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 1ouk_1_A DATA FIRST_RESID 4 DATA SEQUENCE ERPTFYRQEL NKTIWEVPER YQNLSPVGSG AYGSVCAAFD TKTGLRVAVK DATA SEQUENCE KLSRPFQSII HAKRTYRELR LLKHMKHENV IGLLDVFTPA RSLEEFNDVY DATA SEQUENCE LVTHLMGADL NNIVKCQKLT DDHVQFLIYQ ILRGLKYIHS ADIIHRDLKP DATA SEQUENCE SNLAVNEDCE LKILDFGLAR HTDDEMTGYV ATRWYRAPEI MLNWMHYNQT DATA SEQUENCE VDIWSVGCIM AELLTGRTLF PGTDHIDQLK LILRLVGTPG AELLKKISSE DATA SEQUENCE SARNYIQSLT QMPKMNFANV FIGANPLAVD LLEKMLVLDS DKRITAAQAL DATA SEQUENCE AHAYFAQYHD PDDEPVADPY DQSFESRDLL IDEWKSLTYD EVISFVPP 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.628 176.600 0.047 0.000 1.382 4 E CA 0.000 56.419 56.400 0.032 0.000 0.976 4 E CB 0.000 29.710 29.700 0.016 0.000 0.812 5 R N 0.458 121.008 120.500 0.082 0.000 2.490 5 R HA 0.608 4.947 4.340 -0.001 0.000 0.280 5 R C -2.026 174.342 176.300 0.114 0.000 1.077 5 R CA -1.480 54.698 56.100 0.131 0.000 1.065 5 R CB -0.174 30.248 30.300 0.203 0.000 1.003 5 R HN -0.167 nan 8.270 nan 0.000 0.470 6 P HA -0.036 nan 4.420 nan 0.000 0.270 6 P C -0.505 176.786 177.300 -0.014 0.000 1.221 6 P CA -0.108 62.933 63.100 -0.098 0.000 0.788 6 P CB 0.445 31.951 31.700 -0.324 0.000 0.904 7 T N -0.916 113.614 114.554 -0.040 0.000 2.856 7 T HA 0.520 4.869 4.350 -0.001 0.000 0.292 7 T C -0.250 174.478 174.700 0.046 0.000 0.980 7 T CA -0.373 61.787 62.100 0.100 0.000 1.091 7 T CB -0.085 68.819 68.868 0.060 0.000 0.936 7 T HN 0.022 nan 8.240 nan 0.000 0.503 8 F N 1.590 121.576 119.950 0.061 0.000 2.461 8 F HA 0.703 5.230 4.527 -0.001 0.000 0.337 8 F C -0.216 175.721 175.800 0.227 0.000 1.079 8 F CA -0.978 57.084 58.000 0.103 0.000 1.032 8 F CB 1.281 40.301 39.000 0.035 0.000 1.327 8 F HN 0.820 nan 8.300 nan 0.000 0.491 9 Y N -1.473 118.957 120.300 0.216 0.000 2.480 9 Y HA 0.698 5.247 4.550 -0.001 0.000 0.329 9 Y C -1.183 174.819 175.900 0.171 0.000 1.127 9 Y CA -1.985 56.203 58.100 0.145 0.000 1.037 9 Y CB 0.825 39.334 38.460 0.081 0.000 1.320 9 Y HN 0.543 nan 8.280 nan 0.000 0.446 10 R N 2.634 123.213 120.500 0.131 0.000 2.608 10 R HA 0.742 5.081 4.340 -0.001 0.000 0.255 10 R C -1.153 175.196 176.300 0.082 0.000 1.086 10 R CA -0.974 55.168 56.100 0.070 0.000 1.125 10 R CB 1.344 31.710 30.300 0.110 0.000 1.193 10 R HN 0.914 nan 8.270 nan 0.000 0.553 11 Q N -0.517 119.346 119.800 0.105 0.000 2.844 11 Q HA 0.101 4.440 4.340 -0.001 0.000 0.230 11 Q C -1.814 174.263 176.000 0.129 0.000 1.005 11 Q CA -0.615 55.252 55.803 0.108 0.000 1.020 11 Q CB 0.671 29.463 28.738 0.089 0.000 1.920 11 Q HN 0.582 nan 8.270 nan 0.000 0.488 12 E N 2.557 122.817 120.200 0.100 0.000 2.414 12 E HA 0.500 4.849 4.350 -0.001 0.000 0.263 12 E C -0.622 176.000 176.600 0.038 0.000 1.000 12 E CA 0.312 56.772 56.400 0.100 0.000 0.914 12 E CB 0.793 30.534 29.700 0.067 0.000 0.948 12 E HN 0.433 nan 8.360 nan 0.000 0.444 13 L N 2.355 123.616 121.223 0.063 0.000 2.789 13 L HA 0.165 4.504 4.340 -0.001 0.000 0.258 13 L C -0.832 176.093 176.870 0.091 0.000 0.966 13 L CA -0.961 53.815 54.840 -0.107 0.000 0.916 13 L CB 1.948 43.636 42.059 -0.618 0.000 1.475 13 L HN 0.534 nan 8.230 nan 0.000 0.418 14 N N 2.726 121.450 118.700 0.041 0.000 2.700 14 N HA -0.214 4.525 4.740 -0.001 0.000 0.265 14 N C -0.129 175.482 175.510 0.168 0.000 0.975 14 N CA 1.415 54.547 53.050 0.138 0.000 0.800 14 N CB -0.663 37.989 38.487 0.276 0.000 0.908 14 N HN 0.605 nan 8.380 nan 0.000 0.551 15 K N -2.457 118.004 120.400 0.101 0.000 2.948 15 K HA -0.266 4.053 4.320 -0.001 0.000 0.253 15 K C -0.032 176.626 176.600 0.096 0.000 0.970 15 K CA 1.535 57.868 56.287 0.076 0.000 0.716 15 K CB -1.660 30.860 32.500 0.034 0.000 1.249 15 K HN 0.727 nan 8.250 nan 0.000 0.483 16 T N -2.592 112.071 114.554 0.182 0.000 2.792 16 T HA 0.522 4.872 4.350 -0.001 0.000 0.303 16 T C -0.529 174.328 174.700 0.261 0.000 1.310 16 T CA -1.170 61.021 62.100 0.152 0.000 1.007 16 T CB 1.456 70.352 68.868 0.048 0.000 1.335 16 T HN -0.021 nan 8.240 nan 0.000 0.504 17 I N 1.775 122.444 120.570 0.164 0.000 2.256 17 I HA 0.241 4.410 4.170 -0.001 0.000 0.294 17 I C -0.722 175.555 176.117 0.266 0.000 1.127 17 I CA -1.162 60.262 61.300 0.207 0.000 1.247 17 I CB -0.940 37.130 38.000 0.117 0.000 1.460 17 I HN 0.642 nan 8.210 nan 0.000 0.511 18 W N 4.692 126.051 121.300 0.098 0.000 2.308 18 W HA 0.230 4.889 4.660 -0.001 0.000 0.324 18 W C 0.912 177.470 176.519 0.066 0.000 1.387 18 W CA -0.307 57.140 57.345 0.170 0.000 1.250 18 W CB 0.201 29.741 29.460 0.134 0.000 1.257 18 W HN 0.447 nan 8.180 nan 0.000 0.554 19 E N 3.522 123.880 120.200 0.264 0.000 2.267 19 E HA 0.457 4.807 4.350 -0.001 0.000 0.248 19 E C -1.183 175.498 176.600 0.136 0.000 0.899 19 E CA -0.559 55.925 56.400 0.140 0.000 0.764 19 E CB 0.662 30.451 29.700 0.149 0.000 1.227 19 E HN 0.303 nan 8.360 nan 0.000 0.421 20 V N 1.118 121.029 119.914 -0.005 0.000 3.074 20 V HA 0.772 4.891 4.120 -0.001 0.000 0.314 20 V C -2.722 173.147 176.094 -0.375 0.000 1.117 20 V CA -2.991 59.231 62.300 -0.130 0.000 1.014 20 V CB 1.586 33.379 31.823 -0.050 0.000 1.057 20 V HN 0.479 nan 8.190 nan 0.000 0.438 21 P HA 0.209 nan 4.420 nan 0.000 0.268 21 P C 0.569 177.752 177.300 -0.196 0.000 1.205 21 P CA 0.024 62.607 63.100 -0.862 0.000 0.771 21 P CB 0.371 31.470 31.700 -1.001 0.000 0.858 22 E N 4.087 124.221 120.200 -0.110 0.000 2.219 22 E HA -0.297 4.053 4.350 -0.001 0.000 0.198 22 E C 1.534 178.028 176.600 -0.177 0.000 0.998 22 E CA 0.948 57.292 56.400 -0.092 0.000 0.818 22 E CB -0.549 29.025 29.700 -0.209 0.000 0.741 22 E HN 0.480 nan 8.360 nan 0.000 0.477 23 R N 0.939 121.233 120.500 -0.343 0.000 2.103 23 R HA -0.179 4.160 4.340 -0.001 0.000 0.242 23 R C 0.236 176.268 176.300 -0.445 0.000 1.142 23 R CA 1.145 56.963 56.100 -0.469 0.000 0.960 23 R CB -1.014 28.868 30.300 -0.696 0.000 0.858 23 R HN 0.166 nan 8.270 nan 0.000 0.439 24 Y N 2.128 122.386 120.300 -0.070 0.000 2.393 24 Y HA 0.246 4.795 4.550 -0.001 0.000 0.338 24 Y C 0.477 176.460 175.900 0.138 0.000 1.029 24 Y CA -0.351 57.752 58.100 0.005 0.000 1.239 24 Y CB 0.665 39.138 38.460 0.022 0.000 1.170 24 Y HN 0.052 nan 8.280 nan 0.000 0.515 25 Q N 1.467 121.426 119.800 0.264 0.000 2.433 25 Q HA 0.339 4.678 4.340 -0.001 0.000 0.279 25 Q C -0.275 175.872 176.000 0.245 0.000 1.105 25 Q CA -1.019 54.934 55.803 0.250 0.000 0.815 25 Q CB 1.898 30.745 28.738 0.182 0.000 1.403 25 Q HN 0.710 nan 8.270 nan 0.000 0.435 26 N N -0.071 118.740 118.700 0.184 0.000 2.783 26 N HA -0.172 4.568 4.740 -0.001 0.000 0.247 26 N C -0.918 174.644 175.510 0.087 0.000 1.089 26 N CA 0.411 53.535 53.050 0.122 0.000 0.690 26 N CB -1.598 36.962 38.487 0.121 0.000 0.991 26 N HN 0.495 nan 8.380 nan 0.000 0.552 27 L N -0.056 121.210 121.223 0.072 0.000 2.534 27 L HA 0.137 4.476 4.340 -0.001 0.000 0.271 27 L C 0.767 177.575 176.870 -0.103 0.000 1.178 27 L CA 0.656 55.474 54.840 -0.037 0.000 0.907 27 L CB 0.512 42.502 42.059 -0.115 0.000 1.164 27 L HN 0.200 nan 8.230 nan 0.000 0.482 28 S N 5.208 120.840 115.700 -0.114 0.000 2.538 28 S HA 0.565 5.034 4.470 -0.001 0.000 0.288 28 S C -2.552 171.962 174.600 -0.144 0.000 1.108 28 S CA -1.353 56.780 58.200 -0.112 0.000 0.971 28 S CB 2.009 65.182 63.200 -0.046 0.000 1.041 28 S HN 0.325 nan 8.310 nan 0.000 0.483 29 P HA 0.194 nan 4.420 nan 0.000 0.276 29 P C 0.059 177.334 177.300 -0.041 0.000 1.235 29 P CA -0.282 62.748 63.100 -0.118 0.000 0.772 29 P CB 0.900 32.536 31.700 -0.106 0.000 0.871 30 V N 0.072 119.984 119.914 -0.004 0.000 2.967 30 V HA 0.729 4.848 4.120 -0.001 0.000 0.364 30 V C 0.239 176.365 176.094 0.054 0.000 1.373 30 V CA 0.081 62.395 62.300 0.023 0.000 1.193 30 V CB 0.141 31.982 31.823 0.029 0.000 1.236 30 V HN 0.826 nan 8.190 nan 0.000 0.582 31 G N -1.059 107.779 108.800 0.063 0.000 2.313 31 G HA2 0.573 4.532 3.960 -0.001 0.000 0.296 31 G HA3 0.573 4.532 3.960 -0.001 0.000 0.296 31 G C -1.104 173.848 174.900 0.087 0.000 1.356 31 G CA 0.207 45.365 45.100 0.097 0.000 0.833 31 G HN 0.687 nan 8.290 nan 0.000 0.552 32 S N -1.951 113.798 115.700 0.081 0.000 2.680 32 S HA 0.801 5.271 4.470 -0.001 0.000 0.284 32 S C 0.116 174.639 174.600 -0.129 0.000 1.055 32 S CA 0.376 58.531 58.200 -0.075 0.000 0.849 32 S CB 1.153 64.321 63.200 -0.053 0.000 1.068 32 S HN 2.367 nan 8.310 nan 0.000 0.453 33 G N 0.494 109.037 108.800 -0.428 0.000 2.529 33 G HA2 0.671 4.631 3.960 -0.001 0.000 0.238 33 G HA3 0.671 4.631 3.960 -0.001 0.000 0.238 33 G C 0.427 175.094 174.900 -0.388 0.000 1.207 33 G CA 0.339 45.267 45.100 -0.287 0.000 0.928 33 G HN 1.100 nan 8.290 nan 0.000 0.495 34 A N -1.012 121.673 122.820 -0.226 0.000 1.911 34 A HA 0.285 4.604 4.320 -0.001 0.000 0.212 34 A C 2.139 179.599 177.584 -0.207 0.000 1.189 34 A CA 2.017 53.956 52.037 -0.163 0.000 0.639 34 A CB -1.000 17.971 19.000 -0.050 0.000 0.839 34 A HN 1.257 nan 8.150 nan 0.000 0.449 35 Y N -0.975 119.281 120.300 -0.074 0.000 2.193 35 Y HA 0.240 4.789 4.550 -0.001 0.000 0.285 35 Y C 1.078 176.914 175.900 -0.108 0.000 1.166 35 Y CA 0.434 58.480 58.100 -0.089 0.000 1.181 35 Y CB -0.877 37.532 38.460 -0.085 0.000 0.976 35 Y HN 0.559 nan 8.280 nan 0.000 0.520 36 G N -0.768 107.507 108.800 -0.875 0.000 2.350 36 G HA2 0.345 4.304 3.960 -0.001 0.000 0.276 36 G HA3 0.345 4.304 3.960 -0.001 0.000 0.276 36 G C -1.580 172.961 174.900 -0.597 0.000 1.313 36 G CA -0.603 44.186 45.100 -0.518 0.000 0.903 36 G HN 0.685 nan 8.290 nan 0.000 0.490 37 S N -0.913 114.701 115.700 -0.143 0.000 2.500 37 S HA 0.775 5.244 4.470 -0.001 0.000 0.301 37 S C -0.509 174.313 174.600 0.371 0.000 1.092 37 S CA -0.755 57.510 58.200 0.109 0.000 1.030 37 S CB 2.021 65.365 63.200 0.240 0.000 1.031 37 S HN 1.110 nan 8.310 nan 0.000 0.483 38 V N 1.497 121.614 119.914 0.337 0.000 2.612 38 V HA 0.544 4.663 4.120 -0.001 0.000 0.301 38 V C -0.153 176.066 176.094 0.208 0.000 1.046 38 V CA -0.506 61.990 62.300 0.328 0.000 0.946 38 V CB 1.341 33.300 31.823 0.227 0.000 1.003 38 V HN 1.138 nan 8.190 nan 0.000 0.459 39 C N 3.041 122.433 119.300 0.152 0.000 2.626 39 C HA 0.845 5.304 4.460 -0.001 0.000 0.310 39 C C 0.453 175.446 174.990 0.006 0.000 1.191 39 C CA -0.773 58.195 59.018 -0.083 0.000 1.517 39 C CB 1.335 28.801 27.740 -0.457 0.000 2.102 39 C HN 1.024 nan 8.230 nan 0.000 0.479 40 A N 2.049 124.866 122.820 -0.005 0.000 2.303 40 A HA 0.964 5.283 4.320 -0.001 0.000 0.317 40 A C -0.148 177.465 177.584 0.050 0.000 1.149 40 A CA 0.187 52.247 52.037 0.039 0.000 0.822 40 A CB 0.796 19.823 19.000 0.044 0.000 1.131 40 A HN 1.666 nan 8.150 nan 0.000 0.493 41 A N 0.333 123.214 122.820 0.102 0.000 2.557 41 A HA 0.703 5.022 4.320 -0.001 0.000 0.292 41 A C -1.676 176.066 177.584 0.264 0.000 1.139 41 A CA -0.440 51.695 52.037 0.162 0.000 0.665 41 A CB 0.666 19.758 19.000 0.154 0.000 1.285 41 A HN 1.525 nan 8.150 nan 0.000 0.433 42 F N 1.344 121.373 119.950 0.133 0.000 2.426 42 F HA 0.560 5.087 4.527 -0.001 0.000 0.348 42 F C -0.453 175.441 175.800 0.157 0.000 1.124 42 F CA -1.150 56.920 58.000 0.117 0.000 1.008 42 F CB 1.414 40.453 39.000 0.066 0.000 1.139 42 F HN 0.526 nan 8.300 nan 0.000 0.452 43 D N 3.966 124.050 120.400 -0.527 0.000 2.441 43 D HA 0.103 4.742 4.640 -0.001 0.000 0.221 43 D C 1.289 177.054 176.300 -0.891 0.000 1.156 43 D CA 0.168 53.886 54.000 -0.470 0.000 0.896 43 D CB 0.974 41.703 40.800 -0.117 0.000 1.028 43 D HN 0.665 nan 8.370 nan 0.000 0.509 44 T N 1.422 115.515 114.554 -0.767 0.000 2.833 44 T HA -0.244 4.106 4.350 -0.001 0.000 0.269 44 T C 1.767 176.270 174.700 -0.328 0.000 1.054 44 T CA 1.217 62.997 62.100 -0.534 0.000 1.135 44 T CB -0.084 68.647 68.868 -0.228 0.000 0.869 44 T HN 0.297 nan 8.240 nan 0.000 0.466 45 K N 1.738 121.942 120.400 -0.325 0.000 2.057 45 K HA -0.092 4.228 4.320 -0.001 0.000 0.207 45 K C 2.329 178.833 176.600 -0.161 0.000 1.049 45 K CA 2.012 58.167 56.287 -0.220 0.000 0.931 45 K CB -0.538 31.820 32.500 -0.237 0.000 0.714 45 K HN 0.612 nan 8.250 nan 0.000 0.440 46 T N -4.498 109.947 114.554 -0.182 0.000 3.022 46 T HA 0.262 4.611 4.350 -0.001 0.000 0.250 46 T C 1.332 175.987 174.700 -0.074 0.000 1.060 46 T CA 0.348 62.387 62.100 -0.101 0.000 1.013 46 T CB 0.415 69.241 68.868 -0.070 0.000 0.982 46 T HN 0.367 nan 8.240 nan 0.000 0.508 47 G N 1.325 110.029 108.800 -0.159 0.000 2.184 47 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.264 47 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.264 47 G C -0.107 174.876 174.900 0.137 0.000 0.975 47 G CA 0.358 45.470 45.100 0.020 0.000 0.642 47 G HN 0.635 nan 8.290 nan 0.000 0.536 48 L N 0.907 122.126 121.223 -0.006 0.000 2.334 48 L HA 0.614 4.953 4.340 -0.001 0.000 0.277 48 L C 0.905 177.858 176.870 0.138 0.000 1.075 48 L CA -1.265 53.632 54.840 0.096 0.000 0.804 48 L CB 0.848 42.932 42.059 0.043 0.000 1.174 48 L HN -0.015 nan 8.230 nan 0.000 0.438 49 R N 2.101 122.737 120.500 0.226 0.000 2.490 49 R HA 0.539 4.878 4.340 -0.001 0.000 0.280 49 R C -0.561 175.828 176.300 0.149 0.000 1.077 49 R CA -0.377 55.866 56.100 0.238 0.000 1.065 49 R CB 1.051 31.471 30.300 0.200 0.000 1.003 49 R HN 0.493 nan 8.270 nan 0.000 0.470 50 V N -2.239 117.754 119.914 0.131 0.000 3.159 50 V HA 0.906 5.025 4.120 -0.001 0.000 0.308 50 V C -0.720 175.414 176.094 0.068 0.000 1.190 50 V CA -1.345 61.002 62.300 0.078 0.000 1.037 50 V CB 2.208 34.054 31.823 0.040 0.000 1.060 50 V HN 0.795 nan 8.190 nan 0.000 0.437 51 A N 1.744 124.597 122.820 0.055 0.000 2.317 51 A HA 0.897 5.216 4.320 -0.001 0.000 0.327 51 A C -0.696 176.921 177.584 0.055 0.000 1.178 51 A CA -0.700 51.375 52.037 0.063 0.000 0.817 51 A CB 1.530 20.572 19.000 0.069 0.000 1.189 51 A HN 1.488 nan 8.150 nan 0.000 0.489 52 V N 2.638 122.619 119.914 0.112 0.000 2.444 52 V HA 0.418 4.537 4.120 -0.001 0.000 0.294 52 V C -0.063 176.205 176.094 0.291 0.000 1.022 52 V CA -0.617 61.786 62.300 0.172 0.000 0.850 52 V CB 1.534 33.519 31.823 0.271 0.000 0.992 52 V HN 0.923 nan 8.190 nan 0.000 0.426 53 K N 4.322 124.808 120.400 0.142 0.000 2.235 53 K HA 0.495 4.814 4.320 -0.001 0.000 0.266 53 K C -0.480 176.032 176.600 -0.147 0.000 0.980 53 K CA -0.660 55.686 56.287 0.097 0.000 0.849 53 K CB 1.182 33.722 32.500 0.067 0.000 1.098 53 K HN 0.650 nan 8.250 nan 0.000 0.445 54 K N 6.450 126.631 120.400 -0.364 0.000 2.240 54 K HA 0.254 4.573 4.320 -0.001 0.000 0.271 54 K C -0.725 175.546 176.600 -0.547 0.000 1.018 54 K CA -0.578 55.203 56.287 -0.843 0.000 0.874 54 K CB 0.688 32.286 32.500 -1.503 0.000 1.098 54 K HN 0.613 nan 8.250 nan 0.000 0.458 55 L N 2.780 123.697 121.223 -0.510 0.000 2.416 55 L HA 0.108 4.447 4.340 -0.001 0.000 0.272 55 L C 0.579 177.217 176.870 -0.387 0.000 1.161 55 L CA -0.203 54.425 54.840 -0.354 0.000 0.845 55 L CB 1.335 43.198 42.059 -0.327 0.000 1.119 55 L HN 0.633 nan 8.230 nan 0.000 0.464 56 S N 4.202 119.725 115.700 -0.295 0.000 2.508 56 S HA 0.328 4.798 4.470 -0.001 0.000 0.284 56 S C 0.134 174.573 174.600 -0.267 0.000 1.192 56 S CA -0.666 57.367 58.200 -0.278 0.000 1.070 56 S CB 0.431 63.488 63.200 -0.237 0.000 1.004 56 S HN 0.649 nan 8.310 nan 0.000 0.493 57 R N 2.271 122.600 120.500 -0.285 0.000 3.127 57 R HA -0.110 4.229 4.340 -0.001 0.000 0.247 57 R C -2.436 173.653 176.300 -0.353 0.000 0.896 57 R CA 0.545 56.457 56.100 -0.312 0.000 0.624 57 R CB -2.617 27.466 30.300 -0.360 0.000 1.154 57 R HN 0.574 nan 8.270 nan 0.000 0.474 58 P HA -0.064 nan 4.420 nan 0.000 0.217 58 P C 0.445 177.184 177.300 -0.935 0.000 1.151 58 P CA 1.148 63.750 63.100 -0.830 0.000 0.828 58 P CB 0.150 31.101 31.700 -1.248 0.000 0.788 59 F N -1.205 118.683 119.950 -0.102 0.000 2.749 59 F HA 0.274 4.801 4.527 -0.001 0.000 0.380 59 F C 1.645 177.410 175.800 -0.058 0.000 1.365 59 F CA -0.772 57.202 58.000 -0.045 0.000 1.186 59 F CB -0.751 38.207 39.000 -0.070 0.000 1.080 59 F HN -0.117 nan 8.300 nan 0.000 0.513 60 Q N 0.322 120.102 119.800 -0.032 0.000 2.187 60 Q HA 0.058 4.397 4.340 -0.001 0.000 0.199 60 Q C 0.769 176.763 176.000 -0.011 0.000 0.957 60 Q CA 1.233 56.978 55.803 -0.096 0.000 0.857 60 Q CB 0.287 28.845 28.738 -0.299 0.000 0.929 60 Q HN 0.319 nan 8.270 nan 0.000 0.453 61 S N -1.785 113.969 115.700 0.089 0.000 2.732 61 S HA 0.417 4.886 4.470 -0.001 0.000 0.293 61 S C 0.665 175.379 174.600 0.189 0.000 1.159 61 S CA -0.908 57.385 58.200 0.156 0.000 0.847 61 S CB 0.556 63.901 63.200 0.241 0.000 1.169 61 S HN 0.211 nan 8.310 nan 0.000 0.501 62 I N 0.656 121.321 120.570 0.159 0.000 2.286 62 I HA -0.067 4.102 4.170 -0.001 0.000 0.245 62 I C 1.965 178.118 176.117 0.061 0.000 1.104 62 I CA 1.103 62.509 61.300 0.177 0.000 1.397 62 I CB -0.366 37.749 38.000 0.191 0.000 1.072 62 I HN 0.606 nan 8.210 nan 0.000 0.417 63 I N -0.090 120.495 120.570 0.024 0.000 2.361 63 I HA -0.299 3.870 4.170 -0.001 0.000 0.251 63 I C 2.567 178.586 176.117 -0.164 0.000 1.133 63 I CA 1.180 62.422 61.300 -0.096 0.000 1.413 63 I CB -0.589 37.345 38.000 -0.110 0.000 1.073 63 I HN 0.310 nan 8.210 nan 0.000 0.424 64 H N 0.600 119.642 119.070 -0.046 0.000 2.333 64 H HA 0.002 4.558 4.556 -0.001 0.000 0.302 64 H C 2.407 177.709 175.328 -0.043 0.000 1.075 64 H CA 1.588 57.600 56.048 -0.060 0.000 1.348 64 H CB -0.069 29.658 29.762 -0.057 0.000 1.393 64 H HN 0.324 nan 8.280 nan 0.000 0.509 65 A N 1.289 124.222 122.820 0.188 0.000 1.908 65 A HA -0.206 4.114 4.320 -0.001 0.000 0.218 65 A C 2.378 180.030 177.584 0.113 0.000 1.181 65 A CA 1.893 54.130 52.037 0.333 0.000 0.627 65 A CB -0.412 18.862 19.000 0.458 0.000 0.818 65 A HN 0.326 nan 8.150 nan 0.000 0.445 66 K N -0.716 119.503 120.400 -0.301 0.000 2.103 66 K HA -0.108 4.212 4.320 -0.001 0.000 0.204 66 K C 2.355 178.831 176.600 -0.208 0.000 1.052 66 K CA 0.961 56.822 56.287 -0.709 0.000 0.945 66 K CB -0.179 31.640 32.500 -1.136 0.000 0.722 66 K HN 0.409 nan 8.250 nan 0.000 0.443 67 R N 0.267 120.686 120.500 -0.135 0.000 2.070 67 R HA -0.116 4.224 4.340 -0.001 0.000 0.233 67 R C 1.825 178.122 176.300 -0.005 0.000 1.137 67 R CA 2.161 58.219 56.100 -0.070 0.000 0.945 67 R CB -0.598 29.628 30.300 -0.123 0.000 0.845 67 R HN 0.203 nan 8.270 nan 0.000 0.430 68 T N 0.321 114.878 114.554 0.005 0.000 2.737 68 T HA -0.220 4.130 4.350 -0.001 0.000 0.269 68 T C 1.423 176.198 174.700 0.124 0.000 1.040 68 T CA 1.716 63.825 62.100 0.015 0.000 1.142 68 T CB -0.472 68.337 68.868 -0.098 0.000 0.861 68 T HN 0.406 nan 8.240 nan 0.000 0.456 69 Y N 1.819 122.173 120.300 0.089 0.000 2.263 69 Y HA 0.010 4.560 4.550 -0.001 0.000 0.292 69 Y C 2.635 178.524 175.900 -0.019 0.000 1.130 69 Y CA 1.125 59.279 58.100 0.090 0.000 1.179 69 Y CB -0.230 38.326 38.460 0.160 0.000 0.998 69 Y HN -0.034 nan 8.280 nan 0.000 0.532 70 R N 0.438 120.931 120.500 -0.011 0.000 2.081 70 R HA -0.203 4.136 4.340 -0.001 0.000 0.235 70 R C 2.343 178.630 176.300 -0.023 0.000 1.131 70 R CA 1.913 58.037 56.100 0.041 0.000 0.960 70 R CB -0.354 30.083 30.300 0.228 0.000 0.856 70 R HN 0.543 nan 8.270 nan 0.000 0.436 71 E N 0.121 120.311 120.200 -0.016 0.000 2.047 71 E HA -0.203 4.146 4.350 -0.001 0.000 0.191 71 E C 1.994 178.568 176.600 -0.043 0.000 0.987 71 E CA 1.010 57.403 56.400 -0.013 0.000 0.799 71 E CB -0.071 29.621 29.700 -0.013 0.000 0.752 71 E HN 0.244 nan 8.360 nan 0.000 0.449 72 L N 1.420 122.605 121.223 -0.063 0.000 2.079 72 L HA -0.180 4.159 4.340 -0.001 0.000 0.210 72 L C 2.288 179.100 176.870 -0.096 0.000 1.081 72 L CA 1.634 56.439 54.840 -0.059 0.000 0.752 72 L CB -0.349 41.701 42.059 -0.015 0.000 0.896 72 L HN 0.048 nan 8.230 nan 0.000 0.433 73 R N -0.598 119.763 120.500 -0.231 0.000 2.075 73 R HA -0.061 4.278 4.340 -0.001 0.000 0.232 73 R C 2.288 178.579 176.300 -0.015 0.000 1.126 73 R CA 1.571 57.552 56.100 -0.197 0.000 0.963 73 R CB -0.928 29.094 30.300 -0.464 0.000 0.858 73 R HN 0.413 nan 8.270 nan 0.000 0.435 74 L N 0.517 121.698 121.223 -0.069 0.000 2.027 74 L HA -0.137 4.203 4.340 -0.001 0.000 0.206 74 L C 2.529 179.301 176.870 -0.163 0.000 1.074 74 L CA 1.033 55.744 54.840 -0.215 0.000 0.745 74 L CB -0.473 41.444 42.059 -0.236 0.000 0.898 74 L HN 0.112 nan 8.230 nan 0.000 0.433 75 L N -0.327 120.860 121.223 -0.061 0.000 2.046 75 L HA -0.237 4.102 4.340 -0.001 0.000 0.208 75 L C 2.605 179.511 176.870 0.060 0.000 1.077 75 L CA 1.452 56.295 54.840 0.004 0.000 0.747 75 L CB -0.450 41.622 42.059 0.022 0.000 0.896 75 L HN 0.250 nan 8.230 nan 0.000 0.432 76 K N -1.213 119.238 120.400 0.086 0.000 2.148 76 K HA -0.204 4.116 4.320 -0.001 0.000 0.204 76 K C 2.029 178.707 176.600 0.131 0.000 1.050 76 K CA 1.122 57.505 56.287 0.159 0.000 0.942 76 K CB -0.188 32.414 32.500 0.171 0.000 0.724 76 K HN 0.279 nan 8.250 nan 0.000 0.446 77 H N 0.269 119.344 119.070 0.007 0.000 2.389 77 H HA 0.041 4.596 4.556 -0.001 0.000 0.299 77 H C 0.182 175.526 175.328 0.027 0.000 1.081 77 H CA 0.743 56.789 56.048 -0.002 0.000 1.345 77 H CB 0.203 29.892 29.762 -0.122 0.000 1.393 77 H HN -0.089 nan 8.280 nan 0.000 0.520 78 M N 2.018 121.653 119.600 0.059 0.000 2.474 78 M HA 0.014 4.494 4.480 -0.001 0.000 0.352 78 M C -0.432 175.915 176.300 0.078 0.000 1.690 78 M CA 0.678 56.039 55.300 0.102 0.000 1.112 78 M CB 0.020 32.642 32.600 0.037 0.000 2.062 78 M HN 0.137 nan 8.290 nan 0.000 0.461 79 K N 3.533 123.984 120.400 0.084 0.000 3.029 79 K HA 0.304 4.623 4.320 -0.001 0.000 0.169 79 K C -0.803 175.683 176.600 -0.190 0.000 1.090 79 K CA -0.230 56.047 56.287 -0.016 0.000 0.883 79 K CB 1.150 33.653 32.500 0.006 0.000 1.080 79 K HN 0.636 nan 8.250 nan 0.000 0.613 80 H N 0.525 119.371 119.070 -0.372 0.000 3.038 80 H HA 0.159 4.714 4.556 -0.001 0.000 0.362 80 H C 0.137 175.304 175.328 -0.268 0.000 1.167 80 H CA -0.207 55.536 56.048 -0.509 0.000 1.197 80 H CB 1.623 30.730 29.762 -1.092 0.000 1.840 80 H HN 0.230 nan 8.280 nan 0.000 0.540 81 E N 2.103 122.087 120.200 -0.360 0.000 2.219 81 E HA -0.183 4.166 4.350 -0.001 0.000 0.198 81 E C 0.433 177.019 176.600 -0.023 0.000 0.998 81 E CA 1.687 57.977 56.400 -0.184 0.000 0.818 81 E CB 0.129 29.678 29.700 -0.252 0.000 0.741 81 E HN 0.525 nan 8.360 nan 0.000 0.477 82 N N -0.428 118.394 118.700 0.202 0.000 2.230 82 N HA 0.089 4.828 4.740 -0.001 0.000 0.202 82 N C -1.142 174.394 175.510 0.043 0.000 1.119 82 N CA -0.144 52.950 53.050 0.074 0.000 0.851 82 N CB 1.220 39.726 38.487 0.031 0.000 0.990 82 N HN -0.140 nan 8.380 nan 0.000 0.497 83 V N 1.115 121.080 119.914 0.085 0.000 2.680 83 V HA 0.297 4.416 4.120 -0.001 0.000 0.309 83 V C 0.020 176.189 176.094 0.126 0.000 1.052 83 V CA -1.230 61.145 62.300 0.125 0.000 0.908 83 V CB 2.111 34.020 31.823 0.143 0.000 1.001 83 V HN 0.023 nan 8.190 nan 0.000 0.431 84 I N 3.590 124.265 120.570 0.175 0.000 2.906 84 I HA 0.329 4.498 4.170 -0.001 0.000 0.302 84 I C 0.867 177.070 176.117 0.143 0.000 1.220 84 I CA 1.012 62.400 61.300 0.147 0.000 1.441 84 I CB 0.274 38.372 38.000 0.164 0.000 1.336 84 I HN 0.767 nan 8.210 nan 0.000 0.565 85 G N 6.903 115.788 108.800 0.142 0.000 2.417 85 G HA2 0.535 4.494 3.960 -0.001 0.000 0.334 85 G HA3 0.535 4.494 3.960 -0.001 0.000 0.334 85 G C -1.432 173.563 174.900 0.158 0.000 1.150 85 G CA -0.763 44.429 45.100 0.152 0.000 0.923 85 G HN 0.634 nan 8.290 nan 0.000 0.485 86 L N 2.124 123.445 121.223 0.163 0.000 2.262 86 L HA 0.420 4.760 4.340 -0.001 0.000 0.288 86 L C 0.885 177.896 176.870 0.234 0.000 1.035 86 L CA -0.384 54.548 54.840 0.153 0.000 0.820 86 L CB 1.012 43.169 42.059 0.163 0.000 1.204 86 L HN 0.550 nan 8.230 nan 0.000 0.424 87 L N 2.702 124.009 121.223 0.140 0.000 2.270 87 L HA 0.218 4.557 4.340 -0.001 0.000 0.210 87 L C -0.163 176.872 176.870 0.275 0.000 1.104 87 L CA 0.537 55.475 54.840 0.165 0.000 0.804 87 L CB 0.141 42.197 42.059 -0.006 0.000 0.937 87 L HN 0.724 nan 8.230 nan 0.000 0.450 88 D N -2.051 118.370 120.400 0.035 0.000 2.720 88 D HA 0.269 4.908 4.640 -0.001 0.000 0.239 88 D C -1.700 174.351 176.300 -0.415 0.000 1.218 88 D CA -0.241 53.660 54.000 -0.166 0.000 0.748 88 D CB 1.941 42.876 40.800 0.224 0.000 1.387 88 D HN -0.269 nan 8.370 nan 0.000 0.438 89 V N 3.612 123.171 119.914 -0.592 0.000 2.668 89 V HA 0.911 5.031 4.120 -0.001 0.000 0.304 89 V C -1.633 174.455 176.094 -0.010 0.000 1.071 89 V CA -0.432 61.657 62.300 -0.352 0.000 0.894 89 V CB 1.016 32.559 31.823 -0.466 0.000 1.008 89 V HN 0.580 nan 8.190 nan 0.000 0.425 90 F N 2.842 122.838 119.950 0.078 0.000 2.662 90 F HA 0.921 5.447 4.527 -0.001 0.000 0.312 90 F C -0.789 175.218 175.800 0.345 0.000 1.113 90 F CA -0.621 57.498 58.000 0.199 0.000 0.951 90 F CB 1.822 40.948 39.000 0.211 0.000 1.344 90 F HN 0.549 nan 8.300 nan 0.000 0.462 91 T N 1.067 116.004 114.554 0.637 0.000 2.933 91 T HA 0.490 4.840 4.350 -0.001 0.000 0.305 91 T C -2.486 172.432 174.700 0.363 0.000 1.092 91 T CA -1.693 60.742 62.100 0.559 0.000 1.008 91 T CB 1.933 71.153 68.868 0.585 0.000 1.102 91 T HN 0.464 nan 8.240 nan 0.000 0.469 92 P HA 0.135 nan 4.420 nan 0.000 0.218 92 P C 0.344 177.483 177.300 -0.269 0.000 1.149 92 P CA 0.511 63.327 63.100 -0.474 0.000 0.817 92 P CB -0.077 31.496 31.700 -0.211 0.000 0.785 93 A N 0.325 123.171 122.820 0.043 0.000 2.536 93 A HA -0.036 4.283 4.320 -0.001 0.000 0.234 93 A C 1.028 178.671 177.584 0.099 0.000 1.076 93 A CA 0.643 52.741 52.037 0.102 0.000 0.769 93 A CB -0.034 19.119 19.000 0.254 0.000 1.020 93 A HN 0.181 nan 8.150 nan 0.000 0.508 94 R N -0.051 120.499 120.500 0.084 0.000 2.509 94 R HA 0.256 4.596 4.340 -0.001 0.000 0.297 94 R C -0.188 176.187 176.300 0.124 0.000 0.951 94 R CA 0.728 56.887 56.100 0.099 0.000 1.103 94 R CB 0.374 30.705 30.300 0.052 0.000 1.283 94 R HN 0.843 nan 8.270 nan 0.000 0.534 95 S N -0.908 114.844 115.700 0.086 0.000 2.565 95 S HA 0.123 4.592 4.470 -0.001 0.000 0.274 95 S C 0.182 174.609 174.600 -0.287 0.000 1.144 95 S CA -0.893 57.310 58.200 0.005 0.000 0.849 95 S CB 1.343 64.540 63.200 -0.005 0.000 1.103 95 S HN 0.019 nan 8.310 nan 0.000 0.455 96 L N 1.916 122.800 121.223 -0.565 0.000 2.051 96 L HA -0.046 4.293 4.340 -0.001 0.000 0.214 96 L C 2.256 178.956 176.870 -0.283 0.000 1.076 96 L CA 2.442 56.821 54.840 -0.769 0.000 0.758 96 L CB -1.083 40.687 42.059 -0.482 0.000 0.890 96 L HN 0.913 nan 8.230 nan 0.000 0.433 97 E N 0.137 120.241 120.200 -0.160 0.000 2.097 97 E HA -0.255 4.094 4.350 -0.001 0.000 0.196 97 E C 2.059 178.629 176.600 -0.051 0.000 1.000 97 E CA 2.026 58.377 56.400 -0.082 0.000 0.804 97 E CB -0.266 29.402 29.700 -0.054 0.000 0.740 97 E HN 0.725 nan 8.360 nan 0.000 0.454 98 E N -0.429 119.751 120.200 -0.034 0.000 2.318 98 E HA 0.005 4.354 4.350 -0.001 0.000 0.193 98 E C 0.091 176.724 176.600 0.054 0.000 0.998 98 E CA -0.315 56.087 56.400 0.004 0.000 0.859 98 E CB -0.130 29.578 29.700 0.013 0.000 0.812 98 E HN 0.125 nan 8.360 nan 0.000 0.492 99 F N 2.339 122.199 119.950 -0.150 0.000 2.580 99 F HA -0.078 4.448 4.527 -0.002 0.000 0.398 99 F C 0.933 176.735 175.800 0.003 0.000 1.023 99 F CA 0.312 58.251 58.000 -0.103 0.000 1.188 99 F CB 0.342 39.151 39.000 -0.317 0.000 1.005 99 F HN -0.097 nan 8.300 nan 0.000 0.546 100 N N 2.334 120.853 118.700 -0.302 0.000 1.863 100 N HA -0.029 4.711 4.740 -0.001 0.000 0.241 100 N C -1.217 174.132 175.510 -0.268 0.000 1.395 100 N CA 0.050 52.928 53.050 -0.286 0.000 0.765 100 N CB 0.469 38.885 38.487 -0.117 0.000 1.120 100 N HN 0.577 nan 8.380 nan 0.000 0.510 101 D N 0.535 120.836 120.400 -0.165 0.000 2.269 101 D HA 0.497 5.136 4.640 -0.001 0.000 0.244 101 D C -0.609 175.652 176.300 -0.066 0.000 0.992 101 D CA -0.357 53.534 54.000 -0.181 0.000 0.894 101 D CB 3.160 43.922 40.800 -0.065 0.000 1.248 101 D HN -0.242 nan 8.370 nan 0.000 0.468 102 V N 1.908 121.650 119.914 -0.287 0.000 2.668 102 V HA 0.289 4.408 4.120 -0.001 0.000 0.304 102 V C -1.426 174.385 176.094 -0.472 0.000 1.071 102 V CA -0.783 61.432 62.300 -0.141 0.000 0.894 102 V CB 1.527 33.313 31.823 -0.061 0.000 1.008 102 V HN 0.437 nan 8.190 nan 0.000 0.425 103 Y N 4.485 124.510 120.300 -0.458 0.000 2.429 103 Y HA 0.810 5.359 4.550 -0.001 0.000 0.342 103 Y C -0.231 175.336 175.900 -0.555 0.000 1.004 103 Y CA -0.941 56.758 58.100 -0.668 0.000 1.075 103 Y CB 1.992 39.649 38.460 -1.338 0.000 1.214 103 Y HN 0.436 nan 8.280 nan 0.000 0.455 104 L N 3.483 124.575 121.223 -0.218 0.000 2.381 104 L HA 0.723 5.062 4.340 -0.001 0.000 0.274 104 L C -1.169 175.642 176.870 -0.098 0.000 0.988 104 L CA -0.902 53.841 54.840 -0.163 0.000 0.824 104 L CB 1.900 43.890 42.059 -0.114 0.000 1.263 104 L HN 0.308 nan 8.230 nan 0.000 0.410 105 V N 1.406 121.264 119.914 -0.094 0.000 2.513 105 V HA 0.743 4.863 4.120 -0.001 0.000 0.299 105 V C -0.029 176.051 176.094 -0.023 0.000 1.035 105 V CA -0.342 61.921 62.300 -0.063 0.000 0.889 105 V CB 1.890 33.658 31.823 -0.092 0.000 0.988 105 V HN 0.834 nan 8.190 nan 0.000 0.440 106 T N 1.819 116.372 114.554 -0.001 0.000 2.841 106 T HA 0.536 4.886 4.350 -0.001 0.000 0.296 106 T C -0.444 174.280 174.700 0.040 0.000 1.166 106 T CA -0.516 61.607 62.100 0.038 0.000 1.007 106 T CB 1.055 69.974 68.868 0.086 0.000 1.253 106 T HN 0.780 nan 8.240 nan 0.000 0.511 107 H N 0.438 119.543 119.070 0.058 0.000 2.935 107 H HA 0.350 4.905 4.556 -0.001 0.000 0.376 107 H C -0.025 175.335 175.328 0.054 0.000 1.307 107 H CA 0.197 56.280 56.048 0.060 0.000 1.442 107 H CB 0.182 29.975 29.762 0.051 0.000 1.427 107 H HN 0.275 nan 8.280 nan 0.000 0.615 108 L N 1.846 123.185 121.223 0.193 0.000 2.282 108 L HA 0.286 4.625 4.340 -0.001 0.000 0.288 108 L C -1.045 175.887 176.870 0.103 0.000 1.033 108 L CA -0.385 54.529 54.840 0.124 0.000 0.807 108 L CB 0.633 42.758 42.059 0.110 0.000 1.209 108 L HN 0.490 nan 8.230 nan 0.000 0.423 109 M N 3.128 122.771 119.600 0.071 0.000 2.537 109 M HA 0.420 4.900 4.480 -0.001 0.000 0.324 109 M C 1.108 177.429 176.300 0.033 0.000 1.187 109 M CA -0.399 54.927 55.300 0.043 0.000 0.993 109 M CB 1.060 33.675 32.600 0.025 0.000 1.666 109 M HN 0.674 nan 8.290 nan 0.000 0.461 110 G N 0.918 109.732 108.800 0.023 0.000 2.408 110 G HA2 0.417 4.377 3.960 -0.001 0.000 0.213 110 G HA3 0.417 4.377 3.960 -0.001 0.000 0.213 110 G C 0.233 175.139 174.900 0.010 0.000 1.177 110 G CA 0.778 45.889 45.100 0.018 0.000 0.802 110 G HN 0.823 nan 8.290 nan 0.000 0.533 111 A N -0.358 122.463 122.820 0.001 0.000 2.588 111 A HA 0.621 4.940 4.320 -0.001 0.000 0.290 111 A C -1.620 175.953 177.584 -0.019 0.000 1.136 111 A CA -0.110 51.924 52.037 -0.005 0.000 0.681 111 A CB 1.047 20.045 19.000 -0.004 0.000 1.282 111 A HN 0.273 nan 8.150 nan 0.000 0.421 112 D N -1.061 119.324 120.400 -0.025 0.000 2.592 112 D HA 0.505 5.144 4.640 -0.001 0.000 0.259 112 D C 0.612 176.886 176.300 -0.044 0.000 1.144 112 D CA -0.640 53.334 54.000 -0.044 0.000 1.080 112 D CB 0.263 41.031 40.800 -0.053 0.000 1.225 112 D HN 0.166 nan 8.370 nan 0.000 0.619 113 L N 0.103 121.287 121.223 -0.064 0.000 2.187 113 L HA -0.094 4.245 4.340 -0.001 0.000 0.213 113 L C 1.610 178.462 176.870 -0.031 0.000 1.100 113 L CA 1.471 56.277 54.840 -0.057 0.000 0.765 113 L CB -1.008 40.998 42.059 -0.089 0.000 0.904 113 L HN 0.419 nan 8.230 nan 0.000 0.437 114 N N -0.507 118.177 118.700 -0.026 0.000 2.300 114 N HA -0.087 4.652 4.740 -0.001 0.000 0.179 114 N C 1.170 176.684 175.510 0.007 0.000 1.016 114 N CA 1.008 54.059 53.050 0.002 0.000 0.876 114 N CB -0.382 38.111 38.487 0.010 0.000 0.979 114 N HN 0.565 nan 8.380 nan 0.000 0.432 115 N N 0.068 118.767 118.700 -0.002 0.000 2.461 115 N HA 0.057 4.796 4.740 -0.001 0.000 0.188 115 N C 0.694 176.205 175.510 0.003 0.000 1.134 115 N CA 0.018 53.070 53.050 0.003 0.000 0.878 115 N CB 0.345 38.832 38.487 -0.000 0.000 0.972 115 N HN 0.078 nan 8.380 nan 0.000 0.456 116 I N -0.432 120.138 120.570 -0.000 0.000 2.947 116 I HA -0.060 4.110 4.170 -0.001 0.000 0.263 116 I C 1.950 178.076 176.117 0.015 0.000 1.130 116 I CA 0.456 61.757 61.300 0.001 0.000 1.448 116 I CB -0.174 37.821 38.000 -0.009 0.000 1.222 116 I HN -0.144 nan 8.210 nan 0.000 0.453 117 V N 1.244 121.169 119.914 0.019 0.000 2.392 117 V HA -0.333 3.786 4.120 -0.001 0.000 0.249 117 V C 2.507 178.620 176.094 0.031 0.000 1.059 117 V CA 2.116 64.435 62.300 0.031 0.000 1.051 117 V CB -1.022 30.821 31.823 0.033 0.000 0.658 117 V HN 0.437 nan 8.190 nan 0.000 0.455 118 K N 0.750 121.167 120.400 0.028 0.000 2.020 118 K HA -0.229 4.090 4.320 -0.001 0.000 0.212 118 K C 1.370 177.985 176.600 0.026 0.000 1.050 118 K CA 2.259 58.563 56.287 0.028 0.000 0.929 118 K CB -0.276 32.240 32.500 0.025 0.000 0.714 118 K HN 0.683 nan 8.250 nan 0.000 0.443 119 C N 1.638 120.952 119.300 0.023 0.000 2.422 119 C HA 0.499 4.959 4.460 -0.001 0.000 0.301 119 C C -0.559 174.446 174.990 0.025 0.000 1.444 119 C CA -1.154 57.877 59.018 0.022 0.000 1.771 119 C CB -0.823 26.927 27.740 0.017 0.000 2.834 119 C HN 0.263 nan 8.230 nan 0.000 0.545 120 Q N 0.433 120.254 119.800 0.034 0.000 2.590 120 Q HA 0.441 4.780 4.340 -0.001 0.000 0.295 120 Q C -1.227 174.812 176.000 0.065 0.000 0.973 120 Q CA -0.330 55.503 55.803 0.050 0.000 0.768 120 Q CB 2.136 30.902 28.738 0.048 0.000 1.479 120 Q HN 0.463 nan 8.270 nan 0.000 0.419 121 K N 1.658 122.115 120.400 0.095 0.000 2.753 121 K HA 0.401 4.721 4.320 -0.001 0.000 0.185 121 K C -0.395 176.289 176.600 0.140 0.000 1.071 121 K CA -0.250 56.090 56.287 0.090 0.000 0.999 121 K CB 0.600 33.141 32.500 0.068 0.000 1.244 121 K HN 0.396 nan 8.250 nan 0.000 0.594 122 L N 2.757 124.073 121.223 0.155 0.000 2.660 122 L HA -0.023 4.316 4.340 -0.001 0.000 0.272 122 L C 1.036 177.955 176.870 0.082 0.000 1.194 122 L CA 0.505 55.477 54.840 0.220 0.000 0.945 122 L CB -0.605 41.548 42.059 0.157 0.000 1.212 122 L HN 0.514 nan 8.230 nan 0.000 0.490 123 T N -1.943 112.555 114.554 -0.094 0.000 2.874 123 T HA 0.078 4.427 4.350 -0.001 0.000 0.281 123 T C 0.782 175.430 174.700 -0.088 0.000 0.994 123 T CA -0.782 61.197 62.100 -0.202 0.000 1.015 123 T CB 1.689 70.289 68.868 -0.447 0.000 1.028 123 T HN 0.574 nan 8.240 nan 0.000 0.523 124 D N -0.046 120.337 120.400 -0.029 0.000 2.228 124 D HA -0.152 4.487 4.640 -0.001 0.000 0.203 124 D C 1.438 177.771 176.300 0.056 0.000 0.988 124 D CA 1.256 55.289 54.000 0.055 0.000 0.864 124 D CB -0.083 40.762 40.800 0.075 0.000 0.928 124 D HN 0.574 nan 8.370 nan 0.000 0.469 125 D N -1.294 119.101 120.400 -0.007 0.000 2.123 125 D HA -0.099 4.540 4.640 -0.001 0.000 0.200 125 D C 1.798 178.224 176.300 0.209 0.000 0.976 125 D CA 0.778 54.826 54.000 0.079 0.000 0.831 125 D CB -0.234 40.583 40.800 0.028 0.000 0.974 125 D HN 0.551 nan 8.370 nan 0.000 0.469 126 H N 0.349 119.495 119.070 0.125 0.000 2.293 126 H HA -0.076 4.480 4.556 -0.001 0.000 0.300 126 H C 2.429 177.845 175.328 0.147 0.000 1.082 126 H CA 0.612 56.748 56.048 0.147 0.000 1.308 126 H CB 0.074 29.899 29.762 0.106 0.000 1.375 126 H HN -0.091 nan 8.280 nan 0.000 0.495 127 V N 1.141 121.203 119.914 0.248 0.000 2.324 127 V HA -0.318 3.801 4.120 -0.001 0.000 0.250 127 V C 2.298 178.530 176.094 0.230 0.000 1.060 127 V CA 1.882 64.302 62.300 0.200 0.000 1.042 127 V CB -0.525 31.406 31.823 0.181 0.000 0.650 127 V HN 0.453 nan 8.190 nan 0.000 0.450 128 Q N -1.547 118.364 119.800 0.185 0.000 2.084 128 Q HA -0.221 4.118 4.340 -0.001 0.000 0.202 128 Q C 2.133 178.208 176.000 0.125 0.000 0.978 128 Q CA 2.117 57.996 55.803 0.127 0.000 0.844 128 Q CB -0.231 28.492 28.738 -0.025 0.000 0.898 128 Q HN 0.653 nan 8.270 nan 0.000 0.426 129 F N 0.715 120.514 119.950 -0.253 0.000 2.113 129 F HA -0.142 4.384 4.527 -0.001 0.000 0.297 129 F C 1.675 177.372 175.800 -0.171 0.000 1.103 129 F CA 1.204 58.903 58.000 -0.502 0.000 1.248 129 F CB -0.193 38.590 39.000 -0.362 0.000 0.999 129 F HN -0.014 nan 8.300 nan 0.000 0.475 130 L N -0.454 120.709 121.223 -0.100 0.000 2.093 130 L HA -0.226 4.113 4.340 -0.001 0.000 0.208 130 L C 2.371 179.142 176.870 -0.165 0.000 1.085 130 L CA 0.578 55.302 54.840 -0.193 0.000 0.755 130 L CB -0.640 41.381 42.059 -0.063 0.000 0.904 130 L HN 0.118 nan 8.230 nan 0.000 0.435 131 I N -1.042 119.514 120.570 -0.023 0.000 2.353 131 I HA -0.276 3.894 4.170 -0.001 0.000 0.248 131 I C 2.493 178.475 176.117 -0.225 0.000 1.119 131 I CA 1.386 62.680 61.300 -0.010 0.000 1.417 131 I CB -1.115 37.036 38.000 0.252 0.000 1.078 131 I HN 0.239 nan 8.210 nan 0.000 0.421 132 Y N 2.423 122.449 120.300 -0.458 0.000 2.081 132 Y HA -0.319 4.230 4.550 -0.001 0.000 0.280 132 Y C 2.759 178.372 175.900 -0.478 0.000 1.163 132 Y CA 2.057 59.691 58.100 -0.776 0.000 1.135 132 Y CB -0.511 37.601 38.460 -0.580 0.000 0.970 132 Y HN 0.219 nan 8.280 nan 0.000 0.498 133 Q N -0.016 119.501 119.800 -0.471 0.000 2.077 133 Q HA -0.220 4.119 4.340 -0.001 0.000 0.206 133 Q C 2.361 178.130 176.000 -0.385 0.000 0.989 133 Q CA 2.352 57.886 55.803 -0.449 0.000 0.853 133 Q CB -0.322 28.148 28.738 -0.446 0.000 0.907 133 Q HN 0.599 nan 8.270 nan 0.000 0.418 134 I N 0.499 120.870 120.570 -0.331 0.000 2.179 134 I HA -0.300 3.869 4.170 -0.001 0.000 0.242 134 I C 2.191 178.135 176.117 -0.288 0.000 1.088 134 I CA 1.168 62.309 61.300 -0.264 0.000 1.357 134 I CB -0.341 37.532 38.000 -0.211 0.000 1.051 134 I HN 0.204 nan 8.210 nan 0.000 0.409 135 L N 0.192 121.205 121.223 -0.350 0.000 2.201 135 L HA -0.169 4.171 4.340 -0.001 0.000 0.212 135 L C 2.746 179.397 176.870 -0.365 0.000 1.105 135 L CA 1.047 55.688 54.840 -0.331 0.000 0.775 135 L CB -0.505 41.338 42.059 -0.361 0.000 0.913 135 L HN 0.206 nan 8.230 nan 0.000 0.440 136 R N 0.171 120.375 120.500 -0.494 0.000 2.066 136 R HA -0.113 4.226 4.340 -0.001 0.000 0.232 136 R C 2.299 178.428 176.300 -0.284 0.000 1.131 136 R CA 1.426 57.293 56.100 -0.388 0.000 0.955 136 R CB -0.449 29.564 30.300 -0.478 0.000 0.851 136 R HN 0.343 nan 8.270 nan 0.000 0.432 137 G N 0.685 109.301 108.800 -0.308 0.000 2.408 137 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.217 137 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.217 137 G C 1.425 176.160 174.900 -0.275 0.000 1.150 137 G CA 0.461 45.328 45.100 -0.388 0.000 0.776 137 G HN 0.222 nan 8.290 nan 0.000 0.542 138 L N 0.131 121.192 121.223 -0.269 0.000 2.141 138 L HA -0.034 4.305 4.340 -0.001 0.000 0.209 138 L C 2.817 179.446 176.870 -0.401 0.000 1.094 138 L CA 1.290 55.899 54.840 -0.385 0.000 0.763 138 L CB -0.300 41.502 42.059 -0.429 0.000 0.908 138 L HN 0.259 nan 8.230 nan 0.000 0.437 139 K N 0.030 120.294 120.400 -0.227 0.000 2.032 139 K HA -0.281 4.038 4.320 -0.001 0.000 0.209 139 K C 2.314 178.889 176.600 -0.041 0.000 1.048 139 K CA 1.928 58.157 56.287 -0.097 0.000 0.927 139 K CB -0.353 32.122 32.500 -0.042 0.000 0.712 139 K HN 0.181 nan 8.250 nan 0.000 0.441 140 Y N 1.283 121.453 120.300 -0.216 0.000 2.181 140 Y HA -0.180 4.370 4.550 -0.001 0.000 0.288 140 Y C 1.866 177.695 175.900 -0.117 0.000 1.146 140 Y CA 1.598 59.593 58.100 -0.175 0.000 1.164 140 Y CB -0.089 38.132 38.460 -0.399 0.000 0.982 140 Y HN 0.046 nan 8.280 nan 0.000 0.515 141 I N -0.438 120.081 120.570 -0.086 0.000 2.163 141 I HA -0.361 3.808 4.170 -0.001 0.000 0.240 141 I C 2.228 178.341 176.117 -0.008 0.000 1.081 141 I CA 1.895 63.143 61.300 -0.087 0.000 1.353 141 I CB -0.541 37.478 38.000 0.032 0.000 1.054 141 I HN 0.325 nan 8.210 nan 0.000 0.407 142 H N -0.250 118.803 119.070 -0.028 0.000 2.423 142 H HA -0.117 4.438 4.556 -0.001 0.000 0.297 142 H C 2.408 177.716 175.328 -0.033 0.000 1.075 142 H CA 1.091 57.134 56.048 -0.008 0.000 1.342 142 H CB 0.015 29.791 29.762 0.024 0.000 1.395 142 H HN 0.380 nan 8.280 nan 0.000 0.530 143 S N 0.477 116.205 115.700 0.047 0.000 2.500 143 S HA -0.036 4.433 4.470 -0.001 0.000 0.239 143 S C 1.803 176.387 174.600 -0.025 0.000 0.989 143 S CA 0.666 58.869 58.200 0.004 0.000 0.951 143 S CB 0.105 63.289 63.200 -0.026 0.000 0.759 143 S HN 0.421 nan 8.310 nan 0.000 0.523 144 A N 0.631 123.414 122.820 -0.060 0.000 2.535 144 A HA 0.421 4.741 4.320 -0.001 0.000 0.273 144 A C 0.173 177.770 177.584 0.023 0.000 1.267 144 A CA -0.059 51.953 52.037 -0.042 0.000 0.940 144 A CB -0.094 18.817 19.000 -0.148 0.000 1.101 144 A HN 0.256 nan 8.150 nan 0.000 0.521 145 D N -0.374 120.050 120.400 0.041 0.000 2.772 145 D HA -0.153 4.486 4.640 -0.001 0.000 0.233 145 D C -0.324 176.025 176.300 0.081 0.000 1.143 145 D CA 1.131 55.166 54.000 0.058 0.000 0.700 145 D CB -1.463 39.368 40.800 0.051 0.000 1.076 145 D HN 0.598 nan 8.370 nan 0.000 0.430 146 I N 0.643 121.253 120.570 0.068 0.000 2.354 146 I HA 0.365 4.534 4.170 -0.001 0.000 0.292 146 I C 0.681 176.918 176.117 0.202 0.000 0.989 146 I CA -0.783 60.553 61.300 0.060 0.000 1.188 146 I CB 1.399 39.314 38.000 -0.143 0.000 1.342 146 I HN -0.154 nan 8.210 nan 0.000 0.457 147 I N 5.282 125.973 120.570 0.202 0.000 2.378 147 I HA 0.187 4.357 4.170 -0.001 0.000 0.291 147 I C 1.239 177.516 176.117 0.266 0.000 0.992 147 I CA -0.555 60.893 61.300 0.248 0.000 1.154 147 I CB 1.553 39.666 38.000 0.189 0.000 1.315 147 I HN 0.666 nan 8.210 nan 0.000 0.448 148 H N 7.037 126.247 119.070 0.234 0.000 2.293 148 H HA -0.070 4.485 4.556 -0.001 0.000 0.300 148 H C 1.137 176.478 175.328 0.022 0.000 1.082 148 H CA 2.201 58.319 56.048 0.116 0.000 1.308 148 H CB 0.421 30.173 29.762 -0.016 0.000 1.375 148 H HN 0.669 nan 8.280 nan 0.000 0.495 149 R N -1.120 119.502 120.500 0.204 0.000 3.603 149 R HA -0.184 4.156 4.340 -0.001 0.000 0.479 149 R C -0.316 176.026 176.300 0.069 0.000 0.745 149 R CA 1.358 57.468 56.100 0.018 0.000 1.476 149 R CB -1.476 28.773 30.300 -0.086 0.000 2.147 149 R HN 0.365 nan 8.270 nan 0.000 0.447 150 D N 0.246 120.825 120.400 0.300 0.000 3.078 150 D HA 0.251 4.890 4.640 -0.001 0.000 0.363 150 D C -0.734 175.528 176.300 -0.064 0.000 1.391 150 D CA -0.217 53.867 54.000 0.140 0.000 0.754 150 D CB 0.404 41.299 40.800 0.158 0.000 1.238 150 D HN 0.099 nan 8.370 nan 0.000 0.500 151 L N 1.377 122.452 121.223 -0.246 0.000 2.455 151 L HA 0.319 4.658 4.340 -0.001 0.000 0.272 151 L C 0.285 176.962 176.870 -0.321 0.000 1.174 151 L CA 0.605 55.167 54.840 -0.463 0.000 0.869 151 L CB 0.506 42.356 42.059 -0.347 0.000 1.130 151 L HN 0.043 nan 8.230 nan 0.000 0.474 152 K N 3.526 123.671 120.400 -0.424 0.000 2.579 152 K HA 0.288 4.608 4.320 -0.001 0.000 0.284 152 K C -2.224 174.078 176.600 -0.497 0.000 0.990 152 K CA -1.435 54.483 56.287 -0.614 0.000 0.880 152 K CB 1.645 33.896 32.500 -0.414 0.000 1.488 152 K HN 0.054 nan 8.250 nan 0.000 0.425 153 P HA -0.190 nan 4.420 nan 0.000 0.220 153 P C 1.084 178.266 177.300 -0.197 0.000 1.148 153 P CA 1.269 64.190 63.100 -0.298 0.000 0.803 153 P CB 0.216 31.780 31.700 -0.226 0.000 0.782 154 S N -0.124 115.466 115.700 -0.183 0.000 2.453 154 S HA -0.101 4.368 4.470 -0.001 0.000 0.231 154 S C 1.241 175.768 174.600 -0.122 0.000 1.005 154 S CA 0.957 59.088 58.200 -0.116 0.000 0.949 154 S CB -1.275 61.876 63.200 -0.083 0.000 0.774 154 S HN 0.201 nan 8.310 nan 0.000 0.510 155 N N 0.926 119.528 118.700 -0.164 0.000 2.321 155 N HA 0.319 5.058 4.740 -0.001 0.000 0.242 155 N C -0.730 174.673 175.510 -0.178 0.000 1.141 155 N CA -0.337 52.620 53.050 -0.155 0.000 0.864 155 N CB -0.078 38.329 38.487 -0.133 0.000 1.100 155 N HN 0.382 nan 8.380 nan 0.000 0.510 156 L N 0.559 121.682 121.223 -0.167 0.000 2.342 156 L HA 0.744 5.083 4.340 -0.001 0.000 0.276 156 L C -0.493 176.312 176.870 -0.110 0.000 0.997 156 L CA -1.073 53.674 54.840 -0.155 0.000 0.838 156 L CB 1.669 43.621 42.059 -0.179 0.000 1.224 156 L HN 0.128 nan 8.230 nan 0.000 0.416 157 A N 3.926 126.694 122.820 -0.088 0.000 2.306 157 A HA 0.828 5.147 4.320 -0.001 0.000 0.314 157 A C -0.548 177.000 177.584 -0.060 0.000 1.164 157 A CA -0.452 51.548 52.037 -0.061 0.000 0.822 157 A CB 1.377 20.354 19.000 -0.039 0.000 1.130 157 A HN 0.406 nan 8.150 nan 0.000 0.496 158 V N 3.793 123.679 119.914 -0.046 0.000 2.531 158 V HA 0.324 4.443 4.120 -0.001 0.000 0.301 158 V C -0.339 175.744 176.094 -0.020 0.000 1.034 158 V CA -1.027 61.249 62.300 -0.041 0.000 0.865 158 V CB 1.672 33.469 31.823 -0.043 0.000 0.995 158 V HN 1.074 nan 8.190 nan 0.000 0.424 159 N N 2.704 121.396 118.700 -0.013 0.000 2.434 159 N HA 0.154 4.893 4.740 -0.001 0.000 0.266 159 N C 0.971 176.485 175.510 0.006 0.000 1.223 159 N CA -0.413 52.638 53.050 0.001 0.000 0.972 159 N CB 0.825 39.313 38.487 0.002 0.000 1.207 159 N HN 0.769 nan 8.380 nan 0.000 0.525 160 E N -0.379 119.827 120.200 0.010 0.000 2.136 160 E HA -0.293 4.056 4.350 -0.001 0.000 0.202 160 E C -0.017 176.588 176.600 0.009 0.000 1.019 160 E CA 1.618 58.023 56.400 0.007 0.000 0.819 160 E CB -0.119 29.587 29.700 0.010 0.000 0.739 160 E HN 0.569 nan 8.360 nan 0.000 0.458 161 D N -0.814 119.601 120.400 0.025 0.000 2.352 161 D HA -0.029 4.610 4.640 -0.001 0.000 0.232 161 D C 0.459 176.818 176.300 0.099 0.000 1.055 161 D CA 0.523 54.550 54.000 0.045 0.000 0.891 161 D CB -0.112 40.721 40.800 0.055 0.000 0.897 161 D HN 0.271 nan 8.370 nan 0.000 0.529 162 C N 0.701 120.046 119.300 0.075 0.000 4.465 162 C HA -0.176 4.284 4.460 -0.001 0.000 0.274 162 C C 0.472 175.539 174.990 0.129 0.000 1.337 162 C CA -0.186 58.899 59.018 0.112 0.000 1.822 162 C CB -2.299 25.547 27.740 0.177 0.000 1.357 162 C HN 0.372 nan 8.230 nan 0.000 0.753 163 E N 0.103 120.353 120.200 0.084 0.000 2.259 163 E HA 0.500 4.849 4.350 -0.001 0.000 0.281 163 E C -0.025 176.525 176.600 -0.083 0.000 1.037 163 E CA 0.045 56.444 56.400 -0.001 0.000 0.854 163 E CB 0.880 30.596 29.700 0.027 0.000 1.051 163 E HN 0.577 nan 8.360 nan 0.000 0.409 164 L N 3.087 124.213 121.223 -0.163 0.000 2.334 164 L HA 0.506 4.846 4.340 -0.001 0.000 0.273 164 L C -1.025 175.776 176.870 -0.116 0.000 1.013 164 L CA -0.640 54.114 54.840 -0.144 0.000 0.816 164 L CB 1.017 42.960 42.059 -0.192 0.000 1.278 164 L HN 0.423 nan 8.230 nan 0.000 0.431 165 K N 5.010 125.357 120.400 -0.088 0.000 2.375 165 K HA 0.539 4.859 4.320 -0.001 0.000 0.249 165 K C -1.298 175.264 176.600 -0.064 0.000 0.942 165 K CA -0.700 55.553 56.287 -0.055 0.000 0.806 165 K CB 2.671 35.156 32.500 -0.025 0.000 1.227 165 K HN 0.504 nan 8.250 nan 0.000 0.430 166 I N 3.694 124.242 120.570 -0.037 0.000 2.342 166 I HA 0.215 4.385 4.170 -0.001 0.000 0.291 166 I C -0.571 175.514 176.117 -0.054 0.000 1.010 166 I CA -0.674 60.581 61.300 -0.076 0.000 1.308 166 I CB 0.543 38.518 38.000 -0.042 0.000 1.400 166 I HN 0.230 nan 8.210 nan 0.000 0.488 167 L N 4.542 125.681 121.223 -0.139 0.000 2.235 167 L HA 0.551 4.890 4.340 -0.001 0.000 0.260 167 L C -0.670 176.050 176.870 -0.250 0.000 1.025 167 L CA -0.536 54.218 54.840 -0.142 0.000 0.836 167 L CB 0.773 42.776 42.059 -0.093 0.000 1.395 167 L HN 0.456 nan 8.230 nan 0.000 0.443 168 D N 0.389 120.643 120.400 -0.243 0.000 3.585 168 D HA -0.177 4.462 4.640 -0.001 0.000 0.251 168 D C -1.540 174.421 176.300 -0.566 0.000 1.065 168 D CA 0.803 54.634 54.000 -0.283 0.000 1.048 168 D CB -0.933 39.776 40.800 -0.151 0.000 0.952 168 D HN 0.143 nan 8.370 nan 0.000 0.421 169 F N 0.584 120.427 119.950 -0.178 0.000 2.482 169 F HA 0.564 5.090 4.527 -0.001 0.000 0.331 169 F C 1.558 177.268 175.800 -0.149 0.000 1.115 169 F CA -0.111 57.765 58.000 -0.207 0.000 0.955 169 F CB 2.039 40.958 39.000 -0.135 0.000 1.136 169 F HN 0.301 nan 8.300 nan 0.000 0.452 170 G N 3.137 111.978 108.800 0.068 0.000 2.198 170 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.260 170 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.260 170 G C -0.106 174.777 174.900 -0.030 0.000 1.025 170 G CA -0.277 44.839 45.100 0.027 0.000 0.769 170 G HN 0.544 nan 8.290 nan 0.000 0.507 171 L N 0.135 121.314 121.223 -0.074 0.000 2.418 171 L HA 0.564 4.903 4.340 -0.001 0.000 0.265 171 L C 1.483 178.292 176.870 -0.102 0.000 1.143 171 L CA -0.248 54.534 54.840 -0.096 0.000 0.809 171 L CB 0.868 42.846 42.059 -0.136 0.000 1.124 171 L HN 0.410 nan 8.230 nan 0.000 0.456 172 A N 2.094 124.846 122.820 -0.113 0.000 2.586 172 A HA 0.306 4.625 4.320 -0.001 0.000 0.231 172 A C 0.682 178.174 177.584 -0.153 0.000 1.055 172 A CA 0.261 52.216 52.037 -0.137 0.000 0.756 172 A CB -0.024 18.891 19.000 -0.141 0.000 0.988 172 A HN 0.863 nan 8.150 nan 0.000 0.509 173 R N 1.623 122.055 120.500 -0.113 0.000 2.643 173 R HA 0.265 4.604 4.340 -0.001 0.000 0.270 173 R C 0.209 176.454 176.300 -0.093 0.000 1.061 173 R CA 0.156 56.217 56.100 -0.066 0.000 1.107 173 R CB -0.305 29.980 30.300 -0.026 0.000 0.999 173 R HN 0.887 nan 8.270 nan 0.000 0.460 174 H N 1.295 120.347 119.070 -0.030 0.000 2.803 174 H HA 0.101 4.656 4.556 -0.001 0.000 0.330 174 H C 0.689 176.005 175.328 -0.019 0.000 1.057 174 H CA 0.957 56.990 56.048 -0.025 0.000 1.458 174 H CB 1.101 30.844 29.762 -0.032 0.000 1.470 174 H HN 0.896 nan 8.280 nan 0.000 0.560 175 T N 0.255 114.858 114.554 0.081 0.000 2.855 175 T HA -0.064 4.285 4.350 -0.001 0.000 0.314 175 T C 1.230 175.967 174.700 0.061 0.000 1.077 175 T CA -0.707 61.422 62.100 0.049 0.000 1.095 175 T CB 0.798 69.682 68.868 0.027 0.000 0.987 175 T HN 0.425 nan 8.240 nan 0.000 0.546 176 D N 0.300 120.723 120.400 0.038 0.000 2.149 176 D HA -0.091 4.548 4.640 -0.001 0.000 0.198 176 D C 1.681 178.007 176.300 0.042 0.000 0.990 176 D CA 1.337 55.358 54.000 0.036 0.000 0.839 176 D CB -0.355 40.451 40.800 0.010 0.000 0.948 176 D HN 0.868 nan 8.370 nan 0.000 0.460 177 D N 0.138 120.557 120.400 0.032 0.000 2.144 177 D HA -0.090 4.550 4.640 -0.001 0.000 0.200 177 D C 1.602 177.919 176.300 0.028 0.000 0.978 177 D CA 0.768 54.785 54.000 0.028 0.000 0.833 177 D CB 0.140 40.952 40.800 0.020 0.000 0.961 177 D HN 0.161 nan 8.370 nan 0.000 0.470 178 E N -1.026 119.199 120.200 0.040 0.000 2.409 178 E HA -0.078 4.271 4.350 -0.001 0.000 0.198 178 E C 1.027 177.608 176.600 -0.032 0.000 1.024 178 E CA 0.465 56.887 56.400 0.036 0.000 0.861 178 E CB 0.172 29.956 29.700 0.140 0.000 0.788 178 E HN 0.411 nan 8.360 nan 0.000 0.521 179 M N -0.070 119.522 119.600 -0.014 0.000 2.333 179 M HA 0.112 4.591 4.480 -0.001 0.000 0.257 179 M C 0.256 176.548 176.300 -0.014 0.000 1.078 179 M CA 0.410 55.670 55.300 -0.067 0.000 1.005 179 M CB 0.592 33.185 32.600 -0.010 0.000 1.444 179 M HN -0.216 nan 8.290 nan 0.000 0.496 180 T N 1.266 115.845 114.554 0.041 0.000 2.856 180 T HA 0.579 4.928 4.350 -0.001 0.000 0.292 180 T C 0.818 175.543 174.700 0.043 0.000 0.980 180 T CA 0.681 62.836 62.100 0.091 0.000 1.091 180 T CB 1.522 70.436 68.868 0.076 0.000 0.936 180 T HN 0.647 nan 8.240 nan 0.000 0.503 181 G N 1.863 110.717 108.800 0.090 0.000 2.542 181 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.235 181 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.235 181 G C -0.570 174.425 174.900 0.159 0.000 1.286 181 G CA -0.377 44.794 45.100 0.120 0.000 0.904 181 G HN 0.749 nan 8.290 nan 0.000 0.577 182 Y N 1.799 122.144 120.300 0.074 0.000 2.735 182 Y HA 0.480 5.030 4.550 -0.001 0.000 0.354 182 Y C 0.983 176.861 175.900 -0.036 0.000 1.288 182 Y CA -0.120 58.093 58.100 0.188 0.000 1.836 182 Y CB -0.340 38.254 38.460 0.224 0.000 1.920 182 Y HN 0.990 nan 8.280 nan 0.000 0.438 183 V N 0.249 119.829 119.914 -0.556 0.000 2.604 183 V HA 0.752 4.871 4.120 -0.001 0.000 0.305 183 V C 0.813 175.831 176.094 -1.794 0.000 1.043 183 V CA -0.308 61.430 62.300 -0.937 0.000 0.888 183 V CB 1.188 32.727 31.823 -0.473 0.000 0.995 183 V HN 0.430 nan 8.190 nan 0.000 0.429 184 A N 2.818 124.608 122.820 -1.716 0.000 2.070 184 A HA -0.072 4.247 4.320 -0.001 0.000 0.220 184 A C 2.025 179.297 177.584 -0.519 0.000 1.159 184 A CA 2.220 53.511 52.037 -1.243 0.000 0.656 184 A CB -0.980 17.736 19.000 -0.474 0.000 0.800 184 A HN 1.433 nan 8.150 nan 0.000 0.453 185 T N -3.060 111.189 114.554 -0.509 0.000 3.007 185 T HA -0.062 4.287 4.350 -0.001 0.000 0.270 185 T C 1.706 176.212 174.700 -0.325 0.000 1.107 185 T CA 1.319 63.193 62.100 -0.376 0.000 1.118 185 T CB -0.109 68.492 68.868 -0.445 0.000 0.889 185 T HN 0.524 nan 8.240 nan 0.000 0.506 186 R N -1.363 118.911 120.500 -0.377 0.000 2.344 186 R HA 0.159 4.498 4.340 -0.001 0.000 0.209 186 R C 1.271 177.542 176.300 -0.049 0.000 0.886 186 R CA -0.227 55.728 56.100 -0.241 0.000 1.040 186 R CB 0.194 30.300 30.300 -0.322 0.000 1.114 186 R HN 0.351 nan 8.270 nan 0.000 0.547 187 W N 0.148 121.338 121.300 -0.183 0.000 2.421 187 W HA -0.112 4.547 4.660 -0.001 0.000 0.270 187 W C 0.618 176.949 176.519 -0.313 0.000 1.233 187 W CA 0.657 57.819 57.345 -0.305 0.000 1.226 187 W CB -0.549 28.585 29.460 -0.542 0.000 1.121 187 W HN 0.147 nan 8.180 nan 0.000 0.579 188 Y N -0.330 120.113 120.300 0.239 0.000 2.485 188 Y HA 0.248 4.797 4.550 -0.001 0.000 0.260 188 Y C 1.037 177.076 175.900 0.232 0.000 1.173 188 Y CA -0.334 57.900 58.100 0.224 0.000 1.252 188 Y CB -0.268 38.255 38.460 0.106 0.000 1.123 188 Y HN -0.354 nan 8.280 nan 0.000 0.524 189 R N 1.058 121.695 120.500 0.228 0.000 2.410 189 R HA 0.597 4.936 4.340 -0.001 0.000 0.288 189 R C 0.177 176.429 176.300 -0.080 0.000 1.051 189 R CA -0.515 55.627 56.100 0.072 0.000 1.021 189 R CB 0.914 31.173 30.300 -0.069 0.000 1.032 189 R HN 0.129 nan 8.270 nan 0.000 0.481 190 A N 4.577 127.232 122.820 -0.274 0.000 2.498 190 A HA 0.137 4.456 4.320 -0.001 0.000 0.239 190 A C -1.223 175.872 177.584 -0.815 0.000 1.068 190 A CA -1.177 50.328 52.037 -0.888 0.000 0.766 190 A CB 0.012 18.701 19.000 -0.518 0.000 1.003 190 A HN 0.579 nan 8.150 nan 0.000 0.497 191 P HA -0.260 nan 4.420 nan 0.000 0.216 191 P C 1.086 177.670 177.300 -1.194 0.000 1.150 191 P CA 1.728 64.212 63.100 -1.026 0.000 0.843 191 P CB -0.006 31.030 31.700 -1.106 0.000 0.787 192 E N 1.254 120.860 120.200 -0.990 0.000 2.219 192 E HA -0.186 4.163 4.350 -0.001 0.000 0.198 192 E C 2.009 178.386 176.600 -0.371 0.000 0.998 192 E CA 1.548 57.575 56.400 -0.621 0.000 0.818 192 E CB -1.115 28.513 29.700 -0.121 0.000 0.741 192 E HN 0.439 nan 8.360 nan 0.000 0.477 193 I N -2.802 117.569 120.570 -0.332 0.000 3.854 193 I HA 0.190 4.359 4.170 -0.001 0.000 0.312 193 I C 2.689 178.680 176.117 -0.210 0.000 1.273 193 I CA 0.020 61.208 61.300 -0.188 0.000 1.298 193 I CB -0.268 37.613 38.000 -0.199 0.000 1.071 193 I HN -0.093 nan 8.210 nan 0.000 0.428 194 M N 1.487 120.900 119.600 -0.312 0.000 2.296 194 M HA 0.006 4.486 4.480 -0.001 0.000 0.265 194 M C 1.035 177.278 176.300 -0.094 0.000 1.064 194 M CA 1.939 57.114 55.300 -0.208 0.000 1.109 194 M CB 0.229 32.668 32.600 -0.269 0.000 1.396 194 M HN 0.329 nan 8.290 nan 0.000 0.430 195 L N -0.218 120.869 121.223 -0.226 0.000 3.229 195 L HA 0.264 4.603 4.340 -0.001 0.000 0.286 195 L C -0.087 176.775 176.870 -0.013 0.000 1.239 195 L CA -0.408 54.384 54.840 -0.080 0.000 1.035 195 L CB 0.224 42.269 42.059 -0.024 0.000 1.408 195 L HN 0.198 nan 8.230 nan 0.000 0.593 196 N N 0.278 118.938 118.700 -0.066 0.000 2.688 196 N HA -0.241 4.498 4.740 -0.001 0.000 0.258 196 N C 0.511 176.124 175.510 0.172 0.000 1.016 196 N CA 0.556 53.622 53.050 0.027 0.000 0.747 196 N CB -0.585 37.917 38.487 0.025 0.000 0.895 196 N HN 0.436 nan 8.380 nan 0.000 0.543 197 W N -0.013 121.286 121.300 -0.003 0.000 2.355 197 W HA 0.028 4.687 4.660 -0.001 0.000 0.309 197 W C 1.862 178.379 176.519 -0.003 0.000 1.206 197 W CA 0.932 58.275 57.345 -0.003 0.000 1.284 197 W CB -0.250 29.204 29.460 -0.009 0.000 1.145 197 W HN 0.429 nan 8.180 nan 0.000 0.502 198 M N -2.809 116.936 119.600 0.243 0.000 3.331 198 M HA 0.290 4.769 4.480 -0.001 0.000 0.281 198 M C -0.887 175.456 176.300 0.071 0.000 1.338 198 M CA -0.771 54.612 55.300 0.138 0.000 0.827 198 M CB 1.693 34.387 32.600 0.156 0.000 1.674 198 M HN -0.280 nan 8.290 nan 0.000 0.477 199 H N 2.458 121.530 119.070 0.002 0.000 2.944 199 H HA 0.290 4.845 4.556 -0.001 0.000 0.278 199 H C -1.036 174.220 175.328 -0.121 0.000 1.083 199 H CA 0.497 56.471 56.048 -0.123 0.000 1.479 199 H CB -0.224 29.446 29.762 -0.153 0.000 1.486 199 H HN 0.545 nan 8.280 nan 0.000 0.493 200 Y N 3.431 123.815 120.300 0.140 0.000 2.335 200 Y HA 0.131 4.680 4.550 -0.001 0.000 0.348 200 Y C 0.219 176.178 175.900 0.097 0.000 1.280 200 Y CA -0.935 57.218 58.100 0.088 0.000 1.504 200 Y CB 0.362 38.839 38.460 0.028 0.000 1.366 200 Y HN 0.591 nan 8.280 nan 0.000 0.621 201 N N -1.066 117.846 118.700 0.354 0.000 3.102 201 N HA 0.147 4.886 4.740 -0.001 0.000 0.299 201 N C 0.089 175.705 175.510 0.176 0.000 1.482 201 N CA -0.464 52.705 53.050 0.200 0.000 0.785 201 N CB 0.364 38.899 38.487 0.080 0.000 1.680 201 N HN 0.794 nan 8.380 nan 0.000 0.594 202 Q N -1.401 118.396 119.800 -0.005 0.000 2.364 202 Q HA -0.093 4.247 4.340 -0.001 0.000 0.209 202 Q C 0.380 176.298 176.000 -0.137 0.000 0.977 202 Q CA 1.846 57.513 55.803 -0.227 0.000 0.885 202 Q CB -0.870 27.447 28.738 -0.702 0.000 0.941 202 Q HN 0.787 nan 8.270 nan 0.000 0.464 203 T N -1.085 113.476 114.554 0.012 0.000 3.163 203 T HA 0.024 4.373 4.350 -0.001 0.000 0.260 203 T C 1.837 176.632 174.700 0.157 0.000 1.156 203 T CA 0.614 62.778 62.100 0.108 0.000 1.072 203 T CB -0.307 68.635 68.868 0.123 0.000 0.937 203 T HN 0.335 nan 8.240 nan 0.000 0.528 204 V N -0.044 119.940 119.914 0.116 0.000 2.490 204 V HA -0.129 3.990 4.120 -0.001 0.000 0.250 204 V C 2.043 178.234 176.094 0.161 0.000 1.061 204 V CA 1.673 64.031 62.300 0.097 0.000 1.064 204 V CB -0.698 31.102 31.823 -0.038 0.000 0.670 204 V HN 0.228 nan 8.190 nan 0.000 0.461 205 D N 0.721 121.224 120.400 0.171 0.000 2.144 205 D HA -0.052 4.588 4.640 -0.001 0.000 0.200 205 D C 2.240 178.649 176.300 0.181 0.000 0.978 205 D CA 1.341 55.452 54.000 0.185 0.000 0.833 205 D CB -0.105 40.859 40.800 0.272 0.000 0.961 205 D HN 0.404 nan 8.370 nan 0.000 0.470 206 I N 0.575 121.274 120.570 0.215 0.000 2.226 206 I HA -0.234 3.936 4.170 -0.001 0.000 0.245 206 I C 2.400 178.624 176.117 0.177 0.000 1.100 206 I CA 0.775 62.179 61.300 0.173 0.000 1.374 206 I CB -1.086 37.022 38.000 0.181 0.000 1.057 206 I HN 0.289 nan 8.210 nan 0.000 0.413 207 W N 2.148 123.499 121.300 0.085 0.000 2.338 207 W HA -0.235 4.425 4.660 -0.001 0.000 0.304 207 W C 2.522 179.109 176.519 0.113 0.000 1.212 207 W CA 1.875 59.282 57.345 0.103 0.000 1.264 207 W CB -0.307 29.206 29.460 0.088 0.000 1.142 207 W HN 0.105 nan 8.180 nan 0.000 0.512 208 S N 0.730 116.611 115.700 0.302 0.000 2.368 208 S HA -0.185 4.284 4.470 -0.001 0.000 0.225 208 S C 1.866 176.503 174.600 0.063 0.000 1.030 208 S CA 1.686 60.014 58.200 0.214 0.000 0.999 208 S CB -0.770 62.520 63.200 0.150 0.000 0.844 208 S HN 0.118 nan 8.310 nan 0.000 0.459 209 V N 1.744 121.667 119.914 0.015 0.000 2.392 209 V HA -0.178 3.941 4.120 -0.001 0.000 0.249 209 V C 2.568 178.623 176.094 -0.066 0.000 1.059 209 V CA 1.928 64.207 62.300 -0.035 0.000 1.051 209 V CB -1.478 30.329 31.823 -0.025 0.000 0.658 209 V HN 0.598 nan 8.190 nan 0.000 0.455 210 G N -1.354 107.376 108.800 -0.117 0.000 2.402 210 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.216 210 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.216 210 G C 1.723 176.476 174.900 -0.244 0.000 1.162 210 G CA 1.234 46.204 45.100 -0.217 0.000 0.777 210 G HN 0.541 nan 8.290 nan 0.000 0.539 211 C N 0.315 119.493 119.300 -0.203 0.000 2.429 211 C HA 0.056 4.515 4.460 -0.001 0.000 0.277 211 C C 2.849 177.859 174.990 0.034 0.000 1.262 211 C CA 0.474 59.422 59.018 -0.117 0.000 1.733 211 C CB -0.953 26.851 27.740 0.106 0.000 2.010 211 C HN 0.473 nan 8.230 nan 0.000 0.483 212 I N 0.316 120.934 120.570 0.080 0.000 2.163 212 I HA -0.268 3.901 4.170 -0.001 0.000 0.240 212 I C 2.663 178.766 176.117 -0.023 0.000 1.081 212 I CA 1.690 63.016 61.300 0.044 0.000 1.353 212 I CB -0.523 37.438 38.000 -0.065 0.000 1.054 212 I HN 0.308 nan 8.210 nan 0.000 0.407 213 M N 0.771 120.330 119.600 -0.067 0.000 2.106 213 M HA -0.275 4.204 4.480 -0.001 0.000 0.259 213 M C 2.398 178.610 176.300 -0.147 0.000 1.068 213 M CA 2.331 57.580 55.300 -0.086 0.000 1.100 213 M CB -0.157 32.380 32.600 -0.106 0.000 1.351 213 M HN 0.319 nan 8.290 nan 0.000 0.404 214 A N -0.254 122.432 122.820 -0.223 0.000 1.902 214 A HA -0.249 4.070 4.320 -0.001 0.000 0.217 214 A C 1.881 179.400 177.584 -0.109 0.000 1.181 214 A CA 2.068 53.943 52.037 -0.271 0.000 0.623 214 A CB -0.896 17.929 19.000 -0.292 0.000 0.818 214 A HN 0.722 nan 8.150 nan 0.000 0.443 215 E N -0.068 120.091 120.200 -0.068 0.000 2.110 215 E HA -0.152 4.198 4.350 -0.001 0.000 0.193 215 E C 1.812 178.412 176.600 0.000 0.000 0.988 215 E CA 1.169 57.560 56.400 -0.015 0.000 0.804 215 E CB -0.220 29.515 29.700 0.059 0.000 0.745 215 E HN 0.648 nan 8.360 nan 0.000 0.458 216 L N 0.267 121.488 121.223 -0.004 0.000 2.217 216 L HA -0.096 4.244 4.340 -0.001 0.000 0.211 216 L C 2.357 179.236 176.870 0.016 0.000 1.107 216 L CA 0.495 55.344 54.840 0.016 0.000 0.783 216 L CB -0.237 41.838 42.059 0.026 0.000 0.919 216 L HN 0.242 nan 8.230 nan 0.000 0.442 217 L N -0.548 120.666 121.223 -0.015 0.000 2.131 217 L HA -0.088 4.251 4.340 -0.001 0.000 0.206 217 L C 2.661 179.546 176.870 0.025 0.000 1.087 217 L CA 1.657 56.492 54.840 -0.008 0.000 0.767 217 L CB -0.553 41.457 42.059 -0.081 0.000 0.917 217 L HN 0.404 nan 8.230 nan 0.000 0.441 218 T N -4.678 109.895 114.554 0.032 0.000 3.040 218 T HA 0.202 4.551 4.350 -0.001 0.000 0.252 218 T C 1.507 176.215 174.700 0.013 0.000 1.064 218 T CA 0.588 62.712 62.100 0.040 0.000 1.110 218 T CB 0.656 69.556 68.868 0.054 0.000 0.921 218 T HN 0.386 nan 8.240 nan 0.000 0.480 219 G N 1.947 110.753 108.800 0.010 0.000 2.143 219 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.249 219 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.249 219 G C -0.017 174.880 174.900 -0.004 0.000 0.981 219 G CA -0.081 45.026 45.100 0.011 0.000 0.665 219 G HN 0.704 nan 8.290 nan 0.000 0.528 220 R N -0.055 120.429 120.500 -0.027 0.000 2.744 220 R HA 0.553 4.892 4.340 -0.001 0.000 0.279 220 R C -0.202 176.027 176.300 -0.118 0.000 0.977 220 R CA -0.570 55.491 56.100 -0.066 0.000 0.906 220 R CB 0.554 30.805 30.300 -0.082 0.000 1.197 220 R HN 0.122 nan 8.270 nan 0.000 0.463 221 T N 2.798 117.241 114.554 -0.185 0.000 2.867 221 T HA -0.017 4.332 4.350 -0.001 0.000 0.297 221 T C 1.635 176.111 174.700 -0.373 0.000 0.989 221 T CA -0.098 61.814 62.100 -0.314 0.000 1.159 221 T CB 0.432 68.944 68.868 -0.593 0.000 0.928 221 T HN 0.364 nan 8.240 nan 0.000 0.538 222 L N 3.334 124.301 121.223 -0.427 0.000 2.017 222 L HA 0.144 4.483 4.340 -0.001 0.000 0.208 222 L C 0.394 176.863 176.870 -0.669 0.000 1.073 222 L CA 1.847 56.317 54.840 -0.616 0.000 0.745 222 L CB -0.182 41.363 42.059 -0.857 0.000 0.894 222 L HN 0.608 nan 8.230 nan 0.000 0.432 223 F N 0.330 120.104 119.950 -0.293 0.000 2.449 223 F HA 0.414 4.940 4.527 -0.001 0.000 0.329 223 F C -2.132 173.356 175.800 -0.520 0.000 1.245 223 F CA -3.059 54.786 58.000 -0.257 0.000 1.193 223 F CB -0.137 38.816 39.000 -0.079 0.000 1.425 223 F HN 0.001 nan 8.300 nan 0.000 0.544 224 P HA 0.134 nan 4.420 nan 0.000 0.230 224 P C 0.794 177.962 177.300 -0.220 0.000 1.791 224 P CA 0.087 62.575 63.100 -1.019 0.000 1.020 224 P CB 0.223 31.537 31.700 -0.644 0.000 1.977 225 G N 0.951 109.744 108.800 -0.012 0.000 2.441 225 G HA2 0.187 4.147 3.960 -0.001 0.000 0.243 225 G HA3 0.187 4.147 3.960 -0.001 0.000 0.243 225 G C 1.090 176.275 174.900 0.475 0.000 1.281 225 G CA -0.209 45.033 45.100 0.238 0.000 0.854 225 G HN 0.319 nan 8.290 nan 0.000 0.560 226 T N -1.766 113.011 114.554 0.371 0.000 3.100 226 T HA 0.245 4.595 4.350 -0.001 0.000 0.253 226 T C 0.413 175.277 174.700 0.273 0.000 1.118 226 T CA 0.687 63.032 62.100 0.408 0.000 1.058 226 T CB -0.256 68.736 68.868 0.206 0.000 0.953 226 T HN 0.806 nan 8.240 nan 0.000 0.515 227 D N -1.627 118.900 120.400 0.213 0.000 2.809 227 D HA 0.178 4.817 4.640 -0.001 0.000 0.336 227 D C 0.092 176.483 176.300 0.151 0.000 1.367 227 D CA -0.799 53.308 54.000 0.179 0.000 0.815 227 D CB 0.059 40.960 40.800 0.167 0.000 1.381 227 D HN -0.092 nan 8.370 nan 0.000 0.471 228 H N -0.458 118.636 119.070 0.040 0.000 2.290 228 H HA 0.027 4.582 4.556 -0.001 0.000 0.298 228 H C 1.662 177.009 175.328 0.033 0.000 1.087 228 H CA 1.880 57.939 56.048 0.018 0.000 1.291 228 H CB -0.141 29.611 29.762 -0.016 0.000 1.369 228 H HN 0.312 nan 8.280 nan 0.000 0.492 229 I N 0.497 121.172 120.570 0.176 0.000 2.179 229 I HA -0.226 3.943 4.170 -0.001 0.000 0.242 229 I C 2.103 178.300 176.117 0.132 0.000 1.088 229 I CA 1.595 62.980 61.300 0.140 0.000 1.357 229 I CB -0.906 37.146 38.000 0.088 0.000 1.051 229 I HN 0.294 nan 8.210 nan 0.000 0.409 230 D N 0.485 120.956 120.400 0.117 0.000 2.123 230 D HA -0.273 4.366 4.640 -0.001 0.000 0.196 230 D C 2.266 178.619 176.300 0.088 0.000 0.992 230 D CA 1.434 55.496 54.000 0.103 0.000 0.833 230 D CB -0.000 40.866 40.800 0.111 0.000 0.954 230 D HN 0.304 nan 8.370 nan 0.000 0.455 231 Q N -0.829 119.023 119.800 0.086 0.000 2.119 231 Q HA -0.133 4.206 4.340 -0.001 0.000 0.201 231 Q C 2.118 178.102 176.000 -0.027 0.000 0.972 231 Q CA 0.873 56.702 55.803 0.044 0.000 0.847 231 Q CB -0.160 28.605 28.738 0.045 0.000 0.903 231 Q HN 0.357 nan 8.270 nan 0.000 0.433 232 L N 0.879 122.111 121.223 0.015 0.000 2.083 232 L HA -0.159 4.181 4.340 -0.001 0.000 0.209 232 L C 1.790 178.673 176.870 0.022 0.000 1.083 232 L CA 1.830 56.678 54.840 0.014 0.000 0.752 232 L CB -0.221 41.923 42.059 0.141 0.000 0.899 232 L HN 0.048 nan 8.230 nan 0.000 0.433 233 K N -0.669 119.765 120.400 0.057 0.000 2.026 233 K HA -0.123 4.196 4.320 -0.001 0.000 0.208 233 K C 2.056 178.674 176.600 0.029 0.000 1.048 233 K CA 1.699 58.017 56.287 0.051 0.000 0.929 233 K CB -0.355 32.186 32.500 0.068 0.000 0.713 233 K HN 0.330 nan 8.250 nan 0.000 0.439 234 L N 0.859 122.097 121.223 0.025 0.000 2.127 234 L HA -0.198 4.141 4.340 -0.001 0.000 0.211 234 L C 2.321 179.203 176.870 0.019 0.000 1.089 234 L CA 1.104 55.981 54.840 0.062 0.000 0.757 234 L CB -0.455 41.681 42.059 0.130 0.000 0.899 234 L HN 0.206 nan 8.230 nan 0.000 0.434 235 I N -0.332 120.103 120.570 -0.225 0.000 2.193 235 I HA -0.265 3.904 4.170 -0.001 0.000 0.240 235 I C 2.286 178.377 176.117 -0.043 0.000 1.084 235 I CA 1.240 62.270 61.300 -0.451 0.000 1.365 235 I CB -0.179 37.495 38.000 -0.544 0.000 1.064 235 I HN 0.201 nan 8.210 nan 0.000 0.410 236 L N 0.354 121.582 121.223 0.009 0.000 2.362 236 L HA -0.130 4.209 4.340 -0.001 0.000 0.219 236 L C 2.619 179.538 176.870 0.082 0.000 1.134 236 L CA 0.746 55.630 54.840 0.074 0.000 0.807 236 L CB -0.602 41.494 42.059 0.062 0.000 0.927 236 L HN 0.250 nan 8.230 nan 0.000 0.447 237 R N 0.918 121.460 120.500 0.071 0.000 2.073 237 R HA -0.167 4.172 4.340 -0.001 0.000 0.229 237 R C 2.236 178.594 176.300 0.097 0.000 1.120 237 R CA 1.278 57.420 56.100 0.070 0.000 0.967 237 R CB -0.239 30.094 30.300 0.055 0.000 0.862 237 R HN 0.226 nan 8.270 nan 0.000 0.436 238 L N 0.278 121.584 121.223 0.138 0.000 2.068 238 L HA -0.003 4.336 4.340 -0.001 0.000 0.204 238 L C 1.811 178.842 176.870 0.267 0.000 1.076 238 L CA 1.508 56.441 54.840 0.155 0.000 0.753 238 L CB 0.078 42.246 42.059 0.181 0.000 0.910 238 L HN 0.205 nan 8.230 nan 0.000 0.439 239 V N -2.330 117.760 119.914 0.294 0.000 3.647 239 V HA 0.582 4.701 4.120 -0.001 0.000 0.279 239 V C 0.896 177.122 176.094 0.220 0.000 1.314 239 V CA 0.032 62.532 62.300 0.333 0.000 1.125 239 V CB -1.246 30.817 31.823 0.402 0.000 0.907 239 V HN 0.620 nan 8.190 nan 0.000 0.434 240 G N 1.167 110.065 108.800 0.163 0.000 2.733 240 G HA2 -0.074 3.886 3.960 -0.001 0.000 0.686 240 G HA3 -0.074 3.886 3.960 -0.001 0.000 0.686 240 G C -0.233 174.721 174.900 0.090 0.000 1.373 240 G CA -0.307 44.859 45.100 0.109 0.000 0.838 240 G HN 1.270 nan 8.290 nan 0.000 0.588 241 T N 0.451 115.035 114.554 0.050 0.000 2.860 241 T HA 0.580 4.929 4.350 -0.001 0.000 0.299 241 T C -1.926 172.783 174.700 0.015 0.000 1.045 241 T CA -0.697 61.416 62.100 0.022 0.000 1.071 241 T CB 1.072 69.931 68.868 -0.015 0.000 0.985 241 T HN 0.556 nan 8.240 nan 0.000 0.537 242 P HA 0.303 nan 4.420 nan 0.000 0.267 242 P C 0.521 177.796 177.300 -0.041 0.000 1.200 242 P CA -0.035 63.040 63.100 -0.041 0.000 0.772 242 P CB 0.148 31.763 31.700 -0.143 0.000 0.855 243 G N 0.736 109.522 108.800 -0.024 0.000 2.537 243 G HA2 0.405 4.365 3.960 -0.001 0.000 0.297 243 G HA3 0.405 4.365 3.960 -0.001 0.000 0.297 243 G C 0.976 175.852 174.900 -0.040 0.000 1.310 243 G CA -0.063 45.024 45.100 -0.022 0.000 1.027 243 G HN 0.467 nan 8.290 nan 0.000 0.505 244 A N -0.843 121.957 122.820 -0.033 0.000 1.930 244 A HA -0.001 4.318 4.320 -0.001 0.000 0.217 244 A C 2.029 179.591 177.584 -0.037 0.000 1.175 244 A CA 1.974 53.987 52.037 -0.040 0.000 0.627 244 A CB -0.473 18.509 19.000 -0.029 0.000 0.815 244 A HN 0.735 nan 8.150 nan 0.000 0.443 245 E N -0.769 119.418 120.200 -0.022 0.000 2.085 245 E HA -0.204 4.145 4.350 -0.001 0.000 0.194 245 E C 1.926 178.513 176.600 -0.021 0.000 0.994 245 E CA 1.277 57.669 56.400 -0.014 0.000 0.801 245 E CB -0.247 29.453 29.700 0.001 0.000 0.743 245 E HN 0.483 nan 8.360 nan 0.000 0.453 246 L N 0.940 122.147 121.223 -0.028 0.000 2.027 246 L HA -0.138 4.202 4.340 -0.001 0.000 0.206 246 L C 2.093 178.902 176.870 -0.103 0.000 1.074 246 L CA 1.436 56.251 54.840 -0.042 0.000 0.745 246 L CB -0.473 41.565 42.059 -0.035 0.000 0.898 246 L HN 0.136 nan 8.230 nan 0.000 0.433 247 L N -0.561 120.585 121.223 -0.129 0.000 2.051 247 L HA -0.328 4.012 4.340 -0.001 0.000 0.214 247 L C 2.593 179.388 176.870 -0.125 0.000 1.076 247 L CA 1.785 56.524 54.840 -0.168 0.000 0.758 247 L CB -0.565 41.411 42.059 -0.138 0.000 0.890 247 L HN 0.316 nan 8.230 nan 0.000 0.433 248 K N 0.115 120.469 120.400 -0.077 0.000 1.985 248 K HA -0.197 4.123 4.320 -0.001 0.000 0.210 248 K C 1.990 178.563 176.600 -0.044 0.000 1.047 248 K CA 1.426 57.682 56.287 -0.052 0.000 0.932 248 K CB -0.257 32.224 32.500 -0.031 0.000 0.716 248 K HN 0.243 nan 8.250 nan 0.000 0.439 249 K N 0.868 121.250 120.400 -0.030 0.000 2.293 249 K HA -0.126 4.193 4.320 -0.001 0.000 0.204 249 K C 0.650 177.251 176.600 0.003 0.000 1.045 249 K CA 0.793 57.079 56.287 -0.002 0.000 0.933 249 K CB -0.395 32.118 32.500 0.022 0.000 0.736 249 K HN 0.209 nan 8.250 nan 0.000 0.463 250 I N 2.036 122.575 120.570 -0.052 0.000 2.347 250 I HA -0.061 4.108 4.170 -0.001 0.000 0.294 250 I C 1.086 177.185 176.117 -0.030 0.000 1.090 250 I CA -0.239 61.026 61.300 -0.058 0.000 1.314 250 I CB 1.298 39.134 38.000 -0.274 0.000 1.423 250 I HN 0.087 nan 8.210 nan 0.000 0.503 251 S N 2.970 118.684 115.700 0.023 0.000 2.356 251 S HA -0.161 4.308 4.470 -0.001 0.000 0.223 251 S C 1.276 175.885 174.600 0.015 0.000 1.032 251 S CA 0.540 58.752 58.200 0.020 0.000 1.005 251 S CB -0.183 63.040 63.200 0.038 0.000 0.867 251 S HN 0.713 nan 8.310 nan 0.000 0.449 252 S N 2.359 118.082 115.700 0.037 0.000 2.973 252 S HA -0.056 4.413 4.470 -0.001 0.000 0.357 252 S C 1.324 175.929 174.600 0.009 0.000 1.159 252 S CA -0.242 57.982 58.200 0.041 0.000 1.423 252 S CB -0.173 63.087 63.200 0.099 0.000 1.115 252 S HN 0.294 nan 8.310 nan 0.000 0.563 253 E N 3.510 123.713 120.200 0.004 0.000 2.097 253 E HA -0.156 4.193 4.350 -0.001 0.000 0.196 253 E C 2.066 178.667 176.600 0.002 0.000 1.000 253 E CA 1.878 58.275 56.400 -0.006 0.000 0.804 253 E CB -0.321 29.378 29.700 -0.002 0.000 0.740 253 E HN 0.900 nan 8.360 nan 0.000 0.454 254 S N 0.421 116.134 115.700 0.020 0.000 2.357 254 S HA -0.023 4.447 4.470 -0.001 0.000 0.221 254 S C 2.291 176.936 174.600 0.074 0.000 1.031 254 S CA 1.101 59.324 58.200 0.039 0.000 0.982 254 S CB -0.392 62.828 63.200 0.033 0.000 0.853 254 S HN 0.326 nan 8.310 nan 0.000 0.458 255 A N 2.513 125.381 122.820 0.081 0.000 1.902 255 A HA -0.070 4.249 4.320 -0.001 0.000 0.217 255 A C 2.317 179.895 177.584 -0.009 0.000 1.181 255 A CA 1.625 53.739 52.037 0.129 0.000 0.623 255 A CB -0.761 18.362 19.000 0.205 0.000 0.818 255 A HN 0.539 nan 8.150 nan 0.000 0.443 256 R N -0.370 120.068 120.500 -0.104 0.000 2.096 256 R HA -0.160 4.179 4.340 -0.001 0.000 0.235 256 R C 2.160 178.395 176.300 -0.107 0.000 1.127 256 R CA 1.592 57.584 56.100 -0.181 0.000 0.968 256 R CB -0.303 29.908 30.300 -0.148 0.000 0.861 256 R HN 0.594 nan 8.270 nan 0.000 0.440 257 N N 0.022 118.703 118.700 -0.032 0.000 2.142 257 N HA -0.219 4.520 4.740 -0.001 0.000 0.186 257 N C 1.645 177.168 175.510 0.023 0.000 1.023 257 N CA 1.283 54.329 53.050 -0.007 0.000 0.852 257 N CB -0.305 38.194 38.487 0.021 0.000 0.998 257 N HN 0.280 nan 8.380 nan 0.000 0.424 258 Y N 1.797 122.073 120.300 -0.039 0.000 2.114 258 Y HA -0.106 4.443 4.550 -0.001 0.000 0.284 258 Y C 2.334 178.218 175.900 -0.026 0.000 1.143 258 Y CA 1.467 59.557 58.100 -0.016 0.000 1.135 258 Y CB -0.787 37.682 38.460 0.014 0.000 0.980 258 Y HN 0.012 nan 8.280 nan 0.000 0.499 259 I N 0.728 121.085 120.570 -0.356 0.000 2.113 259 I HA -0.433 3.736 4.170 -0.001 0.000 0.242 259 I C 2.193 178.115 176.117 -0.325 0.000 1.064 259 I CA 2.067 63.114 61.300 -0.421 0.000 1.320 259 I CB -0.693 37.117 38.000 -0.317 0.000 1.028 259 I HN 0.325 nan 8.210 nan 0.000 0.406 260 Q N 0.367 120.035 119.800 -0.220 0.000 2.615 260 Q HA -0.138 4.202 4.340 -0.001 0.000 0.220 260 Q C 1.874 177.790 176.000 -0.140 0.000 0.981 260 Q CA 1.286 56.997 55.803 -0.153 0.000 0.939 260 Q CB -0.310 28.363 28.738 -0.108 0.000 0.982 260 Q HN 0.679 nan 8.270 nan 0.000 0.550 261 S N -0.933 114.645 115.700 -0.202 0.000 2.502 261 S HA 0.138 4.608 4.470 -0.001 0.000 0.215 261 S C 0.689 175.200 174.600 -0.149 0.000 1.009 261 S CA -0.414 57.700 58.200 -0.143 0.000 0.908 261 S CB 0.136 63.278 63.200 -0.098 0.000 0.801 261 S HN 0.167 nan 8.310 nan 0.000 0.505 262 L N 3.081 124.173 121.223 -0.219 0.000 2.380 262 L HA 0.317 4.656 4.340 -0.001 0.000 0.273 262 L C 0.183 176.999 176.870 -0.090 0.000 1.138 262 L CA -0.473 54.273 54.840 -0.155 0.000 0.832 262 L CB 0.398 42.341 42.059 -0.193 0.000 1.124 262 L HN 0.045 nan 8.230 nan 0.000 0.454 263 T N 3.010 117.533 114.554 -0.052 0.000 2.934 263 T HA -0.011 4.338 4.350 -0.001 0.000 0.306 263 T C 0.292 174.973 174.700 -0.031 0.000 1.042 263 T CA -0.231 61.849 62.100 -0.034 0.000 1.145 263 T CB 0.153 69.011 68.868 -0.017 0.000 0.982 263 T HN 0.475 nan 8.240 nan 0.000 0.544 264 Q N 2.754 122.537 119.800 -0.028 0.000 2.330 264 Q HA 0.324 4.663 4.340 -0.001 0.000 0.279 264 Q C -0.232 175.765 176.000 -0.005 0.000 1.024 264 Q CA 0.470 56.261 55.803 -0.020 0.000 0.900 264 Q CB 0.448 29.174 28.738 -0.020 0.000 1.221 264 Q HN 0.591 nan 8.270 nan 0.000 0.396 265 M N 2.512 122.115 119.600 0.005 0.000 2.501 265 M HA 0.488 4.967 4.480 -0.001 0.000 0.293 265 M C -2.564 173.756 176.300 0.034 0.000 1.192 265 M CA -2.264 53.048 55.300 0.020 0.000 0.886 265 M CB 2.242 34.858 32.600 0.027 0.000 1.710 265 M HN 0.332 nan 8.290 nan 0.000 0.457 266 P HA 0.278 nan 4.420 nan 0.000 0.284 266 P C -1.380 175.967 177.300 0.078 0.000 1.258 266 P CA -0.758 62.372 63.100 0.050 0.000 0.824 266 P CB 0.724 32.447 31.700 0.039 0.000 1.038 267 K N 2.843 123.299 120.400 0.095 0.000 2.485 267 K HA 0.081 4.400 4.320 -0.001 0.000 0.277 267 K C -0.007 176.687 176.600 0.157 0.000 0.990 267 K CA 0.150 56.527 56.287 0.149 0.000 0.994 267 K CB 0.093 32.666 32.500 0.122 0.000 0.906 267 K HN 0.422 nan 8.250 nan 0.000 0.488 268 M N 2.399 122.135 119.600 0.226 0.000 2.159 268 M HA 0.071 4.551 4.480 -0.001 0.000 0.293 268 M C 0.626 177.087 176.300 0.270 0.000 1.186 268 M CA -0.457 54.953 55.300 0.185 0.000 1.073 268 M CB 0.608 33.278 32.600 0.116 0.000 1.419 268 M HN 0.623 nan 8.290 nan 0.000 0.490 269 N N 0.723 119.536 118.700 0.188 0.000 2.420 269 N HA 0.093 4.832 4.740 -0.001 0.000 0.249 269 N C -0.035 175.656 175.510 0.301 0.000 1.033 269 N CA -0.000 53.171 53.050 0.202 0.000 0.944 269 N CB 0.605 39.151 38.487 0.099 0.000 1.113 269 N HN 0.428 nan 8.380 nan 0.000 0.502 270 F N 2.576 122.553 119.950 0.043 0.000 2.216 270 F HA -0.059 4.468 4.527 -0.001 0.000 0.300 270 F C 2.378 178.240 175.800 0.103 0.000 1.085 270 F CA 0.776 58.837 58.000 0.102 0.000 1.326 270 F CB -0.909 38.219 39.000 0.213 0.000 1.027 270 F HN 0.646 nan 8.300 nan 0.000 0.497 271 A N -0.247 122.731 122.820 0.263 0.000 2.070 271 A HA -0.160 4.159 4.320 -0.001 0.000 0.220 271 A C 1.874 179.504 177.584 0.077 0.000 1.159 271 A CA 1.626 53.756 52.037 0.155 0.000 0.656 271 A CB -0.576 18.486 19.000 0.104 0.000 0.800 271 A HN 0.322 nan 8.150 nan 0.000 0.453 272 N N -0.807 117.920 118.700 0.045 0.000 2.280 272 N HA 0.099 4.838 4.740 -0.001 0.000 0.192 272 N C 1.166 176.609 175.510 -0.112 0.000 1.109 272 N CA 0.596 53.635 53.050 -0.018 0.000 0.855 272 N CB 0.717 39.199 38.487 -0.008 0.000 0.974 272 N HN 0.293 nan 8.380 nan 0.000 0.482 273 V N -0.423 119.363 119.914 -0.213 0.000 2.581 273 V HA 0.137 4.256 4.120 -0.001 0.000 0.240 273 V C 0.132 175.810 176.094 -0.692 0.000 1.054 273 V CA 0.762 62.742 62.300 -0.533 0.000 1.076 273 V CB -0.081 31.229 31.823 -0.856 0.000 0.748 273 V HN -0.009 nan 8.190 nan 0.000 0.474 274 F N 1.213 121.108 119.950 -0.091 0.000 2.560 274 F HA 0.477 5.003 4.527 -0.001 0.000 0.338 274 F C 0.167 175.941 175.800 -0.044 0.000 1.201 274 F CA -1.116 56.834 58.000 -0.082 0.000 1.291 274 F CB -0.854 38.093 39.000 -0.088 0.000 1.627 274 F HN -0.047 nan 8.300 nan 0.000 0.588 275 I N 1.677 122.256 120.570 0.016 0.000 2.821 275 I HA 0.163 4.332 4.170 -0.001 0.000 0.294 275 I C 1.444 177.588 176.117 0.046 0.000 1.210 275 I CA 0.851 62.164 61.300 0.023 0.000 1.430 275 I CB -0.293 37.700 38.000 -0.011 0.000 1.356 275 I HN 0.745 nan 8.210 nan 0.000 0.563 276 G N 3.810 112.637 108.800 0.045 0.000 2.205 276 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.261 276 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.261 276 G C 0.502 175.430 174.900 0.047 0.000 0.980 276 G CA 0.016 45.139 45.100 0.039 0.000 0.632 276 G HN 1.074 nan 8.290 nan 0.000 0.533 277 A N 0.095 122.955 122.820 0.067 0.000 2.386 277 A HA 0.549 4.869 4.320 -0.001 0.000 0.248 277 A C 0.750 178.354 177.584 0.034 0.000 1.082 277 A CA 0.462 52.528 52.037 0.048 0.000 0.789 277 A CB 0.248 19.278 19.000 0.049 0.000 1.025 277 A HN 0.985 nan 8.150 nan 0.000 0.490 278 N N 2.519 121.236 118.700 0.029 0.000 2.411 278 N HA 0.001 4.740 4.740 -0.001 0.000 0.265 278 N C -1.365 174.147 175.510 0.004 0.000 1.266 278 N CA -1.420 51.656 53.050 0.044 0.000 0.889 278 N CB 0.727 39.286 38.487 0.119 0.000 1.069 278 N HN 0.308 nan 8.380 nan 0.000 0.476 279 P HA -0.175 nan 4.420 nan 0.000 0.220 279 P C 1.483 178.780 177.300 -0.006 0.000 1.144 279 P CA 1.103 64.212 63.100 0.015 0.000 0.800 279 P CB 0.355 32.072 31.700 0.029 0.000 0.772 280 L N -0.797 120.432 121.223 0.010 0.000 2.109 280 L HA -0.073 4.267 4.340 -0.001 0.000 0.207 280 L C 2.758 179.459 176.870 -0.283 0.000 1.086 280 L CA 1.355 56.220 54.840 0.041 0.000 0.760 280 L CB -1.066 41.124 42.059 0.218 0.000 0.910 280 L HN -0.050 nan 8.230 nan 0.000 0.437 281 A N -0.290 122.191 122.820 -0.565 0.000 1.898 281 A HA -0.129 4.190 4.320 -0.001 0.000 0.216 281 A C 2.324 179.593 177.584 -0.525 0.000 1.181 281 A CA 1.523 52.969 52.037 -0.985 0.000 0.620 281 A CB -0.704 17.833 19.000 -0.771 0.000 0.819 281 A HN 0.180 nan 8.150 nan 0.000 0.442 282 V N 0.476 120.230 119.914 -0.267 0.000 2.295 282 V HA -0.260 3.859 4.120 -0.001 0.000 0.246 282 V C 2.341 178.392 176.094 -0.072 0.000 1.049 282 V CA 2.508 64.757 62.300 -0.085 0.000 1.024 282 V CB -0.782 31.076 31.823 0.059 0.000 0.648 282 V HN 0.754 nan 8.190 nan 0.000 0.447 283 D N -0.284 120.068 120.400 -0.082 0.000 2.117 283 D HA -0.200 4.439 4.640 -0.001 0.000 0.197 283 D C 1.965 178.204 176.300 -0.101 0.000 0.987 283 D CA 1.292 55.273 54.000 -0.033 0.000 0.829 283 D CB -0.126 40.732 40.800 0.097 0.000 0.961 283 D HN 0.270 nan 8.370 nan 0.000 0.460 284 L N 0.139 121.170 121.223 -0.321 0.000 2.046 284 L HA -0.019 4.320 4.340 -0.001 0.000 0.208 284 L C 2.124 178.837 176.870 -0.262 0.000 1.077 284 L CA 1.391 55.932 54.840 -0.498 0.000 0.747 284 L CB -0.491 41.074 42.059 -0.824 0.000 0.896 284 L HN 0.216 nan 8.230 nan 0.000 0.432 285 L N -0.796 120.283 121.223 -0.239 0.000 2.083 285 L HA -0.215 4.124 4.340 -0.001 0.000 0.209 285 L C 2.436 179.339 176.870 0.054 0.000 1.083 285 L CA 1.422 56.192 54.840 -0.117 0.000 0.752 285 L CB -0.456 41.489 42.059 -0.190 0.000 0.899 285 L HN 0.374 nan 8.230 nan 0.000 0.433 286 E N -0.388 119.777 120.200 -0.058 0.000 2.268 286 E HA -0.168 4.182 4.350 -0.001 0.000 0.195 286 E C 1.977 178.505 176.600 -0.120 0.000 0.995 286 E CA 0.561 56.779 56.400 -0.303 0.000 0.836 286 E CB 0.187 29.561 29.700 -0.543 0.000 0.763 286 E HN 0.366 nan 8.360 nan 0.000 0.491 287 K N 0.087 120.452 120.400 -0.059 0.000 2.186 287 K HA 0.050 4.369 4.320 -0.001 0.000 0.202 287 K C 2.005 178.629 176.600 0.040 0.000 1.052 287 K CA 0.706 56.994 56.287 0.003 0.000 0.965 287 K CB 0.025 32.540 32.500 0.026 0.000 0.746 287 K HN 0.215 nan 8.250 nan 0.000 0.457 288 M N 0.612 120.220 119.600 0.015 0.000 2.134 288 M HA -0.010 4.469 4.480 -0.001 0.000 0.262 288 M C 1.125 177.462 176.300 0.063 0.000 1.076 288 M CA 1.103 56.423 55.300 0.034 0.000 1.143 288 M CB -0.227 32.353 32.600 -0.033 0.000 1.346 288 M HN -0.086 nan 8.290 nan 0.000 0.421 289 L N 1.703 122.931 121.223 0.008 0.000 2.672 289 L HA 0.168 4.507 4.340 -0.001 0.000 0.238 289 L C -0.639 176.410 176.870 0.299 0.000 1.392 289 L CA -0.553 54.262 54.840 -0.042 0.000 1.238 289 L CB -0.762 41.227 42.059 -0.117 0.000 1.548 289 L HN -0.033 nan 8.230 nan 0.000 0.423 290 V N 0.876 121.019 119.914 0.382 0.000 2.483 290 V HA 0.111 4.231 4.120 -0.001 0.000 0.295 290 V C 0.983 177.349 176.094 0.453 0.000 1.035 290 V CA -0.500 62.007 62.300 0.345 0.000 0.896 290 V CB 2.460 34.407 31.823 0.206 0.000 0.986 290 V HN 0.367 nan 8.190 nan 0.000 0.447 291 L N 2.689 124.130 121.223 0.362 0.000 2.046 291 L HA 0.024 4.363 4.340 -0.001 0.000 0.208 291 L C 1.274 178.268 176.870 0.207 0.000 1.077 291 L CA 1.635 56.632 54.840 0.261 0.000 0.747 291 L CB -0.275 41.928 42.059 0.241 0.000 0.896 291 L HN 0.735 nan 8.230 nan 0.000 0.432 292 D N -1.289 119.222 120.400 0.185 0.000 2.344 292 D HA -0.002 4.637 4.640 -0.001 0.000 0.253 292 D C 1.407 177.797 176.300 0.149 0.000 1.255 292 D CA 0.637 54.727 54.000 0.151 0.000 0.894 292 D CB 1.127 41.993 40.800 0.111 0.000 1.067 292 D HN 0.299 nan 8.370 nan 0.000 0.492 293 S N 2.662 118.448 115.700 0.143 0.000 2.465 293 S HA -0.186 4.283 4.470 -0.001 0.000 0.241 293 S C 1.141 175.810 174.600 0.115 0.000 1.000 293 S CA 0.766 59.047 58.200 0.136 0.000 0.964 293 S CB 0.106 63.379 63.200 0.121 0.000 0.763 293 S HN 0.443 nan 8.310 nan 0.000 0.512 294 D N 1.691 122.151 120.400 0.100 0.000 2.277 294 D HA 0.060 4.699 4.640 -0.001 0.000 0.208 294 D C 1.408 177.756 176.300 0.080 0.000 0.962 294 D CA 0.861 54.909 54.000 0.080 0.000 0.865 294 D CB -0.012 40.827 40.800 0.065 0.000 0.939 294 D HN 0.605 nan 8.370 nan 0.000 0.510 295 K N 0.121 120.576 120.400 0.091 0.000 2.373 295 K HA 0.151 4.471 4.320 -0.001 0.000 0.202 295 K C 0.771 177.431 176.600 0.101 0.000 1.025 295 K CA -0.318 56.021 56.287 0.086 0.000 1.115 295 K CB 1.186 33.733 32.500 0.079 0.000 0.858 295 K HN -0.135 nan 8.250 nan 0.000 0.525 296 R N 2.071 122.644 120.500 0.123 0.000 2.389 296 R HA 0.197 4.536 4.340 -0.001 0.000 0.295 296 R C -0.099 176.273 176.300 0.121 0.000 1.075 296 R CA -0.231 55.954 56.100 0.143 0.000 1.005 296 R CB 0.453 30.865 30.300 0.187 0.000 0.987 296 R HN 0.115 nan 8.270 nan 0.000 0.452 297 I N 3.726 124.363 120.570 0.112 0.000 2.845 297 I HA -0.112 4.058 4.170 -0.001 0.000 0.296 297 I C 0.673 176.860 176.117 0.117 0.000 1.216 297 I CA 0.756 62.120 61.300 0.107 0.000 1.438 297 I CB 0.747 38.809 38.000 0.102 0.000 1.342 297 I HN 0.778 nan 8.210 nan 0.000 0.577 298 T N 3.791 118.413 114.554 0.114 0.000 2.862 298 T HA 0.495 4.845 4.350 -0.001 0.000 0.276 298 T C 1.031 175.803 174.700 0.120 0.000 0.974 298 T CA -0.160 62.017 62.100 0.129 0.000 0.966 298 T CB 1.616 70.556 68.868 0.120 0.000 1.072 298 T HN 0.701 nan 8.240 nan 0.000 0.538 299 A N 1.000 123.897 122.820 0.128 0.000 1.858 299 A HA 0.221 4.540 4.320 -0.001 0.000 0.216 299 A C 2.698 180.306 177.584 0.040 0.000 1.190 299 A CA 1.878 53.947 52.037 0.053 0.000 0.617 299 A CB -1.643 17.349 19.000 -0.013 0.000 0.827 299 A HN 1.318 nan 8.150 nan 0.000 0.443 300 A N -0.587 122.270 122.820 0.061 0.000 1.940 300 A HA -0.252 4.067 4.320 -0.001 0.000 0.219 300 A C 2.109 179.735 177.584 0.069 0.000 1.176 300 A CA 1.819 53.893 52.037 0.063 0.000 0.631 300 A CB -0.613 18.434 19.000 0.078 0.000 0.814 300 A HN 0.700 nan 8.150 nan 0.000 0.446 301 Q N -0.846 119.004 119.800 0.083 0.000 2.123 301 Q HA 0.013 4.353 4.340 -0.001 0.000 0.199 301 Q C 2.363 178.435 176.000 0.120 0.000 0.966 301 Q CA 1.125 56.983 55.803 0.092 0.000 0.845 301 Q CB -0.328 28.468 28.738 0.097 0.000 0.907 301 Q HN 0.682 nan 8.270 nan 0.000 0.439 302 A N 1.006 123.906 122.820 0.134 0.000 1.929 302 A HA -0.097 4.223 4.320 -0.001 0.000 0.216 302 A C 2.067 179.819 177.584 0.280 0.000 1.176 302 A CA 0.753 52.922 52.037 0.219 0.000 0.628 302 A CB -0.562 18.547 19.000 0.182 0.000 0.816 302 A HN 0.263 nan 8.150 nan 0.000 0.444 303 L N -0.753 120.532 121.223 0.103 0.000 2.081 303 L HA -0.223 4.116 4.340 -0.001 0.000 0.212 303 L C 2.695 179.498 176.870 -0.111 0.000 1.080 303 L CA 1.161 56.028 54.840 0.046 0.000 0.754 303 L CB -0.379 41.687 42.059 0.011 0.000 0.893 303 L HN 0.432 nan 8.230 nan 0.000 0.433 304 A N -2.259 120.445 122.820 -0.193 0.000 2.278 304 A HA -0.050 4.269 4.320 -0.001 0.000 0.212 304 A C 0.885 178.466 177.584 -0.005 0.000 1.213 304 A CA -0.111 51.722 52.037 -0.340 0.000 0.840 304 A CB -0.736 18.179 19.000 -0.142 0.000 0.866 304 A HN 0.325 nan 8.150 nan 0.000 0.489 305 H N -0.120 119.007 119.070 0.095 0.000 2.707 305 H HA 0.315 4.871 4.556 -0.001 0.000 0.359 305 H C 1.381 176.772 175.328 0.106 0.000 1.113 305 H CA 0.487 56.603 56.048 0.114 0.000 1.422 305 H CB 1.223 31.075 29.762 0.150 0.000 1.443 305 H HN 0.151 nan 8.280 nan 0.000 0.591 306 A N 4.897 127.622 122.820 -0.157 0.000 2.076 306 A HA -0.238 4.082 4.320 -0.001 0.000 0.220 306 A C 1.929 179.611 177.584 0.163 0.000 1.160 306 A CA 1.128 53.166 52.037 0.002 0.000 0.653 306 A CB -0.826 18.108 19.000 -0.109 0.000 0.801 306 A HN 0.835 nan 8.150 nan 0.000 0.455 307 Y N -0.486 119.928 120.300 0.190 0.000 2.274 307 Y HA -0.143 4.407 4.550 -0.001 0.000 0.290 307 Y C 0.988 176.720 175.900 -0.279 0.000 1.145 307 Y CA 1.261 59.266 58.100 -0.159 0.000 1.203 307 Y CB -0.279 37.886 38.460 -0.491 0.000 0.984 307 Y HN 0.303 nan 8.280 nan 0.000 0.533 308 F N -0.740 119.329 119.950 0.199 0.000 2.660 308 F HA 0.373 4.900 4.527 -0.001 0.000 0.302 308 F C 2.053 177.943 175.800 0.150 0.000 1.103 308 F CA 0.089 58.179 58.000 0.150 0.000 1.340 308 F CB -0.981 38.198 39.000 0.298 0.000 1.048 308 F HN 0.075 nan 8.300 nan 0.000 0.551 309 A N 0.084 123.026 122.820 0.203 0.000 1.958 309 A HA -0.310 4.009 4.320 -0.001 0.000 0.221 309 A C 2.284 179.897 177.584 0.049 0.000 1.178 309 A CA 2.090 54.218 52.037 0.150 0.000 0.642 309 A CB -0.721 18.324 19.000 0.075 0.000 0.816 309 A HN 0.484 nan 8.150 nan 0.000 0.453 310 Q N -2.374 117.395 119.800 -0.051 0.000 2.291 310 Q HA -0.170 4.170 4.340 -0.001 0.000 0.205 310 Q C 1.116 176.828 176.000 -0.480 0.000 0.970 310 Q CA 1.697 57.318 55.803 -0.304 0.000 0.876 310 Q CB -0.064 28.390 28.738 -0.474 0.000 0.935 310 Q HN 0.857 nan 8.270 nan 0.000 0.455 311 Y N -2.428 117.796 120.300 -0.126 0.000 2.526 311 Y HA 0.137 4.686 4.550 -0.001 0.000 0.265 311 Y C 0.566 176.228 175.900 -0.398 0.000 1.092 311 Y CA -0.435 57.444 58.100 -0.369 0.000 1.277 311 Y CB 0.038 38.070 38.460 -0.714 0.000 1.228 311 Y HN 0.131 nan 8.280 nan 0.000 0.507 312 H N 2.018 121.062 119.070 -0.043 0.000 3.016 312 H HA 0.156 4.711 4.556 -0.001 0.000 0.345 312 H C -0.695 174.711 175.328 0.131 0.000 1.066 312 H CA 0.506 56.655 56.048 0.169 0.000 1.390 312 H CB 0.381 30.297 29.762 0.256 0.000 1.344 312 H HN 0.153 nan 8.280 nan 0.000 0.605 313 D N 5.901 126.101 120.400 -0.333 0.000 2.296 313 D HA 0.073 4.713 4.640 -0.001 0.000 0.224 313 D C -2.206 173.977 176.300 -0.196 0.000 1.324 313 D CA -1.233 52.584 54.000 -0.305 0.000 0.940 313 D CB 1.173 41.946 40.800 -0.046 0.000 1.492 313 D HN 0.380 nan 8.370 nan 0.000 0.531 314 P HA -0.137 nan 4.420 nan 0.000 0.216 314 P C 0.564 177.892 177.300 0.047 0.000 1.150 314 P CA 1.042 64.151 63.100 0.014 0.000 0.843 314 P CB 0.539 32.256 31.700 0.028 0.000 0.787 315 D N -0.812 119.595 120.400 0.012 0.000 2.355 315 D HA -0.040 4.599 4.640 -0.001 0.000 0.218 315 D C 0.397 176.720 176.300 0.038 0.000 1.004 315 D CA 0.795 54.812 54.000 0.028 0.000 0.880 315 D CB -0.126 40.682 40.800 0.012 0.000 0.911 315 D HN 0.218 nan 8.370 nan 0.000 0.528 316 D N 0.577 121.008 120.400 0.052 0.000 2.957 316 D HA 0.102 4.741 4.640 -0.001 0.000 0.352 316 D C -0.731 175.629 176.300 0.100 0.000 1.352 316 D CA -0.141 53.896 54.000 0.061 0.000 0.831 316 D CB 0.007 40.842 40.800 0.058 0.000 1.147 316 D HN -0.097 nan 8.370 nan 0.000 0.467 317 E N 1.371 121.640 120.200 0.116 0.000 3.544 317 E HA 0.176 4.525 4.350 -0.001 0.000 0.264 317 E C -2.479 174.219 176.600 0.164 0.000 1.225 317 E CA -1.361 55.128 56.400 0.148 0.000 1.045 317 E CB 1.356 31.155 29.700 0.166 0.000 1.338 317 E HN 0.249 nan 8.360 nan 0.000 0.395 318 P HA -0.011 nan 4.420 nan 0.000 0.269 318 P C 0.194 177.688 177.300 0.323 0.000 1.215 318 P CA -0.129 63.100 63.100 0.215 0.000 0.780 318 P CB 1.102 32.910 31.700 0.179 0.000 0.898 319 V N -1.349 118.717 119.914 0.254 0.000 3.096 319 V HA 0.857 4.976 4.120 -0.001 0.000 0.319 319 V C 0.065 176.251 176.094 0.152 0.000 1.082 319 V CA -1.117 61.288 62.300 0.176 0.000 1.022 319 V CB 0.853 32.727 31.823 0.086 0.000 1.103 319 V HN 0.767 nan 8.190 nan 0.000 0.455 320 A N 0.786 123.482 122.820 -0.207 0.000 2.264 320 A HA 0.604 4.923 4.320 -0.001 0.000 0.304 320 A C -0.092 177.474 177.584 -0.029 0.000 1.100 320 A CA -0.669 51.169 52.037 -0.330 0.000 0.839 320 A CB 0.204 18.679 19.000 -0.875 0.000 1.121 320 A HN 0.957 nan 8.150 nan 0.000 0.496 321 D N 0.549 120.971 120.400 0.037 0.000 2.360 321 D HA 0.350 4.989 4.640 -0.001 0.000 0.242 321 D C -2.319 174.117 176.300 0.228 0.000 1.184 321 D CA -0.688 53.374 54.000 0.104 0.000 0.930 321 D CB -0.017 40.819 40.800 0.061 0.000 1.161 321 D HN 0.191 nan 8.370 nan 0.000 0.447 322 P HA -0.002 nan 4.420 nan 0.000 0.266 322 P C -0.859 176.582 177.300 0.234 0.000 1.195 322 P CA 0.240 63.432 63.100 0.153 0.000 0.768 322 P CB 0.166 31.923 31.700 0.094 0.000 0.838 323 Y N 2.574 122.827 120.300 -0.079 0.000 2.338 323 Y HA 0.274 4.824 4.550 -0.001 0.000 0.328 323 Y C -0.518 175.328 175.900 -0.090 0.000 0.965 323 Y CA -1.145 56.795 58.100 -0.266 0.000 1.208 323 Y CB 0.794 38.855 38.460 -0.664 0.000 1.132 323 Y HN 0.262 nan 8.280 nan 0.000 0.469 324 D N 5.900 126.081 120.400 -0.365 0.000 2.336 324 D HA 0.060 4.700 4.640 -0.001 0.000 0.249 324 D C -0.187 175.848 176.300 -0.441 0.000 1.213 324 D CA 0.091 53.930 54.000 -0.268 0.000 0.870 324 D CB 0.896 41.635 40.800 -0.101 0.000 1.076 324 D HN 0.867 nan 8.370 nan 0.000 0.483 325 Q N 1.596 121.206 119.800 -0.317 0.000 2.155 325 Q HA 0.108 4.447 4.340 -0.001 0.000 0.273 325 Q C 0.824 176.782 176.000 -0.070 0.000 0.857 325 Q CA -0.419 55.303 55.803 -0.135 0.000 1.116 325 Q CB 0.204 28.831 28.738 -0.184 0.000 1.209 325 Q HN 0.293 nan 8.270 nan 0.000 0.460 326 S N 0.656 116.370 115.700 0.023 0.000 2.442 326 S HA -0.200 4.269 4.470 -0.001 0.000 0.236 326 S C 1.607 176.244 174.600 0.061 0.000 1.007 326 S CA 0.863 59.072 58.200 0.014 0.000 0.965 326 S CB -0.885 62.337 63.200 0.036 0.000 0.773 326 S HN 0.641 nan 8.310 nan 0.000 0.504 327 F N 2.274 122.290 119.950 0.112 0.000 2.333 327 F HA 0.164 4.690 4.527 -0.001 0.000 0.300 327 F C 1.858 177.843 175.800 0.309 0.000 1.083 327 F CA 0.765 58.924 58.000 0.264 0.000 1.395 327 F CB -0.774 38.509 39.000 0.470 0.000 1.056 327 F HN 0.088 nan 8.300 nan 0.000 0.529 328 E N 0.851 120.525 120.200 -0.876 0.000 2.409 328 E HA -0.104 4.245 4.350 -0.001 0.000 0.198 328 E C 1.361 177.847 176.600 -0.190 0.000 1.024 328 E CA 1.124 57.142 56.400 -0.636 0.000 0.861 328 E CB -0.381 28.969 29.700 -0.584 0.000 0.788 328 E HN 0.633 nan 8.360 nan 0.000 0.521 329 S N -0.141 115.510 115.700 -0.081 0.000 2.741 329 S HA 0.348 4.817 4.470 -0.001 0.000 0.247 329 S C 0.308 174.942 174.600 0.057 0.000 1.050 329 S CA -0.644 57.551 58.200 -0.008 0.000 1.025 329 S CB 0.517 63.699 63.200 -0.031 0.000 0.897 329 S HN -0.074 nan 8.310 nan 0.000 0.508 330 R N 1.260 121.849 120.500 0.148 0.000 2.532 330 R HA 0.463 4.802 4.340 -0.001 0.000 0.295 330 R C -1.544 174.891 176.300 0.226 0.000 0.968 330 R CA -0.337 55.854 56.100 0.151 0.000 0.916 330 R CB 0.733 31.119 30.300 0.144 0.000 1.124 330 R HN 0.146 nan 8.270 nan 0.000 0.463 331 D N 4.606 125.063 120.400 0.096 0.000 2.392 331 D HA 0.320 4.959 4.640 -0.001 0.000 0.228 331 D C -0.517 175.761 176.300 -0.036 0.000 1.074 331 D CA -0.045 54.021 54.000 0.110 0.000 0.838 331 D CB 1.167 42.006 40.800 0.065 0.000 1.067 331 D HN 0.310 nan 8.370 nan 0.000 0.511 332 L N 1.250 122.428 121.223 -0.075 0.000 2.277 332 L HA 0.528 4.867 4.340 -0.001 0.000 0.254 332 L C -0.017 176.772 176.870 -0.135 0.000 1.044 332 L CA -1.043 53.571 54.840 -0.377 0.000 0.842 332 L CB 1.655 43.023 42.059 -1.151 0.000 1.422 332 L HN 0.038 nan 8.230 nan 0.000 0.422 333 L N 0.662 121.794 121.223 -0.152 0.000 2.454 333 L HA 0.327 4.666 4.340 -0.001 0.000 0.256 333 L C 1.292 178.210 176.870 0.080 0.000 1.136 333 L CA -0.348 54.491 54.840 -0.001 0.000 0.804 333 L CB 1.019 43.059 42.059 -0.031 0.000 1.181 333 L HN 0.551 nan 8.230 nan 0.000 0.469 334 I N 0.429 121.089 120.570 0.149 0.000 2.194 334 I HA -0.317 3.853 4.170 -0.001 0.000 0.246 334 I C 1.771 177.951 176.117 0.105 0.000 1.093 334 I CA 1.403 62.826 61.300 0.204 0.000 1.355 334 I CB -0.260 37.829 38.000 0.148 0.000 1.046 334 I HN 0.747 nan 8.210 nan 0.000 0.413 335 D N 0.710 121.118 120.400 0.013 0.000 2.149 335 D HA -0.208 4.431 4.640 -0.001 0.000 0.198 335 D C 1.924 178.175 176.300 -0.082 0.000 0.990 335 D CA 1.416 55.386 54.000 -0.050 0.000 0.839 335 D CB -0.278 40.490 40.800 -0.053 0.000 0.948 335 D HN 0.542 nan 8.370 nan 0.000 0.460 336 E N -0.129 119.996 120.200 -0.125 0.000 2.107 336 E HA -0.107 4.242 4.350 -0.001 0.000 0.191 336 E C 2.068 178.516 176.600 -0.254 0.000 0.982 336 E CA 0.505 56.766 56.400 -0.232 0.000 0.809 336 E CB -0.138 29.353 29.700 -0.349 0.000 0.756 336 E HN 0.404 nan 8.360 nan 0.000 0.459 337 W N 1.709 122.955 121.300 -0.091 0.000 2.388 337 W HA -0.082 4.577 4.660 -0.001 0.000 0.294 337 W C 2.440 178.912 176.519 -0.078 0.000 1.212 337 W CA 0.576 57.855 57.345 -0.110 0.000 1.271 337 W CB 0.111 29.590 29.460 0.032 0.000 1.126 337 W HN -0.016 nan 8.180 nan 0.000 0.535 338 K N 0.324 120.762 120.400 0.063 0.000 1.991 338 K HA -0.240 4.080 4.320 -0.001 0.000 0.212 338 K C 2.384 178.968 176.600 -0.027 0.000 1.049 338 K CA 1.927 58.040 56.287 -0.291 0.000 0.932 338 K CB -0.702 31.489 32.500 -0.515 0.000 0.717 338 K HN -0.045 nan 8.250 nan 0.000 0.441 339 S N 0.651 116.330 115.700 -0.035 0.000 2.374 339 S HA -0.152 4.317 4.470 -0.001 0.000 0.227 339 S C 1.955 176.592 174.600 0.062 0.000 1.037 339 S CA 1.352 59.559 58.200 0.011 0.000 1.024 339 S CB -0.333 62.842 63.200 -0.042 0.000 0.861 339 S HN 0.369 nan 8.310 nan 0.000 0.456 340 L N 0.547 121.768 121.223 -0.003 0.000 2.131 340 L HA -0.112 4.228 4.340 -0.001 0.000 0.210 340 L C 2.693 179.724 176.870 0.268 0.000 1.092 340 L CA 1.650 56.489 54.840 -0.001 0.000 0.759 340 L CB -1.105 40.723 42.059 -0.386 0.000 0.903 340 L HN 0.409 nan 8.230 nan 0.000 0.435 341 T N -1.324 113.455 114.554 0.374 0.000 2.701 341 T HA -0.253 4.096 4.350 -0.001 0.000 0.263 341 T C 1.694 176.592 174.700 0.330 0.000 1.040 341 T CA 1.348 63.775 62.100 0.544 0.000 1.147 341 T CB -0.423 68.883 68.868 0.730 0.000 0.865 341 T HN 0.262 nan 8.240 nan 0.000 0.426 342 Y N 2.510 122.804 120.300 -0.011 0.000 2.151 342 Y HA -0.225 4.325 4.550 -0.001 0.000 0.284 342 Y C 2.052 177.850 175.900 -0.171 0.000 1.166 342 Y CA 1.443 59.287 58.100 -0.426 0.000 1.163 342 Y CB -0.557 37.520 38.460 -0.639 0.000 0.974 342 Y HN 0.205 nan 8.280 nan 0.000 0.511 343 D N -0.224 120.156 120.400 -0.033 0.000 2.144 343 D HA -0.154 4.485 4.640 -0.001 0.000 0.199 343 D C 2.021 178.300 176.300 -0.036 0.000 0.984 343 D CA 1.315 55.268 54.000 -0.079 0.000 0.834 343 D CB -0.148 40.661 40.800 0.015 0.000 0.955 343 D HN 0.444 nan 8.370 nan 0.000 0.465 344 E N 0.559 120.798 120.200 0.066 0.000 2.110 344 E HA -0.089 4.260 4.350 -0.001 0.000 0.193 344 E C 2.442 179.086 176.600 0.074 0.000 0.988 344 E CA 0.249 56.704 56.400 0.093 0.000 0.804 344 E CB -0.215 29.564 29.700 0.131 0.000 0.745 344 E HN 0.163 nan 8.360 nan 0.000 0.458 345 V N 2.384 122.307 119.914 0.017 0.000 2.223 345 V HA -0.256 3.864 4.120 -0.001 0.000 0.244 345 V C 2.567 178.659 176.094 -0.004 0.000 1.045 345 V CA 2.031 64.337 62.300 0.011 0.000 1.000 345 V CB -0.765 31.048 31.823 -0.017 0.000 0.635 345 V HN 0.321 nan 8.190 nan 0.000 0.445 346 I N 0.505 120.960 120.570 -0.192 0.000 2.567 346 I HA -0.117 4.052 4.170 -0.001 0.000 0.257 346 I C 2.116 178.213 176.117 -0.034 0.000 1.184 346 I CA 1.863 63.069 61.300 -0.157 0.000 1.451 346 I CB -0.648 37.131 38.000 -0.369 0.000 1.089 346 I HN 0.390 nan 8.210 nan 0.000 0.441 347 S N 0.294 115.989 115.700 -0.007 0.000 2.634 347 S HA 0.130 4.599 4.470 -0.001 0.000 0.221 347 S C 0.417 175.063 174.600 0.076 0.000 0.952 347 S CA -0.750 57.463 58.200 0.023 0.000 0.930 347 S CB -0.927 62.279 63.200 0.010 0.000 0.780 347 S HN 0.425 nan 8.310 nan 0.000 0.498 348 F N 2.556 122.503 119.950 -0.005 0.000 2.495 348 F HA 0.501 5.027 4.527 -0.001 0.000 0.365 348 F C -0.475 175.337 175.800 0.021 0.000 1.090 348 F CA -0.570 57.441 58.000 0.019 0.000 1.235 348 F CB 0.934 39.959 39.000 0.042 0.000 1.119 348 F HN -0.030 nan 8.300 nan 0.000 0.562 349 V N 7.996 127.402 119.914 -0.846 0.000 2.350 349 V HA 0.312 4.431 4.120 -0.001 0.000 0.285 349 V C -2.076 173.457 176.094 -0.935 0.000 1.014 349 V CA -1.852 60.067 62.300 -0.636 0.000 0.831 349 V CB 0.975 32.610 31.823 -0.314 0.000 1.000 349 V HN 0.686 nan 8.190 nan 0.000 0.433 350 P HA 0.186 nan 4.420 nan 0.000 0.267 350 P C -2.008 175.197 177.300 -0.159 0.000 1.200 350 P CA -0.542 62.411 63.100 -0.244 0.000 0.772 350 P CB -0.125 31.606 31.700 0.051 0.000 0.855 351 P HA 0.000 nan 4.420 nan 0.000 0.216 351 P CA 0.000 63.086 63.100 -0.024 0.000 0.800 351 P CB 0.000 31.724 31.700 0.039 0.000 0.726