760 342 L CB -0.352 41.622 42.059 -0.143 0.000 0.910 342 L HN 0.236 nan 8.230 nan 0.000 0.437 343 V N 0.024 119.957 119.914 0.033 0.000 2.343 343 V HA -0.301 3.819 4.120 0.000 0.000 0.247 343 V C 2.436 178.534 176.094 0.007 0.000 1.051 343 V CA 1.977 64.296 62.300 0.032 0.000 1.036 343 V CB -0.363 31.462 31.823 0.005 0.000 0.654 343 V HN 0.501 nan 8.190 nan 0.000 0.451 344 E N -0.151 120.044 120.200 -0.009 0.000 2.204 344 E HA -0.187 4.163 4.350 0.000 0.000 0.195 344 E C 1.929 178.496 176.600 -0.055 0.000 0.990 344 E CA 0.946 57.331 56.400 -0.025 0.000 0.821 344 E CB -0.073 29.618 29.700 -0.015 0.000 0.750 344 E HN 0.567 nan 8.360 nan 0.000 0.477 345 L N -0.559 120.623 121.223 -0.069 0.000 2.599 345 L HA 0.139 4.479 4.340 0.000 0.000 0.230 345 L C 1.272 178.033 176.870 -0.183 0.000 1.141 345 L CA 0.483 55.222 54.840 -0.168 0.000 0.877 345 L CB 0.212 42.115 42.059 -0.259 0.000 1.009 345 L HN 0.428 nan 8.230 nan 0.000 0.447 346 G N -1.478 107.257 108.800 -0.109 0.000 2.141 346 G HA2 -0.300 3.660 3.960 0.000 0.000 0.231 346 G HA3 -0.300 3.660 3.960 0.000 0.000 0.231 346 G C -0.079 174.677 174.900 -0.239 0.000 0.984 346 G CA -0.495 44.500 45.100 -0.176 0.000 0.660 346 G HN 0.230 nan 8.290 nan 0.000 0.525 347 Y N -0.005 120.251 120.300 -0.074 0.000 2.301 347 Y HA 0.598 5.148 4.550 0.000 0.000 0.325 347 Y C 0.725 176.599 175.900 -0.044 0.000 1.203 347 Y CA -0.452 57.618 58.100 -0.049 0.000 1.255 347 Y CB 1.147 39.577 38.460 -0.049 0.000 1.232 347 Y HN 0.063 nan 8.280 nan 0.000 0.501 348 K N 3.374 123.840 120.400 0.109 0.000 2.234 348 K HA 0.386 4.706 4.320 0.000 0.000 0.277 348 K C -1.515 175.111 176.600 0.043 0.000 1.038 348 K CA -0.180 56.135 56.287 0.047 0.000 0.888 348 K CB 0.158 32.667 32.500 0.016 0.000 1.091 348 K HN 0.459 nan 8.250 nan 0.000 0.467 349 I N 5.451 126.028 120.570 0.011 0.000 2.359 349 I HA 0.228 4.398 4.170 0.000 0.000 0.294 349 I C -0.029 176.060 176.117 -0.047 0.000 0.987 349 I CA -1.076 60.209 61.300 -0.024 0.000 1.225 349 I CB 1.399 39.374 38.000 -0.042 0.000 1.366 349 I HN 0.351 nan 8.210 nan 0.000 0.466 350 V N 5.696 125.568 119.914 -0.070 0.000 2.673 350 V HA 0.061 4.181 4.120 0.000 0.000 0.303 350 V C 1.353 177.361 176.094 -0.144 0.000 1.046 350 V CA 0.907 63.152 62.300 -0.091 0.000 1.126 350 V CB 0.387 32.149 31.823 -0.102 0.000 0.934 350 V HN 1.104 nan 8.190 nan 0.000 0.487 351 T N 0.997 115.476 114.554 -0.125 0.000 5.221 351 T HA -0.246 4.104 4.350 0.000 0.000 0.299 351 T C 1.432 176.103 174.700 -0.049 0.000 1.489 351 T CA 1.432 63.447 62.100 -0.142 0.000 2.593 351 T CB -2.010 66.554 68.868 -0.508 0.000 1.859 351 T HN 2.700 nan 8.240 nan 0.000 0.982 352 G N -0.634 108.143 108.800 -0.039 0.000 2.270 352 G HA2 0.208 4.168 3.960 0.000 0.000 0.268 352 G HA3 0.208 4.168 3.960 0.000 0.000 0.268 352 G C 1.333 176.209 174.900 -0.040 0.000 0.982 352 G CA 0.884 45.971 45.100 -0.021 0.000 0.628 352 G HN 2.491 nan 8.290 nan 0.000 0.544 353 G N -2.081 106.674 108.800 -0.076 0.000 2.435 353 G HA2 0.726 4.686 3.960 0.000 0.000 0.296 353 G HA3 0.726 4.686 3.960 0.000 0.000 0.296 353 G C -0.783 174.037 174.900 -0.134 0.000 1.240 353 G CA 0.896 45.945 45.100 -0.086 0.000 0.872 353 G HN 1.716 nan 8.290 nan 0.000 0.480 354 S N -1.543 114.084 115.700 -0.121 0.000 2.607 354 S HA 0.612 5.082 4.470 0.000 0.000 0.273 354 S C -1.103 173.435 174.600 -0.103 0.000 1.148 354 S CA -0.141 57.969 58.200 -0.149 0.000 0.833 354 S CB 2.043 65.146 63.200 -0.162 0.000 1.130 354 S HN 0.402 nan 8.310 nan 0.000 0.470 355 D N 1.103 121.445 120.400 -0.096 0.000 2.441 355 D HA 0.196 4.836 4.640 0.000 0.000 0.210 355 D C 0.357 176.644 176.300 -0.023 0.000 1.102 355 D CA 0.380 54.353 54.000 -0.045 0.000 0.840 355 D CB 0.214 41.002 40.800 -0.020 0.000 0.990 355 D HN 0.659 nan 8.370 nan 0.000 0.505 356 N N -0.452 118.231 118.700 -0.029 0.000 3.492 356 N HA -0.014 4.726 4.740 0.000 0.000 0.352 356 N C 0.953 176.480 175.510 0.028 0.000 1.517 356 N CA -0.381 52.700 53.050 0.052 0.000 0.629 356 N CB -0.359 38.242 38.487 0.190 0.000 2.162 356 N HN -0.166 nan 8.380 nan 0.000 0.598 357 H N -0.825 118.201 119.070 -0.072 0.000 2.539 357 H HA 0.326 4.882 4.556 0.000 0.000 0.267 357 H C -0.116 175.162 175.328 -0.083 0.000 0.982 357 H CA -0.155 55.839 56.048 -0.090 0.000 1.146 357 H CB -0.664 29.071 29.762 -0.046 0.000 1.382 357 H HN 0.518 nan 8.280 nan 0.000 0.577 358 L N -0.625 120.303 121.223 -0.492 0.000 2.403 358 L HA 0.696 5.036 4.340 0.000 0.000 0.253 358 L C -0.878 175.828 176.870 -0.274 0.000 1.045 358 L CA -1.694 52.903 54.840 -0.405 0.000 0.845 358 L CB 2.244 43.975 42.059 -0.547 0.000 1.447 358 L HN 0.053 nan 8.230 nan 0.000 0.411 359 I N -0.935 119.510 120.570 -0.209 0.000 2.802 359 I HA 0.696 4.866 4.170 0.000 0.000 0.298 359 I C -1.653 174.380 176.117 -0.140 0.000 1.176 359 I CA -1.073 60.124 61.300 -0.171 0.000 1.025 359 I CB 2.321 40.238 38.000 -0.138 0.000 1.243 359 I HN 0.696 nan 8.210 nan 0.000 0.424 360 L N 5.875 127.021 121.223 -0.129 0.000 2.276 360 L HA 0.559 4.899 4.340 0.000 0.000 0.286 360 L C -0.866 175.963 176.870 -0.068 0.000 1.024 360 L CA -0.372 54.411 54.840 -0.095 0.000 0.826 360 L CB 1.403 43.405 42.059 -0.095 0.000 1.211 360 L HN 0.510 nan 8.230 nan 0.000 0.422 361 V N 4.520 124.405 119.914 -0.049 0.000 2.385 361 V HA 0.233 4.353 4.120 0.000 0.000 0.269 361 V C 0.018 176.122 176.094 0.018 0.000 1.043 361 V CA -0.606 61.687 62.300 -0.013 0.000 0.906 361 V CB 1.009 32.813 31.823 -0.032 0.000 0.995 361 V HN 0.681 nan 8.190 nan 0.000 0.467 362 D N 4.646 125.064 120.400 0.030 0.000 2.352 362 D HA 0.162 4.802 4.640 0.000 0.000 0.245 362 D C 0.844 177.182 176.300 0.063 0.000 1.224 362 D CA 0.015 54.031 54.000 0.027 0.000 0.879 362 D CB 1.129 41.935 40.800 0.011 0.000 1.057 362 D HN 0.488 nan 8.370 nan 0.000 0.491 363 L N 3.596 124.855 121.223 0.060 0.000 2.610 363 L HA 0.074 4.414 4.340 0.000 0.000 0.232 363 L C 2.297 179.184 176.870 0.028 0.000 1.149 363 L CA 0.084 54.973 54.840 0.082 0.000 0.872 363 L CB -0.020 42.083 42.059 0.075 0.000 0.992 363 L HN 0.254 nan 8.230 nan 0.000 0.447 364 R N 0.090 120.594 120.500 0.007 0.000 2.152 364 R HA -0.125 4.215 4.340 0.000 0.000 0.232 364 R C 2.409 178.696 176.300 -0.022 0.000 1.117 364 R CA 1.485 57.578 56.100 -0.011 0.000 0.981 364 R CB -0.211 30.081 30.300 -0.013 0.000 0.870 364 R HN 0.427 nan 8.270 nan 0.000 0.451 365 S N 0.179 115.864 115.700 -0.025 0.000 2.595 365 S HA -0.010 4.460 4.470 0.000 0.000 0.235 365 S C 1.152 175.689 174.600 -0.106 0.000 0.974 365 S CA 0.794 58.957 58.200 -0.061 0.000 0.942 365 S CB 0.207 63.367 63.200 -0.066 0.000 0.766 365 S HN 0.087 nan 8.310 nan 0.000 0.536 366 K N 0.162 120.517 120.400 -0.076 0.000 2.520 366 K HA 0.309 4.629 4.320 0.000 0.000 0.206 366 K C 0.888 177.467 176.600 -0.034 0.000 1.122 366 K CA 0.407 56.645 56.287 -0.083 0.000 1.045 366 K CB 0.516 32.968 32.500 -0.080 0.000 0.932 366 K HN 0.429 nan 8.250 nan 0.000 0.571 367 G N 1.940 110.723 108.800 -0.029 0.000 2.198 367 G HA2 -0.262 3.698 3.960 0.000 0.000 0.257 367 G HA3 -0.262 3.698 3.960 0.000 0.000 0.257 367 G C 0.153 175.038 174.900 -0.025 0.000 1.042 367 G CA 1.239 46.325 45.100 -0.024 0.000 0.791 367 G HN 0.370 nan 8.290 nan 0.000 0.502 368 T N -0.794 113.745 114.554 -0.025 0.000 2.645 368 T HA 0.609 4.959 4.350 0.000 0.000 0.300 368 T C -1.652 173.017 174.700 -0.051 0.000 1.210 368 T CA 0.283 62.354 62.100 -0.048 0.000 1.034 368 T CB 1.648 70.493 68.868 -0.039 0.000 1.537 368 T HN 0.543 nan 8.240 nan 0.000 0.492 369 D N -0.686 119.661 120.400 -0.087 0.000 2.523 369 D HA 0.373 5.013 4.640 0.000 0.000 0.236 369 D C 1.047 177.303 176.300 -0.073 0.000 1.094 369 D CA -0.517 53.438 54.000 -0.076 0.000 0.942 369 D CB 1.464 42.207 40.800 -0.096 0.000 1.447 369 D HN 0.722 nan 8.370 nan 0.000 0.479 370 G N -0.085 108.686 108.800 -0.049 0.000 2.448 370 G HA2 -0.124 3.836 3.960 0.000 0.000 0.219 370 G HA3 -0.124 3.836 3.960 0.000 0.000 0.219 370 G C 1.319 176.189 174.900 -0.050 0.000 1.127 370 G CA 0.946 46.025 45.100 -0.036 0.000 0.766 370 G HN 0.602 nan 8.290 nan 0.000 0.552 371 G N 0.801 109.555 108.800 -0.076 0.000 2.459 371 G HA2 -0.201 3.759 3.960 0.000 0.000 0.217 371 G HA3 -0.201 3.759 3.960 0.000 0.000 0.217 371 G C 1.960 176.794 174.900 -0.110 0.000 1.183 371 G CA 0.802 45.854 45.100 -0.081 0.000 0.776 371 G HN 0.465 nan 8.290 nan 0.000 0.552 372 R N 0.369 120.723 120.500 -0.244 0.000 2.093 372 R HA 0.228 4.569 4.340 0.000 0.000 0.224 372 R C 3.020 179.284 176.300 -0.060 0.000 1.101 372 R CA 0.845 56.703 56.100 -0.403 0.000 0.979 372 R CB -0.309 29.329 30.300 -1.103 0.000 0.877 372 R HN 0.331 nan 8.270 nan 0.000 0.441 373 A N 2.280 125.070 122.820 -0.051 0.000 1.877 373 A HA -0.248 4.072 4.320 0.000 0.000 0.216 373 A C 2.108 179.722 177.584 0.050 0.000 1.186 373 A CA 1.822 53.876 52.037 0.028 0.000 0.620 373 A CB -0.532 18.479 19.000 0.018 0.000 0.822 373 A HN 0.551 nan 8.150 nan 0.000 0.443 374 E N -0.641 119.577 120.200 0.030 0.000 2.118 374 E HA -0.247 4.103 4.350 0.000 0.000 0.195 374 E C 1.694 178.329 176.600 0.059 0.000 0.992 374 E CA 1.347 57.769 56.400 0.037 0.000 0.804 374 E CB -0.216 29.497 29.700 0.022 0.000 0.741 374 E HN 0.320 nan 8.360 nan 0.000 0.458 375 K N 0.740 121.193 120.400 0.088 0.000 2.103 375 K HA -0.019 4.301 4.320 0.000 0.000 0.204 375 K C 2.267 178.928 176.600 0.102 0.000 1.052 375 K CA 0.967 57.318 56.287 0.107 0.000 0.945 375 K CB -0.210 32.386 32.500 0.161 0.000 0.722 375 K HN 0.148 nan 8.250 nan 0.000 0.443 376 V N 1.710 121.705 119.914 0.134 0.000 2.379 376 V HA -0.176 3.944 4.120 0.000 0.000 0.245 376 V C 2.424 178.555 176.094 0.062 0.000 1.044 376 V CA 1.252 63.610 62.300 0.096 0.000 1.036 376 V CB -0.438 31.462 31.823 0.129 0.000 0.664 376 V HN 0.159 nan 8.190 nan 0.000 0.453 377 L N -0.009 121.252 121.223 0.062 0.000 2.083 377 L HA -0.201 4.139 4.340 0.000 0.000 0.209 377 L C 2.620 179.512 176.870 0.037 0.000 1.083 377 L CA 1.898 56.767 54.840 0.048 0.000 0.752 377 L CB -0.529 41.559 42.059 0.048 0.000 0.899 377 L HN 0.447 nan 8.230 nan 0.000 0.433 378 E N 0.558 120.782 120.200 0.040 0.000 2.077 378 E HA -0.251 4.099 4.350 0.000 0.000 0.193 378 E C 2.190 178.804 176.600 0.023 0.000 0.989 378 E CA 1.196 57.615 56.400 0.033 0.000 0.800 378 E CB -0.007 29.714 29.700 0.036 0.000 0.746 378 E HN 0.458 nan 8.360 nan 0.000 0.452 379 A N 0.121 122.955 122.820 0.023 0.000 2.070 379 A HA -0.149 4.171 4.320 0.000 0.000 0.220 379 A C 2.090 179.676 177.584 0.004 0.000 1.159 379 A CA 1.158 53.202 52.037 0.012 0.000 0.656 379 A CB -0.452 18.553 19.000 0.009 0.000 0.800 379 A HN 0.474 nan 8.150 nan 0.000 0.453 380 C N -0.453 118.850 119.300 0.005 0.000 2.625 380 C HA 0.378 4.838 4.460 0.000 0.000 0.285 380 C C 1.379 176.352 174.990 -0.028 0.000 1.279 380 C CA 0.386 59.396 59.018 -0.014 0.000 1.698 380 C CB -1.497 26.237 27.740 -0.009 0.000 1.821 380 C HN 0.631 nan 8.230 nan 0.000 0.600 381 S N 0.261 115.956 115.700 -0.008 0.000 3.490 381 S HA -0.182 4.288 4.470 0.000 0.000 0.301 381 S C -0.079 174.525 174.600 0.007 0.000 1.233 381 S CA 0.575 58.773 58.200 -0.003 0.000 0.914 381 S CB -1.531 61.658 63.200 -0.018 0.000 1.047 381 S HN 0.744 nan 8.310 nan 0.000 0.602 382 I N 1.592 122.171 120.570 0.016 0.000 2.328 382 I HA 0.556 4.727 4.170 0.000 0.000 0.287 382 I C 0.394 176.538 176.117 0.046 0.000 1.012 382 I CA -0.352 60.970 61.300 0.037 0.000 1.195 382 I CB 1.364 39.392 38.000 0.046 0.000 1.350 382 I HN 0.314 nan 8.210 nan 0.000 0.464 383 A N 6.476 129.329 122.820 0.054 0.000 2.309 383 A HA 0.786 5.106 4.320 0.000 0.000 0.298 383 A C -0.128 177.488 177.584 0.054 0.000 1.165 383 A CA -0.300 51.768 52.037 0.052 0.000 0.821 383 A CB 0.583 19.616 19.000 0.054 0.000 1.102 383 A HN 0.998 nan 8.150 nan 0.000 0.500 384 C N 1.130 120.456 119.300 0.043 0.000 3.233 384 C HA 0.818 5.278 4.460 0.000 0.000 0.358 384 C C -1.319 173.688 174.990 0.028 0.000 1.461 384 C CA -0.654 58.386 59.018 0.037 0.000 1.180 384 C CB 1.228 28.987 27.740 0.032 0.000 1.604 384 C HN 1.140 nan 8.230 nan 0.000 0.437 385 N N 0.083 118.794 118.700 0.018 0.000 2.416 385 N HA 0.444 5.185 4.740 0.000 0.000 0.276 385 N C -1.436 174.072 175.510 -0.003 0.000 1.261 385 N CA -0.589 52.468 53.050 0.011 0.000 0.790 385 N CB 2.019 40.514 38.487 0.015 0.000 1.554 385 N HN 1.048 nan 8.380 nan 0.000 0.481 386 K N 0.321 120.716 120.400 -0.009 0.000 2.180 386 K HA 0.354 4.674 4.320 0.000 0.000 0.251 386 K C -0.826 175.757 176.600 -0.029 0.000 1.014 386 K CA -0.450 55.825 56.287 -0.020 0.000 0.913 386 K CB 0.581 33.066 32.500 -0.024 0.000 1.008 386 K HN 0.738 nan 8.250 nan 0.000 0.490 387 N N -0.237 118.442 118.700 -0.035 0.000 2.647 387 N HA 0.054 4.794 4.740 0.000 0.000 0.259 387 N C -1.767 173.718 175.510 -0.042 0.000 1.098 387 N CA -0.547 52.477 53.050 -0.044 0.000 0.984 387 N CB 1.641 40.100 38.487 -0.047 0.000 1.683 387 N HN 0.839 nan 8.380 nan 0.000 0.501 388 T N -0.051 114.476 114.554 -0.045 0.000 2.926 388 T HA 0.326 4.676 4.350 0.000 0.000 0.307 388 T C 0.241 174.920 174.700 -0.035 0.000 1.059 388 T CA -0.242 61.835 62.100 -0.039 0.000 1.122 388 T CB 0.059 68.903 68.868 -0.039 0.000 0.972 388 T HN 0.416 nan 8.240 nan 0.000 0.545 389 C N 4.680 123.963 119.300 -0.028 0.000 2.365 389 C HA 0.420 4.880 4.460 0.000 0.000 0.349 389 C C -0.608 174.371 174.990 -0.019 0.000 1.191 389 C CA -1.219 57.784 59.018 -0.024 0.000 2.114 389 C CB 1.040 28.767 27.740 -0.021 0.000 2.367 389 C HN 0.727 nan 8.230 nan 0.000 0.530 390 P HA -0.178 nan 4.420 nan 0.000 0.220 390 P C 1.422 178.718 177.300 -0.007 0.000 1.155 390 P CA 2.255 65.351 63.100 -0.007 0.000 0.880 390 P CB 0.094 31.797 31.700 0.006 0.000 0.790 391 G N -0.568 108.228 108.800 -0.006 0.000 2.637 391 G HA2 -0.163 3.797 3.960 0.000 0.000 0.215 391 G HA3 -0.163 3.797 3.960 0.000 0.000 0.215 391 G C -0.189 174.705 174.900 -0.010 0.000 1.289 391 G CA 0.380 45.477 45.100 -0.006 0.000 0.816 391 G HN 0.146 nan 8.290 nan 0.000 0.580 392 D N -0.040 120.353 120.400 -0.013 0.000 7.675 392 D HA -0.097 4.543 4.640 0.000 0.000 0.092 392 D C 0.766 177.058 176.300 -0.013 0.000 0.970 392 D CA 0.723 54.714 54.000 -0.015 0.000 0.840 392 D CB 0.241 41.029 40.800 -0.020 0.000 1.604 392 D HN 0.160 nan 8.370 nan 0.000 0.906 393 K N 0.448 120.841 120.400 -0.012 0.000 2.437 393 K HA 0.216 4.536 4.320 0.000 0.000 0.198 393 K C 0.024 176.618 176.600 -0.010 0.000 1.024 393 K CA -0.076 56.205 56.287 -0.010 0.000 1.148 393 K CB 0.648 33.143 32.500 -0.009 0.000 0.860 393 K HN 0.271 nan 8.250 nan 0.000 0.515 394 S N -1.342 114.351 115.700 -0.012 0.000 2.570 394 S HA 0.537 5.007 4.470 0.000 0.000 0.286 394 S C -0.178 174.413 174.600 -0.014 0.000 1.143 394 S CA -0.353 57.840 58.200 -0.011 0.000 0.921 394 S CB 0.971 64.164 63.200 -0.012 0.000 1.108 394 S HN 0.044 nan 8.310 nan 0.000 0.456 395 A N 4.157 126.972 122.820 -0.009 0.000 2.119 395 A HA 0.236 4.556 4.320 0.000 0.000 0.216 395 A C 1.359 178.934 177.584 -0.015 0.000 1.152 395 A CA 0.519 52.548 52.037 -0.013 0.000 0.708 395 A CB -0.261 18.737 19.000 -0.003 0.000 0.805 395 A HN 0.726 nan 8.150 nan 0.000 0.460 396 L N -0.837 120.379 121.223 -0.012 0.000 2.627 396 L HA 0.206 4.546 4.340 0.000 0.000 0.233 396 L C 1.154 178.008 176.870 -0.027 0.000 1.144 396 L CA 0.985 55.817 54.840 -0.014 0.000 0.892 396 L CB -1.036 41.019 42.059 -0.008 0.000 1.039 396 L HN 0.532 nan 8.230 nan 0.000 0.442 397 R N 1.148 121.628 120.500 -0.033 0.000 2.714 397 R HA 0.177 4.518 4.340 0.000 0.000 0.214 397 R C -2.685 173.589 176.300 -0.044 0.000 1.474 397 R CA -0.846 55.226 56.100 -0.047 0.000 1.435 397 R CB 0.980 31.252 30.300 -0.047 0.000 1.517 397 R HN -0.123 nan 8.270 nan 0.000 0.748 398 P HA 0.047 nan 4.420 nan 0.000 0.265 398 P C -0.025 177.252 177.300 -0.039 0.000 1.193 398 P CA 0.249 63.326 63.100 -0.038 0.000 0.765 398 P CB 1.687 33.363 31.700 -0.039 0.000 0.823 399 S N 1.271 116.952 115.700 -0.031 0.000 2.496 399 S HA 0.122 4.592 4.470 0.000 0.000 0.224 399 S C 1.215 175.805 174.600 -0.016 0.000 0.996 399 S CA 0.507 58.692 58.200 -0.025 0.000 0.927 399 S CB -0.021 63.168 63.200 -0.019 0.000 0.774 399 S HN 0.747 nan 8.310 nan 0.000 0.524 400 G N 0.360 109.148 108.800 -0.021 0.000 2.509 400 G HA2 0.697 4.657 3.960 0.000 0.000 0.328 400 G HA3 0.697 4.657 3.960 0.000 0.000 0.328 400 G C -1.300 173.587 174.900 -0.021 0.000 1.194 400 G CA -0.592 44.497 45.100 -0.018 0.000 0.967 400 G HN 0.263 nan 8.290 nan 0.000 0.488 401 L N 0.375 121.585 121.223 -0.021 0.000 2.381 401 L HA 0.502 4.842 4.340 0.000 0.000 0.274 401 L C 0.094 176.942 176.870 -0.038 0.000 0.988 401 L CA -0.819 54.007 54.840 -0.024 0.000 0.824 401 L CB 2.275 44.322 42.059 -0.020 0.000 1.263 401 L HN 0.509 nan 8.230 nan 0.000 0.410 402 R N 4.440 124.918 120.500 -0.037 0.000 2.312 402 R HA 0.727 5.067 4.340 0.000 0.000 0.311 402 R C -1.643 174.635 176.300 -0.038 0.000 1.004 402 R CA -0.449 55.619 56.100 -0.053 0.000 0.902 402 R CB 0.900 31.168 30.300 -0.054 0.000 1.073 402 R HN 0.569 nan 8.270 nan 0.000 0.457 403 L N 3.405 124.595 121.223 -0.056 0.000 2.410 403 L HA 0.586 4.926 4.340 0.000 0.000 0.270 403 L C 0.062 176.900 176.870 -0.052 0.000 0.983 403 L CA -0.958 53.866 54.840 -0.026 0.000 0.822 403 L CB 2.328 44.376 42.059 -0.020 0.000 1.285 403 L HN 0.815 nan 8.230 nan 0.000 0.409 404 G N -0.523 108.278 108.800 0.003 0.000 2.481 404 G HA2 0.510 4.470 3.960 0.000 0.000 0.315 404 G HA3 0.510 4.470 3.960 0.000 0.000 0.315 404 G C 0.392 175.335 174.900 0.072 0.000 1.231 404 G CA -0.084 45.014 45.100 -0.003 0.000 0.968 404 G HN 0.610 nan 8.290 nan 0.000 0.482 405 T N -1.608 112.962 114.554 0.025 0.000 3.040 405 T HA 0.228 4.578 4.350 0.000 0.000 0.250 405 T C -0.827 173.957 174.700 0.140 0.000 1.058 405 T CA -0.044 62.073 62.100 0.027 0.000 0.988 405 T CB 0.219 68.842 68.868 -0.409 0.000 0.993 405 T HN 0.237 nan 8.240 nan 0.000 0.519 406 P HA -0.092 nan 4.420 nan 0.000 0.213 406 P C 1.942 179.400 177.300 0.264 0.000 1.170 406 P CA 1.891 65.098 63.100 0.178 0.000 0.902 406 P CB -0.348 31.451 31.700 0.165 0.000 0.789 407 A N -0.614 122.322 122.820 0.193 0.000 1.859 407 A HA -0.218 4.102 4.320 0.000 0.000 0.217 407 A C 2.302 180.113 177.584 0.379 0.000 1.198 407 A CA 1.919 54.069 52.037 0.188 0.000 0.629 407 A CB -1.769 17.251 19.000 0.033 0.000 0.830 407 A HN 0.109 nan 8.150 nan 0.000 0.446 408 L N -0.789 120.617 121.223 0.306 0.000 2.131 408 L HA -0.148 4.192 4.340 0.000 0.000 0.210 408 L C 2.741 179.725 176.870 0.191 0.000 1.092 408 L CA 1.649 56.598 54.840 0.181 0.000 0.759 408 L CB -0.782 41.299 42.059 0.036 0.000 0.903 408 L HN 0.393 nan 8.230 nan 0.000 0.435 409 T N -1.283 113.476 114.554 0.341 0.000 2.788 409 T HA -0.150 4.200 4.350 0.000 0.000 0.268 409 T C 2.061 176.997 174.700 0.394 0.000 1.044 409 T CA 1.502 63.799 62.100 0.328 0.000 1.139 409 T CB -0.085 68.900 68.868 0.195 0.000 0.867 409 T HN 0.239 nan 8.240 nan 0.000 0.454 410 S N 0.847 116.813 115.700 0.444 0.000 2.474 410 S HA 0.010 4.480 4.470 0.000 0.000 0.235 410 S C 1.818 176.508 174.600 0.149 0.000 0.997 410 S CA 0.641 58.993 58.200 0.255 0.000 0.949 410 S CB -0.108 63.241 63.200 0.248 0.000 0.766 410 S HN 0.458 nan 8.310 nan 0.000 0.517 411 R N 0.071 120.649 120.500 0.129 0.000 2.317 411 R HA 0.200 4.540 4.340 0.000 0.000 0.208 411 R C 1.456 177.790 176.300 0.058 0.000 0.914 411 R CA 0.533 56.648 56.100 0.026 0.000 1.060 411 R CB 0.185 30.447 30.300 -0.062 0.000 1.015 411 R HN 0.428 nan 8.270 nan 0.000 0.498 412 G N 0.678 109.530 108.800 0.087 0.000 2.176 412 G HA2 -0.220 3.740 3.960 0.000 0.000 0.232 412 G HA3 -0.220 3.740 3.960 0.000 0.000 0.232 412 G C 0.178 175.125 174.900 0.078 0.000 0.986 412 G CA -0.544 44.630 45.100 0.124 0.000 0.643 412 G HN 0.101 nan 8.290 nan 0.000 0.522 413 L N 0.802 121.949 121.223 -0.127 0.000 2.525 413 L HA 0.326 4.666 4.340 0.000 0.000 0.278 413 L C 1.204 178.153 176.870 0.132 0.000 1.218 413 L CA 0.924 55.642 54.840 -0.203 0.000 0.878 413 L CB 0.336 42.093 42.059 -0.504 0.000 1.127 413 L HN 0.220 nan 8.230 nan 0.000 0.492 414 L N 2.013 123.340 121.223 0.173 0.000 2.267 414 L HA 0.290 4.630 4.340 0.000 0.000 0.264 414 L C 1.284 178.324 176.870 0.283 0.000 1.021 414 L CA -0.836 54.134 54.840 0.215 0.000 0.861 414 L CB 0.871 43.022 42.059 0.154 0.000 1.443 414 L HN 0.446 nan 8.230 nan 0.000 0.475 415 E N 0.074 120.395 120.200 0.201 0.000 2.065 415 E HA -0.247 4.103 4.350 0.000 0.000 0.201 415 E C 1.735 178.446 176.600 0.186 0.000 1.016 415 E CA 1.830 58.340 56.400 0.183 0.000 0.818 415 E CB -0.069 29.687 29.700 0.093 0.000 0.749 415 E HN 0.344 nan 8.360 nan 0.000 0.453 416 K N 0.431 120.917 120.400 0.144 0.000 2.063 416 K HA -0.181 4.139 4.320 0.000 0.000 0.208 416 K C 1.697 178.380 176.600 0.138 0.000 1.048 416 K CA 1.525 57.883 56.287 0.117 0.000 0.928 416 K CB -0.163 32.399 32.500 0.104 0.000 0.713 416 K HN 0.221 nan 8.250 nan 0.000 0.442 417 D N 0.181 120.698 120.400 0.196 0.000 2.117 417 D HA -0.152 4.488 4.640 0.000 0.000 0.197 417 D C 1.771 178.113 176.300 0.071 0.000 0.987 417 D CA 1.169 55.314 54.000 0.241 0.000 0.829 417 D CB -0.242 40.668 40.800 0.183 0.000 0.961 417 D HN 0.130 nan 8.370 nan 0.000 0.460 418 F N 1.471 121.483 119.950 0.103 0.000 2.407 418 F HA -0.050 4.477 4.527 0.000 0.000 0.299 418 F C 2.561 178.380 175.800 0.033 0.000 1.097 418 F CA 0.770 58.808 58.000 0.064 0.000 1.422 418 F CB -0.078 38.940 39.000 0.029 0.000 1.067 418 F HN -0.073 nan 8.300 nan 0.000 0.539 419 Q N -0.278 119.619 119.800 0.161 0.000 2.172 419 Q HA -0.182 4.158 4.340 0.000 0.000 0.200 419 Q C 2.130 178.150 176.000 0.033 0.000 0.964 419 Q CA 1.072 56.938 55.803 0.105 0.000 0.855 419 Q CB -0.176 28.607 28.738 0.076 0.000 0.918 419 Q HN 0.355 nan 8.270 nan 0.000 0.444 420 K N 0.545 120.872 120.400 -0.122 0.000 2.103 420 K HA -0.091 4.229 4.320 0.000 0.000 0.204 420 K C 1.986 178.297 176.600 -0.481 0.000 1.052 420 K CA 0.700 56.727 56.287 -0.433 0.000 0.945 420 K CB 0.155 32.256 32.500 -0.664 0.000 0.722 420 K HN -0.019 nan 8.250 nan 0.000 0.443 421 V N 1.238 121.050 119.914 -0.170 0.000 2.343 421 V HA -0.258 3.862 4.120 0.000 0.000 0.247 421 V C 2.324 178.462 176.094 0.073 0.000 1.051 421 V CA 1.982 64.317 62.300 0.058 0.000 1.036 421 V CB -0.601 31.249 31.823 0.045 0.000 0.654 421 V HN 0.459 nan 8.190 nan 0.000 0.451 422 A N -0.799 122.052 122.820 0.052 0.000 1.908 422 A HA -0.290 4.030 4.320 0.000 0.000 0.218 422 A C 1.994 179.553 177.584 -0.042 0.000 1.181 422 A CA 2.317 54.355 52.037 0.003 0.000 0.627 422 A CB -0.783 18.209 19.000 -0.013 0.000 0.818 422 A HN 0.688 nan 8.150 nan 0.000 0.445 423 H N -2.035 116.969 119.070 -0.111 0.000 2.395 423 H HA 0.009 4.565 4.556 0.000 0.000 0.299 423 H C 1.656 176.987 175.328 0.006 0.000 1.070 423 H CA 1.761 57.764 56.048 -0.075 0.000 1.356 423 H CB -0.224 29.412 29.762 -0.210 0.000 1.401 423 H HN 0.509 nan 8.280 nan 0.000 0.524 424 F N 0.231 120.240 119.950 0.098 0.000 2.102 424 F HA -0.140 4.387 4.527 0.000 0.000 0.298 424 F C 2.285 178.112 175.800 0.044 0.000 1.105 424 F CA 0.935 58.964 58.000 0.049 0.000 1.239 424 F CB -0.831 38.179 39.000 0.017 0.000 0.991 424 F HN 0.135 nan 8.300 nan 0.000 0.474 425 I N -0.869 119.835 120.570 0.224 0.000 2.208 425 I HA -0.348 3.822 4.170 0.000 0.000 0.245 425 I C 2.531 178.703 176.117 0.091 0.000 1.097 425 I CA 1.775 63.137 61.300 0.104 0.000 1.363 425 I CB -0.603 37.404 38.000 0.012 0.000 1.051 425 I HN 0.160 nan 8.210 nan 0.000 0.413 426 H N 1.654 120.716 119.070 -0.013 0.000 2.321 426 H HA -0.096 4.460 4.556 0.000 0.000 0.300 426 H C 2.345 177.741 175.328 0.114 0.000 1.087 426 H CA 1.670 57.751 56.048 0.055 0.000 1.319 426 H CB 0.004 29.773 29.762 0.010 0.000 1.379 426 H HN 0.056 nan 8.280 nan 0.000 0.501 427 R N -0.281 120.229 120.500 0.016 0.000 2.117 427 R HA -0.106 4.234 4.340 0.000 0.000 0.243 427 R C 2.566 178.863 176.300 -0.006 0.000 1.143 427 R CA 1.106 57.194 56.100 -0.021 0.000 0.968 427 R CB -1.027 29.346 30.300 0.122 0.000 0.863 427 R HN 0.524 nan 8.270 nan 0.000 0.444 428 G N 1.794 110.625 108.800 0.052 0.000 2.421 428 G HA2 -0.198 3.762 3.960 0.000 0.000 0.216 428 G HA3 -0.198 3.762 3.960 0.000 0.000 0.216 428 G C 1.453 176.381 174.900 0.047 0.000 1.171 428 G CA 0.353 45.485 45.100 0.054 0.000 0.775 428 G HN 0.087 nan 8.290 nan 0.000 0.543 429 I N 1.370 121.975 120.570 0.059 0.000 2.226 429 I HA -0.116 4.054 4.170 0.000 0.000 0.245 429 I C 2.574 178.716 176.117 0.043 0.000 1.100 429 I CA 1.015 62.374 61.300 0.098 0.000 1.374 429 I CB -1.309 36.846 38.000 0.259 0.000 1.057 429 I HN 0.363 nan 8.210 nan 0.000 0.413 430 E N 0.482 120.649 120.200 -0.055 0.000 2.077 430 E HA -0.246 4.104 4.350 0.000 0.000 0.193 430 E C 2.188 178.784 176.600 -0.006 0.000 0.989 430 E CA 0.972 57.329 56.400 -0.071 0.000 0.800 430 E CB -0.243 29.354 29.700 -0.171 0.000 0.746 430 E HN 0.244 nan 8.360 nan 0.000 0.452 431 L N 1.155 122.383 121.223 0.008 0.000 2.017 431 L HA -0.147 4.193 4.340 0.000 0.000 0.208 431 L C 2.179 179.076 176.870 0.045 0.000 1.073 431 L CA 1.988 56.849 54.840 0.034 0.000 0.745 431 L CB -0.872 41.210 42.059 0.040 0.000 0.894 431 L HN 0.018 nan 8.230 nan 0.000 0.432 432 T N -0.980 113.619 114.554 0.076 0.000 2.720 432 T HA -0.172 4.179 4.350 0.000 0.000 0.268 432 T C 1.998 176.777 174.700 0.132 0.000 1.037 432 T CA 1.684 63.874 62.100 0.150 0.000 1.144 432 T CB -0.461 68.486 68.868 0.132 0.000 0.864 432 T HN 0.222 nan 8.240 nan 0.000 0.444 433 V N 1.194 121.150 119.914 0.070 0.000 2.343 433 V HA -0.218 3.902 4.120 0.000 0.000 0.247 433 V C 2.633 178.759 176.094 0.053 0.000 1.051 433 V CA 1.654 63.985 62.300 0.050 0.000 1.036 433 V CB -0.698 31.142 31.823 0.029 0.000 0.654 433 V HN 0.446 nan 8.190 nan 0.000 0.451 434 Q N -0.364 119.463 119.800 0.045 0.000 2.045 434 Q HA -0.208 4.132 4.340 0.000 0.000 0.206 434 Q C 2.229 178.240 176.000 0.019 0.000 0.991 434 Q CA 2.300 58.135 55.803 0.052 0.000 0.851 434 Q CB -0.272 28.513 28.738 0.079 0.000 0.911 434 Q HN 0.592 nan 8.270 nan 0.000 0.418 435 I N 0.193 120.696 120.570 -0.113 0.000 2.226 435 I HA -0.332 3.838 4.170 0.000 0.000 0.245 435 I C 2.636 178.757 176.117 0.007 0.000 1.100 435 I CA 1.364 62.454 61.300 -0.350 0.000 1.374 435 I CB -0.470 37.204 38.000 -0.543 0.000 1.057 435 I HN 0.399 nan 8.210 nan 0.000 0.413 436 Q N 1.112 121.055 119.800 0.238 0.000 2.061 436 Q HA -0.264 4.076 4.340 0.000 0.000 0.204 436 Q C 1.606 177.676 176.000 0.117 0.000 0.984 436 Q CA 2.067 58.020 55.803 0.250 0.000 0.846 436 Q CB 0.014 28.817 28.738 0.109 0.000 0.902 436 Q HN 0.429 nan 8.270 nan 0.000 0.421 437 D N 0.362 120.807 120.400 0.076 0.000 2.263 437 D HA -0.127 4.513 4.640 0.000 0.000 0.208 437 D C 0.743 177.081 176.300 0.064 0.000 0.971 437 D CA 1.058 55.092 54.000 0.057 0.000 0.867 437 D CB -0.209 40.620 40.800 0.048 0.000 0.929 437 D HN 0.330 nan 8.370 nan 0.000 0.492 438 D N -1.248 119.196 120.400 0.074 0.000 2.328 438 D HA 0.035 4.675 4.640 0.000 0.000 0.221 438 D C 0.885 177.231 176.300 0.076 0.000 1.072 438 D CA 0.483 54.537 54.000 0.089 0.000 0.850 438 D CB 0.319 41.215 40.800 0.160 0.000 0.922 438 D HN -0.007 nan 8.370 nan 0.000 0.516 439 T N -2.032 112.569 114.554 0.078 0.000 3.019 439 T HA 0.505 4.855 4.350 0.000 0.000 0.247 439 T C 0.764 175.503 174.700 0.065 0.000 0.992 439 T CA 0.121 62.269 62.100 0.080 0.000 1.036 439 T CB 1.235 70.183 68.868 0.134 0.000 1.063 439 T HN 0.206 nan 8.240 nan 0.000 0.476 440 G N 1.942 110.777 108.800 0.059 0.000 2.362 440 G HA2 0.148 4.108 3.960 0.000 0.000 0.656 440 G HA3 0.148 4.108 3.960 0.000 0.000 0.656 440 G C -2.362 172.558 174.900 0.034 0.000 1.376 440 G CA -0.315 44.810 45.100 0.041 0.000 0.971 440 G HN -0.029 nan 8.290 nan 0.000 0.636 441 P HA 0.058 nan 4.420 nan 0.000 0.220 441 P C 0.935 178.240 177.300 0.008 0.000 1.152 441 P CA 0.690 63.796 63.100 0.011 0.000 0.812 441 P CB 0.314 32.019 31.700 0.008 0.000 0.792 442 R N 0.125 120.633 120.500 0.013 0.000 2.694 442 R HA 0.473 4.813 4.340 0.000 0.000 0.334 442 R C 0.258 176.569 176.300 0.019 0.000 1.143 442 R CA -0.544 55.563 56.100 0.012 0.000 1.073 442 R CB -0.079 30.227 30.300 0.010 0.000 1.366 442 R HN 0.122 nan 8.270 nan 0.000 0.577 443 A N 0.362 123.199 122.820 0.029 0.000 2.340 443 A HA 0.363 4.683 4.320 0.000 0.000 0.268 443 A C 0.370 177.981 177.584 0.044 0.000 1.100 443 A CA -0.037 52.028 52.037 0.046 0.000 0.803 443 A CB 0.678 19.722 19.000 0.073 0.000 1.043 443 A HN 0.126 nan 8.150 nan 0.000 0.488 444 T N 0.629 115.214 114.554 0.052 0.000 2.899 444 T HA 0.285 4.636 4.350 0.000 0.000 0.284 444 T C 1.329 176.076 174.700 0.079 0.000 1.004 444 T CA -0.274 61.854 62.100 0.046 0.000 1.043 444 T CB 0.328 69.220 68.868 0.039 0.000 1.013 444 T HN 0.677 nan 8.240 nan 0.000 0.518 445 L N 3.524 124.779 121.223 0.054 0.000 2.127 445 L HA 0.062 4.403 4.340 0.000 0.000 0.211 445 L C 2.400 179.357 176.870 0.145 0.000 1.089 445 L CA 2.045 56.936 54.840 0.085 0.000 0.757 445 L CB -0.666 41.410 42.059 0.029 0.000 0.899 445 L HN 0.774 nan 8.230 nan 0.000 0.434 446 K N -0.426 120.029 120.400 0.092 0.000 2.057 446 K HA -0.186 4.134 4.320 0.000 0.000 0.206 446 K C 1.929 178.577 176.600 0.080 0.000 1.050 446 K CA 1.776 58.109 56.287 0.076 0.000 0.935 446 K CB -0.122 32.407 32.500 0.048 0.000 0.715 446 K HN 0.492 nan 8.250 nan 0.000 0.439 447 E N -0.388 119.863 120.200 0.086 0.000 2.106 447 E HA -0.181 4.169 4.350 0.000 0.000 0.192 447 E C 1.790 178.440 176.600 0.083 0.000 0.984 447 E CA 1.119 57.561 56.400 0.070 0.000 0.806 447 E CB -0.184 29.556 29.700 0.068 0.000 0.750 447 E HN 0.318 nan 8.360 nan 0.000 0.458 448 F N 2.203 122.148 119.950 -0.009 0.000 2.102 448 F HA -0.177 4.350 4.527 0.000 0.000 0.298 448 F C 1.922 177.710 175.800 -0.020 0.000 1.105 448 F CA 1.540 59.528 58.000 -0.021 0.000 1.239 448 F CB 0.093 39.079 39.000 -0.024 0.000 0.991 448 F HN -0.218 nan 8.300 nan 0.000 0.474 449 K N 0.084 120.537 120.400 0.089 0.000 2.097 449 K HA -0.174 4.147 4.320 0.000 0.000 0.206 449 K C 1.949 178.498 176.600 -0.085 0.000 1.049 449 K CA 1.865 58.147 56.287 -0.008 0.000 0.933 449 K CB -0.259 32.292 32.500 0.084 0.000 0.717 449 K HN 0.439 nan 8.250 nan 0.000 0.442 450 E N 0.723 120.894 120.200 -0.047 0.000 2.107 450 E HA -0.181 4.170 4.350 0.000 0.000 0.191 450 E C 1.907 178.464 176.600 -0.073 0.000 0.982 450 E CA 0.848 57.223 56.400 -0.042 0.000 0.809 450 E CB 0.055 29.749 29.700 -0.010 0.000 0.756 450 E HN 0.055 nan 8.360 nan 0.000 0.459 451 K N 1.510 121.842 120.400 -0.114 0.000 2.147 451 K HA -0.160 4.160 4.320 0.000 0.000 0.205 451 K C 1.928 178.442 176.600 -0.144 0.000 1.049 451 K CA 0.792 57.011 56.287 -0.113 0.000 0.936 451 K CB -0.219 32.194 32.500 -0.145 0.000 0.722 451 K HN 0.118 nan 8.250 nan 0.000 0.446 452 L N -0.539 120.512 121.223 -0.285 0.000 2.313 452 L HA 0.237 4.577 4.340 0.000 0.000 0.214 452 L C 1.837 178.645 176.870 -0.102 0.000 1.119 452 L CA 1.709 56.397 54.840 -0.254 0.000 0.809 452 L CB -0.351 41.470 42.059 -0.397 0.000 0.933 452 L HN 0.170 nan 8.230 nan 0.000 0.449 453 A N -0.958 121.813 122.820 -0.080 0.000 2.044 453 A HA 0.372 4.692 4.320 0.000 0.000 0.213 453 A C 1.971 179.541 177.584 -0.023 0.000 1.169 453 A CA 0.548 52.561 52.037 -0.040 0.000 0.724 453 A CB -0.602 18.379 19.000 -0.032 0.000 0.840 453 A HN 0.440 nan 8.150 nan 0.000 0.463 454 G N -1.139 107.648 108.800 -0.022 0.000 3.393 454 G HA2 0.257 4.217 3.960 0.000 0.000 0.255 454 G HA3 0.257 4.217 3.960 0.000 0.000 0.255 454 G C -0.404 174.491 174.900 -0.008 0.000 1.097 454 G CA 0.166 45.259 45.100 -0.013 0.000 0.780 454 G HN 0.261 nan 8.290 nan 0.000 0.540 455 D N 0.817 121.219 120.400 0.003 0.000 2.472 455 D HA 0.191 4.831 4.640 0.000 0.000 0.234 455 D C 1.053 177.331 176.300 -0.037 0.000 1.088 455 D CA -0.453 53.544 54.000 -0.006 0.000 0.882 455 D CB 1.600 42.441 40.800 0.068 0.000 1.037 455 D HN 0.007 nan 8.370 nan 0.000 0.520 456 E N 3.790 123.960 120.200 -0.049 0.000 2.187 456 E HA -0.246 4.104 4.350 0.000 0.000 0.199 456 E C 1.612 178.162 176.600 -0.082 0.000 1.004 456 E CA 1.421 57.791 56.400 -0.051 0.000 0.813 456 E CB 0.066 29.739 29.700 -0.044 0.000 0.736 456 E HN 0.487 nan 8.360 nan 0.000 0.468 457 K N -0.650 119.655 120.400 -0.159 0.000 2.020 457 K HA -0.226 4.094 4.320 0.000 0.000 0.212 457 K C 2.002 178.466 176.600 -0.226 0.000 1.050 457 K CA 1.815 57.957 56.287 -0.241 0.000 0.929 457 K CB -0.303 31.955 32.500 -0.404 0.000 0.714 457 K HN 0.377 nan 8.250 nan 0.000 0.443 458 H N -0.382 118.666 119.070 -0.036 0.000 2.436 458 H HA -0.061 4.495 4.556 0.000 0.000 0.294 458 H C 2.133 177.437 175.328 -0.039 0.000 1.048 458 H CA 1.135 57.157 56.048 -0.042 0.000 1.353 458 H CB -0.010 29.709 29.762 -0.072 0.000 1.414 458 H HN 0.320 nan 8.280 nan 0.000 0.536 459 Q N 1.427 121.260 119.800 0.056 0.000 2.226 459 Q HA -0.097 4.243 4.340 0.000 0.000 0.204 459 Q C 2.413 178.418 176.000 0.008 0.000 0.975 459 Q CA 1.075 56.891 55.803 0.022 0.000 0.866 459 Q CB 0.012 28.751 28.738 0.002 0.000 0.915 459 Q HN 0.309 nan 8.270 nan 0.000 0.440 460 R N -1.049 119.449 120.500 -0.002 0.000 2.090 460 R HA 0.002 4.342 4.340 0.000 0.000 0.228 460 R C 1.947 178.252 176.300 0.007 0.000 1.110 460 R CA 1.079 57.176 56.100 -0.005 0.000 0.973 460 R CB -0.264 30.024 30.300 -0.019 0.000 0.869 460 R HN 0.291 nan 8.270 nan 0.000 0.440 461 A N 0.378 123.210 122.820 0.021 0.000 1.902 461 A HA -0.088 4.232 4.320 0.000 0.000 0.217 461 A C 2.210 179.811 177.584 0.029 0.000 1.181 461 A CA 1.472 53.529 52.037 0.034 0.000 0.623 461 A CB -0.546 18.491 19.000 0.061 0.000 0.818 461 A HN 0.206 nan 8.150 nan 0.000 0.443 462 V N 0.111 120.042 119.914 0.028 0.000 2.261 462 V HA -0.287 3.833 4.120 0.000 0.000 0.246 462 V C 2.656 178.752 176.094 0.003 0.000 1.047 462 V CA 2.388 64.697 62.300 0.016 0.000 1.015 462 V CB -0.818 31.012 31.823 0.013 0.000 0.642 462 V HN 0.688 nan 8.190 nan 0.000 0.446 463 R N 0.125 120.626 120.500 0.002 0.000 2.103 463 R HA -0.225 4.116 4.340 0.000 0.000 0.242 463 R C 2.252 178.549 176.300 -0.006 0.000 1.142 463 R CA 1.935 58.032 56.100 -0.004 0.000 0.960 463 R CB -0.483 29.815 30.300 -0.004 0.000 0.858 463 R HN 0.507 nan 8.270 nan 0.000 0.439 464 A N 0.778 123.598 122.820 0.001 0.000 1.898 464 A HA -0.146 4.174 4.320 0.000 0.000 0.216 464 A C 2.010 179.594 177.584 0.000 0.000 1.181 464 A CA 1.187 53.228 52.037 0.005 0.000 0.620 464 A CB -0.534 18.476 19.000 0.015 0.000 0.819 464 A HN 0.388 nan 8.150 nan 0.000 0.442 465 L N -0.285 120.937 121.223 -0.001 0.000 2.109 465 L HA -0.020 4.320 4.340 0.000 0.000 0.207 465 L C 2.374 179.191 176.870 -0.089 0.000 1.086 465 L CA 1.959 56.787 54.840 -0.021 0.000 0.760 465 L CB -0.649 41.415 42.059 0.008 0.000 0.910 465 L HN 0.431 nan 8.230 nan 0.000 0.437 466 R N -0.614 119.850 120.500 -0.060 0.000 2.083 466 R HA -0.244 4.097 4.340 0.000 0.000 0.237 466 R C 2.319 178.569 176.300 -0.084 0.000 1.137 466 R CA 2.084 58.141 56.100 -0.072 0.000 0.951 466 R CB -0.363 29.914 30.300 -0.037 0.000 0.851 466 R HN 0.616 nan 8.270 nan 0.000 0.434 467 Q N 0.459 120.226 119.800 -0.054 0.000 2.045 467 Q HA -0.217 4.123 4.340 0.000 0.000 0.206 467 Q C 1.755 177.723 176.000 -0.053 0.000 0.991 467 Q CA 2.157 57.937 55.803 -0.038 0.000 0.851 467 Q CB -0.003 28.726 28.738 -0.016 0.000 0.911 467 Q HN 0.486 nan 8.270 nan 0.000 0.418 468 E N -0.554 119.600 120.200 -0.077 0.000 2.077 468 E HA -0.168 4.182 4.350 0.000 0.000 0.193 468 E C 2.138 178.570 176.600 -0.281 0.000 0.989 468 E CA 1.390 57.737 56.400 -0.087 0.000 0.800 468 E CB 0.004 29.697 29.700 -0.012 0.000 0.746 468 E HN 0.214 nan 8.360 nan 0.000 0.452 469 V N 1.941 121.554 119.914 -0.501 0.000 2.287 469 V HA -0.270 3.850 4.120 0.000 0.000 0.248 469 V C 2.044 178.049 176.094 -0.148 0.000 1.053 469 V CA 2.021 63.987 62.300 -0.556 0.000 1.027 469 V CB -0.466 31.103 31.823 -0.424 0.000 0.646 469 V HN 0.266 nan 8.190 nan 0.000 0.447 470 E N -0.227 119.921 120.200 -0.087 0.000 2.152 470 E HA -0.111 4.239 4.350 0.000 0.000 0.192 470 E C 2.365 178.973 176.600 0.014 0.000 0.983 470 E CA 1.225 57.613 56.400 -0.021 0.000 0.818 470 E CB -0.155 29.529 29.700 -0.026 0.000 0.758 470 E HN 0.527 nan 8.360 nan 0.000 0.467 471 S N 0.961 116.678 115.700 0.029 0.000 2.368 471 S HA -0.123 4.348 4.470 0.000 0.000 0.224 471 S C 1.614 176.282 174.600 0.114 0.000 1.029 471 S CA 0.743 58.976 58.200 0.055 0.000 0.988 471 S CB -0.256 62.983 63.200 0.066 0.000 0.838 471 S HN 0.273 nan 8.310 nan 0.000 0.462 472 F N 2.607 122.581 119.950 0.039 0.000 2.186 472 F HA 0.040 4.567 4.527 0.000 0.000 0.299 472 F C 2.238 178.170 175.800 0.221 0.000 1.090 472 F CA 0.739 58.827 58.000 0.147 0.000 1.307 472 F CB -0.683 38.495 39.000 0.297 0.000 1.019 472 F HN 0.164 nan 8.300 nan 0.000 0.489 473 A N 0.416 123.291 122.820 0.091 0.000 1.930 473 A HA 0.036 4.356 4.320 0.000 0.000 0.217 473 A C 2.346 179.955 177.584 0.041 0.000 1.175 473 A CA 1.337 53.413 52.037 0.064 0.000 0.627 473 A CB -1.500 17.535 19.000 0.058 0.000 0.815 473 A HN 0.431 nan 8.150 nan 0.000 0.443 474 A N -0.538 122.266 122.820 -0.028 0.000 2.178 474 A HA 0.066 4.386 4.320 0.000 0.000 0.218 474 A C 1.920 179.404 177.584 -0.166 0.000 1.157 474 A CA 1.030 53.026 52.037 -0.069 0.000 0.689 474 A CB -0.570 18.398 19.000 -0.054 0.000 0.787 474 A HN 0.485 nan 8.150 nan 0.000 0.465 475 L N -1.562 119.462 121.223 -0.332 0.000 2.376 475 L HA 0.028 4.368 4.340 0.000 0.000 0.219 475 L C -0.094 176.273 176.870 -0.838 0.000 1.133 475 L CA 0.197 54.650 54.840 -0.645 0.000 0.816 475 L CB -0.164 41.299 42.059 -0.993 0.000 0.933 475 L HN 0.370 nan 8.230 nan 0.000 0.449 476 F N -0.552 119.276 119.950 -0.204 0.000 2.507 476 F HA 0.460 4.987 4.527 0.000 0.000 0.327 476 F C -1.820 173.891 175.800 -0.147 0.000 1.068 476 F CA -2.960 54.937 58.000 -0.170 0.000 0.965 476 F CB 0.104 38.986 39.000 -0.197 0.000 1.192 476 F HN -0.260 nan 8.300 nan 0.000 0.476 477 P HA 0.176 nan 4.420 nan 0.000 0.274 477 P C -1.184 176.055 177.300 -0.102 0.000 1.237 477 P CA -0.265 62.815 63.100 -0.033 0.000 0.793 477 P CB 1.653 33.342 31.700 -0.019 0.000 0.977 478 L N 3.787 124.919 121.223 -0.152 0.000 2.366 478 L HA 0.465 4.805 4.340 0.000 0.000 0.266 478 L C -2.445 174.287 176.870 -0.230 0.000 1.010 478 L CA -2.343 52.320 54.840 -0.294 0.000 0.879 478 L CB 0.304 42.207 42.059 -0.259 0.000 1.228 478 L HN 0.188 nan 8.230 nan 0.000 0.439 479 P HA 0.486 nan 4.420 nan 0.000 0.267 479 P C 0.181 177.466 177.300 -0.026 0.000 1.195 479 P CA 0.520 63.572 63.100 -0.080 0.000 0.773 479 P CB 0.485 32.180 31.700 -0.008 0.000 0.837 480 G N -0.461 108.353 108.800 0.022 0.000 2.293 480 G HA2 0.005 3.965 3.960 0.000 0.000 0.282 480 G HA3 0.005 3.965 3.960 0.000 0.000 0.282 480 G C -1.381 173.547 174.900 0.047 0.000 1.299 480 G CA -0.951 44.183 45.100 0.056 0.000 1.018 480 G HN 0.525 nan 8.290 nan 0.000 0.478 481 L N 0.899 122.168 121.223 0.077 0.000 2.456 481 L HA 0.393 4.733 4.340 0.000 0.000 0.257 481 L C -1.760 175.169 176.870 0.099 0.000 1.162 481 L CA -1.608 53.273 54.840 0.068 0.000 0.808 481 L CB 0.887 42.972 42.059 0.044 0.000 1.136 481 L HN 0.254 nan 8.230 nan 0.000 0.466 482 P HA -0.036 nan 4.420 nan 0.000 0.231 482 P C 0.579 177.944 177.300 0.109 0.000 1.210 482 P CA 0.797 63.943 63.100 0.078 0.000 1.332 482 P CB -0.292 31.449 31.700 0.068 0.000 1.594 483 G N 0.891 109.734 108.800 0.072 0.000 2.198 483 G HA2 -0.289 3.671 3.960 0.000 0.000 0.260 483 G HA3 -0.289 3.671 3.960 0.000 0.000 0.260 483 G C -0.147 174.776 174.900 0.039 0.000 1.025 483 G CA -0.439 44.682 45.100 0.035 0.000 0.769 483 G HN 0.436 nan 8.290 nan 0.000 0.507 484 F N 0.000 119.931 119.950 -0.031 0.000 2.286 484 F HA 0.000 4.527 4.527 0.000 0.000 0.279 484 F CA 0.000 57.976 58.000 -0.040 0.000 1.383 484 F CB 0.000 38.996 39.000 -0.007 0.000 1.145 484 F HN 0.000 nan 8.300 nan 0.000 0.574