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 1qii_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNCQQYVDE QFPGFSGSEM WNPNREMSED CLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE CNLNSDEELI HCLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVICP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMCVF WNQFLPKLLN AT 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 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.646 174.600 0.077 0.000 1.055 4 S CA 0.000 58.230 58.200 0.050 0.000 1.107 4 S CB 0.000 63.228 63.200 0.046 0.000 0.593 5 E N 2.525 122.773 120.200 0.081 0.000 2.204 5 E HA 0.002 4.352 4.350 -0.001 0.000 0.194 5 E C 1.056 177.767 176.600 0.185 0.000 0.989 5 E CA 1.075 57.548 56.400 0.121 0.000 0.824 5 E CB -0.047 29.713 29.700 0.101 0.000 0.756 5 E HN 0.727 nan 8.360 nan 0.000 0.477 6 L N 0.890 122.186 121.223 0.123 0.000 2.592 6 L HA 0.158 4.498 4.340 -0.001 0.000 0.227 6 L C 0.263 177.276 176.870 0.238 0.000 1.127 6 L CA -0.368 54.525 54.840 0.089 0.000 0.884 6 L CB 0.290 42.318 42.059 -0.052 0.000 1.065 6 L HN 0.135 nan 8.230 nan 0.000 0.457 7 L N 0.712 122.073 121.223 0.231 0.000 2.296 7 L HA 0.568 4.907 4.340 -0.001 0.000 0.286 7 L C -0.611 176.367 176.870 0.181 0.000 1.023 7 L CA -0.269 54.705 54.840 0.223 0.000 0.812 7 L CB 1.636 43.768 42.059 0.123 0.000 1.223 7 L HN -0.318 nan 8.230 nan 0.000 0.421 8 V N 4.255 124.260 119.914 0.152 0.000 2.709 8 V HA 0.468 4.588 4.120 -0.001 0.000 0.308 8 V C -0.813 175.209 176.094 -0.120 0.000 1.062 8 V CA -0.812 61.415 62.300 -0.122 0.000 0.901 8 V CB 2.114 33.591 31.823 -0.578 0.000 1.003 8 V HN 0.790 nan 8.190 nan 0.000 0.425 9 N N 2.637 121.196 118.700 -0.234 0.000 2.546 9 N HA 0.482 5.222 4.740 -0.001 0.000 0.238 9 N C -0.137 175.069 175.510 -0.506 0.000 0.984 9 N CA -0.170 52.720 53.050 -0.267 0.000 0.935 9 N CB 1.329 39.663 38.487 -0.255 0.000 1.122 9 N HN 0.912 nan 8.380 nan 0.000 0.510 10 T N 0.142 114.497 114.554 -0.332 0.000 2.884 10 T HA 0.328 4.678 4.350 -0.001 0.000 0.277 10 T C 0.998 175.462 174.700 -0.394 0.000 0.976 10 T CA -0.504 61.378 62.100 -0.363 0.000 0.956 10 T CB 0.960 69.842 68.868 0.023 0.000 1.113 10 T HN 0.381 nan 8.240 nan 0.000 0.554 11 K N 0.117 120.332 120.400 -0.310 0.000 2.504 11 K HA 0.073 4.393 4.320 -0.001 0.000 0.195 11 K C 1.682 178.149 176.600 -0.223 0.000 1.036 11 K CA 0.429 56.574 56.287 -0.237 0.000 0.984 11 K CB -0.002 32.422 32.500 -0.128 0.000 0.788 11 K HN 0.394 nan 8.250 nan 0.000 0.488 12 S N -0.334 115.215 115.700 -0.252 0.000 2.512 12 S HA 0.214 4.684 4.470 -0.001 0.000 0.216 12 S C 0.396 174.282 174.600 -1.189 0.000 1.006 12 S CA 0.207 58.128 58.200 -0.465 0.000 0.915 12 S CB 1.124 64.247 63.200 -0.129 0.000 0.824 12 S HN 0.548 nan 8.310 nan 0.000 0.497 13 G N 1.128 109.423 108.800 -0.841 0.000 2.369 13 G HA2 0.113 4.073 3.960 -0.001 0.000 0.307 13 G HA3 0.113 4.073 3.960 -0.001 0.000 0.307 13 G C -1.830 172.977 174.900 -0.155 0.000 1.327 13 G CA -1.097 43.497 45.100 -0.843 0.000 0.963 13 G HN 0.063 nan 8.290 nan 0.000 0.590 14 K N -0.637 119.854 120.400 0.153 0.000 2.185 14 K HA 0.624 4.943 4.320 -0.001 0.000 0.271 14 K C -0.551 176.395 176.600 0.576 0.000 1.013 14 K CA -0.503 55.956 56.287 0.285 0.000 0.943 14 K CB 1.996 34.620 32.500 0.207 0.000 0.998 14 K HN 0.341 nan 8.250 nan 0.000 0.468 15 V N 3.134 123.324 119.914 0.460 0.000 2.638 15 V HA 0.281 4.401 4.120 -0.001 0.000 0.306 15 V C -0.884 175.510 176.094 0.500 0.000 1.052 15 V CA -0.892 61.749 62.300 0.568 0.000 0.885 15 V CB 1.766 33.978 31.823 0.649 0.000 0.999 15 V HN 0.733 nan 8.190 nan 0.000 0.424 16 M N 4.509 124.356 119.600 0.412 0.000 2.044 16 M HA 0.722 5.201 4.480 -0.001 0.000 0.333 16 M C 0.295 176.671 176.300 0.126 0.000 1.004 16 M CA 0.147 55.598 55.300 0.251 0.000 0.954 16 M CB 0.826 33.505 32.600 0.133 0.000 1.468 16 M HN 0.742 nan 8.290 nan 0.000 0.414 17 G N 1.680 110.412 108.800 -0.113 0.000 2.510 17 G HA2 0.603 4.563 3.960 -0.001 0.000 0.280 17 G HA3 0.603 4.563 3.960 -0.001 0.000 0.280 17 G C -0.972 173.707 174.900 -0.369 0.000 1.386 17 G CA -0.316 44.417 45.100 -0.611 0.000 1.047 17 G HN 0.652 nan 8.290 nan 0.000 0.527 18 T N -1.906 112.410 114.554 -0.397 0.000 2.916 18 T HA 0.511 4.860 4.350 -0.001 0.000 0.305 18 T C -0.490 174.100 174.700 -0.182 0.000 1.119 18 T CA -0.723 61.242 62.100 -0.224 0.000 1.008 18 T CB 1.511 70.277 68.868 -0.170 0.000 1.129 18 T HN 0.702 nan 8.240 nan 0.000 0.480 19 R N 2.774 123.208 120.500 -0.110 0.000 2.390 19 R HA 0.655 4.994 4.340 -0.001 0.000 0.291 19 R C -0.520 175.784 176.300 0.007 0.000 1.070 19 R CA -0.449 55.621 56.100 -0.049 0.000 1.014 19 R CB 0.484 30.738 30.300 -0.077 0.000 1.007 19 R HN 0.560 nan 8.270 nan 0.000 0.466 20 V N 1.799 121.763 119.914 0.084 0.000 2.789 20 V HA 0.687 4.806 4.120 -0.001 0.000 0.311 20 V C -2.633 173.542 176.094 0.134 0.000 1.073 20 V CA -2.653 59.704 62.300 0.095 0.000 0.921 20 V CB 1.830 33.685 31.823 0.053 0.000 1.009 20 V HN 0.835 nan 8.190 nan 0.000 0.426 21 P HA 0.459 nan 4.420 nan 0.000 0.279 21 P C -0.957 176.178 177.300 -0.274 0.000 1.239 21 P CA -0.177 62.777 63.100 -0.243 0.000 0.789 21 P CB 2.035 33.634 31.700 -0.169 0.000 0.933 22 V N 5.589 125.255 119.914 -0.414 0.000 2.752 22 V HA 0.171 4.291 4.120 -0.001 0.000 0.302 22 V C 0.187 175.997 176.094 -0.474 0.000 1.133 22 V CA -0.936 61.122 62.300 -0.403 0.000 0.919 22 V CB 1.247 32.792 31.823 -0.463 0.000 1.026 22 V HN 0.500 nan 8.190 nan 0.000 0.429 23 L N 5.998 127.095 121.223 -0.210 0.000 3.954 23 L HA -0.202 4.138 4.340 -0.001 0.000 0.462 23 L C 0.895 177.651 176.870 -0.190 0.000 1.195 23 L CA 1.038 55.796 54.840 -0.137 0.000 0.739 23 L CB -1.574 40.463 42.059 -0.036 0.000 1.599 23 L HN 1.562 nan 8.230 nan 0.000 0.838 24 S N -2.304 113.275 115.700 -0.201 0.000 3.608 24 S HA -0.155 4.314 4.470 -0.001 0.000 0.382 24 S C 0.043 174.505 174.600 -0.228 0.000 0.945 24 S CA 1.013 59.103 58.200 -0.182 0.000 1.256 24 S CB -1.138 62.014 63.200 -0.079 0.000 0.913 24 S HN 1.067 nan 8.310 nan 0.000 0.518 25 S N 0.013 115.453 115.700 -0.434 0.000 2.761 25 S HA 0.766 5.236 4.470 -0.001 0.000 0.290 25 S C -1.646 172.539 174.600 -0.692 0.000 1.222 25 S CA -0.434 57.534 58.200 -0.385 0.000 0.954 25 S CB 0.773 63.803 63.200 -0.284 0.000 1.281 25 S HN 0.936 nan 8.310 nan 0.000 0.527 26 H N -0.637 118.373 119.070 -0.101 0.000 3.016 26 H HA 0.783 5.339 4.556 -0.001 0.000 0.362 26 H C -0.846 174.501 175.328 0.031 0.000 1.233 26 H CA -0.177 55.838 56.048 -0.055 0.000 1.124 26 H CB 1.496 31.249 29.762 -0.014 0.000 1.850 26 H HN 0.724 nan 8.280 nan 0.000 0.549 27 I N -2.413 118.270 120.570 0.188 0.000 3.195 27 I HA 0.687 4.857 4.170 -0.001 0.000 0.313 27 I C -0.941 175.284 176.117 0.180 0.000 1.237 27 I CA -0.706 60.721 61.300 0.211 0.000 0.963 27 I CB 2.206 40.356 38.000 0.250 0.000 1.278 27 I HN 0.411 nan 8.210 nan 0.000 0.460 28 S N 1.250 117.068 115.700 0.196 0.000 2.617 28 S HA 0.913 5.382 4.470 -0.001 0.000 0.283 28 S C -0.352 174.299 174.600 0.086 0.000 1.189 28 S CA -0.271 57.987 58.200 0.098 0.000 1.036 28 S CB 1.419 64.723 63.200 0.174 0.000 1.014 28 S HN 1.017 nan 8.310 nan 0.000 0.522 29 A N 1.867 124.581 122.820 -0.177 0.000 2.381 29 A HA 0.752 5.072 4.320 -0.001 0.000 0.299 29 A C -1.497 175.814 177.584 -0.454 0.000 1.049 29 A CA -0.615 51.251 52.037 -0.286 0.000 0.715 29 A CB 0.541 19.373 19.000 -0.280 0.000 1.222 29 A HN 0.630 nan 8.150 nan 0.000 0.428 30 F N 2.866 122.694 119.950 -0.203 0.000 2.359 30 F HA 0.474 5.001 4.527 -0.000 0.000 0.369 30 F C -0.115 175.580 175.800 -0.175 0.000 1.084 30 F CA -0.377 57.586 58.000 -0.062 0.000 1.096 30 F CB 1.289 40.354 39.000 0.108 0.000 1.335 30 F HN 0.375 nan 8.300 nan 0.000 0.457 31 L N 2.238 123.429 121.223 -0.053 0.000 2.322 31 L HA 0.672 5.012 4.340 -0.001 0.000 0.279 31 L C 0.987 177.899 176.870 0.070 0.000 1.036 31 L CA -0.939 53.866 54.840 -0.057 0.000 0.807 31 L CB 1.469 43.427 42.059 -0.168 0.000 1.226 31 L HN 0.825 nan 8.230 nan 0.000 0.433 32 G N 3.167 112.023 108.800 0.093 0.000 2.272 32 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.280 32 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.280 32 G C -0.119 174.857 174.900 0.126 0.000 1.067 32 G CA -0.330 44.817 45.100 0.078 0.000 0.902 32 G HN 0.487 nan 8.290 nan 0.000 0.500 33 I N 1.974 122.552 120.570 0.013 0.000 2.416 33 I HA 0.246 4.416 4.170 -0.001 0.000 0.288 33 I C -1.357 174.555 176.117 -0.341 0.000 1.051 33 I CA -2.123 59.016 61.300 -0.270 0.000 1.375 33 I CB 1.137 38.985 38.000 -0.253 0.000 1.407 33 I HN 0.010 nan 8.210 nan 0.000 0.516 34 P HA 0.101 nan 4.420 nan 0.000 0.279 34 P C -0.402 176.523 177.300 -0.624 0.000 1.239 34 P CA -0.095 62.568 63.100 -0.729 0.000 0.789 34 P CB 0.838 32.032 31.700 -0.844 0.000 0.933 35 F N 0.108 119.732 119.950 -0.544 0.000 2.798 35 F HA 0.753 5.280 4.527 -0.001 0.000 0.328 35 F C -0.128 175.553 175.800 -0.199 0.000 1.098 35 F CA -1.021 56.712 58.000 -0.445 0.000 1.172 35 F CB -0.003 38.728 39.000 -0.448 0.000 1.072 35 F HN 0.387 nan 8.300 nan 0.000 0.555 36 A N -0.012 122.561 122.820 -0.412 0.000 2.606 36 A HA 0.594 4.914 4.320 -0.001 0.000 0.293 36 A C -0.930 176.489 177.584 -0.275 0.000 1.082 36 A CA -0.779 51.133 52.037 -0.210 0.000 0.685 36 A CB 1.071 19.972 19.000 -0.166 0.000 1.284 36 A HN 0.058 nan 8.150 nan 0.000 0.408 37 E N 0.837 120.957 120.200 -0.133 0.000 2.383 37 E HA 0.271 4.620 4.350 -0.001 0.000 0.264 37 E C -2.336 174.171 176.600 -0.155 0.000 1.050 37 E CA -1.358 54.975 56.400 -0.111 0.000 0.896 37 E CB 0.140 29.817 29.700 -0.039 0.000 0.982 37 E HN 0.238 nan 8.360 nan 0.000 0.424 38 P HA 0.010 nan 4.420 nan 0.000 0.261 38 P C -2.140 175.098 177.300 -0.103 0.000 1.203 38 P CA -0.669 62.352 63.100 -0.132 0.000 0.767 38 P CB 0.003 31.662 31.700 -0.069 0.000 0.785 39 P HA -0.020 nan 4.420 nan 0.000 0.238 39 P C -0.052 177.184 177.300 -0.107 0.000 1.714 39 P CA 0.183 63.226 63.100 -0.095 0.000 0.908 39 P CB -0.182 31.463 31.700 -0.092 0.000 1.893 40 V N -3.008 116.851 119.914 -0.092 0.000 3.302 40 V HA 0.827 4.947 4.120 -0.001 0.000 0.316 40 V C 1.310 177.355 176.094 -0.082 0.000 1.111 40 V CA 0.050 62.293 62.300 -0.096 0.000 1.029 40 V CB 0.195 31.971 31.823 -0.077 0.000 1.170 40 V HN 0.481 nan 8.190 nan 0.000 0.452 41 G N 0.928 109.679 108.800 -0.081 0.000 2.672 41 G HA2 -0.430 3.530 3.960 -0.001 0.000 0.324 41 G HA3 -0.430 3.530 3.960 -0.001 0.000 0.324 41 G C 0.680 175.537 174.900 -0.071 0.000 1.286 41 G CA 1.289 46.350 45.100 -0.066 0.000 1.004 41 G HN 1.067 nan 8.290 nan 0.000 0.548 42 N N 0.309 118.985 118.700 -0.040 0.000 2.519 42 N HA 0.083 4.822 4.740 -0.001 0.000 0.186 42 N C 2.316 177.814 175.510 -0.020 0.000 1.062 42 N CA 1.347 54.384 53.050 -0.020 0.000 0.910 42 N CB -0.139 38.350 38.487 0.003 0.000 0.958 42 N HN 0.517 nan 8.380 nan 0.000 0.445 43 M N -0.421 119.155 119.600 -0.039 0.000 2.558 43 M HA 0.015 4.495 4.480 -0.001 0.000 0.255 43 M C 0.584 176.843 176.300 -0.067 0.000 1.113 43 M CA 0.026 55.304 55.300 -0.036 0.000 1.097 43 M CB 0.203 32.780 32.600 -0.038 0.000 1.426 43 M HN 0.018 nan 8.290 nan 0.000 0.488 44 R N 0.628 121.040 120.500 -0.147 0.000 2.585 44 R HA -0.108 4.231 4.340 -0.001 0.000 0.275 44 R C -0.297 175.843 176.300 -0.267 0.000 1.018 44 R CA 0.692 56.593 56.100 -0.332 0.000 1.072 44 R CB 0.190 30.153 30.300 -0.561 0.000 0.953 44 R HN 0.235 nan 8.270 nan 0.000 0.419 45 F N -1.014 118.945 119.950 0.015 0.000 2.590 45 F HA -0.315 4.212 4.527 -0.001 0.000 0.471 45 F C 0.803 176.589 175.800 -0.023 0.000 0.551 45 F CA 1.439 59.425 58.000 -0.024 0.000 1.228 45 F CB -1.518 37.458 39.000 -0.040 0.000 1.862 45 F HN 0.649 nan 8.300 nan 0.000 0.271 46 R N 1.524 122.101 120.500 0.128 0.000 2.577 46 R HA 0.479 4.819 4.340 -0.001 0.000 0.269 46 R C 0.533 176.862 176.300 0.049 0.000 1.084 46 R CA -0.562 55.585 56.100 0.078 0.000 1.163 46 R CB 0.657 30.987 30.300 0.051 0.000 1.100 46 R HN 0.111 nan 8.270 nan 0.000 0.547 47 R N 2.170 122.696 120.500 0.044 0.000 2.643 47 R HA 0.124 4.463 4.340 -0.001 0.000 0.270 47 R C -1.911 174.411 176.300 0.037 0.000 1.061 47 R CA -1.168 54.957 56.100 0.041 0.000 1.107 47 R CB 0.180 30.508 30.300 0.047 0.000 0.999 47 R HN 0.521 nan 8.270 nan 0.000 0.460 48 P HA 0.037 nan 4.420 nan 0.000 0.271 48 P C -0.902 176.429 177.300 0.052 0.000 1.218 48 P CA 0.087 63.215 63.100 0.047 0.000 0.780 48 P CB 0.920 32.672 31.700 0.086 0.000 0.901 49 E N 2.468 122.689 120.200 0.036 0.000 2.207 49 E HA 0.430 4.780 4.350 -0.001 0.000 0.270 49 E C -2.344 174.290 176.600 0.056 0.000 0.927 49 E CA -2.500 53.925 56.400 0.043 0.000 0.799 49 E CB 0.522 30.239 29.700 0.028 0.000 1.172 49 E HN 0.311 nan 8.360 nan 0.000 0.404 50 P HA -0.012 nan 4.420 nan 0.000 0.266 50 P C -0.310 177.043 177.300 0.088 0.000 1.195 50 P CA -0.109 63.056 63.100 0.109 0.000 0.768 50 P CB 0.435 32.202 31.700 0.112 0.000 0.838 51 K N 3.539 123.999 120.400 0.099 0.000 2.401 51 K HA 0.047 4.366 4.320 -0.001 0.000 0.278 51 K C -0.107 176.579 176.600 0.143 0.000 1.018 51 K CA 0.419 56.759 56.287 0.088 0.000 0.981 51 K CB 0.061 32.608 32.500 0.078 0.000 0.933 51 K HN 0.240 nan 8.250 nan 0.000 0.477 52 K N 5.598 126.082 120.400 0.139 0.000 2.298 52 K HA 0.175 4.495 4.320 -0.001 0.000 0.280 52 K C -2.174 174.536 176.600 0.183 0.000 1.032 52 K CA -1.707 54.659 56.287 0.133 0.000 0.958 52 K CB 0.445 33.015 32.500 0.116 0.000 0.978 52 K HN 0.533 nan 8.250 nan 0.000 0.472 53 P HA -0.073 nan 4.420 nan 0.000 0.268 53 P C -1.264 176.081 177.300 0.075 0.000 1.208 53 P CA 0.094 63.138 63.100 -0.093 0.000 0.777 53 P CB 0.272 31.885 31.700 -0.144 0.000 0.875 54 W N 0.450 121.815 121.300 0.109 0.000 2.864 54 W HA 0.733 5.392 4.660 -0.001 0.000 0.343 54 W C -1.021 175.569 176.519 0.119 0.000 1.109 54 W CA -0.745 56.682 57.345 0.137 0.000 1.192 54 W CB 0.269 29.868 29.460 0.231 0.000 1.426 54 W HN 0.096 nan 8.180 nan 0.000 0.529 55 S N 1.216 117.109 115.700 0.321 0.000 2.687 55 S HA 0.796 5.265 4.470 -0.001 0.000 0.283 55 S C 0.432 175.222 174.600 0.318 0.000 1.170 55 S CA 0.536 58.861 58.200 0.209 0.000 1.008 55 S CB 0.936 64.214 63.200 0.129 0.000 1.026 55 S HN 1.534 nan 8.310 nan 0.000 0.541 56 G N 0.003 108.934 108.800 0.218 0.000 2.741 56 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.222 56 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.222 56 G C -0.959 174.131 174.900 0.317 0.000 1.364 56 G CA -0.480 44.746 45.100 0.210 0.000 0.866 56 G HN 0.960 nan 8.290 nan 0.000 0.555 57 V N 0.759 120.820 119.914 0.246 0.000 2.398 57 V HA 0.524 4.644 4.120 -0.001 0.000 0.286 57 V C 0.436 176.683 176.094 0.255 0.000 1.026 57 V CA -0.566 61.911 62.300 0.295 0.000 0.868 57 V CB 1.753 33.686 31.823 0.182 0.000 0.982 57 V HN 0.738 nan 8.190 nan 0.000 0.443 58 W N 5.227 126.627 121.300 0.167 0.000 2.287 58 W HA 0.238 4.898 4.660 -0.000 0.000 0.313 58 W C 0.164 176.678 176.519 -0.009 0.000 1.267 58 W CA -0.432 56.855 57.345 -0.097 0.000 1.201 58 W CB 0.930 30.160 29.460 -0.384 0.000 1.196 58 W HN 0.635 nan 8.180 nan 0.000 0.536 59 N N 4.744 123.207 118.700 -0.395 0.000 2.415 59 N HA 0.196 4.935 4.740 -0.001 0.000 0.250 59 N C -0.542 174.951 175.510 -0.027 0.000 1.127 59 N CA 0.186 53.125 53.050 -0.185 0.000 0.945 59 N CB 0.790 39.107 38.487 -0.283 0.000 1.196 59 N HN 0.391 nan 8.380 nan 0.000 0.499 60 A N 2.814 125.751 122.820 0.195 0.000 3.264 60 A HA 0.202 4.522 4.320 -0.001 0.000 0.299 60 A C 0.992 178.591 177.584 0.024 0.000 1.272 60 A CA -0.450 51.724 52.037 0.227 0.000 1.030 60 A CB -0.455 18.780 19.000 0.392 0.000 1.102 60 A HN 0.617 nan 8.150 nan 0.000 0.615 61 S N -1.028 114.643 115.700 -0.048 0.000 2.539 61 S HA 0.185 4.655 4.470 -0.001 0.000 0.221 61 S C 0.653 175.170 174.600 -0.138 0.000 0.987 61 S CA 0.544 58.675 58.200 -0.116 0.000 0.929 61 S CB -0.217 62.918 63.200 -0.110 0.000 0.832 61 S HN 0.843 nan 8.310 nan 0.000 0.492 62 T N -0.769 113.718 114.554 -0.111 0.000 2.900 62 T HA 0.638 4.988 4.350 -0.001 0.000 0.295 62 T C -0.786 173.890 174.700 -0.040 0.000 1.044 62 T CA -0.719 61.313 62.100 -0.113 0.000 0.995 62 T CB 0.742 69.561 68.868 -0.082 0.000 1.072 62 T HN 0.064 nan 8.240 nan 0.000 0.473 63 Y N 2.996 123.267 120.300 -0.049 0.000 2.757 63 Y HA 0.294 4.844 4.550 -0.001 0.000 0.344 63 Y C -1.296 174.542 175.900 -0.103 0.000 1.263 63 Y CA -1.124 56.949 58.100 -0.046 0.000 1.493 63 Y CB 0.031 38.486 38.460 -0.007 0.000 1.342 63 Y HN 0.569 nan 8.280 nan 0.000 0.627 64 P HA 0.142 nan 4.420 nan 0.000 0.297 64 P C -0.656 176.576 177.300 -0.114 0.000 1.307 64 P CA -0.562 62.422 63.100 -0.193 0.000 0.773 64 P CB 1.081 32.579 31.700 -0.337 0.000 1.265 65 N N -0.018 118.596 118.700 -0.143 0.000 2.354 65 N HA 0.138 4.878 4.740 -0.001 0.000 0.246 65 N C -0.011 175.478 175.510 -0.035 0.000 1.285 65 N CA 0.078 53.086 53.050 -0.069 0.000 0.925 65 N CB 0.015 38.470 38.487 -0.054 0.000 1.174 65 N HN 0.421 nan 8.380 nan 0.000 0.478 66 N N -0.725 117.946 118.700 -0.048 0.000 2.417 66 N HA 0.416 5.156 4.740 -0.001 0.000 0.300 66 N C 0.124 175.604 175.510 -0.051 0.000 1.102 66 N CA -0.762 52.255 53.050 -0.055 0.000 0.886 66 N CB 1.241 39.676 38.487 -0.087 0.000 1.203 66 N HN 0.625 nan 8.380 nan 0.000 0.496 67 C N 1.236 120.509 119.300 -0.044 0.000 2.702 67 C HA 0.067 4.527 4.460 -0.001 0.000 0.411 67 C C 0.949 175.887 174.990 -0.086 0.000 1.286 67 C CA 0.008 58.988 59.018 -0.064 0.000 1.979 67 C CB -0.230 27.498 27.740 -0.020 0.000 2.728 67 C HN 0.514 nan 8.230 nan 0.000 0.652 68 Q N 2.779 122.461 119.800 -0.196 0.000 2.274 68 Q HA 0.324 4.664 4.340 -0.001 0.000 0.280 68 Q C 0.065 176.091 176.000 0.044 0.000 1.047 68 Q CA 1.109 56.797 55.803 -0.191 0.000 0.907 68 Q CB 0.653 29.034 28.738 -0.594 0.000 1.171 68 Q HN 0.940 nan 8.270 nan 0.000 0.381 69 Q N 1.485 121.368 119.800 0.138 0.000 2.590 69 Q HA 0.357 4.697 4.340 -0.001 0.000 0.295 69 Q C -1.284 174.904 176.000 0.313 0.000 0.973 69 Q CA -1.030 54.936 55.803 0.272 0.000 0.768 69 Q CB 0.895 29.756 28.738 0.204 0.000 1.479 69 Q HN 0.459 nan 8.270 nan 0.000 0.419 70 Y N 0.791 121.286 120.300 0.326 0.000 2.411 70 Y HA 0.435 4.984 4.550 -0.001 0.000 0.333 70 Y C -1.072 175.008 175.900 0.300 0.000 1.186 70 Y CA 0.096 58.407 58.100 0.353 0.000 1.381 70 Y CB 1.074 39.838 38.460 0.507 0.000 1.273 70 Y HN 0.432 nan 8.280 nan 0.000 0.546 71 V N 6.353 125.967 119.914 -0.501 0.000 2.444 71 V HA 0.145 4.265 4.120 -0.001 0.000 0.294 71 V C -0.758 175.086 176.094 -0.416 0.000 1.022 71 V CA -1.108 61.027 62.300 -0.274 0.000 0.850 71 V CB 1.492 33.236 31.823 -0.131 0.000 0.992 71 V HN 0.791 nan 8.190 nan 0.000 0.426 72 D N 3.672 124.049 120.400 -0.038 0.000 2.417 72 D HA 0.122 4.761 4.640 -0.001 0.000 0.250 72 D C 0.443 176.814 176.300 0.119 0.000 1.166 72 D CA 0.475 54.563 54.000 0.147 0.000 0.881 72 D CB 0.973 41.998 40.800 0.375 0.000 1.164 72 D HN 0.688 nan 8.370 nan 0.000 0.467 73 E N 2.252 122.500 120.200 0.081 0.000 2.968 73 E HA -0.022 4.328 4.350 -0.001 0.000 0.202 73 E C 0.581 177.167 176.600 -0.023 0.000 0.979 73 E CA -0.133 56.292 56.400 0.043 0.000 1.192 73 E CB 0.658 30.352 29.700 -0.010 0.000 1.059 73 E HN 0.364 nan 8.360 nan 0.000 0.470 74 Q N -0.150 119.620 119.800 -0.050 0.000 2.224 74 Q HA -0.036 4.303 4.340 -0.001 0.000 0.203 74 Q C -0.337 175.152 176.000 -0.853 0.000 0.970 74 Q CA 1.295 56.797 55.803 -0.501 0.000 0.865 74 Q CB 0.234 28.525 28.738 -0.746 0.000 0.922 74 Q HN 0.141 nan 8.270 nan 0.000 0.445 75 F N 0.074 120.075 119.950 0.085 0.000 2.794 75 F HA 0.406 4.933 4.527 -0.001 0.000 0.353 75 F C -2.282 173.587 175.800 0.116 0.000 1.371 75 F CA -2.782 55.246 58.000 0.048 0.000 1.173 75 F CB 1.154 40.163 39.000 0.015 0.000 1.693 75 F HN -0.150 nan 8.300 nan 0.000 0.606 76 P HA 0.153 nan 4.420 nan 0.000 0.261 76 P C 1.046 178.435 177.300 0.149 0.000 1.173 76 P CA 1.588 64.767 63.100 0.131 0.000 0.760 76 P CB 0.790 32.529 31.700 0.065 0.000 0.783 77 G N 3.238 112.114 108.800 0.126 0.000 2.498 77 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.229 77 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.229 77 G C 0.213 175.186 174.900 0.123 0.000 1.156 77 G CA -0.269 44.889 45.100 0.097 0.000 0.680 77 G HN 0.553 nan 8.290 nan 0.000 0.512 78 F N 3.916 123.865 119.950 -0.003 0.000 2.514 78 F HA 0.317 4.843 4.527 -0.001 0.000 0.399 78 F C 1.944 177.687 175.800 -0.096 0.000 1.011 78 F CA 0.534 58.480 58.000 -0.090 0.000 1.109 78 F CB 0.615 39.551 39.000 -0.107 0.000 0.980 78 F HN 0.454 nan 8.300 nan 0.000 0.538 79 S N 3.555 118.936 115.700 -0.532 0.000 2.382 79 S HA -0.141 4.329 4.470 -0.001 0.000 0.228 79 S C 2.366 176.609 174.600 -0.595 0.000 1.027 79 S CA 0.859 58.778 58.200 -0.469 0.000 0.991 79 S CB -1.302 61.647 63.200 -0.419 0.000 0.823 79 S HN 0.798 nan 8.310 nan 0.000 0.469 80 G N 1.759 109.765 108.800 -1.324 0.000 2.507 80 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.221 80 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.221 80 G C 1.702 176.748 174.900 0.242 0.000 1.119 80 G CA 1.583 46.084 45.100 -0.999 0.000 0.751 80 G HN 0.845 nan 8.290 nan 0.000 0.574 81 S N -0.802 115.094 115.700 0.326 0.000 2.527 81 S HA 0.184 4.654 4.470 -0.001 0.000 0.227 81 S C 1.792 176.693 174.600 0.503 0.000 1.059 81 S CA 0.676 59.387 58.200 0.852 0.000 0.919 81 S CB 0.127 63.979 63.200 1.087 0.000 0.805 81 S HN 0.427 nan 8.310 nan 0.000 0.500 82 E N 1.935 122.272 120.200 0.228 0.000 2.208 82 E HA -0.019 4.331 4.350 -0.001 0.000 0.193 82 E C 1.950 178.532 176.600 -0.031 0.000 0.988 82 E CA 1.204 57.669 56.400 0.109 0.000 0.828 82 E CB -0.407 29.322 29.700 0.049 0.000 0.763 82 E HN 0.832 nan 8.360 nan 0.000 0.478 83 M N -1.694 117.795 119.600 -0.186 0.000 2.706 83 M HA -0.076 4.404 4.480 -0.001 0.000 0.251 83 M C 0.754 176.697 176.300 -0.595 0.000 1.070 83 M CA 1.336 56.370 55.300 -0.445 0.000 1.073 83 M CB -0.270 31.946 32.600 -0.639 0.000 1.449 83 M HN 0.046 nan 8.290 nan 0.000 0.531 84 W N 0.335 121.591 121.300 -0.074 0.000 2.993 84 W HA 0.304 4.963 4.660 -0.001 0.000 0.290 84 W C 0.513 176.971 176.519 -0.101 0.000 1.203 84 W CA -0.881 56.390 57.345 -0.123 0.000 1.582 84 W CB 0.010 29.416 29.460 -0.089 0.000 1.033 84 W HN 0.077 nan 8.180 nan 0.000 0.594 85 N N 1.763 120.538 118.700 0.124 0.000 2.399 85 N HA 0.108 4.847 4.740 -0.001 0.000 0.250 85 N C -2.492 173.007 175.510 -0.018 0.000 1.272 85 N CA -1.004 52.085 53.050 0.065 0.000 0.928 85 N CB -0.342 38.182 38.487 0.062 0.000 1.158 85 N HN -0.345 nan 8.380 nan 0.000 0.463 86 P HA 0.088 nan 4.420 nan 0.000 0.267 86 P C 0.114 177.374 177.300 -0.066 0.000 1.205 86 P CA -0.122 62.937 63.100 -0.068 0.000 0.765 86 P CB 0.246 31.913 31.700 -0.055 0.000 0.828 87 N N 3.093 121.739 118.700 -0.090 0.000 2.273 87 N HA 0.093 4.832 4.740 -0.001 0.000 0.231 87 N C -0.009 175.468 175.510 -0.056 0.000 1.134 87 N CA -0.111 52.895 53.050 -0.073 0.000 0.856 87 N CB 0.262 38.696 38.487 -0.088 0.000 1.068 87 N HN 0.190 nan 8.380 nan 0.000 0.510 88 R N -0.245 120.220 120.500 -0.059 0.000 2.764 88 R HA 0.275 4.615 4.340 -0.001 0.000 0.270 88 R C -0.834 175.438 176.300 -0.046 0.000 1.014 88 R CA -0.753 55.319 56.100 -0.046 0.000 0.904 88 R CB 0.957 31.223 30.300 -0.055 0.000 1.236 88 R HN 0.103 nan 8.270 nan 0.000 0.466 89 E N 1.383 121.558 120.200 -0.041 0.000 2.529 89 E HA -0.014 4.336 4.350 -0.001 0.000 0.259 89 E C -0.242 176.329 176.600 -0.048 0.000 0.966 89 E CA 0.612 56.988 56.400 -0.041 0.000 0.937 89 E CB 0.451 30.125 29.700 -0.042 0.000 0.923 89 E HN 0.245 nan 8.360 nan 0.000 0.468 90 M N 2.494 122.066 119.600 -0.047 0.000 2.274 90 M HA 0.284 4.764 4.480 -0.001 0.000 0.344 90 M C -0.182 176.074 176.300 -0.073 0.000 1.161 90 M CA -0.056 55.209 55.300 -0.059 0.000 1.126 90 M CB 1.456 34.026 32.600 -0.051 0.000 1.522 90 M HN 0.465 nan 8.290 nan 0.000 0.461 91 S N 0.530 116.173 115.700 -0.096 0.000 2.543 91 S HA 0.209 4.679 4.470 -0.001 0.000 0.274 91 S C 0.018 174.523 174.600 -0.159 0.000 1.149 91 S CA -0.716 57.418 58.200 -0.110 0.000 0.866 91 S CB 1.428 64.590 63.200 -0.063 0.000 1.111 91 S HN 0.841 nan 8.310 nan 0.000 0.457 92 E N 0.908 120.984 120.200 -0.205 0.000 2.268 92 E HA -0.096 4.254 4.350 -0.001 0.000 0.195 92 E C -0.255 176.255 176.600 -0.151 0.000 0.995 92 E CA 0.730 56.976 56.400 -0.257 0.000 0.836 92 E CB 0.052 29.588 29.700 -0.274 0.000 0.763 92 E HN 0.573 nan 8.360 nan 0.000 0.491 93 D N -0.539 119.812 120.400 -0.081 0.000 2.517 93 D HA 0.059 4.699 4.640 -0.001 0.000 0.220 93 D C 0.121 176.478 176.300 0.094 0.000 1.158 93 D CA -0.083 53.907 54.000 -0.017 0.000 0.992 93 D CB 0.030 40.849 40.800 0.031 0.000 1.058 93 D HN 0.247 nan 8.370 nan 0.000 0.516 94 C N 4.128 123.437 119.300 0.015 0.000 3.491 94 C HA 0.339 4.799 4.460 -0.001 0.000 0.298 94 C C 1.069 176.071 174.990 0.020 0.000 1.424 94 C CA -0.404 58.678 59.018 0.106 0.000 1.772 94 C CB -0.558 27.194 27.740 0.021 0.000 2.447 94 C HN 0.530 nan 8.230 nan 0.000 0.670 95 L N 2.208 123.194 121.223 -0.395 0.000 2.415 95 L HA 0.329 4.669 4.340 -0.001 0.000 0.269 95 L C -0.908 175.145 176.870 -1.361 0.000 1.244 95 L CA 0.411 54.778 54.840 -0.787 0.000 1.113 95 L CB -1.200 40.301 42.059 -0.928 0.000 1.352 95 L HN 0.467 nan 8.230 nan 0.000 0.433 96 Y N 1.856 121.930 120.300 -0.378 0.000 2.605 96 Y HA 0.688 5.238 4.550 -0.000 0.000 0.343 96 Y C -0.094 175.888 175.900 0.136 0.000 1.036 96 Y CA -1.363 56.600 58.100 -0.227 0.000 1.065 96 Y CB 1.840 40.222 38.460 -0.130 0.000 1.288 96 Y HN 0.183 nan 8.280 nan 0.000 0.481 97 L N -0.166 121.214 121.223 0.262 0.000 2.350 97 L HA 0.756 5.096 4.340 -0.001 0.000 0.260 97 L C -1.344 175.587 176.870 0.102 0.000 1.015 97 L CA -1.153 53.816 54.840 0.215 0.000 0.821 97 L CB 1.887 44.032 42.059 0.144 0.000 1.370 97 L HN 0.469 nan 8.230 nan 0.000 0.416 98 N N 2.208 120.969 118.700 0.102 0.000 2.321 98 N HA 0.678 5.417 4.740 -0.001 0.000 0.299 98 N C -1.257 174.165 175.510 -0.146 0.000 1.048 98 N CA -0.207 52.801 53.050 -0.070 0.000 0.836 98 N CB 2.659 41.094 38.487 -0.087 0.000 1.269 98 N HN 0.648 nan 8.380 nan 0.000 0.486 99 I N 0.758 121.164 120.570 -0.273 0.000 2.498 99 I HA 0.378 4.548 4.170 -0.001 0.000 0.290 99 I C -0.696 175.334 176.117 -0.145 0.000 1.032 99 I CA -0.707 60.515 61.300 -0.130 0.000 1.073 99 I CB 2.150 40.007 38.000 -0.239 0.000 1.251 99 I HN 0.258 nan 8.210 nan 0.000 0.426 100 W N 6.197 127.629 121.300 0.219 0.000 2.361 100 W HA 0.540 5.200 4.660 -0.001 0.000 0.314 100 W C -1.015 175.643 176.519 0.231 0.000 1.041 100 W CA -0.579 56.897 57.345 0.219 0.000 1.241 100 W CB 2.026 31.589 29.460 0.172 0.000 1.279 100 W HN 0.087 nan 8.180 nan 0.000 0.436 101 V N 5.338 125.517 119.914 0.442 0.000 2.459 101 V HA 0.324 4.443 4.120 -0.001 0.000 0.295 101 V C -1.955 174.334 176.094 0.325 0.000 1.029 101 V CA -2.383 60.144 62.300 0.378 0.000 0.874 101 V CB 1.845 33.935 31.823 0.445 0.000 0.985 101 V HN 0.243 nan 8.190 nan 0.000 0.438 102 P HA 0.152 nan 4.420 nan 0.000 0.271 102 P C -0.613 176.816 177.300 0.215 0.000 1.233 102 P CA 0.076 63.315 63.100 0.231 0.000 0.789 102 P CB 0.531 32.332 31.700 0.169 0.000 0.951 103 S N 0.681 116.503 115.700 0.204 0.000 2.594 103 S HA 0.540 5.009 4.470 -0.001 0.000 0.296 103 S C -2.566 172.122 174.600 0.147 0.000 1.124 103 S CA -1.432 56.872 58.200 0.173 0.000 1.011 103 S CB 0.183 63.490 63.200 0.177 0.000 1.016 103 S HN 0.261 nan 8.310 nan 0.000 0.485 104 P HA 0.194 nan 4.420 nan 0.000 0.272 104 P C -0.440 176.931 177.300 0.118 0.000 1.223 104 P CA -0.574 62.591 63.100 0.108 0.000 0.784 104 P CB 0.410 32.160 31.700 0.082 0.000 0.923 105 R N 2.553 123.130 120.500 0.129 0.000 2.523 105 R HA 0.058 4.398 4.340 -0.001 0.000 0.281 105 R C -1.902 174.462 176.300 0.106 0.000 0.969 105 R CA -0.732 55.453 56.100 0.141 0.000 1.093 105 R CB -0.425 29.961 30.300 0.143 0.000 0.917 105 R HN 0.374 nan 8.270 nan 0.000 0.408 106 P HA 0.094 nan 4.420 nan 0.000 0.275 106 P C -0.234 177.101 177.300 0.058 0.000 1.266 106 P CA -0.406 62.740 63.100 0.076 0.000 0.793 106 P CB 0.696 32.443 31.700 0.079 0.000 1.074 107 K N -0.770 119.652 120.400 0.036 0.000 2.262 107 K HA 0.167 4.486 4.320 -0.001 0.000 0.200 107 K C 0.590 177.191 176.600 0.001 0.000 1.058 107 K CA 0.887 57.185 56.287 0.018 0.000 0.974 107 K CB -0.178 32.329 32.500 0.012 0.000 0.910 107 K HN 0.319 nan 8.250 nan 0.000 0.484 108 S N 1.078 116.779 115.700 0.003 0.000 2.787 108 S HA 0.117 4.587 4.470 -0.001 0.000 0.140 108 S C -0.809 173.789 174.600 -0.003 0.000 1.240 108 S CA -0.326 57.866 58.200 -0.013 0.000 1.163 108 S CB 0.170 63.352 63.200 -0.030 0.000 1.652 108 S HN 0.148 nan 8.310 nan 0.000 0.443 109 T N 1.653 116.216 114.554 0.016 0.000 2.862 109 T HA 0.522 4.872 4.350 -0.001 0.000 0.276 109 T C 0.319 175.030 174.700 0.017 0.000 0.974 109 T CA 0.083 62.195 62.100 0.020 0.000 0.966 109 T CB 0.878 69.770 68.868 0.040 0.000 1.072 109 T HN 0.432 nan 8.240 nan 0.000 0.538 110 T N 2.258 116.818 114.554 0.011 0.000 2.928 110 T HA 0.355 4.704 4.350 -0.001 0.000 0.305 110 T C -0.274 174.447 174.700 0.035 0.000 1.035 110 T CA -0.361 61.742 62.100 0.006 0.000 1.145 110 T CB 0.417 69.275 68.868 -0.017 0.000 0.963 110 T HN 0.407 nan 8.240 nan 0.000 0.545 111 V N 4.745 124.684 119.914 0.043 0.000 2.581 111 V HA 0.522 4.642 4.120 -0.001 0.000 0.303 111 V C -0.004 176.150 176.094 0.100 0.000 1.041 111 V CA -0.777 61.572 62.300 0.083 0.000 0.907 111 V CB 1.676 33.550 31.823 0.085 0.000 0.994 111 V HN 0.835 nan 8.190 nan 0.000 0.442 112 M N 4.256 123.948 119.600 0.155 0.000 2.197 112 M HA 0.515 4.995 4.480 -0.001 0.000 0.301 112 M C -1.375 175.161 176.300 0.393 0.000 0.987 112 M CA -0.577 54.850 55.300 0.213 0.000 0.921 112 M CB 2.179 34.833 32.600 0.089 0.000 1.569 112 M HN 0.351 nan 8.290 nan 0.000 0.431 113 V N 3.371 123.537 119.914 0.420 0.000 2.370 113 V HA 0.364 4.484 4.120 -0.001 0.000 0.283 113 V C -0.763 175.590 176.094 0.431 0.000 1.023 113 V CA -0.561 61.961 62.300 0.370 0.000 0.857 113 V CB 1.501 33.430 31.823 0.176 0.000 0.985 113 V HN 0.858 nan 8.190 nan 0.000 0.443 114 W N 7.198 128.572 121.300 0.124 0.000 2.390 114 W HA 0.649 5.309 4.660 -0.001 0.000 0.312 114 W C -1.432 174.967 176.519 -0.201 0.000 1.123 114 W CA -0.893 56.273 57.345 -0.298 0.000 1.202 114 W CB 1.329 30.629 29.460 -0.268 0.000 1.251 114 W HN 0.437 nan 8.180 nan 0.000 0.511 115 I N 9.138 129.066 120.570 -1.070 0.000 2.382 115 I HA 0.080 4.249 4.170 -0.001 0.000 0.285 115 I C -0.178 175.115 176.117 -1.373 0.000 1.007 115 I CA -1.138 59.597 61.300 -0.942 0.000 1.142 115 I CB 0.612 38.253 38.000 -0.599 0.000 1.289 115 I HN 0.310 nan 8.210 nan 0.000 0.453 116 Y N 4.636 124.394 120.300 -0.903 0.000 2.426 116 Y HA 0.630 5.180 4.550 -0.001 0.000 0.344 116 Y C 0.738 176.439 175.900 -0.332 0.000 1.256 116 Y CA -0.817 56.881 58.100 -0.669 0.000 1.451 116 Y CB -0.088 38.217 38.460 -0.259 0.000 1.342 116 Y HN 0.527 nan 8.280 nan 0.000 0.600 117 G N -0.872 107.934 108.800 0.010 0.000 2.583 117 G HA2 0.505 4.465 3.960 -0.001 0.000 0.280 117 G HA3 0.505 4.465 3.960 -0.001 0.000 0.280 117 G C 0.256 175.114 174.900 -0.070 0.000 1.376 117 G CA -0.932 44.111 45.100 -0.095 0.000 1.043 117 G HN 1.680 nan 8.290 nan 0.000 0.538 118 G N -2.917 105.686 108.800 -0.329 0.000 2.665 118 G HA2 0.421 4.381 3.960 -0.001 0.000 0.220 118 G HA3 0.421 4.381 3.960 -0.001 0.000 0.220 118 G C 1.000 175.367 174.900 -0.888 0.000 1.002 118 G CA 0.785 45.562 45.100 -0.537 0.000 0.893 118 G HN 2.295 nan 8.290 nan 0.000 0.586 119 G N -0.311 108.008 108.800 -0.802 0.000 2.187 119 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.261 119 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.261 119 G C 0.884 175.533 174.900 -0.418 0.000 1.000 119 G CA 0.678 45.184 45.100 -0.990 0.000 0.718 119 G HN 1.670 nan 8.290 nan 0.000 0.519 120 F N -3.283 116.558 119.950 -0.182 0.000 2.871 120 F HA -0.295 4.232 4.527 -0.001 0.000 0.326 120 F C 1.386 177.256 175.800 0.116 0.000 0.675 120 F CA 2.103 60.099 58.000 -0.008 0.000 1.188 120 F CB -2.083 36.776 39.000 -0.236 0.000 1.567 120 F HN 0.989 nan 8.300 nan 0.000 0.325 121 Y N -1.348 119.013 120.300 0.102 0.000 2.527 121 Y HA 0.673 5.222 4.550 -0.001 0.000 0.247 121 Y C 0.506 176.502 175.900 0.161 0.000 1.138 121 Y CA 0.142 58.324 58.100 0.136 0.000 1.228 121 Y CB -0.043 38.414 38.460 -0.004 0.000 1.252 121 Y HN 0.074 nan 8.280 nan 0.000 0.531 122 S N -0.841 114.687 115.700 -0.286 0.000 2.727 122 S HA 0.880 5.350 4.470 -0.001 0.000 0.278 122 S C -0.187 174.289 174.600 -0.207 0.000 1.186 122 S CA -0.603 57.485 58.200 -0.188 0.000 0.836 122 S CB 1.408 64.431 63.200 -0.295 0.000 1.186 122 S HN 1.339 nan 8.310 nan 0.000 0.499 123 G N -0.340 108.307 108.800 -0.256 0.000 2.528 123 G HA2 0.417 4.377 3.960 -0.001 0.000 0.681 123 G HA3 0.417 4.377 3.960 -0.001 0.000 0.681 123 G C -0.981 173.305 174.900 -1.023 0.000 1.340 123 G CA -0.346 44.431 45.100 -0.539 0.000 0.855 123 G HN 1.333 nan 8.290 nan 0.000 0.649 124 S N -0.773 114.298 115.700 -1.048 0.000 2.556 124 S HA 0.740 5.210 4.470 -0.001 0.000 0.271 124 S C 0.968 175.339 174.600 -0.381 0.000 1.135 124 S CA 0.070 57.846 58.200 -0.706 0.000 0.858 124 S CB 1.841 64.861 63.200 -0.299 0.000 1.114 124 S HN 1.964 nan 8.310 nan 0.000 0.468 125 S N -0.348 115.333 115.700 -0.032 0.000 2.524 125 S HA -0.034 4.435 4.470 -0.001 0.000 0.216 125 S C 1.318 175.987 174.600 0.115 0.000 0.987 125 S CA 0.745 59.117 58.200 0.286 0.000 0.909 125 S CB -0.590 62.838 63.200 0.380 0.000 0.781 125 S HN 0.838 nan 8.310 nan 0.000 0.521 126 T N 0.441 114.874 114.554 -0.201 0.000 3.188 126 T HA 0.411 4.761 4.350 -0.001 0.000 0.250 126 T C 0.470 174.933 174.700 -0.395 0.000 1.077 126 T CA -0.530 61.160 62.100 -0.683 0.000 0.967 126 T CB -0.613 67.711 68.868 -0.906 0.000 1.006 126 T HN 0.308 nan 8.240 nan 0.000 0.552 127 L N 1.745 122.848 121.223 -0.200 0.000 2.467 127 L HA 0.211 4.551 4.340 -0.001 0.000 0.270 127 L C 1.318 178.008 176.870 -0.301 0.000 1.205 127 L CA -0.640 54.011 54.840 -0.315 0.000 0.828 127 L CB 0.403 42.126 42.059 -0.559 0.000 1.101 127 L HN 0.064 nan 8.230 nan 0.000 0.479 128 D N 1.080 121.304 120.400 -0.294 0.000 2.123 128 D HA -0.139 4.501 4.640 -0.001 0.000 0.196 128 D C 2.045 178.152 176.300 -0.322 0.000 0.992 128 D CA 1.116 54.989 54.000 -0.211 0.000 0.833 128 D CB -0.076 40.608 40.800 -0.192 0.000 0.954 128 D HN 0.428 nan 8.370 nan 0.000 0.455 129 V N 0.177 119.752 119.914 -0.565 0.000 2.688 129 V HA -0.228 3.891 4.120 -0.001 0.000 0.256 129 V C 1.319 176.918 176.094 -0.825 0.000 1.084 129 V CA 1.231 63.122 62.300 -0.682 0.000 1.103 129 V CB -1.003 30.247 31.823 -0.955 0.000 0.688 129 V HN 0.160 nan 8.190 nan 0.000 0.480 130 Y N -0.392 119.482 120.300 -0.710 0.000 2.571 130 Y HA 0.389 4.939 4.550 -0.001 0.000 0.275 130 Y C 1.035 176.539 175.900 -0.660 0.000 1.179 130 Y CA -1.709 55.709 58.100 -1.137 0.000 1.242 130 Y CB -0.961 37.162 38.460 -0.562 0.000 1.126 130 Y HN 0.198 nan 8.280 nan 0.000 0.524 131 N N 1.337 119.873 118.700 -0.273 0.000 2.416 131 N HA -0.015 4.725 4.740 -0.001 0.000 0.271 131 N C 1.373 176.589 175.510 -0.490 0.000 1.245 131 N CA 0.553 53.435 53.050 -0.280 0.000 0.940 131 N CB 1.183 39.583 38.487 -0.146 0.000 1.175 131 N HN 0.517 nan 8.380 nan 0.000 0.483 132 G N 3.457 111.425 108.800 -1.386 0.000 2.598 132 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.215 132 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.215 132 G C 1.475 175.819 174.900 -0.927 0.000 1.131 132 G CA 0.670 45.145 45.100 -1.042 0.000 0.785 132 G HN 0.744 nan 8.290 nan 0.000 0.539 133 K N -0.420 119.210 120.400 -1.283 0.000 2.063 133 K HA -0.176 4.143 4.320 -0.001 0.000 0.208 133 K C 1.921 178.336 176.600 -0.309 0.000 1.048 133 K CA 1.371 57.277 56.287 -0.634 0.000 0.928 133 K CB -0.620 31.558 32.500 -0.535 0.000 0.713 133 K HN 0.300 nan 8.250 nan 0.000 0.442 134 Y N 1.172 121.396 120.300 -0.126 0.000 2.145 134 Y HA -0.163 4.386 4.550 -0.001 0.000 0.286 134 Y C 2.379 178.287 175.900 0.015 0.000 1.145 134 Y CA 0.973 59.059 58.100 -0.024 0.000 1.148 134 Y CB -0.669 37.757 38.460 -0.057 0.000 0.981 134 Y HN 0.061 nan 8.280 nan 0.000 0.507 135 L N 0.047 121.322 121.223 0.086 0.000 2.072 135 L HA -0.022 4.317 4.340 -0.001 0.000 0.205 135 L C 2.376 179.270 176.870 0.040 0.000 1.079 135 L CA 1.835 56.678 54.840 0.006 0.000 0.752 135 L CB -1.218 40.759 42.059 -0.137 0.000 0.906 135 L HN 0.132 nan 8.230 nan 0.000 0.436 136 A N -1.264 121.594 122.820 0.062 0.000 1.883 136 A HA -0.303 4.016 4.320 -0.001 0.000 0.217 136 A C 2.299 179.977 177.584 0.156 0.000 1.186 136 A CA 2.040 54.158 52.037 0.136 0.000 0.624 136 A CB -1.210 17.927 19.000 0.228 0.000 0.822 136 A HN 0.609 nan 8.150 nan 0.000 0.444 137 Y N 1.105 121.430 120.300 0.043 0.000 2.070 137 Y HA -0.179 4.371 4.550 -0.001 0.000 0.279 137 Y C 2.748 178.677 175.900 0.047 0.000 1.134 137 Y CA 2.439 60.569 58.100 0.049 0.000 1.113 137 Y CB -0.914 37.563 38.460 0.029 0.000 0.981 137 Y HN 0.298 nan 8.280 nan 0.000 0.487 138 T N 0.475 115.030 114.554 0.002 0.000 2.759 138 T HA -0.151 4.198 4.350 -0.001 0.000 0.269 138 T C 1.374 176.021 174.700 -0.089 0.000 1.042 138 T CA 1.798 63.838 62.100 -0.100 0.000 1.140 138 T CB -0.129 68.761 68.868 0.037 0.000 0.864 138 T HN 0.343 nan 8.240 nan 0.000 0.455 139 E N 0.408 120.591 120.200 -0.028 0.000 2.476 139 E HA 0.105 4.454 4.350 -0.001 0.000 0.199 139 E C 0.052 176.647 176.600 -0.008 0.000 1.021 139 E CA 0.066 56.465 56.400 -0.001 0.000 0.907 139 E CB 0.224 29.931 29.700 0.011 0.000 0.974 139 E HN 0.612 nan 8.360 nan 0.000 0.489 140 E N 0.075 120.265 120.200 -0.015 0.000 2.257 140 E HA -0.147 4.202 4.350 -0.001 0.000 0.217 140 E C -0.306 176.320 176.600 0.042 0.000 1.248 140 E CA 0.415 56.822 56.400 0.012 0.000 0.691 140 E CB -2.026 27.669 29.700 -0.008 0.000 1.185 140 E HN 0.134 nan 8.360 nan 0.000 0.377 141 V N -3.481 116.473 119.914 0.068 0.000 3.040 141 V HA 0.695 4.815 4.120 -0.001 0.000 0.312 141 V C 0.214 176.388 176.094 0.134 0.000 1.115 141 V CA -1.123 61.223 62.300 0.078 0.000 0.998 141 V CB 2.382 34.234 31.823 0.048 0.000 1.042 141 V HN 0.001 nan 8.190 nan 0.000 0.433 142 V N 4.333 124.332 119.914 0.142 0.000 2.408 142 V HA 0.302 4.422 4.120 -0.001 0.000 0.267 142 V C 0.027 176.255 176.094 0.224 0.000 1.047 142 V CA -0.278 62.137 62.300 0.192 0.000 0.937 142 V CB 1.028 32.947 31.823 0.159 0.000 0.999 142 V HN 0.740 nan 8.190 nan 0.000 0.472 143 L N 7.463 128.879 121.223 0.321 0.000 2.272 143 L HA 0.578 4.918 4.340 -0.001 0.000 0.289 143 L C -0.439 176.730 176.870 0.498 0.000 1.032 143 L CA 0.075 55.158 54.840 0.405 0.000 0.810 143 L CB 1.712 44.020 42.059 0.414 0.000 1.205 143 L HN 0.396 nan 8.230 nan 0.000 0.422 144 V N 3.798 123.969 119.914 0.428 0.000 2.495 144 V HA 0.559 4.679 4.120 -0.001 0.000 0.298 144 V C 0.021 176.386 176.094 0.451 0.000 1.031 144 V CA -0.613 61.908 62.300 0.368 0.000 0.871 144 V CB 2.042 34.001 31.823 0.227 0.000 0.988 144 V HN 0.888 nan 8.190 nan 0.000 0.432 145 S N 5.321 121.298 115.700 0.462 0.000 2.561 145 S HA 0.834 5.304 4.470 -0.001 0.000 0.303 145 S C -0.853 173.948 174.600 0.334 0.000 1.110 145 S CA -0.742 57.752 58.200 0.489 0.000 1.034 145 S CB 1.510 65.120 63.200 0.684 0.000 1.010 145 S HN 0.684 nan 8.310 nan 0.000 0.482 146 L N 1.203 122.566 121.223 0.232 0.000 2.397 146 L HA 1.005 5.345 4.340 -0.001 0.000 0.266 146 L C 0.138 177.181 176.870 0.288 0.000 1.040 146 L CA -0.734 54.229 54.840 0.205 0.000 0.800 146 L CB 0.436 42.495 42.059 -0.002 0.000 1.324 146 L HN 0.867 nan 8.230 nan 0.000 0.469 147 S N -1.571 114.362 115.700 0.389 0.000 2.661 147 S HA 0.915 5.384 4.470 -0.001 0.000 0.285 147 S C -1.234 173.632 174.600 0.444 0.000 1.138 147 S CA -0.517 57.931 58.200 0.415 0.000 0.855 147 S CB 1.593 65.039 63.200 0.409 0.000 1.136 147 S HN 1.156 nan 8.310 nan 0.000 0.484 148 Y N -1.877 118.554 120.300 0.219 0.000 2.624 148 Y HA 0.688 5.237 4.550 -0.001 0.000 0.334 148 Y C -0.856 175.166 175.900 0.204 0.000 1.155 148 Y CA -1.435 56.770 58.100 0.176 0.000 1.046 148 Y CB 0.641 39.151 38.460 0.084 0.000 1.316 148 Y HN 0.754 nan 8.280 nan 0.000 0.457 149 R N 1.769 122.407 120.500 0.230 0.000 2.491 149 R HA 0.555 4.895 4.340 -0.001 0.000 0.283 149 R C -0.148 176.318 176.300 0.276 0.000 1.072 149 R CA -0.286 55.907 56.100 0.155 0.000 1.048 149 R CB 1.060 31.419 30.300 0.098 0.000 0.983 149 R HN 0.701 nan 8.270 nan 0.000 0.450 150 V N -0.202 119.901 119.914 0.315 0.000 3.204 150 V HA 0.894 5.014 4.120 -0.001 0.000 0.316 150 V C 0.744 177.161 176.094 0.538 0.000 1.160 150 V CA -0.052 62.563 62.300 0.524 0.000 1.044 150 V CB 1.125 33.160 31.823 0.354 0.000 1.136 150 V HN 0.959 nan 8.190 nan 0.000 0.455 151 G N 0.411 109.560 108.800 0.581 0.000 2.575 151 G HA2 -0.006 3.954 3.960 -0.001 0.000 0.267 151 G HA3 -0.006 3.954 3.960 -0.001 0.000 0.267 151 G C 1.024 176.083 174.900 0.265 0.000 1.264 151 G CA 1.104 46.469 45.100 0.442 0.000 0.935 151 G HN 2.228 nan 8.290 nan 0.000 0.568 152 A N -1.409 121.275 122.820 -0.227 0.000 1.933 152 A HA 0.236 4.556 4.320 -0.001 0.000 0.218 152 A C 2.235 179.708 177.584 -0.185 0.000 1.175 152 A CA 2.512 54.124 52.037 -0.708 0.000 0.628 152 A CB -0.495 17.871 19.000 -1.057 0.000 0.814 152 A HN 0.949 nan 8.150 nan 0.000 0.444 153 F N 0.036 120.059 119.950 0.121 0.000 2.250 153 F HA -0.039 4.488 4.527 -0.001 0.000 0.301 153 F C 2.333 178.161 175.800 0.047 0.000 1.077 153 F CA 1.215 59.261 58.000 0.077 0.000 1.348 153 F CB -0.521 38.471 39.000 -0.013 0.000 1.040 153 F HN 0.301 nan 8.300 nan 0.000 0.509 154 G N -3.018 105.869 108.800 0.145 0.000 3.079 154 G HA2 0.128 4.088 3.960 -0.001 0.000 0.233 154 G HA3 0.128 4.088 3.960 -0.001 0.000 0.233 154 G C 0.611 175.041 174.900 -0.782 0.000 1.062 154 G CA 0.032 44.980 45.100 -0.253 0.000 0.809 154 G HN 0.300 nan 8.290 nan 0.000 0.535 155 F N -0.335 119.688 119.950 0.122 0.000 2.899 155 F HA 0.433 4.960 4.527 -0.001 0.000 0.337 155 F C 0.317 176.153 175.800 0.061 0.000 1.129 155 F CA -0.957 57.091 58.000 0.081 0.000 1.128 155 F CB 0.528 39.593 39.000 0.109 0.000 1.154 155 F HN -0.083 nan 8.300 nan 0.000 0.531 156 L N 2.211 123.436 121.223 0.003 0.000 2.513 156 L HA 0.465 4.805 4.340 -0.001 0.000 0.272 156 L C 0.161 176.993 176.870 -0.064 0.000 1.187 156 L CA 0.196 54.932 54.840 -0.172 0.000 0.895 156 L CB 0.264 41.935 42.059 -0.648 0.000 1.147 156 L HN 0.159 nan 8.230 nan 0.000 0.483 157 A N 6.878 129.704 122.820 0.011 0.000 2.375 157 A HA 0.620 4.939 4.320 -0.001 0.000 0.291 157 A C -0.822 176.773 177.584 0.018 0.000 1.160 157 A CA -0.483 51.571 52.037 0.028 0.000 0.747 157 A CB 0.602 19.649 19.000 0.078 0.000 1.170 157 A HN 0.696 nan 8.150 nan 0.000 0.458 158 L N 3.628 124.854 121.223 0.006 0.000 2.599 158 L HA 0.236 4.575 4.340 -0.001 0.000 0.241 158 L C 0.135 177.041 176.870 0.060 0.000 1.207 158 L CA -0.783 54.066 54.840 0.014 0.000 0.987 158 L CB 0.163 42.200 42.059 -0.035 0.000 1.318 158 L HN 0.905 nan 8.230 nan 0.000 0.458 159 H N 1.453 120.522 119.070 -0.002 0.000 3.092 159 H HA 0.162 4.718 4.556 -0.001 0.000 0.332 159 H C 1.238 176.570 175.328 0.007 0.000 1.029 159 H CA 1.768 57.822 56.048 0.009 0.000 1.376 159 H CB 0.831 30.602 29.762 0.015 0.000 1.329 159 H HN 0.668 nan 8.280 nan 0.000 0.598 160 G N 2.456 110.948 108.800 -0.513 0.000 2.279 160 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.223 160 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.223 160 G C 0.362 175.165 174.900 -0.161 0.000 1.015 160 G CA 0.450 45.355 45.100 -0.324 0.000 0.621 160 G HN 1.123 nan 8.290 nan 0.000 0.506 161 S N -0.473 115.166 115.700 -0.101 0.000 2.722 161 S HA 0.734 5.204 4.470 -0.001 0.000 0.292 161 S C 0.590 175.168 174.600 -0.036 0.000 1.135 161 S CA -0.069 58.101 58.200 -0.050 0.000 1.003 161 S CB 2.047 65.233 63.200 -0.024 0.000 1.067 161 S HN 0.097 nan 8.310 nan 0.000 0.546 162 Q N -0.171 119.621 119.800 -0.012 0.000 2.247 162 Q HA 0.271 4.610 4.340 -0.001 0.000 0.211 162 Q C 0.502 176.518 176.000 0.027 0.000 0.861 162 Q CA 0.092 55.898 55.803 0.005 0.000 0.949 162 Q CB 0.306 29.047 28.738 0.005 0.000 1.115 162 Q HN 0.695 nan 8.270 nan 0.000 0.507 163 E N 0.473 120.692 120.200 0.032 0.000 2.442 163 E HA 0.159 4.508 4.350 -0.001 0.000 0.195 163 E C 0.039 176.693 176.600 0.089 0.000 1.030 163 E CA 0.188 56.626 56.400 0.063 0.000 0.869 163 E CB 0.748 30.488 29.700 0.067 0.000 0.857 163 E HN 0.160 nan 8.360 nan 0.000 0.505 164 A N 1.204 124.053 122.820 0.047 0.000 3.208 164 A HA 0.234 4.554 4.320 -0.001 0.000 0.252 164 A C -2.125 175.469 177.584 0.016 0.000 1.225 164 A CA -0.687 51.368 52.037 0.030 0.000 0.980 164 A CB 0.450 19.399 19.000 -0.086 0.000 1.414 164 A HN -0.129 nan 8.150 nan 0.000 0.721 165 P HA 0.125 nan 4.420 nan 0.000 0.218 165 P C 0.960 178.311 177.300 0.085 0.000 1.149 165 P CA 2.091 65.225 63.100 0.057 0.000 0.817 165 P CB 0.232 31.965 31.700 0.056 0.000 0.785 166 G N -0.142 108.688 108.800 0.050 0.000 2.479 166 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.686 166 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.686 166 G C -0.275 174.626 174.900 0.001 0.000 1.295 166 G CA -0.282 44.846 45.100 0.047 0.000 0.922 166 G HN 0.088 nan 8.290 nan 0.000 0.582 167 N N -2.138 116.552 118.700 -0.016 0.000 2.650 167 N HA -0.284 4.456 4.740 -0.001 0.000 0.249 167 N C 1.963 177.331 175.510 -0.236 0.000 1.155 167 N CA 2.339 55.303 53.050 -0.144 0.000 0.747 167 N CB -1.531 36.799 38.487 -0.262 0.000 1.132 167 N HN 1.919 nan 8.380 nan 0.000 0.564 168 V N -2.727 117.061 119.914 -0.211 0.000 2.867 168 V HA 0.013 4.133 4.120 -0.001 0.000 0.260 168 V C 2.166 178.135 176.094 -0.208 0.000 1.099 168 V CA 2.171 64.386 62.300 -0.141 0.000 1.122 168 V CB -0.705 31.079 31.823 -0.065 0.000 0.708 168 V HN 0.285 nan 8.190 nan 0.000 0.490 169 G N 0.217 108.705 108.800 -0.519 0.000 2.421 169 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.217 169 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.217 169 G C 1.476 176.313 174.900 -0.105 0.000 1.143 169 G CA 0.877 45.734 45.100 -0.405 0.000 0.784 169 G HN 0.538 nan 8.290 nan 0.000 0.541 170 L N -0.064 121.058 121.223 -0.169 0.000 2.179 170 L HA 0.171 4.511 4.340 -0.001 0.000 0.208 170 L C 2.710 179.638 176.870 0.096 0.000 1.096 170 L CA 0.185 54.942 54.840 -0.139 0.000 0.779 170 L CB -0.231 41.426 42.059 -0.670 0.000 0.922 170 L HN 0.158 nan 8.230 nan 0.000 0.443 171 L N -0.528 120.741 121.223 0.077 0.000 2.141 171 L HA -0.197 4.143 4.340 -0.001 0.000 0.209 171 L C 2.137 179.084 176.870 0.129 0.000 1.094 171 L CA 0.853 55.796 54.840 0.172 0.000 0.763 171 L CB -0.577 41.556 42.059 0.123 0.000 0.908 171 L HN 0.284 nan 8.230 nan 0.000 0.437 172 D N 0.142 120.610 120.400 0.114 0.000 2.092 172 D HA -0.202 4.437 4.640 -0.001 0.000 0.193 172 D C 2.290 178.641 176.300 0.085 0.000 0.994 172 D CA 1.304 55.420 54.000 0.194 0.000 0.828 172 D CB -0.127 40.829 40.800 0.261 0.000 0.963 172 D HN 0.410 nan 8.370 nan 0.000 0.450 173 Q N 0.113 119.931 119.800 0.030 0.000 2.084 173 Q HA -0.126 4.214 4.340 -0.001 0.000 0.202 173 Q C 2.268 178.165 176.000 -0.171 0.000 0.978 173 Q CA 0.941 56.681 55.803 -0.104 0.000 0.844 173 Q CB -0.089 28.602 28.738 -0.077 0.000 0.898 173 Q HN 0.187 nan 8.270 nan 0.000 0.426 174 R N 0.511 120.993 120.500 -0.031 0.000 2.120 174 R HA -0.160 4.180 4.340 -0.001 0.000 0.234 174 R C 2.163 178.421 176.300 -0.071 0.000 1.123 174 R CA 1.358 57.423 56.100 -0.057 0.000 0.975 174 R CB -0.093 30.267 30.300 0.100 0.000 0.866 174 R HN 0.248 nan 8.270 nan 0.000 0.446 175 M N 0.295 119.862 119.600 -0.055 0.000 2.099 175 M HA -0.068 4.412 4.480 -0.001 0.000 0.262 175 M C 2.128 178.303 176.300 -0.208 0.000 1.067 175 M CA 2.139 57.421 55.300 -0.030 0.000 1.124 175 M CB -0.164 32.510 32.600 0.122 0.000 1.353 175 M HN 0.213 nan 8.290 nan 0.000 0.410 176 A N 0.115 122.530 122.820 -0.674 0.000 1.940 176 A HA -0.137 4.183 4.320 -0.001 0.000 0.219 176 A C 2.135 179.574 177.584 -0.241 0.000 1.176 176 A CA 1.799 53.310 52.037 -0.876 0.000 0.631 176 A CB -1.209 17.088 19.000 -1.172 0.000 0.814 176 A HN 0.604 nan 8.150 nan 0.000 0.446 177 L N -1.214 119.899 121.223 -0.182 0.000 2.093 177 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 177 L C 2.825 179.727 176.870 0.054 0.000 1.085 177 L CA 1.603 56.411 54.840 -0.053 0.000 0.755 177 L CB -0.392 41.599 42.059 -0.113 0.000 0.904 177 L HN 0.477 nan 8.230 nan 0.000 0.435 178 Q N -0.541 119.285 119.800 0.043 0.000 2.124 178 Q HA -0.250 4.090 4.340 -0.001 0.000 0.202 178 Q C 1.956 178.070 176.000 0.191 0.000 0.977 178 Q CA 1.824 57.684 55.803 0.095 0.000 0.850 178 Q CB -0.369 28.411 28.738 0.070 0.000 0.901 178 Q HN 0.478 nan 8.270 nan 0.000 0.429 179 W N -0.857 120.453 121.300 0.017 0.000 2.379 179 W HA -0.112 4.547 4.660 -0.001 0.000 0.307 179 W C 1.878 178.440 176.519 0.072 0.000 1.200 179 W CA 1.556 58.939 57.345 0.062 0.000 1.297 179 W CB -0.218 29.282 29.460 0.066 0.000 1.140 179 W HN -0.023 nan 8.180 nan 0.000 0.507 180 V N 0.099 120.211 119.914 0.330 0.000 2.332 180 V HA -0.391 3.729 4.120 -0.001 0.000 0.248 180 V C 2.500 178.626 176.094 0.054 0.000 1.055 180 V CA 2.361 64.775 62.300 0.190 0.000 1.038 180 V CB -1.312 30.611 31.823 0.167 0.000 0.651 180 V HN 0.358 nan 8.190 nan 0.000 0.450 181 H N 0.150 119.221 119.070 0.000 0.000 2.389 181 H HA -0.138 4.417 4.556 -0.001 0.000 0.299 181 H C 1.715 176.983 175.328 -0.100 0.000 1.081 181 H CA 1.791 57.816 56.048 -0.038 0.000 1.345 181 H CB 0.145 29.897 29.762 -0.017 0.000 1.393 181 H HN 0.436 nan 8.280 nan 0.000 0.520 182 D N -0.475 119.880 120.400 -0.075 0.000 2.354 182 D HA -0.007 4.632 4.640 -0.001 0.000 0.209 182 D C 0.946 177.075 176.300 -0.285 0.000 1.015 182 D CA 0.289 54.190 54.000 -0.164 0.000 0.867 182 D CB 0.237 40.984 40.800 -0.089 0.000 0.933 182 D HN 0.455 nan 8.370 nan 0.000 0.520 183 N N -0.187 118.279 118.700 -0.391 0.000 2.104 183 N HA 0.012 4.751 4.740 -0.001 0.000 0.227 183 N C 1.441 176.859 175.510 -0.154 0.000 1.321 183 N CA -0.183 52.657 53.050 -0.350 0.000 0.877 183 N CB 0.956 38.898 38.487 -0.907 0.000 1.117 183 N HN -0.020 nan 8.380 nan 0.000 0.486 184 I N 3.281 123.782 120.570 -0.114 0.000 2.657 184 I HA -0.248 3.922 4.170 -0.001 0.000 0.261 184 I C 2.525 178.633 176.117 -0.014 0.000 1.212 184 I CA 1.378 62.716 61.300 0.063 0.000 1.453 184 I CB -0.199 37.813 38.000 0.019 0.000 1.092 184 I HN 0.216 nan 8.210 nan 0.000 0.452 185 Q N -0.825 118.785 119.800 -0.316 0.000 2.224 185 Q HA -0.213 4.127 4.340 -0.001 0.000 0.203 185 Q C 1.694 177.443 176.000 -0.418 0.000 0.970 185 Q CA 1.561 57.110 55.803 -0.424 0.000 0.865 185 Q CB -0.746 27.602 28.738 -0.650 0.000 0.922 185 Q HN 0.428 nan 8.270 nan 0.000 0.445 186 F N -0.449 119.436 119.950 -0.107 0.000 2.748 186 F HA 0.157 4.683 4.527 -0.001 0.000 0.299 186 F C 0.739 176.307 175.800 -0.387 0.000 1.154 186 F CA 0.189 58.032 58.000 -0.262 0.000 1.446 186 F CB 0.014 38.781 39.000 -0.389 0.000 1.112 186 F HN 0.002 nan 8.300 nan 0.000 0.584 187 F N -0.820 119.122 119.950 -0.013 0.000 2.678 187 F HA 0.429 4.956 4.527 -0.001 0.000 0.305 187 F C 1.786 177.592 175.800 0.010 0.000 1.090 187 F CA 0.351 58.328 58.000 -0.037 0.000 1.272 187 F CB 0.305 39.256 39.000 -0.081 0.000 1.060 187 F HN 0.028 nan 8.300 nan 0.000 0.576 188 G N 0.078 108.948 108.800 0.118 0.000 2.194 188 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.236 188 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.236 188 G C 0.710 175.646 174.900 0.060 0.000 0.987 188 G CA -0.318 44.831 45.100 0.082 0.000 0.635 188 G HN 0.689 nan 8.290 nan 0.000 0.520 189 G N -0.230 108.613 108.800 0.071 0.000 2.507 189 G HA2 0.470 4.430 3.960 -0.001 0.000 0.271 189 G HA3 0.470 4.430 3.960 -0.001 0.000 0.271 189 G C -0.704 174.180 174.900 -0.025 0.000 1.189 189 G CA 0.481 45.605 45.100 0.039 0.000 0.859 189 G HN 0.314 nan 8.290 nan 0.000 0.542 190 D N 1.118 121.502 120.400 -0.025 0.000 2.412 190 D HA 0.283 4.923 4.640 -0.001 0.000 0.224 190 D C -0.901 175.361 176.300 -0.064 0.000 1.093 190 D CA -2.399 51.566 54.000 -0.058 0.000 0.850 190 D CB 1.820 42.595 40.800 -0.042 0.000 1.046 190 D HN 0.064 nan 8.370 nan 0.000 0.507 191 P HA -0.181 nan 4.420 nan 0.000 0.221 191 P C 0.513 177.773 177.300 -0.067 0.000 1.145 191 P CA 0.984 63.999 63.100 -0.142 0.000 0.795 191 P CB 0.018 31.519 31.700 -0.331 0.000 0.775 192 K N -0.961 119.403 120.400 -0.059 0.000 2.437 192 K HA 0.179 4.499 4.320 -0.001 0.000 0.198 192 K C -0.126 176.466 176.600 -0.013 0.000 1.024 192 K CA 0.080 56.354 56.287 -0.022 0.000 1.148 192 K CB -0.253 32.225 32.500 -0.036 0.000 0.860 192 K HN -0.185 nan 8.250 nan 0.000 0.515 193 T N 1.192 115.742 114.554 -0.007 0.000 3.839 193 T HA 0.109 4.459 4.350 -0.001 0.000 0.230 193 T C -1.316 173.395 174.700 0.018 0.000 1.095 193 T CA -0.588 61.507 62.100 -0.009 0.000 1.470 193 T CB 0.942 69.791 68.868 -0.032 0.000 0.881 193 T HN 0.175 nan 8.240 nan 0.000 0.637 194 V N 1.578 121.531 119.914 0.065 0.000 2.398 194 V HA 0.732 4.852 4.120 -0.001 0.000 0.286 194 V C -0.489 175.695 176.094 0.150 0.000 1.026 194 V CA 0.038 62.402 62.300 0.108 0.000 0.868 194 V CB 1.512 33.420 31.823 0.142 0.000 0.982 194 V HN 0.473 nan 8.190 nan 0.000 0.443 195 T N 8.748 123.375 114.554 0.121 0.000 2.771 195 T HA 0.549 4.899 4.350 -0.001 0.000 0.281 195 T C -0.050 174.762 174.700 0.187 0.000 0.982 195 T CA -0.153 62.027 62.100 0.134 0.000 0.978 195 T CB 0.830 69.724 68.868 0.043 0.000 0.930 195 T HN 0.831 nan 8.240 nan 0.000 0.447 196 I N 1.348 121.992 120.570 0.122 0.000 2.428 196 I HA 0.889 5.059 4.170 -0.001 0.000 0.296 196 I C -0.910 175.373 176.117 0.277 0.000 0.985 196 I CA -1.075 60.289 61.300 0.106 0.000 1.260 196 I CB 1.145 38.990 38.000 -0.259 0.000 1.389 196 I HN 0.537 nan 8.210 nan 0.000 0.484 197 F N 2.766 122.741 119.950 0.042 0.000 2.628 197 F HA 0.971 5.497 4.527 -0.001 0.000 0.309 197 F C -0.494 175.319 175.800 0.021 0.000 1.108 197 F CA -0.983 57.083 58.000 0.110 0.000 0.971 197 F CB 1.185 40.351 39.000 0.278 0.000 1.279 197 F HN 0.831 nan 8.300 nan 0.000 0.441 198 G N 1.039 109.751 108.800 -0.147 0.000 2.687 198 G HA2 0.562 4.521 3.960 -0.001 0.000 0.291 198 G HA3 0.562 4.521 3.960 -0.001 0.000 0.291 198 G C -2.311 172.452 174.900 -0.228 0.000 1.420 198 G CA -0.787 43.929 45.100 -0.640 0.000 0.796 198 G HN 0.800 nan 8.290 nan 0.000 0.485 199 E N -0.238 119.771 120.200 -0.318 0.000 2.317 199 E HA 0.576 4.925 4.350 -0.001 0.000 0.270 199 E C 0.489 177.039 176.600 -0.082 0.000 0.885 199 E CA 0.189 56.581 56.400 -0.013 0.000 0.760 199 E CB 2.374 32.198 29.700 0.206 0.000 1.227 199 E HN 0.788 nan 8.360 nan 0.000 0.434 200 S N 2.479 118.190 115.700 0.019 0.000 4.138 200 S HA -0.405 4.064 4.470 -0.001 0.000 0.574 200 S C 1.483 176.134 174.600 0.086 0.000 1.895 200 S CA 2.224 60.483 58.200 0.099 0.000 4.239 200 S CB -1.514 61.665 63.200 -0.035 0.000 0.264 200 S HN 0.896 nan 8.310 nan 0.000 0.489 201 A N 1.046 123.776 122.820 -0.150 0.000 2.019 201 A HA 0.187 4.507 4.320 -0.001 0.000 0.219 201 A C 2.444 179.769 177.584 -0.431 0.000 1.164 201 A CA 2.297 54.038 52.037 -0.493 0.000 0.644 201 A CB -1.497 16.811 19.000 -1.153 0.000 0.805 201 A HN 1.572 nan 8.150 nan 0.000 0.449 202 G N -0.792 107.815 108.800 -0.321 0.000 2.430 202 G HA2 0.132 4.091 3.960 -0.001 0.000 0.216 202 G HA3 0.132 4.091 3.960 -0.001 0.000 0.216 202 G C 1.422 176.157 174.900 -0.275 0.000 1.146 202 G CA 1.045 45.919 45.100 -0.377 0.000 0.793 202 G HN 0.636 nan 8.290 nan 0.000 0.537 203 G N 0.922 109.623 108.800 -0.165 0.000 2.421 203 G HA2 0.139 4.098 3.960 -0.001 0.000 0.217 203 G HA3 0.139 4.098 3.960 -0.001 0.000 0.217 203 G C 1.941 176.764 174.900 -0.129 0.000 1.143 203 G CA 1.318 46.359 45.100 -0.097 0.000 0.784 203 G HN 0.558 nan 8.290 nan 0.000 0.541 204 A N 0.657 123.418 122.820 -0.098 0.000 1.968 204 A HA 0.121 4.441 4.320 -0.001 0.000 0.217 204 A C 2.656 180.188 177.584 -0.088 0.000 1.169 204 A CA 1.997 53.957 52.037 -0.128 0.000 0.638 204 A CB -0.415 18.539 19.000 -0.076 0.000 0.812 204 A HN 0.275 nan 8.150 nan 0.000 0.446 205 S N -0.442 115.218 115.700 -0.067 0.000 2.355 205 S HA -0.119 4.350 4.470 -0.001 0.000 0.222 205 S C 1.898 176.412 174.600 -0.143 0.000 1.031 205 S CA 1.340 59.477 58.200 -0.104 0.000 0.993 205 S CB -0.407 62.698 63.200 -0.157 0.000 0.859 205 S HN 0.323 nan 8.310 nan 0.000 0.453 206 V N 1.618 121.465 119.914 -0.111 0.000 2.332 206 V HA -0.176 3.943 4.120 -0.001 0.000 0.248 206 V C 2.513 178.560 176.094 -0.078 0.000 1.055 206 V CA 2.001 64.250 62.300 -0.086 0.000 1.038 206 V CB -1.292 30.462 31.823 -0.116 0.000 0.651 206 V HN 0.608 nan 8.190 nan 0.000 0.450 207 G N -1.392 107.311 108.800 -0.160 0.000 2.471 207 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.219 207 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.219 207 G C 1.533 176.397 174.900 -0.061 0.000 1.125 207 G CA 0.611 45.574 45.100 -0.227 0.000 0.775 207 G HN 0.466 nan 8.290 nan 0.000 0.548 208 M N -0.310 119.270 119.600 -0.033 0.000 2.447 208 M HA 0.128 4.608 4.480 -0.001 0.000 0.264 208 M C 1.977 178.369 176.300 0.153 0.000 1.095 208 M CA 0.568 55.960 55.300 0.154 0.000 1.125 208 M CB 0.045 32.757 32.600 0.186 0.000 1.389 208 M HN 0.158 nan 8.290 nan 0.000 0.459 209 H N -0.407 118.792 119.070 0.216 0.000 2.512 209 H HA 0.135 4.691 4.556 -0.001 0.000 0.279 209 H C 1.999 177.547 175.328 0.366 0.000 0.999 209 H CA 1.045 57.231 56.048 0.230 0.000 1.283 209 H CB 0.123 29.948 29.762 0.105 0.000 1.421 209 H HN 0.388 nan 8.280 nan 0.000 0.554 210 I N 0.474 121.322 120.570 0.464 0.000 2.439 210 I HA -0.191 3.978 4.170 -0.001 0.000 0.251 210 I C 1.999 178.359 176.117 0.404 0.000 1.139 210 I CA 0.771 62.379 61.300 0.513 0.000 1.438 210 I CB 0.083 38.347 38.000 0.440 0.000 1.085 210 I HN 0.117 nan 8.210 nan 0.000 0.427 211 L N -0.820 120.604 121.223 0.335 0.000 2.168 211 L HA 0.034 4.374 4.340 -0.001 0.000 0.203 211 L C 1.509 178.514 176.870 0.224 0.000 1.078 211 L CA 0.143 55.180 54.840 0.328 0.000 0.780 211 L CB -0.308 41.957 42.059 0.344 0.000 0.939 211 L HN 0.074 nan 8.230 nan 0.000 0.451 212 S N 0.717 116.487 115.700 0.117 0.000 2.481 212 S HA 0.105 4.575 4.470 -0.001 0.000 0.282 212 S C -1.510 172.994 174.600 -0.161 0.000 1.243 212 S CA -1.281 56.809 58.200 -0.185 0.000 1.078 212 S CB 0.892 63.636 63.200 -0.760 0.000 0.916 212 S HN -0.087 nan 8.310 nan 0.000 0.495 213 P HA -0.076 nan 4.420 nan 0.000 0.216 213 P C 1.518 178.732 177.300 -0.144 0.000 1.154 213 P CA 1.421 64.456 63.100 -0.108 0.000 0.865 213 P CB -0.170 31.474 31.700 -0.093 0.000 0.789 214 G N -1.436 107.224 108.800 -0.232 0.000 2.509 214 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.218 214 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.218 214 G C 1.384 176.193 174.900 -0.151 0.000 1.124 214 G CA 0.762 45.739 45.100 -0.206 0.000 0.776 214 G HN 0.252 nan 8.290 nan 0.000 0.547 215 S N -0.251 115.381 115.700 -0.113 0.000 2.497 215 S HA 0.103 4.573 4.470 -0.001 0.000 0.218 215 S C 2.239 176.893 174.600 0.090 0.000 1.023 215 S CA -0.422 57.805 58.200 0.044 0.000 0.913 215 S CB 0.148 63.504 63.200 0.260 0.000 0.800 215 S HN 0.342 nan 8.310 nan 0.000 0.505 216 R N 2.222 122.728 120.500 0.009 0.000 2.140 216 R HA -0.148 4.192 4.340 -0.001 0.000 0.250 216 R C 0.584 176.687 176.300 -0.328 0.000 1.150 216 R CA 1.628 57.644 56.100 -0.140 0.000 0.966 216 R CB -0.842 29.407 30.300 -0.084 0.000 0.869 216 R HN 0.388 nan 8.270 nan 0.000 0.445 217 D N 0.616 120.889 120.400 -0.212 0.000 2.363 217 D HA 0.006 4.645 4.640 -0.001 0.000 0.226 217 D C 1.534 177.695 176.300 -0.232 0.000 1.020 217 D CA 0.525 54.390 54.000 -0.224 0.000 0.892 217 D CB 0.032 40.725 40.800 -0.178 0.000 0.900 217 D HN 0.252 nan 8.370 nan 0.000 0.531 218 L N -0.144 120.979 121.223 -0.167 0.000 2.592 218 L HA 0.170 4.509 4.340 -0.001 0.000 0.227 218 L C -0.071 176.915 176.870 0.192 0.000 1.127 218 L CA -0.042 54.779 54.840 -0.032 0.000 0.884 218 L CB -0.255 41.815 42.059 0.018 0.000 1.065 218 L HN -0.060 nan 8.230 nan 0.000 0.457 219 F N -4.266 115.688 119.950 0.007 0.000 2.713 219 F HA 0.560 5.087 4.527 -0.000 0.000 0.311 219 F C 0.370 176.192 175.800 0.037 0.000 1.141 219 F CA -1.323 56.697 58.000 0.033 0.000 0.939 219 F CB 1.169 40.188 39.000 0.032 0.000 1.325 219 F HN -0.392 nan 8.300 nan 0.000 0.453 220 R N 0.662 121.252 120.500 0.150 0.000 2.087 220 R HA 0.485 4.824 4.340 -0.001 0.000 0.213 220 R C 0.006 176.376 176.300 0.117 0.000 1.137 220 R CA 0.914 57.035 56.100 0.034 0.000 1.022 220 R CB 0.286 30.597 30.300 0.018 0.000 0.920 220 R HN 0.785 nan 8.270 nan 0.000 0.451 221 R N -1.231 119.407 120.500 0.230 0.000 2.930 221 R HA 0.772 5.112 4.340 -0.001 0.000 0.257 221 R C -1.468 175.048 176.300 0.360 0.000 1.107 221 R CA -0.720 55.514 56.100 0.225 0.000 0.999 221 R CB 2.208 32.455 30.300 -0.088 0.000 1.209 221 R HN 0.229 nan 8.270 nan 0.000 0.486 222 A N 1.182 124.204 122.820 0.336 0.000 2.549 222 A HA 0.674 4.993 4.320 -0.001 0.000 0.297 222 A C -1.232 176.479 177.584 0.212 0.000 1.061 222 A CA -0.620 51.555 52.037 0.230 0.000 0.690 222 A CB 1.245 20.345 19.000 0.167 0.000 1.287 222 A HN 0.567 nan 8.150 nan 0.000 0.402 223 I N 1.752 122.413 120.570 0.152 0.000 2.466 223 I HA 0.409 4.578 4.170 -0.001 0.000 0.289 223 I C -1.437 174.751 176.117 0.118 0.000 1.026 223 I CA -0.619 60.710 61.300 0.049 0.000 1.078 223 I CB 1.879 39.861 38.000 -0.030 0.000 1.249 223 I HN 0.425 nan 8.210 nan 0.000 0.429 224 L N 6.589 127.852 121.223 0.067 0.000 2.325 224 L HA 0.453 4.793 4.340 -0.001 0.000 0.281 224 L C -0.486 176.481 176.870 0.162 0.000 1.004 224 L CA -0.247 54.637 54.840 0.073 0.000 0.823 224 L CB 1.620 43.663 42.059 -0.026 0.000 1.236 224 L HN 0.496 nan 8.230 nan 0.000 0.415 225 Q N 1.873 121.811 119.800 0.230 0.000 2.333 225 Q HA 0.477 4.817 4.340 -0.001 0.000 0.265 225 Q C 0.001 176.128 176.000 0.213 0.000 0.989 225 Q CA -0.615 55.384 55.803 0.326 0.000 0.842 225 Q CB 1.587 30.620 28.738 0.493 0.000 1.262 225 Q HN 0.638 nan 8.270 nan 0.000 0.451 226 S N 0.987 116.799 115.700 0.186 0.000 3.549 226 S HA -0.167 4.302 4.470 -0.001 0.000 0.366 226 S C 0.028 174.767 174.600 0.232 0.000 1.012 226 S CA 0.625 58.949 58.200 0.205 0.000 1.141 226 S CB -1.161 62.193 63.200 0.257 0.000 0.910 226 S HN 0.994 nan 8.310 nan 0.000 0.471 227 G N -0.322 108.561 108.800 0.138 0.000 2.633 227 G HA2 0.568 4.528 3.960 -0.001 0.000 0.299 227 G HA3 0.568 4.528 3.960 -0.001 0.000 0.299 227 G C -0.957 173.902 174.900 -0.068 0.000 1.501 227 G CA 0.111 45.294 45.100 0.138 0.000 0.887 227 G HN 1.099 nan 8.290 nan 0.000 0.561 228 S N 1.581 117.162 115.700 -0.199 0.000 2.588 228 S HA 0.812 5.282 4.470 -0.001 0.000 0.275 228 S C -1.897 172.414 174.600 -0.482 0.000 1.130 228 S CA -1.079 56.863 58.200 -0.431 0.000 0.855 228 S CB 3.076 66.010 63.200 -0.443 0.000 1.116 228 S HN 0.428 nan 8.310 nan 0.000 0.472 229 P HA -0.160 nan 4.420 nan 0.000 0.216 229 P C 0.537 177.585 177.300 -0.421 0.000 1.150 229 P CA 1.454 64.299 63.100 -0.426 0.000 0.843 229 P CB -0.366 31.115 31.700 -0.365 0.000 0.787 230 N N -0.715 117.767 118.700 -0.362 0.000 2.362 230 N HA -0.003 4.736 4.740 -0.001 0.000 0.211 230 N C -0.179 175.102 175.510 -0.381 0.000 1.170 230 N CA -0.266 52.609 53.050 -0.291 0.000 0.828 230 N CB -1.383 37.045 38.487 -0.097 0.000 1.034 230 N HN 0.043 nan 8.380 nan 0.000 0.475 231 C N 2.592 121.543 119.300 -0.581 0.000 2.637 231 C HA 0.173 4.632 4.460 -0.001 0.000 0.418 231 C C -0.255 174.259 174.990 -0.794 0.000 1.319 231 C CA -1.019 57.527 59.018 -0.787 0.000 1.949 231 C CB 1.278 28.233 27.740 -1.308 0.000 2.639 231 C HN 0.365 nan 8.230 nan 0.000 0.594 232 P HA -0.118 nan 4.420 nan 0.000 0.226 232 P C 1.031 178.144 177.300 -0.312 0.000 1.146 232 P CA 1.744 64.581 63.100 -0.438 0.000 0.773 232 P CB -0.042 31.408 31.700 -0.416 0.000 0.772 233 W N -1.823 119.343 121.300 -0.223 0.000 3.058 233 W HA 0.562 5.222 4.660 -0.000 0.000 0.306 233 W C 1.214 177.769 176.519 0.059 0.000 1.188 233 W CA 0.362 57.650 57.345 -0.094 0.000 1.651 233 W CB -0.930 28.502 29.460 -0.048 0.000 1.051 233 W HN -0.132 nan 8.180 nan 0.000 0.592 234 A N 1.541 124.040 122.820 -0.536 0.000 2.167 234 A HA 0.174 4.494 4.320 -0.001 0.000 0.214 234 A C 1.008 178.431 177.584 -0.268 0.000 1.151 234 A CA 1.230 53.081 52.037 -0.310 0.000 0.735 234 A CB -0.576 17.986 19.000 -0.730 0.000 0.802 234 A HN 0.237 nan 8.150 nan 0.000 0.467 235 S N -1.850 113.682 115.700 -0.280 0.000 2.588 235 S HA 0.639 5.108 4.470 -0.001 0.000 0.269 235 S C -0.798 173.676 174.600 -0.211 0.000 1.157 235 S CA -0.075 57.958 58.200 -0.279 0.000 0.824 235 S CB 1.284 64.257 63.200 -0.377 0.000 1.126 235 S HN 1.349 nan 8.310 nan 0.000 0.464 236 V N -0.971 118.837 119.914 -0.176 0.000 3.160 236 V HA 0.948 5.067 4.120 -0.001 0.000 0.310 236 V C 0.121 176.143 176.094 -0.120 0.000 1.181 236 V CA -0.458 61.761 62.300 -0.136 0.000 1.047 236 V CB 1.130 32.887 31.823 -0.110 0.000 1.068 236 V HN 1.533 nan 8.190 nan 0.000 0.441 237 S N 0.460 116.098 115.700 -0.102 0.000 2.614 237 S HA 0.376 4.846 4.470 -0.001 0.000 0.265 237 S C 1.262 175.814 174.600 -0.080 0.000 1.303 237 S CA 0.007 58.152 58.200 -0.092 0.000 1.000 237 S CB 1.258 64.412 63.200 -0.077 0.000 0.935 237 S HN 2.135 nan 8.310 nan 0.000 0.551 238 V N -1.187 118.669 119.914 -0.095 0.000 2.594 238 V HA 0.016 4.136 4.120 -0.001 0.000 0.253 238 V C 2.434 178.507 176.094 -0.035 0.000 1.069 238 V CA 1.611 63.860 62.300 -0.084 0.000 1.082 238 V CB -1.984 29.728 31.823 -0.185 0.000 0.680 238 V HN 0.989 nan 8.190 nan 0.000 0.469 239 A N 0.711 123.506 122.820 -0.041 0.000 1.873 239 A HA -0.166 4.154 4.320 -0.001 0.000 0.215 239 A C 2.214 179.776 177.584 -0.037 0.000 1.186 239 A CA 1.854 53.874 52.037 -0.027 0.000 0.616 239 A CB -0.626 18.357 19.000 -0.029 0.000 0.823 239 A HN 0.601 nan 8.150 nan 0.000 0.442 240 E N 0.183 120.351 120.200 -0.053 0.000 2.152 240 E HA -0.003 4.346 4.350 -0.001 0.000 0.192 240 E C 1.899 178.460 176.600 -0.065 0.000 0.983 240 E CA 1.342 57.699 56.400 -0.072 0.000 0.818 240 E CB -0.728 28.918 29.700 -0.090 0.000 0.758 240 E HN 0.398 nan 8.360 nan 0.000 0.467 241 G N 0.580 109.355 108.800 -0.042 0.000 2.402 241 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.216 241 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.216 241 G C 1.767 176.675 174.900 0.013 0.000 1.162 241 G CA 0.750 45.846 45.100 -0.006 0.000 0.777 241 G HN 0.308 nan 8.290 nan 0.000 0.539 242 R N 0.190 120.693 120.500 0.005 0.000 2.075 242 R HA 0.028 4.368 4.340 -0.001 0.000 0.232 242 R C 2.562 178.858 176.300 -0.005 0.000 1.126 242 R CA 1.142 57.247 56.100 0.007 0.000 0.963 242 R CB -0.325 29.983 30.300 0.014 0.000 0.858 242 R HN 0.243 nan 8.270 nan 0.000 0.435 243 R N 0.647 121.133 120.500 -0.023 0.000 2.105 243 R HA -0.124 4.216 4.340 -0.001 0.000 0.239 243 R C 1.988 178.265 176.300 -0.038 0.000 1.135 243 R CA 1.663 57.741 56.100 -0.036 0.000 0.967 243 R CB -0.064 30.201 30.300 -0.059 0.000 0.861 243 R HN 0.288 nan 8.270 nan 0.000 0.442 244 R N -0.527 119.948 120.500 -0.043 0.000 2.119 244 R HA 0.040 4.379 4.340 -0.001 0.000 0.222 244 R C 2.276 178.632 176.300 0.093 0.000 1.088 244 R CA 0.909 56.984 56.100 -0.042 0.000 0.984 244 R CB -0.135 30.060 30.300 -0.175 0.000 0.884 244 R HN 0.196 nan 8.270 nan 0.000 0.447 245 A N 0.829 123.709 122.820 0.100 0.000 1.898 245 A HA -0.098 4.222 4.320 -0.001 0.000 0.216 245 A C 2.302 179.891 177.584 0.009 0.000 1.181 245 A CA 1.221 53.297 52.037 0.064 0.000 0.620 245 A CB -0.459 18.530 19.000 -0.019 0.000 0.819 245 A HN 0.083 nan 8.150 nan 0.000 0.442 246 V N -0.063 119.852 119.914 0.003 0.000 2.295 246 V HA -0.229 3.891 4.120 -0.001 0.000 0.246 246 V C 2.600 178.697 176.094 0.005 0.000 1.049 246 V CA 2.391 64.689 62.300 -0.004 0.000 1.024 246 V CB -0.723 31.096 31.823 -0.007 0.000 0.648 246 V HN 0.657 nan 8.190 nan 0.000 0.447 247 E N 0.185 120.389 120.200 0.007 0.000 2.110 247 E HA -0.222 4.128 4.350 -0.001 0.000 0.193 247 E C 1.899 178.518 176.600 0.032 0.000 0.988 247 E CA 1.150 57.556 56.400 0.009 0.000 0.804 247 E CB -0.445 29.248 29.700 -0.011 0.000 0.745 247 E HN 0.449 nan 8.360 nan 0.000 0.458 248 L N -0.325 120.935 121.223 0.063 0.000 2.017 248 L HA -0.011 4.328 4.340 -0.001 0.000 0.208 248 L C 2.159 179.048 176.870 0.031 0.000 1.073 248 L CA 2.475 57.363 54.840 0.081 0.000 0.745 248 L CB -1.046 41.082 42.059 0.115 0.000 0.894 248 L HN 0.208 nan 8.230 nan 0.000 0.432 249 G N -1.076 107.730 108.800 0.010 0.000 2.422 249 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.218 249 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.218 249 G C 1.815 176.725 174.900 0.018 0.000 1.140 249 G CA 0.649 45.753 45.100 0.007 0.000 0.775 249 G HN 0.419 nan 8.290 nan 0.000 0.545 250 R N 0.346 120.857 120.500 0.018 0.000 2.115 250 R HA 0.017 4.356 4.340 -0.001 0.000 0.230 250 R C 2.127 178.442 176.300 0.026 0.000 1.111 250 R CA 0.967 57.079 56.100 0.019 0.000 0.976 250 R CB -0.266 30.042 30.300 0.014 0.000 0.870 250 R HN 0.274 nan 8.270 nan 0.000 0.445 251 N N 0.345 119.064 118.700 0.032 0.000 2.396 251 N HA -0.096 4.643 4.740 -0.001 0.000 0.180 251 N C 0.903 176.438 175.510 0.042 0.000 1.028 251 N CA 0.857 53.931 53.050 0.040 0.000 0.893 251 N CB 0.196 38.714 38.487 0.051 0.000 0.967 251 N HN 0.262 nan 8.380 nan 0.000 0.440 252 L N 1.047 122.293 121.223 0.038 0.000 2.818 252 L HA 0.195 4.535 4.340 -0.001 0.000 0.243 252 L C -0.439 176.454 176.870 0.037 0.000 1.185 252 L CA -0.205 54.660 54.840 0.040 0.000 0.988 252 L CB -0.120 41.963 42.059 0.040 0.000 1.292 252 L HN 0.016 nan 8.230 nan 0.000 0.519 253 N N 0.162 118.882 118.700 0.033 0.000 2.667 253 N HA -0.218 4.521 4.740 -0.001 0.000 0.263 253 N C -0.071 175.459 175.510 0.034 0.000 1.038 253 N CA 1.107 54.176 53.050 0.031 0.000 0.749 253 N CB -1.755 36.750 38.487 0.031 0.000 0.892 253 N HN 0.526 nan 8.380 nan 0.000 0.546 254 C N 0.721 120.040 119.300 0.032 0.000 2.397 254 C HA 0.581 5.040 4.460 -0.001 0.000 0.343 254 C C 1.111 176.121 174.990 0.033 0.000 1.188 254 C CA -0.842 58.199 59.018 0.039 0.000 1.992 254 C CB 1.209 28.972 27.740 0.039 0.000 2.358 254 C HN 0.529 nan 8.230 nan 0.000 0.518 255 N N 2.693 121.416 118.700 0.038 0.000 2.438 255 N HA 0.181 4.921 4.740 -0.001 0.000 0.267 255 N C 0.248 175.771 175.510 0.022 0.000 1.222 255 N CA 0.180 53.246 53.050 0.027 0.000 0.930 255 N CB 0.359 38.862 38.487 0.026 0.000 1.083 255 N HN 0.653 nan 8.380 nan 0.000 0.476 256 L N 2.838 124.070 121.223 0.015 0.000 2.791 256 L HA 0.199 4.539 4.340 -0.001 0.000 0.239 256 L C 1.252 178.125 176.870 0.006 0.000 1.203 256 L CA -0.305 54.541 54.840 0.009 0.000 1.002 256 L CB -0.223 41.840 42.059 0.007 0.000 1.295 256 L HN 0.405 nan 8.230 nan 0.000 0.504 257 N N 0.671 119.375 118.700 0.006 0.000 2.309 257 N HA -0.063 4.676 4.740 -0.001 0.000 0.182 257 N C 0.724 176.235 175.510 0.002 0.000 1.018 257 N CA 0.869 53.920 53.050 0.003 0.000 0.876 257 N CB 0.286 38.773 38.487 0.001 0.000 0.972 257 N HN 0.482 nan 8.380 nan 0.000 0.434 258 S N -1.519 114.183 115.700 0.003 0.000 2.588 258 S HA 0.324 4.794 4.470 -0.001 0.000 0.269 258 S C -0.133 174.470 174.600 0.004 0.000 1.157 258 S CA -0.858 57.343 58.200 0.002 0.000 0.824 258 S CB 1.633 64.833 63.200 0.000 0.000 1.126 258 S HN -0.244 nan 8.310 nan 0.000 0.464 259 D N 1.174 121.575 120.400 0.001 0.000 2.133 259 D HA -0.081 4.558 4.640 -0.001 0.000 0.195 259 D C 1.522 177.831 176.300 0.014 0.000 0.997 259 D CA 1.940 55.940 54.000 -0.001 0.000 0.840 259 D CB -0.238 40.558 40.800 -0.006 0.000 0.947 259 D HN 0.689 nan 8.370 nan 0.000 0.452 260 E N 0.515 120.728 120.200 0.021 0.000 2.077 260 E HA -0.154 4.196 4.350 -0.001 0.000 0.193 260 E C 1.963 178.600 176.600 0.061 0.000 0.989 260 E CA 0.871 57.296 56.400 0.041 0.000 0.800 260 E CB -0.225 29.489 29.700 0.023 0.000 0.746 260 E HN 0.216 nan 8.360 nan 0.000 0.452 261 E N 0.207 120.427 120.200 0.034 0.000 2.023 261 E HA -0.172 4.178 4.350 -0.001 0.000 0.196 261 E C 1.842 178.488 176.600 0.076 0.000 1.003 261 E CA 0.763 57.186 56.400 0.038 0.000 0.809 261 E CB -0.349 29.361 29.700 0.016 0.000 0.755 261 E HN 0.187 nan 8.360 nan 0.000 0.449 262 L N 0.479 121.730 121.223 0.046 0.000 1.976 262 L HA -0.131 4.209 4.340 -0.001 0.000 0.209 262 L C 2.153 179.051 176.870 0.047 0.000 1.071 262 L CA 1.743 56.603 54.840 0.033 0.000 0.746 262 L CB -0.672 41.383 42.059 -0.006 0.000 0.890 262 L HN 0.258 nan 8.230 nan 0.000 0.432 263 I N -0.701 119.894 120.570 0.042 0.000 2.151 263 I HA -0.376 3.794 4.170 -0.001 0.000 0.243 263 I C 2.659 178.865 176.117 0.147 0.000 1.080 263 I CA 1.780 63.123 61.300 0.072 0.000 1.339 263 I CB -0.870 37.175 38.000 0.076 0.000 1.039 263 I HN 0.516 nan 8.210 nan 0.000 0.409 264 H N 1.416 120.526 119.070 0.066 0.000 2.352 264 H HA -0.257 4.298 4.556 -0.001 0.000 0.299 264 H C 2.339 177.707 175.328 0.067 0.000 1.097 264 H CA 2.286 58.373 56.048 0.065 0.000 1.311 264 H CB -0.134 29.653 29.762 0.042 0.000 1.377 264 H HN 0.638 nan 8.280 nan 0.000 0.504 265 C N 1.429 120.832 119.300 0.172 0.000 2.440 265 C HA 0.041 4.500 4.460 -0.001 0.000 0.278 265 C C 3.138 178.154 174.990 0.044 0.000 1.295 265 C CA 0.745 59.830 59.018 0.111 0.000 1.738 265 C CB -1.209 26.606 27.740 0.125 0.000 1.987 265 C HN 0.527 nan 8.230 nan 0.000 0.492 266 L N -0.394 120.878 121.223 0.082 0.000 2.291 266 L HA -0.077 4.262 4.340 -0.001 0.000 0.214 266 L C 2.924 179.892 176.870 0.164 0.000 1.120 266 L CA 0.858 55.784 54.840 0.144 0.000 0.799 266 L CB -0.404 41.767 42.059 0.186 0.000 0.925 266 L HN 0.418 nan 8.230 nan 0.000 0.446 267 R N -0.443 120.105 120.500 0.079 0.000 2.193 267 R HA -0.056 4.283 4.340 -0.001 0.000 0.213 267 R C 1.589 177.834 176.300 -0.092 0.000 1.055 267 R CA 0.473 56.553 56.100 -0.033 0.000 0.995 267 R CB 0.090 30.350 30.300 -0.067 0.000 0.893 267 R HN 0.232 nan 8.270 nan 0.000 0.459 268 E N 0.735 120.861 120.200 -0.123 0.000 2.481 268 E HA 0.013 4.362 4.350 -0.001 0.000 0.195 268 E C -0.010 176.576 176.600 -0.022 0.000 1.047 268 E CA 0.580 56.923 56.400 -0.095 0.000 0.867 268 E CB 0.219 29.853 29.700 -0.109 0.000 0.858 268 E HN 0.059 nan 8.360 nan 0.000 0.513 269 K N 1.303 121.707 120.400 0.007 0.000 2.185 269 K HA 0.231 4.551 4.320 -0.001 0.000 0.271 269 K C 0.399 177.031 176.600 0.054 0.000 1.013 269 K CA -0.291 56.019 56.287 0.038 0.000 0.943 269 K CB 1.130 33.665 32.500 0.058 0.000 0.998 269 K HN -0.112 nan 8.250 nan 0.000 0.468 270 K N 2.439 122.876 120.400 0.061 0.000 2.270 270 K HA 0.062 4.382 4.320 -0.001 0.000 0.276 270 K C -1.633 175.046 176.600 0.132 0.000 1.023 270 K CA -1.578 54.749 56.287 0.068 0.000 0.955 270 K CB 0.313 32.845 32.500 0.054 0.000 0.975 270 K HN 0.168 nan 8.250 nan 0.000 0.471 271 P HA -0.258 nan 4.420 nan 0.000 0.217 271 P C 1.065 178.565 177.300 0.333 0.000 1.158 271 P CA 1.320 64.613 63.100 0.322 0.000 0.887 271 P CB 0.249 31.964 31.700 0.026 0.000 0.792 272 Q N -0.163 119.748 119.800 0.183 0.000 2.439 272 Q HA -0.164 4.176 4.340 -0.001 0.000 0.211 272 Q C 1.680 177.774 176.000 0.157 0.000 0.978 272 Q CA 1.456 57.358 55.803 0.166 0.000 0.897 272 Q CB -0.765 28.037 28.738 0.108 0.000 0.956 272 Q HN 0.397 nan 8.270 nan 0.000 0.483 273 E N -1.147 119.137 120.200 0.140 0.000 2.170 273 E HA -0.084 4.266 4.350 -0.001 0.000 0.191 273 E C 1.370 178.032 176.600 0.103 0.000 0.981 273 E CA 0.508 56.974 56.400 0.110 0.000 0.830 273 E CB 0.103 29.855 29.700 0.086 0.000 0.775 273 E HN 0.239 nan 8.360 nan 0.000 0.470 274 L N 0.746 122.026 121.223 0.095 0.000 2.156 274 L HA -0.070 4.270 4.340 -0.001 0.000 0.208 274 L C 2.151 179.052 176.870 0.051 0.000 1.095 274 L CA 1.245 56.091 54.840 0.009 0.000 0.770 274 L CB -0.233 41.726 42.059 -0.167 0.000 0.914 274 L HN 0.127 nan 8.230 nan 0.000 0.439 275 I N -0.765 119.897 120.570 0.152 0.000 2.439 275 I HA -0.197 3.972 4.170 -0.001 0.000 0.251 275 I C 1.692 177.976 176.117 0.278 0.000 1.139 275 I CA 0.717 62.163 61.300 0.242 0.000 1.438 275 I CB -0.299 37.903 38.000 0.337 0.000 1.085 275 I HN 0.214 nan 8.210 nan 0.000 0.427 276 D N 0.553 121.086 120.400 0.222 0.000 2.264 276 D HA -0.096 4.544 4.640 -0.001 0.000 0.208 276 D C 1.867 178.293 176.300 0.210 0.000 0.966 276 D CA 1.335 55.468 54.000 0.221 0.000 0.864 276 D CB 0.251 41.146 40.800 0.157 0.000 0.933 276 D HN 0.371 nan 8.370 nan 0.000 0.499 277 V N -2.325 117.692 119.914 0.171 0.000 3.477 277 V HA 0.189 4.309 4.120 -0.001 0.000 0.297 277 V C 1.778 177.957 176.094 0.142 0.000 1.433 277 V CA -0.042 62.347 62.300 0.148 0.000 1.052 277 V CB 0.364 32.250 31.823 0.106 0.000 0.895 277 V HN -0.068 nan 8.190 nan 0.000 0.438 278 E N 0.985 121.265 120.200 0.133 0.000 2.097 278 E HA -0.276 4.074 4.350 -0.001 0.000 0.196 278 E C 1.509 178.049 176.600 -0.100 0.000 1.000 278 E CA 2.579 59.020 56.400 0.069 0.000 0.804 278 E CB -0.250 29.438 29.700 -0.020 0.000 0.740 278 E HN 0.787 nan 8.360 nan 0.000 0.454 279 W N 0.841 122.136 121.300 -0.008 0.000 2.937 279 W HA 0.070 4.729 4.660 -0.000 0.000 0.245 279 W C 1.419 177.903 176.519 -0.057 0.000 1.306 279 W CA -0.038 57.257 57.345 -0.082 0.000 1.470 279 W CB 0.070 29.442 29.460 -0.146 0.000 1.132 279 W HN 0.090 nan 8.180 nan 0.000 0.675 280 N N 0.169 118.954 118.700 0.143 0.000 2.521 280 N HA -0.072 4.667 4.740 -0.001 0.000 0.188 280 N C 1.622 177.144 175.510 0.019 0.000 1.146 280 N CA 1.149 54.249 53.050 0.085 0.000 0.893 280 N CB -0.215 38.320 38.487 0.080 0.000 0.975 280 N HN 0.262 nan 8.380 nan 0.000 0.451 281 V N -2.455 117.438 119.914 -0.036 0.000 3.621 281 V HA 0.278 4.397 4.120 -0.001 0.000 0.285 281 V C 0.732 176.732 176.094 -0.156 0.000 1.346 281 V CA -0.160 62.079 62.300 -0.100 0.000 1.104 281 V CB -0.514 31.226 31.823 -0.139 0.000 0.913 281 V HN -0.036 nan 8.190 nan 0.000 0.432 282 L N 2.738 123.887 121.223 -0.124 0.000 2.490 282 L HA 0.190 4.530 4.340 -0.001 0.000 0.274 282 L C -0.189 176.575 176.870 -0.177 0.000 1.201 282 L CA -0.813 53.947 54.840 -0.133 0.000 0.869 282 L CB 0.677 42.720 42.059 -0.026 0.000 1.123 282 L HN 0.173 nan 8.230 nan 0.000 0.484 283 P HA -0.093 nan 4.420 nan 0.000 0.219 283 P C -0.109 176.780 177.300 -0.685 0.000 1.150 283 P CA 1.301 64.042 63.100 -0.599 0.000 0.814 283 P CB 0.251 31.409 31.700 -0.903 0.000 0.787 284 F N -0.625 119.324 119.950 -0.002 0.000 2.631 284 F HA 0.397 4.924 4.527 -0.001 0.000 0.328 284 F C 0.425 176.233 175.800 0.013 0.000 1.067 284 F CA -1.673 56.333 58.000 0.009 0.000 0.969 284 F CB 0.127 39.138 39.000 0.019 0.000 1.332 284 F HN -0.347 nan 8.300 nan 0.000 0.490 285 D N 1.104 121.648 120.400 0.241 0.000 2.339 285 D HA 0.424 5.063 4.640 -0.001 0.000 0.256 285 D C -0.647 175.731 176.300 0.131 0.000 1.214 285 D CA 0.364 54.443 54.000 0.132 0.000 0.877 285 D CB 0.536 41.394 40.800 0.095 0.000 1.111 285 D HN 0.619 nan 8.370 nan 0.000 0.478 286 S N 3.000 118.763 115.700 0.105 0.000 2.688 286 S HA 0.635 5.104 4.470 -0.001 0.000 0.275 286 S C -0.728 173.910 174.600 0.062 0.000 1.175 286 S CA -0.994 57.260 58.200 0.089 0.000 0.818 286 S CB 1.021 64.297 63.200 0.127 0.000 1.157 286 S HN 0.452 nan 8.310 nan 0.000 0.482 287 I N 0.539 121.144 120.570 0.058 0.000 2.730 287 I HA 0.605 4.774 4.170 -0.001 0.000 0.298 287 I C -1.040 175.126 176.117 0.082 0.000 1.089 287 I CA -0.924 60.421 61.300 0.076 0.000 1.041 287 I CB 1.612 39.655 38.000 0.071 0.000 1.235 287 I HN 0.880 nan 8.210 nan 0.000 0.423 288 F N 5.341 125.206 119.950 -0.142 0.000 3.074 288 F HA -0.217 4.310 4.527 -0.001 0.000 0.287 288 F C -0.677 174.667 175.800 -0.760 0.000 0.932 288 F CA 0.537 58.227 58.000 -0.516 0.000 0.995 288 F CB -0.671 37.901 39.000 -0.714 0.000 0.966 288 F HN 0.451 nan 8.300 nan 0.000 0.721 289 R N 0.451 120.566 120.500 -0.641 0.000 2.725 289 R HA 0.677 5.017 4.340 -0.001 0.000 0.277 289 R C -1.066 174.770 176.300 -0.774 0.000 0.987 289 R CA -0.587 55.146 56.100 -0.612 0.000 0.901 289 R CB 1.530 31.749 30.300 -0.135 0.000 1.207 289 R HN -0.009 nan 8.270 nan 0.000 0.463 290 F N -0.905 119.144 119.950 0.164 0.000 2.576 290 F HA 0.376 4.903 4.527 -0.001 0.000 0.313 290 F C 1.543 177.211 175.800 -0.220 0.000 1.078 290 F CA -0.866 57.119 58.000 -0.026 0.000 0.921 290 F CB 1.690 40.775 39.000 0.143 0.000 1.232 290 F HN 0.358 nan 8.300 nan 0.000 0.459 291 S N 0.623 116.116 115.700 -0.345 0.000 2.354 291 S HA -0.090 4.380 4.470 -0.001 0.000 0.219 291 S C 0.071 174.149 174.600 -0.871 0.000 1.035 291 S CA 1.378 59.149 58.200 -0.715 0.000 1.037 291 S CB -0.297 62.304 63.200 -0.998 0.000 0.956 291 S HN 0.360 nan 8.310 nan 0.000 0.428 292 F N 1.586 121.516 119.950 -0.032 0.000 2.347 292 F HA 0.568 5.095 4.527 -0.001 0.000 0.366 292 F C 0.028 175.820 175.800 -0.013 0.000 1.107 292 F CA -0.970 57.049 58.000 0.032 0.000 1.058 292 F CB 1.063 40.117 39.000 0.091 0.000 1.236 292 F HN -0.058 nan 8.300 nan 0.000 0.456 293 V N 0.692 120.573 119.914 -0.054 0.000 3.158 293 V HA 0.765 4.884 4.120 -0.001 0.000 0.311 293 V C -2.873 172.950 176.094 -0.452 0.000 1.181 293 V CA -3.338 58.653 62.300 -0.515 0.000 1.054 293 V CB 1.942 33.632 31.823 -0.221 0.000 1.085 293 V HN 0.265 nan 8.190 nan 0.000 0.446 294 P HA 0.239 nan 4.420 nan 0.000 0.267 294 P C -0.925 176.300 177.300 -0.125 0.000 1.201 294 P CA 0.316 63.258 63.100 -0.264 0.000 0.775 294 P CB 0.642 32.117 31.700 -0.375 0.000 0.854 295 V N 4.041 123.968 119.914 0.020 0.000 2.638 295 V HA 0.328 4.448 4.120 -0.001 0.000 0.306 295 V C -0.660 175.484 176.094 0.083 0.000 1.052 295 V CA -1.020 61.278 62.300 -0.003 0.000 0.885 295 V CB 1.447 33.277 31.823 0.011 0.000 0.999 295 V HN 0.225 nan 8.190 nan 0.000 0.424 296 I N 7.101 127.653 120.570 -0.029 0.000 2.573 296 I HA 0.180 4.349 4.170 -0.001 0.000 0.295 296 I C 0.927 177.057 176.117 0.022 0.000 1.141 296 I CA 0.497 61.813 61.300 0.026 0.000 1.364 296 I CB -0.194 37.739 38.000 -0.112 0.000 1.447 296 I HN 0.867 nan 8.210 nan 0.000 0.571 297 D N 3.433 123.903 120.400 0.117 0.000 2.379 297 D HA 0.093 4.733 4.640 -0.001 0.000 0.208 297 D C 1.340 177.655 176.300 0.025 0.000 1.065 297 D CA 0.595 54.570 54.000 -0.043 0.000 0.848 297 D CB 0.552 41.407 40.800 0.091 0.000 0.949 297 D HN 0.662 nan 8.370 nan 0.000 0.509 298 G N 0.385 109.252 108.800 0.111 0.000 2.159 298 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.256 298 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.256 298 G C 0.652 175.622 174.900 0.116 0.000 0.977 298 G CA 0.656 45.821 45.100 0.108 0.000 0.652 298 G HN 0.474 nan 8.290 nan 0.000 0.531 299 E N -1.535 118.744 120.200 0.132 0.000 2.949 299 E HA 0.395 4.744 4.350 -0.001 0.000 0.182 299 E C 1.722 178.334 176.600 0.021 0.000 1.154 299 E CA -0.261 56.189 56.400 0.084 0.000 1.205 299 E CB -0.081 29.687 29.700 0.112 0.000 1.865 299 E HN 0.156 nan 8.360 nan 0.000 0.516 300 F N 1.093 120.952 119.950 -0.152 0.000 2.120 300 F HA -0.078 4.448 4.527 -0.001 0.000 0.300 300 F C 0.238 175.725 175.800 -0.522 0.000 1.095 300 F CA 1.269 59.030 58.000 -0.400 0.000 1.249 300 F CB 0.240 38.877 39.000 -0.606 0.000 0.995 300 F HN -0.104 nan 8.300 nan 0.000 0.480 301 F N 0.477 120.565 119.950 0.231 0.000 2.375 301 F HA 0.354 4.880 4.527 -0.001 0.000 0.361 301 F C -1.555 174.282 175.800 0.062 0.000 1.117 301 F CA -2.911 55.166 58.000 0.128 0.000 1.037 301 F CB 0.564 39.632 39.000 0.114 0.000 1.192 301 F HN -0.248 nan 8.300 nan 0.000 0.452 302 P HA -0.141 nan 4.420 nan 0.000 0.214 302 P C 0.674 178.034 177.300 0.101 0.000 1.169 302 P CA 2.165 65.326 63.100 0.101 0.000 0.908 302 P CB 0.165 31.904 31.700 0.066 0.000 0.791 303 T N -5.394 109.223 114.554 0.105 0.000 2.572 303 T HA 0.460 4.809 4.350 -0.001 0.000 0.244 303 T C 0.023 174.756 174.700 0.055 0.000 0.860 303 T CA -0.493 61.646 62.100 0.066 0.000 1.125 303 T CB 0.326 69.221 68.868 0.044 0.000 1.491 303 T HN 0.014 nan 8.240 nan 0.000 0.532 304 S N 0.088 115.799 115.700 0.018 0.000 2.584 304 S HA 0.361 4.831 4.470 -0.001 0.000 0.273 304 S C 1.437 176.025 174.600 -0.019 0.000 1.311 304 S CA -0.894 57.293 58.200 -0.023 0.000 1.034 304 S CB -0.032 63.151 63.200 -0.029 0.000 0.939 304 S HN 0.630 nan 8.310 nan 0.000 0.513 305 L N 0.563 121.736 121.223 -0.083 0.000 2.042 305 L HA -0.118 4.222 4.340 -0.001 0.000 0.210 305 L C 2.897 179.778 176.870 0.018 0.000 1.076 305 L CA 1.823 56.626 54.840 -0.060 0.000 0.749 305 L CB -0.705 41.255 42.059 -0.165 0.000 0.893 305 L HN 0.761 nan 8.230 nan 0.000 0.432 306 E N 0.509 120.719 120.200 0.017 0.000 2.110 306 E HA -0.189 4.161 4.350 -0.001 0.000 0.193 306 E C 2.287 178.933 176.600 0.077 0.000 0.988 306 E CA 1.630 58.073 56.400 0.072 0.000 0.804 306 E CB -0.102 29.636 29.700 0.063 0.000 0.745 306 E HN 0.491 nan 8.360 nan 0.000 0.458 307 S N -0.755 114.976 115.700 0.052 0.000 2.428 307 S HA -0.094 4.375 4.470 -0.001 0.000 0.230 307 S C 2.074 176.708 174.600 0.057 0.000 1.014 307 S CA 0.968 59.197 58.200 0.049 0.000 0.957 307 S CB -0.271 62.949 63.200 0.032 0.000 0.784 307 S HN 0.219 nan 8.310 nan 0.000 0.499 308 M N 0.944 120.591 119.600 0.078 0.000 2.132 308 M HA 0.091 4.571 4.480 -0.001 0.000 0.263 308 M C 2.136 178.548 176.300 0.186 0.000 1.065 308 M CA 1.317 56.687 55.300 0.117 0.000 1.122 308 M CB -0.613 32.082 32.600 0.158 0.000 1.365 308 M HN 0.314 nan 8.290 nan 0.000 0.411 309 L N -0.139 121.190 121.223 0.178 0.000 2.201 309 L HA -0.190 4.150 4.340 -0.001 0.000 0.212 309 L C 2.086 179.066 176.870 0.184 0.000 1.105 309 L CA 0.722 55.680 54.840 0.198 0.000 0.775 309 L CB -0.727 41.381 42.059 0.082 0.000 0.913 309 L HN 0.389 nan 8.230 nan 0.000 0.440 310 N N -0.402 118.369 118.700 0.118 0.000 2.300 310 N HA -0.087 4.653 4.740 -0.001 0.000 0.179 310 N C 1.894 177.446 175.510 0.070 0.000 1.016 310 N CA 1.463 54.585 53.050 0.120 0.000 0.876 310 N CB 0.161 38.708 38.487 0.100 0.000 0.979 310 N HN 0.310 nan 8.380 nan 0.000 0.432 311 S N -0.933 114.743 115.700 -0.040 0.000 2.575 311 S HA 0.228 4.698 4.470 -0.001 0.000 0.215 311 S C 1.358 175.655 174.600 -0.505 0.000 0.966 311 S CA 0.437 58.552 58.200 -0.141 0.000 0.911 311 S CB 0.283 63.431 63.200 -0.087 0.000 0.780 311 S HN 0.333 nan 8.310 nan 0.000 0.514 312 G N 1.999 110.252 108.800 -0.911 0.000 2.153 312 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.252 312 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.252 312 G C 0.000 174.104 174.900 -1.328 0.000 0.994 312 G CA 0.107 44.047 45.100 -1.932 0.000 0.698 312 G HN 0.621 nan 8.290 nan 0.000 0.521 313 N N 0.668 119.001 118.700 -0.612 0.000 2.739 313 N HA 0.512 5.252 4.740 -0.001 0.000 0.266 313 N C -0.199 175.268 175.510 -0.072 0.000 1.168 313 N CA -0.065 52.801 53.050 -0.306 0.000 1.055 313 N CB -0.911 37.517 38.487 -0.099 0.000 1.393 313 N HN 0.803 nan 8.380 nan 0.000 0.514 314 F N -0.888 119.006 119.950 -0.094 0.000 2.793 314 F HA 0.322 4.849 4.527 -0.000 0.000 0.316 314 F C -0.516 175.298 175.800 0.024 0.000 1.147 314 F CA -1.399 56.611 58.000 0.017 0.000 0.930 314 F CB 0.521 39.588 39.000 0.111 0.000 1.277 314 F HN -0.087 nan 8.300 nan 0.000 0.443 315 K N 2.116 122.735 120.400 0.365 0.000 2.430 315 K HA 0.137 4.457 4.320 -0.001 0.000 0.280 315 K C -0.932 175.887 176.600 0.364 0.000 1.063 315 K CA -0.024 56.403 56.287 0.233 0.000 1.071 315 K CB 0.370 32.962 32.500 0.153 0.000 0.899 315 K HN 0.644 nan 8.250 nan 0.000 0.473 316 K N 2.930 123.418 120.400 0.147 0.000 2.285 316 K HA 0.167 4.487 4.320 -0.001 0.000 0.286 316 K C -0.007 176.705 176.600 0.188 0.000 1.072 316 K CA -0.145 56.228 56.287 0.145 0.000 0.913 316 K CB 1.774 34.270 32.500 -0.007 0.000 1.067 316 K HN 0.707 nan 8.250 nan 0.000 0.479 317 T N 1.375 116.129 114.554 0.333 0.000 2.646 317 T HA 0.305 4.654 4.350 -0.001 0.000 0.297 317 T C -1.455 173.445 174.700 0.333 0.000 1.363 317 T CA -0.655 61.597 62.100 0.253 0.000 1.056 317 T CB 0.511 69.500 68.868 0.202 0.000 1.779 317 T HN 0.402 nan 8.240 nan 0.000 0.459 318 Q N 0.913 120.881 119.800 0.280 0.000 2.266 318 Q HA 0.790 5.130 4.340 -0.001 0.000 0.261 318 Q C -0.508 175.758 176.000 0.443 0.000 0.985 318 Q CA -0.578 55.441 55.803 0.361 0.000 0.873 318 Q CB 1.832 30.782 28.738 0.354 0.000 1.306 318 Q HN 0.709 nan 8.270 nan 0.000 0.447 319 I N -1.442 119.339 120.570 0.351 0.000 2.865 319 I HA 0.695 4.865 4.170 -0.001 0.000 0.302 319 I C -1.577 174.466 176.117 -0.122 0.000 1.140 319 I CA -1.369 60.028 61.300 0.161 0.000 1.021 319 I CB 1.918 39.839 38.000 -0.131 0.000 1.233 319 I HN 0.556 nan 8.210 nan 0.000 0.427 320 L N 6.643 127.618 121.223 -0.413 0.000 2.381 320 L HA 0.777 5.116 4.340 -0.001 0.000 0.274 320 L C -1.282 175.419 176.870 -0.281 0.000 0.988 320 L CA -0.522 53.944 54.840 -0.622 0.000 0.824 320 L CB 1.638 42.817 42.059 -1.467 0.000 1.263 320 L HN 0.823 nan 8.230 nan 0.000 0.410 321 L N 2.298 123.468 121.223 -0.087 0.000 2.600 321 L HA 1.109 5.449 4.340 -0.001 0.000 0.257 321 L C -0.742 176.000 176.870 -0.214 0.000 1.048 321 L CA -0.490 54.336 54.840 -0.023 0.000 0.869 321 L CB 1.901 43.927 42.059 -0.055 0.000 1.482 321 L HN 0.660 nan 8.230 nan 0.000 0.408 322 G N -0.221 108.263 108.800 -0.526 0.000 2.428 322 G HA2 0.592 4.552 3.960 -0.001 0.000 0.304 322 G HA3 0.592 4.552 3.960 -0.001 0.000 0.304 322 G C -1.534 173.047 174.900 -0.531 0.000 1.303 322 G CA 0.024 44.495 45.100 -1.049 0.000 0.825 322 G HN 1.478 nan 8.290 nan 0.000 0.484 323 V N -2.568 117.165 119.914 -0.302 0.000 3.181 323 V HA 0.823 4.943 4.120 -0.001 0.000 0.308 323 V C -1.067 175.093 176.094 0.111 0.000 1.214 323 V CA -1.432 60.889 62.300 0.036 0.000 1.053 323 V CB 1.898 33.784 31.823 0.104 0.000 1.069 323 V HN 0.705 nan 8.190 nan 0.000 0.441 324 N N 0.994 119.787 118.700 0.155 0.000 2.489 324 N HA 0.382 5.121 4.740 -0.001 0.000 0.284 324 N C 0.577 176.043 175.510 -0.073 0.000 1.158 324 N CA -0.436 52.685 53.050 0.117 0.000 0.965 324 N CB 1.823 40.468 38.487 0.263 0.000 1.195 324 N HN 0.926 nan 8.380 nan 0.000 0.506 325 K N 0.178 120.429 120.400 -0.249 0.000 2.032 325 K HA -0.090 4.230 4.320 -0.001 0.000 0.209 325 K C -0.545 176.139 176.600 0.139 0.000 1.048 325 K CA 1.299 57.514 56.287 -0.120 0.000 0.927 325 K CB 0.187 32.642 32.500 -0.075 0.000 0.712 325 K HN 0.494 nan 8.250 nan 0.000 0.441 326 D N 1.268 121.751 120.400 0.139 0.000 2.863 326 D HA 0.035 4.674 4.640 -0.001 0.000 0.323 326 D C 0.195 176.615 176.300 0.201 0.000 1.286 326 D CA -0.049 54.054 54.000 0.173 0.000 0.921 326 D CB 1.151 42.039 40.800 0.147 0.000 1.024 326 D HN 0.189 nan 8.370 nan 0.000 0.505 327 E N 0.313 120.642 120.200 0.216 0.000 2.209 327 E HA -0.128 4.222 4.350 -0.001 0.000 0.196 327 E C 1.870 178.610 176.600 0.234 0.000 0.993 327 E CA 0.677 57.227 56.400 0.250 0.000 0.819 327 E CB 0.202 30.027 29.700 0.208 0.000 0.745 327 E HN 0.416 nan 8.360 nan 0.000 0.477 328 G N 1.081 110.005 108.800 0.205 0.000 2.595 328 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.213 328 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.213 328 G C 1.681 176.752 174.900 0.284 0.000 1.141 328 G CA 0.664 45.907 45.100 0.237 0.000 0.806 328 G HN 0.346 nan 8.290 nan 0.000 0.530 329 S N 0.711 116.540 115.700 0.215 0.000 2.400 329 S HA -0.242 4.228 4.470 -0.001 0.000 0.234 329 S C 2.049 176.679 174.600 0.050 0.000 1.049 329 S CA 1.328 59.626 58.200 0.163 0.000 1.039 329 S CB -0.607 62.629 63.200 0.059 0.000 0.856 329 S HN 0.195 nan 8.310 nan 0.000 0.465 330 F N 1.598 121.491 119.950 -0.095 0.000 2.216 330 F HA 0.115 4.642 4.527 -0.001 0.000 0.300 330 F C 1.599 177.156 175.800 -0.405 0.000 1.085 330 F CA 0.755 58.540 58.000 -0.359 0.000 1.326 330 F CB -0.334 38.312 39.000 -0.589 0.000 1.027 330 F HN 0.175 nan 8.300 nan 0.000 0.497 331 F N -0.963 119.006 119.950 0.032 0.000 2.512 331 F HA 0.028 4.554 4.527 -0.001 0.000 0.296 331 F C 2.007 177.779 175.800 -0.048 0.000 1.110 331 F CA 0.526 58.503 58.000 -0.039 0.000 1.446 331 F CB -0.901 38.007 39.000 -0.154 0.000 1.092 331 F HN -0.141 nan 8.300 nan 0.000 0.554 332 L N -0.693 120.537 121.223 0.012 0.000 2.109 332 L HA -0.145 4.194 4.340 -0.001 0.000 0.207 332 L C 2.425 179.133 176.870 -0.271 0.000 1.086 332 L CA 0.505 55.122 54.840 -0.371 0.000 0.760 332 L CB -0.552 40.944 42.059 -0.937 0.000 0.910 332 L HN 0.154 nan 8.230 nan 0.000 0.437 333 L N -0.967 120.267 121.223 0.018 0.000 2.012 333 L HA -0.254 4.086 4.340 -0.001 0.000 0.210 333 L C 2.289 179.279 176.870 0.201 0.000 1.073 333 L CA 2.053 57.043 54.840 0.250 0.000 0.748 333 L CB -0.650 41.528 42.059 0.199 0.000 0.891 333 L HN 0.120 nan 8.230 nan 0.000 0.431 334 Y N -0.828 119.479 120.300 0.012 0.000 2.420 334 Y HA 0.179 4.729 4.550 -0.001 0.000 0.292 334 Y C 2.309 178.199 175.900 -0.016 0.000 1.119 334 Y CA 1.001 59.110 58.100 0.015 0.000 1.229 334 Y CB -0.275 38.182 38.460 -0.006 0.000 1.026 334 Y HN 0.283 nan 8.280 nan 0.000 0.554 335 G N -1.644 107.233 108.800 0.127 0.000 2.695 335 G HA2 0.383 4.343 3.960 -0.001 0.000 0.205 335 G HA3 0.383 4.343 3.960 -0.001 0.000 0.205 335 G C 0.115 175.040 174.900 0.042 0.000 1.068 335 G CA 0.387 45.524 45.100 0.062 0.000 0.842 335 G HN 0.262 nan 8.290 nan 0.000 0.628 336 A N 2.010 124.840 122.820 0.018 0.000 2.301 336 A HA 0.711 5.031 4.320 -0.001 0.000 0.298 336 A C -2.304 175.404 177.584 0.206 0.000 1.185 336 A CA -1.423 50.653 52.037 0.064 0.000 0.830 336 A CB 0.660 19.642 19.000 -0.031 0.000 1.112 336 A HN 0.110 nan 8.150 nan 0.000 0.508 337 P HA 0.263 nan 4.420 nan 0.000 0.267 337 P C 0.820 178.221 177.300 0.169 0.000 1.205 337 P CA 1.345 64.527 63.100 0.138 0.000 0.765 337 P CB 1.151 32.896 31.700 0.076 0.000 0.828 338 G N 2.142 110.992 108.800 0.084 0.000 2.307 338 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.210 338 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.210 338 G C -0.286 174.467 174.900 -0.246 0.000 1.005 338 G CA -0.561 44.479 45.100 -0.101 0.000 0.634 338 G HN 0.411 nan 8.290 nan 0.000 0.496 339 F N 2.273 122.153 119.950 -0.117 0.000 2.385 339 F HA 0.769 5.295 4.527 -0.001 0.000 0.336 339 F C 0.713 176.497 175.800 -0.027 0.000 1.100 339 F CA -0.411 57.479 58.000 -0.183 0.000 1.116 339 F CB 2.061 40.994 39.000 -0.111 0.000 1.166 339 F HN 0.026 nan 8.300 nan 0.000 0.511 340 S N 1.332 117.130 115.700 0.163 0.000 2.546 340 S HA 0.258 4.728 4.470 -0.001 0.000 0.274 340 S C 0.602 175.427 174.600 0.374 0.000 1.121 340 S CA -1.070 57.260 58.200 0.218 0.000 0.887 340 S CB 2.203 65.455 63.200 0.086 0.000 1.094 340 S HN 0.718 nan 8.310 nan 0.000 0.474 341 K N 0.640 121.197 120.400 0.262 0.000 2.211 341 K HA -0.046 4.274 4.320 -0.001 0.000 0.203 341 K C -0.240 176.420 176.600 0.100 0.000 1.050 341 K CA 1.291 57.653 56.287 0.125 0.000 0.945 341 K CB 0.076 32.396 32.500 -0.300 0.000 0.732 341 K HN 0.424 nan 8.250 nan 0.000 0.451 342 D N 0.276 120.729 120.400 0.090 0.000 2.424 342 D HA 0.042 4.682 4.640 -0.001 0.000 0.220 342 D C -0.384 175.966 176.300 0.083 0.000 1.150 342 D CA 0.060 54.093 54.000 0.055 0.000 0.831 342 D CB 0.891 41.692 40.800 0.001 0.000 0.981 342 D HN 0.173 nan 8.370 nan 0.000 0.500 343 S N -1.465 114.313 115.700 0.131 0.000 2.661 343 S HA 0.350 4.820 4.470 -0.001 0.000 0.285 343 S C 0.688 175.321 174.600 0.055 0.000 1.138 343 S CA -0.770 57.463 58.200 0.056 0.000 0.855 343 S CB 2.101 65.286 63.200 -0.026 0.000 1.136 343 S HN -0.133 nan 8.310 nan 0.000 0.484 344 E N 0.824 121.009 120.200 -0.025 0.000 2.409 344 E HA 0.040 4.389 4.350 -0.001 0.000 0.198 344 E C -0.401 175.941 176.600 -0.430 0.000 1.024 344 E CA 0.514 56.871 56.400 -0.071 0.000 0.861 344 E CB -0.288 29.389 29.700 -0.040 0.000 0.788 344 E HN 0.696 nan 8.360 nan 0.000 0.521 345 S N 1.244 116.642 115.700 -0.502 0.000 3.524 345 S HA -0.182 4.288 4.470 -0.001 0.000 0.377 345 S C -0.339 173.857 174.600 -0.673 0.000 0.949 345 S CA 0.693 58.444 58.200 -0.747 0.000 1.264 345 S CB -1.086 61.288 63.200 -1.376 0.000 0.918 345 S HN 0.265 nan 8.310 nan 0.000 0.517 346 K N 1.179 121.337 120.400 -0.404 0.000 2.297 346 K HA 0.369 4.689 4.320 -0.001 0.000 0.286 346 K C 0.347 176.751 176.600 -0.326 0.000 1.053 346 K CA -0.361 55.742 56.287 -0.305 0.000 0.940 346 K CB 0.509 32.899 32.500 -0.184 0.000 1.019 346 K HN 0.222 nan 8.250 nan 0.000 0.475 347 I N 2.473 122.857 120.570 -0.311 0.000 2.392 347 I HA 0.095 4.264 4.170 -0.001 0.000 0.295 347 I C 1.012 177.059 176.117 -0.117 0.000 0.985 347 I CA -0.343 60.809 61.300 -0.246 0.000 1.221 347 I CB 1.243 39.099 38.000 -0.240 0.000 1.366 347 I HN 0.693 nan 8.210 nan 0.000 0.467 348 S N 6.597 122.251 115.700 -0.076 0.000 2.661 348 S HA 0.376 4.846 4.470 -0.001 0.000 0.265 348 S C 1.187 175.795 174.600 0.013 0.000 1.225 348 S CA -0.555 57.621 58.200 -0.041 0.000 0.986 348 S CB 1.460 64.642 63.200 -0.030 0.000 1.008 348 S HN 0.514 nan 8.310 nan 0.000 0.565 349 R N 0.961 121.466 120.500 0.007 0.000 2.096 349 R HA -0.058 4.281 4.340 -0.001 0.000 0.235 349 R C 2.155 178.527 176.300 0.121 0.000 1.127 349 R CA 1.462 57.591 56.100 0.049 0.000 0.968 349 R CB -0.888 29.428 30.300 0.028 0.000 0.861 349 R HN 0.775 nan 8.270 nan 0.000 0.440 350 E N 0.826 121.071 120.200 0.075 0.000 2.023 350 E HA -0.193 4.157 4.350 -0.001 0.000 0.196 350 E C 1.492 178.143 176.600 0.085 0.000 1.003 350 E CA 1.229 57.672 56.400 0.072 0.000 0.809 350 E CB -0.383 29.341 29.700 0.040 0.000 0.755 350 E HN 0.324 nan 8.360 nan 0.000 0.449 351 D N 0.049 120.494 120.400 0.074 0.000 2.269 351 D HA -0.080 4.560 4.640 -0.001 0.000 0.208 351 D C 1.721 178.095 176.300 0.123 0.000 0.963 351 D CA 0.294 54.340 54.000 0.077 0.000 0.864 351 D CB -0.393 40.428 40.800 0.034 0.000 0.936 351 D HN 0.086 nan 8.370 nan 0.000 0.505 352 F N 1.334 121.291 119.950 0.011 0.000 2.075 352 F HA -0.149 4.378 4.527 -0.001 0.000 0.297 352 F C 2.291 178.116 175.800 0.041 0.000 1.113 352 F CA 1.385 59.401 58.000 0.027 0.000 1.218 352 F CB -0.243 38.751 39.000 -0.010 0.000 0.984 352 F HN -0.186 nan 8.300 nan 0.000 0.472 353 M N -0.505 119.168 119.600 0.122 0.000 2.229 353 M HA -0.185 4.294 4.480 -0.001 0.000 0.264 353 M C 2.153 178.429 176.300 -0.039 0.000 1.063 353 M CA 1.541 56.853 55.300 0.020 0.000 1.114 353 M CB -0.498 32.183 32.600 0.135 0.000 1.387 353 M HN 0.090 nan 8.290 nan 0.000 0.420 354 S N 0.524 116.223 115.700 -0.002 0.000 2.383 354 S HA -0.060 4.410 4.470 -0.001 0.000 0.227 354 S C 2.039 176.618 174.600 -0.036 0.000 1.026 354 S CA 1.328 59.526 58.200 -0.002 0.000 0.981 354 S CB -0.714 62.502 63.200 0.027 0.000 0.818 354 S HN 0.684 nan 8.310 nan 0.000 0.472 355 G N 1.436 110.198 108.800 -0.064 0.000 2.422 355 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.218 355 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.218 355 G C 1.418 176.217 174.900 -0.168 0.000 1.146 355 G CA 0.925 45.971 45.100 -0.090 0.000 0.769 355 G HN 0.430 nan 8.290 nan 0.000 0.547 356 V N 0.823 120.575 119.914 -0.270 0.000 2.427 356 V HA -0.119 4.001 4.120 -0.001 0.000 0.248 356 V C 2.664 178.681 176.094 -0.129 0.000 1.051 356 V CA 2.125 64.284 62.300 -0.235 0.000 1.048 356 V CB -0.304 31.360 31.823 -0.266 0.000 0.666 356 V HN 0.339 nan 8.190 nan 0.000 0.456 357 K N 0.242 120.582 120.400 -0.099 0.000 2.097 357 K HA -0.131 4.188 4.320 -0.001 0.000 0.206 357 K C 1.755 178.314 176.600 -0.068 0.000 1.049 357 K CA 1.504 57.745 56.287 -0.076 0.000 0.933 357 K CB -0.469 32.004 32.500 -0.045 0.000 0.717 357 K HN 0.261 nan 8.250 nan 0.000 0.442 358 L N 0.308 121.501 121.223 -0.050 0.000 2.217 358 L HA 0.028 4.368 4.340 -0.001 0.000 0.211 358 L C 1.934 178.790 176.870 -0.023 0.000 1.107 358 L CA 1.447 56.275 54.840 -0.021 0.000 0.783 358 L CB -0.534 41.522 42.059 -0.006 0.000 0.919 358 L HN 0.106 nan 8.230 nan 0.000 0.442 359 S N -1.756 113.909 115.700 -0.058 0.000 2.425 359 S HA 0.085 4.555 4.470 -0.001 0.000 0.225 359 S C 0.930 175.476 174.600 -0.090 0.000 1.024 359 S CA 0.248 58.412 58.200 -0.060 0.000 0.951 359 S CB 0.335 63.475 63.200 -0.100 0.000 0.796 359 S HN 0.114 nan 8.310 nan 0.000 0.498 360 V N 3.949 123.781 119.914 -0.136 0.000 2.271 360 V HA 0.211 4.331 4.120 -0.001 0.000 0.259 360 V C -1.662 174.295 176.094 -0.228 0.000 1.030 360 V CA -1.423 60.740 62.300 -0.228 0.000 0.957 360 V CB 0.795 32.474 31.823 -0.241 0.000 1.186 360 V HN 0.217 nan 8.190 nan 0.000 0.471 361 P HA -0.191 nan 4.420 nan 0.000 0.218 361 P C 1.018 177.946 177.300 -0.620 0.000 1.148 361 P CA 1.547 64.497 63.100 -0.250 0.000 0.822 361 P CB 0.058 31.734 31.700 -0.041 0.000 0.784 362 H N -1.149 117.611 119.070 -0.516 0.000 2.526 362 H HA 0.530 5.086 4.556 -0.001 0.000 0.274 362 H C 0.297 175.445 175.328 -0.300 0.000 0.999 362 H CA -0.390 55.349 56.048 -0.514 0.000 1.157 362 H CB -0.504 29.132 29.762 -0.210 0.000 1.407 362 H HN -0.019 nan 8.280 nan 0.000 0.568 363 A N 2.101 124.594 122.820 -0.544 0.000 2.306 363 A HA 0.333 4.652 4.320 -0.001 0.000 0.314 363 A C 0.222 177.664 177.584 -0.235 0.000 1.164 363 A CA -0.704 51.099 52.037 -0.390 0.000 0.822 363 A CB 0.665 19.436 19.000 -0.383 0.000 1.130 363 A HN 0.613 nan 8.150 nan 0.000 0.496 364 N N 1.345 119.946 118.700 -0.165 0.000 2.327 364 N HA 0.095 4.835 4.740 -0.001 0.000 0.257 364 N C -0.057 175.403 175.510 -0.084 0.000 1.281 364 N CA -0.276 52.710 53.050 -0.106 0.000 0.942 364 N CB 0.172 38.612 38.487 -0.077 0.000 1.199 364 N HN 0.472 nan 8.380 nan 0.000 0.532 365 D N -0.939 119.430 120.400 -0.052 0.000 2.182 365 D HA -0.124 4.515 4.640 -0.001 0.000 0.201 365 D C 1.637 177.927 176.300 -0.015 0.000 0.986 365 D CA 0.688 54.672 54.000 -0.028 0.000 0.847 365 D CB -0.204 40.588 40.800 -0.013 0.000 0.942 365 D HN 0.478 nan 8.370 nan 0.000 0.467 366 L N 0.399 121.608 121.223 -0.023 0.000 2.056 366 L HA 0.043 4.382 4.340 -0.001 0.000 0.207 366 L C 2.113 178.981 176.870 -0.005 0.000 1.078 366 L CA 1.972 56.808 54.840 -0.007 0.000 0.749 366 L CB -0.900 41.147 42.059 -0.020 0.000 0.901 366 L HN 0.052 nan 8.230 nan 0.000 0.433 367 G N -0.467 108.303 108.800 -0.050 0.000 2.402 367 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.216 367 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.216 367 G C 1.600 176.492 174.900 -0.013 0.000 1.162 367 G CA 0.928 45.989 45.100 -0.066 0.000 0.777 367 G HN 0.432 nan 8.290 nan 0.000 0.539 368 L N 0.498 121.705 121.223 -0.027 0.000 2.079 368 L HA -0.084 4.255 4.340 -0.001 0.000 0.210 368 L C 2.448 179.359 176.870 0.068 0.000 1.081 368 L CA 1.142 55.984 54.840 0.003 0.000 0.752 368 L CB -0.335 41.714 42.059 -0.017 0.000 0.896 368 L HN 0.092 nan 8.230 nan 0.000 0.433 369 D N 0.069 120.513 120.400 0.074 0.000 2.117 369 D HA -0.124 4.516 4.640 -0.001 0.000 0.198 369 D C 2.261 178.650 176.300 0.149 0.000 0.982 369 D CA 1.418 55.486 54.000 0.114 0.000 0.828 369 D CB -0.067 40.785 40.800 0.087 0.000 0.967 369 D HN 0.288 nan 8.370 nan 0.000 0.464 370 A N 0.571 123.488 122.820 0.161 0.000 1.883 370 A HA -0.159 4.161 4.320 -0.001 0.000 0.217 370 A C 2.516 180.222 177.584 0.202 0.000 1.186 370 A CA 1.456 53.640 52.037 0.246 0.000 0.624 370 A CB -0.854 18.379 19.000 0.387 0.000 0.822 370 A HN 0.143 nan 8.150 nan 0.000 0.444 371 V N -0.275 119.777 119.914 0.229 0.000 2.287 371 V HA -0.254 3.865 4.120 -0.001 0.000 0.248 371 V C 2.748 178.970 176.094 0.214 0.000 1.053 371 V CA 2.543 64.953 62.300 0.184 0.000 1.027 371 V CB -1.386 30.562 31.823 0.208 0.000 0.646 371 V HN 0.611 nan 8.190 nan 0.000 0.447 372 T N 0.508 115.200 114.554 0.229 0.000 2.720 372 T HA -0.205 4.145 4.350 -0.001 0.000 0.268 372 T C 1.885 176.761 174.700 0.293 0.000 1.037 372 T CA 1.945 64.247 62.100 0.337 0.000 1.144 372 T CB -0.366 68.703 68.868 0.334 0.000 0.864 372 T HN 0.317 nan 8.240 nan 0.000 0.444 373 L N 1.183 122.556 121.223 0.251 0.000 2.046 373 L HA -0.005 4.335 4.340 -0.001 0.000 0.208 373 L C 2.383 179.296 176.870 0.073 0.000 1.077 373 L CA 1.798 56.799 54.840 0.268 0.000 0.747 373 L CB -0.797 41.379 42.059 0.194 0.000 0.896 373 L HN 0.094 nan 8.230 nan 0.000 0.432 374 Q N -1.495 118.239 119.800 -0.111 0.000 2.291 374 Q HA -0.138 4.201 4.340 -0.001 0.000 0.205 374 Q C 0.588 176.315 176.000 -0.456 0.000 0.970 374 Q CA 1.536 57.090 55.803 -0.415 0.000 0.876 374 Q CB -0.085 28.073 28.738 -0.967 0.000 0.935 374 Q HN 0.698 nan 8.270 nan 0.000 0.455 375 Y N -1.345 118.913 120.300 -0.070 0.000 2.706 375 Y HA 0.360 4.909 4.550 -0.001 0.000 0.255 375 Y C -0.430 175.415 175.900 -0.091 0.000 1.163 375 Y CA -0.347 57.759 58.100 0.010 0.000 1.174 375 Y CB 1.098 39.670 38.460 0.187 0.000 1.200 375 Y HN -0.211 nan 8.280 nan 0.000 0.544 376 T N 0.271 114.727 114.554 -0.164 0.000 2.829 376 T HA 0.157 4.507 4.350 -0.001 0.000 0.280 376 T C -1.172 173.181 174.700 -0.578 0.000 0.999 376 T CA -0.676 61.090 62.100 -0.557 0.000 0.983 376 T CB 1.530 69.781 68.868 -1.028 0.000 0.968 376 T HN -0.028 nan 8.240 nan 0.000 0.446 377 D N 1.697 121.790 120.400 -0.512 0.000 2.467 377 D HA 0.172 4.812 4.640 -0.001 0.000 0.220 377 D C 0.062 176.164 176.300 -0.330 0.000 1.103 377 D CA -0.879 52.938 54.000 -0.304 0.000 0.886 377 D CB 0.315 41.007 40.800 -0.179 0.000 1.025 377 D HN 0.590 nan 8.370 nan 0.000 0.514 378 W N 2.940 124.203 121.300 -0.062 0.000 2.848 378 W HA 0.013 4.672 4.660 -0.001 0.000 0.241 378 W C 1.866 178.358 176.519 -0.046 0.000 1.289 378 W CA 0.008 57.320 57.345 -0.055 0.000 1.396 378 W CB -0.183 29.249 29.460 -0.046 0.000 1.138 378 W HN 0.385 nan 8.180 nan 0.000 0.677 379 M N -0.664 118.993 119.600 0.094 0.000 2.556 379 M HA 0.032 4.511 4.480 -0.001 0.000 0.245 379 M C 0.168 176.476 176.300 0.013 0.000 1.128 379 M CA 1.100 56.434 55.300 0.057 0.000 1.069 379 M CB 0.200 32.819 32.600 0.031 0.000 1.469 379 M HN -0.198 nan 8.290 nan 0.000 0.494 380 D N -0.064 120.317 120.400 -0.032 0.000 3.404 380 D HA -0.023 4.617 4.640 -0.001 0.000 0.329 380 D C 0.553 176.774 176.300 -0.132 0.000 1.421 380 D CA 0.081 54.043 54.000 -0.063 0.000 0.742 380 D CB 0.247 41.009 40.800 -0.063 0.000 1.290 380 D HN 0.206 nan 8.370 nan 0.000 0.600 381 D N -0.651 119.664 120.400 -0.141 0.000 2.265 381 D HA -0.167 4.473 4.640 -0.001 0.000 0.208 381 D C 0.492 176.666 176.300 -0.210 0.000 0.977 381 D CA 0.554 54.398 54.000 -0.261 0.000 0.871 381 D CB 0.138 40.827 40.800 -0.185 0.000 0.925 381 D HN 0.177 nan 8.370 nan 0.000 0.485 382 N N 0.369 118.997 118.700 -0.119 0.000 2.238 382 N HA -0.005 4.734 4.740 -0.001 0.000 0.222 382 N C -0.382 175.069 175.510 -0.099 0.000 1.133 382 N CA -0.192 52.799 53.050 -0.099 0.000 0.854 382 N CB 0.083 38.539 38.487 -0.051 0.000 1.041 382 N HN 0.392 nan 8.380 nan 0.000 0.510 383 N N 0.189 118.818 118.700 -0.117 0.000 2.399 383 N HA 0.071 4.811 4.740 -0.001 0.000 0.259 383 N C 1.444 176.886 175.510 -0.113 0.000 1.160 383 N CA -0.292 52.699 53.050 -0.098 0.000 0.946 383 N CB 0.661 39.093 38.487 -0.092 0.000 1.156 383 N HN 0.050 nan 8.380 nan 0.000 0.489 384 G N 3.653 112.393 108.800 -0.100 0.000 2.450 384 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.220 384 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.220 384 G C 1.260 176.093 174.900 -0.111 0.000 1.130 384 G CA 0.544 45.575 45.100 -0.115 0.000 0.760 384 G HN 0.679 nan 8.290 nan 0.000 0.557 385 I N -0.386 120.137 120.570 -0.078 0.000 2.617 385 I HA -0.024 4.146 4.170 -0.001 0.000 0.256 385 I C 2.669 178.773 176.117 -0.021 0.000 1.167 385 I CA 0.757 62.030 61.300 -0.045 0.000 1.469 385 I CB -0.042 37.949 38.000 -0.016 0.000 1.098 385 I HN 0.127 nan 8.210 nan 0.000 0.436 386 K N 0.563 120.933 120.400 -0.051 0.000 2.167 386 K HA -0.049 4.271 4.320 -0.001 0.000 0.203 386 K C 1.751 178.312 176.600 -0.065 0.000 1.052 386 K CA 0.839 57.095 56.287 -0.051 0.000 0.956 386 K CB -0.002 32.440 32.500 -0.096 0.000 0.735 386 K HN 0.263 nan 8.250 nan 0.000 0.451 387 N N 0.917 119.542 118.700 -0.124 0.000 2.270 387 N HA -0.143 4.596 4.740 -0.001 0.000 0.181 387 N C 1.685 177.293 175.510 0.162 0.000 1.016 387 N CA 0.742 53.720 53.050 -0.120 0.000 0.870 387 N CB -0.079 38.294 38.487 -0.190 0.000 0.979 387 N HN 0.184 nan 8.380 nan 0.000 0.431 388 R N 1.403 121.938 120.500 0.057 0.000 2.062 388 R HA -0.090 4.250 4.340 -0.001 0.000 0.231 388 R C 0.625 177.076 176.300 0.252 0.000 1.136 388 R CA 1.419 57.572 56.100 0.089 0.000 0.948 388 R CB -0.145 30.102 30.300 -0.089 0.000 0.845 388 R HN 0.084 nan 8.270 nan 0.000 0.430 389 D N -0.576 119.943 120.400 0.198 0.000 2.264 389 D HA -0.072 4.568 4.640 -0.001 0.000 0.208 389 D C 1.665 178.111 176.300 0.244 0.000 0.966 389 D CA 1.257 55.394 54.000 0.229 0.000 0.864 389 D CB -0.333 40.574 40.800 0.179 0.000 0.933 389 D HN 0.520 nan 8.370 nan 0.000 0.499 390 G N 0.704 109.659 108.800 0.259 0.000 2.394 390 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.215 390 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.215 390 G C 1.559 176.640 174.900 0.301 0.000 1.165 390 G CA 0.103 45.407 45.100 0.341 0.000 0.784 390 G HN 0.176 nan 8.290 nan 0.000 0.535 391 L N 0.946 122.382 121.223 0.355 0.000 2.093 391 L HA 0.025 4.365 4.340 -0.001 0.000 0.208 391 L C 2.253 179.183 176.870 0.100 0.000 1.085 391 L CA 1.725 56.656 54.840 0.150 0.000 0.755 391 L CB -0.490 41.733 42.059 0.274 0.000 0.904 391 L HN 0.177 nan 8.230 nan 0.000 0.435 392 D N -0.655 119.872 120.400 0.210 0.000 2.117 392 D HA -0.214 4.426 4.640 -0.001 0.000 0.197 392 D C 1.554 177.931 176.300 0.129 0.000 0.987 392 D CA 1.258 55.376 54.000 0.195 0.000 0.829 392 D CB 0.164 41.139 40.800 0.292 0.000 0.961 392 D HN 0.333 nan 8.370 nan 0.000 0.460 393 D N 0.210 120.694 120.400 0.140 0.000 2.117 393 D HA -0.101 4.539 4.640 -0.001 0.000 0.197 393 D C 2.346 178.637 176.300 -0.015 0.000 0.987 393 D CA 0.362 54.450 54.000 0.148 0.000 0.829 393 D CB -0.183 40.804 40.800 0.311 0.000 0.961 393 D HN 0.371 nan 8.370 nan 0.000 0.460 394 I N 0.538 120.949 120.570 -0.266 0.000 2.127 394 I HA -0.261 3.908 4.170 -0.001 0.000 0.241 394 I C 2.444 178.406 176.117 -0.258 0.000 1.075 394 I CA 0.776 61.835 61.300 -0.402 0.000 1.334 394 I CB -0.251 37.496 38.000 -0.421 0.000 1.040 394 I HN -0.101 nan 8.210 nan 0.000 0.405 395 V N 0.982 120.801 119.914 -0.157 0.000 2.343 395 V HA -0.225 3.895 4.120 -0.001 0.000 0.247 395 V C 2.528 178.515 176.094 -0.179 0.000 1.051 395 V CA 2.177 64.396 62.300 -0.135 0.000 1.036 395 V CB -1.524 30.284 31.823 -0.025 0.000 0.654 395 V HN 0.598 nan 8.190 nan 0.000 0.451 396 G N -0.447 108.304 108.800 -0.081 0.000 2.394 396 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.214 396 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.214 396 G C 1.239 176.065 174.900 -0.123 0.000 1.176 396 G CA 0.878 45.947 45.100 -0.052 0.000 0.786 396 G HN 0.482 nan 8.290 nan 0.000 0.533 397 D N -0.019 120.309 120.400 -0.120 0.000 2.084 397 D HA -0.114 4.525 4.640 -0.001 0.000 0.194 397 D C 2.099 178.097 176.300 -0.503 0.000 0.990 397 D CA 1.381 55.282 54.000 -0.165 0.000 0.826 397 D CB -0.499 40.333 40.800 0.053 0.000 0.971 397 D HN 0.434 nan 8.370 nan 0.000 0.453 398 H N 0.517 118.982 119.070 -1.010 0.000 2.423 398 H HA 0.046 4.602 4.556 -0.001 0.000 0.297 398 H C 1.417 176.374 175.328 -0.619 0.000 1.075 398 H CA 1.525 56.867 56.048 -1.177 0.000 1.342 398 H CB 0.144 29.019 29.762 -1.479 0.000 1.395 398 H HN 0.013 nan 8.280 nan 0.000 0.530 399 N N -0.926 117.339 118.700 -0.725 0.000 2.415 399 N HA 0.022 4.761 4.740 -0.001 0.000 0.174 399 N C 1.055 176.315 175.510 -0.417 0.000 1.048 399 N CA 1.005 53.585 53.050 -0.783 0.000 0.895 399 N CB 1.203 38.852 38.487 -1.397 0.000 1.036 399 N HN 0.262 nan 8.380 nan 0.000 0.449 400 V N 0.448 120.195 119.914 -0.278 0.000 3.161 400 V HA 0.171 4.290 4.120 -0.001 0.000 0.221 400 V C 2.032 178.101 176.094 -0.041 0.000 1.296 400 V CA 0.015 62.274 62.300 -0.069 0.000 1.306 400 V CB 0.206 32.051 31.823 0.037 0.000 1.171 400 V HN -0.061 nan 8.190 nan 0.000 0.513 401 I N 1.144 121.699 120.570 -0.026 0.000 2.133 401 I HA -0.245 3.924 4.170 -0.001 0.000 0.238 401 I C 2.909 179.035 176.117 0.015 0.000 1.074 401 I CA 2.059 63.371 61.300 0.021 0.000 1.342 401 I CB -0.607 37.441 38.000 0.080 0.000 1.053 401 I HN 0.590 nan 8.210 nan 0.000 0.404 402 C N 1.824 121.126 119.300 0.003 0.000 2.422 402 C HA -0.038 4.422 4.460 -0.001 0.000 0.279 402 C C 0.585 175.603 174.990 0.048 0.000 1.305 402 C CA 1.307 60.368 59.018 0.073 0.000 1.757 402 C CB -2.004 25.830 27.740 0.157 0.000 1.962 402 C HN 0.297 nan 8.230 nan 0.000 0.499 403 P HA -0.031 nan 4.420 nan 0.000 0.218 403 P C 1.781 179.104 177.300 0.037 0.000 1.152 403 P CA 0.688 63.762 63.100 -0.044 0.000 0.826 403 P CB -0.155 31.431 31.700 -0.190 0.000 0.790 404 L N -1.734 119.497 121.223 0.014 0.000 2.156 404 L HA -0.071 4.269 4.340 -0.001 0.000 0.208 404 L C 1.977 178.895 176.870 0.079 0.000 1.095 404 L CA 1.416 56.283 54.840 0.044 0.000 0.770 404 L CB -0.464 41.595 42.059 0.001 0.000 0.914 404 L HN -0.111 nan 8.230 nan 0.000 0.439 405 M N -1.212 118.425 119.600 0.062 0.000 2.374 405 M HA -0.176 4.303 4.480 -0.001 0.000 0.264 405 M C 2.082 178.455 176.300 0.121 0.000 1.067 405 M CA 1.381 56.715 55.300 0.056 0.000 1.103 405 M CB -1.343 31.300 32.600 0.072 0.000 1.402 405 M HN 0.405 nan 8.290 nan 0.000 0.444 406 H N -0.368 118.742 119.070 0.068 0.000 2.363 406 H HA -0.110 4.445 4.556 -0.001 0.000 0.301 406 H C 1.769 177.151 175.328 0.089 0.000 1.074 406 H CA 1.582 57.678 56.048 0.079 0.000 1.354 406 H CB -0.176 29.628 29.762 0.070 0.000 1.397 406 H HN 0.217 nan 8.280 nan 0.000 0.516 407 F N 0.113 120.040 119.950 -0.039 0.000 2.113 407 F HA -0.145 4.382 4.527 -0.001 0.000 0.297 407 F C 2.470 178.210 175.800 -0.100 0.000 1.103 407 F CA 1.469 59.401 58.000 -0.114 0.000 1.248 407 F CB -0.942 37.990 39.000 -0.113 0.000 0.999 407 F HN 0.122 nan 8.300 nan 0.000 0.475 408 V N 1.030 120.839 119.914 -0.175 0.000 2.407 408 V HA -0.265 3.854 4.120 -0.001 0.000 0.248 408 V C 2.126 178.112 176.094 -0.179 0.000 1.055 408 V CA 2.533 64.649 62.300 -0.306 0.000 1.049 408 V CB -0.661 30.926 31.823 -0.393 0.000 0.662 408 V HN 0.442 nan 8.190 nan 0.000 0.455 409 N N -0.133 118.528 118.700 -0.064 0.000 2.270 409 N HA -0.065 4.674 4.740 -0.001 0.000 0.181 409 N C 1.759 177.269 175.510 0.001 0.000 1.016 409 N CA 0.945 54.043 53.050 0.080 0.000 0.870 409 N CB -0.134 38.419 38.487 0.111 0.000 0.979 409 N HN 0.461 nan 8.380 nan 0.000 0.431 410 K N 0.101 120.420 120.400 -0.135 0.000 2.116 410 K HA -0.059 4.261 4.320 -0.001 0.000 0.203 410 K C 1.828 178.439 176.600 0.017 0.000 1.052 410 K CA 0.417 56.654 56.287 -0.083 0.000 0.952 410 K CB -0.491 31.887 32.500 -0.204 0.000 0.729 410 K HN 0.258 nan 8.250 nan 0.000 0.446 411 Y N 2.309 122.406 120.300 -0.339 0.000 2.133 411 Y HA -0.196 4.354 4.550 -0.000 0.000 0.287 411 Y C 2.240 178.170 175.900 0.049 0.000 1.134 411 Y CA 1.853 59.768 58.100 -0.308 0.000 1.133 411 Y CB -0.411 37.561 38.460 -0.813 0.000 0.987 411 Y HN -0.020 nan 8.280 nan 0.000 0.502 412 T N 0.767 115.415 114.554 0.156 0.000 2.869 412 T HA -0.256 4.093 4.350 -0.001 0.000 0.270 412 T C 1.822 176.553 174.700 0.051 0.000 1.082 412 T CA 1.739 63.944 62.100 0.174 0.000 1.123 412 T CB -0.298 68.761 68.868 0.319 0.000 0.856 412 T HN 0.311 nan 8.240 nan 0.000 0.499 413 K N -0.250 120.162 120.400 0.020 0.000 2.211 413 K HA -0.021 4.299 4.320 -0.001 0.000 0.203 413 K C 0.783 177.146 176.600 -0.394 0.000 1.050 413 K CA 1.125 57.305 56.287 -0.178 0.000 0.945 413 K CB 0.001 32.370 32.500 -0.217 0.000 0.732 413 K HN 0.383 nan 8.250 nan 0.000 0.451 414 F N -0.687 119.194 119.950 -0.115 0.000 2.746 414 F HA 0.303 4.829 4.527 -0.001 0.000 0.320 414 F C 1.141 176.799 175.800 -0.237 0.000 1.097 414 F CA -0.462 57.426 58.000 -0.187 0.000 1.195 414 F CB 0.441 39.263 39.000 -0.298 0.000 1.056 414 F HN -0.082 nan 8.300 nan 0.000 0.562 415 G N 0.053 108.777 108.800 -0.126 0.000 2.621 415 G HA2 0.028 3.987 3.960 -0.001 0.000 0.271 415 G HA3 0.028 3.987 3.960 -0.001 0.000 0.271 415 G C 0.244 175.179 174.900 0.057 0.000 1.236 415 G CA -0.393 44.643 45.100 -0.105 0.000 0.958 415 G HN 0.265 nan 8.290 nan 0.000 0.512 416 N N -0.340 118.446 118.700 0.143 0.000 2.338 416 N HA 0.316 5.055 4.740 -0.001 0.000 0.251 416 N C 0.195 175.781 175.510 0.128 0.000 1.199 416 N CA 0.411 53.525 53.050 0.107 0.000 0.879 416 N CB 0.272 38.815 38.487 0.094 0.000 1.159 416 N HN 0.922 nan 8.380 nan 0.000 0.514 417 G N 0.606 109.492 108.800 0.143 0.000 2.380 417 G HA2 -0.013 3.946 3.960 -0.001 0.000 0.250 417 G HA3 -0.013 3.946 3.960 -0.001 0.000 0.250 417 G C -1.277 173.662 174.900 0.064 0.000 1.578 417 G CA -0.792 44.353 45.100 0.075 0.000 0.974 417 G HN 0.047 nan 8.290 nan 0.000 0.680 418 T N 1.520 115.994 114.554 -0.133 0.000 2.861 418 T HA 0.691 5.040 4.350 -0.001 0.000 0.287 418 T C -1.289 173.155 174.700 -0.426 0.000 1.003 418 T CA -0.381 61.644 62.100 -0.125 0.000 0.977 418 T CB 1.427 70.324 68.868 0.048 0.000 0.996 418 T HN 0.453 nan 8.240 nan 0.000 0.448 419 Y N 2.006 122.206 120.300 -0.167 0.000 2.326 419 Y HA 0.634 5.183 4.550 -0.001 0.000 0.329 419 Y C -0.585 175.329 175.900 0.024 0.000 0.973 419 Y CA -1.093 56.848 58.100 -0.266 0.000 1.162 419 Y CB 1.455 39.315 38.460 -1.001 0.000 1.147 419 Y HN 0.416 nan 8.280 nan 0.000 0.456 420 L N 5.963 127.504 121.223 0.531 0.000 2.329 420 L HA 0.613 4.953 4.340 -0.001 0.000 0.279 420 L C -1.137 176.187 176.870 0.757 0.000 1.014 420 L CA -1.081 54.036 54.840 0.462 0.000 0.814 420 L CB 0.679 42.839 42.059 0.169 0.000 1.257 420 L HN 0.532 nan 8.230 nan 0.000 0.424 421 Y N 3.243 123.864 120.300 0.534 0.000 2.602 421 Y HA 0.756 5.306 4.550 -0.001 0.000 0.342 421 Y C -1.762 174.429 175.900 0.485 0.000 1.029 421 Y CA -1.955 56.410 58.100 0.441 0.000 1.080 421 Y CB 1.377 40.038 38.460 0.336 0.000 1.284 421 Y HN 0.516 nan 8.280 nan 0.000 0.485 422 F N 3.886 124.156 119.950 0.534 0.000 2.577 422 F HA 0.451 4.977 4.527 -0.001 0.000 0.344 422 F C -2.000 174.110 175.800 0.517 0.000 1.145 422 F CA -1.846 56.393 58.000 0.399 0.000 0.996 422 F CB 0.828 40.079 39.000 0.418 0.000 1.248 422 F HN 0.563 nan 8.300 nan 0.000 0.447 423 F N 8.040 128.057 119.950 0.112 0.000 2.413 423 F HA 0.307 4.834 4.527 -0.001 0.000 0.359 423 F C 0.216 175.879 175.800 -0.228 0.000 1.122 423 F CA -0.321 57.702 58.000 0.039 0.000 1.160 423 F CB 0.461 39.562 39.000 0.169 0.000 1.146 423 F HN 0.522 nan 8.300 nan 0.000 0.514 424 N N 3.794 122.153 118.700 -0.568 0.000 2.599 424 N HA 0.096 4.836 4.740 -0.001 0.000 0.309 424 N C -1.379 173.916 175.510 -0.358 0.000 1.743 424 N CA -0.488 52.330 53.050 -0.387 0.000 0.918 424 N CB -0.422 38.000 38.487 -0.108 0.000 1.339 424 N HN 0.615 nan 8.380 nan 0.000 0.493 425 H N 0.115 118.698 119.070 -0.811 0.000 2.539 425 H HA 0.441 4.997 4.556 -0.001 0.000 0.332 425 H C -0.797 174.410 175.328 -0.201 0.000 1.031 425 H CA -0.659 55.091 56.048 -0.497 0.000 1.206 425 H CB 1.233 30.621 29.762 -0.623 0.000 1.446 425 H HN 0.147 nan 8.280 nan 0.000 0.496 426 R N 4.224 124.348 120.500 -0.626 0.000 2.202 426 R HA 0.537 4.877 4.340 -0.001 0.000 0.334 426 R C -0.454 175.575 176.300 -0.451 0.000 1.036 426 R CA -0.527 55.368 56.100 -0.341 0.000 0.878 426 R CB 0.283 30.483 30.300 -0.168 0.000 1.067 426 R HN 0.808 nan 8.270 nan 0.000 0.457 427 A N 2.873 125.684 122.820 -0.015 0.000 2.555 427 A HA -0.027 4.292 4.320 -0.001 0.000 0.233 427 A C 1.281 178.933 177.584 0.112 0.000 1.060 427 A CA 0.572 52.772 52.037 0.272 0.000 0.759 427 A CB 0.306 19.622 19.000 0.526 0.000 0.995 427 A HN 0.998 nan 8.150 nan 0.000 0.506 428 S N 0.952 116.746 115.700 0.158 0.000 2.453 428 S HA -0.136 4.333 4.470 -0.001 0.000 0.231 428 S C 0.871 175.455 174.600 -0.026 0.000 1.005 428 S CA 0.970 59.205 58.200 0.058 0.000 0.949 428 S CB -0.443 62.808 63.200 0.086 0.000 0.774 428 S HN 0.908 nan 8.310 nan 0.000 0.510 429 N N 0.952 119.596 118.700 -0.093 0.000 2.268 429 N HA 0.230 4.970 4.740 -0.001 0.000 0.204 429 N C -0.074 175.364 175.510 -0.120 0.000 1.124 429 N CA -0.287 52.660 53.050 -0.173 0.000 0.838 429 N CB -0.562 37.700 38.487 -0.375 0.000 0.994 429 N HN 0.380 nan 8.380 nan 0.000 0.489 430 L N 1.284 122.479 121.223 -0.048 0.000 2.499 430 L HA 0.010 4.349 4.340 -0.001 0.000 0.273 430 L C 1.393 178.214 176.870 -0.082 0.000 1.195 430 L CA -0.339 54.479 54.840 -0.036 0.000 0.882 430 L CB 1.002 43.048 42.059 -0.020 0.000 1.133 430 L HN 0.140 nan 8.230 nan 0.000 0.483 431 V N -0.452 119.361 119.914 -0.169 0.000 3.506 431 V HA 0.030 4.149 4.120 -0.001 0.000 0.263 431 V C 0.514 176.523 176.094 -0.142 0.000 1.203 431 V CA -0.426 61.734 62.300 -0.233 0.000 1.133 431 V CB -0.881 30.654 31.823 -0.479 0.000 0.802 431 V HN 0.583 nan 8.190 nan 0.000 0.459 432 W N 1.926 123.206 121.300 -0.033 0.000 2.161 432 W HA 0.509 5.169 4.660 -0.001 0.000 0.344 432 W C -1.630 174.778 176.519 -0.184 0.000 1.262 432 W CA -2.080 55.217 57.345 -0.081 0.000 1.270 432 W CB -0.240 29.092 29.460 -0.214 0.000 1.126 432 W HN -0.013 nan 8.180 nan 0.000 0.598 433 P HA -0.084 nan 4.420 nan 0.000 0.270 433 P C 0.379 177.562 177.300 -0.194 0.000 1.227 433 P CA 0.355 63.389 63.100 -0.109 0.000 0.788 433 P CB 0.930 32.559 31.700 -0.119 0.000 0.926 434 E N 0.961 121.124 120.200 -0.061 0.000 2.106 434 E HA -0.122 4.228 4.350 -0.001 0.000 0.192 434 E C 1.913 178.511 176.600 -0.003 0.000 0.984 434 E CA 1.259 57.648 56.400 -0.018 0.000 0.806 434 E CB -0.551 29.183 29.700 0.057 0.000 0.750 434 E HN 0.713 nan 8.360 nan 0.000 0.458 435 W N 0.311 121.650 121.300 0.066 0.000 2.424 435 W HA -0.078 4.582 4.660 -0.001 0.000 0.264 435 W C 1.363 177.941 176.519 0.099 0.000 1.229 435 W CA 0.430 57.823 57.345 0.080 0.000 1.208 435 W CB -0.835 28.673 29.460 0.081 0.000 1.127 435 W HN -0.010 nan 8.180 nan 0.000 0.588 436 M N 1.144 120.401 119.600 -0.572 0.000 2.506 436 M HA 0.146 4.625 4.480 -0.001 0.000 0.260 436 M C 1.769 177.974 176.300 -0.158 0.000 1.104 436 M CA 1.361 56.334 55.300 -0.544 0.000 1.112 436 M CB -0.564 31.534 32.600 -0.837 0.000 1.401 436 M HN 0.131 nan 8.290 nan 0.000 0.473 437 G N 0.671 109.424 108.800 -0.079 0.000 2.582 437 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.288 437 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.288 437 G C -0.153 174.741 174.900 -0.010 0.000 1.247 437 G CA -0.228 44.868 45.100 -0.006 0.000 0.972 437 G HN 0.204 nan 8.290 nan 0.000 0.557 438 V N 2.178 122.115 119.914 0.039 0.000 2.287 438 V HA 0.302 4.422 4.120 -0.001 0.000 0.246 438 V C 1.252 177.440 176.094 0.155 0.000 1.165 438 V CA 0.092 62.449 62.300 0.094 0.000 1.088 438 V CB -0.472 31.400 31.823 0.081 0.000 1.242 438 V HN 0.506 nan 8.190 nan 0.000 0.497 439 I N 2.920 123.566 120.570 0.126 0.000 2.754 439 I HA 0.060 4.229 4.170 -0.001 0.000 0.285 439 I C 0.988 177.335 176.117 0.383 0.000 1.166 439 I CA -0.343 61.071 61.300 0.188 0.000 1.417 439 I CB 0.137 38.133 38.000 -0.007 0.000 1.382 439 I HN 0.564 nan 8.210 nan 0.000 0.588 440 H N 4.400 123.608 119.070 0.229 0.000 3.125 440 H HA 0.129 4.684 4.556 -0.001 0.000 0.310 440 H C 1.030 176.409 175.328 0.085 0.000 0.980 440 H CA 0.954 57.091 56.048 0.148 0.000 1.422 440 H CB 0.175 29.991 29.762 0.089 0.000 1.432 440 H HN 0.768 nan 8.280 nan 0.000 0.577 441 G N 3.687 112.327 108.800 -0.267 0.000 2.179 441 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.260 441 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.260 441 G C 0.504 175.377 174.900 -0.045 0.000 0.977 441 G CA 0.517 45.443 45.100 -0.289 0.000 0.641 441 G HN 0.656 nan 8.290 nan 0.000 0.533 442 Y N 1.071 121.470 120.300 0.166 0.000 2.493 442 Y HA 0.233 4.783 4.550 -0.001 0.000 0.275 442 Y C 2.272 178.282 175.900 0.183 0.000 1.183 442 Y CA 0.823 59.087 58.100 0.274 0.000 1.258 442 Y CB 0.456 39.119 38.460 0.338 0.000 1.108 442 Y HN 0.491 nan 8.280 nan 0.000 0.521 443 E N -0.074 120.116 120.200 -0.016 0.000 2.340 443 E HA -0.055 4.295 4.350 -0.001 0.000 0.194 443 E C 1.703 178.251 176.600 -0.087 0.000 0.996 443 E CA 0.600 56.693 56.400 -0.512 0.000 0.869 443 E CB -0.465 28.690 29.700 -0.909 0.000 0.835 443 E HN 0.510 nan 8.360 nan 0.000 0.493 444 I N 2.773 123.391 120.570 0.081 0.000 2.151 444 I HA -0.334 3.836 4.170 -0.001 0.000 0.243 444 I C 2.651 178.859 176.117 0.151 0.000 1.080 444 I CA 2.268 63.677 61.300 0.182 0.000 1.339 444 I CB -0.430 37.724 38.000 0.256 0.000 1.039 444 I HN 0.236 nan 8.210 nan 0.000 0.409 445 E N 0.748 120.991 120.200 0.071 0.000 2.209 445 E HA -0.246 4.103 4.350 -0.001 0.000 0.196 445 E C 2.022 178.506 176.600 -0.192 0.000 0.993 445 E CA 1.525 57.880 56.400 -0.075 0.000 0.819 445 E CB -0.532 29.104 29.700 -0.107 0.000 0.745 445 E HN 0.443 nan 8.360 nan 0.000 0.477 446 F N 1.101 120.964 119.950 -0.145 0.000 2.293 446 F HA -0.021 4.505 4.527 -0.001 0.000 0.297 446 F C 2.375 178.017 175.800 -0.263 0.000 1.089 446 F CA 0.489 58.364 58.000 -0.209 0.000 1.377 446 F CB -0.246 38.657 39.000 -0.161 0.000 1.051 446 F HN -0.137 nan 8.300 nan 0.000 0.511 447 V N -0.913 118.941 119.914 -0.100 0.000 2.427 447 V HA -0.271 3.848 4.120 -0.001 0.000 0.248 447 V C 1.723 177.649 176.094 -0.280 0.000 1.051 447 V CA 1.638 63.745 62.300 -0.321 0.000 1.048 447 V CB -0.653 31.003 31.823 -0.278 0.000 0.666 447 V HN 0.203 nan 8.190 nan 0.000 0.456 448 F N 0.467 120.310 119.950 -0.178 0.000 2.797 448 F HA 0.397 4.924 4.527 -0.001 0.000 0.302 448 F C 1.797 177.515 175.800 -0.136 0.000 1.130 448 F CA 0.582 58.499 58.000 -0.138 0.000 1.387 448 F CB -0.404 38.503 39.000 -0.154 0.000 1.107 448 F HN 0.258 nan 8.300 nan 0.000 0.577 449 G N 0.543 109.277 108.800 -0.109 0.000 2.221 449 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.265 449 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.265 449 G C 1.038 175.648 174.900 -0.484 0.000 1.041 449 G CA 0.282 45.234 45.100 -0.246 0.000 0.807 449 G HN 0.254 nan 8.290 nan 0.000 0.502 450 L N -0.533 120.380 121.223 -0.517 0.000 2.191 450 L HA -0.028 4.312 4.340 -0.001 0.000 0.212 450 L C 0.226 176.705 176.870 -0.653 0.000 1.103 450 L CA 2.228 56.704 54.840 -0.607 0.000 0.769 450 L CB -1.821 40.016 42.059 -0.370 0.000 0.908 450 L HN 0.199 nan 8.230 nan 0.000 0.438 451 P HA -0.103 nan 4.420 nan 0.000 0.225 451 P C 1.991 179.064 177.300 -0.378 0.000 1.148 451 P CA 0.839 63.392 63.100 -0.912 0.000 0.779 451 P CB 0.106 31.196 31.700 -1.017 0.000 0.780 452 L N -1.609 119.395 121.223 -0.365 0.000 2.291 452 L HA -0.001 4.339 4.340 -0.001 0.000 0.214 452 L C 1.154 177.915 176.870 -0.181 0.000 1.120 452 L CA 0.482 55.188 54.840 -0.223 0.000 0.799 452 L CB -0.393 41.553 42.059 -0.188 0.000 0.925 452 L HN -0.113 nan 8.230 nan 0.000 0.446 453 V N 1.831 121.595 119.914 -0.251 0.000 2.339 453 V HA 0.078 4.198 4.120 -0.001 0.000 0.261 453 V C 1.298 177.358 176.094 -0.058 0.000 1.058 453 V CA -0.585 61.628 62.300 -0.145 0.000 0.897 453 V CB 0.630 32.344 31.823 -0.182 0.000 1.052 453 V HN 0.216 nan 8.190 nan 0.000 0.480 454 K N 4.720 125.100 120.400 -0.034 0.000 2.049 454 K HA -0.232 4.088 4.320 -0.001 0.000 0.219 454 K C 1.683 178.273 176.600 -0.016 0.000 1.056 454 K CA 2.224 58.504 56.287 -0.012 0.000 0.946 454 K CB -0.515 31.976 32.500 -0.015 0.000 0.723 454 K HN 0.897 nan 8.250 nan 0.000 0.453 455 E N 1.282 121.465 120.200 -0.027 0.000 2.339 455 E HA -0.176 4.173 4.350 -0.001 0.000 0.201 455 E C 2.100 178.666 176.600 -0.057 0.000 1.015 455 E CA 0.879 57.255 56.400 -0.039 0.000 0.841 455 E CB -0.710 28.969 29.700 -0.035 0.000 0.754 455 E HN 0.424 nan 8.360 nan 0.000 0.508 456 L N 0.262 121.458 121.223 -0.045 0.000 2.418 456 L HA 0.005 4.344 4.340 -0.001 0.000 0.218 456 L C -0.185 176.558 176.870 -0.212 0.000 1.125 456 L CA 0.162 54.949 54.840 -0.088 0.000 0.835 456 L CB -0.478 41.600 42.059 0.030 0.000 0.953 456 L HN 0.016 nan 8.230 nan 0.000 0.454 457 N N -0.831 117.793 118.700 -0.126 0.000 2.825 457 N HA -0.183 4.557 4.740 -0.001 0.000 0.253 457 N C -1.090 174.275 175.510 -0.241 0.000 1.097 457 N CA 0.657 53.612 53.050 -0.159 0.000 0.673 457 N CB -1.744 36.635 38.487 -0.181 0.000 0.923 457 N HN 0.247 nan 8.380 nan 0.000 0.561 458 Y N -0.189 120.076 120.300 -0.060 0.000 2.528 458 Y HA 0.477 5.027 4.550 -0.001 0.000 0.335 458 Y C 1.630 177.525 175.900 -0.008 0.000 1.093 458 Y CA -0.425 57.654 58.100 -0.034 0.000 1.134 458 Y CB 0.957 39.367 38.460 -0.084 0.000 1.253 458 Y HN 0.175 nan 8.280 nan 0.000 0.478 459 T N -1.709 112.969 114.554 0.205 0.000 2.766 459 T HA 0.334 4.684 4.350 -0.001 0.000 0.295 459 T C 1.222 175.982 174.700 0.100 0.000 1.024 459 T CA -0.125 62.050 62.100 0.125 0.000 1.018 459 T CB 1.060 70.004 68.868 0.128 0.000 1.002 459 T HN 0.789 nan 8.240 nan 0.000 0.532 460 A N 1.009 123.864 122.820 0.059 0.000 1.930 460 A HA -0.064 4.256 4.320 -0.001 0.000 0.217 460 A C 2.335 179.935 177.584 0.026 0.000 1.175 460 A CA 1.270 53.326 52.037 0.033 0.000 0.627 460 A CB -0.710 18.302 19.000 0.020 0.000 0.815 460 A HN 0.944 nan 8.150 nan 0.000 0.443 461 E N 0.572 120.792 120.200 0.032 0.000 2.208 461 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 461 E C 1.409 178.020 176.600 0.018 0.000 0.988 461 E CA 1.142 57.547 56.400 0.008 0.000 0.828 461 E CB -0.547 29.148 29.700 -0.009 0.000 0.763 461 E HN 0.779 nan 8.360 nan 0.000 0.478 462 E N 1.117 121.370 120.200 0.088 0.000 2.107 462 E HA -0.174 4.176 4.350 -0.001 0.000 0.191 462 E C 2.094 178.746 176.600 0.087 0.000 0.982 462 E CA 1.104 57.621 56.400 0.195 0.000 0.809 462 E CB -0.026 29.883 29.700 0.348 0.000 0.756 462 E HN 0.471 nan 8.360 nan 0.000 0.459 463 E N 1.033 121.232 120.200 -0.001 0.000 2.150 463 E HA -0.143 4.207 4.350 -0.001 0.000 0.193 463 E C 1.985 178.558 176.600 -0.046 0.000 0.985 463 E CA 0.936 57.290 56.400 -0.077 0.000 0.814 463 E CB -0.033 29.629 29.700 -0.064 0.000 0.752 463 E HN 0.176 nan 8.360 nan 0.000 0.466 464 A N 1.169 123.976 122.820 -0.021 0.000 1.898 464 A HA -0.118 4.202 4.320 -0.001 0.000 0.216 464 A C 2.161 179.728 177.584 -0.029 0.000 1.181 464 A CA 1.242 53.259 52.037 -0.033 0.000 0.620 464 A CB -0.638 18.343 19.000 -0.031 0.000 0.819 464 A HN 0.404 nan 8.150 nan 0.000 0.442 465 L N -0.273 120.956 121.223 0.010 0.000 2.046 465 L HA -0.082 4.257 4.340 -0.001 0.000 0.208 465 L C 2.555 179.474 176.870 0.081 0.000 1.077 465 L CA 2.514 57.373 54.840 0.032 0.000 0.747 465 L CB -0.832 41.249 42.059 0.036 0.000 0.896 465 L HN 0.326 nan 8.230 nan 0.000 0.432 466 S N -0.813 114.970 115.700 0.139 0.000 2.383 466 S HA -0.199 4.271 4.470 -0.001 0.000 0.229 466 S C 2.177 176.744 174.600 -0.055 0.000 1.030 466 S CA 1.376 59.610 58.200 0.057 0.000 1.002 466 S CB -0.190 62.931 63.200 -0.131 0.000 0.829 466 S HN 0.528 nan 8.310 nan 0.000 0.467 467 R N 0.116 120.576 120.500 -0.068 0.000 2.090 467 R HA 0.106 4.446 4.340 -0.001 0.000 0.228 467 R C 2.756 178.993 176.300 -0.104 0.000 1.110 467 R CA 1.105 57.156 56.100 -0.081 0.000 0.973 467 R CB -0.226 30.023 30.300 -0.085 0.000 0.869 467 R HN 0.324 nan 8.270 nan 0.000 0.440 468 R N 0.545 120.958 120.500 -0.145 0.000 2.083 468 R HA -0.096 4.244 4.340 -0.001 0.000 0.237 468 R C 2.264 178.354 176.300 -0.351 0.000 1.137 468 R CA 1.525 57.446 56.100 -0.298 0.000 0.951 468 R CB -0.282 29.862 30.300 -0.259 0.000 0.851 468 R HN 0.197 nan 8.270 nan 0.000 0.434 469 I N 0.227 120.714 120.570 -0.137 0.000 2.226 469 I HA -0.308 3.861 4.170 -0.001 0.000 0.245 469 I C 2.420 178.471 176.117 -0.111 0.000 1.100 469 I CA 1.317 62.565 61.300 -0.087 0.000 1.374 469 I CB -0.137 37.683 38.000 -0.301 0.000 1.057 469 I HN 0.256 nan 8.210 nan 0.000 0.413 470 M N -0.635 118.887 119.600 -0.129 0.000 2.213 470 M HA -0.255 4.224 4.480 -0.001 0.000 0.263 470 M C 2.281 178.623 176.300 0.069 0.000 1.062 470 M CA 1.669 56.923 55.300 -0.076 0.000 1.105 470 M CB -0.465 32.091 32.600 -0.074 0.000 1.385 470 M HN 0.269 nan 8.290 nan 0.000 0.417 471 H N -0.943 118.106 119.070 -0.034 0.000 2.436 471 H HA -0.085 4.471 4.556 -0.001 0.000 0.294 471 H C 1.409 176.833 175.328 0.160 0.000 1.048 471 H CA 1.624 57.672 56.048 -0.000 0.000 1.353 471 H CB 0.200 29.902 29.762 -0.100 0.000 1.414 471 H HN 0.256 nan 8.280 nan 0.000 0.536 472 Y N -0.769 119.697 120.300 0.276 0.000 2.109 472 Y HA -0.217 4.332 4.550 -0.001 0.000 0.285 472 Y C 2.463 178.582 175.900 0.364 0.000 1.131 472 Y CA 1.101 59.419 58.100 0.364 0.000 1.121 472 Y CB -1.107 37.771 38.460 0.697 0.000 0.987 472 Y HN 0.332 nan 8.280 nan 0.000 0.495 473 W N -0.344 121.064 121.300 0.180 0.000 2.335 473 W HA -0.269 4.391 4.660 -0.000 0.000 0.311 473 W C 2.572 179.088 176.519 -0.004 0.000 1.213 473 W CA 1.114 58.487 57.345 0.048 0.000 1.274 473 W CB -0.494 28.924 29.460 -0.069 0.000 1.148 473 W HN 0.074 nan 8.180 nan 0.000 0.498 474 A N -0.150 122.777 122.820 0.178 0.000 1.898 474 A HA -0.145 4.174 4.320 -0.001 0.000 0.216 474 A C 1.794 179.345 177.584 -0.056 0.000 1.181 474 A CA 2.103 54.148 52.037 0.013 0.000 0.620 474 A CB -1.158 17.828 19.000 -0.023 0.000 0.819 474 A HN 0.194 nan 8.150 nan 0.000 0.442 475 T N -0.889 113.598 114.554 -0.111 0.000 2.915 475 T HA -0.069 4.281 4.350 -0.001 0.000 0.269 475 T C 1.530 176.187 174.700 -0.071 0.000 1.071 475 T CA 1.397 63.399 62.100 -0.163 0.000 1.132 475 T CB -0.318 68.396 68.868 -0.255 0.000 0.878 475 T HN 0.510 nan 8.240 nan 0.000 0.479 476 F N 2.211 122.065 119.950 -0.160 0.000 2.163 476 F HA 0.214 4.741 4.527 -0.001 0.000 0.297 476 F C 2.376 178.085 175.800 -0.152 0.000 1.094 476 F CA 0.681 58.551 58.000 -0.217 0.000 1.290 476 F CB -0.615 38.190 39.000 -0.323 0.000 1.017 476 F HN 0.120 nan 8.300 nan 0.000 0.483 477 A N 0.452 123.148 122.820 -0.205 0.000 1.940 477 A HA -0.202 4.118 4.320 -0.001 0.000 0.219 477 A C 2.189 179.625 177.584 -0.247 0.000 1.176 477 A CA 1.970 53.853 52.037 -0.258 0.000 0.631 477 A CB -0.618 18.318 19.000 -0.106 0.000 0.814 477 A HN 0.499 nan 8.150 nan 0.000 0.446 478 K N -1.272 119.016 120.400 -0.187 0.000 2.137 478 K HA -0.031 4.289 4.320 -0.001 0.000 0.202 478 K C 1.914 178.419 176.600 -0.159 0.000 1.052 478 K CA 1.587 57.790 56.287 -0.140 0.000 0.961 478 K CB -0.027 32.414 32.500 -0.098 0.000 0.741 478 K HN 0.661 nan 8.250 nan 0.000 0.452 479 T N -4.408 110.027 114.554 -0.198 0.000 2.959 479 T HA 0.240 4.589 4.350 -0.001 0.000 0.254 479 T C 1.298 175.878 174.700 -0.201 0.000 1.003 479 T CA 0.409 62.411 62.100 -0.163 0.000 0.950 479 T CB 0.998 69.802 68.868 -0.105 0.000 1.090 479 T HN 0.259 nan 8.240 nan 0.000 0.503 480 G N 1.461 110.021 108.800 -0.399 0.000 2.157 480 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.239 480 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.239 480 G C -0.200 174.702 174.900 0.002 0.000 0.982 480 G CA 0.028 44.896 45.100 -0.387 0.000 0.650 480 G HN 0.852 nan 8.290 nan 0.000 0.527 481 N N -0.265 118.410 118.700 -0.042 0.000 2.478 481 N HA 0.421 5.160 4.740 -0.001 0.000 0.291 481 N C -1.657 173.738 175.510 -0.191 0.000 1.090 481 N CA -1.447 51.525 53.050 -0.131 0.000 0.911 481 N CB 2.432 40.912 38.487 -0.012 0.000 1.546 481 N HN -0.066 nan 8.380 nan 0.000 0.500 482 P HA -0.053 nan 4.420 nan 0.000 0.230 482 P C -0.469 176.894 177.300 0.106 0.000 1.158 482 P CA 0.666 63.647 63.100 -0.199 0.000 0.769 482 P CB 0.358 31.675 31.700 -0.638 0.000 0.807 483 N N 1.223 119.944 118.700 0.034 0.000 2.509 483 N HA 0.118 4.858 4.740 -0.001 0.000 0.287 483 N C 0.261 175.838 175.510 0.112 0.000 1.121 483 N CA -0.305 52.847 53.050 0.170 0.000 0.977 483 N CB 1.078 39.664 38.487 0.165 0.000 1.167 483 N HN 0.025 nan 8.380 nan 0.000 0.476 484 E N 1.828 122.123 120.200 0.157 0.000 2.344 484 E HA 0.092 4.442 4.350 -0.001 0.000 0.270 484 E C -1.337 175.285 176.600 0.038 0.000 1.021 484 E CA -1.427 55.040 56.400 0.111 0.000 0.887 484 E CB 0.826 30.628 29.700 0.170 0.000 0.997 484 E HN 0.324 nan 8.360 nan 0.000 0.429 485 P HA -0.196 nan 4.420 nan 0.000 0.214 485 P C 0.467 177.612 177.300 -0.257 0.000 1.164 485 P CA 1.644 64.597 63.100 -0.245 0.000 0.942 485 P CB 0.139 31.588 31.700 -0.418 0.000 0.791 486 H N -2.080 117.029 119.070 0.064 0.000 2.503 486 H HA 0.323 4.879 4.556 -0.001 0.000 0.296 486 H C 0.642 176.006 175.328 0.061 0.000 1.097 486 H CA -0.330 55.752 56.048 0.058 0.000 1.055 486 H CB -0.369 29.420 29.762 0.045 0.000 1.580 486 H HN 0.093 nan 8.280 nan 0.000 0.546 487 S N 0.537 116.322 115.700 0.142 0.000 2.580 487 S HA -0.008 4.461 4.470 -0.001 0.000 0.266 487 S C 1.300 175.966 174.600 0.110 0.000 1.354 487 S CA -0.085 58.187 58.200 0.119 0.000 1.008 487 S CB 0.984 64.257 63.200 0.121 0.000 0.898 487 S HN 0.332 nan 8.310 nan 0.000 0.555 488 Q N 0.379 120.230 119.800 0.086 0.000 2.281 488 Q HA 0.274 4.613 4.340 -0.001 0.000 0.215 488 Q C 0.068 176.111 176.000 0.072 0.000 0.867 488 Q CA 0.147 55.993 55.803 0.072 0.000 0.940 488 Q CB 0.089 28.859 28.738 0.052 0.000 1.111 488 Q HN 0.638 nan 8.270 nan 0.000 0.513 489 E N 1.064 121.313 120.200 0.081 0.000 2.416 489 E HA 0.126 4.475 4.350 -0.001 0.000 0.254 489 E C -0.083 176.585 176.600 0.114 0.000 1.241 489 E CA -0.006 56.447 56.400 0.088 0.000 0.969 489 E CB 0.480 30.238 29.700 0.096 0.000 0.999 489 E HN -0.118 nan 8.360 nan 0.000 0.481 490 S N 0.911 116.683 115.700 0.120 0.000 2.562 490 S HA 0.070 4.539 4.470 -0.001 0.000 0.281 490 S C 0.126 174.840 174.600 0.191 0.000 1.333 490 S CA -0.253 58.025 58.200 0.129 0.000 1.052 490 S CB 0.382 63.645 63.200 0.105 0.000 0.884 490 S HN 0.138 nan 8.310 nan 0.000 0.506 491 K N 2.243 122.749 120.400 0.178 0.000 2.183 491 K HA 0.147 4.467 4.320 -0.001 0.000 0.274 491 K C -0.527 176.246 176.600 0.288 0.000 1.009 491 K CA -0.458 55.968 56.287 0.233 0.000 0.888 491 K CB 0.751 33.365 32.500 0.190 0.000 1.078 491 K HN 0.667 nan 8.250 nan 0.000 0.459 492 W N 7.629 128.998 121.300 0.115 0.000 2.585 492 W HA 0.130 4.790 4.660 -0.000 0.000 0.337 492 W C -2.164 174.475 176.519 0.200 0.000 1.226 492 W CA -2.430 54.974 57.345 0.097 0.000 1.463 492 W CB -0.311 29.123 29.460 -0.043 0.000 1.458 492 W HN 0.398 nan 8.180 nan 0.000 0.458 493 P HA -0.037 nan 4.420 nan 0.000 0.270 493 P C -0.530 176.979 177.300 0.348 0.000 1.223 493 P CA -0.301 63.010 63.100 0.351 0.000 0.785 493 P CB 1.412 33.245 31.700 0.221 0.000 0.923 494 L N 2.371 123.665 121.223 0.119 0.000 2.395 494 L HA 0.357 4.696 4.340 -0.001 0.000 0.269 494 L C -0.200 176.669 176.870 -0.002 0.000 1.133 494 L CA -0.527 54.211 54.840 -0.170 0.000 0.812 494 L CB -0.197 41.750 42.059 -0.188 0.000 1.125 494 L HN 0.219 nan 8.230 nan 0.000 0.452 495 F N 3.635 123.484 119.950 -0.168 0.000 2.411 495 F HA 0.529 5.055 4.527 -0.001 0.000 0.350 495 F C 0.131 175.904 175.800 -0.046 0.000 1.114 495 F CA -0.160 57.825 58.000 -0.025 0.000 1.135 495 F CB 0.780 39.791 39.000 0.018 0.000 1.120 495 F HN 0.634 nan 8.300 nan 0.000 0.495 496 T N 1.128 115.394 114.554 -0.481 0.000 2.908 496 T HA 0.258 4.608 4.350 -0.001 0.000 0.290 496 T C 0.854 175.269 174.700 -0.475 0.000 1.034 496 T CA -0.489 61.420 62.100 -0.318 0.000 1.010 496 T CB 1.529 70.284 68.868 -0.188 0.000 1.068 496 T HN 0.541 nan 8.240 nan 0.000 0.481 497 T N 0.964 115.390 114.554 -0.214 0.000 2.778 497 T HA -0.123 4.226 4.350 -0.001 0.000 0.269 497 T C 1.694 176.292 174.700 -0.170 0.000 1.050 497 T CA 1.707 63.719 62.100 -0.147 0.000 1.137 497 T CB -0.232 68.595 68.868 -0.069 0.000 0.860 497 T HN 0.725 nan 8.240 nan 0.000 0.468 498 K N 0.519 120.822 120.400 -0.163 0.000 1.991 498 K HA -0.069 4.251 4.320 -0.001 0.000 0.208 498 K C 2.317 178.835 176.600 -0.137 0.000 1.038 498 K CA 1.016 57.230 56.287 -0.121 0.000 0.943 498 K CB 0.103 32.549 32.500 -0.089 0.000 0.736 498 K HN 0.102 nan 8.250 nan 0.000 0.440 499 E N 0.739 120.840 120.200 -0.166 0.000 2.158 499 E HA -0.133 4.216 4.350 -0.001 0.000 0.191 499 E C 0.172 176.665 176.600 -0.177 0.000 0.982 499 E CA 0.586 56.905 56.400 -0.135 0.000 0.823 499 E CB -0.030 29.610 29.700 -0.100 0.000 0.766 499 E HN 0.352 nan 8.360 nan 0.000 0.468 500 Q N 0.430 119.972 119.800 -0.430 0.000 2.475 500 Q HA -0.190 4.150 4.340 -0.001 0.000 0.280 500 Q C -0.665 175.318 176.000 -0.028 0.000 1.234 500 Q CA 0.624 56.076 55.803 -0.584 0.000 0.873 500 Q CB -1.504 27.120 28.738 -0.190 0.000 1.256 500 Q HN 0.226 nan 8.270 nan 0.000 0.475 501 K N 0.525 120.931 120.400 0.011 0.000 2.295 501 K HA 0.497 4.817 4.320 -0.001 0.000 0.270 501 K C 0.019 176.932 176.600 0.522 0.000 1.011 501 K CA 0.297 56.716 56.287 0.220 0.000 0.953 501 K CB 0.420 32.989 32.500 0.115 0.000 0.956 501 K HN 0.220 nan 8.250 nan 0.000 0.477 502 F N 0.209 120.333 119.950 0.289 0.000 2.711 502 F HA 0.604 5.130 4.527 -0.001 0.000 0.313 502 F C -1.254 174.666 175.800 0.200 0.000 1.141 502 F CA -1.485 56.714 58.000 0.331 0.000 0.941 502 F CB 0.851 40.050 39.000 0.331 0.000 1.349 502 F HN 0.429 nan 8.300 nan 0.000 0.464 503 I N -0.410 120.264 120.570 0.173 0.000 2.846 503 I HA 0.641 4.811 4.170 -0.001 0.000 0.307 503 I C -1.207 175.013 176.117 0.172 0.000 1.053 503 I CA -0.809 60.418 61.300 -0.122 0.000 1.050 503 I CB 2.012 39.777 38.000 -0.393 0.000 1.239 503 I HN 0.456 nan 8.210 nan 0.000 0.439 504 D N 3.414 123.887 120.400 0.122 0.000 2.264 504 D HA 0.483 5.123 4.640 -0.001 0.000 0.249 504 D C -0.969 175.406 176.300 0.124 0.000 1.070 504 D CA 0.094 54.280 54.000 0.310 0.000 0.912 504 D CB 2.215 43.197 40.800 0.305 0.000 1.193 504 D HN 0.329 nan 8.370 nan 0.000 0.427 505 L N 3.228 124.531 121.223 0.133 0.000 2.401 505 L HA 0.278 4.618 4.340 -0.001 0.000 0.263 505 L C -0.690 176.084 176.870 -0.161 0.000 1.004 505 L CA -0.315 54.545 54.840 0.032 0.000 0.881 505 L CB 0.189 42.348 42.059 0.166 0.000 1.219 505 L HN 0.465 nan 8.230 nan 0.000 0.441 506 N N -0.391 118.219 118.700 -0.150 0.000 3.522 506 N HA 0.359 5.098 4.740 -0.001 0.000 0.328 506 N C 0.114 175.492 175.510 -0.219 0.000 1.623 506 N CA -0.075 52.822 53.050 -0.256 0.000 0.812 506 N CB 0.433 38.825 38.487 -0.159 0.000 2.008 506 N HN 0.044 nan 8.380 nan 0.000 0.601 507 T N -3.487 110.899 114.554 -0.280 0.000 3.235 507 T HA 0.325 4.675 4.350 -0.001 0.000 0.251 507 T C -0.330 174.316 174.700 -0.089 0.000 1.060 507 T CA -0.055 61.925 62.100 -0.200 0.000 0.949 507 T CB -0.758 67.953 68.868 -0.262 0.000 1.020 507 T HN 0.470 nan 8.240 nan 0.000 0.564 508 E N 1.593 121.758 120.200 -0.058 0.000 2.249 508 E HA 0.444 4.794 4.350 -0.001 0.000 0.263 508 E C -2.756 173.835 176.600 -0.014 0.000 0.950 508 E CA -2.879 53.509 56.400 -0.020 0.000 0.827 508 E CB 0.855 30.556 29.700 0.002 0.000 1.220 508 E HN 0.095 nan 8.360 nan 0.000 0.411 509 P HA -0.100 nan 4.420 nan 0.000 0.260 509 P C -0.383 176.910 177.300 -0.011 0.000 1.185 509 P CA 0.435 63.533 63.100 -0.003 0.000 0.763 509 P CB 0.251 31.951 31.700 -0.000 0.000 0.776 510 M N 3.771 123.367 119.600 -0.007 0.000 2.226 510 M HA -0.082 4.398 4.480 -0.001 0.000 0.352 510 M C -0.459 175.795 176.300 -0.076 0.000 1.226 510 M CA 1.277 56.559 55.300 -0.031 0.000 0.943 510 M CB 0.043 32.642 32.600 -0.002 0.000 1.805 510 M HN 0.250 nan 8.290 nan 0.000 0.465 511 K N 4.142 124.453 120.400 -0.149 0.000 2.427 511 K HA 0.563 4.883 4.320 -0.001 0.000 0.252 511 K C -1.508 174.794 176.600 -0.496 0.000 0.931 511 K CA -0.953 55.162 56.287 -0.286 0.000 0.793 511 K CB 2.517 34.836 32.500 -0.301 0.000 1.211 511 K HN 0.501 nan 8.250 nan 0.000 0.426 512 V N 3.666 123.294 119.914 -0.476 0.000 2.539 512 V HA 0.344 4.463 4.120 -0.001 0.000 0.292 512 V C -0.011 175.666 176.094 -0.695 0.000 1.045 512 V CA -0.455 61.562 62.300 -0.471 0.000 0.945 512 V CB 1.158 32.862 31.823 -0.197 0.000 0.993 512 V HN 0.722 nan 8.190 nan 0.000 0.464 513 H N 2.508 121.270 119.070 -0.513 0.000 3.043 513 H HA 0.668 5.224 4.556 -0.001 0.000 0.302 513 H C -1.057 174.116 175.328 -0.259 0.000 1.506 513 H CA -0.803 54.951 56.048 -0.491 0.000 1.282 513 H CB 1.995 31.253 29.762 -0.841 0.000 1.914 513 H HN 0.562 nan 8.280 nan 0.000 0.625 514 Q N 0.111 120.015 119.800 0.173 0.000 2.418 514 Q HA 0.346 4.686 4.340 -0.001 0.000 0.282 514 Q C -0.781 175.440 176.000 0.367 0.000 1.044 514 Q CA -0.889 55.084 55.803 0.283 0.000 0.813 514 Q CB 2.984 31.802 28.738 0.133 0.000 1.428 514 Q HN 0.456 nan 8.270 nan 0.000 0.402 515 R N 0.941 121.637 120.500 0.326 0.000 3.059 515 R HA -0.208 4.132 4.340 -0.001 0.000 0.251 515 R C -0.496 175.908 176.300 0.173 0.000 0.886 515 R CA -0.114 56.121 56.100 0.225 0.000 0.634 515 R CB -1.465 28.920 30.300 0.142 0.000 1.282 515 R HN 0.433 nan 8.270 nan 0.000 0.487 516 L N 2.594 123.854 121.223 0.061 0.000 2.700 516 L HA -0.052 4.288 4.340 -0.001 0.000 0.272 516 L C 0.763 177.569 176.870 -0.107 0.000 1.176 516 L CA 0.783 55.459 54.840 -0.273 0.000 0.961 516 L CB -0.397 41.198 42.059 -0.772 0.000 1.249 516 L HN 0.462 nan 8.230 nan 0.000 0.487 517 R N 2.220 122.677 120.500 -0.072 0.000 3.225 517 R HA -0.189 4.151 4.340 -0.001 0.000 0.245 517 R C 1.216 177.562 176.300 0.077 0.000 0.928 517 R CA 0.568 56.675 56.100 0.013 0.000 0.632 517 R CB -1.987 28.335 30.300 0.036 0.000 1.038 517 R HN 0.735 nan 8.270 nan 0.000 0.461 518 V N -2.716 117.243 119.914 0.076 0.000 2.287 518 V HA -0.331 3.788 4.120 -0.001 0.000 0.248 518 V C 2.282 178.440 176.094 0.106 0.000 1.053 518 V CA 2.020 64.379 62.300 0.099 0.000 1.027 518 V CB -0.470 31.405 31.823 0.087 0.000 0.646 518 V HN 0.314 nan 8.190 nan 0.000 0.447 519 Q N -0.038 119.806 119.800 0.074 0.000 2.029 519 Q HA -0.209 4.131 4.340 -0.001 0.000 0.209 519 Q C 2.184 178.241 176.000 0.096 0.000 0.999 519 Q CA 2.522 58.356 55.803 0.051 0.000 0.857 519 Q CB -0.456 28.281 28.738 -0.001 0.000 0.926 519 Q HN 0.591 nan 8.270 nan 0.000 0.415 520 M N -1.330 118.357 119.600 0.144 0.000 2.200 520 M HA -0.051 4.429 4.480 -0.001 0.000 0.265 520 M C 2.629 179.216 176.300 0.478 0.000 1.066 520 M CA 1.392 56.874 55.300 0.304 0.000 1.127 520 M CB -1.767 31.077 32.600 0.408 0.000 1.379 520 M HN 0.574 nan 8.290 nan 0.000 0.420 521 C N 0.064 119.570 119.300 0.343 0.000 2.425 521 C HA 0.007 4.467 4.460 -0.001 0.000 0.277 521 C C 2.898 178.056 174.990 0.280 0.000 1.280 521 C CA 0.987 60.199 59.018 0.322 0.000 1.744 521 C CB -1.263 26.605 27.740 0.213 0.000 1.989 521 C HN 0.298 nan 8.230 nan 0.000 0.491 522 V N -0.232 119.817 119.914 0.225 0.000 2.515 522 V HA -0.137 3.983 4.120 -0.001 0.000 0.250 522 V C 2.279 178.492 176.094 0.199 0.000 1.058 522 V CA 2.077 64.486 62.300 0.181 0.000 1.064 522 V CB -0.828 31.075 31.823 0.134 0.000 0.675 522 V HN 0.702 nan 8.190 nan 0.000 0.461 523 F N -0.068 119.918 119.950 0.061 0.000 2.128 523 F HA -0.134 4.393 4.527 -0.000 0.000 0.295 523 F C 1.915 177.687 175.800 -0.046 0.000 1.100 523 F CA 1.505 59.486 58.000 -0.032 0.000 1.260 523 F CB -0.353 38.508 39.000 -0.232 0.000 1.009 523 F HN 0.171 nan 8.300 nan 0.000 0.476 524 W N 0.588 121.948 121.300 0.100 0.000 2.584 524 W HA -0.032 4.628 4.660 -0.001 0.000 0.264 524 W C 1.917 178.390 176.519 -0.077 0.000 1.264 524 W CA 0.603 57.928 57.345 -0.034 0.000 1.306 524 W CB -0.303 29.269 29.460 0.187 0.000 1.110 524 W HN -0.011 nan 8.180 nan 0.000 0.606 525 N N -0.866 117.924 118.700 0.151 0.000 2.414 525 N HA 0.003 4.743 4.740 -0.001 0.000 0.177 525 N C 1.440 176.936 175.510 -0.023 0.000 1.062 525 N CA 0.793 53.850 53.050 0.013 0.000 0.890 525 N CB -0.045 38.452 38.487 0.017 0.000 1.070 525 N HN 0.345 nan 8.380 nan 0.000 0.454 526 Q N -0.799 119.015 119.800 0.023 0.000 2.499 526 Q HA 0.175 4.515 4.340 -0.001 0.000 0.213 526 Q C 1.321 177.329 176.000 0.013 0.000 0.929 526 Q CA 0.097 55.919 55.803 0.033 0.000 0.904 526 Q CB 0.102 28.893 28.738 0.089 0.000 1.052 526 Q HN 0.117 nan 8.270 nan 0.000 0.589 527 F N 1.731 121.597 119.950 -0.141 0.000 2.074 527 F HA -0.150 4.377 4.527 -0.001 0.000 0.293 527 F C 1.977 177.606 175.800 -0.285 0.000 1.116 527 F CA 0.872 58.765 58.000 -0.178 0.000 1.212 527 F CB -0.343 38.581 39.000 -0.128 0.000 0.998 527 F HN 0.010 nan 8.300 nan 0.000 0.471 528 L N 1.091 121.906 121.223 -0.680 0.000 2.012 528 L HA -0.103 4.237 4.340 -0.001 0.000 0.210 528 L C -0.783 175.814 176.870 -0.455 0.000 1.073 528 L CA 2.236 56.624 54.840 -0.752 0.000 0.748 528 L CB -1.936 39.592 42.059 -0.884 0.000 0.891 528 L HN 0.012 nan 8.230 nan 0.000 0.431 529 P HA -0.241 nan 4.420 nan 0.000 0.215 529 P C 1.536 178.719 177.300 -0.196 0.000 1.157 529 P CA 1.762 64.762 63.100 -0.167 0.000 0.874 529 P CB -0.074 31.558 31.700 -0.113 0.000 0.790 530 K N -0.216 120.045 120.400 -0.232 0.000 2.032 530 K HA -0.171 4.149 4.320 -0.001 0.000 0.209 530 K C 2.072 178.504 176.600 -0.280 0.000 1.048 530 K CA 1.292 57.451 56.287 -0.212 0.000 0.927 530 K CB -0.870 31.523 32.500 -0.177 0.000 0.712 530 K HN 0.039 nan 8.250 nan 0.000 0.441 531 L N 1.023 121.953 121.223 -0.487 0.000 1.994 531 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 531 L C 2.167 178.874 176.870 -0.271 0.000 1.071 531 L CA 1.365 55.928 54.840 -0.461 0.000 0.745 531 L CB -0.237 41.374 42.059 -0.746 0.000 0.892 531 L HN 0.278 nan 8.230 nan 0.000 0.431 532 L N 0.143 121.212 121.223 -0.256 0.000 2.187 532 L HA -0.244 4.096 4.340 -0.001 0.000 0.213 532 L C 2.424 179.229 176.870 -0.109 0.000 1.100 532 L CA 1.375 56.118 54.840 -0.162 0.000 0.765 532 L CB -0.781 41.197 42.059 -0.135 0.000 0.904 532 L HN 0.514 nan 8.230 nan 0.000 0.437 533 N N 0.231 118.863 118.700 -0.113 0.000 2.290 533 N HA -0.089 4.650 4.740 -0.001 0.000 0.179 533 N C 1.844 177.314 175.510 -0.067 0.000 1.016 533 N CA 1.084 54.089 53.050 -0.075 0.000 0.871 533 N CB 0.273 38.719 38.487 -0.068 0.000 0.987 533 N HN 0.279 nan 8.380 nan 0.000 0.431 534 A N 0.354 123.124 122.820 -0.083 0.000 1.968 534 A HA 0.003 4.323 4.320 -0.001 0.000 0.217 534 A C 1.443 178.994 177.584 -0.054 0.000 1.169 534 A CA 1.427 53.427 52.037 -0.062 0.000 0.638 534 A CB -0.560 18.401 19.000 -0.065 0.000 0.812 534 A HN 0.555 nan 8.150 nan 0.000 0.446 535 T N 0.000 114.513 114.554 -0.068 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.067 62.100 -0.054 0.000 1.349 535 T CB 0.000 68.831 68.868 -0.062 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658