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 3nif_1_B DATA FIRST_RESID 1 DATA SEQUENCE GPNIcTTRGV SScQQcLAVS PMcAWcSDEA LPLGSPRcDL KENLLKDNcA DATA SEQUENCE PESIEFPVSE ARVLEDRPLS DKGSGDSSQV TQVSPQRIAL RLRPDDSKNF DATA SEQUENCE SIQVRQVEDY PVDIYYLMDL SYSMKDDLWS IQNLGTKLAT QMRKLTSNLR DATA SEQUENCE IGFGAFVDKP VSPYMYISPP EALENPcYDM KTTcLPMFGY KHVLTLTDQV DATA SEQUENCE TRFNEEVKKQ SVSRNRDAPE GGFDAIMQAT VcDEKIGWRN DASHLLVFTT DATA SEQUENCE DAKTHIALDG RLAGIVQPND GQcHVGSDNH YSASTTMDYP SLGLMTEKLS DATA SEQUENCE QKNINLIFAV TENVVNLYQN YSELIPGTTV GVLSMDSSNV LQLIVDAYGK DATA SEQUENCE IRSKVELEVR DLPEELSLSF NATcLNNEVI PGLKScMGLK IGDTVSFSIE DATA SEQUENCE AKVRGcPQEK EKSFTIKPVG FKDSLIVQVT FDcDcAcQAQ AEPNSHRcNN DATA SEQUENCE GNGTFEcGVc RCGPGW 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.894 174.900 -0.010 0.000 0.946 1 G CA 0.000 45.094 45.100 -0.011 0.000 0.502 2 P HA 0.197 nan 4.420 nan 0.000 0.264 2 P C -0.142 177.157 177.300 -0.002 0.000 1.236 2 P CA -0.277 62.820 63.100 -0.006 0.000 0.811 2 P CB 0.226 31.924 31.700 -0.004 0.000 0.840 3 N N 3.431 122.131 118.700 -0.001 0.000 2.418 3 N HA 0.064 4.804 4.740 -0.000 0.000 0.283 3 N C 1.319 176.836 175.510 0.012 0.000 1.267 3 N CA -0.640 52.413 53.050 0.005 0.000 0.975 3 N CB 0.684 39.174 38.487 0.005 0.000 1.167 3 N HN 0.316 nan 8.380 nan 0.000 0.581 4 I N -2.513 118.068 120.570 0.018 0.000 2.361 4 I HA -0.183 3.987 4.170 -0.000 0.000 0.251 4 I C 1.774 177.910 176.117 0.032 0.000 1.133 4 I CA 0.863 62.176 61.300 0.023 0.000 1.413 4 I CB -0.662 37.353 38.000 0.025 0.000 1.073 4 I HN 0.282 nan 8.210 nan 0.000 0.424 5 c N 1.083 119.706 118.600 0.037 0.000 2.413 5 c HA -0.183 4.387 4.570 -0.000 0.000 0.277 5 c C 3.094 177.212 174.090 0.046 0.000 1.228 5 c CA 1.964 58.324 56.329 0.052 0.000 1.731 5 c CB -1.484 41.059 42.510 0.054 0.000 2.042 5 c HN 0.671 nan 8.230 nan 0.000 0.468 6 T N 0.345 114.914 114.554 0.025 0.000 2.851 6 T HA -0.120 4.230 4.350 -0.000 0.000 0.262 6 T C 1.842 176.551 174.700 0.016 0.000 1.043 6 T CA 2.321 64.429 62.100 0.014 0.000 1.140 6 T CB -0.476 68.389 68.868 -0.005 0.000 0.872 6 T HN 0.749 nan 8.240 nan 0.000 0.446 7 T N -0.429 114.134 114.554 0.015 0.000 2.962 7 T HA -0.025 4.325 4.350 -0.000 0.000 0.270 7 T C 2.008 176.719 174.700 0.019 0.000 1.088 7 T CA 0.988 63.096 62.100 0.013 0.000 1.127 7 T CB -0.372 68.502 68.868 0.011 0.000 0.883 7 T HN 0.217 nan 8.240 nan 0.000 0.493 8 R N 2.206 122.722 120.500 0.027 0.000 2.148 8 R HA 0.173 4.513 4.340 -0.000 0.000 0.227 8 R C 1.562 177.883 176.300 0.034 0.000 1.103 8 R CA 0.926 57.044 56.100 0.030 0.000 0.983 8 R CB -1.123 29.199 30.300 0.037 0.000 0.874 8 R HN 0.608 nan 8.270 nan 0.000 0.451 9 G N 0.756 109.580 108.800 0.040 0.000 2.353 9 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.294 9 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.294 9 G C 0.058 174.996 174.900 0.063 0.000 1.077 9 G CA 0.244 45.370 45.100 0.044 0.000 1.098 9 G HN 0.599 nan 8.290 nan 0.000 0.511 10 V N -1.800 118.172 119.914 0.096 0.000 3.051 10 V HA 0.736 4.856 4.120 -0.000 0.000 0.306 10 V C 1.192 177.370 176.094 0.141 0.000 1.083 10 V CA 0.778 63.146 62.300 0.114 0.000 1.104 10 V CB 1.543 33.456 31.823 0.150 0.000 1.027 10 V HN 0.519 nan 8.190 nan 0.000 0.483 11 S N 1.269 117.020 115.700 0.085 0.000 2.503 11 S HA 0.244 4.714 4.470 -0.000 0.000 0.215 11 S C 0.672 175.293 174.600 0.035 0.000 1.003 11 S CA 0.373 58.614 58.200 0.069 0.000 0.910 11 S CB -0.132 63.081 63.200 0.021 0.000 0.790 11 S HN 1.323 nan 8.310 nan 0.000 0.514 12 S N -1.153 114.492 115.700 -0.092 0.000 2.643 12 S HA 0.328 4.798 4.470 -0.000 0.000 0.270 12 S C 0.522 174.542 174.600 -0.968 0.000 1.166 12 S CA -0.453 57.482 58.200 -0.441 0.000 0.815 12 S CB 0.770 63.790 63.200 -0.300 0.000 1.139 12 S HN 0.095 nan 8.310 nan 0.000 0.472 13 c N 0.422 118.138 118.600 -1.474 0.000 2.440 13 c HA -0.020 4.550 4.570 -0.000 0.000 0.278 13 c C 2.629 176.376 174.090 -0.571 0.000 1.295 13 c CA 1.709 57.150 56.329 -1.481 0.000 1.738 13 c CB -1.495 40.187 42.510 -1.381 0.000 1.987 13 c HN 0.928 nan 8.230 nan 0.000 0.492 14 Q N -0.073 119.485 119.800 -0.404 0.000 2.020 14 Q HA -0.242 4.098 4.340 -0.000 0.000 0.202 14 Q C 2.276 178.189 176.000 -0.145 0.000 0.982 14 Q CA 1.913 57.588 55.803 -0.212 0.000 0.838 14 Q CB -0.331 28.308 28.738 -0.165 0.000 0.899 14 Q HN 0.747 nan 8.270 nan 0.000 0.423 15 Q N -0.415 119.298 119.800 -0.146 0.000 2.170 15 Q HA -0.180 4.160 4.340 -0.000 0.000 0.203 15 Q C 2.420 178.409 176.000 -0.018 0.000 0.976 15 Q CA 1.326 57.089 55.803 -0.068 0.000 0.858 15 Q CB -0.352 28.356 28.738 -0.051 0.000 0.907 15 Q HN 0.495 nan 8.270 nan 0.000 0.433 16 c N 0.619 119.211 118.600 -0.013 0.000 2.432 16 c HA -0.128 4.442 4.570 -0.000 0.000 0.277 16 c C 2.423 176.567 174.090 0.091 0.000 1.249 16 c CA 0.698 57.095 56.329 0.113 0.000 1.725 16 c CB -0.971 41.718 42.510 0.299 0.000 2.028 16 c HN 0.503 nan 8.230 nan 0.000 0.477 17 L N 1.283 122.533 121.223 0.045 0.000 2.083 17 L HA -0.059 4.281 4.340 -0.000 0.000 0.209 17 L C 2.951 179.839 176.870 0.030 0.000 1.083 17 L CA 1.570 56.438 54.840 0.047 0.000 0.752 17 L CB -0.837 41.228 42.059 0.011 0.000 0.899 17 L HN 0.452 nan 8.230 nan 0.000 0.433 18 A N -0.479 122.346 122.820 0.008 0.000 2.172 18 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 18 A C 2.270 179.863 177.584 0.015 0.000 1.154 18 A CA 0.866 52.904 52.037 0.002 0.000 0.701 18 A CB -0.462 18.528 19.000 -0.016 0.000 0.789 18 A HN 0.212 nan 8.150 nan 0.000 0.465 19 V N -1.137 118.797 119.914 0.033 0.000 2.323 19 V HA 0.016 4.136 4.120 -0.000 0.000 0.244 19 V C 1.197 177.315 176.094 0.041 0.000 1.041 19 V CA 1.784 64.107 62.300 0.038 0.000 1.025 19 V CB -0.217 31.638 31.823 0.053 0.000 0.656 19 V HN 0.549 nan 8.190 nan 0.000 0.451 20 S N -2.414 113.320 115.700 0.055 0.000 2.543 20 S HA 0.397 4.867 4.470 -0.000 0.000 0.274 20 S C -2.634 172.012 174.600 0.077 0.000 1.149 20 S CA -0.658 57.578 58.200 0.059 0.000 0.866 20 S CB 1.908 65.146 63.200 0.063 0.000 1.111 20 S HN 0.018 nan 8.310 nan 0.000 0.457 21 P HA 0.016 nan 4.420 nan 0.000 0.228 21 P C 1.130 178.515 177.300 0.143 0.000 1.151 21 P CA 0.770 63.903 63.100 0.055 0.000 0.770 21 P CB -0.133 31.583 31.700 0.027 0.000 0.786 22 M N -3.793 115.923 119.600 0.194 0.000 2.495 22 M HA 0.191 4.671 4.480 -0.000 0.000 0.237 22 M C -0.244 176.241 176.300 0.308 0.000 1.131 22 M CA 0.308 55.787 55.300 0.299 0.000 1.032 22 M CB -0.594 32.101 32.600 0.159 0.000 1.513 22 M HN -0.270 nan 8.290 nan 0.000 0.488 23 c N 2.731 121.496 118.600 0.274 0.000 2.466 23 c HA 0.855 5.425 4.570 -0.000 0.000 0.379 23 c C 0.846 175.147 174.090 0.352 0.000 1.251 23 c CA -0.490 55.973 56.329 0.223 0.000 2.263 23 c CB 0.685 43.294 42.510 0.165 0.000 2.511 23 c HN 0.641 nan 8.230 nan 0.000 0.573 24 A N 2.935 125.898 122.820 0.239 0.000 2.479 24 A HA 0.887 5.207 4.320 -0.000 0.000 0.296 24 A C -1.440 176.300 177.584 0.260 0.000 1.121 24 A CA -0.415 51.794 52.037 0.286 0.000 0.743 24 A CB 1.350 20.399 19.000 0.082 0.000 1.323 24 A HN 0.959 nan 8.150 nan 0.000 0.415 25 W N 1.013 122.353 121.300 0.067 0.000 2.819 25 W HA 0.548 5.208 4.660 -0.000 0.000 0.337 25 W C -1.574 174.955 176.519 0.016 0.000 1.077 25 W CA -0.813 56.549 57.345 0.028 0.000 1.226 25 W CB 1.791 31.264 29.460 0.022 0.000 1.419 25 W HN 0.863 nan 8.180 nan 0.000 0.502 26 c N 4.299 122.613 118.600 -0.476 0.000 2.298 26 c HA 0.460 5.030 4.570 -0.000 0.000 0.323 26 c C 1.087 174.982 174.090 -0.324 0.000 1.284 26 c CA -0.165 55.990 56.329 -0.289 0.000 1.577 26 c CB 0.643 42.987 42.510 -0.277 0.000 2.249 26 c HN 0.635 nan 8.230 nan 0.000 0.497 27 S N 2.413 118.132 115.700 0.032 0.000 2.548 27 S HA 0.008 4.478 4.470 -0.000 0.000 0.215 27 S C 0.450 175.086 174.600 0.060 0.000 0.976 27 S CA -0.062 58.220 58.200 0.137 0.000 0.908 27 S CB -0.331 62.986 63.200 0.195 0.000 0.781 27 S HN 0.933 nan 8.310 nan 0.000 0.519 28 D N 2.496 122.901 120.400 0.008 0.000 2.648 28 D HA -0.082 4.558 4.640 -0.000 0.000 0.229 28 D C 1.004 177.329 176.300 0.041 0.000 1.119 28 D CA 0.442 54.453 54.000 0.019 0.000 0.850 28 D CB 0.577 41.368 40.800 -0.016 0.000 1.169 28 D HN 0.161 nan 8.370 nan 0.000 0.489 29 E N 2.388 122.634 120.200 0.077 0.000 2.051 29 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 29 E C 0.468 177.102 176.600 0.057 0.000 0.991 29 E CA 0.917 57.379 56.400 0.103 0.000 0.799 29 E CB -0.054 29.703 29.700 0.095 0.000 0.748 29 E HN 0.495 nan 8.360 nan 0.000 0.449 30 A N 1.714 124.551 122.820 0.028 0.000 3.094 30 A HA 0.321 4.641 4.320 -0.000 0.000 0.288 30 A C -0.360 177.218 177.584 -0.010 0.000 1.519 30 A CA -0.269 51.774 52.037 0.010 0.000 1.227 30 A CB -0.372 18.632 19.000 0.007 0.000 1.175 30 A HN 0.051 nan 8.150 nan 0.000 0.568 31 L N 2.388 123.599 121.223 -0.021 0.000 2.317 31 L HA 0.619 4.959 4.340 -0.000 0.000 0.281 31 L C -2.115 174.732 176.870 -0.038 0.000 1.024 31 L CA -1.618 53.194 54.840 -0.047 0.000 0.810 31 L CB 0.837 42.845 42.059 -0.084 0.000 1.240 31 L HN 0.321 nan 8.230 nan 0.000 0.427 32 P HA 0.002 nan 4.420 nan 0.000 0.269 32 P C 1.216 178.498 177.300 -0.030 0.000 1.200 32 P CA -0.096 62.985 63.100 -0.032 0.000 0.779 32 P CB 0.452 32.131 31.700 -0.036 0.000 0.841 33 L N 0.288 121.498 121.223 -0.022 0.000 2.143 33 L HA -0.271 4.069 4.340 -0.000 0.000 0.231 33 L C 1.496 178.353 176.870 -0.022 0.000 1.106 33 L CA 2.263 57.092 54.840 -0.018 0.000 0.827 33 L CB -1.030 41.020 42.059 -0.015 0.000 0.915 33 L HN 0.715 nan 8.230 nan 0.000 0.448 34 G N -1.629 107.154 108.800 -0.028 0.000 4.973 34 G HA2 0.297 4.257 3.960 -0.000 0.000 0.211 34 G HA3 0.297 4.257 3.960 -0.000 0.000 0.211 34 G C -0.541 174.333 174.900 -0.043 0.000 0.784 34 G CA -0.383 44.697 45.100 -0.032 0.000 0.657 34 G HN 0.054 nan 8.290 nan 0.000 0.480 35 S N 1.980 117.645 115.700 -0.058 0.000 2.584 35 S HA 0.580 5.050 4.470 -0.000 0.000 0.273 35 S C -1.901 172.641 174.600 -0.097 0.000 1.311 35 S CA -0.690 57.468 58.200 -0.070 0.000 1.034 35 S CB 1.450 64.605 63.200 -0.076 0.000 0.939 35 S HN 0.406 nan 8.310 nan 0.000 0.513 36 P HA 0.271 nan 4.420 nan 0.000 0.276 36 P C 0.053 177.239 177.300 -0.190 0.000 1.235 36 P CA -0.318 62.716 63.100 -0.109 0.000 0.772 36 P CB 0.701 32.361 31.700 -0.067 0.000 0.871 37 R N 1.105 121.424 120.500 -0.302 0.000 2.161 37 R HA 0.053 4.393 4.340 -0.000 0.000 0.213 37 R C 0.521 176.538 176.300 -0.472 0.000 1.055 37 R CA 0.496 56.231 56.100 -0.609 0.000 0.996 37 R CB -0.087 29.479 30.300 -1.224 0.000 0.901 37 R HN 0.461 nan 8.270 nan 0.000 0.456 38 c N 1.899 120.406 118.600 -0.155 0.000 2.239 38 c HA 0.402 4.972 4.570 -0.000 0.000 0.325 38 c C -0.608 173.489 174.090 0.011 0.000 1.231 38 c CA -0.487 55.875 56.329 0.055 0.000 1.652 38 c CB -0.276 42.360 42.510 0.209 0.000 2.284 38 c HN 0.341 nan 8.230 nan 0.000 0.499 39 D N 2.736 123.137 120.400 0.003 0.000 2.692 39 D HA 0.307 4.947 4.640 -0.000 0.000 0.290 39 D C -0.995 175.287 176.300 -0.030 0.000 1.281 39 D CA -0.412 53.577 54.000 -0.019 0.000 0.804 39 D CB 1.251 42.018 40.800 -0.054 0.000 1.331 39 D HN 0.459 nan 8.370 nan 0.000 0.432 40 L N 1.856 123.050 121.223 -0.049 0.000 2.506 40 L HA 0.094 4.434 4.340 -0.000 0.000 0.281 40 L C 2.077 178.846 176.870 -0.167 0.000 1.228 40 L CA 0.244 55.025 54.840 -0.098 0.000 0.850 40 L CB 0.476 42.489 42.059 -0.077 0.000 1.110 40 L HN 0.486 nan 8.230 nan 0.000 0.496 41 K N 1.548 121.759 120.400 -0.316 0.000 2.152 41 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 41 K C 1.494 177.970 176.600 -0.206 0.000 1.048 41 K CA 1.668 57.746 56.287 -0.348 0.000 0.933 41 K CB 0.233 32.341 32.500 -0.653 0.000 0.721 41 K HN 0.610 nan 8.250 nan 0.000 0.447 42 E N 0.443 120.541 120.200 -0.170 0.000 2.106 42 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 42 E C 1.614 178.163 176.600 -0.085 0.000 0.984 42 E CA 1.283 57.619 56.400 -0.107 0.000 0.806 42 E CB -0.088 29.562 29.700 -0.082 0.000 0.750 42 E HN 0.322 nan 8.360 nan 0.000 0.458 43 N N -0.058 118.590 118.700 -0.086 0.000 2.331 43 N HA -0.025 4.715 4.740 -0.000 0.000 0.180 43 N C 1.570 177.034 175.510 -0.077 0.000 1.019 43 N CA 0.644 53.651 53.050 -0.071 0.000 0.881 43 N CB -0.002 38.447 38.487 -0.063 0.000 0.972 43 N HN 0.159 nan 8.380 nan 0.000 0.435 44 L N 0.051 121.219 121.223 -0.093 0.000 2.068 44 L HA 0.013 4.353 4.340 -0.000 0.000 0.204 44 L C 2.043 178.866 176.870 -0.078 0.000 1.076 44 L CA 0.649 55.432 54.840 -0.094 0.000 0.753 44 L CB -0.387 41.608 42.059 -0.106 0.000 0.910 44 L HN 0.104 nan 8.230 nan 0.000 0.439 45 L N 0.058 121.237 121.223 -0.074 0.000 2.046 45 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 45 L C 2.639 179.481 176.870 -0.047 0.000 1.077 45 L CA 1.384 56.190 54.840 -0.056 0.000 0.747 45 L CB -0.430 41.596 42.059 -0.055 0.000 0.896 45 L HN 0.253 nan 8.230 nan 0.000 0.432 46 K N 0.050 120.421 120.400 -0.049 0.000 2.283 46 K HA -0.164 4.156 4.320 -0.000 0.000 0.202 46 K C 0.430 177.006 176.600 -0.040 0.000 1.048 46 K CA 1.260 57.523 56.287 -0.041 0.000 0.948 46 K CB 0.105 32.581 32.500 -0.040 0.000 0.742 46 K HN 0.236 nan 8.250 nan 0.000 0.458 47 D N 0.782 121.153 120.400 -0.048 0.000 2.370 47 D HA 0.045 4.685 4.640 -0.000 0.000 0.230 47 D C -0.698 175.574 176.300 -0.046 0.000 1.143 47 D CA 0.093 54.064 54.000 -0.049 0.000 0.834 47 D CB 0.148 40.912 40.800 -0.060 0.000 0.944 47 D HN 0.189 nan 8.370 nan 0.000 0.504 48 N N -0.708 117.969 118.700 -0.040 0.000 2.776 48 N HA -0.198 4.542 4.740 -0.000 0.000 0.250 48 N C -0.451 175.038 175.510 -0.035 0.000 1.112 48 N CA 0.303 53.334 53.050 -0.032 0.000 0.733 48 N CB -2.215 36.256 38.487 -0.027 0.000 1.097 48 N HN 0.365 nan 8.380 nan 0.000 0.558 49 c N 0.822 119.395 118.600 -0.045 0.000 2.585 49 c HA 0.690 5.260 4.570 -0.000 0.000 0.406 49 c C 1.403 175.477 174.090 -0.026 0.000 1.312 49 c CA -0.251 56.051 56.329 -0.045 0.000 1.924 49 c CB -0.965 41.505 42.510 -0.067 0.000 2.578 49 c HN 0.551 nan 8.230 nan 0.000 0.580 50 A N 7.742 130.554 122.820 -0.013 0.000 2.498 50 A HA 0.363 4.683 4.320 -0.000 0.000 0.239 50 A C -1.186 176.402 177.584 0.006 0.000 1.068 50 A CA -0.632 51.405 52.037 0.000 0.000 0.766 50 A CB -0.108 18.898 19.000 0.010 0.000 1.003 50 A HN 0.802 nan 8.150 nan 0.000 0.497 51 P HA -0.147 nan 4.420 nan 0.000 0.217 51 P C 0.609 177.927 177.300 0.030 0.000 1.148 51 P CA 1.562 64.672 63.100 0.016 0.000 0.828 51 P CB 0.169 31.877 31.700 0.014 0.000 0.783 52 E N -1.389 118.830 120.200 0.032 0.000 2.435 52 E HA 0.031 4.381 4.350 -0.000 0.000 0.195 52 E C 1.466 178.098 176.600 0.054 0.000 1.029 52 E CA 0.526 56.951 56.400 0.041 0.000 0.865 52 E CB -0.442 29.280 29.700 0.037 0.000 0.833 52 E HN 0.164 nan 8.360 nan 0.000 0.510 53 S N 0.185 115.915 115.700 0.051 0.000 2.575 53 S HA 0.201 4.671 4.470 -0.000 0.000 0.215 53 S C 0.674 175.326 174.600 0.086 0.000 0.966 53 S CA -0.151 58.089 58.200 0.065 0.000 0.911 53 S CB 0.186 63.410 63.200 0.041 0.000 0.780 53 S HN 0.164 nan 8.310 nan 0.000 0.514 54 I N 3.092 123.709 120.570 0.079 0.000 2.379 54 I HA 0.144 4.314 4.170 -0.000 0.000 0.290 54 I C -0.114 176.099 176.117 0.160 0.000 1.063 54 I CA -0.128 61.235 61.300 0.104 0.000 1.351 54 I CB 0.579 38.621 38.000 0.071 0.000 1.410 54 I HN -0.029 nan 8.210 nan 0.000 0.505 55 E N 7.170 127.501 120.200 0.219 0.000 2.081 55 E HA 0.271 4.621 4.350 -0.000 0.000 0.281 55 E C -1.052 175.731 176.600 0.306 0.000 0.986 55 E CA -0.310 56.223 56.400 0.222 0.000 0.796 55 E CB 1.726 31.552 29.700 0.210 0.000 1.085 55 E HN 0.398 nan 8.360 nan 0.000 0.398 56 F N 4.702 124.692 119.950 0.065 0.000 3.282 56 F HA 0.279 4.806 4.527 -0.000 0.000 0.398 56 F C -2.610 173.213 175.800 0.038 0.000 1.205 56 F CA -2.052 55.980 58.000 0.054 0.000 1.273 56 F CB 0.926 39.955 39.000 0.048 0.000 2.153 56 F HN 0.138 nan 8.300 nan 0.000 0.680 57 P HA 0.344 nan 4.420 nan 0.000 0.271 57 P C -0.996 176.011 177.300 -0.488 0.000 1.216 57 P CA -0.143 62.801 63.100 -0.261 0.000 0.776 57 P CB 1.373 32.988 31.700 -0.142 0.000 0.881 58 V N 2.224 121.940 119.914 -0.330 0.000 2.513 58 V HA 0.252 4.372 4.120 -0.000 0.000 0.299 58 V C 0.323 176.327 176.094 -0.150 0.000 1.035 58 V CA -0.583 61.543 62.300 -0.290 0.000 0.889 58 V CB 1.821 33.533 31.823 -0.184 0.000 0.988 58 V HN 0.522 nan 8.190 nan 0.000 0.440 59 S N 3.947 119.578 115.700 -0.114 0.000 2.562 59 S HA 0.413 4.883 4.470 -0.000 0.000 0.281 59 S C -0.102 174.473 174.600 -0.041 0.000 1.333 59 S CA -0.413 57.751 58.200 -0.060 0.000 1.052 59 S CB 0.292 63.474 63.200 -0.030 0.000 0.884 59 S HN 0.943 nan 8.310 nan 0.000 0.506 60 E N -0.008 120.171 120.200 -0.036 0.000 2.412 60 E HA 0.699 5.049 4.350 -0.000 0.000 0.279 60 E C -1.737 174.844 176.600 -0.031 0.000 0.984 60 E CA -1.395 54.989 56.400 -0.026 0.000 0.788 60 E CB 1.599 31.279 29.700 -0.034 0.000 1.277 60 E HN 0.505 nan 8.360 nan 0.000 0.455 61 A N 2.272 125.082 122.820 -0.017 0.000 2.466 61 A HA 0.535 4.855 4.320 -0.000 0.000 0.291 61 A C -0.639 176.919 177.584 -0.043 0.000 1.234 61 A CA -0.817 51.196 52.037 -0.041 0.000 0.752 61 A CB 0.533 19.552 19.000 0.031 0.000 1.153 61 A HN 0.637 nan 8.150 nan 0.000 0.458 62 R N 1.305 121.761 120.500 -0.073 0.000 2.589 62 R HA 0.726 5.066 4.340 -0.000 0.000 0.293 62 R C -0.438 175.815 176.300 -0.079 0.000 0.963 62 R CA -0.560 55.505 56.100 -0.059 0.000 0.905 62 R CB 1.534 31.804 30.300 -0.050 0.000 1.144 62 R HN 0.660 nan 8.270 nan 0.000 0.459 63 V N 2.574 122.454 119.914 -0.056 0.000 2.649 63 V HA 0.223 4.343 4.120 -0.000 0.000 0.292 63 V C 0.591 176.650 176.094 -0.058 0.000 1.055 63 V CA -0.347 61.917 62.300 -0.060 0.000 1.023 63 V CB 0.860 32.664 31.823 -0.032 0.000 0.992 63 V HN 0.937 nan 8.190 nan 0.000 0.480 64 L N 1.957 123.139 121.223 -0.068 0.000 2.445 64 L HA 0.464 4.804 4.340 -0.000 0.000 0.207 64 L C 0.859 177.703 176.870 -0.043 0.000 1.053 64 L CA 0.431 55.237 54.840 -0.058 0.000 0.841 64 L CB 0.166 42.181 42.059 -0.073 0.000 1.074 64 L HN 0.741 nan 8.230 nan 0.000 0.479 65 E N 1.161 121.334 120.200 -0.044 0.000 2.241 65 E HA 0.212 4.562 4.350 -0.000 0.000 0.263 65 E C -1.287 175.301 176.600 -0.021 0.000 0.882 65 E CA -0.275 56.108 56.400 -0.029 0.000 0.769 65 E CB 1.637 31.320 29.700 -0.028 0.000 1.185 65 E HN 0.090 nan 8.360 nan 0.000 0.415 66 D N 2.888 123.283 120.400 -0.010 0.000 2.945 66 D HA 0.099 4.739 4.640 -0.000 0.000 0.340 66 D C -0.380 175.924 176.300 0.006 0.000 1.240 66 D CA -0.619 53.381 54.000 0.000 0.000 0.749 66 D CB 0.057 40.858 40.800 0.002 0.000 1.217 66 D HN 0.156 nan 8.370 nan 0.000 0.514 67 R N 1.409 121.914 120.500 0.008 0.000 2.640 67 R HA 0.218 4.558 4.340 -0.000 0.000 0.270 67 R C -1.982 174.329 176.300 0.018 0.000 1.024 67 R CA -0.722 55.386 56.100 0.013 0.000 1.085 67 R CB 0.131 30.440 30.300 0.015 0.000 0.963 67 R HN 0.252 nan 8.270 nan 0.000 0.426 68 P HA 0.005 nan 4.420 nan 0.000 0.272 68 P C -0.317 176.998 177.300 0.026 0.000 1.223 68 P CA -0.110 63.003 63.100 0.020 0.000 0.784 68 P CB 0.574 32.284 31.700 0.017 0.000 0.923 69 L N 1.364 122.604 121.223 0.028 0.000 2.540 69 L HA 0.024 4.364 4.340 -0.000 0.000 0.276 69 L C 1.111 178.000 176.870 0.032 0.000 1.212 69 L CA 0.232 55.092 54.840 0.034 0.000 0.893 69 L CB -0.310 41.769 42.059 0.034 0.000 1.138 69 L HN 0.390 nan 8.230 nan 0.000 0.491 70 S N 1.711 117.433 115.700 0.037 0.000 2.562 70 S HA 0.012 4.482 4.470 -0.000 0.000 0.281 70 S C 0.527 175.148 174.600 0.035 0.000 1.333 70 S CA -0.759 57.464 58.200 0.038 0.000 1.052 70 S CB 1.040 64.270 63.200 0.050 0.000 0.884 70 S HN 0.554 nan 8.310 nan 0.000 0.506 71 D N 1.169 121.588 120.400 0.033 0.000 2.183 71 D HA 0.055 4.695 4.640 -0.000 0.000 0.205 71 D C 0.194 176.516 176.300 0.037 0.000 0.962 71 D CA 1.111 55.129 54.000 0.030 0.000 0.849 71 D CB 0.262 41.076 40.800 0.024 0.000 0.978 71 D HN 0.302 nan 8.370 nan 0.000 0.488 72 K N -0.003 120.423 120.400 0.043 0.000 2.259 72 K HA 0.510 4.830 4.320 -0.000 0.000 0.252 72 K C 0.764 177.410 176.600 0.077 0.000 0.936 72 K CA -0.574 55.745 56.287 0.054 0.000 0.810 72 K CB 2.216 34.741 32.500 0.041 0.000 1.143 72 K HN -0.048 nan 8.250 nan 0.000 0.427 73 G N 0.257 109.126 108.800 0.114 0.000 2.986 73 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.213 73 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.213 73 G C -0.001 174.957 174.900 0.097 0.000 1.156 73 G CA -0.031 45.188 45.100 0.198 0.000 0.763 73 G HN 0.405 nan 8.290 nan 0.000 0.547 74 S N 0.004 115.731 115.700 0.046 0.000 2.293 74 S HA 0.498 4.968 4.470 -0.000 0.000 0.154 74 S C 0.639 175.243 174.600 0.006 0.000 1.602 74 S CA -0.054 58.144 58.200 -0.003 0.000 1.260 74 S CB 0.725 63.910 63.200 -0.024 0.000 1.270 74 S HN 1.133 nan 8.310 nan 0.000 0.416 75 G N 2.040 110.846 108.800 0.011 0.000 2.165 75 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.226 75 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.226 75 G C -0.436 174.465 174.900 0.001 0.000 1.035 75 G CA -0.629 44.481 45.100 0.017 0.000 0.744 75 G HN 0.546 nan 8.290 nan 0.000 0.501 76 D N 0.103 120.500 120.400 -0.006 0.000 2.364 76 D HA 0.397 5.037 4.640 -0.000 0.000 0.236 76 D C 1.564 177.861 176.300 -0.004 0.000 1.221 76 D CA 1.758 55.751 54.000 -0.012 0.000 0.891 76 D CB 0.822 41.616 40.800 -0.010 0.000 1.190 76 D HN 1.277 nan 8.370 nan 0.000 0.449 77 S N -0.069 115.627 115.700 -0.007 0.000 1.811 77 S HA -0.344 4.126 4.470 -0.000 0.000 0.234 77 S C 0.839 175.441 174.600 0.004 0.000 0.947 77 S CA 1.729 59.929 58.200 0.000 0.000 1.485 77 S CB -1.563 61.641 63.200 0.006 0.000 1.892 77 S HN 1.225 nan 8.310 nan 0.000 0.542 78 S N 0.338 116.041 115.700 0.006 0.000 4.044 78 S HA -0.099 4.371 4.470 -0.000 0.000 0.371 78 S C -0.263 174.361 174.600 0.040 0.000 0.977 78 S CA 0.820 59.030 58.200 0.017 0.000 1.092 78 S CB -1.283 61.913 63.200 -0.006 0.000 0.845 78 S HN 0.921 nan 8.310 nan 0.000 0.496 79 Q N 1.177 121.000 119.800 0.038 0.000 2.735 79 Q HA 0.328 4.668 4.340 -0.000 0.000 0.380 79 Q C 0.128 176.160 176.000 0.053 0.000 1.060 79 Q CA -0.032 55.796 55.803 0.042 0.000 1.025 79 Q CB 0.508 29.263 28.738 0.029 0.000 1.350 79 Q HN 0.484 nan 8.270 nan 0.000 0.424 80 V N 0.932 120.893 119.914 0.078 0.000 2.686 80 V HA 0.337 4.457 4.120 -0.000 0.000 0.295 80 V C 0.513 176.653 176.094 0.077 0.000 1.057 80 V CA -0.048 62.308 62.300 0.092 0.000 1.012 80 V CB 1.658 33.580 31.823 0.165 0.000 1.006 80 V HN 0.273 nan 8.190 nan 0.000 0.477 81 T N 4.460 119.051 114.554 0.061 0.000 2.815 81 T HA 0.368 4.718 4.350 -0.000 0.000 0.289 81 T C 0.344 175.077 174.700 0.056 0.000 1.000 81 T CA -0.407 61.726 62.100 0.055 0.000 0.958 81 T CB 1.428 70.323 68.868 0.045 0.000 0.944 81 T HN 0.745 nan 8.240 nan 0.000 0.442 82 Q N 1.292 121.137 119.800 0.074 0.000 2.214 82 Q HA 0.311 4.651 4.340 -0.000 0.000 0.229 82 Q C -0.160 175.931 176.000 0.153 0.000 0.835 82 Q CA 0.034 55.907 55.803 0.117 0.000 0.953 82 Q CB 1.210 30.032 28.738 0.141 0.000 1.131 82 Q HN 0.371 nan 8.270 nan 0.000 0.501 83 V N 0.494 120.473 119.914 0.109 0.000 2.577 83 V HA 0.447 4.567 4.120 -0.000 0.000 0.303 83 V C -0.938 175.192 176.094 0.059 0.000 1.042 83 V CA -0.630 61.718 62.300 0.080 0.000 0.872 83 V CB 1.946 33.809 31.823 0.067 0.000 0.998 83 V HN -0.046 nan 8.190 nan 0.000 0.423 84 S N 6.435 122.169 115.700 0.057 0.000 2.538 84 S HA 0.751 5.221 4.470 -0.000 0.000 0.288 84 S C -2.802 171.832 174.600 0.057 0.000 1.108 84 S CA -1.360 56.867 58.200 0.046 0.000 0.971 84 S CB 2.503 65.726 63.200 0.039 0.000 1.041 84 S HN 0.569 nan 8.310 nan 0.000 0.483 85 P HA 0.337 nan 4.420 nan 0.000 0.277 85 P C -0.419 176.886 177.300 0.008 0.000 1.271 85 P CA -0.201 62.910 63.100 0.020 0.000 0.795 85 P CB 0.691 32.394 31.700 0.005 0.000 1.101 86 Q N -1.098 118.696 119.800 -0.009 0.000 2.373 86 Q HA 0.195 4.535 4.340 -0.000 0.000 0.210 86 Q C 0.784 176.752 176.000 -0.054 0.000 0.913 86 Q CA 0.842 56.634 55.803 -0.018 0.000 0.911 86 Q CB 0.455 29.189 28.738 -0.008 0.000 1.040 86 Q HN 0.351 nan 8.270 nan 0.000 0.521 87 R N 0.736 121.191 120.500 -0.073 0.000 2.515 87 R HA 0.480 4.820 4.340 -0.000 0.000 0.278 87 R C -1.641 174.576 176.300 -0.138 0.000 1.107 87 R CA -0.368 55.662 56.100 -0.117 0.000 0.945 87 R CB 0.955 31.198 30.300 -0.095 0.000 1.219 87 R HN 0.207 nan 8.270 nan 0.000 0.434 88 I N 0.157 120.600 120.570 -0.212 0.000 3.002 88 I HA 0.869 5.039 4.170 -0.000 0.000 0.310 88 I C -1.087 174.871 176.117 -0.264 0.000 1.087 88 I CA -1.144 60.017 61.300 -0.230 0.000 1.017 88 I CB 2.588 40.415 38.000 -0.290 0.000 1.226 88 I HN 0.619 nan 8.210 nan 0.000 0.443 89 A N 5.126 127.814 122.820 -0.221 0.000 2.285 89 A HA 0.689 5.009 4.320 -0.000 0.000 0.310 89 A C -0.787 176.671 177.584 -0.211 0.000 1.266 89 A CA -0.502 51.411 52.037 -0.205 0.000 0.832 89 A CB 0.587 19.500 19.000 -0.144 0.000 1.163 89 A HN 0.728 nan 8.150 nan 0.000 0.499 90 L N 2.427 123.503 121.223 -0.245 0.000 2.292 90 L HA 0.521 4.861 4.340 -0.000 0.000 0.284 90 L C 0.561 177.319 176.870 -0.187 0.000 1.065 90 L CA -0.393 54.326 54.840 -0.202 0.000 0.806 90 L CB 1.319 43.263 42.059 -0.192 0.000 1.175 90 L HN 0.812 nan 8.230 nan 0.000 0.431 91 R N 4.371 124.790 120.500 -0.136 0.000 2.437 91 R HA 0.685 5.025 4.340 -0.000 0.000 0.310 91 R C -1.669 174.577 176.300 -0.089 0.000 0.955 91 R CA -0.529 55.494 56.100 -0.129 0.000 0.851 91 R CB 1.106 31.349 30.300 -0.096 0.000 1.161 91 R HN 0.569 nan 8.270 nan 0.000 0.446 92 L N 5.293 126.469 121.223 -0.079 0.000 2.410 92 L HA 0.562 4.902 4.340 -0.000 0.000 0.270 92 L C -0.149 176.772 176.870 0.085 0.000 0.983 92 L CA -0.999 53.852 54.840 0.019 0.000 0.822 92 L CB 2.089 44.196 42.059 0.080 0.000 1.285 92 L HN 0.678 nan 8.230 nan 0.000 0.409 93 R N 2.090 122.614 120.500 0.041 0.000 2.549 93 R HA 0.636 4.976 4.340 -0.000 0.000 0.267 93 R C -2.692 173.641 176.300 0.056 0.000 1.045 93 R CA -1.938 54.185 56.100 0.037 0.000 1.115 93 R CB 0.104 30.385 30.300 -0.032 0.000 1.121 93 R HN 0.152 nan 8.270 nan 0.000 0.543 94 P HA -0.075 nan 4.420 nan 0.000 0.264 94 P C -0.764 176.547 177.300 0.019 0.000 1.183 94 P CA 0.625 63.737 63.100 0.019 0.000 0.763 94 P CB 0.217 31.915 31.700 -0.003 0.000 0.807 95 D N -0.907 119.501 120.400 0.014 0.000 3.059 95 D HA -0.192 4.448 4.640 -0.000 0.000 0.220 95 D C 0.028 176.341 176.300 0.021 0.000 1.169 95 D CA 1.410 55.417 54.000 0.012 0.000 0.902 95 D CB -0.864 39.939 40.800 0.005 0.000 1.116 95 D HN 0.442 nan 8.370 nan 0.000 0.417 96 D N -0.563 119.857 120.400 0.034 0.000 2.326 96 D HA 0.573 5.213 4.640 -0.000 0.000 0.248 96 D C -0.316 176.007 176.300 0.038 0.000 1.001 96 D CA -0.312 53.706 54.000 0.030 0.000 0.961 96 D CB 1.275 42.087 40.800 0.020 0.000 1.183 96 D HN 0.020 nan 8.370 nan 0.000 0.502 97 S N 0.683 116.399 115.700 0.028 0.000 2.542 97 S HA 0.780 5.250 4.470 -0.000 0.000 0.293 97 S C -0.781 173.839 174.600 0.033 0.000 1.089 97 S CA -0.918 57.301 58.200 0.030 0.000 0.961 97 S CB 2.386 65.591 63.200 0.009 0.000 1.062 97 S HN 0.319 nan 8.310 nan 0.000 0.483 98 K N 1.505 121.939 120.400 0.057 0.000 2.464 98 K HA 0.473 4.793 4.320 -0.000 0.000 0.253 98 K C -1.305 175.358 176.600 0.104 0.000 0.933 98 K CA -0.544 55.788 56.287 0.075 0.000 0.801 98 K CB 1.423 33.975 32.500 0.088 0.000 1.271 98 K HN 0.884 nan 8.250 nan 0.000 0.430 99 N N 2.947 121.689 118.700 0.070 0.000 2.417 99 N HA 0.562 5.302 4.740 -0.000 0.000 0.300 99 N C -0.793 174.791 175.510 0.123 0.000 1.102 99 N CA -0.347 52.696 53.050 -0.012 0.000 0.886 99 N CB 1.139 39.586 38.487 -0.067 0.000 1.203 99 N HN 0.463 nan 8.380 nan 0.000 0.496 100 F N -2.086 117.853 119.950 -0.018 0.000 2.745 100 F HA 0.693 5.220 4.527 -0.000 0.000 0.316 100 F C -0.698 175.109 175.800 0.012 0.000 1.155 100 F CA -1.177 56.820 58.000 -0.006 0.000 0.937 100 F CB 1.403 40.396 39.000 -0.011 0.000 1.361 100 F HN 0.483 nan 8.300 nan 0.000 0.472 101 S N 0.904 116.746 115.700 0.237 0.000 2.568 101 S HA 0.819 5.289 4.470 -0.000 0.000 0.293 101 S C -1.556 173.173 174.600 0.215 0.000 1.089 101 S CA -0.655 57.626 58.200 0.135 0.000 0.945 101 S CB 1.485 64.736 63.200 0.085 0.000 1.077 101 S HN 0.874 nan 8.310 nan 0.000 0.485 102 I N 2.559 123.243 120.570 0.189 0.000 2.607 102 I HA 0.413 4.583 4.170 -0.000 0.000 0.290 102 I C -1.215 174.999 176.117 0.163 0.000 1.129 102 I CA -0.463 60.952 61.300 0.192 0.000 1.042 102 I CB 1.999 40.140 38.000 0.235 0.000 1.242 102 I HN 0.695 nan 8.210 nan 0.000 0.421 103 Q N 5.380 125.244 119.800 0.107 0.000 2.282 103 Q HA 0.640 4.980 4.340 -0.000 0.000 0.260 103 Q C -1.496 174.550 176.000 0.077 0.000 0.964 103 Q CA -0.770 55.073 55.803 0.066 0.000 0.880 103 Q CB 2.944 31.704 28.738 0.037 0.000 1.286 103 Q HN 0.445 nan 8.270 nan 0.000 0.445 104 V N 2.664 122.617 119.914 0.065 0.000 2.588 104 V HA 0.546 4.666 4.120 -0.000 0.000 0.304 104 V C -0.641 175.496 176.094 0.072 0.000 1.042 104 V CA -0.833 61.502 62.300 0.058 0.000 0.877 104 V CB 2.039 33.867 31.823 0.008 0.000 0.996 104 V HN 0.671 nan 8.190 nan 0.000 0.425 105 R N 2.605 123.187 120.500 0.138 0.000 2.561 105 R HA 0.544 4.884 4.340 -0.000 0.000 0.297 105 R C -0.865 175.544 176.300 0.181 0.000 0.969 105 R CA -0.811 55.360 56.100 0.118 0.000 0.879 105 R CB 1.802 32.143 30.300 0.070 0.000 1.178 105 R HN 0.683 nan 8.270 nan 0.000 0.445 106 Q N 3.305 123.175 119.800 0.116 0.000 2.472 106 Q HA 0.201 4.541 4.340 -0.000 0.000 0.227 106 Q C -0.990 174.989 176.000 -0.035 0.000 1.156 106 Q CA -0.159 55.667 55.803 0.038 0.000 0.924 106 Q CB 0.884 29.644 28.738 0.036 0.000 1.354 106 Q HN 0.425 nan 8.270 nan 0.000 0.525 107 V N 3.309 123.164 119.914 -0.098 0.000 2.715 107 V HA 0.031 4.151 4.120 -0.000 0.000 0.299 107 V C 0.573 176.671 176.094 0.006 0.000 1.054 107 V CA -0.203 62.072 62.300 -0.042 0.000 1.077 107 V CB 1.211 33.003 31.823 -0.052 0.000 0.972 107 V HN 0.698 nan 8.190 nan 0.000 0.484 108 E N 2.907 123.131 120.200 0.040 0.000 2.354 108 E HA 0.173 4.523 4.350 -0.000 0.000 0.269 108 E C 0.070 176.728 176.600 0.097 0.000 1.036 108 E CA -0.085 56.353 56.400 0.063 0.000 0.876 108 E CB 0.370 30.098 29.700 0.047 0.000 1.009 108 E HN 0.732 nan 8.360 nan 0.000 0.416 109 D N 2.420 122.889 120.400 0.117 0.000 2.848 109 D HA -0.258 4.382 4.640 -0.000 0.000 0.245 109 D C -1.889 174.502 176.300 0.152 0.000 1.122 109 D CA 0.665 54.732 54.000 0.111 0.000 0.769 109 D CB -1.214 39.626 40.800 0.067 0.000 1.025 109 D HN 0.362 nan 8.370 nan 0.000 0.423 110 Y N 0.217 120.540 120.300 0.038 0.000 2.419 110 Y HA 0.591 5.141 4.550 -0.000 0.000 0.328 110 Y C -2.004 173.911 175.900 0.025 0.000 1.162 110 Y CA -2.046 56.063 58.100 0.015 0.000 1.174 110 Y CB 1.299 39.750 38.460 -0.015 0.000 1.228 110 Y HN -0.018 nan 8.280 nan 0.000 0.473 111 P HA 0.163 nan 4.420 nan 0.000 0.271 111 P C -1.470 175.767 177.300 -0.105 0.000 1.218 111 P CA 0.069 63.017 63.100 -0.255 0.000 0.780 111 P CB 0.747 32.241 31.700 -0.344 0.000 0.901 112 V N 2.605 122.492 119.914 -0.046 0.000 2.588 112 V HA 0.329 4.449 4.120 -0.000 0.000 0.304 112 V C -0.570 175.566 176.094 0.069 0.000 1.042 112 V CA -0.597 61.709 62.300 0.010 0.000 0.877 112 V CB 2.094 33.832 31.823 -0.142 0.000 0.996 112 V HN 0.405 nan 8.190 nan 0.000 0.425 113 D N 4.493 125.021 120.400 0.214 0.000 2.233 113 D HA 0.574 5.214 4.640 -0.000 0.000 0.240 113 D C -0.466 176.048 176.300 0.357 0.000 1.074 113 D CA -0.010 54.175 54.000 0.309 0.000 0.838 113 D CB 2.256 43.397 40.800 0.569 0.000 1.124 113 D HN 0.382 nan 8.370 nan 0.000 0.475 114 I N 2.664 123.373 120.570 0.232 0.000 2.390 114 I HA 0.162 4.332 4.170 -0.000 0.000 0.283 114 I C -0.934 175.350 176.117 0.278 0.000 1.016 114 I CA -1.006 60.446 61.300 0.254 0.000 1.151 114 I CB 1.026 39.102 38.000 0.126 0.000 1.293 114 I HN 0.222 nan 8.210 nan 0.000 0.458 115 Y N 7.042 127.470 120.300 0.213 0.000 2.367 115 Y HA 0.299 4.849 4.550 -0.000 0.000 0.342 115 Y C -0.892 175.178 175.900 0.284 0.000 0.979 115 Y CA -0.620 57.576 58.100 0.160 0.000 1.161 115 Y CB 0.752 39.175 38.460 -0.063 0.000 1.155 115 Y HN 0.435 nan 8.280 nan 0.000 0.503 116 Y N 7.448 127.650 120.300 -0.162 0.000 2.383 116 Y HA 0.437 4.987 4.550 -0.000 0.000 0.344 116 Y C -1.342 174.327 175.900 -0.386 0.000 0.986 116 Y CA -0.634 57.431 58.100 -0.058 0.000 1.175 116 Y CB 0.638 39.269 38.460 0.285 0.000 1.152 116 Y HN 0.631 nan 8.280 nan 0.000 0.511 117 L N 8.353 129.428 121.223 -0.248 0.000 2.316 117 L HA 0.517 4.857 4.340 -0.000 0.000 0.280 117 L C -1.245 175.545 176.870 -0.133 0.000 1.006 117 L CA -0.584 54.199 54.840 -0.095 0.000 0.836 117 L CB 1.079 43.306 42.059 0.279 0.000 1.221 117 L HN 0.777 nan 8.230 nan 0.000 0.418 118 M N 3.818 123.271 119.600 -0.245 0.000 2.311 118 M HA 0.362 4.842 4.480 -0.000 0.000 0.325 118 M C -0.824 175.063 176.300 -0.687 0.000 1.061 118 M CA -0.678 54.440 55.300 -0.304 0.000 0.957 118 M CB 1.335 33.909 32.600 -0.044 0.000 1.646 118 M HN 0.636 nan 8.290 nan 0.000 0.434 119 D N 4.790 124.618 120.400 -0.953 0.000 2.434 119 D HA 0.083 4.723 4.640 -0.000 0.000 0.252 119 D C -0.462 175.529 176.300 -0.515 0.000 1.185 119 D CA 0.491 53.772 54.000 -1.198 0.000 0.886 119 D CB 0.534 40.971 40.800 -0.604 0.000 1.148 119 D HN 0.704 nan 8.370 nan 0.000 0.483 120 L N 3.440 124.418 121.223 -0.408 0.000 3.209 120 L HA 0.098 4.438 4.340 -0.000 0.000 0.279 120 L C 0.809 177.632 176.870 -0.077 0.000 1.301 120 L CA -0.440 54.339 54.840 -0.102 0.000 1.004 120 L CB 0.065 42.203 42.059 0.132 0.000 1.402 120 L HN 0.300 nan 8.230 nan 0.000 0.577 121 S N -1.924 113.711 115.700 -0.108 0.000 2.606 121 S HA -0.018 4.452 4.470 -0.000 0.000 0.257 121 S C 0.977 175.617 174.600 0.066 0.000 1.327 121 S CA -0.213 57.987 58.200 0.000 0.000 0.984 121 S CB 0.681 63.889 63.200 0.013 0.000 0.941 121 S HN 0.282 nan 8.310 nan 0.000 0.576 122 Y N 1.555 121.864 120.300 0.016 0.000 2.274 122 Y HA -0.119 4.431 4.550 -0.000 0.000 0.290 122 Y C 2.704 178.617 175.900 0.022 0.000 1.145 122 Y CA 1.901 60.018 58.100 0.028 0.000 1.203 122 Y CB -0.628 37.855 38.460 0.039 0.000 0.984 122 Y HN 0.825 nan 8.280 nan 0.000 0.533 123 S N -1.181 114.569 115.700 0.084 0.000 2.515 123 S HA -0.100 4.370 4.470 -0.000 0.000 0.231 123 S C 1.453 176.030 174.600 -0.038 0.000 0.987 123 S CA 0.825 59.040 58.200 0.025 0.000 0.936 123 S CB -0.304 62.932 63.200 0.061 0.000 0.766 123 S HN 0.352 nan 8.310 nan 0.000 0.528 124 M N 0.823 120.389 119.600 -0.057 0.000 2.431 124 M HA 0.312 4.792 4.480 -0.000 0.000 0.237 124 M C 1.706 177.971 176.300 -0.060 0.000 1.130 124 M CA 0.195 55.467 55.300 -0.047 0.000 1.002 124 M CB -0.617 31.953 32.600 -0.050 0.000 1.524 124 M HN 0.394 nan 8.290 nan 0.000 0.482 125 K N 1.864 122.170 120.400 -0.157 0.000 2.020 125 K HA -0.222 4.098 4.320 -0.000 0.000 0.212 125 K C 1.484 178.051 176.600 -0.055 0.000 1.050 125 K CA 2.289 58.473 56.287 -0.172 0.000 0.929 125 K CB 0.046 32.301 32.500 -0.409 0.000 0.714 125 K HN 0.393 nan 8.250 nan 0.000 0.443 126 D N 0.124 120.492 120.400 -0.054 0.000 2.178 126 D HA -0.183 4.457 4.640 -0.000 0.000 0.201 126 D C 1.063 177.428 176.300 0.107 0.000 0.980 126 D CA 1.447 55.461 54.000 0.024 0.000 0.842 126 D CB -0.556 40.242 40.800 -0.005 0.000 0.948 126 D HN 0.306 nan 8.370 nan 0.000 0.472 127 D N 0.815 121.258 120.400 0.071 0.000 2.117 127 D HA -0.061 4.579 4.640 -0.000 0.000 0.197 127 D C 2.243 178.607 176.300 0.107 0.000 0.987 127 D CA 0.382 54.438 54.000 0.093 0.000 0.829 127 D CB -0.284 40.564 40.800 0.080 0.000 0.961 127 D HN 0.152 nan 8.370 nan 0.000 0.460 128 L N 0.062 121.344 121.223 0.098 0.000 2.043 128 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 128 L C 2.225 179.145 176.870 0.083 0.000 1.075 128 L CA 1.243 56.129 54.840 0.076 0.000 0.752 128 L CB -0.183 41.917 42.059 0.067 0.000 0.891 128 L HN 0.411 nan 8.230 nan 0.000 0.432 129 W N 0.256 121.526 121.300 -0.049 0.000 2.355 129 W HA -0.220 4.440 4.660 -0.000 0.000 0.309 129 W C 2.533 179.031 176.519 -0.036 0.000 1.206 129 W CA 1.734 59.050 57.345 -0.048 0.000 1.284 129 W CB -0.136 29.298 29.460 -0.043 0.000 1.145 129 W HN 0.148 nan 8.180 nan 0.000 0.502 130 S N 1.335 117.093 115.700 0.096 0.000 2.383 130 S HA -0.236 4.234 4.470 -0.000 0.000 0.229 130 S C 1.641 176.191 174.600 -0.083 0.000 1.030 130 S CA 1.790 59.992 58.200 0.003 0.000 1.002 130 S CB -0.691 62.554 63.200 0.075 0.000 0.829 130 S HN 0.530 nan 8.310 nan 0.000 0.467 131 I N 0.879 121.407 120.570 -0.071 0.000 3.735 131 I HA 0.092 4.262 4.170 -0.000 0.000 0.310 131 I C 1.844 177.880 176.117 -0.136 0.000 1.270 131 I CA 0.022 61.271 61.300 -0.084 0.000 1.207 131 I CB -0.517 37.444 38.000 -0.065 0.000 1.013 131 I HN 0.235 nan 8.210 nan 0.000 0.452 132 Q N 2.075 121.735 119.800 -0.233 0.000 2.436 132 Q HA -0.119 4.221 4.340 -0.000 0.000 0.209 132 Q C 0.784 176.667 176.000 -0.195 0.000 0.965 132 Q CA 1.350 56.992 55.803 -0.268 0.000 0.910 132 Q CB -0.468 28.029 28.738 -0.402 0.000 0.980 132 Q HN 0.704 nan 8.270 nan 0.000 0.491 133 N N 0.081 118.681 118.700 -0.166 0.000 2.204 133 N HA -0.007 4.733 4.740 -0.000 0.000 0.219 133 N C 1.122 176.577 175.510 -0.092 0.000 1.151 133 N CA -0.163 52.816 53.050 -0.118 0.000 0.867 133 N CB 0.216 38.627 38.487 -0.127 0.000 1.043 133 N HN 0.162 nan 8.380 nan 0.000 0.516 134 L N 1.036 122.212 121.223 -0.078 0.000 2.079 134 L HA 0.121 4.461 4.340 -0.000 0.000 0.210 134 L C 2.013 178.738 176.870 -0.242 0.000 1.081 134 L CA 1.925 56.688 54.840 -0.130 0.000 0.752 134 L CB -0.981 41.000 42.059 -0.130 0.000 0.896 134 L HN 0.274 nan 8.230 nan 0.000 0.433 135 G N -2.004 106.646 108.800 -0.251 0.000 2.421 135 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 135 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 135 G C 1.474 176.247 174.900 -0.211 0.000 1.171 135 G CA 1.169 46.031 45.100 -0.396 0.000 0.775 135 G HN 0.418 nan 8.290 nan 0.000 0.543 136 T N 0.571 115.051 114.554 -0.122 0.000 2.708 136 T HA -0.056 4.294 4.350 -0.000 0.000 0.266 136 T C 2.399 177.041 174.700 -0.096 0.000 1.037 136 T CA 1.488 63.532 62.100 -0.094 0.000 1.146 136 T CB -0.153 68.671 68.868 -0.073 0.000 0.865 136 T HN 0.287 nan 8.240 nan 0.000 0.435 137 K N 0.386 120.726 120.400 -0.099 0.000 2.057 137 K HA 0.014 4.334 4.320 -0.000 0.000 0.206 137 K C 2.171 178.718 176.600 -0.089 0.000 1.050 137 K CA 0.757 56.995 56.287 -0.081 0.000 0.935 137 K CB -0.323 32.134 32.500 -0.071 0.000 0.715 137 K HN 0.114 nan 8.250 nan 0.000 0.439 138 L N 1.232 122.378 121.223 -0.128 0.000 2.046 138 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 138 L C 2.176 178.972 176.870 -0.122 0.000 1.077 138 L CA 1.716 56.476 54.840 -0.134 0.000 0.747 138 L CB -0.723 41.212 42.059 -0.208 0.000 0.896 138 L HN 0.119 nan 8.230 nan 0.000 0.432 139 A N -1.695 121.048 122.820 -0.129 0.000 1.902 139 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 139 A C 2.275 179.814 177.584 -0.075 0.000 1.181 139 A CA 2.334 54.310 52.037 -0.102 0.000 0.623 139 A CB -1.211 17.733 19.000 -0.094 0.000 0.818 139 A HN 0.492 nan 8.150 nan 0.000 0.443 140 T N -0.082 114.432 114.554 -0.066 0.000 2.720 140 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 140 T C 2.075 176.751 174.700 -0.040 0.000 1.037 140 T CA 1.631 63.703 62.100 -0.047 0.000 1.144 140 T CB -0.221 68.622 68.868 -0.042 0.000 0.864 140 T HN 0.451 nan 8.240 nan 0.000 0.444 141 Q N 0.094 119.868 119.800 -0.043 0.000 2.172 141 Q HA 0.176 4.516 4.340 -0.000 0.000 0.200 141 Q C 2.170 178.148 176.000 -0.036 0.000 0.964 141 Q CA 0.775 56.560 55.803 -0.030 0.000 0.855 141 Q CB -0.257 28.467 28.738 -0.023 0.000 0.918 141 Q HN 0.440 nan 8.270 nan 0.000 0.444 142 M N -0.303 119.258 119.600 -0.065 0.000 2.492 142 M HA 0.005 4.485 4.480 -0.000 0.000 0.262 142 M C 1.876 178.135 176.300 -0.068 0.000 1.090 142 M CA 0.651 55.895 55.300 -0.093 0.000 1.110 142 M CB -0.543 31.970 32.600 -0.145 0.000 1.407 142 M HN 0.137 nan 8.290 nan 0.000 0.470 143 R N 0.987 121.457 120.500 -0.049 0.000 2.120 143 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 143 R C 1.882 178.173 176.300 -0.015 0.000 1.123 143 R CA 1.332 57.412 56.100 -0.033 0.000 0.975 143 R CB 0.111 30.393 30.300 -0.030 0.000 0.866 143 R HN 0.313 nan 8.270 nan 0.000 0.446 144 K N -0.124 120.271 120.400 -0.007 0.000 2.147 144 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 144 K C 1.814 178.431 176.600 0.029 0.000 1.049 144 K CA 1.134 57.428 56.287 0.011 0.000 0.936 144 K CB 0.080 32.590 32.500 0.016 0.000 0.722 144 K HN 0.250 nan 8.250 nan 0.000 0.446 145 L N -0.745 120.497 121.223 0.031 0.000 2.470 145 L HA 0.109 4.449 4.340 -0.000 0.000 0.219 145 L C 0.942 177.853 176.870 0.068 0.000 1.071 145 L CA 0.135 55.022 54.840 0.079 0.000 0.850 145 L CB 0.730 42.868 42.059 0.131 0.000 1.040 145 L HN -0.004 nan 8.230 nan 0.000 0.475 146 T N -1.700 112.860 114.554 0.009 0.000 2.932 146 T HA 0.240 4.590 4.350 -0.000 0.000 0.318 146 T C 0.274 174.962 174.700 -0.020 0.000 1.265 146 T CA -0.111 61.989 62.100 0.000 0.000 1.036 146 T CB 1.684 70.531 68.868 -0.035 0.000 1.209 146 T HN 0.032 nan 8.240 nan 0.000 0.484 147 S N 2.416 118.106 115.700 -0.016 0.000 2.557 147 S HA 0.311 4.781 4.470 -0.000 0.000 0.223 147 S C 0.254 174.833 174.600 -0.034 0.000 0.969 147 S CA -0.320 57.867 58.200 -0.022 0.000 0.927 147 S CB -0.403 62.789 63.200 -0.013 0.000 0.806 147 S HN 0.613 nan 8.310 nan 0.000 0.489 148 N N 1.328 119.999 118.700 -0.047 0.000 2.733 148 N HA 0.401 5.141 4.740 -0.000 0.000 0.271 148 N C -1.594 173.881 175.510 -0.057 0.000 1.720 148 N CA -0.353 52.664 53.050 -0.055 0.000 0.803 148 N CB 1.241 39.682 38.487 -0.077 0.000 1.208 148 N HN 0.262 nan 8.380 nan 0.000 0.498 149 L N 1.011 122.201 121.223 -0.055 0.000 2.276 149 L HA 0.515 4.855 4.340 -0.000 0.000 0.286 149 L C -0.357 176.494 176.870 -0.032 0.000 1.061 149 L CA -0.050 54.755 54.840 -0.058 0.000 0.807 149 L CB 0.353 42.364 42.059 -0.080 0.000 1.177 149 L HN 0.225 nan 8.230 nan 0.000 0.429 150 R N 6.349 126.845 120.500 -0.007 0.000 2.670 150 R HA 0.738 5.078 4.340 -0.000 0.000 0.289 150 R C -0.957 175.359 176.300 0.026 0.000 0.965 150 R CA -0.822 55.286 56.100 0.013 0.000 0.899 150 R CB 2.093 32.413 30.300 0.033 0.000 1.173 150 R HN 0.804 nan 8.270 nan 0.000 0.456 151 I N -2.118 118.471 120.570 0.032 0.000 2.969 151 I HA 0.924 5.094 4.170 -0.000 0.000 0.307 151 I C -0.458 175.769 176.117 0.183 0.000 1.149 151 I CA -0.856 60.479 61.300 0.058 0.000 1.008 151 I CB 2.753 40.685 38.000 -0.114 0.000 1.232 151 I HN 0.671 nan 8.210 nan 0.000 0.435 152 G N 2.157 111.133 108.800 0.293 0.000 2.645 152 G HA2 0.683 4.643 3.960 -0.000 0.000 0.292 152 G HA3 0.683 4.643 3.960 -0.000 0.000 0.292 152 G C -2.425 172.606 174.900 0.219 0.000 1.415 152 G CA -0.655 44.650 45.100 0.342 0.000 0.785 152 G HN 0.721 nan 8.290 nan 0.000 0.483 153 F N -0.350 119.467 119.950 -0.222 0.000 2.608 153 F HA 0.732 5.259 4.527 -0.000 0.000 0.309 153 F C 0.035 175.624 175.800 -0.351 0.000 1.103 153 F CA 0.100 57.865 58.000 -0.393 0.000 0.954 153 F CB 2.246 40.970 39.000 -0.459 0.000 1.267 153 F HN 0.948 nan 8.300 nan 0.000 0.444 154 G N 2.046 110.347 108.800 -0.831 0.000 2.695 154 G HA2 0.845 4.805 3.960 -0.000 0.000 0.290 154 G HA3 0.845 4.805 3.960 -0.000 0.000 0.290 154 G C -2.298 172.359 174.900 -0.405 0.000 1.410 154 G CA -0.482 44.493 45.100 -0.208 0.000 0.844 154 G HN 1.127 nan 8.290 nan 0.000 0.478 155 A N -0.566 122.288 122.820 0.058 0.000 2.572 155 A HA 0.928 5.248 4.320 -0.000 0.000 0.295 155 A C -1.255 176.668 177.584 0.565 0.000 1.072 155 A CA -0.710 51.418 52.037 0.151 0.000 0.691 155 A CB 1.360 20.472 19.000 0.186 0.000 1.291 155 A HN 1.977 nan 8.150 nan 0.000 0.404 156 F N -0.285 119.895 119.950 0.384 0.000 2.626 156 F HA 0.815 5.342 4.527 -0.000 0.000 0.311 156 F C -0.438 175.382 175.800 0.033 0.000 1.088 156 F CA -0.799 57.400 58.000 0.331 0.000 0.949 156 F CB 0.909 40.096 39.000 0.313 0.000 1.322 156 F HN 0.361 nan 8.300 nan 0.000 0.461 157 V N -0.778 119.159 119.914 0.038 0.000 4.213 157 V HA 0.437 4.557 4.120 -0.000 0.000 0.179 157 V C -0.914 175.301 176.094 0.201 0.000 1.148 157 V CA 0.503 62.766 62.300 -0.061 0.000 1.346 157 V CB 0.551 32.146 31.823 -0.381 0.000 1.703 157 V HN 0.880 nan 8.190 nan 0.000 0.525 158 D N -1.272 119.204 120.400 0.127 0.000 2.713 158 D HA 0.275 4.915 4.640 -0.000 0.000 0.306 158 D C -1.415 174.979 176.300 0.156 0.000 1.299 158 D CA -0.639 53.464 54.000 0.171 0.000 0.823 158 D CB 1.577 42.434 40.800 0.095 0.000 1.353 158 D HN 0.087 nan 8.370 nan 0.000 0.447 159 K N 1.617 122.088 120.400 0.117 0.000 2.453 159 K HA 0.171 4.491 4.320 -0.000 0.000 0.280 159 K C -1.911 174.815 176.600 0.211 0.000 1.045 159 K CA -0.841 55.529 56.287 0.138 0.000 1.059 159 K CB 0.358 32.906 32.500 0.080 0.000 0.901 159 K HN 0.115 nan 8.250 nan 0.000 0.475 160 P HA 0.025 nan 4.420 nan 0.000 0.237 160 P C -0.863 176.511 177.300 0.123 0.000 1.788 160 P CA 0.094 63.285 63.100 0.151 0.000 1.061 160 P CB 0.227 32.016 31.700 0.148 0.000 1.967 161 V N 0.997 121.002 119.914 0.152 0.000 2.932 161 V HA 0.368 4.488 4.120 -0.000 0.000 0.307 161 V C -0.328 175.764 176.094 -0.004 0.000 1.147 161 V CA -0.785 61.556 62.300 0.069 0.000 0.951 161 V CB 2.460 34.317 31.823 0.057 0.000 1.031 161 V HN 0.264 nan 8.190 nan 0.000 0.426 162 S N 6.196 121.856 115.700 -0.066 0.000 2.560 162 S HA 0.346 4.816 4.470 -0.000 0.000 0.284 162 S C -1.454 172.968 174.600 -0.297 0.000 1.327 162 S CA -0.103 58.013 58.200 -0.140 0.000 1.055 162 S CB 1.137 64.283 63.200 -0.090 0.000 0.868 162 S HN 0.811 nan 8.310 nan 0.000 0.506 163 P HA 0.121 nan 4.420 nan 0.000 0.261 163 P C 0.253 177.403 177.300 -0.250 0.000 1.268 163 P CA 0.181 63.104 63.100 -0.296 0.000 0.833 163 P CB -0.030 31.519 31.700 -0.253 0.000 1.231 164 Y N -0.030 120.245 120.300 -0.042 0.000 2.200 164 Y HA 0.073 4.623 4.550 -0.000 0.000 0.290 164 Y C 1.837 177.661 175.900 -0.127 0.000 1.137 164 Y CA 0.411 58.490 58.100 -0.035 0.000 1.163 164 Y CB -0.952 37.544 38.460 0.060 0.000 0.988 164 Y HN -0.024 nan 8.280 nan 0.000 0.518 165 M N 0.088 119.712 119.600 0.041 0.000 2.233 165 M HA 0.272 4.752 4.480 -0.000 0.000 0.355 165 M C -1.397 174.849 176.300 -0.091 0.000 1.191 165 M CA -0.704 54.598 55.300 0.003 0.000 1.101 165 M CB 0.632 33.281 32.600 0.081 0.000 1.592 165 M HN 0.034 nan 8.290 nan 0.000 0.461 166 Y N 5.113 125.457 120.300 0.075 0.000 2.442 166 Y HA 0.166 4.716 4.550 -0.000 0.000 0.330 166 Y C 0.890 176.812 175.900 0.036 0.000 1.129 166 Y CA 0.101 58.235 58.100 0.057 0.000 1.365 166 Y CB 0.138 38.642 38.460 0.075 0.000 1.233 166 Y HN 0.655 nan 8.280 nan 0.000 0.529 167 I N -0.650 120.014 120.570 0.156 0.000 3.966 167 I HA 0.443 4.613 4.170 -0.000 0.000 0.324 167 I C -0.350 175.795 176.117 0.047 0.000 1.517 167 I CA -0.221 61.125 61.300 0.077 0.000 1.117 167 I CB 0.180 38.202 38.000 0.037 0.000 1.190 167 I HN 0.359 nan 8.210 nan 0.000 0.466 168 S N 0.327 116.063 115.700 0.060 0.000 2.547 168 S HA 0.691 5.161 4.470 -0.000 0.000 0.270 168 S C -2.968 171.613 174.600 -0.032 0.000 1.150 168 S CA -0.898 57.305 58.200 0.004 0.000 0.850 168 S CB 1.518 64.733 63.200 0.025 0.000 1.118 168 S HN 0.055 nan 8.310 nan 0.000 0.461 169 P HA 0.396 nan 4.420 nan 0.000 0.277 169 P C -2.119 175.069 177.300 -0.187 0.000 1.276 169 P CA -1.242 61.770 63.100 -0.147 0.000 0.788 169 P CB -0.668 30.933 31.700 -0.166 0.000 1.114 170 P HA -0.183 nan 4.420 nan 0.000 0.217 170 P C 1.557 178.771 177.300 -0.143 0.000 1.148 170 P CA 1.527 64.565 63.100 -0.104 0.000 0.828 170 P CB -0.074 31.583 31.700 -0.071 0.000 0.783 171 E N -0.388 119.671 120.200 -0.235 0.000 2.160 171 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 171 E C 1.857 178.283 176.600 -0.290 0.000 0.991 171 E CA 1.103 57.343 56.400 -0.267 0.000 0.810 171 E CB -0.435 29.050 29.700 -0.359 0.000 0.742 171 E HN 0.114 nan 8.360 nan 0.000 0.466 172 A N 0.605 123.181 122.820 -0.406 0.000 2.019 172 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 172 A C 2.080 179.657 177.584 -0.012 0.000 1.164 172 A CA 0.796 52.712 52.037 -0.201 0.000 0.644 172 A CB -0.396 18.517 19.000 -0.144 0.000 0.805 172 A HN 0.272 nan 8.150 nan 0.000 0.449 173 L N -0.987 120.224 121.223 -0.022 0.000 2.072 173 L HA -0.163 4.177 4.340 -0.000 0.000 0.205 173 L C 2.523 179.419 176.870 0.044 0.000 1.079 173 L CA 1.584 56.442 54.840 0.030 0.000 0.752 173 L CB -0.466 41.601 42.059 0.013 0.000 0.906 173 L HN 0.438 nan 8.230 nan 0.000 0.436 174 E N -0.553 119.658 120.200 0.019 0.000 2.158 174 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 174 E C 0.400 177.037 176.600 0.061 0.000 0.982 174 E CA 0.487 56.908 56.400 0.035 0.000 0.823 174 E CB 0.135 29.844 29.700 0.014 0.000 0.766 174 E HN 0.197 nan 8.360 nan 0.000 0.468 175 N N -0.206 118.529 118.700 0.059 0.000 2.640 175 N HA 0.128 4.868 4.740 -0.000 0.000 0.262 175 N C -2.520 173.064 175.510 0.123 0.000 1.174 175 N CA -2.066 51.042 53.050 0.096 0.000 0.791 175 N CB 1.290 39.837 38.487 0.099 0.000 1.279 175 N HN -0.281 nan 8.380 nan 0.000 0.535 176 P HA 0.013 nan 4.420 nan 0.000 0.223 176 P C 0.371 177.711 177.300 0.067 0.000 1.144 176 P CA 0.877 64.056 63.100 0.132 0.000 0.783 176 P CB 0.217 32.021 31.700 0.172 0.000 0.771 177 c N -1.954 116.682 118.600 0.060 0.000 2.614 177 c HA 0.131 4.701 4.570 -0.000 0.000 0.299 177 c C 2.251 176.319 174.090 -0.035 0.000 1.293 177 c CA -0.708 55.592 56.329 -0.048 0.000 1.713 177 c CB -2.503 39.988 42.510 -0.031 0.000 1.890 177 c HN 0.377 nan 8.230 nan 0.000 0.602 178 Y N 2.752 123.001 120.300 -0.084 0.000 2.207 178 Y HA -0.189 4.361 4.550 -0.000 0.000 0.287 178 Y C 1.774 177.627 175.900 -0.078 0.000 1.156 178 Y CA 2.153 60.216 58.100 -0.063 0.000 1.182 178 Y CB -0.536 37.895 38.460 -0.047 0.000 0.979 178 Y HN 0.389 nan 8.280 nan 0.000 0.521 179 D N 0.146 119.814 120.400 -1.221 0.000 2.340 179 D HA 0.048 4.688 4.640 -0.000 0.000 0.220 179 D C 0.428 176.445 176.300 -0.472 0.000 1.039 179 D CA 0.220 53.609 54.000 -1.019 0.000 0.866 179 D CB -0.348 39.818 40.800 -1.058 0.000 0.913 179 D HN 0.468 nan 8.370 nan 0.000 0.523 180 M N -0.252 119.135 119.600 -0.355 0.000 2.310 180 M HA 0.312 4.792 4.480 -0.000 0.000 0.241 180 M C 0.728 176.929 176.300 -0.165 0.000 1.162 180 M CA -0.578 54.584 55.300 -0.230 0.000 0.958 180 M CB 1.118 33.576 32.600 -0.237 0.000 1.348 180 M HN -0.391 nan 8.290 nan 0.000 0.541 181 K N 1.023 121.364 120.400 -0.099 0.000 2.965 181 K HA 0.235 4.555 4.320 -0.000 0.000 0.216 181 K C -0.870 175.717 176.600 -0.021 0.000 1.164 181 K CA -0.060 56.192 56.287 -0.058 0.000 1.153 181 K CB -0.157 32.315 32.500 -0.046 0.000 1.045 181 K HN 0.790 nan 8.250 nan 0.000 0.460 182 T N -2.301 112.246 114.554 -0.012 0.000 2.778 182 T HA 0.371 4.721 4.350 -0.000 0.000 0.293 182 T C -0.161 174.568 174.700 0.047 0.000 1.144 182 T CA -0.875 61.245 62.100 0.034 0.000 1.010 182 T CB 1.856 70.775 68.868 0.086 0.000 1.325 182 T HN 0.091 nan 8.240 nan 0.000 0.515 183 T N -1.278 113.320 114.554 0.074 0.000 2.841 183 T HA 0.727 5.077 4.350 -0.000 0.000 0.283 183 T C 0.149 174.922 174.700 0.122 0.000 1.000 183 T CA -0.789 61.364 62.100 0.088 0.000 0.977 183 T CB 0.348 69.260 68.868 0.073 0.000 0.979 183 T HN 1.335 nan 8.240 nan 0.000 0.446 184 c N 2.430 121.113 118.600 0.139 0.000 3.028 184 c HA 0.826 5.396 4.570 -0.000 0.000 0.338 184 c C 0.162 174.351 174.090 0.165 0.000 1.366 184 c CA -1.450 54.984 56.329 0.175 0.000 1.610 184 c CB -0.101 42.553 42.510 0.239 0.000 2.063 184 c HN 1.023 nan 8.230 nan 0.000 0.463 185 L N 1.964 123.308 121.223 0.201 0.000 2.452 185 L HA 0.334 4.674 4.340 -0.000 0.000 0.267 185 L C -1.960 175.050 176.870 0.234 0.000 1.188 185 L CA -1.102 53.869 54.840 0.219 0.000 0.821 185 L CB 0.278 42.517 42.059 0.299 0.000 1.102 185 L HN 0.461 nan 8.230 nan 0.000 0.470 186 P HA -0.066 nan 4.420 nan 0.000 0.266 186 P C -0.182 177.293 177.300 0.292 0.000 1.193 186 P CA 0.247 63.468 63.100 0.203 0.000 0.770 186 P CB 0.429 32.223 31.700 0.156 0.000 0.836 187 M N 3.522 123.255 119.600 0.222 0.000 2.252 187 M HA 0.255 4.735 4.480 -0.000 0.000 0.333 187 M C -0.365 176.111 176.300 0.293 0.000 1.111 187 M CA 0.750 56.153 55.300 0.171 0.000 1.140 187 M CB -0.197 32.475 32.600 0.121 0.000 1.538 187 M HN 0.294 nan 8.290 nan 0.000 0.448 188 F N 0.759 120.835 119.950 0.210 0.000 2.613 188 F HA 0.701 5.228 4.527 -0.000 0.000 0.310 188 F C 0.249 176.216 175.800 0.279 0.000 1.085 188 F CA -0.859 57.298 58.000 0.261 0.000 0.945 188 F CB 0.601 39.791 39.000 0.316 0.000 1.298 188 F HN 0.553 nan 8.300 nan 0.000 0.455 189 G N 0.603 109.688 108.800 0.476 0.000 2.551 189 G HA2 0.112 4.072 3.960 -0.000 0.000 0.214 189 G HA3 0.112 4.072 3.960 -0.000 0.000 0.214 189 G C -1.162 174.106 174.900 0.614 0.000 1.250 189 G CA 0.977 46.343 45.100 0.443 0.000 0.825 189 G HN 0.802 nan 8.290 nan 0.000 0.549 190 Y N 1.090 121.699 120.300 0.514 0.000 2.433 190 Y HA 0.562 5.112 4.550 -0.000 0.000 0.337 190 Y C -1.070 174.997 175.900 0.278 0.000 1.026 190 Y CA -1.788 56.579 58.100 0.444 0.000 1.037 190 Y CB 1.368 40.017 38.460 0.315 0.000 1.245 190 Y HN 0.318 nan 8.280 nan 0.000 0.443 191 K N 3.965 124.073 120.400 -0.485 0.000 2.397 191 K HA 0.424 4.744 4.320 -0.000 0.000 0.253 191 K C -1.693 174.453 176.600 -0.756 0.000 0.932 191 K CA -1.004 54.781 56.287 -0.838 0.000 0.795 191 K CB 1.957 33.862 32.500 -0.992 0.000 1.159 191 K HN 0.777 nan 8.250 nan 0.000 0.424 192 H N 2.105 120.757 119.070 -0.696 0.000 2.610 192 H HA 0.246 4.802 4.556 -0.000 0.000 0.336 192 H C -0.140 175.128 175.328 -0.101 0.000 1.087 192 H CA -0.149 55.770 56.048 -0.216 0.000 1.405 192 H CB 1.202 30.929 29.762 -0.058 0.000 1.460 192 H HN 0.488 nan 8.280 nan 0.000 0.538 193 V N 4.060 123.664 119.914 -0.516 0.000 2.948 193 V HA 0.146 4.266 4.120 -0.000 0.000 0.234 193 V C -0.400 175.433 176.094 -0.435 0.000 1.205 193 V CA 0.068 62.161 62.300 -0.345 0.000 1.234 193 V CB 0.186 31.994 31.823 -0.026 0.000 1.020 193 V HN 0.537 nan 8.190 nan 0.000 0.491 194 L N 0.961 121.946 121.223 -0.396 0.000 2.406 194 L HA 0.607 4.947 4.340 -0.000 0.000 0.270 194 L C -0.147 176.785 176.870 0.104 0.000 0.982 194 L CA 0.120 54.871 54.840 -0.148 0.000 0.843 194 L CB 1.422 43.460 42.059 -0.035 0.000 1.225 194 L HN 0.095 nan 8.230 nan 0.000 0.412 195 T N 5.299 119.976 114.554 0.206 0.000 2.940 195 T HA 0.254 4.604 4.350 -0.000 0.000 0.309 195 T C 0.533 175.337 174.700 0.173 0.000 1.056 195 T CA -0.043 62.250 62.100 0.322 0.000 1.137 195 T CB 0.072 69.071 68.868 0.218 0.000 0.976 195 T HN 0.486 nan 8.240 nan 0.000 0.547 196 L N 3.139 124.424 121.223 0.104 0.000 2.640 196 L HA 0.162 4.502 4.340 -0.000 0.000 0.280 196 L C 1.009 177.909 176.870 0.051 0.000 1.229 196 L CA 0.461 55.338 54.840 0.061 0.000 0.919 196 L CB -0.084 41.945 42.059 -0.050 0.000 1.168 196 L HN 0.663 nan 8.230 nan 0.000 0.496 197 T N -0.044 114.546 114.554 0.060 0.000 2.894 197 T HA 0.250 4.600 4.350 -0.000 0.000 0.309 197 T C 0.234 174.949 174.700 0.024 0.000 1.208 197 T CA -0.669 61.453 62.100 0.038 0.000 1.016 197 T CB 1.409 70.302 68.868 0.041 0.000 1.192 197 T HN 0.682 nan 8.240 nan 0.000 0.491 198 D N 1.608 122.014 120.400 0.009 0.000 2.355 198 D HA 0.007 4.647 4.640 -0.000 0.000 0.218 198 D C 0.395 176.690 176.300 -0.009 0.000 1.004 198 D CA 0.341 54.337 54.000 -0.006 0.000 0.880 198 D CB 0.147 40.940 40.800 -0.012 0.000 0.911 198 D HN 0.360 nan 8.370 nan 0.000 0.528 199 Q N 1.380 121.180 119.800 0.001 0.000 2.678 199 Q HA 0.121 4.461 4.340 -0.000 0.000 0.222 199 Q C 1.526 177.529 176.000 0.005 0.000 1.281 199 Q CA -0.137 55.665 55.803 -0.002 0.000 0.994 199 Q CB 1.338 30.076 28.738 0.000 0.000 1.452 199 Q HN 0.316 nan 8.270 nan 0.000 0.570 200 V N -0.094 119.814 119.914 -0.010 0.000 2.759 200 V HA -0.179 3.941 4.120 -0.000 0.000 0.256 200 V C 1.864 177.968 176.094 0.017 0.000 1.080 200 V CA 1.990 64.283 62.300 -0.011 0.000 1.101 200 V CB -1.152 30.631 31.823 -0.067 0.000 0.698 200 V HN 0.591 nan 8.190 nan 0.000 0.477 201 T N -2.212 112.339 114.554 -0.004 0.000 3.007 201 T HA -0.070 4.280 4.350 -0.000 0.000 0.270 201 T C 1.959 176.653 174.700 -0.011 0.000 1.107 201 T CA 0.869 62.962 62.100 -0.012 0.000 1.118 201 T CB -0.507 68.344 68.868 -0.029 0.000 0.889 201 T HN 0.480 nan 8.240 nan 0.000 0.506 202 R N -0.152 120.350 120.500 0.004 0.000 2.096 202 R HA 0.027 4.367 4.340 -0.000 0.000 0.235 202 R C 2.031 178.316 176.300 -0.025 0.000 1.127 202 R CA 1.218 57.309 56.100 -0.014 0.000 0.968 202 R CB -0.802 29.499 30.300 0.003 0.000 0.861 202 R HN 0.517 nan 8.270 nan 0.000 0.440 203 F N 2.529 122.403 119.950 -0.125 0.000 2.075 203 F HA -0.199 4.328 4.527 -0.000 0.000 0.297 203 F C 1.943 177.598 175.800 -0.242 0.000 1.113 203 F CA 1.519 59.414 58.000 -0.175 0.000 1.218 203 F CB -0.197 38.719 39.000 -0.140 0.000 0.984 203 F HN -0.033 nan 8.300 nan 0.000 0.472 204 N N 0.655 119.400 118.700 0.075 0.000 2.061 204 N HA -0.189 4.551 4.740 -0.000 0.000 0.193 204 N C 1.706 177.103 175.510 -0.189 0.000 1.030 204 N CA 1.758 54.769 53.050 -0.065 0.000 0.856 204 N CB -0.601 37.854 38.487 -0.053 0.000 1.023 204 N HN 0.370 nan 8.380 nan 0.000 0.424 205 E N 0.826 120.932 120.200 -0.156 0.000 2.107 205 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 205 E C 1.712 178.177 176.600 -0.225 0.000 0.982 205 E CA 0.502 56.804 56.400 -0.164 0.000 0.809 205 E CB -0.080 29.553 29.700 -0.112 0.000 0.756 205 E HN 0.422 nan 8.360 nan 0.000 0.459 206 E N 0.697 120.724 120.200 -0.289 0.000 2.051 206 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 206 E C 2.349 178.647 176.600 -0.504 0.000 0.991 206 E CA 0.664 56.844 56.400 -0.366 0.000 0.799 206 E CB -0.273 29.186 29.700 -0.402 0.000 0.748 206 E HN 0.070 nan 8.360 nan 0.000 0.449 207 V N 1.646 121.130 119.914 -0.716 0.000 2.392 207 V HA -0.260 3.860 4.120 -0.000 0.000 0.249 207 V C 2.192 178.030 176.094 -0.426 0.000 1.059 207 V CA 1.803 63.632 62.300 -0.785 0.000 1.051 207 V CB -0.423 30.874 31.823 -0.877 0.000 0.658 207 V HN 0.222 nan 8.190 nan 0.000 0.455 208 K N -0.167 120.041 120.400 -0.320 0.000 2.280 208 K HA -0.139 4.181 4.320 -0.000 0.000 0.202 208 K C 1.912 178.427 176.600 -0.143 0.000 1.047 208 K CA 1.060 57.223 56.287 -0.206 0.000 0.942 208 K CB -0.111 32.280 32.500 -0.182 0.000 0.739 208 K HN 0.450 nan 8.250 nan 0.000 0.457 209 K N 0.079 120.376 120.400 -0.171 0.000 2.367 209 K HA 0.067 4.387 4.320 -0.000 0.000 0.194 209 K C 0.246 176.781 176.600 -0.108 0.000 1.027 209 K CA 0.042 56.258 56.287 -0.118 0.000 1.075 209 K CB 0.489 32.916 32.500 -0.121 0.000 0.845 209 K HN 0.064 nan 8.250 nan 0.000 0.529 210 Q N 1.247 120.956 119.800 -0.152 0.000 2.394 210 Q HA 0.119 4.459 4.340 -0.000 0.000 0.248 210 Q C 0.147 176.137 176.000 -0.017 0.000 0.992 210 Q CA 0.248 55.992 55.803 -0.099 0.000 0.888 210 Q CB 1.680 30.330 28.738 -0.147 0.000 1.257 210 Q HN 0.165 nan 8.270 nan 0.000 0.462 211 S N -1.258 114.468 115.700 0.043 0.000 2.651 211 S HA 0.666 5.136 4.470 -0.000 0.000 0.279 211 S C -0.119 174.578 174.600 0.161 0.000 1.148 211 S CA -0.882 57.369 58.200 0.085 0.000 0.837 211 S CB 0.896 64.146 63.200 0.083 0.000 1.138 211 S HN 0.437 nan 8.310 nan 0.000 0.478 212 V N -0.624 119.373 119.914 0.139 0.000 3.083 212 V HA 0.820 4.940 4.120 -0.000 0.000 0.306 212 V C 0.449 176.688 176.094 0.242 0.000 1.077 212 V CA -0.129 62.270 62.300 0.166 0.000 1.073 212 V CB 1.005 32.862 31.823 0.056 0.000 1.081 212 V HN 1.081 nan 8.190 nan 0.000 0.474 213 S N 0.846 116.672 115.700 0.210 0.000 2.855 213 S HA 0.734 5.204 4.470 -0.000 0.000 0.308 213 S C -0.492 174.226 174.600 0.196 0.000 1.077 213 S CA -1.032 57.286 58.200 0.198 0.000 0.896 213 S CB 1.564 64.831 63.200 0.111 0.000 1.339 213 S HN 1.079 nan 8.310 nan 0.000 0.602 214 R N 0.788 121.389 120.500 0.169 0.000 2.535 214 R HA 0.420 4.760 4.340 -0.000 0.000 0.274 214 R C -1.633 174.807 176.300 0.233 0.000 1.090 214 R CA -0.330 55.887 56.100 0.196 0.000 0.930 214 R CB 1.045 31.435 30.300 0.149 0.000 1.223 214 R HN 0.971 nan 8.270 nan 0.000 0.441 215 N N 0.589 119.419 118.700 0.216 0.000 2.902 215 N HA 0.326 5.066 4.740 -0.000 0.000 0.268 215 N C -0.045 175.516 175.510 0.085 0.000 1.450 215 N CA -1.021 52.115 53.050 0.143 0.000 0.819 215 N CB 1.676 40.220 38.487 0.096 0.000 1.540 215 N HN 0.462 nan 8.380 nan 0.000 0.545 216 R N -0.897 119.520 120.500 -0.138 0.000 2.128 216 R HA 0.045 4.385 4.340 -0.000 0.000 0.211 216 R C -0.636 175.675 176.300 0.018 0.000 1.067 216 R CA 0.839 56.830 56.100 -0.181 0.000 1.010 216 R CB -0.154 29.871 30.300 -0.459 0.000 0.922 216 R HN 0.836 nan 8.270 nan 0.000 0.457 217 D N -1.184 119.262 120.400 0.077 0.000 2.228 217 D HA 0.193 4.833 4.640 -0.000 0.000 0.247 217 D C 0.312 176.635 176.300 0.039 0.000 0.995 217 D CA -0.221 53.833 54.000 0.091 0.000 0.903 217 D CB 1.745 42.660 40.800 0.191 0.000 1.205 217 D HN 0.042 nan 8.370 nan 0.000 0.459 218 A N 1.635 124.454 122.820 -0.001 0.000 1.877 218 A HA 0.089 4.409 4.320 -0.000 0.000 0.216 218 A C -1.460 176.058 177.584 -0.109 0.000 1.186 218 A CA 0.752 52.772 52.037 -0.029 0.000 0.620 218 A CB -1.664 17.321 19.000 -0.025 0.000 0.822 218 A HN 0.577 nan 8.150 nan 0.000 0.443 219 P HA 0.250 nan 4.420 nan 0.000 0.268 219 P C -0.201 176.809 177.300 -0.483 0.000 1.204 219 P CA 0.258 63.059 63.100 -0.498 0.000 0.768 219 P CB 0.663 31.802 31.700 -0.935 0.000 0.842 220 E N 1.106 121.162 120.200 -0.241 0.000 2.281 220 E HA 0.428 4.778 4.350 -0.000 0.000 0.257 220 E C 0.987 177.627 176.600 0.065 0.000 0.971 220 E CA -0.848 55.563 56.400 0.019 0.000 0.839 220 E CB 0.857 30.691 29.700 0.223 0.000 1.238 220 E HN 0.445 nan 8.360 nan 0.000 0.412 221 G N -0.246 108.703 108.800 0.249 0.000 3.591 221 G HA2 0.169 4.129 3.960 -0.000 0.000 0.282 221 G HA3 0.169 4.129 3.960 -0.000 0.000 0.282 221 G C 0.965 175.894 174.900 0.048 0.000 1.238 221 G CA 0.257 45.535 45.100 0.296 0.000 0.993 221 G HN 0.458 nan 8.290 nan 0.000 0.542 222 G N 0.643 109.280 108.800 -0.271 0.000 2.448 222 G HA2 -0.161 3.798 3.960 -0.000 0.000 0.219 222 G HA3 -0.161 3.798 3.960 -0.000 0.000 0.219 222 G C 1.365 176.226 174.900 -0.065 0.000 1.127 222 G CA 0.424 45.041 45.100 -0.805 0.000 0.766 222 G HN 0.333 nan 8.290 nan 0.000 0.552 223 F N 1.611 121.461 119.950 -0.167 0.000 2.186 223 F HA 0.033 4.560 4.527 -0.000 0.000 0.299 223 F C 2.290 178.010 175.800 -0.133 0.000 1.090 223 F CA 0.360 58.259 58.000 -0.168 0.000 1.307 223 F CB -0.626 38.300 39.000 -0.123 0.000 1.019 223 F HN 0.098 nan 8.300 nan 0.000 0.489 224 D N 0.122 120.608 120.400 0.143 0.000 2.116 224 D HA -0.181 4.458 4.640 -0.000 0.000 0.193 224 D C 2.358 178.480 176.300 -0.297 0.000 0.998 224 D CA 1.623 55.602 54.000 -0.035 0.000 0.836 224 D CB -0.451 40.413 40.800 0.107 0.000 0.951 224 D HN 0.206 nan 8.370 nan 0.000 0.449 225 A N 0.294 122.947 122.820 -0.277 0.000 1.930 225 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 225 A C 2.411 179.715 177.584 -0.466 0.000 1.175 225 A CA 0.750 52.450 52.037 -0.562 0.000 0.627 225 A CB -0.613 18.216 19.000 -0.285 0.000 0.815 225 A HN 0.211 nan 8.150 nan 0.000 0.443 226 I N -1.272 119.156 120.570 -0.236 0.000 2.226 226 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 226 I C 2.645 178.622 176.117 -0.232 0.000 1.100 226 I CA 1.884 63.067 61.300 -0.195 0.000 1.374 226 I CB -0.263 37.571 38.000 -0.278 0.000 1.057 226 I HN 0.412 nan 8.210 nan 0.000 0.413 227 M N 0.499 119.949 119.600 -0.250 0.000 2.065 227 M HA -0.245 4.235 4.480 -0.000 0.000 0.259 227 M C 2.273 178.436 176.300 -0.227 0.000 1.069 227 M CA 1.917 57.087 55.300 -0.216 0.000 1.110 227 M CB -0.466 32.028 32.600 -0.178 0.000 1.328 227 M HN 0.086 nan 8.290 nan 0.000 0.405 228 Q N -0.250 119.343 119.800 -0.346 0.000 2.079 228 Q HA 0.013 4.353 4.340 -0.000 0.000 0.200 228 Q C 2.216 178.102 176.000 -0.190 0.000 0.974 228 Q CA 1.847 57.481 55.803 -0.281 0.000 0.840 228 Q CB -0.984 27.538 28.738 -0.360 0.000 0.898 228 Q HN 0.692 nan 8.270 nan 0.000 0.430 229 A N 0.196 122.851 122.820 -0.276 0.000 2.070 229 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 229 A C 2.146 179.755 177.584 0.043 0.000 1.159 229 A CA 1.707 53.655 52.037 -0.149 0.000 0.656 229 A CB -0.371 18.592 19.000 -0.062 0.000 0.800 229 A HN 0.341 nan 8.150 nan 0.000 0.453 230 T N -0.865 113.672 114.554 -0.028 0.000 2.901 230 T HA -0.003 4.347 4.350 -0.000 0.000 0.252 230 T C 1.839 176.508 174.700 -0.052 0.000 1.035 230 T CA 1.598 63.667 62.100 -0.053 0.000 1.142 230 T CB -0.220 68.559 68.868 -0.148 0.000 0.869 230 T HN 0.581 nan 8.240 nan 0.000 0.442 231 V N -1.201 118.674 119.914 -0.065 0.000 3.590 231 V HA 0.243 4.363 4.120 -0.000 0.000 0.265 231 V C 1.100 177.171 176.094 -0.038 0.000 1.239 231 V CA -0.188 62.078 62.300 -0.058 0.000 1.117 231 V CB -1.054 30.730 31.823 -0.066 0.000 0.818 231 V HN 0.363 nan 8.190 nan 0.000 0.451 232 c N 3.192 121.772 118.600 -0.033 0.000 3.057 232 c HA 0.309 4.879 4.570 -0.000 0.000 0.563 232 c C 1.669 175.729 174.090 -0.049 0.000 1.129 232 c CA -0.548 55.754 56.329 -0.045 0.000 1.284 232 c CB -2.072 40.408 42.510 -0.049 0.000 1.532 232 c HN 0.582 nan 8.230 nan 0.000 0.631 233 D N 1.112 121.518 120.400 0.009 0.000 2.104 233 D HA -0.204 4.436 4.640 -0.000 0.000 0.194 233 D C 1.899 178.190 176.300 -0.016 0.000 0.994 233 D CA 1.295 55.344 54.000 0.082 0.000 0.830 233 D CB 0.016 40.855 40.800 0.064 0.000 0.959 233 D HN 0.690 nan 8.370 nan 0.000 0.452 234 E N 0.918 121.097 120.200 -0.036 0.000 2.072 234 E HA -0.159 4.191 4.350 -0.000 0.000 0.190 234 E C 2.084 178.632 176.600 -0.087 0.000 0.982 234 E CA 0.711 57.086 56.400 -0.043 0.000 0.803 234 E CB 0.148 29.834 29.700 -0.023 0.000 0.755 234 E HN 0.072 nan 8.360 nan 0.000 0.453 235 K N 0.099 120.424 120.400 -0.124 0.000 2.057 235 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 235 K C 1.904 178.267 176.600 -0.395 0.000 1.050 235 K CA 1.138 57.307 56.287 -0.196 0.000 0.935 235 K CB -0.000 32.384 32.500 -0.193 0.000 0.715 235 K HN 0.059 nan 8.250 nan 0.000 0.439 236 I N 0.140 120.411 120.570 -0.498 0.000 2.617 236 I HA 0.023 4.193 4.170 -0.000 0.000 0.256 236 I C 1.298 177.092 176.117 -0.539 0.000 1.167 236 I CA 1.387 62.257 61.300 -0.717 0.000 1.469 236 I CB 0.012 37.399 38.000 -1.022 0.000 1.098 236 I HN 0.512 nan 8.210 nan 0.000 0.436 237 G N -0.649 107.933 108.800 -0.364 0.000 2.132 237 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.228 237 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.228 237 G C -0.085 174.729 174.900 -0.143 0.000 1.000 237 G CA -0.424 44.562 45.100 -0.189 0.000 0.693 237 G HN 0.273 nan 8.290 nan 0.000 0.515 238 W N 0.452 121.685 121.300 -0.112 0.000 2.314 238 W HA 0.436 5.096 4.660 -0.000 0.000 0.339 238 W C 1.306 177.798 176.519 -0.045 0.000 1.293 238 W CA -0.403 56.853 57.345 -0.148 0.000 1.288 238 W CB 0.401 29.599 29.460 -0.437 0.000 1.186 238 W HN 0.142 nan 8.180 nan 0.000 0.566 239 R N 2.507 123.217 120.500 0.351 0.000 2.404 239 R HA 0.099 4.439 4.340 -0.000 0.000 0.291 239 R C 1.204 177.699 176.300 0.325 0.000 1.025 239 R CA -0.826 55.426 56.100 0.254 0.000 0.991 239 R CB 0.757 31.160 30.300 0.172 0.000 1.053 239 R HN 0.521 nan 8.270 nan 0.000 0.479 240 N N 1.332 120.142 118.700 0.183 0.000 2.094 240 N HA -0.144 4.596 4.740 -0.000 0.000 0.191 240 N C -0.340 175.252 175.510 0.137 0.000 1.023 240 N CA 1.477 54.623 53.050 0.159 0.000 0.857 240 N CB 0.122 38.664 38.487 0.092 0.000 1.013 240 N HN 0.530 nan 8.380 nan 0.000 0.426 241 D N 0.442 120.883 120.400 0.069 0.000 2.590 241 D HA 0.490 5.130 4.640 -0.000 0.000 0.280 241 D C -0.622 175.551 176.300 -0.212 0.000 1.197 241 D CA 0.029 54.028 54.000 -0.002 0.000 0.967 241 D CB 0.677 41.462 40.800 -0.024 0.000 0.987 241 D HN 0.117 nan 8.370 nan 0.000 0.508 242 A N 0.174 122.916 122.820 -0.130 0.000 2.612 242 A HA 0.552 4.872 4.320 -0.000 0.000 0.293 242 A C -0.319 177.144 177.584 -0.202 0.000 1.075 242 A CA -0.705 51.213 52.037 -0.199 0.000 0.680 242 A CB 1.237 20.210 19.000 -0.045 0.000 1.279 242 A HN 0.068 nan 8.150 nan 0.000 0.411 243 S N 0.839 116.545 115.700 0.009 0.000 2.549 243 S HA 0.337 4.807 4.470 -0.000 0.000 0.283 243 S C -0.480 174.070 174.600 -0.084 0.000 1.320 243 S CA 0.221 58.392 58.200 -0.048 0.000 1.058 243 S CB -0.196 63.131 63.200 0.212 0.000 0.882 243 S HN 0.606 nan 8.310 nan 0.000 0.498 244 H N 1.712 120.824 119.070 0.069 0.000 2.581 244 H HA 0.406 4.962 4.556 -0.000 0.000 0.308 244 H C -0.618 174.723 175.328 0.021 0.000 1.040 244 H CA -0.623 55.429 56.048 0.005 0.000 1.231 244 H CB 0.533 30.000 29.762 -0.492 0.000 1.396 244 H HN 0.315 nan 8.280 nan 0.000 0.467 245 L N 4.486 125.921 121.223 0.353 0.000 2.287 245 L HA 0.262 4.602 4.340 -0.000 0.000 0.287 245 L C -0.800 176.314 176.870 0.408 0.000 1.022 245 L CA -0.949 54.058 54.840 0.278 0.000 0.814 245 L CB 1.477 43.686 42.059 0.250 0.000 1.217 245 L HN 0.395 nan 8.230 nan 0.000 0.420 246 L N 5.604 126.996 121.223 0.282 0.000 2.277 246 L HA 0.401 4.741 4.340 -0.000 0.000 0.284 246 L C -0.432 176.558 176.870 0.200 0.000 1.028 246 L CA -0.256 54.796 54.840 0.355 0.000 0.835 246 L CB 1.496 43.707 42.059 0.253 0.000 1.215 246 L HN 0.245 nan 8.230 nan 0.000 0.425 247 V N 6.237 126.261 119.914 0.183 0.000 2.353 247 V HA 0.246 4.366 4.120 -0.000 0.000 0.264 247 V C -0.243 175.848 176.094 -0.005 0.000 1.049 247 V CA -0.305 62.022 62.300 0.045 0.000 0.896 247 V CB 0.477 32.277 31.823 -0.037 0.000 1.025 247 V HN 0.621 nan 8.190 nan 0.000 0.475 248 F N 5.542 125.453 119.950 -0.066 0.000 2.361 248 F HA 0.578 5.105 4.527 -0.000 0.000 0.364 248 F C 0.636 176.435 175.800 -0.001 0.000 1.120 248 F CA -0.326 57.687 58.000 0.023 0.000 1.102 248 F CB 1.190 40.267 39.000 0.129 0.000 1.183 248 F HN 0.546 nan 8.300 nan 0.000 0.476 249 T N 2.495 116.818 114.554 -0.384 0.000 2.779 249 T HA 0.658 5.008 4.350 -0.000 0.000 0.280 249 T C -0.367 174.109 174.700 -0.373 0.000 0.987 249 T CA -0.551 61.371 62.100 -0.296 0.000 0.966 249 T CB 1.585 70.310 68.868 -0.238 0.000 0.933 249 T HN 0.725 nan 8.240 nan 0.000 0.442 250 T N 1.146 115.557 114.554 -0.240 0.000 2.802 250 T HA 0.448 4.798 4.350 -0.000 0.000 0.311 250 T C -1.091 173.582 174.700 -0.045 0.000 1.405 250 T CA -0.502 61.505 62.100 -0.154 0.000 1.016 250 T CB 1.706 70.510 68.868 -0.106 0.000 1.352 250 T HN 0.749 nan 8.240 nan 0.000 0.498 251 D N 0.696 121.099 120.400 0.005 0.000 2.479 251 D HA 0.548 5.188 4.640 -0.000 0.000 0.218 251 D C 0.175 176.523 176.300 0.080 0.000 1.177 251 D CA -0.185 53.840 54.000 0.042 0.000 0.830 251 D CB 0.424 41.241 40.800 0.028 0.000 1.014 251 D HN 0.650 nan 8.370 nan 0.000 0.503 252 A N -0.074 122.819 122.820 0.121 0.000 2.569 252 A HA 0.601 4.921 4.320 -0.000 0.000 0.290 252 A C -0.319 177.377 177.584 0.187 0.000 1.136 252 A CA -0.964 51.143 52.037 0.117 0.000 0.710 252 A CB 1.479 20.519 19.000 0.068 0.000 1.303 252 A HN -0.024 nan 8.150 nan 0.000 0.413 253 K N -0.261 120.173 120.400 0.056 0.000 2.188 253 K HA 0.409 4.729 4.320 -0.000 0.000 0.246 253 K C -0.013 176.539 176.600 -0.081 0.000 1.026 253 K CA 0.420 56.679 56.287 -0.047 0.000 0.871 253 K CB 0.283 32.705 32.500 -0.131 0.000 1.042 253 K HN 0.594 nan 8.250 nan 0.000 0.509 254 T N 0.144 114.551 114.554 -0.244 0.000 2.900 254 T HA 0.186 4.536 4.350 -0.000 0.000 0.295 254 T C -1.098 173.248 174.700 -0.590 0.000 1.044 254 T CA -0.818 61.022 62.100 -0.432 0.000 0.995 254 T CB 0.576 69.001 68.868 -0.738 0.000 1.072 254 T HN 0.367 nan 8.240 nan 0.000 0.473 255 H N 3.234 121.936 119.070 -0.614 0.000 2.707 255 H HA 0.484 5.040 4.556 -0.000 0.000 0.359 255 H C 0.472 175.323 175.328 -0.794 0.000 1.113 255 H CA 0.036 55.587 56.048 -0.827 0.000 1.422 255 H CB 0.574 29.410 29.762 -1.544 0.000 1.443 255 H HN 0.624 nan 8.280 nan 0.000 0.591 256 I N -1.251 119.097 120.570 -0.370 0.000 3.145 256 I HA 0.652 4.822 4.170 -0.000 0.000 0.313 256 I C -0.018 176.118 176.117 0.033 0.000 1.122 256 I CA -1.632 59.591 61.300 -0.128 0.000 0.987 256 I CB 1.648 39.602 38.000 -0.078 0.000 1.236 256 I HN 0.476 nan 8.210 nan 0.000 0.453 257 A N 3.184 126.085 122.820 0.134 0.000 2.584 257 A HA 0.332 4.652 4.320 -0.000 0.000 0.239 257 A C 0.822 178.477 177.584 0.119 0.000 1.043 257 A CA 0.564 52.695 52.037 0.156 0.000 0.756 257 A CB -0.478 18.590 19.000 0.113 0.000 0.963 257 A HN 1.104 nan 8.150 nan 0.000 0.511 258 L N 0.033 121.339 121.223 0.138 0.000 4.110 258 L HA -0.252 4.088 4.340 -0.000 0.000 0.404 258 L C 0.919 177.859 176.870 0.117 0.000 0.763 258 L CA 0.951 55.854 54.840 0.105 0.000 2.413 258 L CB -1.530 40.572 42.059 0.071 0.000 1.244 258 L HN 0.713 nan 8.230 nan 0.000 0.614 259 D N 0.723 121.209 120.400 0.143 0.000 2.178 259 D HA -0.052 4.588 4.640 -0.000 0.000 0.202 259 D C 1.971 178.406 176.300 0.225 0.000 0.974 259 D CA 1.526 55.607 54.000 0.135 0.000 0.841 259 D CB -0.190 40.597 40.800 -0.022 0.000 0.953 259 D HN 0.564 nan 8.370 nan 0.000 0.478 260 G N 0.482 109.471 108.800 0.315 0.000 2.479 260 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.220 260 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.220 260 G C 1.612 176.586 174.900 0.122 0.000 1.115 260 G CA 0.475 45.712 45.100 0.228 0.000 0.757 260 G HN 0.246 nan 8.290 nan 0.000 0.560 261 R N -0.535 120.021 120.500 0.093 0.000 2.152 261 R HA 0.048 4.388 4.340 -0.000 0.000 0.232 261 R C 2.108 178.421 176.300 0.022 0.000 1.117 261 R CA 0.573 56.700 56.100 0.045 0.000 0.981 261 R CB -0.253 30.071 30.300 0.041 0.000 0.870 261 R HN 0.339 nan 8.270 nan 0.000 0.451 262 L N -0.062 121.182 121.223 0.036 0.000 2.353 262 L HA -0.069 4.271 4.340 -0.000 0.000 0.220 262 L C 1.787 178.573 176.870 -0.141 0.000 1.133 262 L CA 1.530 56.352 54.840 -0.032 0.000 0.798 262 L CB -0.096 41.961 42.059 -0.002 0.000 0.922 262 L HN 0.207 nan 8.230 nan 0.000 0.445 263 A N -1.435 121.315 122.820 -0.118 0.000 2.465 263 A HA 0.525 4.845 4.320 -0.000 0.000 0.255 263 A C 1.593 179.135 177.584 -0.071 0.000 1.274 263 A CA 0.401 52.340 52.037 -0.163 0.000 0.920 263 A CB -0.380 18.546 19.000 -0.123 0.000 1.033 263 A HN 0.396 nan 8.150 nan 0.000 0.516 264 G N -0.352 108.422 108.800 -0.044 0.000 2.148 264 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.254 264 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.254 264 G C 0.039 174.928 174.900 -0.019 0.000 0.981 264 G CA 0.446 45.529 45.100 -0.029 0.000 0.670 264 G HN 0.517 nan 8.290 nan 0.000 0.528 265 I N 1.145 121.709 120.570 -0.010 0.000 2.312 265 I HA 0.382 4.552 4.170 -0.000 0.000 0.290 265 I C 1.498 177.615 176.117 -0.000 0.000 1.008 265 I CA -0.446 60.844 61.300 -0.017 0.000 1.226 265 I CB 1.543 39.522 38.000 -0.035 0.000 1.371 265 I HN 0.091 nan 8.210 nan 0.000 0.468 266 V N 1.551 121.463 119.914 -0.004 0.000 3.612 266 V HA 0.160 4.280 4.120 -0.000 0.000 0.268 266 V C 0.822 176.920 176.094 0.007 0.000 1.365 266 V CA -0.131 62.173 62.300 0.008 0.000 1.044 266 V CB -0.216 31.611 31.823 0.007 0.000 0.820 266 V HN 0.778 nan 8.190 nan 0.000 0.444 267 Q N 2.529 122.326 119.800 -0.005 0.000 2.255 267 Q HA 0.219 4.559 4.340 -0.000 0.000 0.280 267 Q C -2.353 173.651 176.000 0.006 0.000 1.068 267 Q CA -1.493 54.308 55.803 -0.004 0.000 0.911 267 Q CB 0.932 29.658 28.738 -0.019 0.000 1.157 267 Q HN 0.352 nan 8.270 nan 0.000 0.380 268 P HA -0.056 nan 4.420 nan 0.000 0.269 268 P C -0.599 176.724 177.300 0.038 0.000 1.215 268 P CA -0.223 62.895 63.100 0.031 0.000 0.780 268 P CB 0.469 32.188 31.700 0.031 0.000 0.898 269 N N 2.266 120.998 118.700 0.053 0.000 2.454 269 N HA -0.064 4.676 4.740 -0.000 0.000 0.260 269 N C 0.356 175.909 175.510 0.072 0.000 1.218 269 N CA 0.258 53.352 53.050 0.073 0.000 0.904 269 N CB 0.433 38.967 38.487 0.078 0.000 1.065 269 N HN 0.393 nan 8.380 nan 0.000 0.462 270 D N 2.003 122.466 120.400 0.106 0.000 2.349 270 D HA 0.112 4.752 4.640 -0.000 0.000 0.214 270 D C 1.079 177.432 176.300 0.087 0.000 1.063 270 D CA 0.269 54.330 54.000 0.101 0.000 0.847 270 D CB -0.382 40.502 40.800 0.140 0.000 0.933 270 D HN 0.700 nan 8.370 nan 0.000 0.513 271 G N 0.123 108.971 108.800 0.081 0.000 2.187 271 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.261 271 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.261 271 G C -0.006 174.905 174.900 0.019 0.000 1.000 271 G CA 0.313 45.432 45.100 0.033 0.000 0.718 271 G HN 0.401 nan 8.290 nan 0.000 0.519 272 Q N -1.100 118.729 119.800 0.050 0.000 2.297 272 Q HA 0.548 4.888 4.340 -0.000 0.000 0.269 272 Q C 0.448 176.368 176.000 -0.134 0.000 1.051 272 Q CA -0.796 54.969 55.803 -0.063 0.000 0.869 272 Q CB 1.632 30.301 28.738 -0.115 0.000 1.346 272 Q HN 0.438 nan 8.270 nan 0.000 0.457 273 c N 2.383 120.864 118.600 -0.197 0.000 2.585 273 c HA 0.253 4.823 4.570 -0.000 0.000 0.406 273 c C 0.319 174.238 174.090 -0.285 0.000 1.312 273 c CA 0.065 56.316 56.329 -0.130 0.000 1.924 273 c CB -0.793 41.673 42.510 -0.073 0.000 2.578 273 c HN 0.675 nan 8.230 nan 0.000 0.580 274 H N 3.828 123.031 119.070 0.220 0.000 2.637 274 H HA 0.246 4.802 4.556 -0.000 0.000 0.245 274 H C -0.672 174.833 175.328 0.296 0.000 1.190 274 H CA -0.013 56.186 56.048 0.252 0.000 0.934 274 H CB 0.491 30.430 29.762 0.296 0.000 1.950 274 H HN 0.442 nan 8.280 nan 0.000 0.614 275 V N 1.383 121.476 119.914 0.300 0.000 2.313 275 V HA 0.433 4.553 4.120 -0.000 0.000 0.278 275 V C 0.937 177.125 176.094 0.156 0.000 1.017 275 V CA -0.485 61.970 62.300 0.258 0.000 0.823 275 V CB 1.306 33.273 31.823 0.241 0.000 1.010 275 V HN 0.496 nan 8.190 nan 0.000 0.443 276 G N 2.977 111.867 108.800 0.149 0.000 2.695 276 G HA2 0.321 4.281 3.960 -0.000 0.000 0.213 276 G HA3 0.321 4.281 3.960 -0.000 0.000 0.213 276 G C 1.228 176.185 174.900 0.094 0.000 1.406 276 G CA 0.431 45.592 45.100 0.103 0.000 1.049 276 G HN 0.713 nan 8.290 nan 0.000 0.573 277 S N -0.076 115.669 115.700 0.075 0.000 2.423 277 S HA -0.136 4.334 4.470 -0.000 0.000 0.231 277 S C 1.561 176.206 174.600 0.075 0.000 1.014 277 S CA 1.761 60.000 58.200 0.066 0.000 0.965 277 S CB -0.231 62.997 63.200 0.047 0.000 0.785 277 S HN 0.635 nan 8.310 nan 0.000 0.495 278 D N 1.181 121.633 120.400 0.087 0.000 2.363 278 D HA -0.020 4.620 4.640 -0.000 0.000 0.226 278 D C 0.249 176.658 176.300 0.182 0.000 1.020 278 D CA 0.194 54.258 54.000 0.106 0.000 0.892 278 D CB -0.906 39.938 40.800 0.073 0.000 0.900 278 D HN 0.256 nan 8.370 nan 0.000 0.531 279 N N -0.115 118.677 118.700 0.154 0.000 2.800 279 N HA -0.185 4.555 4.740 -0.000 0.000 0.250 279 N C -0.853 174.680 175.510 0.038 0.000 1.078 279 N CA 0.739 53.858 53.050 0.115 0.000 0.804 279 N CB -1.770 36.756 38.487 0.064 0.000 1.135 279 N HN 0.609 nan 8.380 nan 0.000 0.565 280 H N -0.745 118.353 119.070 0.047 0.000 2.533 280 H HA 0.191 4.747 4.556 -0.000 0.000 0.343 280 H C -0.407 175.048 175.328 0.212 0.000 1.160 280 H CA -0.588 55.511 56.048 0.085 0.000 1.218 280 H CB 1.133 30.947 29.762 0.087 0.000 1.566 280 H HN 0.023 nan 8.280 nan 0.000 0.522 281 Y N 2.609 123.064 120.300 0.259 0.000 2.539 281 Y HA -0.031 4.519 4.550 -0.000 0.000 0.352 281 Y C 1.131 177.165 175.900 0.224 0.000 1.004 281 Y CA -0.836 57.438 58.100 0.289 0.000 1.278 281 Y CB 0.415 39.109 38.460 0.389 0.000 1.136 281 Y HN 0.549 nan 8.280 nan 0.000 0.528 282 S N 3.349 119.074 115.700 0.040 0.000 2.496 282 S HA 0.042 4.512 4.470 -0.000 0.000 0.224 282 S C 1.626 176.037 174.600 -0.315 0.000 0.996 282 S CA 0.354 58.505 58.200 -0.082 0.000 0.927 282 S CB -0.135 63.083 63.200 0.030 0.000 0.774 282 S HN 0.697 nan 8.310 nan 0.000 0.524 283 A N 1.247 123.671 122.820 -0.661 0.000 2.278 283 A HA 0.401 4.721 4.320 -0.000 0.000 0.212 283 A C 1.999 179.102 177.584 -0.801 0.000 1.213 283 A CA 0.597 52.206 52.037 -0.713 0.000 0.840 283 A CB -0.775 17.765 19.000 -0.767 0.000 0.866 283 A HN 0.486 nan 8.150 nan 0.000 0.489 284 S N 0.557 115.682 115.700 -0.959 0.000 2.370 284 S HA -0.176 4.294 4.470 -0.000 0.000 0.226 284 S C 2.040 176.516 174.600 -0.207 0.000 1.033 284 S CA 2.474 60.409 58.200 -0.441 0.000 1.011 284 S CB -0.397 62.749 63.200 -0.089 0.000 0.852 284 S HN 0.808 nan 8.310 nan 0.000 0.457 285 T N -1.789 112.661 114.554 -0.173 0.000 3.107 285 T HA 0.151 4.501 4.350 -0.000 0.000 0.249 285 T C 1.183 175.817 174.700 -0.109 0.000 1.096 285 T CA 0.944 62.987 62.100 -0.095 0.000 1.012 285 T CB 0.028 68.866 68.868 -0.051 0.000 0.977 285 T HN 0.505 nan 8.240 nan 0.000 0.527 286 T N -1.756 112.703 114.554 -0.159 0.000 3.058 286 T HA 0.495 4.845 4.350 -0.000 0.000 0.278 286 T C -0.086 174.538 174.700 -0.127 0.000 0.974 286 T CA -0.641 61.380 62.100 -0.131 0.000 0.893 286 T CB -0.022 68.763 68.868 -0.138 0.000 1.138 286 T HN 0.412 nan 8.240 nan 0.000 0.529 287 M N 1.718 121.231 119.600 -0.145 0.000 2.446 287 M HA 0.523 5.003 4.480 -0.000 0.000 0.294 287 M C -1.812 174.429 176.300 -0.097 0.000 1.158 287 M CA -0.631 54.610 55.300 -0.097 0.000 0.899 287 M CB 2.272 34.816 32.600 -0.093 0.000 1.687 287 M HN -0.111 nan 8.290 nan 0.000 0.455 288 D N 1.869 122.237 120.400 -0.053 0.000 2.360 288 D HA 0.158 4.798 4.640 -0.000 0.000 0.242 288 D C -1.049 175.229 176.300 -0.037 0.000 1.184 288 D CA 0.488 54.452 54.000 -0.059 0.000 0.930 288 D CB 0.548 41.371 40.800 0.039 0.000 1.161 288 D HN 0.431 nan 8.370 nan 0.000 0.447 289 Y N 0.865 121.203 120.300 0.062 0.000 2.550 289 Y HA 0.145 4.695 4.550 -0.000 0.000 0.343 289 Y C -1.288 174.657 175.900 0.075 0.000 1.245 289 Y CA -0.966 57.179 58.100 0.077 0.000 1.462 289 Y CB -0.201 38.293 38.460 0.056 0.000 1.340 289 Y HN 0.232 nan 8.280 nan 0.000 0.604 290 P HA 0.114 nan 4.420 nan 0.000 0.281 290 P C -0.820 176.546 177.300 0.110 0.000 1.249 290 P CA -0.600 62.570 63.100 0.117 0.000 0.810 290 P CB 1.361 33.086 31.700 0.040 0.000 1.008 291 S N 1.692 117.423 115.700 0.052 0.000 2.632 291 S HA 0.212 4.682 4.470 -0.000 0.000 0.267 291 S C 1.647 176.224 174.600 -0.038 0.000 1.276 291 S CA -0.719 57.499 58.200 0.031 0.000 0.998 291 S CB 0.041 63.255 63.200 0.023 0.000 0.953 291 S HN 0.352 nan 8.310 nan 0.000 0.547 292 L N 1.328 122.521 121.223 -0.049 0.000 2.042 292 L HA -0.030 4.310 4.340 -0.000 0.000 0.210 292 L C 2.839 179.650 176.870 -0.098 0.000 1.076 292 L CA 1.611 56.382 54.840 -0.116 0.000 0.749 292 L CB -1.420 40.601 42.059 -0.063 0.000 0.893 292 L HN 0.976 nan 8.230 nan 0.000 0.432 293 G N 0.052 108.821 108.800 -0.052 0.000 2.408 293 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 293 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 293 G C 1.585 176.451 174.900 -0.057 0.000 1.150 293 G CA 0.522 45.594 45.100 -0.046 0.000 0.776 293 G HN 0.187 nan 8.290 nan 0.000 0.542 294 L N 0.334 121.524 121.223 -0.053 0.000 2.056 294 L HA 0.142 4.482 4.340 -0.000 0.000 0.207 294 L C 2.884 179.698 176.870 -0.093 0.000 1.078 294 L CA 1.557 56.364 54.840 -0.056 0.000 0.749 294 L CB -0.387 41.653 42.059 -0.032 0.000 0.901 294 L HN 0.230 nan 8.230 nan 0.000 0.433 295 M N -1.487 118.032 119.600 -0.136 0.000 2.080 295 M HA -0.222 4.258 4.480 -0.000 0.000 0.260 295 M C 2.042 178.236 176.300 -0.177 0.000 1.068 295 M CA 2.385 57.566 55.300 -0.198 0.000 1.109 295 M CB -0.733 31.673 32.600 -0.323 0.000 1.342 295 M HN 0.245 nan 8.290 nan 0.000 0.405 296 T N -0.141 114.323 114.554 -0.150 0.000 2.684 296 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 296 T C 1.642 176.280 174.700 -0.104 0.000 1.036 296 T CA 1.781 63.808 62.100 -0.122 0.000 1.148 296 T CB -0.398 68.417 68.868 -0.088 0.000 0.863 296 T HN 0.502 nan 8.240 nan 0.000 0.436 297 E N 0.667 120.815 120.200 -0.086 0.000 2.058 297 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 297 E C 2.090 178.640 176.600 -0.084 0.000 0.997 297 E CA 1.100 57.456 56.400 -0.072 0.000 0.801 297 E CB 0.076 29.742 29.700 -0.055 0.000 0.746 297 E HN 0.212 nan 8.360 nan 0.000 0.450 298 K N 0.419 120.759 120.400 -0.100 0.000 2.062 298 K HA -0.073 4.247 4.320 -0.000 0.000 0.205 298 K C 2.377 178.892 176.600 -0.143 0.000 1.051 298 K CA 0.612 56.832 56.287 -0.111 0.000 0.941 298 K CB -0.544 31.889 32.500 -0.112 0.000 0.719 298 K HN 0.259 nan 8.250 nan 0.000 0.440 299 L N 1.005 122.130 121.223 -0.162 0.000 2.043 299 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 299 L C 2.712 179.487 176.870 -0.158 0.000 1.075 299 L CA 1.475 56.202 54.840 -0.188 0.000 0.752 299 L CB -0.540 41.403 42.059 -0.194 0.000 0.891 299 L HN 0.183 nan 8.230 nan 0.000 0.432 300 S N -0.950 114.678 115.700 -0.120 0.000 2.371 300 S HA -0.246 4.224 4.470 -0.000 0.000 0.224 300 S C 2.008 176.561 174.600 -0.078 0.000 1.029 300 S CA 1.382 59.529 58.200 -0.090 0.000 0.978 300 S CB -0.149 63.008 63.200 -0.072 0.000 0.833 300 S HN 0.457 nan 8.310 nan 0.000 0.466 301 Q N -0.018 119.733 119.800 -0.081 0.000 2.124 301 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 301 Q C 1.079 177.031 176.000 -0.081 0.000 0.977 301 Q CA 1.114 56.877 55.803 -0.068 0.000 0.850 301 Q CB -0.020 28.680 28.738 -0.063 0.000 0.901 301 Q HN 0.319 nan 8.270 nan 0.000 0.429 302 K N 0.753 121.074 120.400 -0.131 0.000 2.404 302 K HA 0.069 4.389 4.320 -0.000 0.000 0.194 302 K C -0.059 176.433 176.600 -0.181 0.000 1.023 302 K CA -0.020 56.153 56.287 -0.191 0.000 1.094 302 K CB 0.192 32.510 32.500 -0.304 0.000 0.841 302 K HN 0.262 nan 8.250 nan 0.000 0.523 303 N N 1.487 120.125 118.700 -0.103 0.000 2.714 303 N HA -0.180 4.560 4.740 -0.000 0.000 0.253 303 N C -0.797 174.683 175.510 -0.049 0.000 1.024 303 N CA 0.699 53.729 53.050 -0.034 0.000 0.726 303 N CB -0.945 37.571 38.487 0.049 0.000 0.908 303 N HN 0.184 nan 8.380 nan 0.000 0.542 304 I N 0.823 121.269 120.570 -0.207 0.000 2.359 304 I HA 0.191 4.361 4.170 -0.000 0.000 0.294 304 I C 0.521 176.526 176.117 -0.186 0.000 0.987 304 I CA -0.478 60.637 61.300 -0.309 0.000 1.225 304 I CB 1.332 39.044 38.000 -0.480 0.000 1.366 304 I HN -0.006 nan 8.210 nan 0.000 0.466 305 N N 5.383 124.006 118.700 -0.128 0.000 2.462 305 N HA 0.318 5.058 4.740 -0.000 0.000 0.242 305 N C -0.508 174.941 175.510 -0.102 0.000 1.010 305 N CA -0.498 52.499 53.050 -0.089 0.000 0.939 305 N CB 1.096 39.567 38.487 -0.026 0.000 1.127 305 N HN 0.377 nan 8.380 nan 0.000 0.509 306 L N 3.706 124.818 121.223 -0.184 0.000 2.331 306 L HA 0.464 4.803 4.340 -0.000 0.000 0.278 306 L C -0.892 175.800 176.870 -0.297 0.000 1.106 306 L CA -0.015 54.658 54.840 -0.278 0.000 0.824 306 L CB 0.263 42.043 42.059 -0.465 0.000 1.142 306 L HN 0.489 nan 8.230 nan 0.000 0.443 307 I N 5.738 126.180 120.570 -0.213 0.000 2.382 307 I HA 0.246 4.416 4.170 -0.000 0.000 0.286 307 I C -0.973 175.100 176.117 -0.073 0.000 1.002 307 I CA -0.388 60.844 61.300 -0.113 0.000 1.135 307 I CB 1.022 39.035 38.000 0.020 0.000 1.288 307 I HN 0.380 nan 8.210 nan 0.000 0.448 308 F N 5.328 125.335 119.950 0.095 0.000 2.404 308 F HA 0.436 4.963 4.527 -0.000 0.000 0.359 308 F C 0.783 176.623 175.800 0.068 0.000 1.134 308 F CA -0.735 57.327 58.000 0.105 0.000 1.160 308 F CB 0.914 39.973 39.000 0.099 0.000 1.186 308 F HN 0.435 nan 8.300 nan 0.000 0.526 309 A N 4.819 127.776 122.820 0.227 0.000 2.412 309 A HA 0.683 5.003 4.320 -0.000 0.000 0.334 309 A C -0.584 177.034 177.584 0.057 0.000 1.419 309 A CA -0.484 51.621 52.037 0.113 0.000 0.930 309 A CB -0.102 18.932 19.000 0.057 0.000 1.149 309 A HN 0.633 nan 8.150 nan 0.000 0.515 310 V N 0.246 120.192 119.914 0.055 0.000 3.040 310 V HA 0.881 5.001 4.120 -0.000 0.000 0.312 310 V C 0.163 176.290 176.094 0.055 0.000 1.115 310 V CA -0.265 62.038 62.300 0.005 0.000 0.998 310 V CB 1.194 32.957 31.823 -0.100 0.000 1.042 310 V HN 0.866 nan 8.190 nan 0.000 0.433 311 T N -1.292 113.295 114.554 0.056 0.000 2.788 311 T HA 0.313 4.663 4.350 -0.000 0.000 0.287 311 T C 0.849 175.593 174.700 0.073 0.000 1.007 311 T CA 0.626 62.763 62.100 0.061 0.000 1.005 311 T CB 1.037 69.936 68.868 0.052 0.000 1.012 311 T HN 0.925 nan 8.240 nan 0.000 0.530 312 E N 0.848 121.084 120.200 0.060 0.000 2.153 312 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 312 E C 2.103 178.734 176.600 0.052 0.000 0.988 312 E CA 1.308 57.741 56.400 0.055 0.000 0.811 312 E CB -0.094 29.632 29.700 0.043 0.000 0.746 312 E HN 0.764 nan 8.360 nan 0.000 0.466 313 N N 0.210 118.940 118.700 0.050 0.000 2.381 313 N HA -0.128 4.612 4.740 -0.000 0.000 0.182 313 N C 1.467 177.005 175.510 0.048 0.000 1.025 313 N CA 1.594 54.669 53.050 0.041 0.000 0.888 313 N CB 0.062 38.571 38.487 0.037 0.000 0.965 313 N HN 0.215 nan 8.380 nan 0.000 0.438 314 V N -3.692 116.276 119.914 0.090 0.000 3.276 314 V HA 0.303 4.423 4.120 -0.000 0.000 0.319 314 V C 1.845 178.044 176.094 0.174 0.000 1.427 314 V CA -0.393 61.983 62.300 0.127 0.000 1.102 314 V CB -0.103 31.874 31.823 0.257 0.000 1.020 314 V HN -0.091 nan 8.190 nan 0.000 0.456 315 V N 1.906 121.895 119.914 0.124 0.000 2.287 315 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 315 V C 2.661 178.801 176.094 0.077 0.000 1.053 315 V CA 2.867 65.242 62.300 0.125 0.000 1.027 315 V CB -0.732 31.144 31.823 0.088 0.000 0.646 315 V HN 0.637 nan 8.190 nan 0.000 0.447 316 N N -0.029 118.680 118.700 0.015 0.000 2.104 316 N HA -0.165 4.575 4.740 -0.000 0.000 0.190 316 N C 1.657 177.097 175.510 -0.118 0.000 1.024 316 N CA 1.503 54.532 53.050 -0.035 0.000 0.853 316 N CB -0.652 37.807 38.487 -0.048 0.000 1.008 316 N HN 0.401 nan 8.380 nan 0.000 0.424 317 L N 0.246 121.354 121.223 -0.191 0.000 1.971 317 L HA -0.185 4.155 4.340 -0.000 0.000 0.215 317 L C 1.797 178.313 176.870 -0.589 0.000 1.072 317 L CA 1.746 56.310 54.840 -0.460 0.000 0.758 317 L CB -0.916 40.833 42.059 -0.517 0.000 0.889 317 L HN 0.126 nan 8.230 nan 0.000 0.433 318 Y N -0.956 119.207 120.300 -0.229 0.000 2.373 318 Y HA -0.155 4.395 4.550 -0.000 0.000 0.293 318 Y C 2.697 178.573 175.900 -0.040 0.000 1.129 318 Y CA 1.277 59.245 58.100 -0.220 0.000 1.226 318 Y CB -0.436 37.860 38.460 -0.274 0.000 1.000 318 Y HN 0.374 nan 8.280 nan 0.000 0.549 319 Q N 0.837 120.705 119.800 0.114 0.000 2.124 319 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 319 Q C 1.493 177.528 176.000 0.059 0.000 0.977 319 Q CA 1.928 57.801 55.803 0.117 0.000 0.850 319 Q CB -0.289 28.494 28.738 0.074 0.000 0.901 319 Q HN 0.294 nan 8.270 nan 0.000 0.429 320 N N -1.044 117.617 118.700 -0.066 0.000 2.216 320 N HA -0.102 4.638 4.740 -0.000 0.000 0.183 320 N C 1.201 176.698 175.510 -0.021 0.000 1.017 320 N CA 1.023 54.016 53.050 -0.096 0.000 0.861 320 N CB -0.351 38.007 38.487 -0.215 0.000 0.986 320 N HN 0.304 nan 8.380 nan 0.000 0.428 321 Y N 1.088 121.383 120.300 -0.008 0.000 2.181 321 Y HA -0.046 4.503 4.550 -0.000 0.000 0.288 321 Y C 2.734 178.731 175.900 0.163 0.000 1.146 321 Y CA 0.394 58.524 58.100 0.050 0.000 1.164 321 Y CB -0.993 37.469 38.460 0.002 0.000 0.982 321 Y HN 0.020 nan 8.280 nan 0.000 0.515 322 S N -0.094 115.851 115.700 0.409 0.000 2.387 322 S HA -0.253 4.217 4.470 -0.000 0.000 0.230 322 S C 1.885 176.592 174.600 0.178 0.000 1.035 322 S CA 1.761 60.166 58.200 0.342 0.000 1.014 322 S CB -0.248 63.146 63.200 0.324 0.000 0.836 322 S HN 0.582 nan 8.310 nan 0.000 0.466 323 E N 0.064 120.345 120.200 0.136 0.000 2.268 323 E HA -0.032 4.318 4.350 -0.000 0.000 0.195 323 E C 1.606 178.249 176.600 0.072 0.000 0.995 323 E CA 0.889 57.338 56.400 0.081 0.000 0.836 323 E CB -0.085 29.647 29.700 0.053 0.000 0.763 323 E HN 0.515 nan 8.360 nan 0.000 0.491 324 L N 0.351 121.636 121.223 0.104 0.000 2.592 324 L HA 0.185 4.525 4.340 -0.000 0.000 0.227 324 L C 0.556 177.458 176.870 0.053 0.000 1.127 324 L CA 0.106 54.994 54.840 0.081 0.000 0.884 324 L CB 0.409 42.536 42.059 0.114 0.000 1.065 324 L HN 0.035 nan 8.230 nan 0.000 0.457 325 I N 0.663 121.270 120.570 0.061 0.000 2.750 325 I HA 0.269 4.439 4.170 -0.000 0.000 0.279 325 I C -2.399 173.714 176.117 -0.005 0.000 1.206 325 I CA -1.746 59.558 61.300 0.006 0.000 1.101 325 I CB 1.047 39.041 38.000 -0.010 0.000 1.431 325 I HN -0.213 nan 8.210 nan 0.000 0.551 326 P HA 0.058 nan 4.420 nan 0.000 0.265 326 P C 1.076 178.356 177.300 -0.033 0.000 1.187 326 P CA 0.911 64.002 63.100 -0.015 0.000 0.766 326 P CB 0.676 32.362 31.700 -0.023 0.000 0.820 327 G N 1.249 110.033 108.800 -0.026 0.000 2.176 327 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.253 327 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.253 327 G C 0.334 175.203 174.900 -0.052 0.000 0.979 327 G CA 0.156 45.234 45.100 -0.037 0.000 0.641 327 G HN 0.610 nan 8.290 nan 0.000 0.530 328 T N 1.759 116.281 114.554 -0.054 0.000 2.913 328 T HA 0.545 4.895 4.350 -0.000 0.000 0.297 328 T C 0.676 175.363 174.700 -0.022 0.000 1.029 328 T CA 0.838 62.880 62.100 -0.096 0.000 1.104 328 T CB 1.453 70.252 68.868 -0.115 0.000 0.964 328 T HN 0.990 nan 8.240 nan 0.000 0.532 329 T N -0.739 113.795 114.554 -0.033 0.000 2.887 329 T HA 0.722 5.072 4.350 -0.000 0.000 0.288 329 T C -0.700 174.060 174.700 0.101 0.000 1.021 329 T CA -0.787 61.338 62.100 0.041 0.000 1.000 329 T CB 1.282 70.170 68.868 0.032 0.000 1.034 329 T HN 0.291 nan 8.240 nan 0.000 0.467 330 V N 1.411 121.416 119.914 0.151 0.000 2.604 330 V HA 0.865 4.985 4.120 -0.000 0.000 0.305 330 V C 0.589 176.772 176.094 0.148 0.000 1.043 330 V CA -0.500 61.928 62.300 0.212 0.000 0.888 330 V CB 1.726 33.696 31.823 0.245 0.000 0.995 330 V HN 1.333 nan 8.190 nan 0.000 0.429 331 G N 2.217 111.105 108.800 0.146 0.000 2.563 331 G HA2 0.600 4.560 3.960 -0.000 0.000 0.302 331 G HA3 0.600 4.560 3.960 -0.000 0.000 0.302 331 G C -1.312 173.652 174.900 0.107 0.000 1.301 331 G CA -0.631 44.535 45.100 0.111 0.000 0.965 331 G HN 0.510 nan 8.290 nan 0.000 0.480 332 V N 1.918 121.884 119.914 0.088 0.000 2.389 332 V HA 0.244 4.364 4.120 -0.000 0.000 0.264 332 V C 0.140 176.277 176.094 0.072 0.000 1.049 332 V CA -0.425 61.922 62.300 0.078 0.000 0.932 332 V CB 0.783 32.646 31.823 0.067 0.000 1.011 332 V HN 0.596 nan 8.190 nan 0.000 0.475 333 L N 6.299 127.563 121.223 0.069 0.000 2.292 333 L HA 0.500 4.840 4.340 -0.000 0.000 0.284 333 L C 0.839 177.744 176.870 0.059 0.000 1.065 333 L CA 0.573 55.452 54.840 0.065 0.000 0.806 333 L CB 1.657 43.750 42.059 0.057 0.000 1.175 333 L HN 0.811 nan 8.230 nan 0.000 0.431 334 S N 4.789 120.525 115.700 0.060 0.000 2.600 334 S HA 0.121 4.591 4.470 -0.000 0.000 0.265 334 S C 1.123 175.754 174.600 0.051 0.000 1.325 334 S CA -0.592 57.640 58.200 0.053 0.000 1.002 334 S CB 0.575 63.806 63.200 0.052 0.000 0.921 334 S HN 0.702 nan 8.310 nan 0.000 0.554 335 M N 1.408 121.035 119.600 0.045 0.000 2.549 335 M HA -0.013 4.467 4.480 -0.000 0.000 0.260 335 M C 0.517 176.842 176.300 0.042 0.000 1.076 335 M CA 0.999 56.323 55.300 0.040 0.000 1.090 335 M CB -1.485 31.136 32.600 0.034 0.000 1.418 335 M HN 0.919 nan 8.290 nan 0.000 0.486 336 D N -2.454 117.977 120.400 0.052 0.000 2.535 336 D HA 0.142 4.782 4.640 -0.000 0.000 0.229 336 D C 0.212 176.560 176.300 0.079 0.000 1.238 336 D CA -0.007 54.031 54.000 0.063 0.000 0.824 336 D CB -0.061 40.780 40.800 0.069 0.000 1.045 336 D HN 0.031 nan 8.370 nan 0.000 0.500 337 S N -0.752 114.996 115.700 0.080 0.000 3.476 337 S HA -0.260 4.210 4.470 -0.000 0.000 0.309 337 S C 1.387 176.043 174.600 0.093 0.000 1.222 337 S CA 0.942 59.204 58.200 0.103 0.000 0.922 337 S CB -2.225 61.062 63.200 0.145 0.000 1.023 337 S HN 0.643 nan 8.310 nan 0.000 0.591 338 S N 1.475 117.219 115.700 0.073 0.000 2.515 338 S HA -0.097 4.373 4.470 -0.000 0.000 0.231 338 S C 1.226 175.859 174.600 0.055 0.000 0.987 338 S CA 0.839 59.075 58.200 0.059 0.000 0.936 338 S CB -0.316 62.917 63.200 0.054 0.000 0.766 338 S HN 0.840 nan 8.310 nan 0.000 0.528 339 N N 0.788 119.527 118.700 0.064 0.000 2.214 339 N HA 0.127 4.867 4.740 -0.000 0.000 0.214 339 N C 0.982 176.537 175.510 0.075 0.000 1.132 339 N CA -0.007 53.079 53.050 0.061 0.000 0.856 339 N CB 0.026 38.547 38.487 0.057 0.000 1.020 339 N HN 0.281 nan 8.380 nan 0.000 0.509 340 V N 0.430 120.403 119.914 0.098 0.000 2.667 340 V HA -0.073 4.047 4.120 -0.000 0.000 0.252 340 V C 2.063 178.230 176.094 0.122 0.000 1.065 340 V CA 0.857 63.238 62.300 0.136 0.000 1.083 340 V CB -0.427 31.532 31.823 0.226 0.000 0.692 340 V HN 0.328 nan 8.190 nan 0.000 0.468 341 L N 0.475 121.746 121.223 0.080 0.000 1.994 341 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 341 L C 2.384 179.285 176.870 0.051 0.000 1.071 341 L CA 2.754 57.622 54.840 0.047 0.000 0.745 341 L CB -1.074 40.992 42.059 0.012 0.000 0.892 341 L HN 0.422 nan 8.230 nan 0.000 0.431 342 Q N -0.515 119.315 119.800 0.051 0.000 2.167 342 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 342 Q C 2.242 178.283 176.000 0.067 0.000 0.970 342 Q CA 1.968 57.803 55.803 0.053 0.000 0.855 342 Q CB -0.546 28.219 28.738 0.046 0.000 0.911 342 Q HN 0.659 nan 8.270 nan 0.000 0.438 343 L N -0.568 120.701 121.223 0.076 0.000 2.017 343 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 343 L C 1.995 178.922 176.870 0.096 0.000 1.073 343 L CA 1.330 56.221 54.840 0.085 0.000 0.745 343 L CB -0.182 41.931 42.059 0.091 0.000 0.894 343 L HN 0.313 nan 8.230 nan 0.000 0.432 344 I N -1.279 119.352 120.570 0.102 0.000 2.252 344 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 344 I C 2.331 178.519 176.117 0.119 0.000 1.102 344 I CA 1.012 62.379 61.300 0.111 0.000 1.385 344 I CB -0.235 37.829 38.000 0.107 0.000 1.064 344 I HN 0.079 nan 8.210 nan 0.000 0.414 345 V N 0.693 120.665 119.914 0.097 0.000 2.427 345 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 345 V C 1.952 178.134 176.094 0.147 0.000 1.051 345 V CA 1.854 64.224 62.300 0.116 0.000 1.048 345 V CB -0.666 31.202 31.823 0.074 0.000 0.666 345 V HN 0.390 nan 8.190 nan 0.000 0.456 346 D N 0.523 120.988 120.400 0.108 0.000 2.149 346 D HA -0.059 4.581 4.640 -0.000 0.000 0.201 346 D C 2.248 178.605 176.300 0.095 0.000 0.972 346 D CA 1.507 55.561 54.000 0.091 0.000 0.835 346 D CB -0.355 40.488 40.800 0.071 0.000 0.966 346 D HN 0.419 nan 8.370 nan 0.000 0.476 347 A N 0.368 123.254 122.820 0.110 0.000 1.877 347 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 347 A C 2.194 179.853 177.584 0.125 0.000 1.186 347 A CA 1.305 53.404 52.037 0.104 0.000 0.620 347 A CB -1.147 17.918 19.000 0.108 0.000 0.822 347 A HN 0.299 nan 8.150 nan 0.000 0.443 348 Y N 0.980 121.303 120.300 0.038 0.000 2.114 348 Y HA -0.167 4.383 4.550 -0.000 0.000 0.282 348 Y C 2.462 178.378 175.900 0.027 0.000 1.165 348 Y CA 1.556 59.677 58.100 0.034 0.000 1.148 348 Y CB -0.866 37.617 38.460 0.039 0.000 0.972 348 Y HN 0.219 nan 8.280 nan 0.000 0.504 349 G N -0.334 108.458 108.800 -0.013 0.000 2.421 349 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.216 349 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.216 349 G C 1.765 176.607 174.900 -0.095 0.000 1.171 349 G CA 0.930 45.972 45.100 -0.097 0.000 0.775 349 G HN 0.395 nan 8.290 nan 0.000 0.543 350 K N -0.123 120.257 120.400 -0.033 0.000 2.063 350 K HA 0.006 4.326 4.320 -0.000 0.000 0.208 350 K C 2.493 179.066 176.600 -0.045 0.000 1.048 350 K CA 0.967 57.241 56.287 -0.022 0.000 0.928 350 K CB -0.250 32.256 32.500 0.011 0.000 0.713 350 K HN 0.358 nan 8.250 nan 0.000 0.442 351 I N 0.674 121.206 120.570 -0.063 0.000 2.208 351 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 351 I C 1.508 177.557 176.117 -0.112 0.000 1.097 351 I CA 1.321 62.577 61.300 -0.072 0.000 1.363 351 I CB -0.034 37.935 38.000 -0.053 0.000 1.051 351 I HN 0.089 nan 8.210 nan 0.000 0.413 352 R N 0.197 120.570 120.500 -0.211 0.000 2.568 352 R HA 0.106 4.446 4.340 -0.000 0.000 0.288 352 R C 1.225 177.459 176.300 -0.110 0.000 1.077 352 R CA 0.319 56.297 56.100 -0.203 0.000 1.102 352 R CB 0.053 30.118 30.300 -0.391 0.000 1.278 352 R HN 0.321 nan 8.270 nan 0.000 0.560 353 S N -0.583 115.078 115.700 -0.066 0.000 2.554 353 S HA 0.207 4.677 4.470 -0.000 0.000 0.226 353 S C 0.270 174.869 174.600 -0.003 0.000 0.980 353 S CA -0.391 57.790 58.200 -0.031 0.000 0.939 353 S CB 0.336 63.519 63.200 -0.028 0.000 0.832 353 S HN 0.070 nan 8.310 nan 0.000 0.486 354 K N 0.699 121.108 120.400 0.014 0.000 2.422 354 K HA 0.672 4.992 4.320 -0.000 0.000 0.251 354 K C -1.757 174.871 176.600 0.047 0.000 0.933 354 K CA -0.793 55.508 56.287 0.023 0.000 0.798 354 K CB 2.666 35.171 32.500 0.008 0.000 1.238 354 K HN 0.006 nan 8.250 nan 0.000 0.428 355 V N 1.931 121.860 119.914 0.025 0.000 2.443 355 V HA 0.288 4.408 4.120 -0.000 0.000 0.293 355 V C -0.830 175.224 176.094 -0.066 0.000 1.021 355 V CA -0.631 61.646 62.300 -0.039 0.000 0.848 355 V CB 1.493 33.324 31.823 0.013 0.000 0.998 355 V HN 0.799 nan 8.190 nan 0.000 0.424 356 E N 5.109 125.208 120.200 -0.168 0.000 2.220 356 E HA 0.494 4.844 4.350 -0.000 0.000 0.256 356 E C -1.172 175.238 176.600 -0.316 0.000 0.881 356 E CA -0.640 55.631 56.400 -0.215 0.000 0.766 356 E CB 1.369 30.982 29.700 -0.144 0.000 1.187 356 E HN 0.636 nan 8.360 nan 0.000 0.419 357 L N 3.510 124.447 121.223 -0.478 0.000 2.416 357 L HA 0.290 4.630 4.340 -0.000 0.000 0.272 357 L C 0.378 177.028 176.870 -0.367 0.000 1.161 357 L CA 0.354 54.903 54.840 -0.486 0.000 0.845 357 L CB 0.739 42.363 42.059 -0.725 0.000 1.119 357 L HN 0.625 nan 8.230 nan 0.000 0.464 358 E N 1.752 121.812 120.200 -0.232 0.000 2.238 358 E HA 0.544 4.894 4.350 -0.000 0.000 0.267 358 E C -1.571 174.993 176.600 -0.059 0.000 0.887 358 E CA -0.710 55.603 56.400 -0.145 0.000 0.769 358 E CB 2.478 32.120 29.700 -0.098 0.000 1.187 358 E HN 0.262 nan 8.360 nan 0.000 0.416 359 V N 4.192 124.098 119.914 -0.013 0.000 2.409 359 V HA 0.488 4.608 4.120 -0.000 0.000 0.291 359 V C -0.351 175.788 176.094 0.076 0.000 1.020 359 V CA -0.651 61.704 62.300 0.090 0.000 0.848 359 V CB 1.514 33.412 31.823 0.125 0.000 0.990 359 V HN 0.631 nan 8.190 nan 0.000 0.430 360 R N 3.018 123.590 120.500 0.120 0.000 2.562 360 R HA 0.511 4.851 4.340 -0.000 0.000 0.298 360 R C -0.576 175.807 176.300 0.138 0.000 0.961 360 R CA -0.683 55.473 56.100 0.093 0.000 0.881 360 R CB 1.320 31.660 30.300 0.067 0.000 1.159 360 R HN 0.778 nan 8.270 nan 0.000 0.450 361 D N 0.994 121.448 120.400 0.089 0.000 2.981 361 D HA -0.178 4.462 4.640 -0.000 0.000 0.223 361 D C -0.386 175.977 176.300 0.104 0.000 1.151 361 D CA 0.650 54.708 54.000 0.097 0.000 0.827 361 D CB -0.893 39.977 40.800 0.116 0.000 1.101 361 D HN 0.226 nan 8.370 nan 0.000 0.426 362 L N 1.293 122.522 121.223 0.010 0.000 2.534 362 L HA 0.220 4.560 4.340 -0.000 0.000 0.271 362 L C -1.732 175.084 176.870 -0.089 0.000 1.178 362 L CA -0.498 54.234 54.840 -0.181 0.000 0.907 362 L CB 0.121 42.036 42.059 -0.240 0.000 1.164 362 L HN -0.213 nan 8.230 nan 0.000 0.482 363 P HA 0.019 nan 4.420 nan 0.000 0.266 363 P C 0.360 177.639 177.300 -0.035 0.000 1.195 363 P CA -0.119 62.981 63.100 0.001 0.000 0.768 363 P CB 0.637 32.389 31.700 0.087 0.000 0.838 364 E N 2.562 122.745 120.200 -0.027 0.000 2.136 364 E HA -0.299 4.051 4.350 -0.000 0.000 0.202 364 E C 1.074 177.645 176.600 -0.047 0.000 1.019 364 E CA 2.098 58.476 56.400 -0.038 0.000 0.819 364 E CB -0.367 29.312 29.700 -0.035 0.000 0.739 364 E HN 0.458 nan 8.360 nan 0.000 0.458 365 E N -0.172 119.996 120.200 -0.054 0.000 2.208 365 E HA 0.086 4.436 4.350 -0.000 0.000 0.193 365 E C 0.224 176.801 176.600 -0.038 0.000 0.988 365 E CA 0.338 56.696 56.400 -0.069 0.000 0.828 365 E CB -0.071 29.543 29.700 -0.143 0.000 0.763 365 E HN 0.289 nan 8.360 nan 0.000 0.478 366 L N 0.760 121.968 121.223 -0.024 0.000 2.371 366 L HA 0.251 4.591 4.340 -0.000 0.000 0.272 366 L C 0.047 176.871 176.870 -0.076 0.000 1.124 366 L CA -0.313 54.506 54.840 -0.034 0.000 0.816 366 L CB 1.291 43.298 42.059 -0.087 0.000 1.129 366 L HN -0.057 nan 8.230 nan 0.000 0.448 367 S N 3.052 118.713 115.700 -0.065 0.000 2.536 367 S HA 0.727 5.197 4.470 -0.000 0.000 0.298 367 S C -0.628 173.911 174.600 -0.103 0.000 1.083 367 S CA -0.589 57.569 58.200 -0.071 0.000 0.995 367 S CB 1.713 64.885 63.200 -0.046 0.000 1.058 367 S HN 0.327 nan 8.310 nan 0.000 0.488 368 L N 2.306 123.458 121.223 -0.118 0.000 2.354 368 L HA 0.712 5.052 4.340 -0.000 0.000 0.269 368 L C -0.289 176.428 176.870 -0.256 0.000 1.005 368 L CA -0.667 54.020 54.840 -0.254 0.000 0.819 368 L CB 2.207 44.077 42.059 -0.316 0.000 1.311 368 L HN 0.723 nan 8.230 nan 0.000 0.423 369 S N 0.537 115.980 115.700 -0.429 0.000 2.542 369 S HA 0.824 5.294 4.470 -0.000 0.000 0.293 369 S C -1.081 173.219 174.600 -0.500 0.000 1.089 369 S CA -0.717 57.327 58.200 -0.260 0.000 0.961 369 S CB 1.823 64.949 63.200 -0.123 0.000 1.062 369 S HN 0.290 nan 8.310 nan 0.000 0.483 370 F N 0.893 120.811 119.950 -0.054 0.000 2.556 370 F HA 0.553 5.080 4.527 -0.000 0.000 0.314 370 F C -0.159 175.652 175.800 0.018 0.000 1.106 370 F CA -0.807 57.174 58.000 -0.032 0.000 0.911 370 F CB 1.962 40.930 39.000 -0.054 0.000 1.190 370 F HN 0.468 nan 8.300 nan 0.000 0.448 371 N N 1.683 120.504 118.700 0.201 0.000 2.342 371 N HA 0.693 5.433 4.740 -0.000 0.000 0.293 371 N C -1.028 174.608 175.510 0.210 0.000 1.026 371 N CA -0.639 52.504 53.050 0.154 0.000 0.857 371 N CB 2.112 40.634 38.487 0.058 0.000 1.256 371 N HN 0.704 nan 8.380 nan 0.000 0.484 372 A N 1.131 124.053 122.820 0.169 0.000 2.317 372 A HA 0.668 4.988 4.320 -0.000 0.000 0.327 372 A C -0.355 177.156 177.584 -0.122 0.000 1.178 372 A CA -0.440 51.624 52.037 0.045 0.000 0.817 372 A CB 0.483 19.600 19.000 0.194 0.000 1.189 372 A HN 0.474 nan 8.150 nan 0.000 0.489 373 T N 2.606 116.984 114.554 -0.293 0.000 2.963 373 T HA 0.376 4.726 4.350 -0.000 0.000 0.343 373 T C 0.147 174.690 174.700 -0.262 0.000 1.146 373 T CA -0.332 61.641 62.100 -0.212 0.000 1.016 373 T CB -0.172 68.597 68.868 -0.166 0.000 1.046 373 T HN 0.731 nan 8.240 nan 0.000 0.496 374 c N 1.647 120.140 118.600 -0.179 0.000 1.735 374 c HA 0.413 4.982 4.570 -0.000 0.000 0.301 374 c C 2.431 176.462 174.090 -0.099 0.000 3.001 374 c CA -0.694 55.545 56.329 -0.150 0.000 1.848 374 c CB -0.537 41.919 42.510 -0.090 0.000 2.299 374 c HN 0.911 nan 8.230 nan 0.000 0.308 375 L N 2.291 123.476 121.223 -0.065 0.000 2.083 375 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 375 L C 2.464 179.310 176.870 -0.040 0.000 1.083 375 L CA 1.931 56.744 54.840 -0.046 0.000 0.752 375 L CB -0.540 41.501 42.059 -0.030 0.000 0.899 375 L HN 0.780 nan 8.230 nan 0.000 0.433 376 N N 0.002 118.680 118.700 -0.037 0.000 2.272 376 N HA -0.307 4.433 4.740 -0.000 0.000 0.185 376 N C 0.872 176.362 175.510 -0.033 0.000 1.014 376 N CA 1.494 54.526 53.050 -0.030 0.000 0.870 376 N CB -0.733 37.738 38.487 -0.026 0.000 0.975 376 N HN 0.427 nan 8.380 nan 0.000 0.433 377 N N -0.456 118.217 118.700 -0.045 0.000 2.990 377 N HA -0.155 4.585 4.740 -0.000 0.000 0.247 377 N C -1.486 173.999 175.510 -0.042 0.000 1.096 377 N CA 0.817 53.839 53.050 -0.046 0.000 0.797 377 N CB -1.342 37.124 38.487 -0.035 0.000 1.114 377 N HN 0.694 nan 8.380 nan 0.000 0.549 378 E N -1.209 118.964 120.200 -0.044 0.000 2.392 378 E HA 0.589 4.939 4.350 -0.000 0.000 0.269 378 E C -0.725 175.850 176.600 -0.040 0.000 0.924 378 E CA -1.005 55.374 56.400 -0.035 0.000 0.784 378 E CB 2.082 31.767 29.700 -0.025 0.000 1.292 378 E HN -0.022 nan 8.360 nan 0.000 0.447 379 V N 2.415 122.311 119.914 -0.030 0.000 2.432 379 V HA 0.302 4.422 4.120 -0.000 0.000 0.275 379 V C -0.223 175.865 176.094 -0.010 0.000 1.043 379 V CA -0.231 62.054 62.300 -0.025 0.000 0.925 379 V CB 0.576 32.389 31.823 -0.017 0.000 0.985 379 V HN 0.469 nan 8.190 nan 0.000 0.466 380 I N 8.137 128.706 120.570 -0.002 0.000 2.359 380 I HA 0.362 4.532 4.170 -0.000 0.000 0.284 380 I C -2.216 173.923 176.117 0.037 0.000 1.018 380 I CA -1.887 59.422 61.300 0.015 0.000 1.173 380 I CB 2.055 40.065 38.000 0.017 0.000 1.326 380 I HN 0.446 nan 8.210 nan 0.000 0.462 381 P HA 0.165 nan 4.420 nan 0.000 0.276 381 P C 0.641 177.975 177.300 0.056 0.000 1.244 381 P CA 0.159 63.285 63.100 0.043 0.000 0.801 381 P CB 1.132 32.847 31.700 0.024 0.000 1.006 382 G N -0.082 108.763 108.800 0.075 0.000 2.198 382 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.260 382 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.260 382 G C -0.518 174.434 174.900 0.087 0.000 1.025 382 G CA 0.143 45.291 45.100 0.081 0.000 0.769 382 G HN 0.583 nan 8.290 nan 0.000 0.507 383 L N -0.508 120.785 121.223 0.117 0.000 2.410 383 L HA 0.733 5.073 4.340 -0.000 0.000 0.270 383 L C 0.577 177.503 176.870 0.093 0.000 0.983 383 L CA -0.513 54.375 54.840 0.080 0.000 0.822 383 L CB 1.568 43.680 42.059 0.087 0.000 1.285 383 L HN 0.207 nan 8.230 nan 0.000 0.409 384 K N 1.304 121.627 120.400 -0.129 0.000 2.564 384 K HA 0.428 4.748 4.320 -0.000 0.000 0.205 384 K C -0.697 175.617 176.600 -0.477 0.000 1.053 384 K CA -0.148 55.834 56.287 -0.508 0.000 1.072 384 K CB 0.593 32.460 32.500 -1.054 0.000 0.822 384 K HN 0.454 nan 8.250 nan 0.000 0.497 385 S N -0.275 115.388 115.700 -0.063 0.000 2.536 385 S HA 0.586 5.056 4.470 -0.000 0.000 0.271 385 S C -0.699 173.996 174.600 0.160 0.000 1.134 385 S CA -0.793 57.418 58.200 0.018 0.000 0.897 385 S CB 1.397 64.552 63.200 -0.074 0.000 1.094 385 S HN 0.234 nan 8.310 nan 0.000 0.473 386 c N 2.983 121.683 118.600 0.167 0.000 2.493 386 c HA 0.811 5.381 4.570 -0.000 0.000 0.326 386 c C -0.006 174.107 174.090 0.039 0.000 1.200 386 c CA -0.598 55.783 56.329 0.086 0.000 1.739 386 c CB 0.817 43.358 42.510 0.051 0.000 2.300 386 c HN 0.960 nan 8.230 nan 0.000 0.500 387 M N 0.961 120.571 119.600 0.018 0.000 2.691 387 M HA 0.584 5.064 4.480 -0.000 0.000 0.293 387 M C 0.905 177.206 176.300 0.002 0.000 1.259 387 M CA -0.016 55.289 55.300 0.008 0.000 0.827 387 M CB 1.665 34.269 32.600 0.006 0.000 1.753 387 M HN 0.940 nan 8.290 nan 0.000 0.465 388 G N 0.925 109.725 108.800 -0.001 0.000 2.160 388 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.251 388 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.251 388 G C -0.599 174.297 174.900 -0.006 0.000 1.008 388 G CA -0.293 44.805 45.100 -0.003 0.000 0.724 388 G HN 0.369 nan 8.290 nan 0.000 0.514 389 L N -0.116 121.103 121.223 -0.007 0.000 2.466 389 L HA 0.557 4.897 4.340 -0.000 0.000 0.257 389 L C 0.891 177.753 176.870 -0.014 0.000 1.189 389 L CA -0.037 54.798 54.840 -0.009 0.000 0.813 389 L CB 0.606 42.665 42.059 -0.001 0.000 1.118 389 L HN 0.053 nan 8.230 nan 0.000 0.471 390 K N 1.332 121.725 120.400 -0.013 0.000 2.221 390 K HA 0.500 4.820 4.320 -0.000 0.000 0.243 390 K C -0.619 175.970 176.600 -0.018 0.000 0.968 390 K CA -0.888 55.390 56.287 -0.015 0.000 0.846 390 K CB 1.567 34.064 32.500 -0.005 0.000 1.141 390 K HN 0.377 nan 8.250 nan 0.000 0.434 391 I N 1.153 121.709 120.570 -0.023 0.000 2.668 391 I HA -0.039 4.131 4.170 -0.000 0.000 0.285 391 I C 1.338 177.456 176.117 0.001 0.000 1.168 391 I CA 1.263 62.551 61.300 -0.020 0.000 1.424 391 I CB 0.082 38.077 38.000 -0.008 0.000 1.377 391 I HN 1.005 nan 8.210 nan 0.000 0.560 392 G N 3.953 112.755 108.800 0.003 0.000 2.238 392 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 392 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 392 G C -0.016 174.889 174.900 0.008 0.000 0.996 392 G CA -0.556 44.550 45.100 0.010 0.000 0.632 392 G HN 0.551 nan 8.290 nan 0.000 0.503 393 D N 1.429 121.832 120.400 0.005 0.000 2.362 393 D HA 0.553 5.193 4.640 -0.000 0.000 0.242 393 D C 0.345 176.648 176.300 0.005 0.000 1.132 393 D CA 0.815 54.815 54.000 -0.000 0.000 0.907 393 D CB 1.166 41.962 40.800 -0.006 0.000 1.195 393 D HN 0.137 nan 8.370 nan 0.000 0.429 394 T N 0.380 114.928 114.554 -0.009 0.000 2.841 394 T HA 0.562 4.912 4.350 -0.000 0.000 0.283 394 T C -0.076 174.590 174.700 -0.056 0.000 1.000 394 T CA -0.784 61.308 62.100 -0.014 0.000 0.977 394 T CB 1.460 70.322 68.868 -0.011 0.000 0.979 394 T HN 0.238 nan 8.240 nan 0.000 0.446 395 V N -0.012 119.850 119.914 -0.086 0.000 3.074 395 V HA 1.033 5.153 4.120 -0.000 0.000 0.314 395 V C -0.430 175.504 176.094 -0.267 0.000 1.117 395 V CA -1.038 61.136 62.300 -0.210 0.000 1.014 395 V CB 1.933 33.589 31.823 -0.279 0.000 1.057 395 V HN 1.032 nan 8.190 nan 0.000 0.438 396 S N 0.832 116.264 115.700 -0.446 0.000 2.569 396 S HA 0.888 5.358 4.470 -0.000 0.000 0.280 396 S C -1.394 172.830 174.600 -0.628 0.000 1.111 396 S CA -0.587 57.403 58.200 -0.349 0.000 0.887 396 S CB 1.790 64.901 63.200 -0.149 0.000 1.095 396 S HN 0.803 nan 8.310 nan 0.000 0.476 397 F N 0.813 120.770 119.950 0.012 0.000 2.547 397 F HA 0.624 5.151 4.527 -0.000 0.000 0.316 397 F C 0.531 176.329 175.800 -0.004 0.000 1.121 397 F CA -0.654 57.365 58.000 0.031 0.000 0.911 397 F CB 2.386 41.441 39.000 0.090 0.000 1.179 397 F HN 0.663 nan 8.300 nan 0.000 0.443 398 S N 3.981 119.754 115.700 0.123 0.000 2.513 398 S HA 0.717 5.187 4.470 -0.000 0.000 0.276 398 S C -0.577 173.942 174.600 -0.134 0.000 1.254 398 S CA -0.334 57.853 58.200 -0.021 0.000 1.053 398 S CB 0.052 63.231 63.200 -0.034 0.000 0.958 398 S HN 0.479 nan 8.310 nan 0.000 0.491 399 I N 3.705 124.030 120.570 -0.407 0.000 2.498 399 I HA 0.429 4.599 4.170 -0.000 0.000 0.290 399 I C -0.220 175.435 176.117 -0.770 0.000 1.032 399 I CA -0.585 60.260 61.300 -0.758 0.000 1.073 399 I CB 2.097 39.423 38.000 -1.124 0.000 1.251 399 I HN 0.597 nan 8.210 nan 0.000 0.426 400 E N 4.886 124.752 120.200 -0.558 0.000 2.199 400 E HA 0.696 5.046 4.350 -0.000 0.000 0.265 400 E C -1.302 175.161 176.600 -0.229 0.000 0.882 400 E CA -0.719 55.492 56.400 -0.315 0.000 0.759 400 E CB 1.948 31.533 29.700 -0.192 0.000 1.148 400 E HN 0.732 nan 8.360 nan 0.000 0.412 401 A N 4.816 127.612 122.820 -0.041 0.000 2.276 401 A HA 0.429 4.749 4.320 -0.000 0.000 0.316 401 A C -0.674 176.930 177.584 0.033 0.000 1.229 401 A CA -0.637 51.425 52.037 0.043 0.000 0.851 401 A CB 0.758 19.900 19.000 0.237 0.000 1.165 401 A HN 0.574 nan 8.150 nan 0.000 0.513 402 K N 2.723 123.126 120.400 0.005 0.000 2.323 402 K HA 0.556 4.876 4.320 -0.000 0.000 0.259 402 K C -1.356 175.265 176.600 0.036 0.000 0.947 402 K CA -0.463 55.834 56.287 0.017 0.000 0.819 402 K CB 1.793 34.288 32.500 -0.008 0.000 1.109 402 K HN 0.519 nan 8.250 nan 0.000 0.429 403 V N 4.902 124.858 119.914 0.070 0.000 2.509 403 V HA 0.393 4.513 4.120 -0.000 0.000 0.284 403 V C -0.566 175.535 176.094 0.011 0.000 1.047 403 V CA -0.658 61.688 62.300 0.077 0.000 0.952 403 V CB 1.247 33.185 31.823 0.191 0.000 0.988 403 V HN 0.855 nan 8.190 nan 0.000 0.469 404 R N 5.137 125.620 120.500 -0.029 0.000 2.229 404 R HA 0.580 4.920 4.340 -0.000 0.000 0.328 404 R C 0.626 176.880 176.300 -0.076 0.000 1.009 404 R CA 0.743 56.817 56.100 -0.044 0.000 0.864 404 R CB 0.704 30.977 30.300 -0.045 0.000 1.085 404 R HN 1.289 nan 8.270 nan 0.000 0.453 405 G N 2.627 111.390 108.800 -0.061 0.000 2.564 405 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.273 405 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.273 405 G C -0.901 173.930 174.900 -0.116 0.000 1.242 405 G CA 0.071 45.125 45.100 -0.077 0.000 0.951 405 G HN 0.831 nan 8.290 nan 0.000 0.564 406 c N 2.872 121.380 118.600 -0.152 0.000 2.516 406 c HA 0.749 5.319 4.570 -0.000 0.000 0.338 406 c C -1.763 172.160 174.090 -0.278 0.000 1.132 406 c CA -0.463 55.725 56.329 -0.234 0.000 1.310 406 c CB 0.738 43.171 42.510 -0.129 0.000 1.898 406 c HN 0.914 nan 8.230 nan 0.000 0.452 407 P HA 0.172 nan 4.420 nan 0.000 0.274 407 P C 0.384 177.563 177.300 -0.202 0.000 1.256 407 P CA 0.056 62.954 63.100 -0.337 0.000 0.795 407 P CB 0.664 32.081 31.700 -0.472 0.000 1.038 408 Q N 0.078 119.806 119.800 -0.120 0.000 2.046 408 Q HA -0.122 4.218 4.340 -0.000 0.000 0.200 408 Q C 0.037 176.022 176.000 -0.025 0.000 0.975 408 Q CA 1.273 57.039 55.803 -0.061 0.000 0.836 408 Q CB 0.070 28.783 28.738 -0.042 0.000 0.896 408 Q HN 0.529 nan 8.270 nan 0.000 0.428 409 E N 1.065 121.261 120.200 -0.006 0.000 2.223 409 E HA 0.034 4.384 4.350 -0.000 0.000 0.282 409 E C 0.204 176.895 176.600 0.152 0.000 1.046 409 E CA -0.348 56.087 56.400 0.058 0.000 0.857 409 E CB 0.987 30.729 29.700 0.070 0.000 1.055 409 E HN 0.082 nan 8.360 nan 0.000 0.409 410 K N 1.998 122.497 120.400 0.165 0.000 2.418 410 K HA 0.071 4.391 4.320 -0.000 0.000 0.195 410 K C -0.088 176.665 176.600 0.256 0.000 1.035 410 K CA 0.623 57.077 56.287 0.278 0.000 1.003 410 K CB 0.335 32.923 32.500 0.147 0.000 0.793 410 K HN 0.500 nan 8.250 nan 0.000 0.494 411 E N 1.067 121.362 120.200 0.160 0.000 2.244 411 E HA 0.319 4.669 4.350 -0.000 0.000 0.260 411 E C -0.714 175.936 176.600 0.084 0.000 0.884 411 E CA -0.330 56.105 56.400 0.058 0.000 0.777 411 E CB 2.021 31.728 29.700 0.012 0.000 1.197 411 E HN -0.067 nan 8.360 nan 0.000 0.416 412 K N 0.722 121.161 120.400 0.065 0.000 2.466 412 K HA 0.622 4.942 4.320 -0.000 0.000 0.260 412 K C -0.846 175.786 176.600 0.054 0.000 1.011 412 K CA -0.896 55.452 56.287 0.102 0.000 0.871 412 K CB 2.204 34.832 32.500 0.215 0.000 1.404 412 K HN 0.536 nan 8.250 nan 0.000 0.450 413 S N 0.314 116.068 115.700 0.090 0.000 2.537 413 S HA 0.766 5.236 4.470 -0.000 0.000 0.270 413 S C -1.083 173.605 174.600 0.147 0.000 1.142 413 S CA -0.947 57.275 58.200 0.036 0.000 0.870 413 S CB 0.766 63.932 63.200 -0.057 0.000 1.112 413 S HN 0.593 nan 8.310 nan 0.000 0.466 414 F N -0.829 119.109 119.950 -0.020 0.000 2.675 414 F HA 0.938 5.465 4.527 -0.000 0.000 0.324 414 F C -0.898 174.903 175.800 0.000 0.000 1.106 414 F CA -0.935 57.067 58.000 0.003 0.000 0.970 414 F CB 1.213 40.229 39.000 0.026 0.000 1.385 414 F HN 0.562 nan 8.300 nan 0.000 0.489 415 T N 2.041 116.699 114.554 0.173 0.000 2.876 415 T HA 0.643 4.993 4.350 -0.000 0.000 0.289 415 T C -0.787 174.014 174.700 0.168 0.000 1.014 415 T CA -0.449 61.682 62.100 0.051 0.000 0.986 415 T CB 1.710 70.602 68.868 0.040 0.000 1.021 415 T HN 0.578 nan 8.240 nan 0.000 0.458 416 I N 2.650 123.280 120.570 0.100 0.000 2.382 416 I HA 0.483 4.653 4.170 -0.000 0.000 0.286 416 I C -0.183 175.950 176.117 0.028 0.000 1.002 416 I CA -0.697 60.676 61.300 0.121 0.000 1.135 416 I CB 1.562 39.687 38.000 0.208 0.000 1.288 416 I HN 0.348 nan 8.210 nan 0.000 0.448 417 K N 8.236 128.626 120.400 -0.017 0.000 2.471 417 K HA 0.527 4.847 4.320 -0.000 0.000 0.252 417 K C -2.804 173.715 176.600 -0.134 0.000 0.938 417 K CA -1.751 54.506 56.287 -0.049 0.000 0.796 417 K CB 2.701 35.196 32.500 -0.008 0.000 1.161 417 K HN 0.114 nan 8.250 nan 0.000 0.425 418 P HA -0.015 nan 4.420 nan 0.000 0.268 418 P C -0.558 176.634 177.300 -0.181 0.000 1.204 418 P CA -0.460 62.395 63.100 -0.408 0.000 0.768 418 P CB 0.602 31.654 31.700 -1.081 0.000 0.842 419 V N 3.523 123.360 119.914 -0.129 0.000 2.557 419 V HA 0.159 4.279 4.120 -0.000 0.000 0.301 419 V C 1.775 177.938 176.094 0.115 0.000 1.026 419 V CA 1.941 64.228 62.300 -0.021 0.000 1.137 419 V CB -0.672 31.125 31.823 -0.044 0.000 0.917 419 V HN 1.049 nan 8.190 nan 0.000 0.484 420 G N 4.120 112.985 108.800 0.108 0.000 2.179 420 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.260 420 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.260 420 G C -0.108 174.890 174.900 0.164 0.000 0.977 420 G CA -0.054 45.115 45.100 0.114 0.000 0.641 420 G HN 0.487 nan 8.290 nan 0.000 0.533 421 F N -0.054 119.854 119.950 -0.070 0.000 2.377 421 F HA 0.689 5.216 4.527 -0.000 0.000 0.328 421 F C 1.339 177.114 175.800 -0.042 0.000 1.094 421 F CA -0.713 57.240 58.000 -0.079 0.000 1.093 421 F CB 1.594 40.547 39.000 -0.078 0.000 1.214 421 F HN -0.056 nan 8.300 nan 0.000 0.518 422 K N 0.505 120.957 120.400 0.087 0.000 2.031 422 K HA -0.035 4.285 4.320 -0.000 0.000 0.205 422 K C -0.066 176.595 176.600 0.101 0.000 1.049 422 K CA 1.213 57.550 56.287 0.084 0.000 0.939 422 K CB -0.090 32.458 32.500 0.080 0.000 0.717 422 K HN 0.489 nan 8.250 nan 0.000 0.438 423 D N -0.094 120.383 120.400 0.128 0.000 2.312 423 D HA 0.202 4.842 4.640 -0.000 0.000 0.248 423 D C -0.278 176.078 176.300 0.093 0.000 1.086 423 D CA 0.059 54.121 54.000 0.104 0.000 0.948 423 D CB 1.596 42.458 40.800 0.104 0.000 1.162 423 D HN 0.307 nan 8.370 nan 0.000 0.446 424 S N -0.109 115.621 115.700 0.051 0.000 2.596 424 S HA 0.521 4.991 4.470 -0.000 0.000 0.270 424 S C -1.357 173.247 174.600 0.005 0.000 1.155 424 S CA -1.026 57.188 58.200 0.024 0.000 0.827 424 S CB 1.436 64.646 63.200 0.016 0.000 1.130 424 S HN 0.239 nan 8.310 nan 0.000 0.467 425 L N 1.914 123.134 121.223 -0.005 0.000 2.262 425 L HA 0.620 4.960 4.340 -0.000 0.000 0.288 425 L C -1.040 175.767 176.870 -0.105 0.000 1.035 425 L CA -0.723 54.096 54.840 -0.035 0.000 0.820 425 L CB 0.171 42.236 42.059 0.011 0.000 1.204 425 L HN 0.750 nan 8.230 nan 0.000 0.424 426 I N 5.873 126.357 120.570 -0.143 0.000 2.371 426 I HA 0.259 4.429 4.170 -0.000 0.000 0.290 426 I C -0.503 175.400 176.117 -0.358 0.000 1.028 426 I CA -0.618 60.549 61.300 -0.221 0.000 1.345 426 I CB 1.363 39.273 38.000 -0.150 0.000 1.407 426 I HN 0.279 nan 8.210 nan 0.000 0.501 427 V N 6.950 126.496 119.914 -0.614 0.000 2.328 427 V HA 0.224 4.344 4.120 -0.000 0.000 0.278 427 V C -0.059 175.684 176.094 -0.585 0.000 1.021 427 V CA -0.685 61.152 62.300 -0.770 0.000 0.838 427 V CB 1.158 32.184 31.823 -1.327 0.000 0.999 427 V HN 0.679 nan 8.190 nan 0.000 0.447 428 Q N 3.712 123.289 119.800 -0.372 0.000 2.349 428 Q HA 0.489 4.829 4.340 -0.000 0.000 0.254 428 Q C -0.850 175.005 176.000 -0.242 0.000 0.980 428 Q CA -0.399 55.256 55.803 -0.247 0.000 0.924 428 Q CB 2.056 30.683 28.738 -0.184 0.000 1.209 428 Q HN 0.612 nan 8.270 nan 0.000 0.445 429 V N 2.651 122.436 119.914 -0.215 0.000 2.427 429 V HA 0.381 4.501 4.120 -0.000 0.000 0.286 429 V C 0.101 175.946 176.094 -0.414 0.000 1.034 429 V CA -0.513 61.595 62.300 -0.321 0.000 0.893 429 V CB 1.722 33.342 31.823 -0.338 0.000 0.982 429 V HN 0.699 nan 8.190 nan 0.000 0.452 430 T N 5.165 119.459 114.554 -0.434 0.000 2.807 430 T HA 0.609 4.959 4.350 -0.000 0.000 0.279 430 T C -0.657 173.785 174.700 -0.430 0.000 0.993 430 T CA -0.115 61.782 62.100 -0.338 0.000 0.970 430 T CB 0.732 69.500 68.868 -0.166 0.000 0.950 430 T HN 0.321 nan 8.240 nan 0.000 0.441 431 F N 2.277 122.220 119.950 -0.012 0.000 2.391 431 F HA 0.292 4.819 4.527 -0.000 0.000 0.359 431 F C 0.903 176.688 175.800 -0.026 0.000 1.122 431 F CA -0.823 57.167 58.000 -0.016 0.000 1.120 431 F CB 0.860 39.853 39.000 -0.012 0.000 1.142 431 F HN 0.403 nan 8.300 nan 0.000 0.483 432 D N 3.800 124.271 120.400 0.119 0.000 2.518 432 D HA 0.239 4.879 4.640 -0.000 0.000 0.230 432 D C -0.061 176.262 176.300 0.037 0.000 1.138 432 D CA -0.050 53.976 54.000 0.043 0.000 0.964 432 D CB 0.520 41.315 40.800 -0.009 0.000 1.011 432 D HN 0.572 nan 8.370 nan 0.000 0.517 433 c N 1.490 120.114 118.600 0.040 0.000 3.183 433 c HA 0.325 4.895 4.570 -0.000 0.000 0.285 433 c C 0.444 174.521 174.090 -0.023 0.000 1.313 433 c CA -0.635 55.698 56.329 0.008 0.000 1.711 433 c CB -0.229 42.284 42.510 0.005 0.000 2.135 433 c HN 0.379 nan 8.230 nan 0.000 0.651 434 D N -0.162 120.225 120.400 -0.022 0.000 2.350 434 D HA 0.404 5.044 4.640 -0.000 0.000 0.238 434 D C -0.774 175.498 176.300 -0.047 0.000 0.989 434 D CA 0.006 53.979 54.000 -0.045 0.000 0.921 434 D CB 1.741 42.522 40.800 -0.032 0.000 1.297 434 D HN 0.167 nan 8.370 nan 0.000 0.490 435 c N 0.947 119.504 118.600 -0.073 0.000 2.358 435 c HA 0.519 5.089 4.570 -0.000 0.000 0.342 435 c C 1.925 175.994 174.090 -0.035 0.000 1.234 435 c CA -0.536 55.758 56.329 -0.060 0.000 1.969 435 c CB 0.707 43.143 42.510 -0.123 0.000 2.346 435 c HN 0.793 nan 8.230 nan 0.000 0.525 436 A N 1.325 124.142 122.820 -0.005 0.000 1.940 436 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 436 A C 1.987 179.574 177.584 0.005 0.000 1.176 436 A CA 2.392 54.432 52.037 0.005 0.000 0.631 436 A CB -0.932 18.081 19.000 0.021 0.000 0.814 436 A HN 1.129 nan 8.150 nan 0.000 0.446 437 c N -1.178 117.426 118.600 0.007 0.000 2.449 437 c HA -0.006 4.564 4.570 -0.000 0.000 0.283 437 c C 2.336 176.417 174.090 -0.015 0.000 1.453 437 c CA 0.550 56.886 56.329 0.011 0.000 1.779 437 c CB -1.779 40.750 42.510 0.031 0.000 1.779 437 c HN 0.641 nan 8.230 nan 0.000 0.546 438 Q N 1.759 121.534 119.800 -0.041 0.000 2.124 438 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 438 Q C 2.637 178.627 176.000 -0.016 0.000 0.977 438 Q CA 1.804 57.579 55.803 -0.047 0.000 0.850 438 Q CB -0.335 28.366 28.738 -0.062 0.000 0.901 438 Q HN 0.847 nan 8.270 nan 0.000 0.429 439 A N 0.974 123.791 122.820 -0.005 0.000 2.067 439 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 439 A C 1.401 178.996 177.584 0.019 0.000 1.158 439 A CA 0.992 53.033 52.037 0.007 0.000 0.661 439 A CB -0.025 18.979 19.000 0.008 0.000 0.801 439 A HN 0.315 nan 8.150 nan 0.000 0.452 440 Q N -0.134 119.682 119.800 0.027 0.000 2.268 440 Q HA 0.483 4.823 4.340 -0.000 0.000 0.289 440 Q C 0.147 176.186 176.000 0.065 0.000 0.893 440 Q CA -0.185 55.646 55.803 0.047 0.000 1.057 440 Q CB 0.403 29.174 28.738 0.054 0.000 1.173 440 Q HN 0.569 nan 8.270 nan 0.000 0.449 441 A N 1.528 124.377 122.820 0.048 0.000 2.327 441 A HA 0.231 4.551 4.320 -0.000 0.000 0.255 441 A C -0.136 177.507 177.584 0.098 0.000 1.099 441 A CA -0.108 51.967 52.037 0.062 0.000 0.801 441 A CB 0.512 19.524 19.000 0.020 0.000 1.062 441 A HN 0.351 nan 8.150 nan 0.000 0.496 442 E N 0.938 121.223 120.200 0.142 0.000 2.325 442 E HA 0.376 4.726 4.350 -0.000 0.000 0.248 442 E C -2.780 173.891 176.600 0.119 0.000 0.912 442 E CA -2.082 54.401 56.400 0.139 0.000 0.782 442 E CB 1.616 31.427 29.700 0.185 0.000 1.264 442 E HN 0.488 nan 8.360 nan 0.000 0.417 443 P HA 0.139 nan 4.420 nan 0.000 0.277 443 P C -0.689 176.649 177.300 0.065 0.000 1.240 443 P CA -0.187 62.954 63.100 0.068 0.000 0.798 443 P CB 0.585 32.318 31.700 0.056 0.000 0.979 444 N N -1.825 116.910 118.700 0.059 0.000 2.727 444 N HA -0.160 4.580 4.740 -0.000 0.000 0.249 444 N C -0.199 175.342 175.510 0.053 0.000 1.048 444 N CA 0.805 53.886 53.050 0.052 0.000 0.714 444 N CB -1.889 36.630 38.487 0.055 0.000 0.959 444 N HN 0.426 nan 8.380 nan 0.000 0.544 445 S N -0.656 115.078 115.700 0.056 0.000 2.505 445 S HA 0.060 4.530 4.470 -0.000 0.000 0.276 445 S C 1.548 176.171 174.600 0.038 0.000 1.274 445 S CA -0.151 58.082 58.200 0.055 0.000 1.053 445 S CB 0.700 63.945 63.200 0.075 0.000 0.919 445 S HN 0.505 nan 8.310 nan 0.000 0.490 446 H N 5.019 124.067 119.070 -0.037 0.000 2.460 446 H HA -0.089 4.467 4.556 -0.000 0.000 0.297 446 H C 1.716 177.009 175.328 -0.058 0.000 1.103 446 H CA 2.136 58.158 56.048 -0.044 0.000 1.292 446 H CB 0.132 29.866 29.762 -0.048 0.000 1.376 446 H HN 0.673 nan 8.280 nan 0.000 0.531 447 R N -0.884 119.493 120.500 -0.205 0.000 2.236 447 R HA 0.134 4.474 4.340 -0.000 0.000 0.208 447 R C 0.023 176.240 176.300 -0.140 0.000 1.036 447 R CA 0.664 56.611 56.100 -0.254 0.000 1.001 447 R CB 0.267 30.389 30.300 -0.297 0.000 0.896 447 R HN 0.204 nan 8.270 nan 0.000 0.464 448 c N 2.213 120.765 118.600 -0.081 0.000 2.317 448 c HA 0.292 4.862 4.570 -0.000 0.000 0.306 448 c C 0.089 174.124 174.090 -0.091 0.000 1.087 448 c CA -1.148 55.160 56.329 -0.034 0.000 1.529 448 c CB -0.371 42.160 42.510 0.036 0.000 1.880 448 c HN 0.565 nan 8.230 nan 0.000 0.417 449 N N 2.852 121.487 118.700 -0.108 0.000 2.735 449 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 449 N C -0.131 175.308 175.510 -0.118 0.000 1.083 449 N CA 1.265 54.242 53.050 -0.123 0.000 0.703 449 N CB -1.435 36.955 38.487 -0.163 0.000 1.005 449 N HN 0.884 nan 8.380 nan 0.000 0.550 450 N N -1.575 117.050 118.700 -0.125 0.000 2.756 450 N HA -0.138 4.602 4.740 -0.000 0.000 0.248 450 N C 0.992 176.475 175.510 -0.045 0.000 1.062 450 N CA 2.303 55.298 53.050 -0.091 0.000 0.696 450 N CB -1.469 36.984 38.487 -0.057 0.000 0.946 450 N HN 0.967 nan 8.380 nan 0.000 0.548 451 G N -1.373 107.400 108.800 -0.044 0.000 2.213 451 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.236 451 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.236 451 G C 0.904 175.791 174.900 -0.022 0.000 0.991 451 G CA 0.300 45.397 45.100 -0.005 0.000 0.629 451 G HN 0.461 nan 8.290 nan 0.000 0.517 452 N N 1.260 119.904 118.700 -0.092 0.000 2.409 452 N HA 0.124 4.864 4.740 -0.000 0.000 0.179 452 N C 1.339 176.710 175.510 -0.231 0.000 1.032 452 N CA 1.356 54.292 53.050 -0.189 0.000 0.898 452 N CB 0.193 38.437 38.487 -0.405 0.000 0.971 452 N HN 0.749 nan 8.380 nan 0.000 0.441 453 G N -0.960 107.750 108.800 -0.149 0.000 3.013 453 G HA2 0.532 4.492 3.960 -0.000 0.000 0.278 453 G HA3 0.532 4.492 3.960 -0.000 0.000 0.278 453 G C -1.076 173.821 174.900 -0.005 0.000 1.353 453 G CA -0.216 44.821 45.100 -0.106 0.000 1.043 453 G HN -0.083 nan 8.290 nan 0.000 0.523 454 T N 0.283 114.848 114.554 0.020 0.000 2.807 454 T HA 0.394 4.744 4.350 -0.000 0.000 0.279 454 T C -1.364 173.401 174.700 0.108 0.000 0.993 454 T CA -0.156 61.984 62.100 0.067 0.000 0.970 454 T CB 1.473 70.365 68.868 0.040 0.000 0.950 454 T HN 0.331 nan 8.240 nan 0.000 0.441 455 F N 4.686 124.637 119.950 0.002 0.000 2.335 455 F HA 0.391 4.918 4.527 -0.000 0.000 0.365 455 F C 0.378 176.192 175.800 0.023 0.000 1.122 455 F CA -0.758 57.251 58.000 0.015 0.000 1.151 455 F CB 0.286 39.298 39.000 0.021 0.000 1.282 455 F HN 0.595 nan 8.300 nan 0.000 0.513 456 E N 3.822 123.824 120.200 -0.329 0.000 2.234 456 E HA 0.406 4.756 4.350 -0.000 0.000 0.266 456 E C -0.257 176.140 176.600 -0.337 0.000 0.877 456 E CA -1.046 55.200 56.400 -0.257 0.000 0.758 456 E CB 1.160 30.777 29.700 -0.139 0.000 1.170 456 E HN 0.652 nan 8.360 nan 0.000 0.415 457 c N 3.256 121.731 118.600 -0.208 0.000 4.268 457 c HA -0.113 4.457 4.570 -0.000 0.000 0.299 457 c C 1.532 175.665 174.090 0.073 0.000 1.429 457 c CA 0.935 57.255 56.329 -0.016 0.000 2.018 457 c CB -2.342 40.127 42.510 -0.068 0.000 1.277 457 c HN 1.404 nan 8.230 nan 0.000 0.767 458 G N -2.518 106.076 108.800 -0.342 0.000 2.217 458 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.246 458 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.246 458 G C -0.024 174.701 174.900 -0.292 0.000 0.990 458 G CA 0.365 45.312 45.100 -0.255 0.000 0.627 458 G HN 1.328 nan 8.290 nan 0.000 0.522 459 V N 0.158 119.869 119.914 -0.337 0.000 3.074 459 V HA 0.638 4.758 4.120 -0.000 0.000 0.314 459 V C 0.467 176.461 176.094 -0.167 0.000 1.117 459 V CA -0.630 61.608 62.300 -0.104 0.000 1.014 459 V CB 2.116 34.009 31.823 0.116 0.000 1.057 459 V HN 0.389 nan 8.190 nan 0.000 0.438 460 c N 3.455 122.058 118.600 0.005 0.000 2.369 460 c HA 0.605 5.175 4.570 -0.000 0.000 0.358 460 c C 0.237 174.319 174.090 -0.013 0.000 1.274 460 c CA -0.844 55.505 56.329 0.032 0.000 1.935 460 c CB -0.120 42.430 42.510 0.066 0.000 2.431 460 c HN 0.675 nan 8.230 nan 0.000 0.545 461 R N 1.764 122.249 120.500 -0.026 0.000 2.514 461 R HA 0.328 4.668 4.340 -0.000 0.000 0.301 461 R C -0.703 175.570 176.300 -0.044 0.000 0.962 461 R CA -0.432 55.647 56.100 -0.036 0.000 0.882 461 R CB 1.393 31.666 30.300 -0.044 0.000 1.143 461 R HN 0.766 nan 8.270 nan 0.000 0.452 462 C N 2.908 122.181 119.300 -0.046 0.000 2.651 462 C HA 0.272 4.732 4.460 -0.000 0.000 0.410 462 C C 1.526 176.519 174.990 0.005 0.000 1.372 462 C CA 0.119 59.091 59.018 -0.078 0.000 1.707 462 C CB -0.598 27.123 27.740 -0.032 0.000 2.501 462 C HN 0.852 nan 8.230 nan 0.000 0.598 463 G N 6.227 115.026 108.800 -0.002 0.000 2.570 463 G HA2 0.449 4.409 3.960 -0.000 0.000 0.276 463 G HA3 0.449 4.409 3.960 -0.000 0.000 0.276 463 G C -2.578 172.495 174.900 0.287 0.000 1.346 463 G CA -0.369 44.812 45.100 0.135 0.000 1.034 463 G HN 0.627 nan 8.290 nan 0.000 0.512 464 P HA 0.377 nan 4.420 nan 0.000 0.297 464 P C -0.474 176.912 177.300 0.142 0.000 1.331 464 P CA -0.172 63.025 63.100 0.162 0.000 0.803 464 P CB 1.539 33.293 31.700 0.089 0.000 0.929 465 G N 2.815 111.626 108.800 0.018 0.000 2.557 465 G HA2 0.539 4.499 3.960 -0.000 0.000 0.310 465 G HA3 0.539 4.499 3.960 -0.000 0.000 0.310 465 G C -1.711 173.138 174.900 -0.085 0.000 1.328 465 G CA -0.457 44.659 45.100 0.027 0.000 0.945 465 G HN 0.353 nan 8.290 nan 0.000 0.494 466 W N 0.000 121.300 121.300 0.000 0.000 2.388 466 W HA 0.000 4.660 4.660 0.000 0.000 0.303 466 W CA 0.000 57.346 57.345 0.001 0.000 1.226 466 W CB 0.000 29.462 29.460 0.004 0.000 1.126 466 W HN 0.000 nan 8.180 nan 0.000 0.535