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 3nne_1_H DATA FIRST_RESID 1 DATA SEQUENCE MHIDNIENLS DREFDYIVVG GGSAGAAVAA RLSEDPAVSV ALVEAGPDDR DATA SEQUENCE GVPEVLQLDR WMELLESGYD WDYPIEPQEN GNSFMRHARA KVMGGCSSHN DATA SEQUENCE ACIAFWAPRE DLDEWEAKYG ATGWNAEAAW PLYKRLETNE DAGPDAPHHG DATA SEQUENCE DSGPVHLMNV PPKDPTGVAL LDACEQAGIP RAKFNTGTTV VNGANFFQIN DATA SEQUENCE RRADGTRSSS SVSYIHPIVE QENFTLLTGL RARQLVFDAD RRCTGVDIVD DATA SEQUENCE SAFGHTHRLT ARNEVVLSTG AIDTPKLLML SGIGPAAHLA EHGIEVLVDS DATA SEQUENCE PGVGEHLQDH PEGVVQFEAK QPMVAESTQW WEIGIFTPTE DGLDRPDLMM DATA SEQUENCE HYGSVPFDMN TLRHGYPTTE NGFSLTPNVT HARSRGTVRL RSRDFRDKPM DATA SEQUENCE VDPRYFTDPE GHDMRVMVAG IRKAREIAAQ PAMAEWTGRE LSPGVEAQTD DATA SEQUENCE EELQDYIRKT HNTVYHPVGT VRMGAVEDEM SPLDPELRVK GVTGLRVADA DATA SEQUENCE SVMPEHVTVN PNITVMMIGE RCADLIRSAR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.394 176.300 0.156 0.000 1.140 1 M CA 0.000 55.386 55.300 0.144 0.000 0.988 1 M CB 0.000 32.652 32.600 0.087 0.000 1.302 2 H N 3.885 122.985 119.070 0.051 0.000 2.469 2 H HA 0.880 5.436 4.556 -0.000 0.000 0.342 2 H C -1.749 173.587 175.328 0.013 0.000 1.115 2 H CA -0.874 55.194 56.048 0.033 0.000 1.204 2 H CB 1.264 31.058 29.762 0.053 0.000 1.492 2 H HN 0.852 nan 8.280 nan 0.000 0.499 3 I N 3.246 123.640 120.570 -0.294 0.000 2.571 3 I HA 0.121 4.291 4.170 -0.000 0.000 0.286 3 I C -0.345 175.617 176.117 -0.258 0.000 1.134 3 I CA -0.837 60.273 61.300 -0.317 0.000 1.052 3 I CB 2.126 40.050 38.000 -0.127 0.000 1.237 3 I HN 0.567 nan 8.210 nan 0.000 0.435 4 D N 3.157 123.386 120.400 -0.284 0.000 2.194 4 D HA -0.064 4.576 4.640 -0.000 0.000 0.204 4 D C 0.179 176.444 176.300 -0.058 0.000 0.964 4 D CA 0.632 54.569 54.000 -0.104 0.000 0.846 4 D CB -0.023 40.740 40.800 -0.062 0.000 0.962 4 D HN 0.478 nan 8.370 nan 0.000 0.490 5 N N 0.907 119.562 118.700 -0.075 0.000 2.444 5 N HA 0.134 4.874 4.740 -0.000 0.000 0.271 5 N C 0.278 175.745 175.510 -0.071 0.000 1.069 5 N CA -0.239 52.779 53.050 -0.054 0.000 0.965 5 N CB 2.572 41.028 38.487 -0.051 0.000 1.092 5 N HN 0.106 nan 8.380 nan 0.000 0.476 6 I N 1.303 121.820 120.570 -0.088 0.000 3.428 6 I HA -0.068 4.102 4.170 -0.000 0.000 0.286 6 I C 1.757 177.766 176.117 -0.181 0.000 1.287 6 I CA 0.511 61.716 61.300 -0.159 0.000 1.396 6 I CB 0.094 37.936 38.000 -0.264 0.000 1.062 6 I HN 0.521 nan 8.210 nan 0.000 0.471 7 E N 0.845 120.976 120.200 -0.115 0.000 2.153 7 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 7 E C 0.821 177.381 176.600 -0.066 0.000 0.988 7 E CA 1.039 57.393 56.400 -0.078 0.000 0.811 7 E CB -0.138 29.539 29.700 -0.038 0.000 0.746 7 E HN 0.654 nan 8.360 nan 0.000 0.466 8 N N 0.289 118.951 118.700 -0.064 0.000 2.322 8 N HA 0.065 4.805 4.740 -0.000 0.000 0.216 8 N C -0.786 174.697 175.510 -0.045 0.000 1.144 8 N CA -0.369 52.651 53.050 -0.050 0.000 0.830 8 N CB 0.402 38.860 38.487 -0.049 0.000 1.034 8 N HN -0.057 nan 8.380 nan 0.000 0.484 9 L N 0.435 121.624 121.223 -0.056 0.000 2.333 9 L HA 0.320 4.660 4.340 -0.000 0.000 0.280 9 L C 0.959 177.800 176.870 -0.048 0.000 1.004 9 L CA -0.142 54.673 54.840 -0.041 0.000 0.820 9 L CB 1.654 43.693 42.059 -0.034 0.000 1.247 9 L HN -0.063 nan 8.230 nan 0.000 0.416 10 S N 1.509 117.184 115.700 -0.042 0.000 2.452 10 S HA 0.220 4.690 4.470 -0.000 0.000 0.225 10 S C 0.432 174.984 174.600 -0.080 0.000 1.057 10 S CA -0.084 58.084 58.200 -0.053 0.000 0.949 10 S CB -0.014 63.161 63.200 -0.041 0.000 0.836 10 S HN 0.635 nan 8.310 nan 0.000 0.518 11 D N 0.951 121.283 120.400 -0.114 0.000 2.217 11 D HA 0.464 5.104 4.640 -0.000 0.000 0.248 11 D C 0.335 176.463 176.300 -0.287 0.000 1.008 11 D CA -0.482 53.395 54.000 -0.206 0.000 0.914 11 D CB 1.138 41.781 40.800 -0.262 0.000 1.182 11 D HN 0.147 nan 8.370 nan 0.000 0.451 12 R N 1.362 121.665 120.500 -0.329 0.000 2.538 12 R HA 0.113 4.452 4.340 -0.000 0.000 0.372 12 R C -0.169 175.934 176.300 -0.328 0.000 0.950 12 R CA -0.260 55.682 56.100 -0.264 0.000 1.168 12 R CB 0.771 31.025 30.300 -0.078 0.000 1.542 12 R HN 0.495 nan 8.270 nan 0.000 0.536 13 E N 0.969 120.876 120.200 -0.489 0.000 2.179 13 E HA 0.486 4.836 4.350 -0.000 0.000 0.275 13 E C -1.094 175.076 176.600 -0.717 0.000 0.945 13 E CA -0.538 55.626 56.400 -0.394 0.000 0.792 13 E CB 1.034 30.611 29.700 -0.205 0.000 1.125 13 E HN -0.153 nan 8.360 nan 0.000 0.397 14 F N 0.830 120.747 119.950 -0.054 0.000 2.664 14 F HA 0.269 4.796 4.527 -0.000 0.000 0.329 14 F C 1.080 176.814 175.800 -0.110 0.000 1.090 14 F CA -0.941 57.024 58.000 -0.058 0.000 0.978 14 F CB 1.282 40.264 39.000 -0.031 0.000 1.378 14 F HN 0.410 nan 8.300 nan 0.000 0.495 15 D N -0.260 120.179 120.400 0.064 0.000 2.097 15 D HA -0.149 4.491 4.640 -0.000 0.000 0.195 15 D C -0.442 175.577 176.300 -0.470 0.000 0.989 15 D CA 2.106 55.946 54.000 -0.267 0.000 0.827 15 D CB -0.035 40.588 40.800 -0.296 0.000 0.966 15 D HN 0.342 nan 8.370 nan 0.000 0.456 16 Y N -0.612 119.763 120.300 0.125 0.000 2.421 16 Y HA 0.458 5.008 4.550 -0.000 0.000 0.339 16 Y C -0.125 175.783 175.900 0.013 0.000 0.996 16 Y CA -0.745 57.393 58.100 0.063 0.000 1.046 16 Y CB 2.276 40.763 38.460 0.045 0.000 1.226 16 Y HN -0.296 nan 8.280 nan 0.000 0.445 17 I N 4.571 125.241 120.570 0.167 0.000 2.436 17 I HA 0.487 4.657 4.170 -0.000 0.000 0.289 17 I C -1.107 175.036 176.117 0.043 0.000 1.010 17 I CA -1.115 60.212 61.300 0.043 0.000 1.098 17 I CB 1.989 40.017 38.000 0.046 0.000 1.266 17 I HN 0.381 nan 8.210 nan 0.000 0.434 18 V N 7.305 127.219 119.914 -0.000 0.000 2.540 18 V HA 0.570 4.690 4.120 -0.000 0.000 0.302 18 V C -0.914 175.177 176.094 -0.005 0.000 1.035 18 V CA -0.306 61.997 62.300 0.006 0.000 0.873 18 V CB 2.010 33.837 31.823 0.007 0.000 0.992 18 V HN 0.405 nan 8.190 nan 0.000 0.428 19 V N 6.220 126.135 119.914 0.002 0.000 2.370 19 V HA 0.903 5.023 4.120 -0.000 0.000 0.279 19 V C 0.733 176.840 176.094 0.022 0.000 1.029 19 V CA 0.566 62.870 62.300 0.007 0.000 0.870 19 V CB 0.561 32.383 31.823 -0.001 0.000 0.984 19 V HN 1.838 nan 8.190 nan 0.000 0.451 20 G N 3.623 112.450 108.800 0.044 0.000 3.434 20 G HA2 0.116 4.076 3.960 -0.000 0.000 0.686 20 G HA3 0.116 4.076 3.960 -0.000 0.000 0.686 20 G C 0.175 175.111 174.900 0.060 0.000 1.099 20 G CA -0.472 44.667 45.100 0.066 0.000 0.931 20 G HN 1.300 nan 8.290 nan 0.000 0.520 21 G N 0.933 109.782 108.800 0.082 0.000 3.814 21 G HA2 0.648 4.608 3.960 -0.000 0.000 0.293 21 G HA3 0.648 4.608 3.960 -0.000 0.000 0.293 21 G C 0.966 175.907 174.900 0.069 0.000 1.243 21 G CA 0.923 46.069 45.100 0.077 0.000 1.053 21 G HN 1.252 nan 8.290 nan 0.000 0.562 22 G N 0.254 109.089 108.800 0.057 0.000 2.582 22 G HA2 0.335 4.295 3.960 -0.000 0.000 0.232 22 G HA3 0.335 4.295 3.960 -0.000 0.000 0.232 22 G C 1.333 176.250 174.900 0.029 0.000 1.458 22 G CA 0.523 45.654 45.100 0.052 0.000 1.062 22 G HN 0.188 nan 8.290 nan 0.000 0.566 23 S N 0.071 115.790 115.700 0.032 0.000 2.377 23 S HA -0.231 4.239 4.470 -0.000 0.000 0.224 23 S C 2.691 177.274 174.600 -0.027 0.000 1.042 23 S CA 2.095 60.310 58.200 0.026 0.000 1.086 23 S CB -0.728 62.498 63.200 0.043 0.000 0.995 23 S HN 0.804 nan 8.310 nan 0.000 0.428 24 A N 1.388 124.190 122.820 -0.029 0.000 1.840 24 A HA 0.234 4.554 4.320 -0.000 0.000 0.214 24 A C 2.428 179.951 177.584 -0.101 0.000 1.198 24 A CA 1.597 53.594 52.037 -0.067 0.000 0.608 24 A CB -1.688 17.295 19.000 -0.028 0.000 0.839 24 A HN 0.529 nan 8.150 nan 0.000 0.443 25 G N 0.002 108.771 108.800 -0.052 0.000 2.624 25 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.221 25 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.221 25 G C 1.793 176.656 174.900 -0.062 0.000 1.169 25 G CA 2.355 47.431 45.100 -0.039 0.000 0.771 25 G HN 0.961 nan 8.290 nan 0.000 0.598 26 A N 1.069 123.850 122.820 -0.066 0.000 1.865 26 A HA 0.160 4.480 4.320 -0.000 0.000 0.217 26 A C 2.904 180.319 177.584 -0.281 0.000 1.191 26 A CA 2.878 54.870 52.037 -0.076 0.000 0.623 26 A CB -1.031 17.966 19.000 -0.005 0.000 0.826 26 A HN 1.106 nan 8.150 nan 0.000 0.444 27 A N -0.658 121.789 122.820 -0.622 0.000 1.877 27 A HA -0.032 4.287 4.320 -0.000 0.000 0.216 27 A C 2.241 179.578 177.584 -0.410 0.000 1.186 27 A CA 1.899 53.334 52.037 -1.003 0.000 0.620 27 A CB -1.132 17.220 19.000 -1.081 0.000 0.822 27 A HN 0.469 nan 8.150 nan 0.000 0.443 28 V N -0.221 119.544 119.914 -0.248 0.000 2.324 28 V HA -0.314 3.806 4.120 -0.000 0.000 0.250 28 V C 2.989 179.017 176.094 -0.109 0.000 1.060 28 V CA 2.291 64.506 62.300 -0.142 0.000 1.042 28 V CB -1.242 30.528 31.823 -0.088 0.000 0.650 28 V HN 0.658 nan 8.190 nan 0.000 0.450 29 A N -0.406 122.374 122.820 -0.066 0.000 1.855 29 A HA 0.089 4.408 4.320 -0.000 0.000 0.213 29 A C 2.439 180.042 177.584 0.033 0.000 1.195 29 A CA 1.575 53.633 52.037 0.034 0.000 0.610 29 A CB -0.932 18.159 19.000 0.152 0.000 0.837 29 A HN 0.550 nan 8.150 nan 0.000 0.444 30 A N -0.246 122.550 122.820 -0.039 0.000 1.948 30 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 30 A C 2.242 179.809 177.584 -0.029 0.000 1.177 30 A CA 1.847 53.836 52.037 -0.079 0.000 0.636 30 A CB -0.470 18.537 19.000 0.012 0.000 0.815 30 A HN 0.392 nan 8.150 nan 0.000 0.449 31 R N -0.592 119.885 120.500 -0.038 0.000 2.055 31 R HA 0.049 4.389 4.340 -0.000 0.000 0.228 31 R C 2.186 178.464 176.300 -0.035 0.000 1.143 31 R CA 1.163 57.249 56.100 -0.024 0.000 0.945 31 R CB -1.316 28.955 30.300 -0.048 0.000 0.841 31 R HN 0.585 nan 8.270 nan 0.000 0.429 32 L N 1.586 122.767 121.223 -0.070 0.000 2.089 32 L HA -0.179 4.160 4.340 -0.000 0.000 0.213 32 L C 1.740 178.609 176.870 -0.002 0.000 1.079 32 L CA 1.719 56.494 54.840 -0.108 0.000 0.758 32 L CB -0.492 41.422 42.059 -0.242 0.000 0.891 32 L HN 0.233 nan 8.230 nan 0.000 0.433 33 S N -1.638 114.093 115.700 0.052 0.000 2.768 33 S HA 0.053 4.523 4.470 -0.000 0.000 0.246 33 S C 0.994 175.627 174.600 0.054 0.000 1.006 33 S CA -0.279 57.982 58.200 0.101 0.000 1.075 33 S CB -0.104 63.203 63.200 0.178 0.000 0.786 33 S HN 0.413 nan 8.310 nan 0.000 0.468 34 E N 0.694 120.914 120.200 0.033 0.000 2.415 34 E HA 0.042 4.392 4.350 -0.000 0.000 0.197 34 E C -0.307 176.315 176.600 0.037 0.000 1.007 34 E CA 0.053 56.468 56.400 0.026 0.000 0.890 34 E CB 0.182 29.891 29.700 0.015 0.000 0.891 34 E HN 0.518 nan 8.360 nan 0.000 0.496 35 D N 1.531 121.962 120.400 0.051 0.000 2.428 35 D HA 0.045 4.685 4.640 -0.000 0.000 0.221 35 D C -1.786 174.564 176.300 0.083 0.000 1.123 35 D CA -2.509 51.529 54.000 0.063 0.000 0.869 35 D CB 1.235 42.076 40.800 0.068 0.000 1.032 35 D HN -0.107 nan 8.370 nan 0.000 0.506 36 P HA 0.043 nan 4.420 nan 0.000 0.242 36 P C 0.499 177.847 177.300 0.079 0.000 1.197 36 P CA 0.166 63.313 63.100 0.079 0.000 0.765 36 P CB 0.172 31.910 31.700 0.062 0.000 0.936 37 A N -0.563 122.302 122.820 0.076 0.000 2.359 37 A HA 0.352 4.672 4.320 -0.000 0.000 0.240 37 A C 0.451 178.088 177.584 0.089 0.000 1.306 37 A CA -0.037 52.042 52.037 0.071 0.000 0.898 37 A CB -0.308 18.727 19.000 0.058 0.000 0.956 37 A HN 0.155 nan 8.150 nan 0.000 0.497 38 V N -0.107 119.878 119.914 0.119 0.000 3.049 38 V HA 0.558 4.678 4.120 -0.000 0.000 0.309 38 V C -0.714 175.488 176.094 0.179 0.000 1.148 38 V CA -0.350 62.045 62.300 0.159 0.000 0.990 38 V CB 2.725 34.700 31.823 0.253 0.000 1.039 38 V HN 0.416 nan 8.190 nan 0.000 0.430 39 S N 3.245 119.063 115.700 0.196 0.000 2.532 39 S HA 0.919 5.389 4.470 -0.000 0.000 0.301 39 S C -1.027 173.723 174.600 0.249 0.000 1.083 39 S CA -0.775 57.565 58.200 0.234 0.000 1.025 39 S CB 1.964 65.332 63.200 0.280 0.000 1.056 39 S HN 0.642 nan 8.310 nan 0.000 0.494 40 V N 0.903 120.907 119.914 0.151 0.000 2.686 40 V HA 0.792 4.912 4.120 -0.000 0.000 0.306 40 V C -0.260 175.592 176.094 -0.403 0.000 1.065 40 V CA -0.785 61.532 62.300 0.029 0.000 0.894 40 V CB 1.641 33.586 31.823 0.203 0.000 1.004 40 V HN 1.195 nan 8.190 nan 0.000 0.424 41 A N 4.317 126.751 122.820 -0.643 0.000 2.317 41 A HA 0.888 5.208 4.320 -0.000 0.000 0.327 41 A C -1.105 176.231 177.584 -0.414 0.000 1.178 41 A CA -0.508 51.038 52.037 -0.819 0.000 0.817 41 A CB 1.217 19.479 19.000 -1.231 0.000 1.189 41 A HN 0.865 nan 8.150 nan 0.000 0.489 42 L N 3.872 124.851 121.223 -0.408 0.000 2.295 42 L HA 0.531 4.870 4.340 -0.000 0.000 0.281 42 L C -0.847 175.956 176.870 -0.113 0.000 1.018 42 L CA -0.171 54.581 54.840 -0.147 0.000 0.841 42 L CB 1.399 43.482 42.059 0.040 0.000 1.218 42 L HN 0.385 nan 8.230 nan 0.000 0.424 43 V N 4.371 124.247 119.914 -0.064 0.000 2.368 43 V HA 0.449 4.569 4.120 -0.000 0.000 0.266 43 V C -0.105 176.011 176.094 0.037 0.000 1.045 43 V CA -0.517 61.772 62.300 -0.017 0.000 0.899 43 V CB 0.971 32.787 31.823 -0.012 0.000 1.006 43 V HN 0.773 nan 8.190 nan 0.000 0.470 44 E N 4.631 124.869 120.200 0.063 0.000 2.191 44 E HA 0.640 4.990 4.350 -0.000 0.000 0.263 44 E C 0.663 177.337 176.600 0.123 0.000 0.881 44 E CA -0.121 56.342 56.400 0.104 0.000 0.757 44 E CB 1.735 31.498 29.700 0.106 0.000 1.147 44 E HN 0.571 nan 8.360 nan 0.000 0.414 45 A N 3.835 126.761 122.820 0.176 0.000 2.024 45 A HA 0.103 4.423 4.320 -0.000 0.000 0.220 45 A C 1.244 178.884 177.584 0.093 0.000 1.164 45 A CA 1.336 53.485 52.037 0.187 0.000 0.643 45 A CB -0.760 18.455 19.000 0.359 0.000 0.806 45 A HN 0.603 nan 8.150 nan 0.000 0.451 46 G N -0.876 107.970 108.800 0.077 0.000 2.547 46 G HA2 0.475 4.435 3.960 -0.000 0.000 0.291 46 G HA3 0.475 4.435 3.960 -0.000 0.000 0.291 46 G C -2.389 172.536 174.900 0.041 0.000 1.211 46 G CA -1.244 43.854 45.100 -0.004 0.000 0.950 46 G HN 0.190 nan 8.290 nan 0.000 0.504 47 P HA 0.101 nan 4.420 nan 0.000 0.275 47 P C -0.689 176.681 177.300 0.118 0.000 1.270 47 P CA -0.310 62.838 63.100 0.079 0.000 0.791 47 P CB 0.744 32.487 31.700 0.072 0.000 1.089 48 D N -0.660 119.813 120.400 0.121 0.000 2.225 48 D HA 0.034 4.674 4.640 -0.000 0.000 0.249 48 D C 0.745 177.102 176.300 0.095 0.000 1.052 48 D CA -0.252 53.795 54.000 0.078 0.000 0.909 48 D CB 0.688 41.491 40.800 0.007 0.000 1.186 48 D HN 0.242 nan 8.370 nan 0.000 0.431 49 D N 2.348 122.807 120.400 0.098 0.000 2.194 49 D HA -0.106 4.534 4.640 -0.000 0.000 0.204 49 D C 0.197 176.545 176.300 0.080 0.000 0.964 49 D CA 0.318 54.386 54.000 0.114 0.000 0.846 49 D CB -0.269 40.619 40.800 0.147 0.000 0.962 49 D HN 0.301 nan 8.370 nan 0.000 0.490 50 R N 0.499 120.999 120.500 -0.001 0.000 2.504 50 R HA 0.318 4.658 4.340 -0.000 0.000 0.291 50 R C 1.307 177.602 176.300 -0.008 0.000 0.974 50 R CA 0.868 56.924 56.100 -0.073 0.000 1.077 50 R CB -0.212 29.945 30.300 -0.238 0.000 0.926 50 R HN 0.359 nan 8.270 nan 0.000 0.407 51 G N 1.383 110.188 108.800 0.008 0.000 2.179 51 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 51 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 51 G C 0.083 175.007 174.900 0.040 0.000 0.977 51 G CA 0.046 45.160 45.100 0.024 0.000 0.641 51 G HN 0.448 nan 8.290 nan 0.000 0.533 52 V N 2.240 122.179 119.914 0.041 0.000 2.334 52 V HA 0.318 4.438 4.120 -0.000 0.000 0.267 52 V C -0.163 175.932 176.094 0.002 0.000 1.040 52 V CA -0.687 61.633 62.300 0.032 0.000 0.866 52 V CB 1.358 33.193 31.823 0.020 0.000 1.019 52 V HN 0.149 nan 8.190 nan 0.000 0.468 53 P HA -0.153 nan 4.420 nan 0.000 0.217 53 P C 1.275 178.570 177.300 -0.009 0.000 1.151 53 P CA 1.091 64.196 63.100 0.009 0.000 0.828 53 P CB 0.362 32.074 31.700 0.020 0.000 0.788 54 E N 0.794 120.966 120.200 -0.047 0.000 2.347 54 E HA -0.071 4.279 4.350 -0.000 0.000 0.196 54 E C 1.845 178.379 176.600 -0.110 0.000 1.008 54 E CA 1.186 57.542 56.400 -0.073 0.000 0.852 54 E CB -0.957 28.689 29.700 -0.090 0.000 0.783 54 E HN 0.274 nan 8.360 nan 0.000 0.505 55 V N -1.041 118.781 119.914 -0.152 0.000 2.825 55 V HA 0.022 4.142 4.120 -0.000 0.000 0.246 55 V C 2.268 178.363 176.094 0.002 0.000 1.068 55 V CA 0.311 62.554 62.300 -0.095 0.000 1.088 55 V CB -0.465 31.273 31.823 -0.142 0.000 0.733 55 V HN 0.124 nan 8.190 nan 0.000 0.468 56 L N -0.010 121.217 121.223 0.008 0.000 2.044 56 L HA 0.020 4.360 4.340 -0.000 0.000 0.205 56 L C 1.810 178.706 176.870 0.043 0.000 1.075 56 L CA 1.108 55.967 54.840 0.032 0.000 0.747 56 L CB -0.473 41.611 42.059 0.041 0.000 0.903 56 L HN 0.338 nan 8.230 nan 0.000 0.435 57 Q N 1.291 121.120 119.800 0.049 0.000 2.276 57 Q HA -0.053 4.287 4.340 -0.000 0.000 0.267 57 Q C 1.029 177.098 176.000 0.115 0.000 1.135 57 Q CA -0.165 55.681 55.803 0.070 0.000 0.910 57 Q CB 1.054 29.833 28.738 0.068 0.000 1.271 57 Q HN 0.211 nan 8.270 nan 0.000 0.417 58 L N 4.552 125.848 121.223 0.121 0.000 2.079 58 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 58 L C 1.556 178.618 176.870 0.322 0.000 1.081 58 L CA 2.305 57.259 54.840 0.190 0.000 0.752 58 L CB -0.227 41.904 42.059 0.120 0.000 0.896 58 L HN 0.666 nan 8.230 nan 0.000 0.433 59 D N -1.418 119.127 120.400 0.242 0.000 2.378 59 D HA -0.163 4.477 4.640 -0.000 0.000 0.227 59 D C 1.649 178.203 176.300 0.423 0.000 1.012 59 D CA 0.694 54.891 54.000 0.329 0.000 0.905 59 D CB -0.381 40.512 40.800 0.154 0.000 0.895 59 D HN 0.443 nan 8.370 nan 0.000 0.532 60 R N -0.034 120.626 120.500 0.266 0.000 2.334 60 R HA 0.085 4.425 4.340 -0.000 0.000 0.212 60 R C 1.682 177.998 176.300 0.027 0.000 0.897 60 R CA 0.061 56.237 56.100 0.127 0.000 1.056 60 R CB -0.285 30.065 30.300 0.084 0.000 1.046 60 R HN 0.425 nan 8.270 nan 0.000 0.513 61 W N 0.842 122.206 121.300 0.106 0.000 2.336 61 W HA -0.203 4.457 4.660 -0.000 0.000 0.277 61 W C 0.965 177.478 176.519 -0.010 0.000 1.211 61 W CA 0.688 58.056 57.345 0.037 0.000 1.187 61 W CB -0.636 28.848 29.460 0.040 0.000 1.132 61 W HN 0.012 nan 8.180 nan 0.000 0.562 62 M N 1.133 120.196 119.600 -0.894 0.000 2.394 62 M HA -0.094 4.386 4.480 -0.000 0.000 0.264 62 M C 1.801 177.877 176.300 -0.373 0.000 1.073 62 M CA 1.560 56.291 55.300 -0.949 0.000 1.111 62 M CB -0.310 31.678 32.600 -1.021 0.000 1.401 62 M HN -0.011 nan 8.290 nan 0.000 0.448 63 E N 0.461 120.524 120.200 -0.228 0.000 2.478 63 E HA -0.092 4.258 4.350 -0.000 0.000 0.198 63 E C 1.571 178.152 176.600 -0.030 0.000 1.046 63 E CA 0.660 56.996 56.400 -0.107 0.000 0.870 63 E CB -0.128 29.531 29.700 -0.069 0.000 0.818 63 E HN 0.553 nan 8.360 nan 0.000 0.527 64 L N 0.460 121.677 121.223 -0.011 0.000 2.446 64 L HA 0.074 4.414 4.340 -0.000 0.000 0.219 64 L C 0.817 177.748 176.870 0.102 0.000 1.116 64 L CA -0.033 54.858 54.840 0.084 0.000 0.844 64 L CB -0.098 42.039 42.059 0.131 0.000 0.970 64 L HN 0.073 nan 8.230 nan 0.000 0.457 65 L N 1.622 122.855 121.223 0.017 0.000 2.565 65 L HA 0.005 4.345 4.340 -0.000 0.000 0.275 65 L C 0.501 177.401 176.870 0.051 0.000 1.137 65 L CA 0.393 55.248 54.840 0.025 0.000 0.915 65 L CB -0.077 41.962 42.059 -0.033 0.000 1.232 65 L HN 0.312 nan 8.230 nan 0.000 0.473 66 E N -0.482 119.771 120.200 0.087 0.000 4.129 66 E HA -0.202 4.148 4.350 -0.000 0.000 0.354 66 E C 0.633 177.266 176.600 0.055 0.000 0.673 66 E CA 0.750 57.191 56.400 0.068 0.000 1.347 66 E CB -0.865 28.867 29.700 0.053 0.000 1.722 66 E HN 0.843 nan 8.360 nan 0.000 0.410 67 S N -0.681 115.068 115.700 0.081 0.000 2.618 67 S HA 0.290 4.760 4.470 -0.000 0.000 0.254 67 S C 1.459 176.085 174.600 0.044 0.000 1.284 67 S CA -0.020 58.237 58.200 0.094 0.000 0.975 67 S CB 0.620 63.937 63.200 0.195 0.000 1.022 67 S HN 0.376 nan 8.310 nan 0.000 0.571 68 G N -1.328 107.457 108.800 -0.025 0.000 3.181 68 G HA2 0.194 4.153 3.960 -0.000 0.000 0.219 68 G HA3 0.194 4.153 3.960 -0.000 0.000 0.219 68 G C 0.166 174.823 174.900 -0.404 0.000 1.182 68 G CA -0.108 44.856 45.100 -0.226 0.000 0.791 68 G HN 0.703 nan 8.290 nan 0.000 0.537 69 Y N -0.422 119.839 120.300 -0.066 0.000 2.458 69 Y HA 0.256 4.806 4.550 -0.000 0.000 0.256 69 Y C 0.355 176.200 175.900 -0.093 0.000 1.159 69 Y CA -0.799 57.254 58.100 -0.077 0.000 1.261 69 Y CB 0.806 39.268 38.460 0.003 0.000 1.119 69 Y HN 0.066 nan 8.280 nan 0.000 0.524 70 D N -1.206 119.212 120.400 0.029 0.000 2.344 70 D HA 0.078 4.717 4.640 -0.000 0.000 0.239 70 D C 0.062 176.325 176.300 -0.061 0.000 1.064 70 D CA -0.781 53.258 54.000 0.066 0.000 0.829 70 D CB 0.710 41.597 40.800 0.145 0.000 1.129 70 D HN 0.102 nan 8.370 nan 0.000 0.506 71 W N 1.901 123.112 121.300 -0.148 0.000 2.392 71 W HA -0.048 4.612 4.660 -0.000 0.000 0.279 71 W C 0.602 176.857 176.519 -0.441 0.000 1.225 71 W CA 0.396 57.517 57.345 -0.374 0.000 1.233 71 W CB -0.134 28.884 29.460 -0.737 0.000 1.122 71 W HN 0.473 nan 8.180 nan 0.000 0.561 72 D N -0.541 119.833 120.400 -0.044 0.000 3.617 72 D HA -0.242 4.398 4.640 -0.000 0.000 0.226 72 D C -1.480 174.830 176.300 0.018 0.000 1.125 72 D CA 0.663 54.683 54.000 0.032 0.000 1.083 72 D CB -1.223 39.616 40.800 0.065 0.000 0.833 72 D HN 0.085 nan 8.370 nan 0.000 0.399 73 Y N 3.278 123.731 120.300 0.255 0.000 2.353 73 Y HA 0.440 4.990 4.550 -0.000 0.000 0.340 73 Y C -1.543 174.465 175.900 0.180 0.000 0.972 73 Y CA -2.291 55.919 58.100 0.184 0.000 1.157 73 Y CB 1.295 39.841 38.460 0.143 0.000 1.157 73 Y HN 0.137 nan 8.280 nan 0.000 0.495 74 P HA 0.340 nan 4.420 nan 0.000 0.278 74 P C -0.249 177.136 177.300 0.141 0.000 1.258 74 P CA -0.451 62.762 63.100 0.188 0.000 0.811 74 P CB 1.794 33.564 31.700 0.117 0.000 1.063 75 I N -2.247 118.393 120.570 0.116 0.000 2.793 75 I HA 0.499 4.669 4.170 -0.000 0.000 0.313 75 I C 0.090 176.223 176.117 0.026 0.000 0.998 75 I CA -1.098 60.245 61.300 0.072 0.000 1.140 75 I CB 0.979 39.061 38.000 0.136 0.000 1.327 75 I HN 0.091 nan 8.210 nan 0.000 0.491 76 E N 2.554 122.753 120.200 -0.002 0.000 2.366 76 E HA 0.337 4.687 4.350 -0.000 0.000 0.266 76 E C -2.327 174.276 176.600 0.005 0.000 1.051 76 E CA -1.746 54.647 56.400 -0.012 0.000 0.884 76 E CB 0.225 29.906 29.700 -0.030 0.000 1.006 76 E HN 0.427 nan 8.360 nan 0.000 0.417 77 P HA -0.100 nan 4.420 nan 0.000 0.263 77 P C -0.486 176.841 177.300 0.046 0.000 1.168 77 P CA 0.618 63.723 63.100 0.009 0.000 0.759 77 P CB 0.416 32.116 31.700 -0.001 0.000 0.782 78 Q N 2.367 122.222 119.800 0.090 0.000 2.307 78 Q HA 0.100 4.440 4.340 -0.000 0.000 0.262 78 Q C 1.076 177.157 176.000 0.133 0.000 0.961 78 Q CA -0.249 55.638 55.803 0.140 0.000 0.882 78 Q CB 1.439 30.332 28.738 0.258 0.000 1.264 78 Q HN 0.551 nan 8.270 nan 0.000 0.446 79 E N 0.866 121.133 120.200 0.112 0.000 2.152 79 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 79 E C 0.504 177.175 176.600 0.118 0.000 0.983 79 E CA 0.767 57.224 56.400 0.095 0.000 0.818 79 E CB 0.220 29.961 29.700 0.069 0.000 0.758 79 E HN 0.218 nan 8.360 nan 0.000 0.467 80 N N 0.192 118.991 118.700 0.164 0.000 2.553 80 N HA 0.260 5.000 4.740 -0.000 0.000 0.298 80 N C -1.004 174.667 175.510 0.268 0.000 1.596 80 N CA 0.188 53.345 53.050 0.178 0.000 0.910 80 N CB 1.273 39.864 38.487 0.173 0.000 1.336 80 N HN 0.255 nan 8.380 nan 0.000 0.497 81 G N -0.315 108.671 108.800 0.311 0.000 2.494 81 G HA2 0.136 4.096 3.960 -0.000 0.000 0.308 81 G HA3 0.136 4.096 3.960 -0.000 0.000 0.308 81 G C -1.734 173.406 174.900 0.400 0.000 1.263 81 G CA -0.734 44.668 45.100 0.503 0.000 0.840 81 G HN 0.197 nan 8.290 nan 0.000 0.479 82 N N 0.089 119.027 118.700 0.395 0.000 2.485 82 N HA 0.418 5.158 4.740 -0.000 0.000 0.243 82 N C 0.996 176.585 175.510 0.131 0.000 0.987 82 N CA -0.010 53.094 53.050 0.090 0.000 0.940 82 N CB 1.614 39.929 38.487 -0.287 0.000 1.122 82 N HN 0.190 nan 8.380 nan 0.000 0.509 83 S N 2.459 118.253 115.700 0.158 0.000 2.453 83 S HA 0.010 4.480 4.470 -0.000 0.000 0.231 83 S C 0.880 175.440 174.600 -0.067 0.000 1.005 83 S CA 0.591 58.817 58.200 0.043 0.000 0.949 83 S CB -0.286 62.895 63.200 -0.031 0.000 0.774 83 S HN 0.608 nan 8.310 nan 0.000 0.510 84 F N 1.155 121.120 119.950 0.026 0.000 2.811 84 F HA 0.302 4.829 4.527 -0.000 0.000 0.301 84 F C 0.957 176.757 175.800 -0.000 0.000 1.151 84 F CA 0.085 58.088 58.000 0.006 0.000 1.412 84 F CB -0.235 38.750 39.000 -0.026 0.000 1.113 84 F HN 0.173 nan 8.300 nan 0.000 0.579 85 M N 1.066 120.741 119.600 0.126 0.000 2.250 85 M HA 0.374 4.854 4.480 -0.000 0.000 0.344 85 M C -0.320 176.064 176.300 0.141 0.000 1.150 85 M CA 0.088 55.432 55.300 0.072 0.000 1.147 85 M CB 0.819 33.401 32.600 -0.030 0.000 1.498 85 M HN 0.001 nan 8.290 nan 0.000 0.461 86 R N 1.788 122.376 120.500 0.147 0.000 2.854 86 R HA 0.408 4.747 4.340 -0.000 0.000 0.271 86 R C -0.962 175.497 176.300 0.265 0.000 0.994 86 R CA -0.919 55.314 56.100 0.220 0.000 0.945 86 R CB 1.505 31.920 30.300 0.193 0.000 1.194 86 R HN 0.698 nan 8.270 nan 0.000 0.476 87 H N 0.951 120.173 119.070 0.253 0.000 2.572 87 H HA 0.252 4.808 4.556 -0.000 0.000 0.248 87 H C -0.442 175.123 175.328 0.396 0.000 1.397 87 H CA -0.341 55.895 56.048 0.312 0.000 1.319 87 H CB 1.135 31.069 29.762 0.286 0.000 1.452 87 H HN 0.714 nan 8.280 nan 0.000 0.535 88 A N 3.891 127.002 122.820 0.486 0.000 2.567 88 A HA 0.106 4.426 4.320 -0.000 0.000 0.240 88 A C 0.320 178.220 177.584 0.526 0.000 1.053 88 A CA 0.410 52.717 52.037 0.449 0.000 0.755 88 A CB 0.188 19.394 19.000 0.343 0.000 0.978 88 A HN 0.596 nan 8.150 nan 0.000 0.507 89 R N 1.235 121.986 120.500 0.418 0.000 2.510 89 R HA 0.482 4.822 4.340 -0.000 0.000 0.287 89 R C -0.447 176.001 176.300 0.248 0.000 1.084 89 R CA -0.170 56.123 56.100 0.322 0.000 0.934 89 R CB 1.669 32.189 30.300 0.366 0.000 1.201 89 R HN 0.936 nan 8.270 nan 0.000 0.431 90 A N 2.808 125.505 122.820 -0.205 0.000 2.477 90 A HA 0.196 4.516 4.320 -0.000 0.000 0.246 90 A C 0.018 177.677 177.584 0.125 0.000 1.078 90 A CA 0.131 52.086 52.037 -0.137 0.000 0.770 90 A CB 0.335 19.098 19.000 -0.395 0.000 1.011 90 A HN 0.555 nan 8.150 nan 0.000 0.494 91 K N 2.312 122.692 120.400 -0.033 0.000 2.478 91 K HA 0.543 4.863 4.320 -0.000 0.000 0.236 91 K C -1.324 175.267 176.600 -0.015 0.000 1.021 91 K CA -0.205 55.970 56.287 -0.188 0.000 1.010 91 K CB 0.810 32.741 32.500 -0.949 0.000 1.331 91 K HN 0.814 nan 8.250 nan 0.000 0.470 92 V N 3.131 123.099 119.914 0.089 0.000 3.001 92 V HA 0.109 4.229 4.120 -0.000 0.000 0.265 92 V C -1.603 174.564 176.094 0.121 0.000 1.881 92 V CA -1.053 61.323 62.300 0.127 0.000 0.928 92 V CB 1.694 33.635 31.823 0.196 0.000 1.374 92 V HN 0.623 nan 8.190 nan 0.000 0.440 93 M N 3.193 122.864 119.600 0.118 0.000 2.286 93 M HA 0.305 4.785 4.480 -0.000 0.000 0.365 93 M C 1.491 177.850 176.300 0.097 0.000 1.443 93 M CA 1.873 57.240 55.300 0.112 0.000 0.951 93 M CB -0.814 31.859 32.600 0.121 0.000 1.961 93 M HN 1.849 nan 8.290 nan 0.000 0.468 94 G N 2.471 111.322 108.800 0.085 0.000 2.176 94 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.253 94 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.253 94 G C 0.835 175.771 174.900 0.061 0.000 0.979 94 G CA 0.441 45.579 45.100 0.063 0.000 0.641 94 G HN 1.478 nan 8.290 nan 0.000 0.530 95 G N -0.900 107.943 108.800 0.072 0.000 2.594 95 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.297 95 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.297 95 G C 1.380 176.279 174.900 -0.001 0.000 1.273 95 G CA 1.166 46.303 45.100 0.062 0.000 0.974 95 G HN 1.387 nan 8.290 nan 0.000 0.552 96 C N 1.387 120.666 119.300 -0.035 0.000 2.466 96 C HA 0.179 4.639 4.460 -0.000 0.000 0.283 96 C C 3.171 178.209 174.990 0.080 0.000 1.472 96 C CA 1.847 60.798 59.018 -0.111 0.000 1.765 96 C CB -1.750 25.977 27.740 -0.021 0.000 1.724 96 C HN 1.069 nan 8.230 nan 0.000 0.560 97 S N 0.003 115.739 115.700 0.061 0.000 2.489 97 S HA -0.043 4.427 4.470 -0.000 0.000 0.228 97 S C 1.454 176.092 174.600 0.063 0.000 0.995 97 S CA 1.279 59.516 58.200 0.061 0.000 0.934 97 S CB -0.281 62.949 63.200 0.051 0.000 0.771 97 S HN 0.564 nan 8.310 nan 0.000 0.522 98 S N 0.767 116.513 115.700 0.076 0.000 2.575 98 S HA 0.133 4.603 4.470 -0.000 0.000 0.215 98 S C 1.142 175.836 174.600 0.157 0.000 0.966 98 S CA 0.300 58.549 58.200 0.082 0.000 0.911 98 S CB -0.327 62.909 63.200 0.061 0.000 0.780 98 S HN 1.019 nan 8.310 nan 0.000 0.514 99 H N 0.548 119.647 119.070 0.048 0.000 3.170 99 H HA 0.339 4.895 4.556 -0.000 0.000 0.264 99 H C 0.373 175.722 175.328 0.034 0.000 1.113 99 H CA -0.484 55.617 56.048 0.087 0.000 1.194 99 H CB 0.165 29.993 29.762 0.110 0.000 1.553 99 H HN 0.331 nan 8.280 nan 0.000 0.538 100 N N 0.805 119.556 118.700 0.085 0.000 2.447 100 N HA 0.186 4.926 4.740 -0.000 0.000 0.271 100 N C 0.678 175.799 175.510 -0.648 0.000 1.226 100 N CA -0.073 52.772 53.050 -0.343 0.000 0.980 100 N CB 1.019 39.425 38.487 -0.135 0.000 1.206 100 N HN 0.213 nan 8.380 nan 0.000 0.558 101 A N -0.743 121.507 122.820 -0.950 0.000 2.291 101 A HA 0.206 4.526 4.320 -0.000 0.000 0.220 101 A C 0.690 178.056 177.584 -0.363 0.000 1.262 101 A CA -0.253 51.222 52.037 -0.937 0.000 0.867 101 A CB -1.459 17.013 19.000 -0.880 0.000 0.888 101 A HN 0.825 nan 8.150 nan 0.000 0.487 102 C N -1.280 117.868 119.300 -0.254 0.000 4.167 102 C HA -0.193 4.267 4.460 -0.000 0.000 0.293 102 C C 0.800 175.707 174.990 -0.140 0.000 1.489 102 C CA 0.248 59.187 59.018 -0.133 0.000 2.041 102 C CB -3.035 24.664 27.740 -0.069 0.000 1.287 102 C HN 0.625 nan 8.230 nan 0.000 0.791 103 I N 1.128 121.567 120.570 -0.218 0.000 2.598 103 I HA 0.319 4.489 4.170 -0.000 0.000 0.284 103 I C 0.735 176.696 176.117 -0.259 0.000 1.140 103 I CA 0.936 62.027 61.300 -0.348 0.000 1.420 103 I CB 0.478 38.121 38.000 -0.596 0.000 1.387 103 I HN 0.466 nan 8.210 nan 0.000 0.553 104 A N 7.895 130.529 122.820 -0.310 0.000 2.319 104 A HA 0.796 5.116 4.320 -0.000 0.000 0.310 104 A C -1.033 176.382 177.584 -0.282 0.000 1.152 104 A CA -0.304 51.630 52.037 -0.173 0.000 0.783 104 A CB 0.524 19.480 19.000 -0.074 0.000 1.184 104 A HN 0.579 nan 8.150 nan 0.000 0.474 105 F N 0.763 120.738 119.950 0.042 0.000 2.588 105 F HA 0.577 5.104 4.527 -0.000 0.000 0.310 105 F C -0.815 175.022 175.800 0.062 0.000 1.082 105 F CA -0.549 57.489 58.000 0.063 0.000 0.929 105 F CB 1.829 40.828 39.000 -0.001 0.000 1.254 105 F HN 0.621 nan 8.300 nan 0.000 0.455 106 W N 2.357 123.591 121.300 -0.110 0.000 2.316 106 W HA 0.644 5.304 4.660 -0.000 0.000 0.321 106 W C 0.008 176.387 176.519 -0.233 0.000 1.203 106 W CA -1.098 55.876 57.345 -0.617 0.000 1.214 106 W CB 0.508 29.447 29.460 -0.870 0.000 1.169 106 W HN 0.518 nan 8.180 nan 0.000 0.561 107 A N 5.099 127.952 122.820 0.055 0.000 2.407 107 A HA 0.467 4.787 4.320 -0.000 0.000 0.248 107 A C -2.163 175.575 177.584 0.255 0.000 1.082 107 A CA -1.274 50.858 52.037 0.160 0.000 0.785 107 A CB -0.525 18.588 19.000 0.188 0.000 1.020 107 A HN 0.423 nan 8.150 nan 0.000 0.489 108 P HA -0.110 nan 4.420 nan 0.000 0.261 108 P C 0.873 178.306 177.300 0.223 0.000 1.165 108 P CA 0.419 63.622 63.100 0.172 0.000 0.759 108 P CB 0.387 32.125 31.700 0.063 0.000 0.772 109 R N 3.306 123.929 120.500 0.206 0.000 2.154 109 R HA -0.237 4.102 4.340 -0.000 0.000 0.248 109 R C 0.856 177.135 176.300 -0.036 0.000 1.155 109 R CA 1.808 57.887 56.100 -0.034 0.000 0.979 109 R CB -0.726 29.401 30.300 -0.287 0.000 0.869 109 R HN 0.364 nan 8.270 nan 0.000 0.452 110 E N 0.762 120.959 120.200 -0.005 0.000 2.358 110 E HA -0.073 4.277 4.350 -0.000 0.000 0.195 110 E C 1.228 177.846 176.600 0.029 0.000 1.010 110 E CA 1.002 57.400 56.400 -0.004 0.000 0.856 110 E CB 0.011 29.706 29.700 -0.008 0.000 0.795 110 E HN 0.392 nan 8.360 nan 0.000 0.504 111 D N 0.365 120.791 120.400 0.043 0.000 2.084 111 D HA -0.073 4.567 4.640 -0.000 0.000 0.199 111 D C 2.002 178.185 176.300 -0.195 0.000 0.981 111 D CA 0.883 54.912 54.000 0.048 0.000 0.841 111 D CB -0.183 40.668 40.800 0.085 0.000 0.997 111 D HN 0.157 nan 8.370 nan 0.000 0.454 112 L N 0.988 122.025 121.223 -0.310 0.000 2.046 112 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 112 L C 2.057 178.831 176.870 -0.159 0.000 1.077 112 L CA 0.981 55.512 54.840 -0.515 0.000 0.747 112 L CB -0.488 41.423 42.059 -0.246 0.000 0.896 112 L HN -0.086 nan 8.230 nan 0.000 0.432 113 D N 0.326 120.694 120.400 -0.054 0.000 2.158 113 D HA -0.208 4.432 4.640 -0.000 0.000 0.197 113 D C 2.082 178.435 176.300 0.089 0.000 0.995 113 D CA 1.170 55.177 54.000 0.012 0.000 0.846 113 D CB -0.056 40.726 40.800 -0.029 0.000 0.941 113 D HN 0.375 nan 8.370 nan 0.000 0.456 114 E N -0.825 119.448 120.200 0.121 0.000 2.338 114 E HA -0.141 4.209 4.350 -0.000 0.000 0.197 114 E C 1.709 178.584 176.600 0.458 0.000 1.007 114 E CA 0.247 56.777 56.400 0.216 0.000 0.849 114 E CB 0.068 29.921 29.700 0.254 0.000 0.774 114 E HN 0.356 nan 8.360 nan 0.000 0.506 115 W N 1.206 122.662 121.300 0.260 0.000 2.380 115 W HA -0.134 4.526 4.660 -0.000 0.000 0.317 115 W C 2.219 178.879 176.519 0.235 0.000 1.196 115 W CA 0.788 58.309 57.345 0.293 0.000 1.307 115 W CB -1.111 28.481 29.460 0.219 0.000 1.157 115 W HN 0.149 nan 8.180 nan 0.000 0.483 116 E N -0.113 120.353 120.200 0.445 0.000 2.085 116 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 116 E C 2.101 178.802 176.600 0.168 0.000 0.994 116 E CA 1.866 58.434 56.400 0.280 0.000 0.801 116 E CB -0.195 29.640 29.700 0.224 0.000 0.743 116 E HN 0.096 nan 8.360 nan 0.000 0.453 117 A N 0.614 123.510 122.820 0.127 0.000 1.984 117 A HA -0.022 4.298 4.320 -0.000 0.000 0.214 117 A C 2.021 179.579 177.584 -0.043 0.000 1.173 117 A CA 1.025 53.084 52.037 0.036 0.000 0.673 117 A CB -0.054 18.957 19.000 0.018 0.000 0.830 117 A HN 0.140 nan 8.150 nan 0.000 0.453 118 K N -2.157 118.169 120.400 -0.123 0.000 2.354 118 K HA 0.151 4.471 4.320 -0.000 0.000 0.194 118 K C -0.260 176.008 176.600 -0.553 0.000 1.038 118 K CA 0.235 56.278 56.287 -0.407 0.000 1.052 118 K CB 0.254 32.383 32.500 -0.618 0.000 0.861 118 K HN 0.527 nan 8.250 nan 0.000 0.535 119 Y N -0.754 119.579 120.300 0.055 0.000 2.721 119 Y HA 0.260 4.810 4.550 -0.000 0.000 0.251 119 Y C 0.818 176.714 175.900 -0.005 0.000 1.136 119 Y CA -0.206 57.895 58.100 0.000 0.000 1.142 119 Y CB 1.563 39.998 38.460 -0.042 0.000 1.212 119 Y HN 0.184 nan 8.280 nan 0.000 0.565 120 G N 1.097 109.968 108.800 0.118 0.000 2.180 120 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.263 120 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.263 120 G C 0.492 175.460 174.900 0.114 0.000 0.989 120 G CA 0.337 45.491 45.100 0.091 0.000 0.692 120 G HN 0.628 nan 8.290 nan 0.000 0.526 121 A N 1.055 123.977 122.820 0.170 0.000 3.056 121 A HA 0.618 4.938 4.320 -0.000 0.000 0.274 121 A C 1.042 178.831 177.584 0.341 0.000 1.661 121 A CA 0.802 52.966 52.037 0.211 0.000 1.363 121 A CB -0.290 18.797 19.000 0.144 0.000 1.139 121 A HN 0.758 nan 8.150 nan 0.000 0.598 122 T N 0.699 115.394 114.554 0.235 0.000 2.867 122 T HA 0.289 4.639 4.350 -0.000 0.000 0.290 122 T C 1.604 176.435 174.700 0.219 0.000 1.025 122 T CA 1.653 63.865 62.100 0.188 0.000 1.146 122 T CB 0.289 69.227 68.868 0.117 0.000 1.024 122 T HN 1.778 nan 8.240 nan 0.000 0.519 123 G N 2.326 111.192 108.800 0.110 0.000 2.184 123 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.264 123 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.264 123 G C -0.071 174.746 174.900 -0.139 0.000 0.975 123 G CA -0.148 44.932 45.100 -0.033 0.000 0.642 123 G HN 0.760 nan 8.290 nan 0.000 0.536 124 W N 2.081 123.451 121.300 0.116 0.000 2.296 124 W HA 0.621 5.280 4.660 -0.000 0.000 0.333 124 W C 0.392 176.994 176.519 0.138 0.000 0.931 124 W CA -0.272 57.180 57.345 0.178 0.000 1.538 124 W CB 0.356 30.018 29.460 0.337 0.000 1.417 124 W HN 0.541 nan 8.180 nan 0.000 0.380 125 N N -0.262 118.529 118.700 0.152 0.000 2.934 125 N HA 0.576 5.316 4.740 -0.000 0.000 0.253 125 N C 0.317 175.832 175.510 0.009 0.000 1.466 125 N CA -0.527 52.562 53.050 0.066 0.000 0.858 125 N CB 0.617 39.125 38.487 0.035 0.000 1.459 125 N HN 0.006 nan 8.380 nan 0.000 0.532 126 A N -0.491 122.303 122.820 -0.043 0.000 2.067 126 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 126 A C 1.430 178.975 177.584 -0.064 0.000 1.158 126 A CA 1.067 53.062 52.037 -0.069 0.000 0.661 126 A CB -0.792 17.981 19.000 -0.380 0.000 0.801 126 A HN 0.742 nan 8.150 nan 0.000 0.452 127 E N -0.018 120.132 120.200 -0.083 0.000 2.072 127 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 127 E C 2.342 178.942 176.600 -0.000 0.000 0.985 127 E CA 0.954 57.330 56.400 -0.039 0.000 0.801 127 E CB -0.270 29.398 29.700 -0.054 0.000 0.750 127 E HN 0.633 nan 8.360 nan 0.000 0.452 128 A N 1.681 124.470 122.820 -0.051 0.000 1.877 128 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 128 A C 2.399 179.916 177.584 -0.111 0.000 1.186 128 A CA 1.746 53.705 52.037 -0.131 0.000 0.620 128 A CB -0.531 18.304 19.000 -0.275 0.000 0.822 128 A HN 0.278 nan 8.150 nan 0.000 0.443 129 A N -1.938 120.860 122.820 -0.036 0.000 1.968 129 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 129 A C 2.106 179.631 177.584 -0.098 0.000 1.169 129 A CA 0.849 52.787 52.037 -0.165 0.000 0.638 129 A CB -0.778 18.152 19.000 -0.116 0.000 0.812 129 A HN 0.776 nan 8.150 nan 0.000 0.446 130 W N 0.456 121.720 121.300 -0.060 0.000 2.358 130 W HA -0.119 4.541 4.660 -0.000 0.000 0.303 130 W C -0.915 175.616 176.519 0.019 0.000 1.208 130 W CA 1.834 59.246 57.345 0.112 0.000 1.274 130 W CB -1.030 28.569 29.460 0.232 0.000 1.138 130 W HN 0.301 nan 8.180 nan 0.000 0.515 131 P HA -0.156 nan 4.420 nan 0.000 0.217 131 P C 1.617 178.892 177.300 -0.042 0.000 1.150 131 P CA 1.681 64.819 63.100 0.063 0.000 0.832 131 P CB -0.326 31.396 31.700 0.037 0.000 0.787 132 L N -2.718 118.421 121.223 -0.141 0.000 2.072 132 L HA -0.145 4.195 4.340 -0.000 0.000 0.205 132 L C 2.534 179.253 176.870 -0.252 0.000 1.079 132 L CA 1.426 56.145 54.840 -0.201 0.000 0.752 132 L CB -1.333 40.564 42.059 -0.271 0.000 0.906 132 L HN -0.046 nan 8.230 nan 0.000 0.436 133 Y N 0.650 120.688 120.300 -0.437 0.000 2.193 133 Y HA -0.347 4.203 4.550 -0.000 0.000 0.285 133 Y C 2.809 178.395 175.900 -0.524 0.000 1.166 133 Y CA 1.567 59.177 58.100 -0.818 0.000 1.181 133 Y CB -0.129 37.153 38.460 -1.963 0.000 0.976 133 Y HN 0.168 nan 8.280 nan 0.000 0.520 134 K N 0.973 121.294 120.400 -0.132 0.000 2.116 134 K HA -0.169 4.151 4.320 -0.000 0.000 0.203 134 K C 2.257 178.880 176.600 0.039 0.000 1.052 134 K CA 1.093 57.418 56.287 0.063 0.000 0.952 134 K CB -0.129 32.447 32.500 0.127 0.000 0.729 134 K HN 0.141 nan 8.250 nan 0.000 0.446 135 R N 1.004 121.505 120.500 0.002 0.000 2.148 135 R HA -0.074 4.266 4.340 -0.000 0.000 0.223 135 R C 2.062 178.367 176.300 0.009 0.000 1.088 135 R CA 1.315 57.419 56.100 0.006 0.000 0.985 135 R CB -0.214 30.084 30.300 -0.002 0.000 0.880 135 R HN 0.346 nan 8.270 nan 0.000 0.451 136 L N -0.430 120.799 121.223 0.010 0.000 2.477 136 L HA 0.227 4.567 4.340 -0.000 0.000 0.220 136 L C 0.117 176.987 176.870 -0.000 0.000 1.106 136 L CA 0.275 55.132 54.840 0.028 0.000 0.851 136 L CB -0.207 41.911 42.059 0.099 0.000 0.994 136 L HN 0.088 nan 8.230 nan 0.000 0.462 137 E N -0.436 119.777 120.200 0.023 0.000 2.204 137 E HA 0.444 4.794 4.350 -0.000 0.000 0.276 137 E C -0.871 175.723 176.600 -0.010 0.000 0.974 137 E CA -0.760 55.659 56.400 0.030 0.000 0.815 137 E CB 1.103 30.864 29.700 0.100 0.000 1.119 137 E HN 0.003 nan 8.360 nan 0.000 0.393 138 T N 3.042 117.554 114.554 -0.070 0.000 2.910 138 T HA 0.189 4.539 4.350 -0.000 0.000 0.323 138 T C -0.543 174.023 174.700 -0.224 0.000 1.091 138 T CA -0.655 61.328 62.100 -0.196 0.000 0.960 138 T CB -0.103 68.503 68.868 -0.437 0.000 1.024 138 T HN 0.371 nan 8.240 nan 0.000 0.509 139 N N 2.177 120.765 118.700 -0.187 0.000 2.479 139 N HA 0.085 4.825 4.740 -0.000 0.000 0.285 139 N C 1.044 176.379 175.510 -0.292 0.000 1.075 139 N CA -0.265 52.618 53.050 -0.277 0.000 0.967 139 N CB 1.417 39.606 38.487 -0.497 0.000 1.137 139 N HN 0.607 nan 8.380 nan 0.000 0.472 140 E N 1.515 121.561 120.200 -0.256 0.000 2.401 140 E HA -0.146 4.204 4.350 -0.000 0.000 0.199 140 E C -0.440 176.047 176.600 -0.188 0.000 1.023 140 E CA 0.924 57.209 56.400 -0.191 0.000 0.859 140 E CB 0.394 30.009 29.700 -0.141 0.000 0.780 140 E HN 0.477 nan 8.360 nan 0.000 0.523 141 D N -0.301 119.930 120.400 -0.282 0.000 2.433 141 D HA 0.156 4.796 4.640 -0.000 0.000 0.211 141 D C -0.110 176.109 176.300 -0.135 0.000 1.114 141 D CA 0.072 53.950 54.000 -0.204 0.000 0.837 141 D CB 0.503 41.182 40.800 -0.201 0.000 0.984 141 D HN 0.136 nan 8.370 nan 0.000 0.505 142 A N 0.494 123.207 122.820 -0.177 0.000 2.555 142 A HA 0.488 4.808 4.320 -0.000 0.000 0.233 142 A C 1.021 178.596 177.584 -0.017 0.000 1.060 142 A CA 1.049 53.053 52.037 -0.054 0.000 0.759 142 A CB 0.120 19.080 19.000 -0.066 0.000 0.995 142 A HN 0.289 nan 8.150 nan 0.000 0.506 143 G N 0.984 109.794 108.800 0.017 0.000 2.341 143 G HA2 0.363 4.323 3.960 -0.000 0.000 0.293 143 G HA3 0.363 4.323 3.960 -0.000 0.000 0.293 143 G C -2.612 172.307 174.900 0.032 0.000 1.298 143 G CA 0.018 45.128 45.100 0.016 0.000 0.868 143 G HN 0.314 nan 8.290 nan 0.000 0.540 144 P HA 0.034 nan 4.420 nan 0.000 0.218 144 P C 1.187 178.509 177.300 0.037 0.000 1.149 144 P CA 1.737 64.855 63.100 0.029 0.000 0.817 144 P CB 0.105 31.816 31.700 0.019 0.000 0.785 145 D N -0.883 119.537 120.400 0.034 0.000 2.340 145 D HA 0.098 4.738 4.640 -0.000 0.000 0.220 145 D C 0.294 176.632 176.300 0.063 0.000 1.039 145 D CA -0.054 53.969 54.000 0.038 0.000 0.866 145 D CB -0.307 40.507 40.800 0.023 0.000 0.913 145 D HN 0.049 nan 8.370 nan 0.000 0.523 146 A N 0.966 123.840 122.820 0.090 0.000 3.422 146 A HA 0.425 4.745 4.320 -0.000 0.000 0.271 146 A C -2.371 175.295 177.584 0.138 0.000 1.104 146 A CA -0.824 51.307 52.037 0.157 0.000 0.899 146 A CB 1.052 20.170 19.000 0.198 0.000 1.309 146 A HN -0.057 nan 8.150 nan 0.000 0.580 147 P HA -0.069 nan 4.420 nan 0.000 0.245 147 P C 1.064 178.451 177.300 0.145 0.000 1.212 147 P CA 0.906 64.076 63.100 0.117 0.000 0.774 147 P CB -0.233 31.532 31.700 0.108 0.000 0.999 148 H N -2.833 116.258 119.070 0.036 0.000 2.512 148 H HA 0.034 4.590 4.556 -0.000 0.000 0.279 148 H C 0.304 175.716 175.328 0.140 0.000 0.999 148 H CA 0.425 56.531 56.048 0.096 0.000 1.283 148 H CB -1.107 28.676 29.762 0.036 0.000 1.421 148 H HN 0.131 nan 8.280 nan 0.000 0.554 149 H N 1.268 119.983 119.070 -0.591 0.000 2.652 149 H HA 0.333 4.889 4.556 -0.000 0.000 0.349 149 H C 0.475 175.759 175.328 -0.074 0.000 1.099 149 H CA 0.484 56.304 56.048 -0.379 0.000 1.417 149 H CB 1.074 30.573 29.762 -0.438 0.000 1.457 149 H HN 0.481 nan 8.280 nan 0.000 0.568 150 G N 1.107 110.015 108.800 0.180 0.000 2.377 150 G HA2 0.153 4.113 3.960 -0.000 0.000 0.299 150 G HA3 0.153 4.113 3.960 -0.000 0.000 0.299 150 G C 0.268 175.176 174.900 0.014 0.000 1.150 150 G CA -0.568 44.582 45.100 0.085 0.000 0.847 150 G HN 0.736 nan 8.290 nan 0.000 0.501 151 D N -0.039 120.354 120.400 -0.012 0.000 2.538 151 D HA 0.132 4.772 4.640 -0.000 0.000 0.231 151 D C 0.813 177.077 176.300 -0.060 0.000 1.229 151 D CA -0.252 53.712 54.000 -0.059 0.000 0.828 151 D CB 0.773 41.538 40.800 -0.058 0.000 1.035 151 D HN 0.183 nan 8.370 nan 0.000 0.495 152 S N -0.960 114.718 115.700 -0.036 0.000 2.679 152 S HA 0.325 4.795 4.470 -0.000 0.000 0.258 152 S C 1.042 175.630 174.600 -0.020 0.000 1.068 152 S CA -0.123 58.062 58.200 -0.025 0.000 1.115 152 S CB 1.158 64.352 63.200 -0.010 0.000 1.078 152 S HN 0.479 nan 8.310 nan 0.000 0.603 153 G N 2.862 111.649 108.800 -0.023 0.000 2.614 153 G HA2 0.267 4.227 3.960 -0.000 0.000 0.239 153 G HA3 0.267 4.227 3.960 -0.000 0.000 0.239 153 G C -1.572 173.308 174.900 -0.034 0.000 1.240 153 G CA -0.760 44.320 45.100 -0.033 0.000 0.842 153 G HN 0.085 nan 8.290 nan 0.000 0.584 154 P HA -0.048 nan 4.420 nan 0.000 0.219 154 P C 0.618 177.819 177.300 -0.165 0.000 1.150 154 P CA 0.472 63.426 63.100 -0.242 0.000 0.814 154 P CB 0.036 31.384 31.700 -0.587 0.000 0.787 155 V N 1.809 121.645 119.914 -0.131 0.000 2.408 155 V HA 0.103 4.223 4.120 -0.000 0.000 0.267 155 V C 0.201 176.379 176.094 0.141 0.000 1.047 155 V CA -0.335 61.950 62.300 -0.025 0.000 0.937 155 V CB -0.521 31.290 31.823 -0.021 0.000 0.999 155 V HN 0.079 nan 8.190 nan 0.000 0.472 156 H N 5.143 124.164 119.070 -0.081 0.000 2.652 156 H HA 0.547 5.103 4.556 -0.000 0.000 0.298 156 H C -0.282 175.015 175.328 -0.051 0.000 1.076 156 H CA -0.554 55.455 56.048 -0.065 0.000 1.360 156 H CB 0.855 30.578 29.762 -0.065 0.000 1.421 156 H HN 0.497 nan 8.280 nan 0.000 0.464 157 L N 5.392 126.614 121.223 -0.003 0.000 2.313 157 L HA 0.492 4.832 4.340 -0.000 0.000 0.283 157 L C -0.004 176.828 176.870 -0.064 0.000 1.013 157 L CA -0.743 54.084 54.840 -0.023 0.000 0.816 157 L CB 0.985 43.032 42.059 -0.019 0.000 1.236 157 L HN 0.577 nan 8.230 nan 0.000 0.419 158 M N 1.226 120.804 119.600 -0.037 0.000 2.591 158 M HA 0.570 5.050 4.480 -0.000 0.000 0.306 158 M C -1.133 175.151 176.300 -0.027 0.000 1.190 158 M CA -0.744 54.529 55.300 -0.046 0.000 0.889 158 M CB 1.937 34.520 32.600 -0.029 0.000 1.728 158 M HN 0.197 nan 8.290 nan 0.000 0.458 159 N N 1.534 120.211 118.700 -0.039 0.000 2.422 159 N HA 0.322 5.062 4.740 -0.000 0.000 0.264 159 N C -0.830 174.662 175.510 -0.031 0.000 1.063 159 N CA -0.443 52.596 53.050 -0.018 0.000 0.959 159 N CB 1.323 39.787 38.487 -0.039 0.000 1.087 159 N HN 0.606 nan 8.380 nan 0.000 0.483 160 V N 4.702 124.623 119.914 0.012 0.000 2.555 160 V HA -0.026 4.094 4.120 -0.000 0.000 0.299 160 V C -1.771 174.201 176.094 -0.205 0.000 1.012 160 V CA -0.719 61.562 62.300 -0.032 0.000 1.180 160 V CB -0.610 31.280 31.823 0.113 0.000 0.887 160 V HN 0.556 nan 8.190 nan 0.000 0.476 161 P HA 0.136 nan 4.420 nan 0.000 0.263 161 P C -2.258 174.700 177.300 -0.570 0.000 1.195 161 P CA -1.305 61.612 63.100 -0.304 0.000 0.762 161 P CB -0.069 31.508 31.700 -0.205 0.000 0.799 162 P HA 0.003 nan 4.420 nan 0.000 0.238 162 P C 0.460 177.434 177.300 -0.543 0.000 1.729 162 P CA 0.280 62.664 63.100 -1.194 0.000 1.055 162 P CB -0.162 31.100 31.700 -0.730 0.000 1.980 163 K N 0.273 120.428 120.400 -0.408 0.000 2.335 163 K HA 0.025 4.345 4.320 -0.000 0.000 0.195 163 K C 0.296 176.833 176.600 -0.104 0.000 1.058 163 K CA -0.066 56.104 56.287 -0.193 0.000 0.988 163 K CB -0.043 32.364 32.500 -0.154 0.000 0.880 163 K HN -0.022 nan 8.250 nan 0.000 0.513 164 D N 4.037 124.400 120.400 -0.062 0.000 2.349 164 D HA 0.036 4.676 4.640 -0.000 0.000 0.266 164 D C -1.403 174.852 176.300 -0.074 0.000 1.293 164 D CA -2.160 51.832 54.000 -0.015 0.000 0.926 164 D CB 1.473 42.325 40.800 0.086 0.000 1.090 164 D HN 0.079 nan 8.370 nan 0.000 0.502 165 P HA -0.120 nan 4.420 nan 0.000 0.220 165 P C 1.061 177.994 177.300 -0.613 0.000 1.148 165 P CA 0.832 63.801 63.100 -0.219 0.000 0.803 165 P CB 0.182 31.869 31.700 -0.021 0.000 0.782 166 T N -0.703 113.270 114.554 -0.968 0.000 2.867 166 T HA -0.035 4.315 4.350 -0.000 0.000 0.268 166 T C 2.090 176.216 174.700 -0.957 0.000 1.057 166 T CA 1.621 62.878 62.100 -1.405 0.000 1.136 166 T CB -0.916 67.270 68.868 -1.136 0.000 0.874 166 T HN 0.196 nan 8.240 nan 0.000 0.466 167 G N 1.388 109.838 108.800 -0.584 0.000 2.434 167 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.214 167 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.214 167 G C 1.681 176.317 174.900 -0.440 0.000 1.202 167 G CA 0.755 45.507 45.100 -0.579 0.000 0.788 167 G HN 0.388 nan 8.290 nan 0.000 0.539 168 V N 1.956 121.795 119.914 -0.126 0.000 2.277 168 V HA -0.289 3.831 4.120 -0.000 0.000 0.253 168 V C 3.358 179.325 176.094 -0.211 0.000 1.067 168 V CA 2.408 64.660 62.300 -0.080 0.000 1.047 168 V CB -1.062 30.745 31.823 -0.026 0.000 0.649 168 V HN 0.497 nan 8.190 nan 0.000 0.447 169 A N -0.836 121.796 122.820 -0.315 0.000 1.972 169 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 169 A C 2.144 179.526 177.584 -0.336 0.000 1.169 169 A CA 2.036 53.898 52.037 -0.292 0.000 0.635 169 A CB -0.454 18.330 19.000 -0.359 0.000 0.810 169 A HN 0.484 nan 8.150 nan 0.000 0.446 170 L N -1.095 119.824 121.223 -0.507 0.000 2.072 170 L HA -0.018 4.322 4.340 -0.000 0.000 0.205 170 L C 2.114 178.769 176.870 -0.359 0.000 1.079 170 L CA 1.225 55.763 54.840 -0.504 0.000 0.752 170 L CB -0.403 41.178 42.059 -0.797 0.000 0.906 170 L HN 0.236 nan 8.230 nan 0.000 0.436 171 L N -0.118 120.883 121.223 -0.370 0.000 2.013 171 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 171 L C 2.221 178.986 176.870 -0.176 0.000 1.073 171 L CA 1.781 56.460 54.840 -0.269 0.000 0.753 171 L CB -1.243 40.660 42.059 -0.260 0.000 0.890 171 L HN 0.334 nan 8.230 nan 0.000 0.432 172 D N -0.929 119.377 120.400 -0.157 0.000 2.178 172 D HA -0.094 4.546 4.640 -0.000 0.000 0.202 172 D C 2.185 178.428 176.300 -0.095 0.000 0.974 172 D CA 1.304 55.242 54.000 -0.104 0.000 0.841 172 D CB -0.031 40.720 40.800 -0.081 0.000 0.953 172 D HN 0.341 nan 8.370 nan 0.000 0.478 173 A N 0.106 122.853 122.820 -0.122 0.000 2.015 173 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 173 A C 2.446 179.979 177.584 -0.086 0.000 1.163 173 A CA 0.885 52.862 52.037 -0.099 0.000 0.646 173 A CB -0.746 18.181 19.000 -0.121 0.000 0.806 173 A HN 0.317 nan 8.150 nan 0.000 0.448 174 C N -0.704 118.533 119.300 -0.106 0.000 2.446 174 C HA -0.058 4.402 4.460 -0.000 0.000 0.277 174 C C 2.571 177.530 174.990 -0.052 0.000 1.275 174 C CA 1.124 60.093 59.018 -0.081 0.000 1.727 174 C CB -1.138 26.540 27.740 -0.103 0.000 2.010 174 C HN 0.682 nan 8.230 nan 0.000 0.486 175 E N 0.381 120.547 120.200 -0.057 0.000 2.204 175 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 175 E C 2.244 178.827 176.600 -0.028 0.000 0.989 175 E CA 0.833 57.210 56.400 -0.039 0.000 0.824 175 E CB -0.159 29.515 29.700 -0.043 0.000 0.756 175 E HN 0.722 nan 8.360 nan 0.000 0.477 176 Q N -0.237 119.544 119.800 -0.031 0.000 2.297 176 Q HA -0.020 4.320 4.340 -0.000 0.000 0.204 176 Q C 1.572 177.564 176.000 -0.013 0.000 0.962 176 Q CA 1.055 56.845 55.803 -0.021 0.000 0.879 176 Q CB 0.163 28.888 28.738 -0.022 0.000 0.947 176 Q HN 0.135 nan 8.270 nan 0.000 0.462 177 A N 0.369 123.180 122.820 -0.015 0.000 2.423 177 A HA 0.460 4.779 4.320 -0.000 0.000 0.246 177 A C 1.180 178.765 177.584 0.001 0.000 1.278 177 A CA 0.395 52.429 52.037 -0.005 0.000 0.903 177 A CB 0.107 19.104 19.000 -0.004 0.000 0.997 177 A HN 0.370 nan 8.150 nan 0.000 0.510 178 G N -0.474 108.324 108.800 -0.003 0.000 2.182 178 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.248 178 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.248 178 G C -0.152 174.753 174.900 0.008 0.000 1.042 178 G CA 0.336 45.438 45.100 0.003 0.000 0.775 178 G HN 0.458 nan 8.290 nan 0.000 0.501 179 I N 2.233 122.804 120.570 0.001 0.000 2.382 179 I HA 0.373 4.542 4.170 -0.000 0.000 0.285 179 I C -1.809 174.303 176.117 -0.009 0.000 1.007 179 I CA -2.544 58.762 61.300 0.009 0.000 1.142 179 I CB 2.181 40.186 38.000 0.009 0.000 1.289 179 I HN -0.085 nan 8.210 nan 0.000 0.453 180 P HA 0.219 nan 4.420 nan 0.000 0.276 180 P C -0.752 176.525 177.300 -0.038 0.000 1.261 180 P CA -0.686 62.401 63.100 -0.022 0.000 0.800 180 P CB 0.651 32.342 31.700 -0.014 0.000 1.066 181 R N 0.335 120.797 120.500 -0.064 0.000 2.370 181 R HA 0.472 4.812 4.340 -0.000 0.000 0.309 181 R C 0.159 176.395 176.300 -0.108 0.000 1.059 181 R CA 0.045 56.084 56.100 -0.102 0.000 0.981 181 R CB 0.028 30.269 30.300 -0.100 0.000 0.972 181 R HN 0.528 nan 8.270 nan 0.000 0.437 182 A N 3.358 126.085 122.820 -0.156 0.000 2.354 182 A HA 0.434 4.754 4.320 -0.000 0.000 0.321 182 A C -0.715 176.662 177.584 -0.345 0.000 1.125 182 A CA -0.905 51.039 52.037 -0.155 0.000 0.799 182 A CB 1.069 20.052 19.000 -0.029 0.000 1.293 182 A HN 0.741 nan 8.150 nan 0.000 0.452 183 K N 0.865 121.131 120.400 -0.224 0.000 2.098 183 K HA 0.645 4.965 4.320 -0.000 0.000 0.261 183 K C -1.569 174.983 176.600 -0.080 0.000 0.987 183 K CA -0.247 55.891 56.287 -0.249 0.000 0.916 183 K CB 0.887 33.321 32.500 -0.110 0.000 1.039 183 K HN 0.490 nan 8.250 nan 0.000 0.455 184 F N 1.138 121.154 119.950 0.111 0.000 2.458 184 F HA 0.246 4.773 4.527 -0.000 0.000 0.330 184 F C 0.131 175.981 175.800 0.084 0.000 1.082 184 F CA -1.093 57.017 58.000 0.183 0.000 0.995 184 F CB 1.456 40.626 39.000 0.283 0.000 1.170 184 F HN 0.732 nan 8.300 nan 0.000 0.478 185 N N 0.693 119.561 118.700 0.280 0.000 2.746 185 N HA -0.161 4.579 4.740 -0.000 0.000 0.250 185 N C 0.520 175.900 175.510 -0.216 0.000 1.055 185 N CA 1.097 54.091 53.050 -0.094 0.000 0.699 185 N CB -1.484 36.926 38.487 -0.128 0.000 0.919 185 N HN 0.864 nan 8.380 nan 0.000 0.548 186 T N -5.191 109.262 114.554 -0.169 0.000 2.990 186 T HA 0.452 4.802 4.350 -0.000 0.000 0.250 186 T C 1.396 175.745 174.700 -0.586 0.000 1.041 186 T CA 1.155 63.082 62.100 -0.287 0.000 1.010 186 T CB 1.086 69.885 68.868 -0.113 0.000 1.003 186 T HN 0.786 nan 8.240 nan 0.000 0.499 187 G N 0.497 109.112 108.800 -0.307 0.000 2.421 187 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.188 187 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.188 187 G C 0.133 175.090 174.900 0.095 0.000 1.001 187 G CA -0.080 45.019 45.100 -0.002 0.000 0.693 187 G HN 0.635 nan 8.290 nan 0.000 0.479 188 T N 2.779 117.326 114.554 -0.011 0.000 2.772 188 T HA 0.552 4.902 4.350 -0.000 0.000 0.288 188 T C 0.281 174.988 174.700 0.013 0.000 0.994 188 T CA 0.084 62.182 62.100 -0.003 0.000 0.951 188 T CB 1.567 70.416 68.868 -0.031 0.000 0.933 188 T HN 0.222 nan 8.240 nan 0.000 0.447 189 T N 3.117 117.678 114.554 0.011 0.000 2.908 189 T HA 0.112 4.462 4.350 -0.000 0.000 0.301 189 T C 0.553 175.222 174.700 -0.052 0.000 1.019 189 T CA -0.179 61.904 62.100 -0.029 0.000 1.152 189 T CB 0.235 69.081 68.868 -0.037 0.000 0.966 189 T HN 0.319 nan 8.240 nan 0.000 0.540 190 V N 5.621 125.471 119.914 -0.107 0.000 2.353 190 V HA 0.080 4.200 4.120 -0.000 0.000 0.264 190 V C 1.199 177.199 176.094 -0.156 0.000 1.049 190 V CA -0.145 62.114 62.300 -0.069 0.000 0.896 190 V CB 0.947 32.817 31.823 0.079 0.000 1.025 190 V HN 0.862 nan 8.190 nan 0.000 0.475 191 V N 3.327 123.217 119.914 -0.040 0.000 2.878 191 V HA 0.103 4.223 4.120 -0.000 0.000 0.250 191 V C 1.035 177.179 176.094 0.083 0.000 1.075 191 V CA 0.894 63.191 62.300 -0.004 0.000 1.096 191 V CB -0.307 31.518 31.823 0.003 0.000 0.724 191 V HN 0.953 nan 8.190 nan 0.000 0.467 192 N N 0.360 119.122 118.700 0.103 0.000 2.685 192 N HA 0.457 5.197 4.740 -0.000 0.000 0.252 192 N C -0.665 174.926 175.510 0.135 0.000 1.261 192 N CA 0.447 53.572 53.050 0.126 0.000 0.768 192 N CB 1.223 39.755 38.487 0.075 0.000 1.304 192 N HN 0.377 nan 8.380 nan 0.000 0.536 193 G N 0.645 109.577 108.800 0.220 0.000 2.616 193 G HA2 0.650 4.610 3.960 -0.000 0.000 0.294 193 G HA3 0.650 4.610 3.960 -0.000 0.000 0.294 193 G C -1.999 173.060 174.900 0.266 0.000 1.489 193 G CA -0.411 44.803 45.100 0.190 0.000 0.836 193 G HN 0.472 nan 8.290 nan 0.000 0.527 194 A N 0.569 123.442 122.820 0.088 0.000 2.454 194 A HA 0.956 5.276 4.320 -0.000 0.000 0.302 194 A C -0.417 177.076 177.584 -0.152 0.000 1.079 194 A CA -0.682 51.366 52.037 0.019 0.000 0.731 194 A CB 1.957 20.902 19.000 -0.091 0.000 1.299 194 A HN 1.178 nan 8.150 nan 0.000 0.413 195 N N -0.788 117.786 118.700 -0.209 0.000 3.533 195 N HA 0.381 5.121 4.740 -0.000 0.000 0.229 195 N C -1.466 173.851 175.510 -0.321 0.000 1.418 195 N CA -0.820 52.018 53.050 -0.352 0.000 0.880 195 N CB 0.485 38.615 38.487 -0.596 0.000 1.415 195 N HN 0.451 nan 8.380 nan 0.000 0.491 196 F N 1.787 121.630 119.950 -0.178 0.000 2.607 196 F HA 0.188 4.715 4.527 -0.000 0.000 0.374 196 F C 0.583 176.401 175.800 0.030 0.000 1.104 196 F CA 0.433 58.368 58.000 -0.109 0.000 1.296 196 F CB 0.147 39.109 39.000 -0.063 0.000 1.085 196 F HN 0.231 nan 8.300 nan 0.000 0.584 197 F N 1.466 121.635 119.950 0.366 0.000 2.485 197 F HA 0.105 4.632 4.527 -0.000 0.000 0.327 197 F C 0.890 176.779 175.800 0.148 0.000 1.203 197 F CA -0.400 57.756 58.000 0.259 0.000 1.295 197 F CB 0.370 39.417 39.000 0.078 0.000 1.191 197 F HN 0.355 nan 8.300 nan 0.000 0.588 198 Q N 2.001 121.949 119.800 0.247 0.000 2.259 198 Q HA 0.526 4.866 4.340 -0.000 0.000 0.246 198 Q C -0.737 175.266 176.000 0.005 0.000 0.920 198 Q CA -0.587 55.260 55.803 0.074 0.000 0.895 198 Q CB 2.073 30.812 28.738 0.002 0.000 1.220 198 Q HN 0.506 nan 8.270 nan 0.000 0.439 199 I N -0.239 120.337 120.570 0.011 0.000 2.582 199 I HA 0.363 4.532 4.170 -0.000 0.000 0.292 199 I C -0.374 175.737 176.117 -0.009 0.000 1.066 199 I CA -1.242 60.051 61.300 -0.010 0.000 1.053 199 I CB 1.854 39.867 38.000 0.022 0.000 1.241 199 I HN 0.449 nan 8.210 nan 0.000 0.421 200 N N 5.987 124.677 118.700 -0.017 0.000 2.739 200 N HA 0.187 4.926 4.740 -0.000 0.000 0.266 200 N C -0.735 174.778 175.510 0.005 0.000 1.168 200 N CA -0.243 52.810 53.050 0.005 0.000 1.055 200 N CB 0.608 39.100 38.487 0.008 0.000 1.393 200 N HN 0.761 nan 8.380 nan 0.000 0.514 201 R N 1.376 121.887 120.500 0.018 0.000 2.686 201 R HA 0.348 4.687 4.340 -0.000 0.000 0.283 201 R C -0.039 176.282 176.300 0.035 0.000 0.978 201 R CA -0.756 55.353 56.100 0.015 0.000 0.897 201 R CB 2.140 32.448 30.300 0.013 0.000 1.192 201 R HN 0.394 nan 8.270 nan 0.000 0.457 202 R N 1.370 121.874 120.500 0.006 0.000 2.738 202 R HA 0.196 4.536 4.340 -0.000 0.000 0.275 202 R C 0.991 177.308 176.300 0.028 0.000 1.121 202 R CA 0.269 56.379 56.100 0.016 0.000 1.207 202 R CB 0.229 30.488 30.300 -0.069 0.000 1.141 202 R HN 0.736 nan 8.270 nan 0.000 0.571 203 A N 1.173 124.018 122.820 0.042 0.000 1.972 203 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 203 A C 1.475 179.062 177.584 0.005 0.000 1.169 203 A CA 1.853 53.902 52.037 0.021 0.000 0.635 203 A CB -0.535 18.480 19.000 0.025 0.000 0.810 203 A HN 0.843 nan 8.150 nan 0.000 0.446 204 D N -2.412 117.989 120.400 0.002 0.000 2.355 204 D HA 0.257 4.897 4.640 -0.000 0.000 0.218 204 D C 1.162 177.464 176.300 0.004 0.000 1.004 204 D CA 1.173 55.174 54.000 0.001 0.000 0.880 204 D CB -0.320 40.481 40.800 0.001 0.000 0.911 204 D HN 0.778 nan 8.370 nan 0.000 0.528 205 G N -0.972 107.830 108.800 0.005 0.000 2.205 205 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.180 205 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.180 205 G C 0.212 175.123 174.900 0.019 0.000 1.004 205 G CA 0.013 45.121 45.100 0.012 0.000 0.670 205 G HN 0.379 nan 8.290 nan 0.000 0.496 206 T N 2.792 117.350 114.554 0.007 0.000 2.794 206 T HA 0.487 4.837 4.350 -0.000 0.000 0.296 206 T C 0.910 175.604 174.700 -0.009 0.000 0.949 206 T CA -0.131 61.971 62.100 0.002 0.000 1.101 206 T CB 0.701 69.562 68.868 -0.011 0.000 0.905 206 T HN 0.718 nan 8.240 nan 0.000 0.516 207 R N 2.043 122.544 120.500 0.001 0.000 2.640 207 R HA 0.178 4.518 4.340 -0.000 0.000 0.270 207 R C -0.029 176.244 176.300 -0.044 0.000 1.024 207 R CA -0.209 55.887 56.100 -0.008 0.000 1.085 207 R CB 0.082 30.387 30.300 0.008 0.000 0.963 207 R HN 0.334 nan 8.270 nan 0.000 0.426 208 S N 2.058 117.732 115.700 -0.043 0.000 3.149 208 S HA 0.027 4.497 4.470 -0.000 0.000 0.228 208 S C 0.012 174.580 174.600 -0.055 0.000 1.393 208 S CA -0.262 57.894 58.200 -0.073 0.000 1.224 208 S CB -0.369 62.806 63.200 -0.043 0.000 1.112 208 S HN 0.740 nan 8.310 nan 0.000 0.502 209 S N 1.321 116.988 115.700 -0.055 0.000 2.563 209 S HA 0.013 4.483 4.470 -0.000 0.000 0.269 209 S C 1.625 176.219 174.600 -0.010 0.000 1.364 209 S CA -0.065 58.120 58.200 -0.024 0.000 1.010 209 S CB 0.466 63.648 63.200 -0.030 0.000 0.877 209 S HN 0.544 nan 8.310 nan 0.000 0.549 210 S N 1.560 117.302 115.700 0.070 0.000 2.368 210 S HA -0.179 4.291 4.470 -0.000 0.000 0.225 210 S C 2.031 176.709 174.600 0.129 0.000 1.030 210 S CA 1.096 59.421 58.200 0.209 0.000 0.999 210 S CB -1.412 61.883 63.200 0.158 0.000 0.844 210 S HN 0.950 nan 8.310 nan 0.000 0.459 211 S N 2.266 117.971 115.700 0.008 0.000 2.348 211 S HA -0.057 4.413 4.470 -0.000 0.000 0.221 211 S C 1.920 176.305 174.600 -0.359 0.000 1.033 211 S CA 1.121 59.286 58.200 -0.059 0.000 1.010 211 S CB -1.192 62.010 63.200 0.004 0.000 0.891 211 S HN 0.348 nan 8.310 nan 0.000 0.442 212 V N 2.145 121.717 119.914 -0.571 0.000 2.392 212 V HA -0.160 3.960 4.120 -0.000 0.000 0.249 212 V C 2.669 178.518 176.094 -0.408 0.000 1.059 212 V CA 2.163 63.985 62.300 -0.796 0.000 1.051 212 V CB -0.910 30.652 31.823 -0.435 0.000 0.658 212 V HN 0.568 nan 8.190 nan 0.000 0.455 213 S N -2.174 113.362 115.700 -0.274 0.000 2.421 213 S HA 0.021 4.491 4.470 -0.000 0.000 0.224 213 S C 1.717 176.108 174.600 -0.348 0.000 1.035 213 S CA 0.802 58.812 58.200 -0.316 0.000 0.953 213 S CB -0.156 62.831 63.200 -0.356 0.000 0.810 213 S HN 0.639 nan 8.310 nan 0.000 0.497 214 Y N 0.170 120.395 120.300 -0.124 0.000 2.524 214 Y HA 0.303 4.853 4.550 -0.000 0.000 0.270 214 Y C 1.799 177.613 175.900 -0.143 0.000 1.094 214 Y CA 0.092 58.126 58.100 -0.110 0.000 1.276 214 Y CB 0.316 38.725 38.460 -0.084 0.000 1.130 214 Y HN 0.173 nan 8.280 nan 0.000 0.536 215 I N -1.432 119.152 120.570 0.023 0.000 3.136 215 I HA -0.072 4.098 4.170 -0.000 0.000 0.262 215 I C 1.918 178.068 176.117 0.055 0.000 1.132 215 I CA 0.914 62.209 61.300 -0.008 0.000 1.450 215 I CB -1.450 36.611 38.000 0.102 0.000 1.315 215 I HN 0.246 nan 8.210 nan 0.000 0.460 216 H N 2.273 121.310 119.070 -0.055 0.000 2.357 216 H HA -0.121 4.434 4.556 -0.000 0.000 0.296 216 H C -0.674 174.619 175.328 -0.059 0.000 1.108 216 H CA 1.690 57.706 56.048 -0.053 0.000 1.273 216 H CB -1.054 28.678 29.762 -0.051 0.000 1.367 216 H HN 0.336 nan 8.280 nan 0.000 0.498 217 P HA 0.025 nan 4.420 nan 0.000 0.255 217 P C 0.796 178.079 177.300 -0.029 0.000 1.248 217 P CA 0.839 63.941 63.100 0.003 0.000 0.807 217 P CB -0.301 31.383 31.700 -0.027 0.000 1.150 218 I N -5.588 114.940 120.570 -0.071 0.000 4.050 218 I HA 0.236 4.406 4.170 -0.000 0.000 0.327 218 I C 1.293 177.342 176.117 -0.113 0.000 1.473 218 I CA -0.255 60.974 61.300 -0.120 0.000 1.124 218 I CB 0.243 38.106 38.000 -0.228 0.000 1.129 218 I HN -0.383 nan 8.210 nan 0.000 0.428 219 V N 1.652 121.553 119.914 -0.021 0.000 2.913 219 V HA -0.030 4.090 4.120 -0.000 0.000 0.260 219 V C 1.847 178.059 176.094 0.197 0.000 1.098 219 V CA 1.804 64.180 62.300 0.127 0.000 1.121 219 V CB -0.331 31.555 31.823 0.105 0.000 0.714 219 V HN 0.441 nan 8.190 nan 0.000 0.487 220 E N -0.024 120.246 120.200 0.116 0.000 2.451 220 E HA 0.104 4.454 4.350 -0.000 0.000 0.194 220 E C 0.650 177.316 176.600 0.110 0.000 1.027 220 E CA -0.086 56.382 56.400 0.113 0.000 0.914 220 E CB 0.322 30.066 29.700 0.073 0.000 1.054 220 E HN 0.724 nan 8.360 nan 0.000 0.461 221 Q N 1.254 121.129 119.800 0.125 0.000 2.304 221 Q HA -0.010 4.330 4.340 -0.000 0.000 0.260 221 Q C 1.117 177.204 176.000 0.145 0.000 0.965 221 Q CA 0.021 55.888 55.803 0.107 0.000 0.898 221 Q CB 1.013 29.789 28.738 0.063 0.000 1.196 221 Q HN 0.042 nan 8.270 nan 0.000 0.402 222 E N 3.543 123.807 120.200 0.107 0.000 2.149 222 E HA -0.357 3.993 4.350 -0.000 0.000 0.215 222 E C 0.707 177.389 176.600 0.136 0.000 1.055 222 E CA 2.440 58.904 56.400 0.105 0.000 0.870 222 E CB -0.061 29.686 29.700 0.080 0.000 0.764 222 E HN 0.868 nan 8.360 nan 0.000 0.463 223 N N -0.414 118.382 118.700 0.160 0.000 2.276 223 N HA 0.005 4.745 4.740 -0.000 0.000 0.212 223 N C -0.785 174.870 175.510 0.242 0.000 1.127 223 N CA -0.138 53.021 53.050 0.181 0.000 0.834 223 N CB -0.003 38.580 38.487 0.160 0.000 1.014 223 N HN 0.205 nan 8.380 nan 0.000 0.491 224 F N 1.073 121.061 119.950 0.063 0.000 2.539 224 F HA 0.499 5.026 4.527 -0.000 0.000 0.318 224 F C -1.137 174.671 175.800 0.013 0.000 1.135 224 F CA -0.461 57.554 58.000 0.025 0.000 0.915 224 F CB 1.758 40.773 39.000 0.025 0.000 1.176 224 F HN -0.164 nan 8.300 nan 0.000 0.440 225 T N 7.023 121.111 114.554 -0.777 0.000 2.779 225 T HA 0.442 4.792 4.350 -0.000 0.000 0.280 225 T C -0.821 173.323 174.700 -0.927 0.000 0.987 225 T CA -0.632 61.086 62.100 -0.637 0.000 0.966 225 T CB 1.592 70.247 68.868 -0.354 0.000 0.933 225 T HN 0.603 nan 8.240 nan 0.000 0.442 226 L N 4.135 125.069 121.223 -0.481 0.000 2.295 226 L HA 0.597 4.937 4.340 -0.000 0.000 0.285 226 L C -1.153 175.707 176.870 -0.017 0.000 1.035 226 L CA -0.980 53.742 54.840 -0.196 0.000 0.806 226 L CB 1.045 43.172 42.059 0.114 0.000 1.214 226 L HN 0.622 nan 8.230 nan 0.000 0.426 227 L N 4.520 125.732 121.223 -0.018 0.000 2.442 227 L HA 0.336 4.675 4.340 -0.000 0.000 0.261 227 L C -0.243 176.661 176.870 0.057 0.000 1.000 227 L CA -0.354 54.491 54.840 0.008 0.000 0.882 227 L CB 1.938 43.971 42.059 -0.044 0.000 1.207 227 L HN 0.602 nan 8.230 nan 0.000 0.443 228 T N -1.526 113.090 114.554 0.103 0.000 2.927 228 T HA 0.524 4.874 4.350 -0.000 0.000 0.281 228 T C 1.142 175.892 174.700 0.082 0.000 0.998 228 T CA -0.025 62.145 62.100 0.118 0.000 1.019 228 T CB 1.754 70.743 68.868 0.202 0.000 1.061 228 T HN 0.760 nan 8.240 nan 0.000 0.518 229 G N 0.593 109.438 108.800 0.074 0.000 2.258 229 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.274 229 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.274 229 G C -0.155 174.790 174.900 0.074 0.000 1.021 229 G CA -0.083 45.051 45.100 0.056 0.000 0.798 229 G HN 0.690 nan 8.290 nan 0.000 0.507 230 L N -0.045 121.229 121.223 0.085 0.000 2.372 230 L HA 0.514 4.854 4.340 -0.000 0.000 0.273 230 L C 0.399 177.332 176.870 0.105 0.000 0.989 230 L CA -0.760 54.133 54.840 0.088 0.000 0.841 230 L CB 1.754 43.850 42.059 0.062 0.000 1.225 230 L HN 0.356 nan 8.230 nan 0.000 0.414 231 R N 3.048 123.619 120.500 0.118 0.000 2.494 231 R HA 0.738 5.078 4.340 -0.000 0.000 0.305 231 R C -0.678 175.646 176.300 0.039 0.000 0.959 231 R CA -0.412 55.776 56.100 0.145 0.000 0.864 231 R CB 1.936 32.386 30.300 0.252 0.000 1.159 231 R HN 0.653 nan 8.270 nan 0.000 0.446 232 A N 4.382 127.207 122.820 0.008 0.000 2.320 232 A HA 0.243 4.563 4.320 -0.000 0.000 0.287 232 A C 0.783 178.242 177.584 -0.209 0.000 1.181 232 A CA -0.711 51.274 52.037 -0.085 0.000 0.831 232 A CB 0.567 19.537 19.000 -0.050 0.000 1.102 232 A HN 1.063 nan 8.150 nan 0.000 0.513 233 R N 1.044 121.326 120.500 -0.363 0.000 2.175 233 R HA 0.229 4.569 4.340 -0.000 0.000 0.202 233 R C -0.371 175.739 176.300 -0.317 0.000 1.018 233 R CA 0.545 56.270 56.100 -0.625 0.000 1.029 233 R CB 0.183 29.799 30.300 -1.140 0.000 0.959 233 R HN 0.694 nan 8.270 nan 0.000 0.480 234 Q N 0.575 120.247 119.800 -0.213 0.000 2.479 234 Q HA 0.436 4.776 4.340 -0.000 0.000 0.276 234 Q C -1.548 174.365 176.000 -0.146 0.000 0.989 234 Q CA -0.611 55.111 55.803 -0.136 0.000 0.864 234 Q CB 2.682 31.354 28.738 -0.110 0.000 1.444 234 Q HN 0.002 nan 8.270 nan 0.000 0.388 235 L N 0.624 121.751 121.223 -0.159 0.000 2.431 235 L HA 0.790 5.130 4.340 -0.000 0.000 0.260 235 L C -0.554 176.058 176.870 -0.429 0.000 1.098 235 L CA -1.175 53.493 54.840 -0.287 0.000 0.800 235 L CB 1.221 43.092 42.059 -0.315 0.000 1.210 235 L HN 0.405 nan 8.230 nan 0.000 0.465 236 V N 1.202 120.735 119.914 -0.635 0.000 2.623 236 V HA 0.506 4.626 4.120 -0.000 0.000 0.304 236 V C -1.320 174.406 176.094 -0.613 0.000 1.054 236 V CA -0.279 61.725 62.300 -0.492 0.000 0.882 236 V CB 1.758 33.451 31.823 -0.216 0.000 1.002 236 V HN 0.464 nan 8.190 nan 0.000 0.424 237 F N 3.560 123.505 119.950 -0.008 0.000 2.532 237 F HA 0.564 5.091 4.527 -0.000 0.000 0.321 237 F C 0.577 176.374 175.800 -0.006 0.000 1.089 237 F CA -0.804 57.193 58.000 -0.005 0.000 0.926 237 F CB 1.315 40.312 39.000 -0.005 0.000 1.168 237 F HN 0.425 nan 8.300 nan 0.000 0.459 238 D N 0.860 121.375 120.400 0.192 0.000 2.341 238 D HA 0.047 4.687 4.640 -0.000 0.000 0.233 238 D C 1.173 177.531 176.300 0.096 0.000 1.270 238 D CA 0.618 54.681 54.000 0.106 0.000 0.883 238 D CB 0.745 41.595 40.800 0.085 0.000 1.207 238 D HN 0.655 nan 8.370 nan 0.000 0.471 239 A N 1.429 124.282 122.820 0.055 0.000 1.917 239 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 239 A C 1.588 179.188 177.584 0.027 0.000 1.182 239 A CA 1.640 53.699 52.037 0.036 0.000 0.633 239 A CB -0.234 18.779 19.000 0.022 0.000 0.819 239 A HN 0.526 nan 8.150 nan 0.000 0.448 240 D N -1.399 119.020 120.400 0.031 0.000 2.348 240 D HA -0.014 4.626 4.640 -0.000 0.000 0.216 240 D C 0.615 176.927 176.300 0.019 0.000 0.970 240 D CA 0.552 54.564 54.000 0.021 0.000 0.889 240 D CB -0.085 40.730 40.800 0.024 0.000 0.912 240 D HN 0.468 nan 8.370 nan 0.000 0.524 241 R N -0.690 119.838 120.500 0.047 0.000 3.804 241 R HA -0.157 4.183 4.340 -0.000 0.000 0.459 241 R C 0.499 176.881 176.300 0.138 0.000 1.009 241 R CA 0.271 56.394 56.100 0.038 0.000 1.210 241 R CB -1.761 28.468 30.300 -0.118 0.000 1.860 241 R HN 0.174 nan 8.270 nan 0.000 0.526 242 R N 1.934 122.512 120.500 0.130 0.000 2.480 242 R HA 0.021 4.361 4.340 -0.000 0.000 0.303 242 R C 0.187 176.621 176.300 0.224 0.000 0.985 242 R CA 0.562 56.748 56.100 0.143 0.000 1.051 242 R CB 0.339 30.687 30.300 0.080 0.000 0.935 242 R HN 0.287 nan 8.270 nan 0.000 0.410 243 C N 5.578 125.034 119.300 0.260 0.000 2.624 243 C HA 0.146 4.606 4.460 -0.000 0.000 0.397 243 C C 1.876 176.860 174.990 -0.010 0.000 1.331 243 C CA 0.112 59.210 59.018 0.133 0.000 1.716 243 C CB -0.456 27.372 27.740 0.145 0.000 2.452 243 C HN 0.930 nan 8.230 nan 0.000 0.586 244 T N 2.566 117.069 114.554 -0.085 0.000 3.001 244 T HA 0.532 4.882 4.350 -0.000 0.000 0.251 244 T C 0.781 175.443 174.700 -0.064 0.000 1.040 244 T CA 0.596 62.665 62.100 -0.052 0.000 0.985 244 T CB 0.189 69.035 68.868 -0.037 0.000 1.011 244 T HN 1.551 nan 8.240 nan 0.000 0.509 245 G N 0.087 108.822 108.800 -0.108 0.000 2.344 245 G HA2 0.424 4.384 3.960 -0.000 0.000 0.282 245 G HA3 0.424 4.384 3.960 -0.000 0.000 0.282 245 G C -2.099 172.731 174.900 -0.116 0.000 1.281 245 G CA -0.032 45.024 45.100 -0.074 0.000 0.877 245 G HN 0.764 nan 8.290 nan 0.000 0.494 246 V N 0.286 120.156 119.914 -0.074 0.000 2.851 246 V HA 0.623 4.743 4.120 -0.000 0.000 0.307 246 V C -1.698 174.359 176.094 -0.062 0.000 1.129 246 V CA -0.853 61.394 62.300 -0.088 0.000 0.932 246 V CB 2.125 33.907 31.823 -0.068 0.000 1.024 246 V HN 0.733 nan 8.190 nan 0.000 0.426 247 D N 6.050 126.396 120.400 -0.090 0.000 2.249 247 D HA 0.536 5.176 4.640 -0.000 0.000 0.246 247 D C 0.145 176.387 176.300 -0.097 0.000 1.114 247 D CA 0.321 54.273 54.000 -0.080 0.000 0.854 247 D CB 1.699 42.435 40.800 -0.106 0.000 1.132 247 D HN 0.716 nan 8.370 nan 0.000 0.461 248 I N -1.203 119.343 120.570 -0.039 0.000 3.436 248 I HA 0.760 4.930 4.170 -0.000 0.000 0.296 248 I C -0.423 175.693 176.117 -0.003 0.000 1.143 248 I CA -1.179 60.106 61.300 -0.025 0.000 1.009 248 I CB 1.941 39.965 38.000 0.040 0.000 1.301 248 I HN 0.132 nan 8.210 nan 0.000 0.503 249 V N -1.362 118.580 119.914 0.047 0.000 2.969 249 V HA 0.451 4.571 4.120 -0.000 0.000 0.304 249 V C -1.013 175.173 176.094 0.154 0.000 1.192 249 V CA -0.566 61.796 62.300 0.104 0.000 0.962 249 V CB 1.554 33.429 31.823 0.088 0.000 1.045 249 V HN 0.858 nan 8.190 nan 0.000 0.428 250 D N 2.416 122.929 120.400 0.187 0.000 2.363 250 D HA 0.325 4.965 4.640 -0.000 0.000 0.226 250 D C 0.756 177.142 176.300 0.144 0.000 1.020 250 D CA 1.391 55.489 54.000 0.163 0.000 0.892 250 D CB 0.108 41.021 40.800 0.188 0.000 0.900 250 D HN 1.337 nan 8.370 nan 0.000 0.531 251 S N -2.181 113.620 115.700 0.168 0.000 2.769 251 S HA 0.402 4.872 4.470 -0.000 0.000 0.283 251 S C 0.896 175.645 174.600 0.248 0.000 0.936 251 S CA -0.534 57.777 58.200 0.185 0.000 0.893 251 S CB 0.310 63.605 63.200 0.158 0.000 1.125 251 S HN 0.093 nan 8.310 nan 0.000 0.464 252 A N 1.260 124.254 122.820 0.291 0.000 1.997 252 A HA -0.133 4.187 4.320 -0.000 0.000 0.226 252 A C 1.255 178.872 177.584 0.055 0.000 1.327 252 A CA 2.689 54.877 52.037 0.253 0.000 0.693 252 A CB -1.169 18.050 19.000 0.365 0.000 0.832 252 A HN 1.260 nan 8.150 nan 0.000 0.497 253 F N -1.130 118.849 119.950 0.048 0.000 2.682 253 F HA 0.351 4.878 4.527 -0.000 0.000 0.308 253 F C 1.781 177.561 175.800 -0.033 0.000 1.093 253 F CA -0.411 57.587 58.000 -0.002 0.000 1.244 253 F CB -0.374 38.617 39.000 -0.015 0.000 1.052 253 F HN 0.288 nan 8.300 nan 0.000 0.573 254 G N -0.540 108.352 108.800 0.154 0.000 2.447 254 G HA2 0.093 4.052 3.960 -0.000 0.000 0.269 254 G HA3 0.093 4.052 3.960 -0.000 0.000 0.269 254 G C -0.357 174.516 174.900 -0.046 0.000 1.455 254 G CA -0.321 44.852 45.100 0.120 0.000 1.061 254 G HN 0.242 nan 8.290 nan 0.000 0.545 255 H N -1.300 117.767 119.070 -0.006 0.000 2.533 255 H HA 0.307 4.863 4.556 -0.000 0.000 0.343 255 H C -0.345 174.811 175.328 -0.287 0.000 1.160 255 H CA -0.426 55.532 56.048 -0.150 0.000 1.218 255 H CB 1.518 31.152 29.762 -0.213 0.000 1.566 255 H HN 0.288 nan 8.280 nan 0.000 0.522 256 T N 4.031 118.493 114.554 -0.154 0.000 2.727 256 T HA 0.107 4.457 4.350 -0.000 0.000 0.295 256 T C 0.317 174.865 174.700 -0.254 0.000 0.915 256 T CA -0.300 61.703 62.100 -0.162 0.000 1.066 256 T CB -0.322 68.482 68.868 -0.107 0.000 0.891 256 T HN 0.347 nan 8.240 nan 0.000 0.516 257 H N 2.368 121.448 119.070 0.018 0.000 2.517 257 H HA 0.514 5.070 4.556 -0.000 0.000 0.346 257 H C 0.301 175.623 175.328 -0.010 0.000 1.222 257 H CA -0.804 55.250 56.048 0.009 0.000 1.314 257 H CB 1.347 31.119 29.762 0.017 0.000 1.609 257 H HN 0.394 nan 8.280 nan 0.000 0.571 258 R N 1.679 122.247 120.500 0.114 0.000 2.388 258 R HA 0.337 4.677 4.340 -0.000 0.000 0.314 258 R C -1.291 175.034 176.300 0.041 0.000 0.959 258 R CA -0.545 55.581 56.100 0.044 0.000 0.851 258 R CB 0.301 30.606 30.300 0.007 0.000 1.168 258 R HN 0.424 nan 8.270 nan 0.000 0.472 259 L N 3.726 124.977 121.223 0.046 0.000 2.276 259 L HA 0.401 4.741 4.340 -0.000 0.000 0.286 259 L C 0.050 176.949 176.870 0.048 0.000 1.061 259 L CA -0.546 54.340 54.840 0.076 0.000 0.807 259 L CB 1.833 43.969 42.059 0.127 0.000 1.177 259 L HN 0.590 nan 8.230 nan 0.000 0.429 260 T N 2.449 117.020 114.554 0.029 0.000 2.829 260 T HA 0.635 4.985 4.350 -0.000 0.000 0.282 260 T C -0.086 174.639 174.700 0.041 0.000 0.990 260 T CA -0.441 61.658 62.100 -0.001 0.000 1.028 260 T CB 1.617 70.456 68.868 -0.048 0.000 0.951 260 T HN 0.679 nan 8.240 nan 0.000 0.460 261 A N 3.229 126.065 122.820 0.026 0.000 2.342 261 A HA 0.575 4.895 4.320 -0.000 0.000 0.323 261 A C 1.010 178.578 177.584 -0.028 0.000 1.125 261 A CA -0.718 51.339 52.037 0.033 0.000 0.785 261 A CB 1.083 20.113 19.000 0.049 0.000 1.221 261 A HN 0.908 nan 8.150 nan 0.000 0.463 262 R N 1.067 121.525 120.500 -0.071 0.000 2.052 262 R HA -0.055 4.285 4.340 -0.000 0.000 0.224 262 R C 1.403 177.633 176.300 -0.118 0.000 1.165 262 R CA 1.513 57.554 56.100 -0.099 0.000 0.939 262 R CB -0.128 30.100 30.300 -0.119 0.000 0.834 262 R HN 0.818 nan 8.270 nan 0.000 0.435 263 N N 0.083 118.639 118.700 -0.241 0.000 2.132 263 N HA -0.014 4.726 4.740 -0.000 0.000 0.187 263 N C 0.107 175.604 175.510 -0.022 0.000 1.038 263 N CA 1.117 54.045 53.050 -0.203 0.000 0.846 263 N CB 0.365 38.574 38.487 -0.464 0.000 1.012 263 N HN 0.210 nan 8.380 nan 0.000 0.429 264 E N -0.207 120.016 120.200 0.038 0.000 2.388 264 E HA 0.318 4.668 4.350 -0.000 0.000 0.280 264 E C -1.433 175.295 176.600 0.213 0.000 1.019 264 E CA -0.427 56.091 56.400 0.196 0.000 0.806 264 E CB 2.952 32.853 29.700 0.335 0.000 1.246 264 E HN -0.249 nan 8.360 nan 0.000 0.443 265 V N 1.539 121.535 119.914 0.137 0.000 2.495 265 V HA 0.363 4.483 4.120 -0.000 0.000 0.298 265 V C -0.379 175.764 176.094 0.081 0.000 1.031 265 V CA -0.813 61.546 62.300 0.097 0.000 0.871 265 V CB 1.798 33.642 31.823 0.034 0.000 0.988 265 V HN 0.445 nan 8.190 nan 0.000 0.432 266 V N 7.012 126.963 119.914 0.062 0.000 2.417 266 V HA 0.557 4.677 4.120 -0.000 0.000 0.291 266 V C -0.240 175.862 176.094 0.015 0.000 1.024 266 V CA -0.457 61.863 62.300 0.033 0.000 0.861 266 V CB 1.460 33.293 31.823 0.016 0.000 0.985 266 V HN 0.771 nan 8.190 nan 0.000 0.436 267 L N 5.547 126.774 121.223 0.008 0.000 2.416 267 L HA 0.341 4.681 4.340 -0.000 0.000 0.272 267 L C 0.864 177.729 176.870 -0.010 0.000 1.161 267 L CA 0.331 55.169 54.840 -0.004 0.000 0.845 267 L CB 1.470 43.523 42.059 -0.009 0.000 1.119 267 L HN 0.822 nan 8.230 nan 0.000 0.464 268 S N -0.923 114.772 115.700 -0.008 0.000 3.073 268 S HA 0.024 4.494 4.470 -0.000 0.000 0.252 268 S C 0.912 175.512 174.600 -0.000 0.000 0.953 268 S CA -0.197 57.998 58.200 -0.008 0.000 1.105 268 S CB 0.373 63.570 63.200 -0.005 0.000 1.070 268 S HN 0.845 nan 8.310 nan 0.000 0.574 269 T N -0.060 114.488 114.554 -0.011 0.000 3.194 269 T HA 0.472 4.821 4.350 -0.000 0.000 0.251 269 T C 1.193 175.873 174.700 -0.034 0.000 1.132 269 T CA 0.397 62.488 62.100 -0.015 0.000 1.028 269 T CB -0.239 68.601 68.868 -0.046 0.000 0.976 269 T HN 0.721 nan 8.240 nan 0.000 0.535 270 G N 0.754 109.535 108.800 -0.031 0.000 2.782 270 G HA2 0.078 4.038 3.960 -0.000 0.000 0.228 270 G HA3 0.078 4.038 3.960 -0.000 0.000 0.228 270 G C 0.765 175.628 174.900 -0.062 0.000 1.372 270 G CA -0.383 44.699 45.100 -0.030 0.000 0.862 270 G HN 0.916 nan 8.290 nan 0.000 0.547 271 A N -0.927 121.862 122.820 -0.052 0.000 2.167 271 A HA 0.402 4.722 4.320 -0.000 0.000 0.214 271 A C 2.240 179.752 177.584 -0.121 0.000 1.151 271 A CA 1.934 53.919 52.037 -0.085 0.000 0.735 271 A CB -0.262 18.695 19.000 -0.072 0.000 0.802 271 A HN 0.767 nan 8.150 nan 0.000 0.467 272 I N -1.929 118.563 120.570 -0.131 0.000 2.947 272 I HA -0.011 4.159 4.170 -0.000 0.000 0.263 272 I C 1.544 177.496 176.117 -0.275 0.000 1.130 272 I CA 0.568 61.728 61.300 -0.234 0.000 1.448 272 I CB -0.311 37.519 38.000 -0.284 0.000 1.222 272 I HN 0.188 nan 8.210 nan 0.000 0.453 273 D N 0.860 121.113 120.400 -0.246 0.000 2.183 273 D HA -0.084 4.556 4.640 -0.000 0.000 0.205 273 D C 1.979 178.185 176.300 -0.156 0.000 0.962 273 D CA 1.295 55.148 54.000 -0.244 0.000 0.849 273 D CB 0.301 40.926 40.800 -0.291 0.000 0.978 273 D HN 0.187 nan 8.370 nan 0.000 0.488 274 T N 1.842 116.324 114.554 -0.120 0.000 2.597 274 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 274 T C -1.023 173.627 174.700 -0.084 0.000 1.053 274 T CA 1.665 63.714 62.100 -0.086 0.000 1.165 274 T CB -1.061 67.763 68.868 -0.074 0.000 0.863 274 T HN 0.242 nan 8.240 nan 0.000 0.427 275 P HA -0.032 nan 4.420 nan 0.000 0.226 275 P C 1.238 178.487 177.300 -0.086 0.000 1.153 275 P CA 1.155 64.198 63.100 -0.095 0.000 0.777 275 P CB 0.006 31.633 31.700 -0.122 0.000 0.794 276 K N 0.365 120.699 120.400 -0.110 0.000 2.044 276 K HA -0.004 4.316 4.320 -0.000 0.000 0.204 276 K C 2.280 178.847 176.600 -0.055 0.000 1.049 276 K CA 0.481 56.711 56.287 -0.095 0.000 0.945 276 K CB -0.753 31.658 32.500 -0.148 0.000 0.724 276 K HN -0.003 nan 8.250 nan 0.000 0.440 277 L N 1.292 122.480 121.223 -0.060 0.000 2.051 277 L HA -0.235 4.105 4.340 -0.000 0.000 0.214 277 L C 2.471 179.334 176.870 -0.012 0.000 1.076 277 L CA 1.314 56.131 54.840 -0.039 0.000 0.758 277 L CB -0.270 41.760 42.059 -0.047 0.000 0.890 277 L HN 0.334 nan 8.230 nan 0.000 0.433 278 L N -1.414 119.806 121.223 -0.005 0.000 2.044 278 L HA -0.237 4.103 4.340 -0.000 0.000 0.205 278 L C 2.632 179.527 176.870 0.040 0.000 1.075 278 L CA 1.217 56.075 54.840 0.030 0.000 0.747 278 L CB -0.284 41.783 42.059 0.013 0.000 0.903 278 L HN 0.302 nan 8.230 nan 0.000 0.435 279 M N -0.551 119.062 119.600 0.021 0.000 2.149 279 M HA -0.242 4.238 4.480 -0.000 0.000 0.261 279 M C 2.203 178.523 176.300 0.034 0.000 1.064 279 M CA 1.723 57.046 55.300 0.038 0.000 1.102 279 M CB -0.414 32.222 32.600 0.060 0.000 1.369 279 M HN 0.242 nan 8.290 nan 0.000 0.408 280 L N -0.762 120.473 121.223 0.021 0.000 2.362 280 L HA -0.123 4.217 4.340 -0.000 0.000 0.219 280 L C 1.798 178.690 176.870 0.037 0.000 1.134 280 L CA 0.646 55.498 54.840 0.020 0.000 0.807 280 L CB -0.341 41.726 42.059 0.013 0.000 0.927 280 L HN 0.189 nan 8.230 nan 0.000 0.447 281 S N -0.881 114.859 115.700 0.067 0.000 2.557 281 S HA 0.316 4.786 4.470 -0.000 0.000 0.223 281 S C 1.336 176.051 174.600 0.191 0.000 0.969 281 S CA 0.512 58.794 58.200 0.137 0.000 0.927 281 S CB 0.924 64.227 63.200 0.172 0.000 0.806 281 S HN 0.582 nan 8.310 nan 0.000 0.489 282 G N 1.580 110.437 108.800 0.095 0.000 2.184 282 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.206 282 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.206 282 G C -0.087 174.813 174.900 0.000 0.000 0.995 282 G CA -0.504 44.622 45.100 0.044 0.000 0.651 282 G HN 0.473 nan 8.290 nan 0.000 0.511 283 I N 1.680 122.259 120.570 0.015 0.000 2.337 283 I HA 0.676 4.846 4.170 -0.000 0.000 0.285 283 I C 0.835 176.952 176.117 -0.000 0.000 1.041 283 I CA 0.297 61.588 61.300 -0.015 0.000 1.199 283 I CB 1.129 39.123 38.000 -0.009 0.000 1.370 283 I HN 0.454 nan 8.210 nan 0.000 0.470 284 G N 6.262 115.060 108.800 -0.004 0.000 2.348 284 G HA2 0.376 4.336 3.960 -0.000 0.000 0.296 284 G HA3 0.376 4.336 3.960 -0.000 0.000 0.296 284 G C -3.348 171.555 174.900 0.006 0.000 1.258 284 G CA -0.793 44.309 45.100 0.005 0.000 0.868 284 G HN 0.169 nan 8.290 nan 0.000 0.488 285 P HA 0.386 nan 4.420 nan 0.000 0.268 285 P C 0.657 177.981 177.300 0.041 0.000 1.204 285 P CA 0.664 63.769 63.100 0.009 0.000 0.768 285 P CB 1.437 33.129 31.700 -0.012 0.000 0.842 286 A N 4.062 126.890 122.820 0.013 0.000 1.929 286 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 286 A C 2.086 179.674 177.584 0.006 0.000 1.176 286 A CA 1.636 53.676 52.037 0.005 0.000 0.628 286 A CB -1.447 17.547 19.000 -0.011 0.000 0.816 286 A HN 0.515 nan 8.150 nan 0.000 0.444 287 A N -1.133 121.694 122.820 0.011 0.000 2.067 287 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 287 A C 1.922 179.515 177.584 0.016 0.000 1.158 287 A CA 2.017 54.055 52.037 0.002 0.000 0.661 287 A CB -0.650 18.350 19.000 -0.001 0.000 0.801 287 A HN 0.788 nan 8.150 nan 0.000 0.452 288 H N -0.568 118.474 119.070 -0.046 0.000 2.370 288 H HA 0.200 4.755 4.556 -0.000 0.000 0.304 288 H C 1.719 177.051 175.328 0.006 0.000 1.055 288 H CA 1.206 57.234 56.048 -0.034 0.000 1.373 288 H CB -0.199 29.556 29.762 -0.011 0.000 1.423 288 H HN 0.276 nan 8.280 nan 0.000 0.533 289 L N 0.118 121.327 121.223 -0.023 0.000 2.012 289 L HA -0.167 4.172 4.340 -0.000 0.000 0.210 289 L C 2.735 179.563 176.870 -0.071 0.000 1.073 289 L CA 1.283 56.093 54.840 -0.050 0.000 0.748 289 L CB -0.794 41.269 42.059 0.008 0.000 0.891 289 L HN 0.448 nan 8.230 nan 0.000 0.431 290 A N -0.333 122.447 122.820 -0.066 0.000 1.969 290 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 290 A C 2.267 179.781 177.584 -0.116 0.000 1.169 290 A CA 1.609 53.605 52.037 -0.068 0.000 0.635 290 A CB -0.524 18.445 19.000 -0.051 0.000 0.810 290 A HN 0.517 nan 8.150 nan 0.000 0.445 291 E N -0.545 119.536 120.200 -0.198 0.000 2.204 291 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 291 E C 0.477 176.811 176.600 -0.443 0.000 0.990 291 E CA 1.161 57.364 56.400 -0.328 0.000 0.821 291 E CB -0.143 29.307 29.700 -0.417 0.000 0.750 291 E HN 0.854 nan 8.360 nan 0.000 0.477 292 H N -1.587 117.393 119.070 -0.150 0.000 2.469 292 H HA 0.295 4.851 4.556 -0.000 0.000 0.286 292 H C 0.635 175.912 175.328 -0.085 0.000 1.106 292 H CA 0.182 56.154 56.048 -0.126 0.000 1.055 292 H CB 1.098 30.756 29.762 -0.173 0.000 1.618 292 H HN 0.300 nan 8.280 nan 0.000 0.559 293 G N 1.090 109.881 108.800 -0.015 0.000 2.203 293 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.263 293 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.263 293 G C 0.014 174.914 174.900 0.000 0.000 1.012 293 G CA 0.352 45.446 45.100 -0.010 0.000 0.749 293 G HN 0.322 nan 8.290 nan 0.000 0.512 294 I N 0.205 120.776 120.570 0.002 0.000 2.472 294 I HA 0.326 4.496 4.170 -0.000 0.000 0.290 294 I C 0.763 176.879 176.117 -0.001 0.000 1.016 294 I CA -0.550 60.753 61.300 0.006 0.000 1.348 294 I CB 1.330 39.336 38.000 0.011 0.000 1.417 294 I HN 0.129 nan 8.210 nan 0.000 0.521 295 E N 5.148 125.351 120.200 0.006 0.000 2.152 295 E HA 0.217 4.567 4.350 -0.000 0.000 0.285 295 E C -1.104 175.495 176.600 -0.002 0.000 1.043 295 E CA -0.574 55.827 56.400 0.002 0.000 0.839 295 E CB 1.006 30.711 29.700 0.008 0.000 1.069 295 E HN 0.394 nan 8.360 nan 0.000 0.399 296 V N 7.277 127.183 119.914 -0.013 0.000 2.390 296 V HA -0.047 4.073 4.120 -0.000 0.000 0.260 296 V C 1.302 177.371 176.094 -0.042 0.000 1.043 296 V CA 0.229 62.515 62.300 -0.023 0.000 1.047 296 V CB 0.357 32.166 31.823 -0.024 0.000 1.066 296 V HN 0.790 nan 8.190 nan 0.000 0.481 297 L N 5.701 126.887 121.223 -0.062 0.000 2.084 297 L HA 0.195 4.535 4.340 -0.000 0.000 0.202 297 L C 0.662 177.449 176.870 -0.139 0.000 1.074 297 L CA 1.460 56.226 54.840 -0.123 0.000 0.757 297 L CB 0.460 42.392 42.059 -0.212 0.000 0.918 297 L HN 0.463 nan 8.230 nan 0.000 0.444 298 V N -0.314 119.524 119.914 -0.125 0.000 2.638 298 V HA 0.236 4.356 4.120 -0.000 0.000 0.306 298 V C -1.275 174.782 176.094 -0.063 0.000 1.052 298 V CA -0.987 61.252 62.300 -0.101 0.000 0.885 298 V CB 1.753 33.501 31.823 -0.125 0.000 0.999 298 V HN 0.039 nan 8.190 nan 0.000 0.424 299 D N 3.071 123.441 120.400 -0.050 0.000 2.344 299 D HA 0.185 4.825 4.640 -0.000 0.000 0.253 299 D C -0.049 176.229 176.300 -0.036 0.000 1.255 299 D CA 0.716 54.695 54.000 -0.035 0.000 0.894 299 D CB 1.024 41.806 40.800 -0.030 0.000 1.067 299 D HN 0.436 nan 8.370 nan 0.000 0.492 300 S N 4.985 120.665 115.700 -0.034 0.000 2.112 300 S HA 0.282 4.751 4.470 -0.000 0.000 0.151 300 S C -1.975 172.601 174.600 -0.040 0.000 1.723 300 S CA -1.111 57.068 58.200 -0.036 0.000 1.263 300 S CB 0.866 64.043 63.200 -0.038 0.000 1.194 300 S HN 0.344 nan 8.310 nan 0.000 0.419 301 P HA 0.054 nan 4.420 nan 0.000 0.236 301 P C 1.195 178.438 177.300 -0.095 0.000 1.172 301 P CA 0.532 63.597 63.100 -0.059 0.000 0.759 301 P CB -0.182 31.490 31.700 -0.046 0.000 0.843 302 G N -0.204 108.551 108.800 -0.073 0.000 2.744 302 G HA2 0.030 3.990 3.960 -0.000 0.000 0.211 302 G HA3 0.030 3.990 3.960 -0.000 0.000 0.211 302 G C 0.416 175.236 174.900 -0.134 0.000 1.146 302 G CA -0.040 45.004 45.100 -0.094 0.000 0.787 302 G HN 0.129 nan 8.290 nan 0.000 0.534 303 V N 1.679 121.532 119.914 -0.101 0.000 2.452 303 V HA 0.391 4.511 4.120 -0.000 0.000 0.286 303 V C 1.614 177.621 176.094 -0.145 0.000 0.995 303 V CA 1.451 63.691 62.300 -0.100 0.000 1.116 303 V CB -0.030 31.755 31.823 -0.063 0.000 0.954 303 V HN 0.751 nan 8.190 nan 0.000 0.473 304 G N 3.575 112.279 108.800 -0.161 0.000 2.176 304 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.253 304 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.253 304 G C 0.130 174.882 174.900 -0.247 0.000 0.979 304 G CA 0.015 45.000 45.100 -0.191 0.000 0.641 304 G HN 0.598 nan 8.290 nan 0.000 0.530 305 E N -0.377 119.631 120.200 -0.320 0.000 2.312 305 E HA 0.516 4.866 4.350 -0.000 0.000 0.259 305 E C 0.954 177.275 176.600 -0.464 0.000 1.122 305 E CA -0.144 55.957 56.400 -0.498 0.000 0.922 305 E CB 0.169 29.385 29.700 -0.808 0.000 1.109 305 E HN 0.620 nan 8.360 nan 0.000 0.442 306 H N -1.820 117.164 119.070 -0.144 0.000 3.109 306 H HA -0.188 4.368 4.556 -0.000 0.000 0.245 306 H C 0.161 175.391 175.328 -0.163 0.000 1.187 306 H CA 0.015 55.974 56.048 -0.149 0.000 1.136 306 H CB -1.639 28.023 29.762 -0.167 0.000 1.243 306 H HN 0.144 nan 8.280 nan 0.000 0.328 307 L N 2.379 123.538 121.223 -0.106 0.000 2.628 307 L HA 0.024 4.364 4.340 -0.000 0.000 0.274 307 L C 0.339 177.143 176.870 -0.110 0.000 1.209 307 L CA 1.051 55.810 54.840 -0.135 0.000 0.930 307 L CB 0.356 42.303 42.059 -0.187 0.000 1.183 307 L HN 0.281 nan 8.230 nan 0.000 0.492 308 Q N 3.622 123.361 119.800 -0.101 0.000 2.377 308 Q HA 0.636 4.975 4.340 -0.000 0.000 0.271 308 Q C -1.276 174.751 176.000 0.045 0.000 1.077 308 Q CA -0.840 54.943 55.803 -0.034 0.000 0.820 308 Q CB 2.387 31.109 28.738 -0.026 0.000 1.347 308 Q HN 0.637 nan 8.270 nan 0.000 0.444 309 D N -0.482 120.012 120.400 0.157 0.000 2.655 309 D HA 0.227 4.867 4.640 -0.000 0.000 0.229 309 D C -1.603 174.741 176.300 0.073 0.000 1.229 309 D CA -0.600 53.521 54.000 0.201 0.000 0.807 309 D CB 1.323 42.309 40.800 0.310 0.000 1.514 309 D HN 0.497 nan 8.370 nan 0.000 0.444 310 H N 1.946 121.085 119.070 0.116 0.000 2.911 310 H HA 0.326 4.882 4.556 -0.000 0.000 0.273 310 H C -1.752 173.532 175.328 -0.073 0.000 1.157 310 H CA -1.530 54.499 56.048 -0.033 0.000 1.402 310 H CB 0.784 30.522 29.762 -0.040 0.000 1.463 310 H HN 0.004 nan 8.280 nan 0.000 0.475 311 P HA 0.050 nan 4.420 nan 0.000 0.280 311 P C -0.439 176.825 177.300 -0.060 0.000 1.244 311 P CA -0.281 62.702 63.100 -0.196 0.000 0.784 311 P CB 1.635 33.038 31.700 -0.494 0.000 0.913 312 E N 1.858 122.042 120.200 -0.028 0.000 2.238 312 E HA 0.623 4.973 4.350 -0.000 0.000 0.267 312 E C -0.630 176.049 176.600 0.131 0.000 0.887 312 E CA -0.977 55.449 56.400 0.045 0.000 0.769 312 E CB 1.469 31.147 29.700 -0.036 0.000 1.187 312 E HN 0.522 nan 8.360 nan 0.000 0.416 313 G N 1.112 110.004 108.800 0.152 0.000 2.932 313 G HA2 0.633 4.593 3.960 -0.000 0.000 0.283 313 G HA3 0.633 4.593 3.960 -0.000 0.000 0.283 313 G C -1.345 173.679 174.900 0.207 0.000 1.336 313 G CA -0.550 44.654 45.100 0.173 0.000 1.056 313 G HN 0.460 nan 8.290 nan 0.000 0.522 314 V N -0.865 119.197 119.914 0.247 0.000 2.891 314 V HA 0.615 4.735 4.120 -0.000 0.000 0.304 314 V C -1.241 175.004 176.094 0.251 0.000 1.171 314 V CA -0.531 61.939 62.300 0.284 0.000 0.943 314 V CB 2.098 34.132 31.823 0.352 0.000 1.037 314 V HN 0.655 nan 8.190 nan 0.000 0.427 315 V N 6.160 126.190 119.914 0.194 0.000 2.604 315 V HA 0.629 4.749 4.120 -0.000 0.000 0.305 315 V C -0.461 175.629 176.094 -0.006 0.000 1.043 315 V CA -0.564 61.749 62.300 0.021 0.000 0.888 315 V CB 1.746 33.602 31.823 0.056 0.000 0.995 315 V HN 0.941 nan 8.190 nan 0.000 0.429 316 Q N 2.937 122.575 119.800 -0.271 0.000 2.375 316 Q HA 0.729 5.069 4.340 -0.000 0.000 0.271 316 Q C -1.816 173.830 176.000 -0.589 0.000 1.074 316 Q CA -0.454 55.211 55.803 -0.230 0.000 0.808 316 Q CB 3.027 31.714 28.738 -0.084 0.000 1.327 316 Q HN 0.660 nan 8.270 nan 0.000 0.441 317 F N 0.240 119.964 119.950 -0.376 0.000 2.576 317 F HA 0.312 4.839 4.527 -0.000 0.000 0.313 317 F C 0.156 175.775 175.800 -0.302 0.000 1.078 317 F CA -0.906 56.847 58.000 -0.411 0.000 0.921 317 F CB 1.812 40.360 39.000 -0.754 0.000 1.232 317 F HN 0.358 nan 8.300 nan 0.000 0.459 318 E N 1.367 121.596 120.200 0.049 0.000 2.360 318 E HA 0.482 4.831 4.350 -0.000 0.000 0.269 318 E C -0.526 176.173 176.600 0.163 0.000 1.022 318 E CA -0.491 55.959 56.400 0.083 0.000 0.887 318 E CB 1.133 30.880 29.700 0.078 0.000 0.990 318 E HN 0.614 nan 8.360 nan 0.000 0.426 319 A N 3.034 125.999 122.820 0.242 0.000 2.331 319 A HA 0.116 4.436 4.320 -0.000 0.000 0.283 319 A C 0.603 178.324 177.584 0.229 0.000 1.142 319 A CA -0.331 51.943 52.037 0.394 0.000 0.812 319 A CB 0.517 19.821 19.000 0.508 0.000 1.074 319 A HN 0.667 nan 8.150 nan 0.000 0.497 320 K N 0.310 120.811 120.400 0.168 0.000 2.486 320 K HA 0.010 4.330 4.320 -0.000 0.000 0.194 320 K C 0.398 176.948 176.600 -0.082 0.000 1.033 320 K CA 0.923 57.217 56.287 0.012 0.000 1.004 320 K CB 0.088 32.554 32.500 -0.058 0.000 0.798 320 K HN 0.771 nan 8.250 nan 0.000 0.495 321 Q N -0.610 119.155 119.800 -0.058 0.000 2.462 321 Q HA 0.277 4.617 4.340 -0.000 0.000 0.285 321 Q C -2.800 173.277 176.000 0.128 0.000 1.035 321 Q CA -2.337 53.387 55.803 -0.132 0.000 0.799 321 Q CB 2.535 30.886 28.738 -0.645 0.000 1.452 321 Q HN -0.186 nan 8.270 nan 0.000 0.404 322 P HA 0.023 nan 4.420 nan 0.000 0.265 322 P C -0.621 176.858 177.300 0.299 0.000 1.222 322 P CA 0.281 63.492 63.100 0.186 0.000 0.767 322 P CB 0.335 32.110 31.700 0.124 0.000 0.801 323 M N 2.563 122.340 119.600 0.294 0.000 2.167 323 M HA 0.062 4.542 4.480 -0.000 0.000 0.300 323 M C 0.444 176.874 176.300 0.216 0.000 1.171 323 M CA -0.528 54.944 55.300 0.287 0.000 1.171 323 M CB -0.133 32.621 32.600 0.256 0.000 1.396 323 M HN 0.080 nan 8.290 nan 0.000 0.466 324 V N 0.636 120.654 119.914 0.173 0.000 2.617 324 V HA 0.183 4.303 4.120 -0.000 0.000 0.304 324 V C 1.059 177.282 176.094 0.216 0.000 1.040 324 V CA -0.050 62.334 62.300 0.141 0.000 1.149 324 V CB -0.800 31.062 31.823 0.066 0.000 0.914 324 V HN 0.937 nan 8.190 nan 0.000 0.487 325 A N 2.875 125.806 122.820 0.185 0.000 2.345 325 A HA 0.394 4.713 4.320 -0.000 0.000 0.225 325 A C 0.638 178.391 177.584 0.282 0.000 1.243 325 A CA -0.023 52.157 52.037 0.237 0.000 0.875 325 A CB -0.311 18.780 19.000 0.152 0.000 0.929 325 A HN 0.952 nan 8.150 nan 0.000 0.502 326 E N -1.333 118.943 120.200 0.127 0.000 2.366 326 E HA 0.584 4.934 4.350 -0.000 0.000 0.278 326 E C -1.069 175.299 176.600 -0.386 0.000 0.923 326 E CA -0.405 55.958 56.400 -0.062 0.000 0.761 326 E CB 2.077 31.759 29.700 -0.029 0.000 1.231 326 E HN 0.151 nan 8.360 nan 0.000 0.443 327 S N -0.525 114.786 115.700 -0.648 0.000 2.636 327 S HA 0.274 4.744 4.470 -0.000 0.000 0.268 327 S C 0.345 174.626 174.600 -0.531 0.000 1.159 327 S CA 0.112 57.870 58.200 -0.738 0.000 0.815 327 S CB 0.968 63.335 63.200 -1.389 0.000 1.130 327 S HN 0.613 nan 8.310 nan 0.000 0.471 328 T N -0.091 114.251 114.554 -0.354 0.000 2.978 328 T HA 0.139 4.489 4.350 -0.000 0.000 0.262 328 T C 0.767 175.399 174.700 -0.112 0.000 1.063 328 T CA 1.492 63.488 62.100 -0.172 0.000 1.140 328 T CB -0.340 68.492 68.868 -0.059 0.000 0.886 328 T HN 0.831 nan 8.240 nan 0.000 0.470 329 Q N -2.065 117.635 119.800 -0.168 0.000 1.610 329 Q HA 0.252 4.591 4.340 -0.000 0.000 0.155 329 Q C 0.112 176.404 176.000 0.486 0.000 0.795 329 Q CA -0.647 55.307 55.803 0.251 0.000 0.754 329 Q CB -1.573 27.396 28.738 0.385 0.000 1.223 329 Q HN 0.485 nan 8.270 nan 0.000 0.356 330 W N -1.868 119.556 121.300 0.206 0.000 1.848 330 W HA -0.247 4.413 4.660 -0.000 0.000 0.244 330 W C -0.605 175.699 176.519 -0.359 0.000 0.982 330 W CA 1.055 58.358 57.345 -0.070 0.000 0.441 330 W CB -1.755 27.654 29.460 -0.083 0.000 1.988 330 W HN 0.427 nan 8.180 nan 0.000 1.381 331 W N 1.355 122.848 121.300 0.321 0.000 2.433 331 W HA 0.529 5.189 4.660 -0.000 0.000 0.288 331 W C 0.918 177.681 176.519 0.407 0.000 0.986 331 W CA -0.564 56.957 57.345 0.293 0.000 1.680 331 W CB 0.097 29.732 29.460 0.291 0.000 1.615 331 W HN -0.122 nan 8.180 nan 0.000 0.416 332 E N 1.074 121.529 120.200 0.425 0.000 2.413 332 E HA 0.223 4.573 4.350 -0.000 0.000 0.203 332 E C 0.326 177.034 176.600 0.179 0.000 0.957 332 E CA 0.315 56.971 56.400 0.426 0.000 0.950 332 E CB 1.167 31.084 29.700 0.361 0.000 0.957 332 E HN 0.288 nan 8.360 nan 0.000 0.497 333 I N 0.458 121.028 120.570 0.001 0.000 2.569 333 I HA 0.414 4.584 4.170 -0.000 0.000 0.296 333 I C -0.032 175.736 176.117 -0.581 0.000 1.028 333 I CA -0.832 60.173 61.300 -0.491 0.000 1.082 333 I CB 2.244 39.986 38.000 -0.430 0.000 1.264 333 I HN -0.130 nan 8.210 nan 0.000 0.429 334 G N 5.845 113.994 108.800 -1.085 0.000 2.571 334 G HA2 0.823 4.783 3.960 -0.000 0.000 0.304 334 G HA3 0.823 4.783 3.960 -0.000 0.000 0.304 334 G C -1.248 173.366 174.900 -0.477 0.000 1.314 334 G CA -0.409 44.302 45.100 -0.649 0.000 0.975 334 G HN 0.445 nan 8.290 nan 0.000 0.485 335 I N 0.806 121.055 120.570 -0.536 0.000 2.512 335 I HA 0.376 4.546 4.170 -0.000 0.000 0.287 335 I C -1.230 174.607 176.117 -0.466 0.000 1.069 335 I CA -0.528 60.570 61.300 -0.338 0.000 1.056 335 I CB 2.131 40.038 38.000 -0.155 0.000 1.229 335 I HN 0.274 nan 8.210 nan 0.000 0.429 336 F N 3.412 123.399 119.950 0.062 0.000 2.469 336 F HA 0.700 5.227 4.527 -0.000 0.000 0.332 336 F C 0.456 176.283 175.800 0.044 0.000 1.103 336 F CA -0.692 57.331 58.000 0.040 0.000 0.979 336 F CB 2.179 41.200 39.000 0.035 0.000 1.137 336 F HN 0.252 nan 8.300 nan 0.000 0.463 337 T N 3.326 118.016 114.554 0.226 0.000 2.932 337 T HA 0.512 4.862 4.350 -0.000 0.000 0.318 337 T C -3.073 171.702 174.700 0.125 0.000 1.265 337 T CA -1.808 60.380 62.100 0.147 0.000 1.036 337 T CB 2.038 70.964 68.868 0.096 0.000 1.209 337 T HN 0.238 nan 8.240 nan 0.000 0.484 338 P HA 0.320 nan 4.420 nan 0.000 0.292 338 P C 0.524 177.868 177.300 0.073 0.000 1.283 338 P CA -0.378 62.773 63.100 0.086 0.000 0.835 338 P CB 1.059 32.800 31.700 0.068 0.000 1.017 339 T N -1.816 112.783 114.554 0.075 0.000 3.081 339 T HA 0.207 4.557 4.350 -0.000 0.000 0.250 339 T C 0.328 175.062 174.700 0.057 0.000 1.100 339 T CA 0.359 62.496 62.100 0.061 0.000 1.038 339 T CB -0.082 68.820 68.868 0.056 0.000 0.962 339 T HN 0.388 nan 8.240 nan 0.000 0.516 340 E N 0.683 120.919 120.200 0.061 0.000 2.416 340 E HA 0.388 4.737 4.350 -0.000 0.000 0.273 340 E C -1.341 175.285 176.600 0.044 0.000 0.935 340 E CA -1.044 55.388 56.400 0.053 0.000 0.784 340 E CB 1.543 31.280 29.700 0.062 0.000 1.301 340 E HN 0.133 nan 8.360 nan 0.000 0.454 341 D N -0.428 119.993 120.400 0.035 0.000 2.360 341 D HA 0.274 4.914 4.640 -0.000 0.000 0.242 341 D C 1.013 177.327 176.300 0.024 0.000 1.184 341 D CA 1.018 55.035 54.000 0.027 0.000 0.930 341 D CB 0.964 41.777 40.800 0.022 0.000 1.161 341 D HN 0.741 nan 8.370 nan 0.000 0.447 342 G N -0.208 108.602 108.800 0.017 0.000 2.159 342 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.256 342 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.256 342 G C 0.170 175.074 174.900 0.007 0.000 0.977 342 G CA -0.017 45.089 45.100 0.010 0.000 0.652 342 G HN 0.369 nan 8.290 nan 0.000 0.531 343 L N 0.944 122.174 121.223 0.012 0.000 2.375 343 L HA 0.476 4.816 4.340 -0.000 0.000 0.271 343 L C 1.276 178.145 176.870 -0.002 0.000 1.107 343 L CA -0.181 54.663 54.840 0.007 0.000 0.806 343 L CB 0.998 43.071 42.059 0.023 0.000 1.146 343 L HN 0.280 nan 8.230 nan 0.000 0.447 344 D N 0.441 120.832 120.400 -0.016 0.000 2.398 344 D HA 0.066 4.706 4.640 -0.000 0.000 0.210 344 D C 0.397 176.681 176.300 -0.026 0.000 1.094 344 D CA -0.002 53.986 54.000 -0.021 0.000 0.839 344 D CB 0.529 41.313 40.800 -0.027 0.000 0.963 344 D HN 0.319 nan 8.370 nan 0.000 0.506 345 R N 0.445 120.931 120.500 -0.024 0.000 2.725 345 R HA 0.461 4.800 4.340 -0.000 0.000 0.277 345 R C -2.766 173.548 176.300 0.023 0.000 0.987 345 R CA -1.803 54.287 56.100 -0.017 0.000 0.901 345 R CB 2.490 32.782 30.300 -0.014 0.000 1.207 345 R HN -0.078 nan 8.270 nan 0.000 0.463 346 P HA 0.024 nan 4.420 nan 0.000 0.271 346 P C -0.601 176.800 177.300 0.168 0.000 1.220 346 P CA -0.037 63.128 63.100 0.108 0.000 0.768 346 P CB 0.752 32.549 31.700 0.162 0.000 0.848 347 D N 2.010 122.511 120.400 0.169 0.000 2.328 347 D HA 0.115 4.755 4.640 -0.000 0.000 0.221 347 D C 0.124 176.533 176.300 0.182 0.000 1.072 347 D CA 0.038 54.168 54.000 0.216 0.000 0.850 347 D CB -0.203 40.736 40.800 0.232 0.000 0.922 347 D HN 0.149 nan 8.370 nan 0.000 0.516 348 L N -0.107 121.215 121.223 0.165 0.000 2.455 348 L HA 0.616 4.956 4.340 -0.000 0.000 0.264 348 L C -1.757 175.198 176.870 0.142 0.000 0.968 348 L CA -0.804 54.114 54.840 0.131 0.000 0.827 348 L CB 2.285 44.406 42.059 0.103 0.000 1.317 348 L HN 0.024 nan 8.230 nan 0.000 0.407 349 M N 4.724 124.364 119.600 0.067 0.000 2.550 349 M HA 0.716 5.196 4.480 -0.000 0.000 0.292 349 M C -1.896 174.375 176.300 -0.048 0.000 1.221 349 M CA -0.430 54.823 55.300 -0.077 0.000 0.873 349 M CB 2.320 34.856 32.600 -0.108 0.000 1.727 349 M HN 0.740 nan 8.290 nan 0.000 0.459 350 M N 1.967 121.494 119.600 -0.121 0.000 2.518 350 M HA 0.448 4.928 4.480 -0.000 0.000 0.300 350 M C -1.534 174.777 176.300 0.018 0.000 1.175 350 M CA -0.685 54.644 55.300 0.048 0.000 0.890 350 M CB 2.446 35.103 32.600 0.096 0.000 1.710 350 M HN 0.668 nan 8.290 nan 0.000 0.453 351 H N 0.049 119.252 119.070 0.220 0.000 2.496 351 H HA 0.492 5.048 4.556 -0.000 0.000 0.342 351 H C -1.583 174.010 175.328 0.440 0.000 1.170 351 H CA -0.154 56.132 56.048 0.396 0.000 1.274 351 H CB 1.129 31.189 29.762 0.497 0.000 1.538 351 H HN 0.557 nan 8.280 nan 0.000 0.542 352 Y N 0.372 120.889 120.300 0.361 0.000 2.364 352 Y HA 0.608 5.158 4.550 -0.000 0.000 0.340 352 Y C -0.425 175.494 175.900 0.032 0.000 0.975 352 Y CA -1.043 57.164 58.100 0.180 0.000 1.089 352 Y CB 1.235 39.673 38.460 -0.036 0.000 1.192 352 Y HN 0.723 nan 8.280 nan 0.000 0.454 353 G N 2.002 110.236 108.800 -0.944 0.000 2.461 353 G HA2 0.410 4.370 3.960 -0.000 0.000 0.323 353 G HA3 0.410 4.370 3.960 -0.000 0.000 0.323 353 G C -0.793 173.437 174.900 -1.117 0.000 1.229 353 G CA -0.845 43.282 45.100 -1.622 0.000 0.941 353 G HN 0.868 nan 8.290 nan 0.000 0.477 354 S N -0.393 114.820 115.700 -0.811 0.000 2.699 354 S HA 0.419 4.889 4.470 -0.000 0.000 0.251 354 S C 0.201 174.782 174.600 -0.032 0.000 1.179 354 S CA -0.099 57.942 58.200 -0.265 0.000 1.200 354 S CB -0.608 62.543 63.200 -0.081 0.000 0.848 354 S HN 1.511 nan 8.310 nan 0.000 0.472 355 V N -3.533 116.308 119.914 -0.121 0.000 3.077 355 V HA 0.684 4.804 4.120 -0.000 0.000 0.299 355 V C -3.080 173.030 176.094 0.026 0.000 1.276 355 V CA -2.519 59.751 62.300 -0.050 0.000 0.993 355 V CB 1.751 33.492 31.823 -0.137 0.000 1.076 355 V HN 0.069 nan 8.190 nan 0.000 0.434 356 P HA 0.255 nan 4.420 nan 0.000 0.271 356 P C -1.086 176.390 177.300 0.294 0.000 1.244 356 P CA 0.224 63.406 63.100 0.136 0.000 0.793 356 P CB 0.584 32.330 31.700 0.076 0.000 0.984 357 F N 1.531 121.552 119.950 0.119 0.000 3.094 357 F HA 0.203 4.730 4.527 -0.000 0.000 0.385 357 F C -0.187 175.672 175.800 0.097 0.000 1.231 357 F CA -0.900 57.202 58.000 0.170 0.000 1.207 357 F CB 0.186 39.396 39.000 0.350 0.000 1.703 357 F HN 0.097 nan 8.300 nan 0.000 0.610 358 D N 2.977 123.269 120.400 -0.180 0.000 2.342 358 D HA -0.013 4.627 4.640 -0.000 0.000 0.221 358 D C 2.042 178.171 176.300 -0.284 0.000 1.101 358 D CA 0.111 54.007 54.000 -0.173 0.000 0.837 358 D CB -0.150 40.611 40.800 -0.065 0.000 0.938 358 D HN 0.580 nan 8.370 nan 0.000 0.508 359 M N 0.447 119.721 119.600 -0.543 0.000 2.116 359 M HA -0.219 4.261 4.480 -0.000 0.000 0.255 359 M C 0.439 176.577 176.300 -0.270 0.000 1.075 359 M CA 1.590 56.630 55.300 -0.433 0.000 1.087 359 M CB 0.029 32.261 32.600 -0.613 0.000 1.340 359 M HN 0.007 nan 8.290 nan 0.000 0.402 360 N N -1.339 117.202 118.700 -0.265 0.000 2.184 360 N HA 0.058 4.797 4.740 -0.000 0.000 0.206 360 N C 1.217 176.700 175.510 -0.045 0.000 1.151 360 N CA 1.073 54.036 53.050 -0.145 0.000 0.878 360 N CB 0.616 39.016 38.487 -0.145 0.000 1.014 360 N HN 0.543 nan 8.380 nan 0.000 0.512 361 T N -1.827 112.706 114.554 -0.036 0.000 3.034 361 T HA 0.084 4.434 4.350 -0.000 0.000 0.248 361 T C 1.911 176.706 174.700 0.158 0.000 1.040 361 T CA -0.074 62.105 62.100 0.133 0.000 1.107 361 T CB -0.107 68.799 68.868 0.064 0.000 0.932 361 T HN -0.120 nan 8.240 nan 0.000 0.474 362 L N 3.042 124.270 121.223 0.008 0.000 1.997 362 L HA -0.104 4.236 4.340 -0.000 0.000 0.216 362 L C 2.721 179.536 176.870 -0.093 0.000 1.074 362 L CA 2.264 57.085 54.840 -0.031 0.000 0.763 362 L CB -0.643 41.371 42.059 -0.075 0.000 0.890 362 L HN 0.490 nan 8.230 nan 0.000 0.434 363 R N -2.191 118.180 120.500 -0.215 0.000 2.357 363 R HA -0.113 4.227 4.340 -0.000 0.000 0.202 363 R C 1.043 177.061 176.300 -0.470 0.000 1.047 363 R CA 1.297 57.158 56.100 -0.398 0.000 1.034 363 R CB -0.657 29.247 30.300 -0.660 0.000 0.875 363 R HN 0.529 nan 8.270 nan 0.000 0.473 364 H N -0.382 118.646 119.070 -0.070 0.000 2.755 364 H HA 0.217 4.773 4.556 -0.000 0.000 0.273 364 H C 0.822 176.041 175.328 -0.182 0.000 1.055 364 H CA 0.537 56.545 56.048 -0.067 0.000 1.191 364 H CB 1.512 31.325 29.762 0.085 0.000 1.536 364 H HN 0.528 nan 8.280 nan 0.000 0.529 365 G N 0.826 109.600 108.800 -0.042 0.000 2.131 365 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.201 365 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.201 365 G C -0.531 174.279 174.900 -0.151 0.000 1.000 365 G CA -0.467 44.562 45.100 -0.118 0.000 0.680 365 G HN 0.284 nan 8.290 nan 0.000 0.514 366 Y N 0.790 121.103 120.300 0.022 0.000 2.319 366 Y HA 0.449 4.999 4.550 -0.000 0.000 0.328 366 Y C -1.179 174.716 175.900 -0.009 0.000 1.133 366 Y CA -1.788 56.320 58.100 0.014 0.000 1.265 366 Y CB 0.578 39.064 38.460 0.043 0.000 1.218 366 Y HN 0.028 nan 8.280 nan 0.000 0.508 367 P HA -0.037 nan 4.420 nan 0.000 0.269 367 P C -0.437 176.898 177.300 0.059 0.000 1.205 367 P CA 0.225 63.361 63.100 0.059 0.000 0.780 367 P CB 0.411 32.136 31.700 0.042 0.000 0.858 368 T N -2.139 112.433 114.554 0.030 0.000 2.907 368 T HA 0.759 5.109 4.350 -0.000 0.000 0.290 368 T C -0.500 174.210 174.700 0.016 0.000 1.066 368 T CA -0.739 61.374 62.100 0.022 0.000 1.012 368 T CB 1.979 70.853 68.868 0.010 0.000 1.184 368 T HN 0.505 nan 8.240 nan 0.000 0.522 369 T N -1.167 113.397 114.554 0.016 0.000 2.821 369 T HA 0.406 4.756 4.350 -0.000 0.000 0.306 369 T C -0.291 174.421 174.700 0.019 0.000 1.313 369 T CA -0.461 61.651 62.100 0.021 0.000 1.012 369 T CB 2.187 71.074 68.868 0.032 0.000 1.298 369 T HN 0.851 nan 8.240 nan 0.000 0.502 370 E N 1.306 121.519 120.200 0.022 0.000 2.474 370 E HA 0.240 4.590 4.350 -0.000 0.000 0.195 370 E C -0.036 176.586 176.600 0.037 0.000 1.039 370 E CA 0.078 56.488 56.400 0.016 0.000 0.881 370 E CB 0.240 29.946 29.700 0.010 0.000 0.970 370 E HN 0.448 nan 8.360 nan 0.000 0.486 371 N N -0.392 118.344 118.700 0.062 0.000 2.621 371 N HA 0.430 5.170 4.740 -0.000 0.000 0.271 371 N C -1.042 174.554 175.510 0.142 0.000 1.181 371 N CA 0.006 53.119 53.050 0.105 0.000 0.805 371 N CB 1.502 40.054 38.487 0.108 0.000 1.351 371 N HN 0.143 nan 8.380 nan 0.000 0.539 372 G N 0.853 109.759 108.800 0.176 0.000 2.340 372 G HA2 0.505 4.465 3.960 -0.000 0.000 0.299 372 G HA3 0.505 4.465 3.960 -0.000 0.000 0.299 372 G C -1.982 173.079 174.900 0.268 0.000 1.291 372 G CA -0.642 44.577 45.100 0.197 0.000 0.841 372 G HN 0.461 nan 8.290 nan 0.000 0.500 373 F N -1.082 118.975 119.950 0.178 0.000 2.668 373 F HA 0.884 5.411 4.527 -0.000 0.000 0.309 373 F C -0.581 175.343 175.800 0.207 0.000 1.117 373 F CA -1.316 56.756 58.000 0.120 0.000 0.951 373 F CB 1.721 40.850 39.000 0.216 0.000 1.323 373 F HN 0.596 nan 8.300 nan 0.000 0.451 374 S N 2.037 117.932 115.700 0.325 0.000 2.536 374 S HA 0.787 5.257 4.470 -0.000 0.000 0.287 374 S C -1.243 173.641 174.600 0.473 0.000 1.101 374 S CA -0.764 57.645 58.200 0.348 0.000 0.950 374 S CB 1.859 65.276 63.200 0.362 0.000 1.056 374 S HN 0.715 nan 8.310 nan 0.000 0.481 375 L N 2.340 123.852 121.223 0.482 0.000 2.307 375 L HA 0.601 4.941 4.340 -0.000 0.000 0.284 375 L C 0.118 177.218 176.870 0.382 0.000 1.023 375 L CA -0.548 54.561 54.840 0.449 0.000 0.810 375 L CB 1.768 44.067 42.059 0.400 0.000 1.231 375 L HN 0.846 nan 8.230 nan 0.000 0.423 376 T N 0.027 114.811 114.554 0.383 0.000 3.154 376 T HA 0.396 4.746 4.350 -0.000 0.000 0.381 376 T C -2.545 172.290 174.700 0.224 0.000 1.368 376 T CA -2.108 60.162 62.100 0.284 0.000 1.155 376 T CB 0.495 69.482 68.868 0.198 0.000 1.120 376 T HN 0.199 nan 8.240 nan 0.000 0.570 377 P HA 0.223 nan 4.420 nan 0.000 0.271 377 P C -0.688 176.690 177.300 0.131 0.000 1.216 377 P CA -0.144 63.043 63.100 0.146 0.000 0.771 377 P CB 0.660 32.442 31.700 0.137 0.000 0.864 378 N N 0.746 119.509 118.700 0.105 0.000 2.405 378 N HA 0.407 5.147 4.740 -0.000 0.000 0.285 378 N C -1.511 174.047 175.510 0.079 0.000 1.262 378 N CA -1.094 52.006 53.050 0.085 0.000 0.773 378 N CB 1.137 39.659 38.487 0.059 0.000 1.490 378 N HN -0.024 nan 8.380 nan 0.000 0.486 379 V N 1.686 121.656 119.914 0.094 0.000 2.288 379 V HA 0.181 4.301 4.120 -0.000 0.000 0.266 379 V C 1.485 177.679 176.094 0.166 0.000 1.048 379 V CA -0.180 62.198 62.300 0.130 0.000 0.842 379 V CB -0.291 31.610 31.823 0.130 0.000 1.064 379 V HN 1.026 nan 8.190 nan 0.000 0.472 380 T N 0.257 114.881 114.554 0.118 0.000 2.721 380 T HA -0.234 4.116 4.350 -0.000 0.000 0.268 380 T C 0.800 175.505 174.700 0.008 0.000 1.038 380 T CA 1.418 63.528 62.100 0.015 0.000 1.145 380 T CB -0.263 68.666 68.868 0.101 0.000 0.858 380 T HN 0.684 nan 8.240 nan 0.000 0.459 381 H N 1.247 120.448 119.070 0.218 0.000 2.379 381 H HA 0.670 5.225 4.556 -0.000 0.000 0.229 381 H C 0.232 175.667 175.328 0.178 0.000 1.423 381 H CA -0.680 55.479 56.048 0.185 0.000 1.375 381 H CB 0.223 30.070 29.762 0.141 0.000 1.592 381 H HN 0.500 nan 8.280 nan 0.000 0.507 382 A N 1.201 124.157 122.820 0.226 0.000 2.448 382 A HA 0.133 4.453 4.320 -0.000 0.000 0.239 382 A C 1.139 178.799 177.584 0.127 0.000 1.080 382 A CA 0.008 52.165 52.037 0.200 0.000 0.779 382 A CB 0.557 19.620 19.000 0.104 0.000 1.026 382 A HN 0.716 nan 8.150 nan 0.000 0.499 383 R N 0.312 120.878 120.500 0.110 0.000 2.404 383 R HA 0.141 4.481 4.340 -0.000 0.000 0.237 383 R C -0.007 176.317 176.300 0.041 0.000 0.907 383 R CA 0.067 56.195 56.100 0.047 0.000 1.063 383 R CB 0.408 30.704 30.300 -0.007 0.000 1.134 383 R HN 0.601 nan 8.270 nan 0.000 0.529 384 S N 1.769 117.490 115.700 0.034 0.000 2.549 384 S HA 0.239 4.709 4.470 -0.000 0.000 0.279 384 S C 0.025 174.603 174.600 -0.035 0.000 1.321 384 S CA -0.134 58.062 58.200 -0.006 0.000 1.054 384 S CB 0.724 63.898 63.200 -0.043 0.000 0.899 384 S HN 0.083 nan 8.310 nan 0.000 0.497 385 R N 1.521 121.993 120.500 -0.046 0.000 2.562 385 R HA 0.688 5.028 4.340 -0.000 0.000 0.298 385 R C 0.446 176.677 176.300 -0.116 0.000 0.961 385 R CA -0.595 55.466 56.100 -0.065 0.000 0.881 385 R CB 1.420 31.708 30.300 -0.020 0.000 1.159 385 R HN 0.755 nan 8.270 nan 0.000 0.450 386 G N -0.106 108.598 108.800 -0.160 0.000 3.209 386 G HA2 0.654 4.614 3.960 -0.000 0.000 0.236 386 G HA3 0.654 4.614 3.960 -0.000 0.000 0.236 386 G C -0.862 173.922 174.900 -0.194 0.000 1.329 386 G CA -0.340 44.643 45.100 -0.195 0.000 1.015 386 G HN 0.560 nan 8.290 nan 0.000 0.571 387 T N -3.658 110.771 114.554 -0.208 0.000 2.864 387 T HA 0.647 4.997 4.350 -0.000 0.000 0.299 387 T C -1.372 173.195 174.700 -0.222 0.000 1.166 387 T CA -0.656 61.312 62.100 -0.220 0.000 1.007 387 T CB 1.783 70.516 68.868 -0.225 0.000 1.219 387 T HN 0.623 nan 8.240 nan 0.000 0.506 388 V N 1.891 121.669 119.914 -0.226 0.000 2.487 388 V HA 0.668 4.788 4.120 -0.000 0.000 0.298 388 V C -0.169 175.800 176.094 -0.208 0.000 1.028 388 V CA -0.790 61.378 62.300 -0.219 0.000 0.860 388 V CB 1.438 33.127 31.823 -0.223 0.000 0.991 388 V HN 0.853 nan 8.190 nan 0.000 0.427 389 R N 3.840 124.238 120.500 -0.169 0.000 2.837 389 R HA 0.624 4.964 4.340 -0.000 0.000 0.271 389 R C -1.200 175.113 176.300 0.022 0.000 0.993 389 R CA -1.046 54.994 56.100 -0.101 0.000 0.931 389 R CB 2.372 32.581 30.300 -0.152 0.000 1.206 389 R HN 0.494 nan 8.270 nan 0.000 0.474 390 L N 2.098 123.444 121.223 0.205 0.000 2.453 390 L HA 0.137 4.477 4.340 -0.000 0.000 0.272 390 L C 1.824 178.558 176.870 -0.227 0.000 1.182 390 L CA 0.289 55.087 54.840 -0.069 0.000 0.858 390 L CB 0.454 42.391 42.059 -0.204 0.000 1.120 390 L HN 0.577 nan 8.230 nan 0.000 0.474 391 R N 1.161 121.519 120.500 -0.237 0.000 2.153 391 R HA -0.022 4.318 4.340 -0.000 0.000 0.218 391 R C 0.356 176.425 176.300 -0.385 0.000 1.072 391 R CA 0.903 56.879 56.100 -0.207 0.000 0.990 391 R CB 0.372 30.607 30.300 -0.108 0.000 0.889 391 R HN 0.886 nan 8.270 nan 0.000 0.452 392 S N -2.104 113.255 115.700 -0.568 0.000 2.660 392 S HA 0.051 4.521 4.470 -0.000 0.000 0.264 392 S C -0.243 174.173 174.600 -0.307 0.000 1.131 392 S CA -0.925 57.005 58.200 -0.449 0.000 0.846 392 S CB 0.348 63.458 63.200 -0.151 0.000 1.151 392 S HN 0.305 nan 8.310 nan 0.000 0.486 393 R N 0.133 120.566 120.500 -0.111 0.000 2.328 393 R HA 0.227 4.567 4.340 -0.000 0.000 0.200 393 R C -0.394 175.903 176.300 -0.006 0.000 0.983 393 R CA 0.354 56.431 56.100 -0.039 0.000 1.062 393 R CB -0.587 29.720 30.300 0.012 0.000 0.956 393 R HN 0.509 nan 8.270 nan 0.000 0.479 394 D N 1.044 121.421 120.400 -0.038 0.000 2.349 394 D HA 0.013 4.653 4.640 -0.000 0.000 0.232 394 D C 0.692 176.968 176.300 -0.040 0.000 1.071 394 D CA -1.224 52.760 54.000 -0.027 0.000 0.832 394 D CB 0.769 41.512 40.800 -0.095 0.000 1.086 394 D HN 0.180 nan 8.370 nan 0.000 0.504 395 F N 3.077 122.996 119.950 -0.052 0.000 2.408 395 F HA 0.029 4.556 4.527 -0.000 0.000 0.300 395 F C 1.277 177.081 175.800 0.006 0.000 1.090 395 F CA 0.460 58.440 58.000 -0.033 0.000 1.427 395 F CB -0.154 38.831 39.000 -0.024 0.000 1.070 395 F HN 0.191 nan 8.300 nan 0.000 0.549 396 R N 0.121 120.216 120.500 -0.675 0.000 2.310 396 R HA 0.064 4.404 4.340 -0.000 0.000 0.202 396 R C -0.464 175.761 176.300 -0.126 0.000 0.933 396 R CA 0.172 56.033 56.100 -0.398 0.000 1.054 396 R CB -0.471 29.544 30.300 -0.476 0.000 0.985 396 R HN 0.146 nan 8.270 nan 0.000 0.489 397 D N 2.454 122.781 120.400 -0.121 0.000 2.336 397 D HA 0.058 4.698 4.640 -0.000 0.000 0.249 397 D C -0.267 176.027 176.300 -0.009 0.000 1.213 397 D CA 0.067 54.034 54.000 -0.055 0.000 0.870 397 D CB 0.674 41.423 40.800 -0.085 0.000 1.076 397 D HN -0.034 nan 8.370 nan 0.000 0.483 398 K N 3.911 124.346 120.400 0.059 0.000 2.561 398 K HA 0.007 4.327 4.320 -0.000 0.000 0.280 398 K C -2.024 174.543 176.600 -0.056 0.000 0.975 398 K CA -0.681 55.660 56.287 0.089 0.000 1.024 398 K CB 0.027 32.662 32.500 0.224 0.000 0.883 398 K HN 0.288 nan 8.250 nan 0.000 0.496 399 P HA -0.002 nan 4.420 nan 0.000 0.272 399 P C -0.628 176.570 177.300 -0.170 0.000 1.240 399 P CA 0.044 63.014 63.100 -0.216 0.000 0.791 399 P CB 0.537 32.030 31.700 -0.345 0.000 0.978 400 M N 0.983 120.505 119.600 -0.129 0.000 2.084 400 M HA 0.222 4.702 4.480 -0.000 0.000 0.351 400 M C -0.514 175.697 176.300 -0.148 0.000 1.240 400 M CA -0.482 54.756 55.300 -0.103 0.000 1.083 400 M CB 0.800 33.367 32.600 -0.055 0.000 1.593 400 M HN -0.006 nan 8.290 nan 0.000 0.463 401 V N 2.730 122.553 119.914 -0.151 0.000 2.333 401 V HA 0.287 4.407 4.120 -0.000 0.000 0.274 401 V C -0.582 175.412 176.094 -0.167 0.000 1.028 401 V CA -0.410 61.770 62.300 -0.200 0.000 0.851 401 V CB 1.243 32.925 31.823 -0.235 0.000 1.000 401 V HN 0.671 nan 8.190 nan 0.000 0.456 402 D N 6.657 126.940 120.400 -0.194 0.000 2.378 402 D HA 0.409 5.049 4.640 -0.000 0.000 0.265 402 D C -2.071 174.073 176.300 -0.260 0.000 1.229 402 D CA -1.825 52.065 54.000 -0.183 0.000 0.914 402 D CB 2.465 43.186 40.800 -0.132 0.000 1.140 402 D HN 0.184 nan 8.370 nan 0.000 0.516 403 P HA 0.023 nan 4.420 nan 0.000 0.225 403 P C -0.449 176.533 177.300 -0.530 0.000 1.156 403 P CA 0.285 63.030 63.100 -0.593 0.000 0.787 403 P CB 0.222 31.201 31.700 -1.202 0.000 0.802 404 R N -2.611 117.660 120.500 -0.382 0.000 3.201 404 R HA -0.181 4.158 4.340 -0.000 0.000 0.254 404 R C -0.678 175.533 176.300 -0.149 0.000 0.978 404 R CA -0.020 55.971 56.100 -0.182 0.000 0.661 404 R CB -3.059 27.168 30.300 -0.123 0.000 1.170 404 R HN 0.317 nan 8.270 nan 0.000 0.430 405 Y N 0.757 121.058 120.300 0.001 0.000 2.683 405 Y HA -0.047 4.503 4.550 -0.000 0.000 0.340 405 Y C 1.434 177.337 175.900 0.004 0.000 1.245 405 Y CA 0.437 58.454 58.100 -0.140 0.000 1.485 405 Y CB 0.211 38.569 38.460 -0.170 0.000 1.328 405 Y HN 0.212 nan 8.280 nan 0.000 0.603 406 F N 0.292 120.326 119.950 0.141 0.000 2.943 406 F HA -0.281 4.246 4.527 -0.000 0.000 0.258 406 F C 0.997 176.837 175.800 0.067 0.000 0.995 406 F CA 1.043 59.087 58.000 0.075 0.000 0.896 406 F CB -2.080 36.935 39.000 0.024 0.000 0.821 406 F HN 0.615 nan 8.300 nan 0.000 0.828 407 T N -4.198 110.446 114.554 0.149 0.000 3.040 407 T HA 0.069 4.419 4.350 -0.000 0.000 0.266 407 T C 0.396 175.146 174.700 0.083 0.000 1.005 407 T CA 0.074 62.238 62.100 0.105 0.000 0.906 407 T CB 0.043 68.946 68.868 0.060 0.000 1.082 407 T HN 0.527 nan 8.240 nan 0.000 0.531 408 D N 2.979 123.435 120.400 0.094 0.000 2.493 408 D HA 0.015 4.655 4.640 -0.000 0.000 0.240 408 D C -1.357 174.999 176.300 0.093 0.000 1.142 408 D CA -1.023 53.029 54.000 0.087 0.000 0.872 408 D CB 1.423 42.288 40.800 0.109 0.000 1.173 408 D HN 0.063 nan 8.370 nan 0.000 0.467 409 P HA -0.216 nan 4.420 nan 0.000 0.216 409 P C 0.791 178.136 177.300 0.074 0.000 1.154 409 P CA 1.399 64.537 63.100 0.062 0.000 0.865 409 P CB 0.145 31.872 31.700 0.047 0.000 0.789 410 E N -1.316 118.937 120.200 0.088 0.000 2.482 410 E HA 0.164 4.514 4.350 -0.000 0.000 0.196 410 E C 1.241 177.914 176.600 0.122 0.000 1.047 410 E CA 0.449 56.908 56.400 0.099 0.000 0.869 410 E CB -0.567 29.196 29.700 0.104 0.000 0.836 410 E HN 0.264 nan 8.360 nan 0.000 0.520 411 G N 1.547 110.428 108.800 0.136 0.000 2.176 411 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.252 411 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.252 411 G C 0.472 175.470 174.900 0.163 0.000 1.024 411 G CA 0.910 46.093 45.100 0.137 0.000 0.755 411 G HN 0.571 nan 8.290 nan 0.000 0.507 412 H N 0.155 119.288 119.070 0.104 0.000 2.276 412 H HA -0.020 4.535 4.556 -0.000 0.000 0.301 412 H C 2.286 177.701 175.328 0.144 0.000 1.073 412 H CA 2.256 58.369 56.048 0.108 0.000 1.311 412 H CB 0.033 29.851 29.762 0.094 0.000 1.379 412 H HN 0.320 nan 8.280 nan 0.000 0.494 413 D N 0.084 120.614 120.400 0.217 0.000 2.133 413 D HA -0.197 4.443 4.640 -0.000 0.000 0.195 413 D C 2.170 178.666 176.300 0.328 0.000 0.997 413 D CA 1.513 55.633 54.000 0.199 0.000 0.840 413 D CB -0.404 40.478 40.800 0.137 0.000 0.947 413 D HN 0.383 nan 8.370 nan 0.000 0.452 414 M N 0.363 120.175 119.600 0.354 0.000 2.099 414 M HA -0.068 4.412 4.480 -0.000 0.000 0.262 414 M C 1.985 178.320 176.300 0.058 0.000 1.067 414 M CA 1.422 56.833 55.300 0.186 0.000 1.124 414 M CB -0.194 32.446 32.600 0.067 0.000 1.353 414 M HN -0.143 nan 8.290 nan 0.000 0.410 415 R N -0.730 119.786 120.500 0.028 0.000 2.073 415 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 415 R C 1.834 178.115 176.300 -0.031 0.000 1.134 415 R CA 1.934 58.029 56.100 -0.008 0.000 0.952 415 R CB -0.544 29.751 30.300 -0.007 0.000 0.850 415 R HN 0.340 nan 8.270 nan 0.000 0.433 416 V N 1.183 121.034 119.914 -0.105 0.000 2.490 416 V HA -0.242 3.878 4.120 -0.000 0.000 0.250 416 V C 2.335 178.442 176.094 0.021 0.000 1.061 416 V CA 1.675 63.928 62.300 -0.077 0.000 1.064 416 V CB -0.355 31.364 31.823 -0.173 0.000 0.670 416 V HN 0.385 nan 8.190 nan 0.000 0.461 417 M N -0.378 119.262 119.600 0.067 0.000 2.156 417 M HA -0.056 4.424 4.480 -0.000 0.000 0.264 417 M C 1.970 178.306 176.300 0.060 0.000 1.067 417 M CA 1.721 57.082 55.300 0.102 0.000 1.131 417 M CB -0.469 32.225 32.600 0.157 0.000 1.368 417 M HN 0.111 nan 8.290 nan 0.000 0.416 418 V N 0.327 120.258 119.914 0.029 0.000 2.427 418 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 418 V C 2.494 178.610 176.094 0.036 0.000 1.051 418 V CA 1.727 64.042 62.300 0.024 0.000 1.048 418 V CB -1.412 30.415 31.823 0.007 0.000 0.666 418 V HN 0.606 nan 8.190 nan 0.000 0.456 419 A N 0.274 123.114 122.820 0.034 0.000 1.969 419 A HA -0.044 4.275 4.320 -0.000 0.000 0.218 419 A C 2.388 180.005 177.584 0.054 0.000 1.169 419 A CA 1.707 53.767 52.037 0.039 0.000 0.635 419 A CB -1.019 18.000 19.000 0.033 0.000 0.810 419 A HN 0.523 nan 8.150 nan 0.000 0.445 420 G N 0.087 108.926 108.800 0.064 0.000 2.422 420 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.218 420 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.218 420 G C 1.492 176.449 174.900 0.095 0.000 1.146 420 G CA 1.107 46.257 45.100 0.083 0.000 0.769 420 G HN 0.487 nan 8.290 nan 0.000 0.547 421 I N -0.117 120.506 120.570 0.088 0.000 2.252 421 I HA -0.095 4.075 4.170 -0.000 0.000 0.245 421 I C 2.997 179.160 176.117 0.077 0.000 1.102 421 I CA 0.726 62.078 61.300 0.087 0.000 1.385 421 I CB -0.203 37.835 38.000 0.064 0.000 1.064 421 I HN 0.076 nan 8.210 nan 0.000 0.414 422 R N 0.649 121.185 120.500 0.060 0.000 2.092 422 R HA -0.176 4.164 4.340 -0.000 0.000 0.231 422 R C 2.290 178.630 176.300 0.067 0.000 1.119 422 R CA 1.053 57.187 56.100 0.056 0.000 0.970 422 R CB -0.219 30.106 30.300 0.041 0.000 0.864 422 R HN 0.105 nan 8.270 nan 0.000 0.440 423 K N 1.189 121.631 120.400 0.069 0.000 2.001 423 K HA -0.050 4.270 4.320 -0.000 0.000 0.208 423 K C 1.878 178.528 176.600 0.084 0.000 1.048 423 K CA 1.719 58.046 56.287 0.067 0.000 0.932 423 K CB -0.564 31.974 32.500 0.064 0.000 0.715 423 K HN 0.097 nan 8.250 nan 0.000 0.437 424 A N 1.097 123.985 122.820 0.113 0.000 1.896 424 A HA -0.283 4.037 4.320 -0.000 0.000 0.220 424 A C 2.230 179.925 177.584 0.184 0.000 1.206 424 A CA 2.351 54.486 52.037 0.163 0.000 0.647 424 A CB -0.701 18.429 19.000 0.216 0.000 0.828 424 A HN 0.428 nan 8.150 nan 0.000 0.455 425 R N -0.975 119.634 120.500 0.182 0.000 2.105 425 R HA -0.157 4.183 4.340 -0.000 0.000 0.239 425 R C 2.379 178.747 176.300 0.114 0.000 1.135 425 R CA 1.511 57.727 56.100 0.194 0.000 0.967 425 R CB -0.290 30.098 30.300 0.148 0.000 0.861 425 R HN 0.827 nan 8.270 nan 0.000 0.442 426 E N 0.929 121.177 120.200 0.080 0.000 2.072 426 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 426 E C 1.917 178.535 176.600 0.029 0.000 0.985 426 E CA 1.053 57.483 56.400 0.049 0.000 0.801 426 E CB 0.027 29.752 29.700 0.041 0.000 0.750 426 E HN 0.290 nan 8.360 nan 0.000 0.452 427 I N 1.115 121.701 120.570 0.026 0.000 2.142 427 I HA -0.251 3.919 4.170 -0.000 0.000 0.240 427 I C 2.644 178.739 176.117 -0.037 0.000 1.078 427 I CA 1.155 62.450 61.300 -0.010 0.000 1.343 427 I CB -0.484 37.507 38.000 -0.014 0.000 1.046 427 I HN 0.145 nan 8.210 nan 0.000 0.405 428 A N 0.642 123.438 122.820 -0.040 0.000 2.070 428 A HA -0.061 4.259 4.320 -0.000 0.000 0.220 428 A C 2.378 179.910 177.584 -0.088 0.000 1.159 428 A CA 1.674 53.634 52.037 -0.129 0.000 0.656 428 A CB -0.614 18.157 19.000 -0.382 0.000 0.800 428 A HN 0.481 nan 8.150 nan 0.000 0.453 429 A N -1.278 121.528 122.820 -0.023 0.000 2.123 429 A HA 0.129 4.449 4.320 -0.000 0.000 0.214 429 A C 0.942 178.527 177.584 0.003 0.000 1.152 429 A CA 0.061 52.102 52.037 0.007 0.000 0.728 429 A CB -0.111 18.910 19.000 0.036 0.000 0.814 429 A HN 0.441 nan 8.150 nan 0.000 0.464 430 Q N 0.014 119.808 119.800 -0.010 0.000 2.330 430 Q HA 0.088 4.428 4.340 -0.000 0.000 0.279 430 Q C -1.669 174.327 176.000 -0.007 0.000 1.024 430 Q CA -1.886 53.910 55.803 -0.012 0.000 0.900 430 Q CB 0.115 28.837 28.738 -0.026 0.000 1.221 430 Q HN 0.140 nan 8.270 nan 0.000 0.396 431 P HA -0.242 nan 4.420 nan 0.000 0.218 431 P C 0.655 177.961 177.300 0.010 0.000 1.150 431 P CA 2.124 65.227 63.100 0.005 0.000 0.841 431 P CB 0.185 31.886 31.700 0.002 0.000 0.784 432 A N -2.088 120.732 122.820 -0.001 0.000 2.172 432 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 432 A C 1.873 179.482 177.584 0.041 0.000 1.154 432 A CA 1.293 53.333 52.037 0.006 0.000 0.701 432 A CB -0.888 18.095 19.000 -0.028 0.000 0.789 432 A HN 0.089 nan 8.150 nan 0.000 0.465 433 M N -1.507 118.114 119.600 0.034 0.000 2.333 433 M HA 0.262 4.742 4.480 -0.000 0.000 0.257 433 M C 2.032 178.402 176.300 0.117 0.000 1.078 433 M CA 0.600 55.949 55.300 0.082 0.000 1.005 433 M CB -0.628 31.962 32.600 -0.016 0.000 1.444 433 M HN 0.433 nan 8.290 nan 0.000 0.496 434 A N 0.631 123.489 122.820 0.064 0.000 1.986 434 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 434 A C 1.805 179.391 177.584 0.005 0.000 1.171 434 A CA 1.498 53.556 52.037 0.035 0.000 0.640 434 A CB -0.277 18.731 19.000 0.014 0.000 0.811 434 A HN 0.393 nan 8.150 nan 0.000 0.451 435 E N -2.252 117.929 120.200 -0.031 0.000 2.489 435 E HA -0.026 4.323 4.350 -0.000 0.000 0.193 435 E C 0.959 177.287 176.600 -0.453 0.000 1.057 435 E CA 0.213 56.473 56.400 -0.232 0.000 0.866 435 E CB -0.106 29.413 29.700 -0.302 0.000 0.916 435 E HN 0.928 nan 8.360 nan 0.000 0.500 436 W N 0.512 121.817 121.300 0.010 0.000 2.952 436 W HA 0.088 4.748 4.660 -0.000 0.000 0.251 436 W C 0.712 177.339 176.519 0.180 0.000 1.144 436 W CA 0.038 57.415 57.345 0.052 0.000 1.551 436 W CB 0.066 29.485 29.460 -0.068 0.000 0.978 436 W HN -0.281 nan 8.180 nan 0.000 0.648 437 T N 1.578 116.325 114.554 0.321 0.000 2.743 437 T HA 0.390 4.740 4.350 -0.000 0.000 0.290 437 T C 0.745 175.553 174.700 0.180 0.000 0.908 437 T CA 0.243 62.482 62.100 0.233 0.000 1.092 437 T CB 0.332 69.214 68.868 0.023 0.000 0.882 437 T HN 0.129 nan 8.240 nan 0.000 0.531 438 G N 2.480 111.414 108.800 0.224 0.000 2.666 438 G HA2 0.342 4.302 3.960 -0.000 0.000 0.207 438 G HA3 0.342 4.302 3.960 -0.000 0.000 0.207 438 G C 0.108 175.142 174.900 0.224 0.000 1.481 438 G CA -0.737 44.470 45.100 0.178 0.000 1.071 438 G HN 0.659 nan 8.290 nan 0.000 0.572 439 R N 0.390 120.981 120.500 0.152 0.000 2.594 439 R HA 0.175 4.515 4.340 -0.000 0.000 0.272 439 R C -0.160 176.180 176.300 0.068 0.000 1.074 439 R CA -0.121 56.045 56.100 0.109 0.000 1.105 439 R CB 0.427 30.754 30.300 0.046 0.000 1.008 439 R HN 0.534 nan 8.270 nan 0.000 0.472 440 E N 4.235 124.401 120.200 -0.058 0.000 2.152 440 E HA 0.042 4.392 4.350 -0.000 0.000 0.285 440 E C 0.469 176.885 176.600 -0.306 0.000 1.043 440 E CA -0.242 55.889 56.400 -0.450 0.000 0.839 440 E CB 0.746 30.179 29.700 -0.446 0.000 1.069 440 E HN 0.636 nan 8.360 nan 0.000 0.399 441 L N 3.006 124.033 121.223 -0.327 0.000 2.102 441 L HA 0.036 4.376 4.340 -0.000 0.000 0.202 441 L C 1.087 177.875 176.870 -0.136 0.000 1.076 441 L CA 0.396 55.151 54.840 -0.143 0.000 0.761 441 L CB -0.179 41.825 42.059 -0.092 0.000 0.921 441 L HN 0.442 nan 8.230 nan 0.000 0.444 442 S N -1.955 113.562 115.700 -0.305 0.000 2.541 442 S HA 0.439 4.909 4.470 -0.000 0.000 0.280 442 S C -2.449 171.804 174.600 -0.577 0.000 1.112 442 S CA -1.268 56.649 58.200 -0.472 0.000 0.925 442 S CB 2.042 64.908 63.200 -0.557 0.000 1.067 442 S HN -0.201 nan 8.310 nan 0.000 0.479 443 P HA 0.265 nan 4.420 nan 0.000 0.245 443 P C 0.755 177.843 177.300 -0.354 0.000 1.212 443 P CA 1.015 63.481 63.100 -1.056 0.000 0.774 443 P CB -0.450 30.414 31.700 -1.392 0.000 0.999 444 G N -0.093 108.542 108.800 -0.275 0.000 2.719 444 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.686 444 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.686 444 G C 0.578 175.413 174.900 -0.108 0.000 1.201 444 G CA -0.475 44.551 45.100 -0.123 0.000 0.768 444 G HN 0.096 nan 8.290 nan 0.000 0.629 445 V N -1.176 118.697 119.914 -0.068 0.000 2.688 445 V HA -0.072 4.047 4.120 -0.000 0.000 0.256 445 V C 2.053 178.129 176.094 -0.030 0.000 1.084 445 V CA 2.750 65.027 62.300 -0.039 0.000 1.103 445 V CB -0.594 31.223 31.823 -0.010 0.000 0.688 445 V HN 0.794 nan 8.190 nan 0.000 0.480 446 E N 1.326 121.509 120.200 -0.027 0.000 2.274 446 E HA 0.209 4.559 4.350 -0.000 0.000 0.194 446 E C 1.344 177.930 176.600 -0.023 0.000 0.996 446 E CA 0.701 57.090 56.400 -0.018 0.000 0.840 446 E CB -0.142 29.552 29.700 -0.010 0.000 0.772 446 E HN 0.742 nan 8.360 nan 0.000 0.491 447 A N 1.339 124.132 122.820 -0.045 0.000 2.539 447 A HA 0.081 4.401 4.320 -0.000 0.000 0.306 447 A C 0.668 178.221 177.584 -0.052 0.000 1.392 447 A CA -0.186 51.818 52.037 -0.054 0.000 1.060 447 A CB 0.287 19.225 19.000 -0.104 0.000 1.134 447 A HN 0.042 nan 8.150 nan 0.000 0.542 448 Q N 0.774 120.558 119.800 -0.026 0.000 2.532 448 Q HA 0.048 4.388 4.340 -0.000 0.000 0.247 448 Q C 1.201 177.197 176.000 -0.007 0.000 0.872 448 Q CA 1.256 57.049 55.803 -0.016 0.000 0.963 448 Q CB -0.222 28.511 28.738 -0.007 0.000 1.159 448 Q HN 0.878 nan 8.270 nan 0.000 0.598 449 T N -0.226 114.326 114.554 -0.003 0.000 2.766 449 T HA 0.069 4.419 4.350 -0.000 0.000 0.295 449 T C 0.811 175.513 174.700 0.002 0.000 1.024 449 T CA -0.206 61.895 62.100 0.002 0.000 1.018 449 T CB 0.795 69.666 68.868 0.004 0.000 1.002 449 T HN -0.129 nan 8.240 nan 0.000 0.532 450 D N -0.266 120.138 120.400 0.005 0.000 2.117 450 D HA -0.085 4.555 4.640 -0.000 0.000 0.198 450 D C 1.906 178.208 176.300 0.003 0.000 0.982 450 D CA 1.196 55.199 54.000 0.005 0.000 0.828 450 D CB -0.236 40.568 40.800 0.008 0.000 0.967 450 D HN 0.851 nan 8.370 nan 0.000 0.464 451 E N 0.846 121.049 120.200 0.005 0.000 2.077 451 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 451 E C 1.675 178.281 176.600 0.009 0.000 0.989 451 E CA 0.933 57.336 56.400 0.005 0.000 0.800 451 E CB 0.122 29.827 29.700 0.008 0.000 0.746 451 E HN 0.291 nan 8.360 nan 0.000 0.452 452 E N 0.146 120.352 120.200 0.011 0.000 2.110 452 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 452 E C 2.171 178.791 176.600 0.034 0.000 0.988 452 E CA 0.923 57.334 56.400 0.019 0.000 0.804 452 E CB 0.028 29.732 29.700 0.007 0.000 0.745 452 E HN 0.317 nan 8.360 nan 0.000 0.458 453 L N 0.376 121.611 121.223 0.020 0.000 2.313 453 L HA -0.121 4.219 4.340 -0.000 0.000 0.214 453 L C 2.273 179.169 176.870 0.044 0.000 1.119 453 L CA 0.714 55.577 54.840 0.038 0.000 0.809 453 L CB -0.093 41.972 42.059 0.011 0.000 0.933 453 L HN 0.109 nan 8.230 nan 0.000 0.449 454 Q N -0.401 119.399 119.800 -0.000 0.000 2.137 454 Q HA -0.186 4.154 4.340 -0.000 0.000 0.198 454 Q C 1.670 177.641 176.000 -0.049 0.000 0.960 454 Q CA 1.252 57.021 55.803 -0.056 0.000 0.847 454 Q CB 0.035 28.744 28.738 -0.050 0.000 0.915 454 Q HN 0.305 nan 8.270 nan 0.000 0.448 455 D N -0.201 120.200 120.400 0.002 0.000 2.123 455 D HA -0.207 4.433 4.640 -0.000 0.000 0.196 455 D C 1.532 177.846 176.300 0.023 0.000 0.992 455 D CA 1.045 55.051 54.000 0.010 0.000 0.833 455 D CB -0.035 40.783 40.800 0.029 0.000 0.954 455 D HN 0.313 nan 8.370 nan 0.000 0.455 456 Y N 0.250 120.508 120.300 -0.070 0.000 2.286 456 Y HA 0.034 4.583 4.550 -0.000 0.000 0.293 456 Y C 2.027 177.871 175.900 -0.094 0.000 1.124 456 Y CA 1.062 59.116 58.100 -0.077 0.000 1.178 456 Y CB -0.203 38.215 38.460 -0.069 0.000 1.010 456 Y HN -0.049 nan 8.280 nan 0.000 0.536 457 I N 0.469 120.981 120.570 -0.097 0.000 2.226 457 I HA -0.297 3.872 4.170 -0.000 0.000 0.245 457 I C 2.769 178.753 176.117 -0.221 0.000 1.100 457 I CA 1.517 62.674 61.300 -0.238 0.000 1.374 457 I CB -0.446 37.379 38.000 -0.292 0.000 1.057 457 I HN 0.172 nan 8.210 nan 0.000 0.413 458 R N 1.235 121.627 120.500 -0.180 0.000 2.096 458 R HA -0.196 4.144 4.340 -0.000 0.000 0.235 458 R C 2.089 178.395 176.300 0.012 0.000 1.127 458 R CA 1.642 57.711 56.100 -0.052 0.000 0.968 458 R CB 0.014 30.285 30.300 -0.049 0.000 0.861 458 R HN 0.303 nan 8.270 nan 0.000 0.440 459 K N -1.235 119.087 120.400 -0.130 0.000 2.211 459 K HA -0.001 4.319 4.320 -0.000 0.000 0.201 459 K C 1.499 177.988 176.600 -0.184 0.000 1.052 459 K CA 1.526 57.688 56.287 -0.208 0.000 0.973 459 K CB 0.489 32.660 32.500 -0.547 0.000 0.766 459 K HN 0.293 nan 8.250 nan 0.000 0.466 460 T N -2.013 112.336 114.554 -0.341 0.000 3.043 460 T HA 0.082 4.432 4.350 -0.000 0.000 0.272 460 T C 0.329 174.856 174.700 -0.288 0.000 0.990 460 T CA -0.567 61.314 62.100 -0.365 0.000 0.897 460 T CB -0.425 67.991 68.868 -0.754 0.000 1.111 460 T HN 0.252 nan 8.240 nan 0.000 0.529 461 H N 1.267 120.213 119.070 -0.206 0.000 2.730 461 H HA 0.697 5.253 4.556 -0.000 0.000 0.376 461 H C 0.218 175.500 175.328 -0.077 0.000 1.299 461 H CA -0.159 55.826 56.048 -0.104 0.000 1.447 461 H CB 0.303 30.069 29.762 0.008 0.000 1.493 461 H HN 0.166 nan 8.280 nan 0.000 0.619 462 N N -1.479 117.246 118.700 0.042 0.000 3.512 462 N HA 0.394 5.134 4.740 -0.000 0.000 0.360 462 N C -1.411 174.021 175.510 -0.130 0.000 1.593 462 N CA -0.195 52.800 53.050 -0.091 0.000 0.672 462 N CB 2.116 40.619 38.487 0.026 0.000 2.105 462 N HN 0.852 nan 8.380 nan 0.000 0.645 463 T N -0.961 113.382 114.554 -0.351 0.000 2.903 463 T HA 0.413 4.763 4.350 -0.000 0.000 0.299 463 T C 0.134 174.497 174.700 -0.562 0.000 1.093 463 T CA -0.621 61.204 62.100 -0.458 0.000 1.002 463 T CB 0.979 69.492 68.868 -0.592 0.000 1.127 463 T HN 0.106 nan 8.240 nan 0.000 0.488 464 V N 3.170 122.828 119.914 -0.426 0.000 3.573 464 V HA 0.171 4.291 4.120 -0.000 0.000 0.270 464 V C 0.119 175.888 176.094 -0.542 0.000 1.221 464 V CA 0.228 62.248 62.300 -0.466 0.000 1.163 464 V CB -2.185 29.366 31.823 -0.453 0.000 0.847 464 V HN 1.052 nan 8.190 nan 0.000 0.468 465 Y N -0.722 119.309 120.300 -0.448 0.000 3.535 465 Y HA -0.203 4.346 4.550 -0.000 0.000 0.220 465 Y C 0.407 176.345 175.900 0.063 0.000 1.477 465 Y CA 0.388 58.370 58.100 -0.198 0.000 1.658 465 Y CB -2.778 35.628 38.460 -0.089 0.000 1.552 465 Y HN 0.657 nan 8.280 nan 0.000 0.596 466 H N -0.736 118.469 119.070 0.225 0.000 2.380 466 H HA 0.283 4.839 4.556 -0.000 0.000 0.231 466 H C -2.600 172.844 175.328 0.193 0.000 1.415 466 H CA -2.311 53.884 56.048 0.245 0.000 1.433 466 H CB 0.760 30.733 29.762 0.351 0.000 1.544 466 H HN -0.058 nan 8.280 nan 0.000 0.503 467 P HA -0.014 nan 4.420 nan 0.000 0.271 467 P C 0.016 177.285 177.300 -0.052 0.000 1.233 467 P CA 0.046 63.221 63.100 0.125 0.000 0.764 467 P CB 1.426 33.224 31.700 0.164 0.000 0.825 468 V N -0.573 119.209 119.914 -0.220 0.000 3.130 468 V HA 0.927 5.047 4.120 -0.000 0.000 0.310 468 V C 0.779 176.719 176.094 -0.257 0.000 1.158 468 V CA -0.151 61.966 62.300 -0.305 0.000 1.029 468 V CB 1.309 32.782 31.823 -0.583 0.000 1.057 468 V HN 0.716 nan 8.190 nan 0.000 0.436 469 G N 1.159 109.811 108.800 -0.247 0.000 2.201 469 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.212 469 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.212 469 G C 0.836 175.640 174.900 -0.160 0.000 0.994 469 G CA 0.958 45.915 45.100 -0.240 0.000 0.644 469 G HN 1.951 nan 8.290 nan 0.000 0.508 470 T N -1.228 113.236 114.554 -0.150 0.000 2.962 470 T HA 0.248 4.598 4.350 -0.000 0.000 0.270 470 T C 1.066 175.699 174.700 -0.111 0.000 1.088 470 T CA 1.523 63.544 62.100 -0.131 0.000 1.127 470 T CB 0.252 69.030 68.868 -0.150 0.000 0.883 470 T HN 0.966 nan 8.240 nan 0.000 0.493 471 V N 2.677 122.517 119.914 -0.122 0.000 2.405 471 V HA 0.337 4.457 4.120 -0.000 0.000 0.253 471 V C 0.231 176.234 176.094 -0.151 0.000 0.963 471 V CA -1.386 60.848 62.300 -0.111 0.000 1.003 471 V CB -0.190 31.570 31.823 -0.105 0.000 1.251 471 V HN 0.519 nan 8.190 nan 0.000 0.520 472 R N 2.408 122.817 120.500 -0.151 0.000 2.543 472 R HA 0.582 4.922 4.340 -0.000 0.000 0.277 472 R C 0.214 176.360 176.300 -0.257 0.000 1.074 472 R CA -0.528 55.414 56.100 -0.265 0.000 1.076 472 R CB 0.825 30.939 30.300 -0.310 0.000 0.993 472 R HN 0.633 nan 8.270 nan 0.000 0.459 473 M N 1.665 121.051 119.600 -0.357 0.000 2.217 473 M HA 0.469 4.949 4.480 -0.000 0.000 0.354 473 M C -0.307 175.834 176.300 -0.265 0.000 1.225 473 M CA 0.265 55.380 55.300 -0.310 0.000 1.137 473 M CB 1.429 33.766 32.600 -0.439 0.000 1.576 473 M HN 0.815 nan 8.290 nan 0.000 0.461 474 G N 1.753 110.465 108.800 -0.148 0.000 2.911 474 G HA2 0.768 4.728 3.960 -0.000 0.000 0.299 474 G HA3 0.768 4.728 3.960 -0.000 0.000 0.299 474 G C -1.802 173.084 174.900 -0.024 0.000 1.283 474 G CA -0.661 44.389 45.100 -0.083 0.000 0.805 474 G HN 1.047 nan 8.290 nan 0.000 0.548 475 A N -0.489 122.332 122.820 0.002 0.000 2.354 475 A HA 0.559 4.879 4.320 -0.000 0.000 0.269 475 A C 1.689 179.279 177.584 0.011 0.000 1.109 475 A CA 0.185 52.234 52.037 0.021 0.000 0.800 475 A CB 0.744 19.759 19.000 0.026 0.000 1.045 475 A HN 1.348 nan 8.150 nan 0.000 0.489 476 V N 1.903 121.828 119.914 0.019 0.000 2.277 476 V HA -0.346 3.773 4.120 -0.000 0.000 0.261 476 V C 2.372 178.468 176.094 0.004 0.000 1.091 476 V CA 2.681 64.989 62.300 0.013 0.000 1.090 476 V CB -0.970 30.864 31.823 0.017 0.000 0.704 476 V HN 1.026 nan 8.190 nan 0.000 0.455 477 E N 0.490 120.693 120.200 0.005 0.000 2.465 477 E HA 0.013 4.363 4.350 -0.000 0.000 0.191 477 E C 0.329 176.928 176.600 -0.002 0.000 1.053 477 E CA 0.076 56.476 56.400 0.001 0.000 0.869 477 E CB -0.423 29.279 29.700 0.002 0.000 0.977 477 E HN 0.658 nan 8.360 nan 0.000 0.483 478 D N 1.877 122.275 120.400 -0.003 0.000 2.339 478 D HA 0.017 4.657 4.640 -0.000 0.000 0.256 478 D C 0.699 176.994 176.300 -0.008 0.000 1.214 478 D CA -0.052 53.944 54.000 -0.006 0.000 0.877 478 D CB 0.949 41.742 40.800 -0.012 0.000 1.111 478 D HN -0.028 nan 8.370 nan 0.000 0.478 479 E N 3.075 123.273 120.200 -0.004 0.000 2.076 479 E HA -0.083 4.266 4.350 -0.000 0.000 0.190 479 E C 1.375 177.976 176.600 0.002 0.000 0.979 479 E CA 0.548 56.946 56.400 -0.005 0.000 0.807 479 E CB 0.065 29.762 29.700 -0.005 0.000 0.761 479 E HN 0.610 nan 8.360 nan 0.000 0.454 480 M N 0.854 120.466 119.600 0.020 0.000 2.659 480 M HA 0.033 4.513 4.480 -0.000 0.000 0.243 480 M C 0.348 176.706 176.300 0.095 0.000 1.111 480 M CA 0.583 55.923 55.300 0.068 0.000 1.070 480 M CB -0.124 32.546 32.600 0.117 0.000 1.525 480 M HN -0.237 nan 8.290 nan 0.000 0.517 481 S N 1.189 116.896 115.700 0.013 0.000 2.423 481 S HA 0.257 4.727 4.470 -0.000 0.000 0.317 481 S C -1.630 172.950 174.600 -0.033 0.000 1.065 481 S CA -1.134 57.049 58.200 -0.028 0.000 1.111 481 S CB 1.367 64.523 63.200 -0.073 0.000 0.968 481 S HN 0.067 nan 8.310 nan 0.000 0.474 482 P HA -0.059 nan 4.420 nan 0.000 0.216 482 P C -0.080 177.192 177.300 -0.048 0.000 1.150 482 P CA 1.095 64.170 63.100 -0.042 0.000 0.843 482 P CB 0.150 31.820 31.700 -0.049 0.000 0.787 483 L N -0.203 120.978 121.223 -0.070 0.000 2.344 483 L HA 0.325 4.665 4.340 -0.000 0.000 0.272 483 L C 0.536 177.373 176.870 -0.054 0.000 1.035 483 L CA -1.158 53.642 54.840 -0.066 0.000 0.807 483 L CB 0.950 42.946 42.059 -0.104 0.000 1.237 483 L HN -0.046 nan 8.230 nan 0.000 0.442 484 D N 1.060 121.448 120.400 -0.021 0.000 2.387 484 D HA 0.267 4.907 4.640 -0.000 0.000 0.255 484 D C -2.296 174.020 176.300 0.027 0.000 1.081 484 D CA -2.298 51.703 54.000 0.003 0.000 0.994 484 D CB 0.688 41.501 40.800 0.022 0.000 1.127 484 D HN 0.115 nan 8.370 nan 0.000 0.513 485 P HA -0.072 nan 4.420 nan 0.000 0.234 485 P C 0.079 177.566 177.300 0.312 0.000 1.162 485 P CA 1.018 64.226 63.100 0.179 0.000 0.759 485 P CB 0.076 31.906 31.700 0.216 0.000 0.813 486 E N -0.685 119.630 120.200 0.191 0.000 2.501 486 E HA 0.213 4.563 4.350 -0.000 0.000 0.200 486 E C 0.608 177.304 176.600 0.159 0.000 1.016 486 E CA -0.167 56.351 56.400 0.195 0.000 0.921 486 E CB 0.086 29.857 29.700 0.118 0.000 1.034 486 E HN 0.139 nan 8.360 nan 0.000 0.468 487 L N -0.269 121.025 121.223 0.118 0.000 5.051 487 L HA -0.280 4.060 4.340 -0.000 0.000 0.432 487 L C 0.256 177.147 176.870 0.036 0.000 1.055 487 L CA 0.814 55.685 54.840 0.052 0.000 1.095 487 L CB -1.632 40.479 42.059 0.087 0.000 1.957 487 L HN 0.196 nan 8.230 nan 0.000 0.727 488 R N 0.892 121.420 120.500 0.046 0.000 2.401 488 R HA 0.384 4.724 4.340 -0.000 0.000 0.299 488 R C 0.216 176.529 176.300 0.021 0.000 1.064 488 R CA -0.412 55.712 56.100 0.041 0.000 1.000 488 R CB 0.941 31.270 30.300 0.047 0.000 0.973 488 R HN -0.054 nan 8.270 nan 0.000 0.438 489 V N 4.802 124.731 119.914 0.025 0.000 2.485 489 V HA -0.043 4.077 4.120 -0.000 0.000 0.287 489 V C 0.657 176.754 176.094 0.005 0.000 1.022 489 V CA 0.223 62.531 62.300 0.012 0.000 1.067 489 V CB 0.124 31.966 31.823 0.033 0.000 0.967 489 V HN 0.643 nan 8.190 nan 0.000 0.479 490 K N 3.551 123.945 120.400 -0.011 0.000 2.436 490 K HA 0.399 4.718 4.320 -0.000 0.000 0.275 490 K C 1.147 177.727 176.600 -0.034 0.000 0.999 490 K CA 0.848 57.125 56.287 -0.017 0.000 0.980 490 K CB 0.387 32.875 32.500 -0.020 0.000 0.919 490 K HN 1.105 nan 8.250 nan 0.000 0.484 491 G N 0.381 109.160 108.800 -0.035 0.000 2.171 491 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.238 491 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.238 491 G C -0.488 174.359 174.900 -0.090 0.000 1.039 491 G CA -0.212 44.853 45.100 -0.058 0.000 0.759 491 G HN 0.438 nan 8.290 nan 0.000 0.501 492 V N -0.109 119.771 119.914 -0.058 0.000 2.871 492 V HA 0.535 4.655 4.120 -0.000 0.000 0.283 492 V C 0.381 176.490 176.094 0.025 0.000 1.422 492 V CA -0.311 61.956 62.300 -0.056 0.000 0.943 492 V CB 1.775 33.527 31.823 -0.119 0.000 1.125 492 V HN 1.173 nan 8.190 nan 0.000 0.440 493 T N 0.803 115.385 114.554 0.047 0.000 2.882 493 T HA 0.603 4.953 4.350 -0.000 0.000 0.287 493 T C 1.100 175.861 174.700 0.103 0.000 1.014 493 T CA 0.787 62.927 62.100 0.065 0.000 1.049 493 T CB 1.483 70.382 68.868 0.051 0.000 1.001 493 T HN 2.523 nan 8.240 nan 0.000 0.525 494 G N 0.458 109.315 108.800 0.094 0.000 2.141 494 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.242 494 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.242 494 G C -0.375 174.593 174.900 0.113 0.000 0.982 494 G CA 0.167 45.328 45.100 0.103 0.000 0.662 494 G HN 1.261 nan 8.290 nan 0.000 0.527 495 L N 0.020 121.310 121.223 0.112 0.000 2.505 495 L HA 0.875 5.215 4.340 -0.000 0.000 0.266 495 L C -0.373 176.544 176.870 0.078 0.000 0.954 495 L CA -0.905 53.998 54.840 0.105 0.000 0.852 495 L CB 1.398 43.545 42.059 0.147 0.000 1.282 495 L HN 0.209 nan 8.230 nan 0.000 0.403 496 R N 3.350 123.887 120.500 0.062 0.000 2.837 496 R HA 0.847 5.187 4.340 -0.000 0.000 0.271 496 R C -1.626 174.687 176.300 0.022 0.000 0.993 496 R CA -1.083 55.042 56.100 0.042 0.000 0.931 496 R CB 2.478 32.806 30.300 0.048 0.000 1.206 496 R HN 0.397 nan 8.270 nan 0.000 0.474 497 V N 0.777 120.691 119.914 0.001 0.000 2.555 497 V HA 0.664 4.784 4.120 -0.000 0.000 0.302 497 V C -0.577 175.502 176.094 -0.025 0.000 1.038 497 V CA -0.748 61.540 62.300 -0.020 0.000 0.887 497 V CB 1.687 33.481 31.823 -0.047 0.000 0.991 497 V HN 0.917 nan 8.190 nan 0.000 0.434 498 A N 4.100 126.907 122.820 -0.022 0.000 2.545 498 A HA 0.842 5.161 4.320 -0.000 0.000 0.300 498 A C -0.773 176.796 177.584 -0.026 0.000 1.252 498 A CA -0.376 51.651 52.037 -0.016 0.000 0.753 498 A CB 0.455 19.457 19.000 0.003 0.000 1.144 498 A HN 1.042 nan 8.150 nan 0.000 0.457 499 D N 0.045 120.419 120.400 -0.043 0.000 2.893 499 D HA 0.370 5.009 4.640 -0.000 0.000 0.346 499 D C 0.638 176.903 176.300 -0.059 0.000 1.402 499 D CA 0.073 54.053 54.000 -0.034 0.000 0.815 499 D CB 0.374 41.156 40.800 -0.030 0.000 1.403 499 D HN 0.493 nan 8.370 nan 0.000 0.484 500 A N -0.419 122.373 122.820 -0.046 0.000 2.259 500 A HA 0.020 4.340 4.320 -0.000 0.000 0.212 500 A C 1.627 179.123 177.584 -0.147 0.000 1.178 500 A CA 1.715 53.706 52.037 -0.077 0.000 0.734 500 A CB -1.036 17.938 19.000 -0.042 0.000 0.774 500 A HN 0.414 nan 8.150 nan 0.000 0.481 501 S N -0.366 115.249 115.700 -0.141 0.000 2.406 501 S HA -0.107 4.363 4.470 -0.000 0.000 0.228 501 S C 1.928 176.390 174.600 -0.230 0.000 1.020 501 S CA 1.257 59.356 58.200 -0.167 0.000 0.965 501 S CB -0.570 62.550 63.200 -0.133 0.000 0.798 501 S HN 0.937 nan 8.310 nan 0.000 0.488 502 V N -0.120 119.635 119.914 -0.264 0.000 2.809 502 V HA 0.107 4.227 4.120 -0.000 0.000 0.256 502 V C 0.816 176.557 176.094 -0.588 0.000 1.080 502 V CA 0.560 62.632 62.300 -0.381 0.000 1.102 502 V CB -1.087 30.500 31.823 -0.394 0.000 0.705 502 V HN 0.389 nan 8.190 nan 0.000 0.475 503 M N 2.633 121.869 119.600 -0.607 0.000 2.327 503 M HA 0.124 4.604 4.480 -0.000 0.000 0.353 503 M C -1.052 174.745 176.300 -0.839 0.000 1.539 503 M CA -0.528 54.220 55.300 -0.920 0.000 1.039 503 M CB 0.438 32.739 32.600 -0.498 0.000 1.967 503 M HN 0.156 nan 8.290 nan 0.000 0.459 504 P HA -0.031 nan 4.420 nan 0.000 0.233 504 P C -0.194 176.579 177.300 -0.879 0.000 1.167 504 P CA 1.253 63.816 63.100 -0.894 0.000 0.770 504 P CB 0.286 31.434 31.700 -0.921 0.000 0.837 505 E N -1.046 118.737 120.200 -0.695 0.000 2.397 505 E HA 0.203 4.553 4.350 -0.000 0.000 0.293 505 E C -0.972 175.683 176.600 0.092 0.000 0.930 505 E CA -0.649 55.580 56.400 -0.285 0.000 0.793 505 E CB 0.354 29.909 29.700 -0.241 0.000 1.259 505 E HN -0.120 nan 8.360 nan 0.000 0.406 506 H N 2.244 121.314 119.070 0.000 0.000 2.913 506 H HA 0.227 4.783 4.556 -0.000 0.000 0.365 506 H C 0.039 175.437 175.328 0.116 0.000 1.155 506 H CA 0.773 56.827 56.048 0.011 0.000 1.417 506 H CB 0.614 30.290 29.762 -0.143 0.000 1.386 506 H HN 0.389 nan 8.280 nan 0.000 0.614 507 V N 1.475 121.716 119.914 0.544 0.000 2.904 507 V HA 0.170 4.290 4.120 -0.000 0.000 0.305 507 V C 1.332 177.468 176.094 0.070 0.000 1.067 507 V CA -0.335 62.153 62.300 0.314 0.000 1.044 507 V CB 0.945 32.960 31.823 0.319 0.000 1.050 507 V HN 0.842 nan 8.190 nan 0.000 0.475 508 T N 1.527 116.109 114.554 0.047 0.000 2.803 508 T HA -0.022 4.328 4.350 -0.000 0.000 0.269 508 T C 0.689 175.311 174.700 -0.130 0.000 1.052 508 T CA 1.767 63.855 62.100 -0.020 0.000 1.136 508 T CB -0.411 68.512 68.868 0.091 0.000 0.864 508 T HN 0.990 nan 8.240 nan 0.000 0.467 509 V N -1.145 118.712 119.914 -0.094 0.000 3.158 509 V HA 0.455 4.575 4.120 -0.000 0.000 0.315 509 V C -0.489 175.605 176.094 -0.001 0.000 1.148 509 V CA -1.895 60.301 62.300 -0.174 0.000 1.042 509 V CB 1.188 32.702 31.823 -0.515 0.000 1.101 509 V HN 0.122 nan 8.190 nan 0.000 0.448 510 N N 2.909 121.620 118.700 0.018 0.000 2.236 510 N HA 0.020 4.760 4.740 -0.000 0.000 0.274 510 N C -1.863 173.617 175.510 -0.052 0.000 1.339 510 N CA -0.008 52.978 53.050 -0.106 0.000 0.845 510 N CB 0.597 39.120 38.487 0.060 0.000 1.091 510 N HN 0.647 nan 8.380 nan 0.000 0.489 511 P HA -0.048 nan 4.420 nan 0.000 0.249 511 P C 0.848 178.189 177.300 0.067 0.000 1.229 511 P CA 0.447 63.577 63.100 0.050 0.000 0.788 511 P CB 0.181 31.940 31.700 0.099 0.000 1.072 512 N N 0.672 119.387 118.700 0.026 0.000 2.036 512 N HA -0.149 4.590 4.740 -0.000 0.000 0.195 512 N C 1.524 177.090 175.510 0.093 0.000 1.037 512 N CA 1.244 54.327 53.050 0.054 0.000 0.855 512 N CB -0.111 38.393 38.487 0.028 0.000 1.033 512 N HN -0.123 nan 8.380 nan 0.000 0.423 513 I N 1.378 122.013 120.570 0.109 0.000 2.208 513 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 513 I C 2.357 178.608 176.117 0.224 0.000 1.097 513 I CA 1.237 62.623 61.300 0.144 0.000 1.363 513 I CB -1.846 36.223 38.000 0.115 0.000 1.051 513 I HN 0.203 nan 8.210 nan 0.000 0.413 514 T N 1.348 116.057 114.554 0.259 0.000 2.684 514 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 514 T C 2.219 177.034 174.700 0.192 0.000 1.036 514 T CA 1.570 63.850 62.100 0.301 0.000 1.148 514 T CB -0.458 68.582 68.868 0.286 0.000 0.863 514 T HN 0.139 nan 8.240 nan 0.000 0.436 515 V N 1.798 121.804 119.914 0.153 0.000 2.332 515 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 515 V C 2.459 178.596 176.094 0.073 0.000 1.055 515 V CA 1.833 64.197 62.300 0.106 0.000 1.038 515 V CB -0.720 31.148 31.823 0.076 0.000 0.651 515 V HN 0.537 nan 8.190 nan 0.000 0.450 516 M N -1.105 118.539 119.600 0.073 0.000 2.213 516 M HA -0.186 4.294 4.480 -0.000 0.000 0.263 516 M C 2.289 178.598 176.300 0.015 0.000 1.062 516 M CA 1.643 56.967 55.300 0.040 0.000 1.105 516 M CB -0.501 32.167 32.600 0.114 0.000 1.385 516 M HN 0.344 nan 8.290 nan 0.000 0.417 517 M N 1.256 120.866 119.600 0.017 0.000 2.086 517 M HA -0.152 4.328 4.480 -0.000 0.000 0.261 517 M C 1.975 178.281 176.300 0.010 0.000 1.067 517 M CA 1.974 57.215 55.300 -0.097 0.000 1.116 517 M CB -0.560 31.827 32.600 -0.355 0.000 1.348 517 M HN 0.234 nan 8.290 nan 0.000 0.407 518 I N 0.468 121.121 120.570 0.138 0.000 2.208 518 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 518 I C 2.571 178.765 176.117 0.128 0.000 1.097 518 I CA 1.433 62.890 61.300 0.261 0.000 1.363 518 I CB -1.096 37.020 38.000 0.194 0.000 1.051 518 I HN 0.427 nan 8.210 nan 0.000 0.413 519 G N 0.435 109.251 108.800 0.028 0.000 2.586 519 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 519 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 519 G C 1.521 176.379 174.900 -0.071 0.000 1.216 519 G CA 0.901 45.967 45.100 -0.058 0.000 0.786 519 G HN 0.333 nan 8.290 nan 0.000 0.583 520 E N 0.193 120.348 120.200 -0.075 0.000 2.097 520 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 520 E C 2.525 179.086 176.600 -0.064 0.000 1.000 520 E CA 1.351 57.709 56.400 -0.070 0.000 0.804 520 E CB -0.209 29.456 29.700 -0.059 0.000 0.740 520 E HN 0.438 nan 8.360 nan 0.000 0.454 521 R N 0.603 121.074 120.500 -0.048 0.000 2.073 521 R HA -0.067 4.273 4.340 -0.000 0.000 0.229 521 R C 2.522 178.803 176.300 -0.032 0.000 1.120 521 R CA 1.397 57.443 56.100 -0.090 0.000 0.967 521 R CB -0.875 29.305 30.300 -0.199 0.000 0.862 521 R HN 0.220 nan 8.270 nan 0.000 0.436 522 C N 0.157 119.485 119.300 0.046 0.000 2.429 522 C HA 0.032 4.492 4.460 -0.000 0.000 0.277 522 C C 2.778 177.751 174.990 -0.028 0.000 1.262 522 C CA 1.014 60.060 59.018 0.047 0.000 1.733 522 C CB -1.234 26.541 27.740 0.057 0.000 2.010 522 C HN 0.677 nan 8.230 nan 0.000 0.483 523 A N 0.200 122.984 122.820 -0.060 0.000 1.917 523 A HA -0.250 4.069 4.320 -0.000 0.000 0.219 523 A C 1.944 179.480 177.584 -0.081 0.000 1.182 523 A CA 2.476 54.456 52.037 -0.095 0.000 0.633 523 A CB -0.823 18.121 19.000 -0.093 0.000 0.819 523 A HN 0.680 nan 8.150 nan 0.000 0.448 524 D N -0.308 120.053 120.400 -0.066 0.000 2.117 524 D HA -0.077 4.563 4.640 -0.000 0.000 0.198 524 D C 1.999 178.267 176.300 -0.054 0.000 0.982 524 D CA 0.994 54.956 54.000 -0.063 0.000 0.828 524 D CB -0.298 40.454 40.800 -0.080 0.000 0.967 524 D HN 0.446 nan 8.370 nan 0.000 0.464 525 L N 0.484 121.679 121.223 -0.047 0.000 2.042 525 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 525 L C 2.512 179.375 176.870 -0.012 0.000 1.076 525 L CA 0.854 55.681 54.840 -0.021 0.000 0.749 525 L CB -0.247 41.822 42.059 0.016 0.000 0.893 525 L HN 0.037 nan 8.230 nan 0.000 0.432 526 I N -0.826 119.724 120.570 -0.034 0.000 2.193 526 I HA -0.234 3.936 4.170 -0.000 0.000 0.240 526 I C 2.486 178.590 176.117 -0.021 0.000 1.084 526 I CA 1.057 62.334 61.300 -0.039 0.000 1.365 526 I CB -0.303 37.615 38.000 -0.137 0.000 1.064 526 I HN 0.148 nan 8.210 nan 0.000 0.410 527 R N 0.103 120.575 120.500 -0.047 0.000 2.303 527 R HA -0.130 4.210 4.340 -0.000 0.000 0.225 527 R C 2.295 178.598 176.300 0.005 0.000 1.114 527 R CA 1.175 57.267 56.100 -0.013 0.000 1.007 527 R CB -0.432 29.852 30.300 -0.026 0.000 0.861 527 R HN 0.357 nan 8.270 nan 0.000 0.471 528 S N 0.706 116.405 115.700 -0.001 0.000 2.355 528 S HA 0.012 4.482 4.470 -0.000 0.000 0.216 528 S C 2.099 176.710 174.600 0.019 0.000 1.037 528 S CA 0.674 58.876 58.200 0.003 0.000 0.955 528 S CB 0.001 63.195 63.200 -0.009 0.000 0.877 528 S HN 0.383 nan 8.310 nan 0.000 0.488 529 A N 1.149 123.985 122.820 0.028 0.000 2.024 529 A HA 0.111 4.431 4.320 -0.000 0.000 0.220 529 A C 0.932 178.547 177.584 0.052 0.000 1.164 529 A CA 1.090 53.152 52.037 0.041 0.000 0.643 529 A CB -0.546 18.485 19.000 0.051 0.000 0.806 529 A HN 0.696 nan 8.150 nan 0.000 0.451 530 R N 0.000 120.537 120.500 0.062 0.000 2.786 530 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 530 R CA 0.000 56.144 56.100 0.074 0.000 0.921 530 R CB 0.000 30.331 30.300 0.051 0.000 0.687 530 R HN 0.000 nan 8.270 nan 0.000 0.535