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 2hne_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRTIIALETH DVRFPTSREL DGSDAMNPDP DYSAAYVVLR TDGAEDLAGY DATA SEQUENCE GLVFTIGRGN DVQTAAVAAL AEHVVGLSVD KVIADLGAFA RRLTNDSQLR DATA SEQUENCE WLGPEKGVMH MAIGAVINAA WDLAARAANK PLWRFIAELT PEQLVDTIDF DATA SEQUENCE RYLSDALTRD EALAILRDAQ PQRAARTATL IEQGYPAYTT SPGWLGYSDE DATA SEQUENCE KLVRLAKEAV ADGFRTIKLK VGANVQDDIR RCRLARAAIG PDIAMAVDAN DATA SEQUENCE QRWDVGPAID WMRQLAEFDI AWIEEPTSPD DVLGHAAIRQ GITPVPVSTG DATA SEQUENCE EHTQNRVVFK QLLQAGAVDL IQIDAARVGG VNENLAILLL AAKFGVRVFP DATA SEQUENCE HAGGVGLCEL VQHLAMADFV AITGKMEDRA IEFVDHLHQH FLDPVRIQHG DATA SEQUENCE RYLAPEVPGF SAEMHPASIA EFSYPDGRFW VE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.293 176.300 -0.011 0.000 1.140 1 M CA 0.000 55.295 55.300 -0.009 0.000 0.988 1 M CB 0.000 32.596 32.600 -0.007 0.000 1.302 2 R N 2.746 123.236 120.500 -0.015 0.000 2.442 2 R HA 0.502 4.842 4.340 0.000 0.000 0.291 2 R C -0.603 175.684 176.300 -0.023 0.000 1.069 2 R CA 0.220 56.308 56.100 -0.020 0.000 1.022 2 R CB 1.036 31.320 30.300 -0.026 0.000 0.976 2 R HN 0.577 nan 8.270 nan 0.000 0.443 3 T N 2.984 117.526 114.554 -0.021 0.000 2.906 3 T HA 0.383 4.733 4.350 0.000 0.000 0.295 3 T C 0.132 174.817 174.700 -0.024 0.000 1.061 3 T CA -0.695 61.393 62.100 -0.019 0.000 1.000 3 T CB 1.526 70.388 68.868 -0.009 0.000 1.103 3 T HN 0.362 nan 8.240 nan 0.000 0.486 4 I N 3.421 123.978 120.570 -0.022 0.000 2.363 4 I HA 0.199 4.369 4.170 0.000 0.000 0.292 4 I C 1.522 177.632 176.117 -0.010 0.000 1.075 4 I CA 0.007 61.292 61.300 -0.025 0.000 1.333 4 I CB 0.567 38.557 38.000 -0.017 0.000 1.415 4 I HN 0.667 nan 8.210 nan 0.000 0.502 5 I N 3.491 124.052 120.570 -0.015 0.000 3.645 5 I HA 0.516 4.686 4.170 0.000 0.000 0.300 5 I C 0.715 176.829 176.117 -0.005 0.000 1.260 5 I CA 0.101 61.397 61.300 -0.007 0.000 1.365 5 I CB 0.285 38.282 38.000 -0.006 0.000 1.077 5 I HN 0.510 nan 8.210 nan 0.000 0.439 6 A N 1.388 124.201 122.820 -0.012 0.000 2.605 6 A HA 0.683 5.003 4.320 0.000 0.000 0.294 6 A C -1.908 175.662 177.584 -0.024 0.000 1.062 6 A CA -0.500 51.530 52.037 -0.012 0.000 0.682 6 A CB 1.528 20.523 19.000 -0.010 0.000 1.278 6 A HN 0.215 nan 8.150 nan 0.000 0.410 7 L N 1.918 123.129 121.223 -0.019 0.000 2.366 7 L HA 0.531 4.871 4.340 0.000 0.000 0.266 7 L C 0.041 176.883 176.870 -0.046 0.000 1.010 7 L CA -0.046 54.776 54.840 -0.030 0.000 0.879 7 L CB 0.851 42.908 42.059 -0.003 0.000 1.228 7 L HN 0.768 nan 8.230 nan 0.000 0.439 8 E N 2.109 122.270 120.200 -0.064 0.000 2.242 8 E HA 0.721 5.071 4.350 0.000 0.000 0.275 8 E C -0.919 175.593 176.600 -0.147 0.000 1.002 8 E CA -0.714 55.626 56.400 -0.099 0.000 0.841 8 E CB 1.452 31.121 29.700 -0.052 0.000 1.109 8 E HN 0.502 nan 8.360 nan 0.000 0.394 9 T N 0.053 114.451 114.554 -0.261 0.000 2.906 9 T HA 0.541 4.891 4.350 0.000 0.000 0.295 9 T C -0.997 173.461 174.700 -0.402 0.000 1.061 9 T CA -0.953 61.029 62.100 -0.195 0.000 1.000 9 T CB 1.188 70.010 68.868 -0.077 0.000 1.103 9 T HN 0.602 nan 8.240 nan 0.000 0.486 10 H N -0.029 119.139 119.070 0.164 0.000 2.771 10 H HA 0.536 5.092 4.556 -0.000 0.000 0.361 10 H C -1.355 174.067 175.328 0.158 0.000 1.108 10 H CA -0.699 55.458 56.048 0.182 0.000 1.201 10 H CB 1.692 31.617 29.762 0.271 0.000 1.681 10 H HN 0.655 nan 8.280 nan 0.000 0.534 11 D N 3.310 123.842 120.400 0.220 0.000 2.456 11 D HA 0.217 4.857 4.640 0.000 0.000 0.219 11 D C -0.887 175.497 176.300 0.140 0.000 1.126 11 D CA -0.263 53.824 54.000 0.146 0.000 0.890 11 D CB 0.307 41.177 40.800 0.117 0.000 1.025 11 D HN 0.226 nan 8.370 nan 0.000 0.511 12 V N 5.455 125.426 119.914 0.095 0.000 2.459 12 V HA 0.598 4.718 4.120 0.000 0.000 0.295 12 V C 0.198 176.209 176.094 -0.138 0.000 1.029 12 V CA -0.846 61.446 62.300 -0.013 0.000 0.874 12 V CB 1.609 33.386 31.823 -0.077 0.000 0.985 12 V HN 0.445 nan 8.190 nan 0.000 0.438 13 R N 3.691 124.074 120.500 -0.195 0.000 2.651 13 R HA 0.669 5.009 4.340 0.000 0.000 0.278 13 R C -1.923 174.297 176.300 -0.132 0.000 1.010 13 R CA -0.580 55.415 56.100 -0.174 0.000 0.896 13 R CB 1.781 31.953 30.300 -0.214 0.000 1.211 13 R HN 0.450 nan 8.270 nan 0.000 0.456 14 F N 1.800 121.842 119.950 0.153 0.000 2.480 14 F HA 0.413 4.940 4.527 -0.000 0.000 0.329 14 F C -1.541 174.318 175.800 0.097 0.000 1.091 14 F CA -2.668 55.273 58.000 -0.098 0.000 0.972 14 F CB 1.831 40.580 39.000 -0.417 0.000 1.150 14 F HN 0.335 nan 8.300 nan 0.000 0.467 15 P HA 0.016 nan 4.420 nan 0.000 0.228 15 P C 0.791 178.136 177.300 0.074 0.000 1.748 15 P CA 0.191 63.431 63.100 0.233 0.000 0.909 15 P CB -0.601 31.232 31.700 0.221 0.000 1.882 16 T N -3.118 111.432 114.554 -0.008 0.000 3.007 16 T HA -0.127 4.223 4.350 0.000 0.000 0.270 16 T C 1.748 176.341 174.700 -0.178 0.000 1.107 16 T CA 1.328 63.319 62.100 -0.183 0.000 1.118 16 T CB -0.878 67.686 68.868 -0.506 0.000 0.889 16 T HN 0.271 nan 8.240 nan 0.000 0.506 17 S N 1.153 116.805 115.700 -0.079 0.000 2.515 17 S HA 0.047 4.517 4.470 0.000 0.000 0.231 17 S C 1.985 176.578 174.600 -0.011 0.000 0.987 17 S CA -0.313 57.849 58.200 -0.063 0.000 0.936 17 S CB -0.357 62.835 63.200 -0.013 0.000 0.766 17 S HN 0.301 nan 8.310 nan 0.000 0.528 18 R N 1.156 121.670 120.500 0.024 0.000 2.152 18 R HA 0.132 4.472 4.340 0.000 0.000 0.232 18 R C 0.985 177.306 176.300 0.035 0.000 1.117 18 R CA 1.086 57.215 56.100 0.049 0.000 0.981 18 R CB -0.498 29.848 30.300 0.078 0.000 0.870 18 R HN 0.465 nan 8.270 nan 0.000 0.451 19 E N -0.747 119.462 120.200 0.017 0.000 2.562 19 E HA 0.263 4.613 4.350 0.000 0.000 0.214 19 E C 0.162 176.808 176.600 0.077 0.000 0.979 19 E CA -0.128 56.303 56.400 0.052 0.000 1.002 19 E CB 0.424 30.162 29.700 0.063 0.000 1.048 19 E HN 0.059 nan 8.360 nan 0.000 0.488 20 L N 0.988 122.195 121.223 -0.026 0.000 4.291 20 L HA -0.214 4.126 4.340 0.000 0.000 0.413 20 L C -0.817 175.880 176.870 -0.287 0.000 1.162 20 L CA 0.273 55.056 54.840 -0.095 0.000 0.961 20 L CB -1.108 40.963 42.059 0.020 0.000 2.095 20 L HN 0.191 nan 8.230 nan 0.000 0.838 21 D N 0.853 121.024 120.400 -0.382 0.000 2.389 21 D HA 0.382 5.022 4.640 0.000 0.000 0.247 21 D C 1.353 176.785 176.300 -1.446 0.000 1.128 21 D CA 1.271 54.771 54.000 -0.834 0.000 0.884 21 D CB 1.388 41.864 40.800 -0.541 0.000 1.194 21 D HN 0.382 nan 8.370 nan 0.000 0.441 22 G N 1.869 109.030 108.800 -2.732 0.000 2.195 22 G HA2 -0.294 3.666 3.960 0.000 0.000 0.246 22 G HA3 -0.294 3.666 3.960 0.000 0.000 0.246 22 G C 0.619 174.963 174.900 -0.928 0.000 0.984 22 G CA 0.371 44.111 45.100 -2.267 0.000 0.633 22 G HN 0.669 nan 8.290 nan 0.000 0.525 23 S N 1.181 116.492 115.700 -0.647 0.000 2.563 23 S HA 0.437 4.907 4.470 0.000 0.000 0.294 23 S C 0.297 174.916 174.600 0.032 0.000 1.279 23 S CA 1.227 59.303 58.200 -0.207 0.000 1.069 23 S CB 0.329 63.424 63.200 -0.175 0.000 0.828 23 S HN 1.202 nan 8.310 nan 0.000 0.497 24 D N 2.161 122.577 120.400 0.027 0.000 2.643 24 D HA 0.587 5.227 4.640 0.000 0.000 0.283 24 D C 0.625 176.926 176.300 0.000 0.000 1.242 24 D CA -0.253 53.781 54.000 0.056 0.000 0.863 24 D CB 0.553 41.414 40.800 0.102 0.000 1.382 24 D HN 0.399 nan 8.370 nan 0.000 0.444 25 A N -0.100 122.700 122.820 -0.034 0.000 1.940 25 A HA -0.145 4.175 4.320 0.000 0.000 0.219 25 A C 1.990 179.536 177.584 -0.063 0.000 1.176 25 A CA 2.482 54.483 52.037 -0.060 0.000 0.631 25 A CB -0.745 18.168 19.000 -0.145 0.000 0.814 25 A HN 0.601 nan 8.150 nan 0.000 0.446 26 M N -0.697 118.860 119.600 -0.071 0.000 2.552 26 M HA 0.169 4.649 4.480 0.000 0.000 0.264 26 M C -0.658 175.626 176.300 -0.027 0.000 1.159 26 M CA 0.738 56.004 55.300 -0.056 0.000 1.176 26 M CB 0.321 32.880 32.600 -0.070 0.000 1.327 26 M HN 0.234 nan 8.290 nan 0.000 0.481 27 N N 1.460 120.150 118.700 -0.017 0.000 2.706 27 N HA 0.294 5.034 4.740 0.000 0.000 0.240 27 N C -2.382 173.115 175.510 -0.020 0.000 1.039 27 N CA -1.179 51.865 53.050 -0.010 0.000 0.888 27 N CB 0.985 39.478 38.487 0.009 0.000 1.128 27 N HN 0.239 nan 8.380 nan 0.000 0.512 28 P HA -0.053 nan 4.420 nan 0.000 0.222 28 P C -0.268 177.005 177.300 -0.045 0.000 1.153 28 P CA 1.288 64.373 63.100 -0.025 0.000 0.798 28 P CB 0.407 32.101 31.700 -0.009 0.000 0.796 29 D N -1.403 118.970 120.400 -0.045 0.000 2.945 29 D HA 0.176 4.816 4.640 0.000 0.000 0.340 29 D C -2.652 173.616 176.300 -0.054 0.000 1.240 29 D CA -1.832 52.135 54.000 -0.055 0.000 0.749 29 D CB -0.085 40.700 40.800 -0.026 0.000 1.217 29 D HN 0.167 nan 8.370 nan 0.000 0.514 30 P HA 0.197 nan 4.420 nan 0.000 0.271 30 P C -0.531 176.766 177.300 -0.004 0.000 1.216 30 P CA 0.062 63.163 63.100 0.001 0.000 0.771 30 P CB 1.289 33.049 31.700 0.101 0.000 0.864 31 D N 2.665 123.102 120.400 0.060 0.000 2.479 31 D HA 0.166 4.806 4.640 0.000 0.000 0.247 31 D C 0.172 176.619 176.300 0.246 0.000 1.119 31 D CA -0.401 53.657 54.000 0.097 0.000 0.922 31 D CB -0.200 40.629 40.800 0.049 0.000 1.014 31 D HN 0.353 nan 8.370 nan 0.000 0.510 32 Y N 1.142 121.507 120.300 0.109 0.000 2.916 32 Y HA -0.106 4.444 4.550 -0.000 0.000 0.344 32 Y C 1.111 177.200 175.900 0.316 0.000 1.282 32 Y CA 0.182 58.452 58.100 0.284 0.000 1.604 32 Y CB 0.341 38.943 38.460 0.237 0.000 1.207 32 Y HN 0.108 nan 8.280 nan 0.000 0.561 33 S N 1.651 117.550 115.700 0.332 0.000 2.667 33 S HA 0.884 5.354 4.470 0.000 0.000 0.292 33 S C -0.964 173.773 174.600 0.228 0.000 1.126 33 S CA -0.842 57.472 58.200 0.189 0.000 0.881 33 S CB 2.114 65.298 63.200 -0.028 0.000 1.132 33 S HN 0.705 nan 8.310 nan 0.000 0.492 34 A N 0.592 123.522 122.820 0.183 0.000 2.459 34 A HA 0.779 5.099 4.320 0.000 0.000 0.296 34 A C -0.842 176.854 177.584 0.186 0.000 1.039 34 A CA -0.587 51.585 52.037 0.226 0.000 0.698 34 A CB 1.116 20.305 19.000 0.315 0.000 1.261 34 A HN 1.107 nan 8.150 nan 0.000 0.405 35 A N 1.977 124.899 122.820 0.169 0.000 2.650 35 A HA 0.529 4.849 4.320 0.000 0.000 0.320 35 A C -0.634 177.097 177.584 0.244 0.000 1.466 35 A CA -0.190 51.941 52.037 0.156 0.000 1.099 35 A CB -0.587 18.463 19.000 0.083 0.000 1.136 35 A HN 1.054 nan 8.150 nan 0.000 0.532 36 Y N 3.171 123.566 120.300 0.157 0.000 2.335 36 Y HA 0.427 4.977 4.550 -0.000 0.000 0.331 36 Y C 0.135 176.163 175.900 0.215 0.000 1.094 36 Y CA -0.330 57.892 58.100 0.204 0.000 1.253 36 Y CB 1.160 39.760 38.460 0.234 0.000 1.203 36 Y HN 0.699 nan 8.280 nan 0.000 0.508 37 V N 4.601 124.399 119.914 -0.194 0.000 2.789 37 V HA 0.855 4.975 4.120 0.000 0.000 0.311 37 V C -1.495 174.383 176.094 -0.359 0.000 1.073 37 V CA -0.988 61.194 62.300 -0.197 0.000 0.921 37 V CB 1.469 33.250 31.823 -0.070 0.000 1.009 37 V HN 0.495 nan 8.190 nan 0.000 0.426 38 V N 4.814 124.562 119.914 -0.276 0.000 2.577 38 V HA 0.484 4.604 4.120 0.000 0.000 0.303 38 V C -0.648 175.288 176.094 -0.263 0.000 1.042 38 V CA -0.487 61.583 62.300 -0.382 0.000 0.872 38 V CB 1.584 33.215 31.823 -0.320 0.000 0.998 38 V HN 0.809 nan 8.190 nan 0.000 0.423 39 L N 6.127 127.171 121.223 -0.299 0.000 2.268 39 L HA 0.502 4.842 4.340 0.000 0.000 0.289 39 L C 0.370 177.124 176.870 -0.194 0.000 1.064 39 L CA 0.127 54.857 54.840 -0.184 0.000 0.824 39 L CB 0.440 42.406 42.059 -0.154 0.000 1.202 39 L HN 0.486 nan 8.230 nan 0.000 0.433 40 R N 1.930 122.354 120.500 -0.127 0.000 2.349 40 R HA 0.585 4.925 4.340 0.000 0.000 0.299 40 R C 0.191 176.453 176.300 -0.064 0.000 1.027 40 R CA -0.213 55.831 56.100 -0.093 0.000 0.958 40 R CB 1.317 31.586 30.300 -0.052 0.000 1.047 40 R HN 0.699 nan 8.270 nan 0.000 0.468 41 T N -2.051 112.470 114.554 -0.056 0.000 2.910 41 T HA 0.440 4.790 4.350 0.000 0.000 0.287 41 T C -0.560 174.127 174.700 -0.023 0.000 1.050 41 T CA -1.008 61.067 62.100 -0.041 0.000 1.011 41 T CB 1.676 70.514 68.868 -0.051 0.000 1.195 41 T HN 0.445 nan 8.240 nan 0.000 0.540 42 D N -0.816 119.573 120.400 -0.017 0.000 2.177 42 D HA 0.637 5.277 4.640 0.000 0.000 0.247 42 D C 0.861 177.157 176.300 -0.007 0.000 1.063 42 D CA 0.138 54.133 54.000 -0.008 0.000 0.867 42 D CB 0.729 41.526 40.800 -0.006 0.000 1.168 42 D HN 1.258 nan 8.370 nan 0.000 0.445 43 G N 0.560 109.360 108.800 0.000 0.000 2.428 43 G HA2 0.338 4.298 3.960 0.000 0.000 0.202 43 G HA3 0.338 4.298 3.960 0.000 0.000 0.202 43 G C -0.221 174.683 174.900 0.007 0.000 1.247 43 G CA 0.088 45.189 45.100 0.002 0.000 1.020 43 G HN 1.287 nan 8.290 nan 0.000 0.529 44 A N -0.243 122.582 122.820 0.007 0.000 2.415 44 A HA 0.259 4.579 4.320 0.000 0.000 0.298 44 A C 1.503 179.100 177.584 0.021 0.000 1.070 44 A CA 2.006 54.051 52.037 0.014 0.000 1.116 44 A CB -0.384 18.623 19.000 0.011 0.000 0.849 44 A HN 1.610 nan 8.150 nan 0.000 0.478 45 E N 1.820 122.038 120.200 0.030 0.000 2.273 45 E HA -0.208 4.142 4.350 0.000 0.000 0.198 45 E C 1.259 177.896 176.600 0.061 0.000 1.002 45 E CA 1.642 58.067 56.400 0.043 0.000 0.828 45 E CB -0.045 29.686 29.700 0.052 0.000 0.747 45 E HN 0.745 nan 8.360 nan 0.000 0.491 46 D N -0.541 119.893 120.400 0.057 0.000 2.390 46 D HA -0.084 4.556 4.640 0.000 0.000 0.235 46 D C -0.391 175.947 176.300 0.065 0.000 1.040 46 D CA 0.158 54.202 54.000 0.072 0.000 0.923 46 D CB -0.047 40.786 40.800 0.055 0.000 0.886 46 D HN 0.106 nan 8.370 nan 0.000 0.532 47 L N 0.945 122.191 121.223 0.039 0.000 2.337 47 L HA 0.631 4.971 4.340 0.000 0.000 0.269 47 L C -1.101 175.758 176.870 -0.019 0.000 1.018 47 L CA -0.206 54.638 54.840 0.008 0.000 0.876 47 L CB 0.202 42.253 42.059 -0.013 0.000 1.236 47 L HN -0.052 nan 8.230 nan 0.000 0.436 48 A N 2.895 125.699 122.820 -0.027 0.000 2.610 48 A HA 0.842 5.162 4.320 0.000 0.000 0.291 48 A C -0.671 176.803 177.584 -0.184 0.000 1.086 48 A CA -0.167 51.779 52.037 -0.150 0.000 0.677 48 A CB 1.518 20.377 19.000 -0.235 0.000 1.278 48 A HN 0.679 nan 8.150 nan 0.000 0.414 49 G N -0.647 107.966 108.800 -0.312 0.000 2.452 49 G HA2 0.628 4.588 3.960 0.000 0.000 0.324 49 G HA3 0.628 4.588 3.960 0.000 0.000 0.324 49 G C -1.535 173.145 174.900 -0.367 0.000 1.214 49 G CA -0.315 44.670 45.100 -0.193 0.000 0.947 49 G HN 0.504 nan 8.290 nan 0.000 0.478 50 Y N -0.123 120.188 120.300 0.018 0.000 2.499 50 Y HA 0.758 5.308 4.550 -0.000 0.000 0.347 50 Y C 0.691 176.596 175.900 0.009 0.000 0.987 50 Y CA -0.275 57.811 58.100 -0.023 0.000 1.044 50 Y CB 2.976 41.468 38.460 0.055 0.000 1.245 50 Y HN 0.907 nan 8.280 nan 0.000 0.461 51 G N 1.999 110.861 108.800 0.104 0.000 2.608 51 G HA2 0.699 4.659 3.960 0.000 0.000 0.291 51 G HA3 0.699 4.659 3.960 0.000 0.000 0.291 51 G C -2.268 172.701 174.900 0.116 0.000 1.425 51 G CA -0.909 44.236 45.100 0.075 0.000 0.787 51 G HN 0.701 nan 8.290 nan 0.000 0.484 52 L N -2.442 118.855 121.223 0.122 0.000 2.775 52 L HA 0.860 5.200 4.340 0.000 0.000 0.263 52 L C -1.542 175.410 176.870 0.138 0.000 1.017 52 L CA -1.141 53.817 54.840 0.197 0.000 0.891 52 L CB 0.771 43.049 42.059 0.365 0.000 1.482 52 L HN 0.576 nan 8.230 nan 0.000 0.410 53 V N 1.876 121.879 119.914 0.148 0.000 2.417 53 V HA 0.452 4.572 4.120 0.000 0.000 0.291 53 V C -0.503 175.690 176.094 0.165 0.000 1.024 53 V CA -0.333 62.036 62.300 0.116 0.000 0.861 53 V CB 1.645 33.502 31.823 0.057 0.000 0.985 53 V HN 0.641 nan 8.190 nan 0.000 0.436 54 F N 4.377 124.343 119.950 0.026 0.000 2.420 54 F HA 0.635 5.162 4.527 -0.000 0.000 0.352 54 F C 0.355 176.152 175.800 -0.006 0.000 1.108 54 F CA 0.354 58.358 58.000 0.007 0.000 1.162 54 F CB 0.978 39.965 39.000 -0.022 0.000 1.118 54 F HN 0.508 nan 8.300 nan 0.000 0.510 55 T N 6.869 120.964 114.554 -0.764 0.000 2.907 55 T HA 0.466 4.816 4.350 0.000 0.000 0.290 55 T C 0.424 174.598 174.700 -0.877 0.000 1.066 55 T CA -0.499 61.193 62.100 -0.680 0.000 1.012 55 T CB 1.444 70.137 68.868 -0.291 0.000 1.184 55 T HN 0.513 nan 8.240 nan 0.000 0.522 56 I N -0.999 119.270 120.570 -0.502 0.000 3.654 56 I HA 0.701 4.871 4.170 0.000 0.000 0.337 56 I C 0.744 176.784 176.117 -0.128 0.000 1.568 56 I CA -0.462 60.683 61.300 -0.257 0.000 1.115 56 I CB -0.305 37.611 38.000 -0.140 0.000 1.300 56 I HN 0.835 nan 8.210 nan 0.000 0.471 57 G N 1.916 110.614 108.800 -0.170 0.000 2.214 57 G HA2 -0.106 3.854 3.960 0.000 0.000 0.200 57 G HA3 -0.106 3.854 3.960 0.000 0.000 0.200 57 G C -0.414 174.348 174.900 -0.229 0.000 1.126 57 G CA -0.809 44.173 45.100 -0.196 0.000 1.284 57 G HN 0.376 nan 8.290 nan 0.000 0.493 58 R N 1.294 121.678 120.500 -0.194 0.000 2.638 58 R HA 0.366 4.706 4.340 0.000 0.000 0.268 58 R C 1.487 177.706 176.300 -0.136 0.000 1.006 58 R CA 1.586 57.588 56.100 -0.163 0.000 1.088 58 R CB 0.055 30.287 30.300 -0.114 0.000 0.950 58 R HN 2.270 nan 8.270 nan 0.000 0.419 59 G N 1.858 110.591 108.800 -0.112 0.000 2.195 59 G HA2 -0.354 3.606 3.960 0.000 0.000 0.246 59 G HA3 -0.354 3.606 3.960 0.000 0.000 0.246 59 G C 0.793 175.639 174.900 -0.091 0.000 0.984 59 G CA 0.452 45.498 45.100 -0.090 0.000 0.633 59 G HN 0.665 nan 8.290 nan 0.000 0.525 60 N N 1.653 120.283 118.700 -0.116 0.000 2.309 60 N HA -0.044 4.696 4.740 0.000 0.000 0.182 60 N C 1.914 177.397 175.510 -0.045 0.000 1.018 60 N CA 1.922 54.915 53.050 -0.095 0.000 0.876 60 N CB -0.166 38.246 38.487 -0.126 0.000 0.972 60 N HN 0.644 nan 8.380 nan 0.000 0.434 61 D N -0.365 120.014 120.400 -0.036 0.000 2.183 61 D HA -0.126 4.514 4.640 0.000 0.000 0.203 61 D C 1.962 178.259 176.300 -0.004 0.000 0.969 61 D CA 1.071 55.073 54.000 0.003 0.000 0.842 61 D CB -0.749 40.067 40.800 0.027 0.000 0.957 61 D HN 0.263 nan 8.370 nan 0.000 0.484 62 V N -0.186 119.717 119.914 -0.019 0.000 2.591 62 V HA -0.160 3.960 4.120 0.000 0.000 0.249 62 V C 2.433 178.517 176.094 -0.017 0.000 1.053 62 V CA 1.708 63.998 62.300 -0.017 0.000 1.068 62 V CB -0.391 31.419 31.823 -0.022 0.000 0.689 62 V HN -0.005 nan 8.190 nan 0.000 0.462 63 Q N 0.936 120.721 119.800 -0.025 0.000 2.119 63 Q HA -0.120 4.220 4.340 0.000 0.000 0.201 63 Q C 2.158 178.156 176.000 -0.003 0.000 0.972 63 Q CA 2.730 58.520 55.803 -0.021 0.000 0.847 63 Q CB -0.924 27.794 28.738 -0.034 0.000 0.903 63 Q HN 0.678 nan 8.270 nan 0.000 0.433 64 T N 0.112 114.670 114.554 0.005 0.000 2.777 64 T HA -0.078 4.272 4.350 0.000 0.000 0.266 64 T C 1.659 176.362 174.700 0.005 0.000 1.040 64 T CA 1.250 63.361 62.100 0.018 0.000 1.141 64 T CB -0.490 68.397 68.868 0.032 0.000 0.868 64 T HN 0.461 nan 8.240 nan 0.000 0.444 65 A N 1.375 124.195 122.820 0.001 0.000 1.933 65 A HA 0.172 4.492 4.320 0.000 0.000 0.218 65 A C 2.629 180.210 177.584 -0.004 0.000 1.175 65 A CA 1.762 53.798 52.037 -0.002 0.000 0.628 65 A CB -1.037 17.962 19.000 -0.001 0.000 0.814 65 A HN 0.497 nan 8.150 nan 0.000 0.444 66 A N -0.457 122.359 122.820 -0.006 0.000 1.883 66 A HA -0.042 4.278 4.320 0.000 0.000 0.217 66 A C 2.217 179.791 177.584 -0.018 0.000 1.186 66 A CA 1.938 53.969 52.037 -0.010 0.000 0.624 66 A CB -0.941 18.053 19.000 -0.011 0.000 0.822 66 A HN 0.428 nan 8.150 nan 0.000 0.444 67 V N -0.250 119.656 119.914 -0.013 0.000 2.427 67 V HA -0.188 3.932 4.120 0.000 0.000 0.248 67 V C 3.005 179.088 176.094 -0.018 0.000 1.051 67 V CA 1.730 64.020 62.300 -0.016 0.000 1.048 67 V CB -1.235 30.587 31.823 -0.001 0.000 0.666 67 V HN 0.606 nan 8.190 nan 0.000 0.456 68 A N 0.269 123.080 122.820 -0.014 0.000 1.972 68 A HA -0.074 4.246 4.320 0.000 0.000 0.219 68 A C 2.314 179.896 177.584 -0.002 0.000 1.169 68 A CA 1.754 53.783 52.037 -0.013 0.000 0.635 68 A CB -0.643 18.347 19.000 -0.016 0.000 0.810 68 A HN 0.588 nan 8.150 nan 0.000 0.446 69 A N -0.673 122.145 122.820 -0.004 0.000 2.216 69 A HA 0.169 4.489 4.320 0.000 0.000 0.214 69 A C 1.752 179.340 177.584 0.007 0.000 1.160 69 A CA 0.936 52.980 52.037 0.010 0.000 0.725 69 A CB -0.481 18.523 19.000 0.007 0.000 0.784 69 A HN 0.486 nan 8.150 nan 0.000 0.472 70 L N -1.559 119.644 121.223 -0.033 0.000 2.592 70 L HA 0.092 4.432 4.340 0.000 0.000 0.227 70 L C 2.687 179.589 176.870 0.053 0.000 1.127 70 L CA 0.383 55.169 54.840 -0.089 0.000 0.884 70 L CB -0.368 41.604 42.059 -0.145 0.000 1.065 70 L HN 0.389 nan 8.230 nan 0.000 0.457 71 A N 0.842 123.699 122.820 0.062 0.000 1.884 71 A HA -0.246 4.074 4.320 0.000 0.000 0.219 71 A C 2.152 179.803 177.584 0.111 0.000 1.197 71 A CA 1.812 53.891 52.037 0.069 0.000 0.637 71 A CB -0.349 18.675 19.000 0.039 0.000 0.827 71 A HN 0.408 nan 8.150 nan 0.000 0.450 72 E N 0.160 120.443 120.200 0.137 0.000 2.136 72 E HA -0.264 4.086 4.350 0.000 0.000 0.202 72 E C 1.695 178.351 176.600 0.093 0.000 1.019 72 E CA 1.896 58.360 56.400 0.106 0.000 0.819 72 E CB -0.905 28.851 29.700 0.094 0.000 0.739 72 E HN 0.889 nan 8.360 nan 0.000 0.458 73 H N -0.649 118.423 119.070 0.004 0.000 2.502 73 H HA 0.062 4.618 4.556 0.000 0.000 0.283 73 H C 1.965 177.308 175.328 0.025 0.000 1.015 73 H CA 0.952 56.997 56.048 -0.005 0.000 1.298 73 H CB 0.596 30.334 29.762 -0.040 0.000 1.411 73 H HN 0.003 nan 8.280 nan 0.000 0.556 74 V N 0.944 120.971 119.914 0.187 0.000 2.908 74 V HA -0.044 4.076 4.120 0.000 0.000 0.240 74 V C 1.087 177.255 176.094 0.124 0.000 1.117 74 V CA 0.325 62.741 62.300 0.193 0.000 1.133 74 V CB 0.674 32.637 31.823 0.233 0.000 0.857 74 V HN 0.174 nan 8.190 nan 0.000 0.478 75 V N 0.936 120.899 119.914 0.083 0.000 2.540 75 V HA 0.592 4.712 4.120 0.000 0.000 0.297 75 V C 1.148 177.265 176.094 0.038 0.000 1.024 75 V CA 0.916 63.244 62.300 0.047 0.000 1.105 75 V CB -0.207 31.636 31.823 0.032 0.000 0.938 75 V HN 0.829 nan 8.190 nan 0.000 0.482 76 G N 3.175 111.992 108.800 0.027 0.000 2.238 76 G HA2 -0.183 3.777 3.960 0.000 0.000 0.217 76 G HA3 -0.183 3.777 3.960 0.000 0.000 0.217 76 G C 0.010 174.924 174.900 0.024 0.000 0.996 76 G CA -0.042 45.069 45.100 0.020 0.000 0.632 76 G HN 0.906 nan 8.290 nan 0.000 0.503 77 L N 1.772 123.019 121.223 0.041 0.000 2.439 77 L HA 0.502 4.842 4.340 0.000 0.000 0.269 77 L C 1.303 178.182 176.870 0.015 0.000 1.179 77 L CA 0.133 55.001 54.840 0.046 0.000 0.828 77 L CB 1.306 43.425 42.059 0.100 0.000 1.106 77 L HN 0.255 nan 8.230 nan 0.000 0.467 78 S N 1.123 116.828 115.700 0.008 0.000 2.488 78 S HA 0.106 4.576 4.470 0.000 0.000 0.278 78 S C 1.162 175.740 174.600 -0.037 0.000 1.259 78 S CA -0.828 57.365 58.200 -0.012 0.000 1.061 78 S CB 1.025 64.220 63.200 -0.009 0.000 0.910 78 S HN 0.400 nan 8.310 nan 0.000 0.491 79 V N 5.205 125.087 119.914 -0.053 0.000 2.282 79 V HA -0.188 3.932 4.120 0.000 0.000 0.249 79 V C 2.169 178.208 176.094 -0.093 0.000 1.057 79 V CA 2.372 64.619 62.300 -0.088 0.000 1.032 79 V CB -0.643 31.133 31.823 -0.078 0.000 0.645 79 V HN 0.855 nan 8.190 nan 0.000 0.447 80 D N -0.197 120.165 120.400 -0.062 0.000 2.123 80 D HA -0.237 4.403 4.640 0.000 0.000 0.196 80 D C 2.134 178.401 176.300 -0.055 0.000 0.992 80 D CA 1.597 55.564 54.000 -0.055 0.000 0.833 80 D CB -0.120 40.659 40.800 -0.035 0.000 0.954 80 D HN 0.468 nan 8.370 nan 0.000 0.455 81 K N 1.145 121.520 120.400 -0.041 0.000 2.097 81 K HA -0.102 4.218 4.320 0.000 0.000 0.205 81 K C 2.152 178.729 176.600 -0.039 0.000 1.050 81 K CA 0.639 56.911 56.287 -0.025 0.000 0.938 81 K CB 0.124 32.624 32.500 0.000 0.000 0.718 81 K HN -0.093 nan 8.250 nan 0.000 0.442 82 V N 1.551 121.414 119.914 -0.085 0.000 2.244 82 V HA -0.248 3.872 4.120 0.000 0.000 0.244 82 V C 2.253 178.207 176.094 -0.234 0.000 1.042 82 V CA 1.862 64.052 62.300 -0.183 0.000 1.006 82 V CB -0.328 31.267 31.823 -0.381 0.000 0.641 82 V HN 0.313 nan 8.190 nan 0.000 0.446 83 I N 0.706 121.139 120.570 -0.228 0.000 2.361 83 I HA -0.220 3.950 4.170 0.000 0.000 0.251 83 I C 2.487 178.520 176.117 -0.140 0.000 1.133 83 I CA 1.426 62.597 61.300 -0.214 0.000 1.413 83 I CB -0.533 37.369 38.000 -0.163 0.000 1.073 83 I HN 0.290 nan 8.210 nan 0.000 0.424 84 A N -0.871 121.891 122.820 -0.097 0.000 2.119 84 A HA -0.130 4.190 4.320 0.000 0.000 0.217 84 A C 0.984 178.530 177.584 -0.064 0.000 1.153 84 A CA 1.183 53.182 52.037 -0.064 0.000 0.692 84 A CB -0.075 18.900 19.000 -0.042 0.000 0.799 84 A HN 0.366 nan 8.150 nan 0.000 0.458 85 D N -0.271 120.086 120.400 -0.072 0.000 2.586 85 D HA 0.211 4.851 4.640 0.000 0.000 0.254 85 D C 0.551 176.829 176.300 -0.037 0.000 1.248 85 D CA -0.382 53.594 54.000 -0.039 0.000 0.843 85 D CB 0.229 41.033 40.800 0.006 0.000 1.332 85 D HN -0.039 nan 8.370 nan 0.000 0.523 86 L N 0.988 122.124 121.223 -0.145 0.000 2.191 86 L HA 0.050 4.390 4.340 0.000 0.000 0.212 86 L C 2.337 179.258 176.870 0.085 0.000 1.103 86 L CA 1.636 56.376 54.840 -0.168 0.000 0.769 86 L CB -1.304 40.340 42.059 -0.692 0.000 0.908 86 L HN 0.398 nan 8.230 nan 0.000 0.438 87 G N -0.365 108.488 108.800 0.088 0.000 2.418 87 G HA2 -0.183 3.777 3.960 0.000 0.000 0.217 87 G HA3 -0.183 3.777 3.960 0.000 0.000 0.217 87 G C 1.759 176.733 174.900 0.124 0.000 1.158 87 G CA 0.897 46.078 45.100 0.136 0.000 0.771 87 G HN 0.468 nan 8.290 nan 0.000 0.545 88 A N 0.310 123.193 122.820 0.105 0.000 1.898 88 A HA 0.122 4.442 4.320 0.000 0.000 0.216 88 A C 2.162 179.816 177.584 0.118 0.000 1.181 88 A CA 1.483 53.577 52.037 0.095 0.000 0.620 88 A CB -0.546 18.501 19.000 0.078 0.000 0.819 88 A HN 0.383 nan 8.150 nan 0.000 0.442 89 F N 1.174 121.132 119.950 0.013 0.000 2.095 89 F HA -0.116 4.411 4.527 0.000 0.000 0.298 89 F C 2.500 178.332 175.800 0.053 0.000 1.104 89 F CA 1.294 59.306 58.000 0.020 0.000 1.232 89 F CB -0.474 38.517 39.000 -0.015 0.000 0.987 89 F HN 0.247 nan 8.300 nan 0.000 0.475 90 A N 0.681 123.575 122.820 0.123 0.000 1.877 90 A HA -0.191 4.129 4.320 0.000 0.000 0.216 90 A C 2.347 179.919 177.584 -0.019 0.000 1.186 90 A CA 1.740 53.811 52.037 0.056 0.000 0.620 90 A CB -0.758 18.366 19.000 0.206 0.000 0.822 90 A HN 0.460 nan 8.150 nan 0.000 0.443 91 R N -0.944 119.570 120.500 0.023 0.000 2.120 91 R HA -0.117 4.223 4.340 0.000 0.000 0.234 91 R C 2.450 178.741 176.300 -0.015 0.000 1.123 91 R CA 1.285 57.396 56.100 0.019 0.000 0.975 91 R CB -0.332 29.992 30.300 0.040 0.000 0.866 91 R HN 0.644 nan 8.270 nan 0.000 0.446 92 R N 1.187 121.650 120.500 -0.062 0.000 2.105 92 R HA -0.139 4.201 4.340 0.000 0.000 0.239 92 R C 1.902 178.170 176.300 -0.053 0.000 1.135 92 R CA 1.375 57.436 56.100 -0.065 0.000 0.967 92 R CB -0.139 30.091 30.300 -0.117 0.000 0.861 92 R HN 0.199 nan 8.270 nan 0.000 0.442 93 L N -0.742 120.397 121.223 -0.139 0.000 2.102 93 L HA -0.020 4.320 4.340 0.000 0.000 0.202 93 L C 2.452 179.309 176.870 -0.021 0.000 1.076 93 L CA 1.269 56.043 54.840 -0.109 0.000 0.761 93 L CB -0.539 41.389 42.059 -0.219 0.000 0.921 93 L HN 0.182 nan 8.230 nan 0.000 0.444 94 T N -0.016 114.541 114.554 0.005 0.000 2.720 94 T HA -0.127 4.223 4.350 0.000 0.000 0.268 94 T C 1.515 176.253 174.700 0.064 0.000 1.037 94 T CA 1.345 63.486 62.100 0.068 0.000 1.144 94 T CB -0.212 68.712 68.868 0.094 0.000 0.864 94 T HN 0.233 nan 8.240 nan 0.000 0.444 95 N N 1.492 120.220 118.700 0.047 0.000 2.461 95 N HA -0.006 4.734 4.740 0.000 0.000 0.188 95 N C 0.148 175.695 175.510 0.061 0.000 1.134 95 N CA 0.181 53.261 53.050 0.051 0.000 0.878 95 N CB -0.180 38.328 38.487 0.037 0.000 0.972 95 N HN 0.412 nan 8.380 nan 0.000 0.456 96 D N 0.860 121.303 120.400 0.073 0.000 2.346 96 D HA -0.006 4.634 4.640 0.000 0.000 0.260 96 D C 1.251 177.612 176.300 0.101 0.000 1.252 96 D CA 0.037 54.094 54.000 0.095 0.000 0.895 96 D CB 0.876 41.769 40.800 0.156 0.000 1.097 96 D HN 0.140 nan 8.370 nan 0.000 0.489 97 S N 3.776 119.530 115.700 0.090 0.000 2.374 97 S HA -0.301 4.169 4.470 0.000 0.000 0.227 97 S C 1.497 176.181 174.600 0.141 0.000 1.037 97 S CA 1.171 59.435 58.200 0.107 0.000 1.024 97 S CB -0.334 62.912 63.200 0.076 0.000 0.861 97 S HN 0.689 nan 8.310 nan 0.000 0.456 98 Q N -0.028 119.841 119.800 0.115 0.000 2.297 98 Q HA 0.143 4.483 4.340 0.000 0.000 0.204 98 Q C 1.910 178.008 176.000 0.164 0.000 0.962 98 Q CA 0.612 56.490 55.803 0.125 0.000 0.879 98 Q CB -0.270 28.513 28.738 0.075 0.000 0.947 98 Q HN 0.414 nan 8.270 nan 0.000 0.462 99 L N 0.527 121.833 121.223 0.139 0.000 2.162 99 L HA -0.034 4.306 4.340 0.000 0.000 0.205 99 L C 2.197 179.134 176.870 0.112 0.000 1.086 99 L CA 1.453 56.357 54.840 0.106 0.000 0.778 99 L CB -0.352 41.743 42.059 0.060 0.000 0.928 99 L HN 0.045 nan 8.230 nan 0.000 0.446 100 R N -1.567 119.007 120.500 0.123 0.000 2.120 100 R HA -0.237 4.103 4.340 0.000 0.000 0.234 100 R C 2.132 178.490 176.300 0.097 0.000 1.123 100 R CA 1.312 57.469 56.100 0.095 0.000 0.975 100 R CB -0.514 29.848 30.300 0.104 0.000 0.866 100 R HN 0.489 nan 8.270 nan 0.000 0.446 101 W N 1.433 122.738 121.300 0.008 0.000 2.392 101 W HA -0.131 4.529 4.660 0.000 0.000 0.279 101 W C 0.838 177.354 176.519 -0.005 0.000 1.225 101 W CA 1.085 58.431 57.345 0.002 0.000 1.233 101 W CB 0.060 29.524 29.460 0.006 0.000 1.122 101 W HN 0.118 nan 8.180 nan 0.000 0.561 102 L N -0.120 121.141 121.223 0.064 0.000 2.599 102 L HA 0.124 4.464 4.340 0.000 0.000 0.230 102 L C 1.681 178.501 176.870 -0.082 0.000 1.141 102 L CA 0.646 55.482 54.840 -0.006 0.000 0.877 102 L CB -0.747 41.349 42.059 0.061 0.000 1.009 102 L HN -0.060 nan 8.230 nan 0.000 0.447 103 G N 0.138 108.868 108.800 -0.117 0.000 2.665 103 G HA2 0.273 4.233 3.960 0.000 0.000 0.204 103 G HA3 0.273 4.233 3.960 0.000 0.000 0.204 103 G C -2.461 172.322 174.900 -0.196 0.000 1.883 103 G CA 0.065 45.084 45.100 -0.134 0.000 0.734 103 G HN -0.039 nan 8.290 nan 0.000 0.811 104 P HA 0.344 nan 4.420 nan 0.000 0.290 104 P C -0.959 176.217 177.300 -0.207 0.000 1.275 104 P CA 0.003 63.027 63.100 -0.128 0.000 0.841 104 P CB 1.525 33.182 31.700 -0.072 0.000 1.042 105 E N 0.447 120.457 120.200 -0.317 0.000 2.252 105 E HA -0.214 4.136 4.350 0.000 0.000 0.218 105 E C -0.066 176.141 176.600 -0.654 0.000 1.253 105 E CA 0.775 56.647 56.400 -0.880 0.000 0.705 105 E CB -1.538 27.803 29.700 -0.598 0.000 1.172 105 E HN 0.656 nan 8.360 nan 0.000 0.369 106 K N -2.091 118.132 120.400 -0.295 0.000 2.685 106 K HA 0.595 4.915 4.320 0.000 0.000 0.290 106 K C 0.199 176.786 176.600 -0.022 0.000 1.018 106 K CA -0.593 55.632 56.287 -0.104 0.000 0.860 106 K CB 1.223 33.644 32.500 -0.133 0.000 1.498 106 K HN 0.404 nan 8.250 nan 0.000 0.390 107 G N 0.367 109.151 108.800 -0.028 0.000 2.697 107 G HA2 -0.264 3.696 3.960 0.000 0.000 0.240 107 G HA3 -0.264 3.696 3.960 0.000 0.000 0.240 107 G C 0.613 175.509 174.900 -0.007 0.000 1.346 107 G CA -0.073 45.002 45.100 -0.041 0.000 0.887 107 G HN 0.697 nan 8.290 nan 0.000 0.569 108 V N -0.208 119.690 119.914 -0.027 0.000 2.252 108 V HA -0.303 3.817 4.120 0.000 0.000 0.249 108 V C 2.944 179.041 176.094 0.005 0.000 1.056 108 V CA 3.492 65.781 62.300 -0.019 0.000 1.022 108 V CB -0.748 31.058 31.823 -0.028 0.000 0.641 108 V HN 0.745 nan 8.190 nan 0.000 0.445 109 M N -0.478 119.132 119.600 0.017 0.000 2.108 109 M HA -0.191 4.289 4.480 0.000 0.000 0.261 109 M C 2.040 178.381 176.300 0.067 0.000 1.066 109 M CA 2.021 57.338 55.300 0.029 0.000 1.107 109 M CB -0.952 31.666 32.600 0.031 0.000 1.356 109 M HN 0.531 nan 8.290 nan 0.000 0.406 110 H N -0.853 118.201 119.070 -0.026 0.000 2.363 110 H HA 0.023 4.579 4.556 0.000 0.000 0.301 110 H C 1.770 177.096 175.328 -0.003 0.000 1.074 110 H CA 2.078 58.118 56.048 -0.014 0.000 1.354 110 H CB -0.077 29.678 29.762 -0.012 0.000 1.397 110 H HN 0.382 nan 8.280 nan 0.000 0.516 111 M N -0.753 118.850 119.600 0.005 0.000 2.229 111 M HA -0.086 4.394 4.480 0.000 0.000 0.264 111 M C 2.504 178.775 176.300 -0.048 0.000 1.063 111 M CA 1.210 56.480 55.300 -0.048 0.000 1.114 111 M CB -0.122 32.471 32.600 -0.012 0.000 1.387 111 M HN 0.419 nan 8.290 nan 0.000 0.420 112 A N 0.767 123.569 122.820 -0.030 0.000 1.898 112 A HA -0.119 4.201 4.320 0.000 0.000 0.216 112 A C 2.033 179.593 177.584 -0.041 0.000 1.181 112 A CA 1.337 53.359 52.037 -0.025 0.000 0.620 112 A CB -0.755 18.231 19.000 -0.023 0.000 0.819 112 A HN 0.437 nan 8.150 nan 0.000 0.442 113 I N -0.308 120.221 120.570 -0.069 0.000 2.252 113 I HA -0.184 3.986 4.170 0.000 0.000 0.245 113 I C 2.680 178.753 176.117 -0.072 0.000 1.102 113 I CA 1.083 62.334 61.300 -0.083 0.000 1.385 113 I CB -0.565 37.387 38.000 -0.080 0.000 1.064 113 I HN 0.396 nan 8.210 nan 0.000 0.414 114 G N 0.455 109.167 108.800 -0.146 0.000 2.450 114 G HA2 -0.237 3.723 3.960 0.000 0.000 0.220 114 G HA3 -0.237 3.723 3.960 0.000 0.000 0.220 114 G C 1.831 176.741 174.900 0.017 0.000 1.130 114 G CA 0.846 45.890 45.100 -0.094 0.000 0.760 114 G HN 0.496 nan 8.290 nan 0.000 0.557 115 A N 0.063 122.892 122.820 0.016 0.000 1.898 115 A HA 0.145 4.465 4.320 0.000 0.000 0.216 115 A C 2.570 180.208 177.584 0.090 0.000 1.181 115 A CA 1.637 53.703 52.037 0.048 0.000 0.620 115 A CB -0.491 18.531 19.000 0.037 0.000 0.819 115 A HN 0.236 nan 8.150 nan 0.000 0.442 116 V N 0.238 120.209 119.914 0.095 0.000 2.427 116 V HA -0.231 3.889 4.120 0.000 0.000 0.248 116 V C 2.385 178.666 176.094 0.312 0.000 1.051 116 V CA 1.818 64.217 62.300 0.165 0.000 1.048 116 V CB -0.626 31.279 31.823 0.138 0.000 0.666 116 V HN 0.556 nan 8.190 nan 0.000 0.456 117 I N 0.344 121.104 120.570 0.317 0.000 2.226 117 I HA -0.206 3.964 4.170 0.000 0.000 0.245 117 I C 2.393 178.805 176.117 0.492 0.000 1.100 117 I CA 1.330 62.914 61.300 0.472 0.000 1.374 117 I CB -0.472 37.735 38.000 0.346 0.000 1.057 117 I HN 0.350 nan 8.210 nan 0.000 0.413 118 N N 1.211 120.122 118.700 0.353 0.000 2.120 118 N HA -0.137 4.603 4.740 0.000 0.000 0.188 118 N C 1.881 177.649 175.510 0.431 0.000 1.024 118 N CA 1.644 54.954 53.050 0.433 0.000 0.852 118 N CB -0.366 38.270 38.487 0.250 0.000 1.003 118 N HN 0.343 nan 8.380 nan 0.000 0.424 119 A N 0.694 123.665 122.820 0.251 0.000 1.972 119 A HA 0.050 4.370 4.320 0.000 0.000 0.219 119 A C 2.304 179.938 177.584 0.084 0.000 1.169 119 A CA 1.760 53.887 52.037 0.151 0.000 0.635 119 A CB -0.596 18.434 19.000 0.050 0.000 0.810 119 A HN 0.321 nan 8.150 nan 0.000 0.446 120 A N -1.564 121.299 122.820 0.071 0.000 1.929 120 A HA -0.063 4.257 4.320 0.000 0.000 0.216 120 A C 1.898 179.398 177.584 -0.140 0.000 1.176 120 A CA 1.200 53.126 52.037 -0.185 0.000 0.628 120 A CB -0.734 17.977 19.000 -0.483 0.000 0.816 120 A HN 0.710 nan 8.150 nan 0.000 0.444 121 W N 0.095 121.355 121.300 -0.067 0.000 2.418 121 W HA -0.040 4.620 4.660 0.000 0.000 0.292 121 W C 1.934 178.307 176.519 -0.243 0.000 1.213 121 W CA 1.238 58.503 57.345 -0.133 0.000 1.283 121 W CB -0.325 29.081 29.460 -0.092 0.000 1.119 121 W HN 0.504 nan 8.180 nan 0.000 0.542 122 D N 0.118 120.615 120.400 0.162 0.000 2.104 122 D HA -0.215 4.425 4.640 0.000 0.000 0.194 122 D C 2.071 178.332 176.300 -0.065 0.000 0.994 122 D CA 1.426 55.483 54.000 0.094 0.000 0.830 122 D CB -0.387 40.576 40.800 0.271 0.000 0.959 122 D HN -0.018 nan 8.370 nan 0.000 0.452 123 L N 0.518 121.689 121.223 -0.086 0.000 2.012 123 L HA -0.070 4.270 4.340 0.000 0.000 0.210 123 L C 2.228 178.949 176.870 -0.248 0.000 1.073 123 L CA 2.307 57.056 54.840 -0.151 0.000 0.748 123 L CB -1.118 40.834 42.059 -0.180 0.000 0.891 123 L HN 0.114 nan 8.230 nan 0.000 0.431 124 A N -0.738 121.862 122.820 -0.367 0.000 1.902 124 A HA -0.105 4.215 4.320 0.000 0.000 0.217 124 A C 2.442 179.504 177.584 -0.871 0.000 1.181 124 A CA 1.881 53.600 52.037 -0.530 0.000 0.623 124 A CB -1.157 17.494 19.000 -0.582 0.000 0.818 124 A HN 0.584 nan 8.150 nan 0.000 0.443 125 A N 0.093 122.325 122.820 -0.979 0.000 1.877 125 A HA -0.163 4.157 4.320 0.000 0.000 0.216 125 A C 2.247 179.608 177.584 -0.372 0.000 1.186 125 A CA 1.466 52.974 52.037 -0.882 0.000 0.620 125 A CB -0.474 18.200 19.000 -0.542 0.000 0.822 125 A HN 0.499 nan 8.150 nan 0.000 0.443 126 R N -0.163 120.198 120.500 -0.232 0.000 2.082 126 R HA -0.140 4.200 4.340 0.000 0.000 0.234 126 R C 2.423 178.667 176.300 -0.094 0.000 1.136 126 R CA 1.513 57.552 56.100 -0.102 0.000 0.935 126 R CB -1.391 28.884 30.300 -0.042 0.000 0.842 126 R HN 0.490 nan 8.270 nan 0.000 0.430 127 A N 1.551 124.298 122.820 -0.122 0.000 1.997 127 A HA -0.130 4.190 4.320 0.000 0.000 0.221 127 A C 2.217 179.776 177.584 -0.042 0.000 1.172 127 A CA 2.053 54.042 52.037 -0.079 0.000 0.645 127 A CB -0.463 18.480 19.000 -0.095 0.000 0.813 127 A HN 0.451 nan 8.150 nan 0.000 0.454 128 A N -1.544 121.248 122.820 -0.047 0.000 2.275 128 A HA 0.273 4.593 4.320 0.000 0.000 0.212 128 A C 0.663 178.262 177.584 0.026 0.000 1.201 128 A CA 0.352 52.417 52.037 0.046 0.000 0.843 128 A CB -0.279 18.857 19.000 0.227 0.000 0.873 128 A HN 0.488 nan 8.150 nan 0.000 0.492 129 N N 0.232 118.926 118.700 -0.011 0.000 2.738 129 N HA -0.122 4.618 4.740 0.000 0.000 0.249 129 N C -0.945 174.562 175.510 -0.005 0.000 1.047 129 N CA 1.289 54.337 53.050 -0.004 0.000 0.707 129 N CB -0.880 37.610 38.487 0.006 0.000 0.937 129 N HN 0.652 nan 8.380 nan 0.000 0.545 130 K N -0.175 120.213 120.400 -0.019 0.000 2.498 130 K HA 0.413 4.733 4.320 0.000 0.000 0.254 130 K C -2.671 173.890 176.600 -0.066 0.000 0.933 130 K CA -1.423 54.842 56.287 -0.037 0.000 0.806 130 K CB 3.288 35.802 32.500 0.024 0.000 1.301 130 K HN -0.134 nan 8.250 nan 0.000 0.432 131 P HA 0.005 nan 4.420 nan 0.000 0.271 131 P C 0.831 178.075 177.300 -0.094 0.000 1.218 131 P CA -0.497 62.607 63.100 0.008 0.000 0.780 131 P CB 0.836 32.630 31.700 0.157 0.000 0.901 132 L N 4.526 125.635 121.223 -0.190 0.000 2.051 132 L HA -0.170 4.170 4.340 0.000 0.000 0.214 132 L C 2.321 179.235 176.870 0.073 0.000 1.076 132 L CA 1.951 56.662 54.840 -0.214 0.000 0.758 132 L CB -1.600 40.016 42.059 -0.739 0.000 0.890 132 L HN 0.577 nan 8.230 nan 0.000 0.433 133 W N -0.213 121.260 121.300 0.288 0.000 2.338 133 W HA -0.208 4.452 4.660 0.000 0.000 0.304 133 W C 2.083 178.689 176.519 0.145 0.000 1.212 133 W CA 1.180 58.640 57.345 0.191 0.000 1.264 133 W CB -1.292 28.270 29.460 0.169 0.000 1.142 133 W HN 0.161 nan 8.180 nan 0.000 0.512 134 R N -0.246 119.801 120.500 -0.755 0.000 2.090 134 R HA -0.091 4.249 4.340 0.000 0.000 0.228 134 R C 2.308 178.488 176.300 -0.201 0.000 1.110 134 R CA 1.593 57.286 56.100 -0.677 0.000 0.973 134 R CB -1.029 28.695 30.300 -0.960 0.000 0.869 134 R HN 0.116 nan 8.270 nan 0.000 0.440 135 F N 1.917 121.727 119.950 -0.234 0.000 2.065 135 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 135 F C 2.007 177.799 175.800 -0.014 0.000 1.112 135 F CA 1.533 59.471 58.000 -0.102 0.000 1.212 135 F CB -0.220 38.738 39.000 -0.069 0.000 0.975 135 F HN -0.130 nan 8.300 nan 0.000 0.476 136 I N 0.118 120.758 120.570 0.118 0.000 2.163 136 I HA -0.267 3.903 4.170 0.000 0.000 0.240 136 I C 2.622 178.737 176.117 -0.004 0.000 1.081 136 I CA 1.237 62.580 61.300 0.071 0.000 1.353 136 I CB -1.060 36.999 38.000 0.099 0.000 1.054 136 I HN 0.199 nan 8.210 nan 0.000 0.407 137 A N 0.240 123.080 122.820 0.033 0.000 2.125 137 A HA -0.176 4.144 4.320 0.000 0.000 0.219 137 A C 1.931 179.500 177.584 -0.026 0.000 1.156 137 A CA 1.475 53.535 52.037 0.039 0.000 0.671 137 A CB -0.545 18.536 19.000 0.135 0.000 0.794 137 A HN 0.535 nan 8.150 nan 0.000 0.459 138 E N -0.736 119.410 120.200 -0.091 0.000 2.481 138 E HA 0.243 4.593 4.350 0.000 0.000 0.198 138 E C -0.347 176.167 176.600 -0.143 0.000 1.027 138 E CA -0.419 55.914 56.400 -0.111 0.000 0.900 138 E CB 0.184 29.807 29.700 -0.129 0.000 0.993 138 E HN 0.537 nan 8.360 nan 0.000 0.482 139 L N 2.111 123.235 121.223 -0.165 0.000 2.417 139 L HA 0.112 4.452 4.340 0.000 0.000 0.268 139 L C 1.067 177.889 176.870 -0.081 0.000 1.158 139 L CA -0.376 54.368 54.840 -0.161 0.000 0.819 139 L CB 0.462 42.429 42.059 -0.154 0.000 1.112 139 L HN 0.082 nan 8.230 nan 0.000 0.458 140 T N -1.005 113.509 114.554 -0.067 0.000 2.860 140 T HA 0.133 4.483 4.350 0.000 0.000 0.299 140 T C -1.877 172.815 174.700 -0.014 0.000 1.045 140 T CA -1.454 60.623 62.100 -0.037 0.000 1.071 140 T CB 1.003 69.851 68.868 -0.033 0.000 0.985 140 T HN 0.367 nan 8.240 nan 0.000 0.537 141 P HA -0.074 nan 4.420 nan 0.000 0.218 141 P C 1.255 178.572 177.300 0.029 0.000 1.148 141 P CA 0.992 64.101 63.100 0.016 0.000 0.822 141 P CB 0.083 31.788 31.700 0.010 0.000 0.784 142 E N -0.460 119.748 120.200 0.014 0.000 2.028 142 E HA -0.181 4.169 4.350 0.000 0.000 0.191 142 E C 2.153 178.772 176.600 0.032 0.000 0.988 142 E CA 1.251 57.663 56.400 0.019 0.000 0.799 142 E CB -0.903 28.799 29.700 0.003 0.000 0.755 142 E HN 0.344 nan 8.360 nan 0.000 0.447 143 Q N -0.054 119.754 119.800 0.012 0.000 2.181 143 Q HA -0.123 4.217 4.340 0.000 0.000 0.205 143 Q C 2.209 178.239 176.000 0.050 0.000 0.980 143 Q CA 0.912 56.721 55.803 0.009 0.000 0.862 143 Q CB -0.117 28.599 28.738 -0.038 0.000 0.905 143 Q HN 0.276 nan 8.270 nan 0.000 0.429 144 L N -0.491 120.770 121.223 0.063 0.000 2.005 144 L HA -0.175 4.165 4.340 0.000 0.000 0.207 144 L C 2.302 179.263 176.870 0.150 0.000 1.072 144 L CA 0.813 55.719 54.840 0.109 0.000 0.744 144 L CB -0.452 41.656 42.059 0.081 0.000 0.895 144 L HN 0.090 nan 8.230 nan 0.000 0.433 145 V N -0.225 119.788 119.914 0.165 0.000 2.392 145 V HA -0.313 3.807 4.120 0.000 0.000 0.249 145 V C 1.739 178.016 176.094 0.305 0.000 1.059 145 V CA 1.787 64.257 62.300 0.284 0.000 1.051 145 V CB -0.609 31.358 31.823 0.239 0.000 0.658 145 V HN 0.461 nan 8.190 nan 0.000 0.455 146 D N 0.097 120.608 120.400 0.186 0.000 2.378 146 D HA -0.077 4.563 4.640 0.000 0.000 0.227 146 D C 2.135 178.530 176.300 0.158 0.000 1.012 146 D CA 1.481 55.576 54.000 0.160 0.000 0.905 146 D CB 0.036 40.891 40.800 0.091 0.000 0.895 146 D HN 0.687 nan 8.370 nan 0.000 0.532 147 T N -1.881 112.781 114.554 0.179 0.000 3.057 147 T HA 0.092 4.442 4.350 0.000 0.000 0.254 147 T C 1.174 175.975 174.700 0.168 0.000 1.094 147 T CA -0.395 61.831 62.100 0.210 0.000 1.088 147 T CB 0.058 69.141 68.868 0.359 0.000 0.934 147 T HN 0.223 nan 8.240 nan 0.000 0.497 148 I N -0.491 120.127 120.570 0.080 0.000 2.676 148 I HA 0.607 4.777 4.170 0.000 0.000 0.309 148 I C -1.115 174.916 176.117 -0.143 0.000 0.990 148 I CA -0.891 60.347 61.300 -0.104 0.000 1.168 148 I CB 1.609 39.395 38.000 -0.357 0.000 1.343 148 I HN -0.233 nan 8.210 nan 0.000 0.482 149 D N 4.644 124.949 120.400 -0.158 0.000 2.441 149 D HA 0.222 4.862 4.640 0.000 0.000 0.221 149 D C 0.171 176.377 176.300 -0.156 0.000 1.156 149 D CA -0.212 53.745 54.000 -0.072 0.000 0.896 149 D CB 0.097 40.890 40.800 -0.011 0.000 1.028 149 D HN 0.500 nan 8.370 nan 0.000 0.509 150 F N 1.611 121.571 119.950 0.017 0.000 2.802 150 F HA 0.078 4.605 4.527 -0.000 0.000 0.300 150 F C 1.730 177.519 175.800 -0.018 0.000 1.168 150 F CA -0.038 57.972 58.000 0.016 0.000 1.433 150 F CB -0.130 38.881 39.000 0.019 0.000 1.115 150 F HN 0.146 nan 8.300 nan 0.000 0.582 151 R N 0.300 120.816 120.500 0.027 0.000 2.537 151 R HA -0.069 4.271 4.340 0.000 0.000 0.280 151 R C -0.272 175.931 176.300 -0.161 0.000 1.058 151 R CA 0.232 56.215 56.100 -0.196 0.000 1.057 151 R CB -0.013 30.038 30.300 -0.415 0.000 0.973 151 R HN 0.311 nan 8.270 nan 0.000 0.438 152 Y N 1.446 121.793 120.300 0.078 0.000 4.907 152 Y HA -0.257 4.293 4.550 0.000 0.000 0.246 152 Y C 0.479 176.424 175.900 0.075 0.000 0.968 152 Y CA 0.615 58.751 58.100 0.060 0.000 1.961 152 Y CB -1.886 36.596 38.460 0.036 0.000 1.487 152 Y HN 0.656 nan 8.280 nan 0.000 0.575 153 L N -1.047 120.305 121.223 0.215 0.000 2.878 153 L HA 0.109 4.449 4.340 0.000 0.000 0.253 153 L C 2.013 179.006 176.870 0.204 0.000 1.135 153 L CA 0.793 55.754 54.840 0.203 0.000 0.943 153 L CB 0.078 42.254 42.059 0.194 0.000 1.307 153 L HN 0.240 nan 8.230 nan 0.000 0.545 154 S N -0.047 115.760 115.700 0.178 0.000 2.462 154 S HA -0.200 4.270 4.470 0.000 0.000 0.243 154 S C 1.346 176.018 174.600 0.120 0.000 1.003 154 S CA 1.445 59.728 58.200 0.137 0.000 0.970 154 S CB -0.452 62.804 63.200 0.093 0.000 0.762 154 S HN 0.602 nan 8.310 nan 0.000 0.510 155 D N 0.631 121.110 120.400 0.131 0.000 2.340 155 D HA 0.340 4.980 4.640 0.000 0.000 0.220 155 D C 1.262 177.651 176.300 0.150 0.000 1.039 155 D CA 0.692 54.763 54.000 0.119 0.000 0.866 155 D CB 0.144 41.009 40.800 0.109 0.000 0.913 155 D HN 0.596 nan 8.370 nan 0.000 0.523 156 A N -0.245 122.689 122.820 0.190 0.000 1.895 156 A HA 0.360 4.680 4.320 0.000 0.000 0.198 156 A C 0.213 177.950 177.584 0.255 0.000 1.709 156 A CA -0.113 52.092 52.037 0.279 0.000 1.194 156 A CB 0.622 19.846 19.000 0.373 0.000 1.260 156 A HN 0.143 nan 8.150 nan 0.000 0.441 157 L N 1.825 123.191 121.223 0.238 0.000 2.518 157 L HA 0.517 4.857 4.340 0.000 0.000 0.262 157 L C -0.066 176.967 176.870 0.271 0.000 0.982 157 L CA 0.147 55.133 54.840 0.243 0.000 0.873 157 L CB 1.462 43.687 42.059 0.277 0.000 1.198 157 L HN 0.341 nan 8.230 nan 0.000 0.427 158 T N 0.064 114.704 114.554 0.145 0.000 2.847 158 T HA 0.339 4.689 4.350 0.000 0.000 0.279 158 T C 1.115 175.720 174.700 -0.158 0.000 0.984 158 T CA -0.260 61.852 62.100 0.020 0.000 0.988 158 T CB 1.291 70.141 68.868 -0.031 0.000 1.040 158 T HN 0.702 nan 8.240 nan 0.000 0.528 159 R N 0.153 120.294 120.500 -0.598 0.000 2.081 159 R HA -0.118 4.222 4.340 0.000 0.000 0.235 159 R C 1.472 177.572 176.300 -0.334 0.000 1.131 159 R CA 1.939 57.467 56.100 -0.954 0.000 0.960 159 R CB -0.415 29.303 30.300 -0.970 0.000 0.856 159 R HN 0.717 nan 8.270 nan 0.000 0.436 160 D N 0.078 120.356 120.400 -0.203 0.000 2.224 160 D HA -0.123 4.517 4.640 0.000 0.000 0.205 160 D C 1.468 177.740 176.300 -0.047 0.000 0.965 160 D CA 0.993 54.932 54.000 -0.100 0.000 0.852 160 D CB -0.008 40.745 40.800 -0.079 0.000 0.947 160 D HN 0.441 nan 8.370 nan 0.000 0.494 161 E N 0.606 120.789 120.200 -0.029 0.000 2.150 161 E HA -0.065 4.285 4.350 0.000 0.000 0.193 161 E C 2.037 178.665 176.600 0.047 0.000 0.985 161 E CA 0.689 57.096 56.400 0.012 0.000 0.814 161 E CB 0.107 29.825 29.700 0.030 0.000 0.752 161 E HN 0.166 nan 8.360 nan 0.000 0.466 162 A N 0.804 123.675 122.820 0.085 0.000 1.897 162 A HA -0.089 4.231 4.320 0.000 0.000 0.215 162 A C 2.107 179.743 177.584 0.086 0.000 1.181 162 A CA 0.714 52.837 52.037 0.143 0.000 0.620 162 A CB -0.445 18.748 19.000 0.321 0.000 0.821 162 A HN 0.122 nan 8.150 nan 0.000 0.443 163 L N -0.571 120.680 121.223 0.046 0.000 2.083 163 L HA -0.190 4.150 4.340 0.000 0.000 0.209 163 L C 3.057 179.936 176.870 0.014 0.000 1.083 163 L CA 0.962 55.817 54.840 0.025 0.000 0.752 163 L CB -0.492 41.565 42.059 -0.004 0.000 0.899 163 L HN 0.435 nan 8.230 nan 0.000 0.433 164 A N 0.420 123.245 122.820 0.009 0.000 1.902 164 A HA -0.192 4.128 4.320 0.000 0.000 0.217 164 A C 2.218 179.806 177.584 0.007 0.000 1.181 164 A CA 1.611 53.649 52.037 0.002 0.000 0.623 164 A CB -0.646 18.352 19.000 -0.003 0.000 0.818 164 A HN 0.346 nan 8.150 nan 0.000 0.443 165 I N -0.429 120.152 120.570 0.018 0.000 2.142 165 I HA -0.266 3.904 4.170 0.000 0.000 0.240 165 I C 2.291 178.416 176.117 0.013 0.000 1.078 165 I CA 1.308 62.619 61.300 0.018 0.000 1.343 165 I CB -0.369 37.652 38.000 0.035 0.000 1.046 165 I HN 0.265 nan 8.210 nan 0.000 0.405 166 L N -0.020 121.216 121.223 0.022 0.000 2.201 166 L HA -0.128 4.212 4.340 0.000 0.000 0.212 166 L C 2.606 179.478 176.870 0.002 0.000 1.105 166 L CA 1.081 55.930 54.840 0.015 0.000 0.775 166 L CB -0.458 41.619 42.059 0.030 0.000 0.913 166 L HN 0.157 nan 8.230 nan 0.000 0.440 167 R N -0.355 120.146 120.500 0.001 0.000 2.127 167 R HA -0.065 4.275 4.340 0.000 0.000 0.217 167 R C 1.533 177.826 176.300 -0.012 0.000 1.074 167 R CA 0.877 56.974 56.100 -0.006 0.000 0.991 167 R CB -0.074 30.223 30.300 -0.006 0.000 0.895 167 R HN 0.257 nan 8.270 nan 0.000 0.450 168 D N 0.363 120.756 120.400 -0.011 0.000 2.312 168 D HA -0.051 4.589 4.640 0.000 0.000 0.211 168 D C 1.219 177.505 176.300 -0.023 0.000 0.964 168 D CA 0.882 54.873 54.000 -0.016 0.000 0.877 168 D CB 0.175 40.967 40.800 -0.014 0.000 0.924 168 D HN 0.238 nan 8.370 nan 0.000 0.515 169 A N -0.040 122.765 122.820 -0.026 0.000 2.252 169 A HA 0.028 4.348 4.320 0.000 0.000 0.213 169 A C 1.935 179.495 177.584 -0.042 0.000 1.188 169 A CA 0.084 52.096 52.037 -0.041 0.000 0.863 169 A CB -0.118 18.855 19.000 -0.045 0.000 0.893 169 A HN 0.093 nan 8.150 nan 0.000 0.495 170 Q N 0.441 120.224 119.800 -0.028 0.000 2.084 170 Q HA -0.119 4.221 4.340 0.000 0.000 0.202 170 Q C -0.833 175.151 176.000 -0.027 0.000 0.978 170 Q CA 2.018 57.805 55.803 -0.026 0.000 0.844 170 Q CB -0.682 28.044 28.738 -0.020 0.000 0.898 170 Q HN 0.460 nan 8.270 nan 0.000 0.426 171 P HA -0.141 nan 4.420 nan 0.000 0.215 171 P C 0.398 177.682 177.300 -0.027 0.000 1.153 171 P CA 1.309 64.395 63.100 -0.023 0.000 0.853 171 P CB 0.069 31.756 31.700 -0.021 0.000 0.788 172 Q N -1.608 118.168 119.800 -0.040 0.000 2.365 172 Q HA 0.114 4.454 4.340 0.000 0.000 0.203 172 Q C 1.810 177.771 176.000 -0.064 0.000 0.929 172 Q CA 0.230 56.003 55.803 -0.051 0.000 0.948 172 Q CB -0.341 28.356 28.738 -0.069 0.000 1.043 172 Q HN 0.112 nan 8.270 nan 0.000 0.505 173 R N 0.077 120.548 120.500 -0.049 0.000 2.081 173 R HA -0.112 4.228 4.340 0.000 0.000 0.235 173 R C 1.991 178.289 176.300 -0.003 0.000 1.131 173 R CA 1.457 57.535 56.100 -0.038 0.000 0.960 173 R CB -0.287 30.001 30.300 -0.020 0.000 0.856 173 R HN 0.335 nan 8.270 nan 0.000 0.436 174 A N 0.653 123.475 122.820 0.004 0.000 1.877 174 A HA -0.134 4.186 4.320 0.000 0.000 0.216 174 A C 2.312 179.918 177.584 0.037 0.000 1.186 174 A CA 1.753 53.804 52.037 0.025 0.000 0.620 174 A CB -0.850 18.159 19.000 0.015 0.000 0.822 174 A HN 0.427 nan 8.150 nan 0.000 0.443 175 A N -0.134 122.696 122.820 0.016 0.000 1.858 175 A HA -0.178 4.142 4.320 0.000 0.000 0.216 175 A C 2.246 179.857 177.584 0.045 0.000 1.190 175 A CA 1.548 53.600 52.037 0.024 0.000 0.617 175 A CB -0.546 18.457 19.000 0.005 0.000 0.827 175 A HN 0.531 nan 8.150 nan 0.000 0.443 176 R N -0.906 119.592 120.500 -0.003 0.000 2.127 176 R HA -0.098 4.242 4.340 0.000 0.000 0.238 176 R C 2.143 178.550 176.300 0.178 0.000 1.134 176 R CA 1.710 57.809 56.100 -0.002 0.000 0.975 176 R CB -0.841 29.222 30.300 -0.396 0.000 0.865 176 R HN 0.537 nan 8.270 nan 0.000 0.447 177 T N 0.869 115.516 114.554 0.154 0.000 2.833 177 T HA -0.114 4.236 4.350 0.000 0.000 0.269 177 T C 1.883 176.720 174.700 0.228 0.000 1.054 177 T CA 1.350 63.608 62.100 0.263 0.000 1.135 177 T CB -0.091 68.918 68.868 0.234 0.000 0.869 177 T HN 0.388 nan 8.240 nan 0.000 0.466 178 A N 1.294 124.206 122.820 0.154 0.000 1.854 178 A HA -0.060 4.260 4.320 0.000 0.000 0.214 178 A C 2.567 180.217 177.584 0.110 0.000 1.192 178 A CA 1.825 53.933 52.037 0.118 0.000 0.611 178 A CB -1.241 17.808 19.000 0.081 0.000 0.832 178 A HN 0.426 nan 8.150 nan 0.000 0.442 179 T N 0.493 115.126 114.554 0.132 0.000 2.665 179 T HA -0.189 4.161 4.350 0.000 0.000 0.268 179 T C 1.846 176.586 174.700 0.066 0.000 1.035 179 T CA 1.540 63.709 62.100 0.116 0.000 1.151 179 T CB -0.461 68.530 68.868 0.205 0.000 0.862 179 T HN 0.377 nan 8.240 nan 0.000 0.438 180 L N 0.286 121.584 121.223 0.126 0.000 1.994 180 L HA -0.045 4.295 4.340 0.000 0.000 0.208 180 L C 2.364 179.198 176.870 -0.060 0.000 1.071 180 L CA 1.601 56.426 54.840 -0.024 0.000 0.745 180 L CB -0.303 41.756 42.059 0.001 0.000 0.892 180 L HN 0.280 nan 8.230 nan 0.000 0.431 181 I N -0.306 120.280 120.570 0.027 0.000 2.454 181 I HA -0.282 3.888 4.170 0.000 0.000 0.254 181 I C 2.506 178.634 176.117 0.018 0.000 1.156 181 I CA 1.281 62.608 61.300 0.045 0.000 1.433 181 I CB -0.192 37.894 38.000 0.144 0.000 1.082 181 I HN 0.468 nan 8.210 nan 0.000 0.432 182 E N 0.814 121.021 120.200 0.013 0.000 2.042 182 E HA -0.194 4.156 4.350 0.000 0.000 0.189 182 E C 2.000 178.580 176.600 -0.034 0.000 0.974 182 E CA 0.874 57.272 56.400 -0.003 0.000 0.806 182 E CB 0.110 29.813 29.700 0.005 0.000 0.769 182 E HN 0.534 nan 8.360 nan 0.000 0.451 183 Q N -0.199 119.568 119.800 -0.055 0.000 2.339 183 Q HA 0.209 4.549 4.340 0.000 0.000 0.205 183 Q C 0.746 176.679 176.000 -0.110 0.000 0.925 183 Q CA 0.358 56.110 55.803 -0.085 0.000 0.898 183 Q CB 1.040 29.716 28.738 -0.104 0.000 1.013 183 Q HN 0.357 nan 8.270 nan 0.000 0.504 184 G N 0.692 109.419 108.800 -0.122 0.000 2.728 184 G HA2 -0.297 3.663 3.960 0.000 0.000 0.294 184 G HA3 -0.297 3.663 3.960 0.000 0.000 0.294 184 G C -1.529 173.290 174.900 -0.135 0.000 1.342 184 G CA -0.564 44.469 45.100 -0.113 0.000 0.866 184 G HN 0.194 nan 8.290 nan 0.000 0.534 185 Y N 1.144 121.326 120.300 -0.197 0.000 2.364 185 Y HA 0.608 5.158 4.550 -0.000 0.000 0.340 185 Y C -2.052 173.792 175.900 -0.093 0.000 0.975 185 Y CA -2.236 55.733 58.100 -0.220 0.000 1.089 185 Y CB 2.138 40.441 38.460 -0.261 0.000 1.192 185 Y HN 0.480 nan 8.280 nan 0.000 0.454 186 P HA 0.135 nan 4.420 nan 0.000 0.262 186 P C -1.227 176.260 177.300 0.311 0.000 1.182 186 P CA 0.569 63.718 63.100 0.081 0.000 0.761 186 P CB 0.551 32.219 31.700 -0.053 0.000 0.795 187 A N 3.698 126.686 122.820 0.279 0.000 2.386 187 A HA 0.835 5.155 4.320 0.000 0.000 0.308 187 A C -1.378 176.526 177.584 0.533 0.000 1.128 187 A CA -0.526 51.760 52.037 0.415 0.000 0.789 187 A CB 1.114 20.279 19.000 0.276 0.000 1.325 187 A HN 0.601 nan 8.150 nan 0.000 0.437 188 Y N -1.376 119.195 120.300 0.451 0.000 2.553 188 Y HA 0.792 5.342 4.550 0.000 0.000 0.347 188 Y C -0.407 175.577 175.900 0.141 0.000 1.019 188 Y CA -0.610 57.698 58.100 0.346 0.000 1.032 188 Y CB 1.472 40.134 38.460 0.337 0.000 1.284 188 Y HN 0.684 nan 8.280 nan 0.000 0.466 189 T N 0.851 115.358 114.554 -0.078 0.000 2.885 189 T HA 0.434 4.784 4.350 0.000 0.000 0.285 189 T C 0.023 174.604 174.700 -0.199 0.000 1.019 189 T CA -0.282 61.606 62.100 -0.353 0.000 1.010 189 T CB 1.524 69.869 68.868 -0.872 0.000 1.022 189 T HN 0.896 nan 8.240 nan 0.000 0.466 190 T N 2.302 116.668 114.554 -0.313 0.000 3.001 190 T HA 0.114 4.464 4.350 0.000 0.000 0.251 190 T C 2.090 176.326 174.700 -0.773 0.000 1.040 190 T CA 0.082 61.894 62.100 -0.480 0.000 0.985 190 T CB 0.082 68.613 68.868 -0.560 0.000 1.011 190 T HN 0.559 nan 8.240 nan 0.000 0.509 191 S N 2.596 118.020 115.700 -0.461 0.000 2.420 191 S HA -0.064 4.406 4.470 0.000 0.000 0.237 191 S C -0.806 173.707 174.600 -0.144 0.000 1.023 191 S CA 1.159 59.225 58.200 -0.224 0.000 0.991 191 S CB -0.857 62.395 63.200 0.086 0.000 0.792 191 S HN 0.464 nan 8.310 nan 0.000 0.488 192 P HA 0.121 nan 4.420 nan 0.000 0.231 192 P C 1.181 178.455 177.300 -0.044 0.000 1.168 192 P CA 0.681 63.770 63.100 -0.017 0.000 0.779 192 P CB -0.135 31.531 31.700 -0.058 0.000 0.844 193 G N -1.678 106.931 108.800 -0.318 0.000 3.189 193 G HA2 -0.002 3.958 3.960 0.000 0.000 0.225 193 G HA3 -0.002 3.958 3.960 0.000 0.000 0.225 193 G C -0.272 174.438 174.900 -0.316 0.000 1.159 193 G CA -0.422 44.500 45.100 -0.297 0.000 0.763 193 G HN 0.166 nan 8.290 nan 0.000 0.549 194 W N 0.677 121.784 121.300 -0.322 0.000 2.257 194 W HA 0.333 4.993 4.660 -0.000 0.000 0.337 194 W C 0.927 177.210 176.519 -0.393 0.000 1.321 194 W CA -1.045 56.021 57.345 -0.465 0.000 1.267 194 W CB 0.632 29.599 29.460 -0.822 0.000 1.187 194 W HN -0.128 nan 8.180 nan 0.000 0.565 195 L N 2.452 123.696 121.223 0.035 0.000 2.474 195 L HA 0.236 4.576 4.340 0.000 0.000 0.259 195 L C 1.618 178.488 176.870 0.000 0.000 1.232 195 L CA 1.209 56.063 54.840 0.023 0.000 0.821 195 L CB 0.157 42.239 42.059 0.038 0.000 1.108 195 L HN 0.928 nan 8.230 nan 0.000 0.495 196 G N -0.329 108.505 108.800 0.057 0.000 2.299 196 G HA2 -0.266 3.694 3.960 0.000 0.000 0.237 196 G HA3 -0.266 3.694 3.960 0.000 0.000 0.237 196 G C -0.028 175.006 174.900 0.222 0.000 1.027 196 G CA -0.384 44.770 45.100 0.090 0.000 0.619 196 G HN 0.373 nan 8.290 nan 0.000 0.513 197 Y N 2.617 122.969 120.300 0.088 0.000 2.309 197 Y HA 0.576 5.126 4.550 -0.000 0.000 0.327 197 Y C 1.407 177.336 175.900 0.048 0.000 1.172 197 Y CA -1.156 56.989 58.100 0.075 0.000 1.280 197 Y CB 1.110 39.627 38.460 0.095 0.000 1.234 197 Y HN 0.474 nan 8.280 nan 0.000 0.512 198 S N 0.907 116.712 115.700 0.174 0.000 2.608 198 S HA 0.067 4.537 4.470 0.000 0.000 0.261 198 S C 0.696 175.342 174.600 0.078 0.000 1.314 198 S CA -0.538 57.717 58.200 0.093 0.000 0.992 198 S CB 0.783 64.010 63.200 0.046 0.000 0.935 198 S HN 0.572 nan 8.310 nan 0.000 0.564 199 D N 0.983 121.411 120.400 0.047 0.000 2.144 199 D HA -0.057 4.583 4.640 0.000 0.000 0.199 199 D C 1.811 178.121 176.300 0.016 0.000 0.984 199 D CA 1.442 55.459 54.000 0.028 0.000 0.834 199 D CB -0.404 40.403 40.800 0.012 0.000 0.955 199 D HN 0.689 nan 8.370 nan 0.000 0.465 200 E N 0.657 120.862 120.200 0.009 0.000 2.077 200 E HA -0.134 4.216 4.350 0.000 0.000 0.193 200 E C 1.902 178.493 176.600 -0.015 0.000 0.989 200 E CA 0.839 57.237 56.400 -0.004 0.000 0.800 200 E CB -0.113 29.583 29.700 -0.008 0.000 0.746 200 E HN 0.234 nan 8.360 nan 0.000 0.452 201 K N 0.408 120.793 120.400 -0.024 0.000 2.057 201 K HA -0.053 4.267 4.320 0.000 0.000 0.206 201 K C 2.070 178.656 176.600 -0.024 0.000 1.050 201 K CA 0.679 56.923 56.287 -0.073 0.000 0.935 201 K CB -0.145 32.251 32.500 -0.174 0.000 0.715 201 K HN 0.130 nan 8.250 nan 0.000 0.439 202 L N 1.507 122.756 121.223 0.044 0.000 1.990 202 L HA -0.183 4.157 4.340 0.000 0.000 0.213 202 L C 2.346 179.228 176.870 0.020 0.000 1.072 202 L CA 2.242 57.124 54.840 0.069 0.000 0.755 202 L CB -0.615 41.481 42.059 0.062 0.000 0.889 202 L HN 0.266 nan 8.230 nan 0.000 0.432 203 V N -2.146 117.770 119.914 0.004 0.000 2.407 203 V HA -0.255 3.865 4.120 0.000 0.000 0.248 203 V C 2.685 178.776 176.094 -0.004 0.000 1.055 203 V CA 1.918 64.215 62.300 -0.005 0.000 1.049 203 V CB -0.999 30.820 31.823 -0.007 0.000 0.662 203 V HN 0.498 nan 8.190 nan 0.000 0.455 204 R N -0.315 120.179 120.500 -0.010 0.000 2.073 204 R HA -0.075 4.265 4.340 0.000 0.000 0.234 204 R C 2.227 178.523 176.300 -0.005 0.000 1.134 204 R CA 2.028 58.120 56.100 -0.012 0.000 0.952 204 R CB -0.336 29.948 30.300 -0.026 0.000 0.850 204 R HN 0.502 nan 8.270 nan 0.000 0.433 205 L N 0.599 121.818 121.223 -0.006 0.000 2.056 205 L HA -0.050 4.290 4.340 0.000 0.000 0.207 205 L C 2.552 179.426 176.870 0.006 0.000 1.078 205 L CA 1.941 56.784 54.840 0.006 0.000 0.749 205 L CB -0.855 41.220 42.059 0.026 0.000 0.901 205 L HN 0.262 nan 8.230 nan 0.000 0.433 206 A N -0.544 122.276 122.820 0.000 0.000 1.908 206 A HA -0.253 4.067 4.320 0.000 0.000 0.218 206 A C 2.390 179.981 177.584 0.011 0.000 1.181 206 A CA 1.926 53.959 52.037 -0.006 0.000 0.627 206 A CB -0.442 18.550 19.000 -0.013 0.000 0.818 206 A HN 0.370 nan 8.150 nan 0.000 0.445 207 K N -0.344 120.064 120.400 0.013 0.000 2.057 207 K HA -0.120 4.200 4.320 0.000 0.000 0.206 207 K C 2.012 178.632 176.600 0.033 0.000 1.050 207 K CA 1.534 57.834 56.287 0.021 0.000 0.935 207 K CB -0.171 32.338 32.500 0.014 0.000 0.715 207 K HN 0.620 nan 8.250 nan 0.000 0.439 208 E N 0.464 120.684 120.200 0.032 0.000 2.085 208 E HA -0.216 4.134 4.350 0.000 0.000 0.194 208 E C 2.084 178.734 176.600 0.082 0.000 0.994 208 E CA 1.122 57.550 56.400 0.047 0.000 0.801 208 E CB -0.149 29.575 29.700 0.041 0.000 0.743 208 E HN 0.344 nan 8.360 nan 0.000 0.453 209 A N 1.011 123.884 122.820 0.088 0.000 1.883 209 A HA -0.163 4.157 4.320 0.000 0.000 0.217 209 A C 2.525 180.239 177.584 0.217 0.000 1.186 209 A CA 1.337 53.481 52.037 0.178 0.000 0.624 209 A CB -0.717 18.300 19.000 0.029 0.000 0.822 209 A HN 0.125 nan 8.150 nan 0.000 0.444 210 V N -0.180 119.801 119.914 0.111 0.000 2.407 210 V HA -0.237 3.883 4.120 0.000 0.000 0.248 210 V C 3.027 179.143 176.094 0.037 0.000 1.055 210 V CA 1.870 64.216 62.300 0.076 0.000 1.049 210 V CB -1.207 30.647 31.823 0.052 0.000 0.662 210 V HN 0.621 nan 8.190 nan 0.000 0.455 211 A N -0.316 122.531 122.820 0.046 0.000 1.933 211 A HA -0.230 4.090 4.320 0.000 0.000 0.218 211 A C 1.900 179.494 177.584 0.017 0.000 1.175 211 A CA 1.868 53.931 52.037 0.042 0.000 0.628 211 A CB -0.509 18.517 19.000 0.044 0.000 0.814 211 A HN 0.525 nan 8.150 nan 0.000 0.444 212 D N -1.410 118.989 120.400 -0.001 0.000 2.371 212 D HA 0.199 4.839 4.640 0.000 0.000 0.221 212 D C 1.406 177.380 176.300 -0.544 0.000 0.986 212 D CA 1.239 55.178 54.000 -0.102 0.000 0.899 212 D CB 0.122 40.957 40.800 0.058 0.000 0.902 212 D HN 0.634 nan 8.370 nan 0.000 0.530 213 G N 0.034 108.474 108.800 -0.600 0.000 2.179 213 G HA2 -0.243 3.717 3.960 0.000 0.000 0.220 213 G HA3 -0.243 3.717 3.960 0.000 0.000 0.220 213 G C 0.161 174.702 174.900 -0.598 0.000 0.990 213 G CA -0.568 43.878 45.100 -1.089 0.000 0.646 213 G HN 0.229 nan 8.290 nan 0.000 0.517 214 F N 1.230 121.043 119.950 -0.228 0.000 2.495 214 F HA 0.485 5.012 4.527 -0.000 0.000 0.365 214 F C 1.777 177.556 175.800 -0.035 0.000 1.090 214 F CA -0.295 57.648 58.000 -0.095 0.000 1.235 214 F CB 0.782 39.763 39.000 -0.031 0.000 1.119 214 F HN -0.137 nan 8.300 nan 0.000 0.562 215 R N 0.983 121.589 120.500 0.177 0.000 2.362 215 R HA 0.208 4.548 4.340 0.000 0.000 0.227 215 R C -0.358 176.041 176.300 0.166 0.000 0.905 215 R CA 0.207 56.386 56.100 0.132 0.000 1.067 215 R CB 0.069 30.425 30.300 0.094 0.000 1.078 215 R HN 0.537 nan 8.270 nan 0.000 0.516 216 T N 0.608 115.306 114.554 0.240 0.000 2.956 216 T HA 0.501 4.851 4.350 0.000 0.000 0.312 216 T C -0.840 173.974 174.700 0.190 0.000 1.151 216 T CA -0.435 61.780 62.100 0.192 0.000 1.024 216 T CB 2.381 71.403 68.868 0.257 0.000 1.140 216 T HN -0.006 nan 8.240 nan 0.000 0.473 217 I N 1.655 122.251 120.570 0.042 0.000 2.934 217 I HA 0.758 4.928 4.170 0.000 0.000 0.306 217 I C -1.465 174.582 176.117 -0.117 0.000 1.110 217 I CA -1.078 60.219 61.300 -0.006 0.000 1.019 217 I CB 2.229 40.197 38.000 -0.053 0.000 1.227 217 I HN 0.527 nan 8.210 nan 0.000 0.434 218 K N 6.361 126.691 120.400 -0.116 0.000 2.443 218 K HA 0.597 4.917 4.320 0.000 0.000 0.252 218 K C -2.067 174.389 176.600 -0.240 0.000 0.933 218 K CA -0.625 55.528 56.287 -0.225 0.000 0.792 218 K CB 1.728 34.147 32.500 -0.135 0.000 1.185 218 K HN 0.566 nan 8.250 nan 0.000 0.425 219 L N 3.749 124.834 121.223 -0.229 0.000 2.334 219 L HA 0.498 4.838 4.340 0.000 0.000 0.276 219 L C -0.159 176.618 176.870 -0.155 0.000 1.014 219 L CA -1.310 53.418 54.840 -0.187 0.000 0.815 219 L CB 1.665 43.647 42.059 -0.129 0.000 1.268 219 L HN 0.520 nan 8.230 nan 0.000 0.428 220 K N 2.668 122.992 120.400 -0.128 0.000 2.249 220 K HA 0.531 4.851 4.320 0.000 0.000 0.280 220 K C -0.247 176.333 176.600 -0.033 0.000 1.033 220 K CA -0.178 56.065 56.287 -0.074 0.000 0.946 220 K CB 1.950 34.443 32.500 -0.011 0.000 1.005 220 K HN 0.502 nan 8.250 nan 0.000 0.469 221 V N -2.679 117.209 119.914 -0.044 0.000 3.103 221 V HA 0.868 4.988 4.120 0.000 0.000 0.311 221 V C 0.602 176.657 176.094 -0.066 0.000 1.322 221 V CA -0.053 62.278 62.300 0.051 0.000 1.063 221 V CB 1.443 33.365 31.823 0.166 0.000 1.090 221 V HN 0.807 nan 8.190 nan 0.000 0.462 222 G N -1.050 107.793 108.800 0.072 0.000 2.211 222 G HA2 0.020 3.980 3.960 0.000 0.000 0.201 222 G HA3 0.020 3.980 3.960 0.000 0.000 0.201 222 G C 0.737 175.650 174.900 0.021 0.000 0.997 222 G CA 0.922 45.867 45.100 -0.259 0.000 0.652 222 G HN 1.926 nan 8.290 nan 0.000 0.500 223 A N -0.470 122.510 122.820 0.267 0.000 1.973 223 A HA 0.532 4.852 4.320 0.000 0.000 0.210 223 A C 0.898 178.771 177.584 0.481 0.000 1.200 223 A CA 1.549 53.763 52.037 0.294 0.000 0.707 223 A CB 0.168 19.265 19.000 0.163 0.000 0.862 223 A HN 0.736 nan 8.150 nan 0.000 0.461 224 N N -0.198 118.817 118.700 0.525 0.000 2.478 224 N HA 0.240 4.980 4.740 0.000 0.000 0.291 224 N C 0.434 176.048 175.510 0.174 0.000 1.090 224 N CA -0.066 53.165 53.050 0.302 0.000 0.911 224 N CB 2.127 40.706 38.487 0.154 0.000 1.546 224 N HN -0.119 nan 8.380 nan 0.000 0.500 225 V N 2.776 122.472 119.914 -0.363 0.000 2.407 225 V HA -0.225 3.895 4.120 0.000 0.000 0.248 225 V C 2.250 178.209 176.094 -0.224 0.000 1.055 225 V CA 1.437 63.357 62.300 -0.634 0.000 1.049 225 V CB -0.384 30.761 31.823 -1.130 0.000 0.662 225 V HN 0.641 nan 8.190 nan 0.000 0.455 226 Q N 0.146 119.857 119.800 -0.148 0.000 2.084 226 Q HA -0.200 4.140 4.340 0.000 0.000 0.202 226 Q C 2.015 178.006 176.000 -0.015 0.000 0.978 226 Q CA 1.726 57.487 55.803 -0.069 0.000 0.844 226 Q CB -0.758 27.950 28.738 -0.051 0.000 0.898 226 Q HN 0.602 nan 8.270 nan 0.000 0.426 227 D N 1.194 121.607 120.400 0.021 0.000 2.104 227 D HA -0.135 4.505 4.640 0.000 0.000 0.194 227 D C 1.477 177.810 176.300 0.056 0.000 0.994 227 D CA 1.166 55.194 54.000 0.048 0.000 0.830 227 D CB -0.200 40.652 40.800 0.086 0.000 0.959 227 D HN 0.208 nan 8.370 nan 0.000 0.452 228 D N 0.196 120.669 120.400 0.122 0.000 2.117 228 D HA -0.096 4.544 4.640 0.000 0.000 0.197 228 D C 2.319 178.648 176.300 0.049 0.000 0.987 228 D CA 0.425 54.520 54.000 0.158 0.000 0.829 228 D CB -0.284 40.755 40.800 0.399 0.000 0.961 228 D HN 0.276 nan 8.370 nan 0.000 0.460 229 I N 0.497 121.090 120.570 0.038 0.000 2.179 229 I HA -0.223 3.947 4.170 0.000 0.000 0.242 229 I C 2.672 178.690 176.117 -0.165 0.000 1.088 229 I CA 0.830 62.144 61.300 0.023 0.000 1.357 229 I CB -0.148 37.910 38.000 0.098 0.000 1.051 229 I HN -0.062 nan 8.210 nan 0.000 0.409 230 R N 1.171 121.618 120.500 -0.088 0.000 2.073 230 R HA -0.168 4.172 4.340 0.000 0.000 0.234 230 R C 2.455 178.664 176.300 -0.152 0.000 1.134 230 R CA 1.635 57.674 56.100 -0.101 0.000 0.952 230 R CB -0.131 30.144 30.300 -0.041 0.000 0.850 230 R HN 0.280 nan 8.270 nan 0.000 0.433 231 R N -0.601 119.829 120.500 -0.117 0.000 2.075 231 R HA -0.085 4.255 4.340 0.000 0.000 0.232 231 R C 2.552 178.730 176.300 -0.203 0.000 1.126 231 R CA 1.636 57.670 56.100 -0.110 0.000 0.963 231 R CB -0.381 29.895 30.300 -0.041 0.000 0.858 231 R HN 0.289 nan 8.270 nan 0.000 0.435 232 C N -0.055 119.059 119.300 -0.310 0.000 2.429 232 C HA -0.062 4.398 4.460 0.000 0.000 0.277 232 C C 2.674 177.234 174.990 -0.716 0.000 1.262 232 C CA 0.514 59.258 59.018 -0.457 0.000 1.733 232 C CB -0.806 26.642 27.740 -0.487 0.000 2.010 232 C HN 0.477 nan 8.230 nan 0.000 0.483 233 R N 0.442 120.326 120.500 -1.028 0.000 2.073 233 R HA -0.116 4.224 4.340 0.000 0.000 0.234 233 R C 2.108 178.254 176.300 -0.257 0.000 1.134 233 R CA 1.508 57.183 56.100 -0.708 0.000 0.952 233 R CB -0.375 29.678 30.300 -0.411 0.000 0.850 233 R HN 0.495 nan 8.270 nan 0.000 0.433 234 L N 0.100 121.202 121.223 -0.202 0.000 2.017 234 L HA -0.135 4.205 4.340 0.000 0.000 0.208 234 L C 2.743 179.563 176.870 -0.083 0.000 1.073 234 L CA 1.371 56.150 54.840 -0.102 0.000 0.745 234 L CB -0.540 41.473 42.059 -0.076 0.000 0.894 234 L HN 0.306 nan 8.230 nan 0.000 0.432 235 A N 0.119 122.877 122.820 -0.105 0.000 1.908 235 A HA -0.278 4.042 4.320 0.000 0.000 0.218 235 A C 2.314 179.865 177.584 -0.055 0.000 1.181 235 A CA 2.015 54.008 52.037 -0.074 0.000 0.627 235 A CB -0.525 18.421 19.000 -0.089 0.000 0.818 235 A HN 0.322 nan 8.150 nan 0.000 0.445 236 R N 0.367 120.828 120.500 -0.065 0.000 2.081 236 R HA -0.022 4.318 4.340 0.000 0.000 0.235 236 R C 2.040 178.344 176.300 0.008 0.000 1.131 236 R CA 2.063 58.158 56.100 -0.007 0.000 0.960 236 R CB -0.985 29.345 30.300 0.050 0.000 0.856 236 R HN 0.379 nan 8.270 nan 0.000 0.436 237 A N 0.033 122.851 122.820 -0.003 0.000 1.969 237 A HA 0.102 4.422 4.320 0.000 0.000 0.218 237 A C 2.313 179.899 177.584 0.003 0.000 1.169 237 A CA 1.448 53.489 52.037 0.008 0.000 0.635 237 A CB -0.818 18.184 19.000 0.004 0.000 0.810 237 A HN 0.474 nan 8.150 nan 0.000 0.445 238 A N -0.827 121.989 122.820 -0.006 0.000 2.014 238 A HA 0.076 4.396 4.320 0.000 0.000 0.218 238 A C 1.891 179.479 177.584 0.006 0.000 1.163 238 A CA 1.478 53.514 52.037 -0.002 0.000 0.652 238 A CB -0.359 18.636 19.000 -0.009 0.000 0.808 238 A HN 0.394 nan 8.150 nan 0.000 0.449 239 I N -1.624 118.949 120.570 0.005 0.000 2.852 239 I HA 0.268 4.438 4.170 0.000 0.000 0.264 239 I C 1.263 177.392 176.117 0.021 0.000 1.179 239 I CA 1.264 62.572 61.300 0.014 0.000 1.480 239 I CB -0.084 37.920 38.000 0.008 0.000 1.111 239 I HN 0.506 nan 8.210 nan 0.000 0.441 240 G N 0.808 109.621 108.800 0.021 0.000 2.707 240 G HA2 -0.132 3.828 3.960 0.000 0.000 0.686 240 G HA3 -0.132 3.828 3.960 0.000 0.000 0.686 240 G C -2.108 172.810 174.900 0.029 0.000 1.315 240 G CA -0.238 44.877 45.100 0.025 0.000 0.832 240 G HN 0.036 nan 8.290 nan 0.000 0.573 241 P HA 0.090 nan 4.420 nan 0.000 0.229 241 P C 0.456 177.776 177.300 0.033 0.000 1.160 241 P CA 1.322 64.442 63.100 0.033 0.000 0.777 241 P CB 0.221 31.939 31.700 0.031 0.000 0.814 242 D N -0.607 119.813 120.400 0.032 0.000 2.339 242 D HA 0.109 4.749 4.640 0.000 0.000 0.217 242 D C 0.690 177.014 176.300 0.041 0.000 1.050 242 D CA 0.241 54.262 54.000 0.035 0.000 0.856 242 D CB 0.331 41.150 40.800 0.033 0.000 0.922 242 D HN 0.175 nan 8.370 nan 0.000 0.518 243 I N 1.261 121.855 120.570 0.040 0.000 2.392 243 I HA 0.380 4.550 4.170 0.000 0.000 0.295 243 I C 0.604 176.743 176.117 0.037 0.000 0.985 243 I CA -1.379 59.949 61.300 0.046 0.000 1.221 243 I CB 1.115 39.141 38.000 0.044 0.000 1.366 243 I HN -0.205 nan 8.210 nan 0.000 0.467 244 A N 7.434 130.282 122.820 0.046 0.000 2.388 244 A HA 0.592 4.912 4.320 0.000 0.000 0.257 244 A C -0.167 177.386 177.584 -0.053 0.000 1.095 244 A CA -0.353 51.693 52.037 0.016 0.000 0.791 244 A CB 0.611 19.647 19.000 0.060 0.000 1.029 244 A HN 0.813 nan 8.150 nan 0.000 0.489 245 M N 2.840 122.372 119.600 -0.114 0.000 2.151 245 M HA 0.598 5.078 4.480 0.000 0.000 0.290 245 M C -0.514 175.579 176.300 -0.344 0.000 0.965 245 M CA -0.260 54.926 55.300 -0.189 0.000 0.930 245 M CB 1.429 33.967 32.600 -0.104 0.000 1.560 245 M HN 0.849 nan 8.290 nan 0.000 0.438 246 A N 4.016 126.474 122.820 -0.603 0.000 2.269 246 A HA 0.914 5.234 4.320 0.000 0.000 0.327 246 A C -1.251 175.975 177.584 -0.598 0.000 1.112 246 A CA -0.650 50.818 52.037 -0.948 0.000 0.865 246 A CB 1.630 19.293 19.000 -2.228 0.000 1.227 246 A HN 0.641 nan 8.150 nan 0.000 0.498 247 V N 0.807 120.407 119.914 -0.524 0.000 2.876 247 V HA 0.491 4.611 4.120 0.000 0.000 0.312 247 V C -1.376 174.588 176.094 -0.216 0.000 1.085 247 V CA -0.504 61.639 62.300 -0.262 0.000 0.945 247 V CB 2.140 33.907 31.823 -0.092 0.000 1.017 247 V HN 0.954 nan 8.190 nan 0.000 0.428 248 D N 2.586 122.892 120.400 -0.158 0.000 2.542 248 D HA 0.578 5.218 4.640 0.000 0.000 0.252 248 D C 0.307 176.471 176.300 -0.227 0.000 1.222 248 D CA -0.169 53.752 54.000 -0.132 0.000 0.895 248 D CB 2.238 42.998 40.800 -0.068 0.000 1.207 248 D HN 0.575 nan 8.370 nan 0.000 0.558 249 A N 3.664 126.247 122.820 -0.396 0.000 2.275 249 A HA 0.085 4.405 4.320 0.000 0.000 0.212 249 A C 0.877 178.110 177.584 -0.586 0.000 1.201 249 A CA -0.096 51.488 52.037 -0.756 0.000 0.843 249 A CB -0.268 17.712 19.000 -1.701 0.000 0.873 249 A HN 0.738 nan 8.150 nan 0.000 0.492 250 N N 0.165 118.660 118.700 -0.342 0.000 2.714 250 N HA -0.260 4.480 4.740 0.000 0.000 0.252 250 N C -0.146 175.204 175.510 -0.265 0.000 1.014 250 N CA 1.270 54.170 53.050 -0.249 0.000 0.735 250 N CB -1.238 37.145 38.487 -0.173 0.000 0.924 250 N HN 0.785 nan 8.380 nan 0.000 0.540 251 Q N -3.270 116.358 119.800 -0.286 0.000 2.305 251 Q HA -0.292 4.048 4.340 0.000 0.000 0.203 251 Q C 1.030 176.870 176.000 -0.266 0.000 0.663 251 Q CA 1.392 57.066 55.803 -0.214 0.000 1.389 251 Q CB -0.652 28.025 28.738 -0.101 0.000 1.566 251 Q HN 0.394 nan 8.270 nan 0.000 0.755 252 R N -0.017 120.208 120.500 -0.459 0.000 2.105 252 R HA -0.090 4.250 4.340 0.000 0.000 0.239 252 R C 0.727 176.902 176.300 -0.209 0.000 1.135 252 R CA 1.226 57.081 56.100 -0.408 0.000 0.967 252 R CB -0.146 29.793 30.300 -0.602 0.000 0.861 252 R HN 0.326 nan 8.270 nan 0.000 0.442 253 W N 1.324 122.513 121.300 -0.185 0.000 2.359 253 W HA 0.275 4.935 4.660 0.000 0.000 0.344 253 W C 0.143 176.599 176.519 -0.105 0.000 1.170 253 W CA -1.354 55.898 57.345 -0.154 0.000 1.296 253 W CB -0.022 29.312 29.460 -0.211 0.000 1.197 253 W HN -0.130 nan 8.180 nan 0.000 0.618 254 D N -0.586 119.924 120.400 0.183 0.000 2.388 254 D HA 0.214 4.854 4.640 0.000 0.000 0.254 254 D C 1.308 177.646 176.300 0.064 0.000 1.111 254 D CA -0.530 53.518 54.000 0.080 0.000 0.993 254 D CB 1.608 42.443 40.800 0.059 0.000 1.118 254 D HN -0.086 nan 8.370 nan 0.000 0.502 255 V N 0.946 120.869 119.914 0.016 0.000 2.255 255 V HA -0.178 3.942 4.120 0.000 0.000 0.247 255 V C 2.272 178.364 176.094 -0.003 0.000 1.051 255 V CA 2.481 64.779 62.300 -0.003 0.000 1.018 255 V CB -0.945 30.869 31.823 -0.016 0.000 0.641 255 V HN 0.755 nan 8.190 nan 0.000 0.445 256 G N 0.477 109.277 108.800 -0.001 0.000 2.480 256 G HA2 -0.213 3.747 3.960 0.000 0.000 0.216 256 G HA3 -0.213 3.747 3.960 0.000 0.000 0.216 256 G C -0.168 174.717 174.900 -0.025 0.000 1.200 256 G CA 1.292 46.386 45.100 -0.009 0.000 0.782 256 G HN 0.516 nan 8.290 nan 0.000 0.554 257 P HA -0.032 nan 4.420 nan 0.000 0.216 257 P C 2.200 179.383 177.300 -0.195 0.000 1.150 257 P CA 1.924 64.996 63.100 -0.047 0.000 0.837 257 P CB -0.158 31.557 31.700 0.024 0.000 0.786 258 A N -0.734 121.969 122.820 -0.196 0.000 1.908 258 A HA -0.197 4.123 4.320 0.000 0.000 0.218 258 A C 2.190 179.633 177.584 -0.235 0.000 1.181 258 A CA 1.524 53.361 52.037 -0.333 0.000 0.627 258 A CB -1.625 17.444 19.000 0.115 0.000 0.818 258 A HN 0.126 nan 8.150 nan 0.000 0.445 259 I N -0.273 120.237 120.570 -0.100 0.000 2.252 259 I HA -0.217 3.953 4.170 0.000 0.000 0.245 259 I C 1.867 177.944 176.117 -0.067 0.000 1.102 259 I CA 1.437 62.703 61.300 -0.058 0.000 1.385 259 I CB -0.413 37.569 38.000 -0.030 0.000 1.064 259 I HN 0.237 nan 8.210 nan 0.000 0.414 260 D N 0.041 120.395 120.400 -0.077 0.000 2.117 260 D HA -0.215 4.425 4.640 0.000 0.000 0.198 260 D C 1.778 178.033 176.300 -0.075 0.000 0.982 260 D CA 0.970 54.926 54.000 -0.072 0.000 0.828 260 D CB -0.317 40.439 40.800 -0.072 0.000 0.967 260 D HN 0.416 nan 8.370 nan 0.000 0.464 261 W N 0.997 122.069 121.300 -0.379 0.000 2.354 261 W HA -0.120 4.540 4.660 0.000 0.000 0.315 261 W C 1.878 178.208 176.519 -0.314 0.000 1.206 261 W CA 0.812 57.886 57.345 -0.453 0.000 1.290 261 W CB -0.341 28.533 29.460 -0.977 0.000 1.152 261 W HN -0.048 nan 8.180 nan 0.000 0.489 262 M N 0.559 120.157 119.600 -0.004 0.000 2.213 262 M HA -0.158 4.322 4.480 0.000 0.000 0.263 262 M C 1.901 178.232 176.300 0.052 0.000 1.062 262 M CA 1.436 56.777 55.300 0.068 0.000 1.105 262 M CB -1.368 31.266 32.600 0.056 0.000 1.385 262 M HN 0.029 nan 8.290 nan 0.000 0.417 263 R N -0.175 120.328 120.500 0.004 0.000 2.237 263 R HA -0.122 4.218 4.340 0.000 0.000 0.219 263 R C 1.912 178.191 176.300 -0.034 0.000 1.080 263 R CA 0.855 56.945 56.100 -0.017 0.000 0.995 263 R CB -0.228 30.053 30.300 -0.031 0.000 0.875 263 R HN 0.603 nan 8.270 nan 0.000 0.462 264 Q N 0.072 119.857 119.800 -0.024 0.000 2.331 264 Q HA 0.062 4.402 4.340 0.000 0.000 0.203 264 Q C 1.760 177.769 176.000 0.016 0.000 0.944 264 Q CA 0.626 56.406 55.803 -0.038 0.000 0.892 264 Q CB 0.330 29.025 28.738 -0.071 0.000 0.983 264 Q HN 0.329 nan 8.270 nan 0.000 0.482 265 L N -0.376 120.911 121.223 0.107 0.000 2.529 265 L HA 0.171 4.511 4.340 0.000 0.000 0.223 265 L C 2.242 179.166 176.870 0.091 0.000 1.113 265 L CA 0.108 55.095 54.840 0.246 0.000 0.861 265 L CB -0.279 41.979 42.059 0.332 0.000 1.012 265 L HN 0.127 nan 8.230 nan 0.000 0.461 266 A N 1.623 124.436 122.820 -0.013 0.000 1.948 266 A HA -0.262 4.058 4.320 0.000 0.000 0.220 266 A C 2.170 179.662 177.584 -0.152 0.000 1.177 266 A CA 2.065 54.074 52.037 -0.048 0.000 0.636 266 A CB -0.490 18.484 19.000 -0.044 0.000 0.815 266 A HN 0.666 nan 8.150 nan 0.000 0.449 267 E N -1.008 118.977 120.200 -0.358 0.000 2.267 267 E HA -0.174 4.176 4.350 0.000 0.000 0.197 267 E C 1.039 177.353 176.600 -0.477 0.000 0.998 267 E CA 1.178 57.294 56.400 -0.474 0.000 0.830 267 E CB -0.565 28.753 29.700 -0.637 0.000 0.751 267 E HN 0.713 nan 8.360 nan 0.000 0.491 268 F N 1.353 121.303 119.950 0.000 0.000 2.731 268 F HA 0.139 4.666 4.527 0.000 0.000 0.304 268 F C 0.014 175.807 175.800 -0.010 0.000 1.133 268 F CA -0.024 57.974 58.000 -0.004 0.000 1.380 268 F CB 0.044 39.042 39.000 -0.004 0.000 1.079 268 F HN -0.137 nan 8.300 nan 0.000 0.550 269 D N 1.930 122.373 120.400 0.071 0.000 3.729 269 D HA -0.175 4.465 4.640 0.000 0.000 0.242 269 D C -0.670 175.658 176.300 0.046 0.000 1.091 269 D CA 0.160 54.188 54.000 0.047 0.000 1.096 269 D CB -0.673 40.154 40.800 0.046 0.000 0.901 269 D HN -0.012 nan 8.370 nan 0.000 0.416 270 I N 1.983 122.574 120.570 0.036 0.000 2.371 270 I HA 0.332 4.502 4.170 0.000 0.000 0.290 270 I C 1.995 178.103 176.117 -0.015 0.000 1.028 270 I CA -0.024 61.275 61.300 -0.001 0.000 1.345 270 I CB 0.526 38.541 38.000 0.026 0.000 1.407 270 I HN 0.391 nan 8.210 nan 0.000 0.501 271 A N 7.265 130.030 122.820 -0.092 0.000 1.898 271 A HA -0.022 4.298 4.320 0.000 0.000 0.216 271 A C 0.402 178.079 177.584 0.155 0.000 1.181 271 A CA 1.195 53.225 52.037 -0.013 0.000 0.620 271 A CB -0.094 18.823 19.000 -0.138 0.000 0.819 271 A HN 0.870 nan 8.150 nan 0.000 0.442 272 W N -3.806 117.424 121.300 -0.117 0.000 3.189 272 W HA 0.527 5.187 4.660 -0.000 0.000 0.314 272 W C -1.884 174.594 176.519 -0.068 0.000 1.204 272 W CA -1.561 55.717 57.345 -0.111 0.000 1.171 272 W CB -0.072 29.261 29.460 -0.212 0.000 1.394 272 W HN 0.173 nan 8.180 nan 0.000 0.568 273 I N 2.582 123.280 120.570 0.213 0.000 2.339 273 I HA 0.474 4.644 4.170 0.000 0.000 0.290 273 I C -0.446 175.840 176.117 0.282 0.000 0.994 273 I CA -0.821 60.563 61.300 0.140 0.000 1.191 273 I CB 1.363 39.471 38.000 0.180 0.000 1.343 273 I HN 0.581 nan 8.210 nan 0.000 0.458 274 E N 6.342 126.674 120.200 0.220 0.000 2.197 274 E HA 0.257 4.607 4.350 0.000 0.000 0.281 274 E C -0.584 176.056 176.600 0.067 0.000 0.995 274 E CA -0.283 56.259 56.400 0.237 0.000 0.808 274 E CB 0.596 30.484 29.700 0.313 0.000 1.093 274 E HN 0.651 nan 8.360 nan 0.000 0.394 275 E N 3.110 123.366 120.200 0.093 0.000 2.210 275 E HA -0.173 4.177 4.350 0.000 0.000 0.201 275 E C -1.867 174.708 176.600 -0.042 0.000 1.339 275 E CA 0.153 56.599 56.400 0.076 0.000 0.699 275 E CB -0.512 29.158 29.700 -0.049 0.000 1.126 275 E HN 0.569 nan 8.360 nan 0.000 0.355 276 P HA -0.140 nan 4.420 nan 0.000 0.220 276 P C 0.775 178.001 177.300 -0.122 0.000 1.148 276 P CA 1.269 64.333 63.100 -0.059 0.000 0.803 276 P CB 0.480 32.294 31.700 0.190 0.000 0.782 277 T N -1.963 112.484 114.554 -0.178 0.000 2.618 277 T HA 0.325 4.675 4.350 0.000 0.000 0.286 277 T C -0.888 173.788 174.700 -0.040 0.000 1.027 277 T CA -0.491 61.514 62.100 -0.157 0.000 1.063 277 T CB 1.001 69.737 68.868 -0.219 0.000 1.440 277 T HN -0.161 nan 8.240 nan 0.000 0.505 278 S N 2.041 117.728 115.700 -0.020 0.000 2.573 278 S HA 0.109 4.579 4.470 0.000 0.000 0.297 278 S C -1.341 173.335 174.600 0.127 0.000 1.280 278 S CA -0.605 57.613 58.200 0.031 0.000 1.061 278 S CB 0.549 63.753 63.200 0.006 0.000 0.812 278 S HN 0.530 nan 8.310 nan 0.000 0.500 279 P HA 0.020 nan 4.420 nan 0.000 0.239 279 P C 0.018 177.295 177.300 -0.038 0.000 1.184 279 P CA 0.656 63.770 63.100 0.023 0.000 0.760 279 P CB 0.115 31.828 31.700 0.022 0.000 0.884 280 D N -0.956 119.438 120.400 -0.010 0.000 2.389 280 D HA 0.004 4.644 4.640 0.000 0.000 0.206 280 D C 0.285 176.580 176.300 -0.009 0.000 1.055 280 D CA 0.409 54.383 54.000 -0.042 0.000 0.856 280 D CB -0.101 40.670 40.800 -0.048 0.000 0.957 280 D HN 0.072 nan 8.370 nan 0.000 0.509 281 D N 1.307 121.741 120.400 0.057 0.000 2.517 281 D HA 0.050 4.690 4.640 0.000 0.000 0.220 281 D C 1.455 177.851 176.300 0.159 0.000 1.158 281 D CA -0.160 53.885 54.000 0.075 0.000 0.992 281 D CB 0.794 41.616 40.800 0.037 0.000 1.058 281 D HN -0.213 nan 8.370 nan 0.000 0.516 282 V N 3.419 123.369 119.914 0.060 0.000 2.295 282 V HA -0.247 3.873 4.120 0.000 0.000 0.246 282 V C 2.550 178.683 176.094 0.065 0.000 1.049 282 V CA 1.297 63.620 62.300 0.038 0.000 1.024 282 V CB -0.384 31.422 31.823 -0.028 0.000 0.648 282 V HN 0.558 nan 8.190 nan 0.000 0.447 283 L N 0.365 121.610 121.223 0.036 0.000 2.046 283 L HA -0.079 4.261 4.340 0.000 0.000 0.208 283 L C 2.686 179.574 176.870 0.031 0.000 1.077 283 L CA 1.709 56.566 54.840 0.028 0.000 0.747 283 L CB -1.292 40.774 42.059 0.012 0.000 0.896 283 L HN 0.482 nan 8.230 nan 0.000 0.432 284 G N -1.084 107.728 108.800 0.021 0.000 2.440 284 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 284 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 284 G C 1.406 176.271 174.900 -0.058 0.000 1.154 284 G CA 0.550 45.632 45.100 -0.031 0.000 0.767 284 G HN 0.388 nan 8.290 nan 0.000 0.552 285 H N 0.653 119.724 119.070 0.002 0.000 2.353 285 H HA -0.019 4.537 4.556 0.000 0.000 0.300 285 H C 2.972 178.309 175.328 0.014 0.000 1.090 285 H CA 1.260 57.313 56.048 0.009 0.000 1.327 285 H CB -0.186 29.570 29.762 -0.011 0.000 1.383 285 H HN 0.407 nan 8.280 nan 0.000 0.508 286 A N 1.171 124.063 122.820 0.120 0.000 1.933 286 A HA -0.073 4.247 4.320 0.000 0.000 0.218 286 A C 2.695 180.308 177.584 0.049 0.000 1.175 286 A CA 1.464 53.545 52.037 0.074 0.000 0.628 286 A CB -0.675 18.357 19.000 0.053 0.000 0.814 286 A HN 0.434 nan 8.150 nan 0.000 0.444 287 A N 0.126 122.966 122.820 0.033 0.000 1.877 287 A HA -0.092 4.228 4.320 0.000 0.000 0.216 287 A C 2.117 179.711 177.584 0.017 0.000 1.186 287 A CA 1.537 53.584 52.037 0.018 0.000 0.620 287 A CB -0.620 18.383 19.000 0.005 0.000 0.822 287 A HN 0.494 nan 8.150 nan 0.000 0.443 288 I N -1.040 119.537 120.570 0.011 0.000 2.179 288 I HA -0.272 3.898 4.170 0.000 0.000 0.242 288 I C 2.728 178.870 176.117 0.041 0.000 1.088 288 I CA 1.762 63.073 61.300 0.018 0.000 1.357 288 I CB -0.363 37.642 38.000 0.008 0.000 1.051 288 I HN 0.377 nan 8.210 nan 0.000 0.409 289 R N 0.962 121.497 120.500 0.058 0.000 2.091 289 R HA -0.245 4.095 4.340 0.000 0.000 0.238 289 R C 2.285 178.613 176.300 0.046 0.000 1.136 289 R CA 1.870 58.009 56.100 0.064 0.000 0.959 289 R CB -0.138 30.205 30.300 0.072 0.000 0.856 289 R HN 0.431 nan 8.270 nan 0.000 0.437 290 Q N -1.287 118.536 119.800 0.038 0.000 2.167 290 Q HA -0.037 4.303 4.340 0.000 0.000 0.202 290 Q C 1.959 177.973 176.000 0.022 0.000 0.970 290 Q CA 1.342 57.163 55.803 0.029 0.000 0.855 290 Q CB 0.031 28.785 28.738 0.026 0.000 0.911 290 Q HN 0.532 nan 8.270 nan 0.000 0.438 291 G N 1.088 109.899 108.800 0.019 0.000 2.494 291 G HA2 -0.071 3.889 3.960 0.000 0.000 0.216 291 G HA3 -0.071 3.889 3.960 0.000 0.000 0.216 291 G C 1.330 176.237 174.900 0.010 0.000 1.140 291 G CA 0.410 45.516 45.100 0.011 0.000 0.801 291 G HN 0.480 nan 8.290 nan 0.000 0.536 292 I N -1.686 118.897 120.570 0.021 0.000 3.941 292 I HA 0.327 4.497 4.170 0.000 0.000 0.335 292 I C 0.715 176.849 176.117 0.028 0.000 1.402 292 I CA -0.433 60.880 61.300 0.023 0.000 1.112 292 I CB 0.168 38.189 38.000 0.036 0.000 1.043 292 I HN -0.147 nan 8.210 nan 0.000 0.395 293 T N 4.040 118.610 114.554 0.028 0.000 2.946 293 T HA 0.108 4.458 4.350 0.000 0.000 0.312 293 T C -0.812 173.901 174.700 0.020 0.000 1.066 293 T CA -0.501 61.616 62.100 0.029 0.000 1.138 293 T CB 0.516 69.400 68.868 0.027 0.000 1.014 293 T HN 0.367 nan 8.240 nan 0.000 0.544 294 P HA 0.175 nan 4.420 nan 0.000 0.257 294 P C -0.171 177.154 177.300 0.042 0.000 1.325 294 P CA -0.188 62.931 63.100 0.031 0.000 0.850 294 P CB -0.017 31.698 31.700 0.026 0.000 1.324 295 V N 3.267 123.208 119.914 0.044 0.000 2.450 295 V HA 0.061 4.181 4.120 0.000 0.000 0.281 295 V C -1.967 174.176 176.094 0.082 0.000 1.019 295 V CA -0.925 61.412 62.300 0.061 0.000 1.062 295 V CB -0.136 31.725 31.823 0.063 0.000 0.979 295 V HN 0.124 nan 8.190 nan 0.000 0.477 296 P HA 0.203 nan 4.420 nan 0.000 0.271 296 P C -0.666 176.724 177.300 0.148 0.000 1.216 296 P CA 0.014 63.180 63.100 0.111 0.000 0.776 296 P CB 0.695 32.465 31.700 0.117 0.000 0.881 297 V N 2.414 122.397 119.914 0.115 0.000 2.628 297 V HA 0.641 4.761 4.120 0.000 0.000 0.306 297 V C 0.256 176.392 176.094 0.070 0.000 1.045 297 V CA -0.220 62.163 62.300 0.139 0.000 0.905 297 V CB 1.734 33.645 31.823 0.147 0.000 0.997 297 V HN 0.751 nan 8.190 nan 0.000 0.436 298 S N 2.676 118.427 115.700 0.085 0.000 2.661 298 S HA 0.925 5.395 4.470 0.000 0.000 0.285 298 S C -0.713 173.878 174.600 -0.016 0.000 1.138 298 S CA -0.349 57.819 58.200 -0.052 0.000 0.855 298 S CB 2.510 65.534 63.200 -0.293 0.000 1.136 298 S HN 1.014 nan 8.310 nan 0.000 0.484 299 T N -1.434 113.068 114.554 -0.087 0.000 2.722 299 T HA 0.613 4.963 4.350 0.000 0.000 0.314 299 T C 0.244 174.898 174.700 -0.076 0.000 1.675 299 T CA 0.450 62.469 62.100 -0.135 0.000 1.003 299 T CB 0.604 69.213 68.868 -0.432 0.000 1.602 299 T HN 2.223 nan 8.240 nan 0.000 0.496 300 G N 1.312 110.063 108.800 -0.082 0.000 3.110 300 G HA2 -0.108 3.852 3.960 0.000 0.000 0.205 300 G HA3 -0.108 3.852 3.960 0.000 0.000 0.205 300 G C 0.770 175.742 174.900 0.118 0.000 1.019 300 G CA 1.007 46.144 45.100 0.061 0.000 0.826 300 G HN 0.959 nan 8.290 nan 0.000 0.481 301 E N 0.020 120.215 120.200 -0.008 0.000 2.265 301 E HA -0.070 4.280 4.350 0.000 0.000 0.196 301 E C 1.334 177.943 176.600 0.015 0.000 0.996 301 E CA 1.188 57.515 56.400 -0.121 0.000 0.832 301 E CB -0.332 29.032 29.700 -0.561 0.000 0.756 301 E HN 0.703 nan 8.360 nan 0.000 0.491 302 H N -0.085 118.922 119.070 -0.105 0.000 2.784 302 H HA 0.180 4.736 4.556 -0.000 0.000 0.273 302 H C -0.310 174.951 175.328 -0.111 0.000 1.112 302 H CA -0.492 55.501 56.048 -0.092 0.000 1.162 302 H CB 0.973 30.677 29.762 -0.098 0.000 1.586 302 H HN -0.002 nan 8.280 nan 0.000 0.548 303 T N 2.221 116.738 114.554 -0.063 0.000 2.817 303 T HA -0.085 4.265 4.350 0.000 0.000 0.295 303 T C 1.604 176.247 174.700 -0.095 0.000 0.958 303 T CA -0.099 61.828 62.100 -0.289 0.000 1.157 303 T CB 1.228 69.501 68.868 -0.992 0.000 0.898 303 T HN 0.568 nan 8.240 nan 0.000 0.536 304 Q N 3.254 122.997 119.800 -0.095 0.000 2.124 304 Q HA -0.145 4.195 4.340 0.000 0.000 0.202 304 Q C 0.485 176.530 176.000 0.074 0.000 0.977 304 Q CA 1.197 56.993 55.803 -0.013 0.000 0.850 304 Q CB -0.209 28.485 28.738 -0.073 0.000 0.901 304 Q HN 0.797 nan 8.270 nan 0.000 0.429 305 N N -1.294 117.447 118.700 0.068 0.000 3.179 305 N HA 0.081 4.821 4.740 0.000 0.000 0.250 305 N C -0.018 175.641 175.510 0.249 0.000 1.507 305 N CA -0.611 52.535 53.050 0.160 0.000 0.883 305 N CB 0.361 38.869 38.487 0.035 0.000 1.435 305 N HN 0.049 nan 8.380 nan 0.000 0.532 306 R N -0.548 120.091 120.500 0.232 0.000 2.193 306 R HA 0.012 4.352 4.340 0.000 0.000 0.229 306 R C 0.349 176.749 176.300 0.167 0.000 1.110 306 R CA 1.410 57.647 56.100 0.227 0.000 0.988 306 R CB -0.805 29.558 30.300 0.105 0.000 0.871 306 R HN 0.322 nan 8.270 nan 0.000 0.458 307 V N 1.259 121.234 119.914 0.101 0.000 2.453 307 V HA -0.151 3.969 4.120 0.000 0.000 0.247 307 V C 2.440 178.531 176.094 -0.006 0.000 1.048 307 V CA 1.291 63.619 62.300 0.046 0.000 1.049 307 V CB 0.015 31.831 31.823 -0.012 0.000 0.672 307 V HN 0.168 nan 8.190 nan 0.000 0.457 308 V N -0.953 118.933 119.914 -0.046 0.000 2.453 308 V HA -0.167 3.953 4.120 0.000 0.000 0.247 308 V C 2.144 178.135 176.094 -0.172 0.000 1.048 308 V CA 1.768 63.981 62.300 -0.144 0.000 1.049 308 V CB -0.756 30.927 31.823 -0.233 0.000 0.672 308 V HN 0.428 nan 8.190 nan 0.000 0.457 309 F N 0.699 120.600 119.950 -0.083 0.000 2.146 309 F HA -0.148 4.378 4.527 0.000 0.000 0.298 309 F C 2.504 178.208 175.800 -0.161 0.000 1.096 309 F CA 2.050 59.984 58.000 -0.110 0.000 1.275 309 F CB -0.263 38.686 39.000 -0.084 0.000 1.008 309 F HN 0.010 nan 8.300 nan 0.000 0.480 310 K N 0.454 120.886 120.400 0.053 0.000 2.044 310 K HA -0.276 4.044 4.320 0.000 0.000 0.210 310 K C 1.954 178.472 176.600 -0.136 0.000 1.049 310 K CA 1.976 58.222 56.287 -0.069 0.000 0.927 310 K CB -0.228 32.281 32.500 0.015 0.000 0.713 310 K HN 0.347 nan 8.250 nan 0.000 0.443 311 Q N -0.041 119.709 119.800 -0.084 0.000 2.123 311 Q HA -0.089 4.251 4.340 0.000 0.000 0.199 311 Q C 2.104 178.041 176.000 -0.104 0.000 0.966 311 Q CA 0.730 56.484 55.803 -0.081 0.000 0.845 311 Q CB 0.064 28.763 28.738 -0.066 0.000 0.907 311 Q HN 0.243 nan 8.270 nan 0.000 0.439 312 L N 0.213 121.359 121.223 -0.128 0.000 2.042 312 L HA -0.197 4.143 4.340 0.000 0.000 0.210 312 L C 2.132 178.926 176.870 -0.127 0.000 1.076 312 L CA 1.513 56.278 54.840 -0.124 0.000 0.749 312 L CB -1.035 40.932 42.059 -0.154 0.000 0.893 312 L HN 0.307 nan 8.230 nan 0.000 0.432 313 L N -0.715 120.368 121.223 -0.233 0.000 2.056 313 L HA -0.160 4.180 4.340 0.000 0.000 0.207 313 L C 2.661 179.358 176.870 -0.289 0.000 1.078 313 L CA 1.421 56.021 54.840 -0.399 0.000 0.749 313 L CB -1.165 40.293 42.059 -1.002 0.000 0.901 313 L HN 0.355 nan 8.230 nan 0.000 0.433 314 Q N -0.944 118.711 119.800 -0.241 0.000 2.124 314 Q HA -0.097 4.243 4.340 0.000 0.000 0.202 314 Q C 1.979 178.014 176.000 0.058 0.000 0.977 314 Q CA 1.539 57.363 55.803 0.035 0.000 0.850 314 Q CB -0.234 28.533 28.738 0.048 0.000 0.901 314 Q HN 0.516 nan 8.270 nan 0.000 0.429 315 A N 0.245 123.070 122.820 0.008 0.000 2.238 315 A HA 0.267 4.587 4.320 0.000 0.000 0.208 315 A C 1.315 178.921 177.584 0.036 0.000 1.177 315 A CA 0.571 52.622 52.037 0.024 0.000 0.804 315 A CB -0.515 18.490 19.000 0.009 0.000 0.823 315 A HN 0.426 nan 8.150 nan 0.000 0.482 316 G N -1.286 107.539 108.800 0.041 0.000 2.356 316 G HA2 -0.075 3.885 3.960 0.000 0.000 0.296 316 G HA3 -0.075 3.885 3.960 0.000 0.000 0.296 316 G C 0.827 175.752 174.900 0.042 0.000 1.022 316 G CA 0.514 45.646 45.100 0.054 0.000 0.961 316 G HN 1.385 nan 8.290 nan 0.000 0.510 317 A N -1.497 121.338 122.820 0.025 0.000 2.178 317 A HA 0.585 4.905 4.320 0.000 0.000 0.211 317 A C 1.305 178.916 177.584 0.045 0.000 1.157 317 A CA 1.689 53.752 52.037 0.042 0.000 0.780 317 A CB 0.214 19.233 19.000 0.032 0.000 0.828 317 A HN 1.905 nan 8.150 nan 0.000 0.476 318 V N -4.235 115.690 119.914 0.018 0.000 3.007 318 V HA 0.601 4.721 4.120 0.000 0.000 0.311 318 V C -0.355 175.749 176.094 0.017 0.000 1.120 318 V CA -0.530 61.776 62.300 0.010 0.000 0.980 318 V CB 1.730 33.535 31.823 -0.029 0.000 1.033 318 V HN 0.124 nan 8.190 nan 0.000 0.429 319 D N 1.437 121.840 120.400 0.005 0.000 2.338 319 D HA 0.387 5.027 4.640 0.000 0.000 0.208 319 D C 0.137 176.422 176.300 -0.025 0.000 0.997 319 D CA 1.244 55.248 54.000 0.006 0.000 0.880 319 D CB 0.442 41.250 40.800 0.012 0.000 0.980 319 D HN 0.702 nan 8.370 nan 0.000 0.509 320 L N -1.564 119.606 121.223 -0.089 0.000 2.671 320 L HA 0.587 4.927 4.340 0.000 0.000 0.259 320 L C -1.435 175.362 176.870 -0.122 0.000 1.021 320 L CA -1.427 53.345 54.840 -0.113 0.000 0.871 320 L CB 1.507 43.388 42.059 -0.297 0.000 1.472 320 L HN -0.100 nan 8.230 nan 0.000 0.410 321 I N -1.590 118.958 120.570 -0.036 0.000 2.934 321 I HA 0.803 4.973 4.170 0.000 0.000 0.306 321 I C -1.034 175.117 176.117 0.058 0.000 1.110 321 I CA -0.795 60.519 61.300 0.023 0.000 1.019 321 I CB 2.280 40.368 38.000 0.147 0.000 1.227 321 I HN 0.712 nan 8.210 nan 0.000 0.434 322 Q N 3.449 123.318 119.800 0.114 0.000 2.226 322 Q HA 0.736 5.076 4.340 0.000 0.000 0.256 322 Q C -0.712 175.395 176.000 0.177 0.000 0.962 322 Q CA -0.469 55.427 55.803 0.154 0.000 0.887 322 Q CB 2.273 31.116 28.738 0.176 0.000 1.282 322 Q HN 0.695 nan 8.270 nan 0.000 0.449 323 I N -2.729 117.908 120.570 0.111 0.000 2.892 323 I HA 0.703 4.873 4.170 0.000 0.000 0.306 323 I C -0.957 175.233 176.117 0.121 0.000 1.078 323 I CA -0.927 60.399 61.300 0.044 0.000 1.032 323 I CB 2.489 40.429 38.000 -0.100 0.000 1.229 323 I HN 0.369 nan 8.210 nan 0.000 0.435 324 D N 2.947 123.424 120.400 0.128 0.000 2.780 324 D HA 0.474 5.114 4.640 0.000 0.000 0.242 324 D C 0.371 176.730 176.300 0.099 0.000 1.135 324 D CA -0.488 53.606 54.000 0.157 0.000 0.859 324 D CB 2.746 43.659 40.800 0.188 0.000 1.530 324 D HN 0.770 nan 8.370 nan 0.000 0.493 325 A N 2.660 125.526 122.820 0.076 0.000 2.014 325 A HA 0.142 4.462 4.320 0.000 0.000 0.218 325 A C 1.529 179.132 177.584 0.033 0.000 1.163 325 A CA 1.634 53.698 52.037 0.044 0.000 0.652 325 A CB -0.000 18.997 19.000 -0.005 0.000 0.808 325 A HN 0.542 nan 8.150 nan 0.000 0.449 326 A N -1.481 121.377 122.820 0.063 0.000 2.431 326 A HA 0.360 4.680 4.320 0.000 0.000 0.239 326 A C 1.798 179.423 177.584 0.070 0.000 1.230 326 A CA 0.635 52.709 52.037 0.062 0.000 0.928 326 A CB -0.089 18.969 19.000 0.096 0.000 1.006 326 A HN 0.315 nan 8.150 nan 0.000 0.520 327 R N 0.405 120.961 120.500 0.094 0.000 2.100 327 R HA 0.034 4.374 4.340 0.000 0.000 0.220 327 R C 1.048 177.402 176.300 0.090 0.000 1.091 327 R CA 1.922 58.079 56.100 0.095 0.000 0.986 327 R CB -0.680 29.702 30.300 0.136 0.000 0.888 327 R HN 0.430 nan 8.270 nan 0.000 0.444 328 V N -3.181 116.785 119.914 0.086 0.000 3.842 328 V HA 0.599 4.719 4.120 0.000 0.000 0.281 328 V C 0.994 176.982 176.094 -0.178 0.000 1.228 328 V CA -0.483 61.873 62.300 0.093 0.000 0.897 328 V CB 0.268 32.189 31.823 0.163 0.000 1.257 328 V HN 0.075 nan 8.190 nan 0.000 0.451 329 G N -0.167 108.521 108.800 -0.186 0.000 3.581 329 G HA2 0.538 4.498 3.960 0.000 0.000 0.255 329 G HA3 0.538 4.498 3.960 0.000 0.000 0.255 329 G C 0.721 175.582 174.900 -0.064 0.000 1.121 329 G CA 0.522 45.431 45.100 -0.317 0.000 1.739 329 G HN 1.847 nan 8.290 nan 0.000 0.646 330 G N -0.371 108.404 108.800 -0.042 0.000 2.692 330 G HA2 -0.243 3.717 3.960 0.000 0.000 0.248 330 G HA3 -0.243 3.717 3.960 0.000 0.000 0.248 330 G C 1.151 176.021 174.900 -0.051 0.000 1.340 330 G CA -0.238 44.874 45.100 0.020 0.000 0.896 330 G HN 0.738 nan 8.290 nan 0.000 0.570 331 V N 0.537 120.334 119.914 -0.196 0.000 2.278 331 V HA -0.325 3.795 4.120 0.000 0.000 0.251 331 V C 2.796 178.656 176.094 -0.391 0.000 1.062 331 V CA 3.285 65.263 62.300 -0.538 0.000 1.038 331 V CB -1.048 29.832 31.823 -1.571 0.000 0.646 331 V HN 0.740 nan 8.190 nan 0.000 0.447 332 N N 0.104 118.719 118.700 -0.143 0.000 2.061 332 N HA -0.247 4.493 4.740 0.000 0.000 0.193 332 N C 1.878 177.372 175.510 -0.027 0.000 1.030 332 N CA 1.902 54.982 53.050 0.050 0.000 0.856 332 N CB -0.308 38.310 38.487 0.218 0.000 1.023 332 N HN 0.677 nan 8.380 nan 0.000 0.424 333 E N 0.139 120.331 120.200 -0.013 0.000 2.107 333 E HA -0.046 4.304 4.350 0.000 0.000 0.191 333 E C 1.331 177.889 176.600 -0.070 0.000 0.982 333 E CA 0.763 57.157 56.400 -0.009 0.000 0.809 333 E CB 0.073 29.812 29.700 0.065 0.000 0.756 333 E HN 0.287 nan 8.360 nan 0.000 0.459 334 N N 0.324 118.964 118.700 -0.100 0.000 2.166 334 N HA -0.129 4.611 4.740 0.000 0.000 0.186 334 N C 1.859 177.274 175.510 -0.158 0.000 1.019 334 N CA 0.807 53.772 53.050 -0.142 0.000 0.856 334 N CB -0.103 38.312 38.487 -0.121 0.000 0.993 334 N HN 0.251 nan 8.380 nan 0.000 0.426 335 L N 0.629 121.759 121.223 -0.155 0.000 2.083 335 L HA -0.116 4.223 4.340 0.000 0.000 0.209 335 L C 2.426 179.230 176.870 -0.109 0.000 1.083 335 L CA 1.052 55.816 54.840 -0.126 0.000 0.752 335 L CB -0.462 41.528 42.059 -0.115 0.000 0.899 335 L HN 0.104 nan 8.230 nan 0.000 0.433 336 A N 0.343 123.085 122.820 -0.129 0.000 1.902 336 A HA -0.170 4.150 4.320 0.000 0.000 0.217 336 A C 2.194 179.711 177.584 -0.112 0.000 1.181 336 A CA 1.464 53.416 52.037 -0.142 0.000 0.623 336 A CB -0.606 18.291 19.000 -0.172 0.000 0.818 336 A HN 0.339 nan 8.150 nan 0.000 0.443 337 I N -0.417 120.054 120.570 -0.164 0.000 2.226 337 I HA -0.261 3.909 4.170 0.000 0.000 0.245 337 I C 2.357 178.351 176.117 -0.204 0.000 1.100 337 I CA 1.112 62.252 61.300 -0.266 0.000 1.374 337 I CB -0.329 37.340 38.000 -0.553 0.000 1.057 337 I HN 0.275 nan 8.210 nan 0.000 0.413 338 L N 0.024 121.150 121.223 -0.161 0.000 2.083 338 L HA -0.230 4.110 4.340 0.000 0.000 0.209 338 L C 2.490 179.343 176.870 -0.027 0.000 1.083 338 L CA 1.323 56.108 54.840 -0.092 0.000 0.752 338 L CB -0.453 41.562 42.059 -0.073 0.000 0.899 338 L HN 0.272 nan 8.230 nan 0.000 0.433 339 L N -1.180 120.034 121.223 -0.015 0.000 2.056 339 L HA -0.212 4.128 4.340 0.000 0.000 0.207 339 L C 2.499 179.423 176.870 0.090 0.000 1.078 339 L CA 0.629 55.492 54.840 0.040 0.000 0.749 339 L CB -0.361 41.727 42.059 0.050 0.000 0.901 339 L HN 0.256 nan 8.230 nan 0.000 0.433 340 L N -0.097 121.175 121.223 0.080 0.000 2.017 340 L HA -0.202 4.138 4.340 0.000 0.000 0.208 340 L C 2.893 179.899 176.870 0.227 0.000 1.073 340 L CA 2.203 57.148 54.840 0.175 0.000 0.745 340 L CB -1.597 40.500 42.059 0.063 0.000 0.894 340 L HN 0.235 nan 8.230 nan 0.000 0.432 341 A N -0.332 122.540 122.820 0.087 0.000 1.908 341 A HA -0.191 4.129 4.320 0.000 0.000 0.218 341 A C 2.503 180.173 177.584 0.143 0.000 1.181 341 A CA 2.036 54.130 52.037 0.096 0.000 0.627 341 A CB -0.666 18.344 19.000 0.016 0.000 0.818 341 A HN 0.437 nan 8.150 nan 0.000 0.445 342 A N -0.369 122.515 122.820 0.106 0.000 1.902 342 A HA -0.163 4.157 4.320 0.000 0.000 0.217 342 A C 2.135 179.779 177.584 0.100 0.000 1.181 342 A CA 2.007 54.097 52.037 0.088 0.000 0.623 342 A CB -0.442 18.593 19.000 0.059 0.000 0.818 342 A HN 0.562 nan 8.150 nan 0.000 0.443 343 K N -1.747 118.733 120.400 0.134 0.000 2.148 343 K HA -0.072 4.248 4.320 0.000 0.000 0.204 343 K C 0.887 177.473 176.600 -0.022 0.000 1.050 343 K CA 1.317 57.638 56.287 0.057 0.000 0.942 343 K CB -0.209 32.332 32.500 0.068 0.000 0.724 343 K HN 0.409 nan 8.250 nan 0.000 0.446 344 F N 0.184 120.154 119.950 0.034 0.000 2.765 344 F HA 0.262 4.789 4.527 -0.000 0.000 0.302 344 F C 1.132 176.952 175.800 0.033 0.000 1.111 344 F CA 0.465 58.486 58.000 0.035 0.000 1.359 344 F CB 0.715 39.740 39.000 0.041 0.000 1.097 344 F HN 0.195 nan 8.300 nan 0.000 0.577 345 G N 1.638 110.539 108.800 0.168 0.000 2.295 345 G HA2 -0.176 3.784 3.960 0.000 0.000 0.287 345 G HA3 -0.176 3.784 3.960 0.000 0.000 0.287 345 G C -0.125 174.847 174.900 0.119 0.000 1.055 345 G CA 0.310 45.477 45.100 0.112 0.000 0.922 345 G HN 0.539 nan 8.290 nan 0.000 0.503 346 V N -2.816 117.176 119.914 0.130 0.000 2.417 346 V HA 0.812 4.932 4.120 0.000 0.000 0.291 346 V C 0.636 176.785 176.094 0.093 0.000 1.024 346 V CA -1.788 60.575 62.300 0.104 0.000 0.861 346 V CB 1.293 33.172 31.823 0.092 0.000 0.985 346 V HN 0.417 nan 8.190 nan 0.000 0.436 347 R N 2.932 123.498 120.500 0.110 0.000 2.734 347 R HA 0.559 4.899 4.340 0.000 0.000 0.266 347 R C -0.684 175.708 176.300 0.153 0.000 1.044 347 R CA -0.218 55.963 56.100 0.135 0.000 1.128 347 R CB 1.069 31.519 30.300 0.250 0.000 1.010 347 R HN 0.716 nan 8.270 nan 0.000 0.461 348 V N 3.687 123.656 119.914 0.091 0.000 2.409 348 V HA 0.309 4.429 4.120 0.000 0.000 0.291 348 V C -0.939 175.188 176.094 0.056 0.000 1.020 348 V CA -0.497 61.856 62.300 0.088 0.000 0.848 348 V CB 1.155 32.982 31.823 0.007 0.000 0.990 348 V HN 0.517 nan 8.190 nan 0.000 0.430 349 F N 5.710 125.612 119.950 -0.080 0.000 2.359 349 F HA 0.480 5.007 4.527 0.000 0.000 0.370 349 F C -2.220 173.617 175.800 0.062 0.000 1.077 349 F CA -2.882 55.110 58.000 -0.014 0.000 1.136 349 F CB 1.277 40.154 39.000 -0.205 0.000 1.387 349 F HN 0.323 nan 8.300 nan 0.000 0.468 350 P HA -0.105 nan 4.420 nan 0.000 0.263 350 P C -0.446 176.951 177.300 0.162 0.000 1.175 350 P CA 0.439 63.594 63.100 0.092 0.000 0.761 350 P CB 0.243 31.905 31.700 -0.063 0.000 0.794 351 H N 2.712 121.832 119.070 0.084 0.000 2.582 351 H HA 0.590 5.146 4.556 0.000 0.000 0.345 351 H C -0.331 174.998 175.328 0.001 0.000 1.104 351 H CA -0.077 56.021 56.048 0.083 0.000 1.390 351 H CB 0.450 30.262 29.762 0.083 0.000 1.461 351 H HN 0.493 nan 8.280 nan 0.000 0.551 352 A N 2.733 125.119 122.820 -0.724 0.000 2.535 352 A HA 0.801 5.121 4.320 0.000 0.000 0.296 352 A C 0.443 177.643 177.584 -0.639 0.000 1.248 352 A CA -0.235 51.473 52.037 -0.549 0.000 0.686 352 A CB 0.668 19.522 19.000 -0.245 0.000 1.315 352 A HN 1.529 nan 8.150 nan 0.000 0.460 353 G N -1.552 106.993 108.800 -0.425 0.000 2.709 353 G HA2 0.442 4.402 3.960 0.000 0.000 0.228 353 G HA3 0.442 4.402 3.960 0.000 0.000 0.228 353 G C 1.646 176.142 174.900 -0.674 0.000 1.215 353 G CA 1.120 45.980 45.100 -0.399 0.000 1.003 353 G HN 2.803 nan 8.290 nan 0.000 0.584 354 G N -1.078 107.070 108.800 -1.087 0.000 2.684 354 G HA2 0.014 3.974 3.960 0.000 0.000 0.342 354 G HA3 0.014 3.974 3.960 0.000 0.000 0.342 354 G C 0.546 174.856 174.900 -0.984 0.000 1.316 354 G CA 2.220 46.005 45.100 -2.191 0.000 0.994 354 G HN 2.020 nan 8.290 nan 0.000 0.541 355 V N 1.072 120.540 119.914 -0.745 0.000 2.326 355 V HA 0.597 4.717 4.120 0.000 0.000 0.281 355 V C 1.268 177.353 176.094 -0.015 0.000 1.015 355 V CA 0.730 62.980 62.300 -0.083 0.000 0.823 355 V CB 0.221 32.210 31.823 0.276 0.000 1.009 355 V HN 2.562 nan 8.190 nan 0.000 0.436 356 G N 4.390 113.136 108.800 -0.090 0.000 2.166 356 G HA2 -0.241 3.719 3.960 0.000 0.000 0.260 356 G HA3 -0.241 3.719 3.960 0.000 0.000 0.260 356 G C 0.642 175.340 174.900 -0.338 0.000 0.986 356 G CA 0.423 45.241 45.100 -0.470 0.000 0.683 356 G HN 0.525 nan 8.290 nan 0.000 0.527 357 L N -0.489 120.559 121.223 -0.291 0.000 2.217 357 L HA 0.026 4.366 4.340 0.000 0.000 0.211 357 L C 2.986 179.739 176.870 -0.195 0.000 1.107 357 L CA 1.649 56.343 54.840 -0.243 0.000 0.783 357 L CB -1.631 40.244 42.059 -0.307 0.000 0.919 357 L HN 0.517 nan 8.230 nan 0.000 0.442 358 C N 0.025 119.233 119.300 -0.153 0.000 2.453 358 C HA -0.118 4.342 4.460 0.000 0.000 0.277 358 C C 2.674 177.616 174.990 -0.080 0.000 1.262 358 C CA 0.280 59.278 59.018 -0.033 0.000 1.718 358 C CB -0.404 27.460 27.740 0.207 0.000 2.031 358 C HN 0.468 nan 8.230 nan 0.000 0.480 359 E N 1.046 121.156 120.200 -0.151 0.000 2.097 359 E HA -0.164 4.186 4.350 0.000 0.000 0.196 359 E C 2.017 178.613 176.600 -0.007 0.000 1.000 359 E CA 1.204 57.511 56.400 -0.155 0.000 0.804 359 E CB -0.365 29.067 29.700 -0.447 0.000 0.740 359 E HN 0.585 nan 8.360 nan 0.000 0.454 360 L N -0.668 120.496 121.223 -0.097 0.000 1.993 360 L HA -0.086 4.254 4.340 0.000 0.000 0.206 360 L C 2.384 179.381 176.870 0.213 0.000 1.074 360 L CA 0.714 55.524 54.840 -0.050 0.000 0.746 360 L CB -0.704 41.138 42.059 -0.362 0.000 0.896 360 L HN 0.044 nan 8.230 nan 0.000 0.435 361 V N 0.820 120.741 119.914 0.013 0.000 2.594 361 V HA -0.289 3.831 4.120 0.000 0.000 0.253 361 V C 2.657 178.667 176.094 -0.139 0.000 1.069 361 V CA 2.043 64.329 62.300 -0.022 0.000 1.082 361 V CB -0.509 31.261 31.823 -0.090 0.000 0.680 361 V HN 0.677 nan 8.190 nan 0.000 0.469 362 Q N -1.098 118.545 119.800 -0.262 0.000 2.135 362 Q HA -0.313 4.027 4.340 0.000 0.000 0.204 362 Q C 1.889 177.674 176.000 -0.359 0.000 0.981 362 Q CA 2.560 58.054 55.803 -0.514 0.000 0.856 362 Q CB -0.703 27.675 28.738 -0.601 0.000 0.902 362 Q HN 0.751 nan 8.270 nan 0.000 0.425 363 H N 0.752 119.789 119.070 -0.055 0.000 2.387 363 H HA -0.018 4.538 4.556 -0.000 0.000 0.299 363 H C 2.020 177.346 175.328 -0.003 0.000 1.090 363 H CA 1.807 57.887 56.048 0.053 0.000 1.332 363 H CB 0.035 29.868 29.762 0.118 0.000 1.386 363 H HN 0.155 nan 8.280 nan 0.000 0.516 364 L N -0.353 120.912 121.223 0.071 0.000 2.027 364 L HA -0.126 4.214 4.340 0.000 0.000 0.206 364 L C 2.762 179.593 176.870 -0.065 0.000 1.074 364 L CA 0.893 55.724 54.840 -0.014 0.000 0.745 364 L CB -0.536 41.506 42.059 -0.027 0.000 0.898 364 L HN 0.330 nan 8.230 nan 0.000 0.433 365 A N -0.079 122.628 122.820 -0.189 0.000 1.933 365 A HA -0.204 4.116 4.320 0.000 0.000 0.218 365 A C 2.308 179.797 177.584 -0.159 0.000 1.175 365 A CA 1.694 53.564 52.037 -0.279 0.000 0.628 365 A CB -0.460 18.126 19.000 -0.691 0.000 0.814 365 A HN 0.348 nan 8.150 nan 0.000 0.444 366 M N -0.678 118.795 119.600 -0.210 0.000 2.175 366 M HA -0.084 4.396 4.480 0.000 0.000 0.264 366 M C 2.488 178.914 176.300 0.210 0.000 1.063 366 M CA 1.296 56.570 55.300 -0.043 0.000 1.119 366 M CB -0.343 32.031 32.600 -0.378 0.000 1.377 366 M HN 0.461 nan 8.290 nan 0.000 0.415 367 A N 0.215 123.170 122.820 0.224 0.000 1.969 367 A HA -0.215 4.105 4.320 0.000 0.000 0.218 367 A C 1.688 179.367 177.584 0.157 0.000 1.169 367 A CA 2.169 54.352 52.037 0.243 0.000 0.635 367 A CB -0.875 18.226 19.000 0.168 0.000 0.810 367 A HN 0.544 nan 8.150 nan 0.000 0.445 368 D N -1.303 119.171 120.400 0.123 0.000 2.097 368 D HA -0.207 4.433 4.640 0.000 0.000 0.195 368 D C 1.684 178.075 176.300 0.153 0.000 0.989 368 D CA 1.556 55.618 54.000 0.103 0.000 0.827 368 D CB -0.256 40.591 40.800 0.078 0.000 0.966 368 D HN 0.441 nan 8.370 nan 0.000 0.456 369 F N 0.244 120.252 119.950 0.096 0.000 2.095 369 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 369 F C 1.978 177.814 175.800 0.061 0.000 1.104 369 F CA 1.329 59.377 58.000 0.080 0.000 1.232 369 F CB -0.189 38.878 39.000 0.112 0.000 0.987 369 F HN -0.083 nan 8.300 nan 0.000 0.475 370 V N 0.312 120.198 119.914 -0.047 0.000 2.283 370 V HA -0.210 3.910 4.120 0.000 0.000 0.243 370 V C 2.480 178.516 176.094 -0.097 0.000 1.039 370 V CA 1.932 64.158 62.300 -0.123 0.000 1.016 370 V CB -1.247 30.673 31.823 0.163 0.000 0.650 370 V HN 0.471 nan 8.190 nan 0.000 0.449 371 A N -1.791 121.025 122.820 -0.008 0.000 2.220 371 A HA 0.323 4.643 4.320 0.000 0.000 0.211 371 A C 1.888 179.461 177.584 -0.017 0.000 1.176 371 A CA 0.488 52.519 52.037 -0.011 0.000 0.834 371 A CB 0.006 19.018 19.000 0.020 0.000 0.868 371 A HN 0.498 nan 8.150 nan 0.000 0.488 372 I N -1.679 118.881 120.570 -0.017 0.000 3.818 372 I HA -0.006 4.164 4.170 0.000 0.000 0.242 372 I C 2.556 178.661 176.117 -0.019 0.000 1.111 372 I CA 1.196 62.492 61.300 -0.006 0.000 1.576 372 I CB -0.358 37.652 38.000 0.017 0.000 1.572 372 I HN 0.299 nan 8.210 nan 0.000 0.450 373 T N -1.418 113.132 114.554 -0.008 0.000 2.939 373 T HA 0.172 4.522 4.350 0.000 0.000 0.254 373 T C 1.693 176.360 174.700 -0.055 0.000 1.041 373 T CA 0.929 63.028 62.100 -0.002 0.000 1.142 373 T CB -0.008 68.893 68.868 0.054 0.000 0.874 373 T HN 0.604 nan 8.240 nan 0.000 0.452 374 G N 1.525 110.223 108.800 -0.170 0.000 2.148 374 G HA2 -0.223 3.737 3.960 0.000 0.000 0.254 374 G HA3 -0.223 3.737 3.960 0.000 0.000 0.254 374 G C -0.117 174.798 174.900 0.025 0.000 0.981 374 G CA 0.275 45.147 45.100 -0.380 0.000 0.670 374 G HN 0.728 nan 8.290 nan 0.000 0.528 375 K N -0.268 120.277 120.400 0.242 0.000 2.413 375 K HA 0.699 5.019 4.320 0.000 0.000 0.257 375 K C 0.908 177.622 176.600 0.191 0.000 0.946 375 K CA -0.264 56.165 56.287 0.237 0.000 0.823 375 K CB 1.360 33.916 32.500 0.093 0.000 1.109 375 K HN 0.358 nan 8.250 nan 0.000 0.427 376 M N -0.677 118.864 119.600 -0.099 0.000 2.040 376 M HA 0.243 4.723 4.480 0.000 0.000 0.338 376 M C 0.430 176.427 176.300 -0.505 0.000 0.905 376 M CA -0.083 54.869 55.300 -0.581 0.000 1.148 376 M CB 0.574 32.313 32.600 -1.435 0.000 2.135 376 M HN 0.179 nan 8.290 nan 0.000 0.728 377 E N 2.508 122.526 120.200 -0.303 0.000 2.347 377 E HA -0.105 4.245 4.350 0.000 0.000 0.196 377 E C 0.765 177.299 176.600 -0.111 0.000 1.008 377 E CA 1.405 57.685 56.400 -0.201 0.000 0.852 377 E CB -0.172 29.456 29.700 -0.120 0.000 0.783 377 E HN 0.795 nan 8.360 nan 0.000 0.505 378 D N 0.356 120.698 120.400 -0.096 0.000 2.328 378 D HA -0.038 4.602 4.640 0.000 0.000 0.221 378 D C 0.866 177.129 176.300 -0.062 0.000 1.072 378 D CA 0.008 53.998 54.000 -0.017 0.000 0.850 378 D CB 0.261 41.073 40.800 0.019 0.000 0.922 378 D HN 0.063 nan 8.370 nan 0.000 0.516 379 R N -0.880 119.449 120.500 -0.284 0.000 2.909 379 R HA 0.834 5.174 4.340 0.000 0.000 0.262 379 R C -1.512 174.481 176.300 -0.511 0.000 1.095 379 R CA -0.996 54.581 56.100 -0.871 0.000 0.965 379 R CB 0.766 30.459 30.300 -1.010 0.000 1.300 379 R HN -0.032 nan 8.270 nan 0.000 0.442 380 A N 0.200 122.670 122.820 -0.583 0.000 2.586 380 A HA 0.583 4.903 4.320 0.000 0.000 0.291 380 A C -1.396 176.346 177.584 0.264 0.000 1.062 380 A CA -0.882 51.237 52.037 0.136 0.000 0.666 380 A CB 1.227 20.473 19.000 0.409 0.000 1.281 380 A HN 0.559 nan 8.150 nan 0.000 0.421 381 I N 1.274 122.007 120.570 0.272 0.000 2.359 381 I HA 0.316 4.486 4.170 0.000 0.000 0.294 381 I C 0.626 176.802 176.117 0.098 0.000 0.987 381 I CA -0.371 60.974 61.300 0.075 0.000 1.225 381 I CB 1.643 39.437 38.000 -0.343 0.000 1.366 381 I HN 0.876 nan 8.210 nan 0.000 0.466 382 E N 5.640 125.755 120.200 -0.143 0.000 2.415 382 E HA 0.131 4.481 4.350 0.000 0.000 0.262 382 E C -1.550 174.989 176.600 -0.102 0.000 1.038 382 E CA 0.017 56.038 56.400 -0.632 0.000 0.921 382 E CB 0.789 30.238 29.700 -0.419 0.000 0.950 382 E HN 0.445 nan 8.360 nan 0.000 0.438 383 F N 4.169 123.933 119.950 -0.309 0.000 2.581 383 F HA 0.499 5.026 4.527 -0.000 0.000 0.311 383 F C -1.827 173.903 175.800 -0.117 0.000 1.113 383 F CA -0.690 57.261 58.000 -0.081 0.000 0.935 383 F CB 1.503 40.464 39.000 -0.066 0.000 1.232 383 F HN 0.226 nan 8.300 nan 0.000 0.445 384 V N 4.245 123.586 119.914 -0.954 0.000 2.709 384 V HA 0.281 4.401 4.120 0.000 0.000 0.308 384 V C -1.135 174.479 176.094 -0.800 0.000 1.062 384 V CA -0.767 61.198 62.300 -0.560 0.000 0.901 384 V CB 1.895 33.654 31.823 -0.106 0.000 1.003 384 V HN 0.674 nan 8.190 nan 0.000 0.425 385 D N 2.788 123.014 120.400 -0.291 0.000 2.639 385 D HA 0.338 4.978 4.640 0.000 0.000 0.233 385 D C -0.648 175.553 176.300 -0.165 0.000 1.161 385 D CA 0.032 53.972 54.000 -0.100 0.000 1.003 385 D CB -0.342 40.520 40.800 0.103 0.000 1.034 385 D HN 0.676 nan 8.370 nan 0.000 0.514 386 H N 0.258 119.118 119.070 -0.349 0.000 2.930 386 H HA 0.289 4.845 4.556 0.000 0.000 0.371 386 H C 0.582 175.578 175.328 -0.554 0.000 1.169 386 H CA -0.836 55.011 56.048 -0.335 0.000 1.157 386 H CB 1.429 31.058 29.762 -0.222 0.000 1.789 386 H HN -0.118 nan 8.280 nan 0.000 0.547 387 L N 0.739 121.815 121.223 -0.244 0.000 4.668 387 L HA -0.304 4.036 4.340 0.000 0.000 0.439 387 L C 1.369 178.236 176.870 -0.006 0.000 1.120 387 L CA 1.053 55.778 54.840 -0.192 0.000 0.961 387 L CB -1.886 39.925 42.059 -0.414 0.000 1.918 387 L HN 0.833 nan 8.230 nan 0.000 0.926 388 H N 0.435 119.579 119.070 0.123 0.000 2.489 388 H HA -0.075 4.481 4.556 -0.000 0.000 0.293 388 H C 2.028 177.473 175.328 0.195 0.000 1.066 388 H CA 1.496 57.670 56.048 0.211 0.000 1.305 388 H CB 0.063 29.906 29.762 0.134 0.000 1.386 388 H HN 0.759 nan 8.280 nan 0.000 0.551 389 Q N 1.098 120.953 119.800 0.091 0.000 2.437 389 Q HA -0.139 4.201 4.340 0.000 0.000 0.210 389 Q C 0.489 176.437 176.000 -0.088 0.000 0.972 389 Q CA 1.209 56.985 55.803 -0.046 0.000 0.903 389 Q CB -0.617 27.993 28.738 -0.213 0.000 0.967 389 Q HN 0.593 nan 8.270 nan 0.000 0.486 390 H N -0.897 118.192 119.070 0.032 0.000 2.526 390 H HA 0.310 4.866 4.556 -0.000 0.000 0.274 390 H C -0.670 174.357 175.328 -0.501 0.000 0.999 390 H CA -0.208 55.762 56.048 -0.129 0.000 1.157 390 H CB 0.026 29.583 29.762 -0.341 0.000 1.407 390 H HN 0.073 nan 8.280 nan 0.000 0.568 391 F N -0.457 119.471 119.950 -0.037 0.000 2.480 391 F HA 0.192 4.718 4.527 0.000 0.000 0.329 391 F C 0.579 176.169 175.800 -0.350 0.000 1.091 391 F CA -1.022 56.865 58.000 -0.189 0.000 0.972 391 F CB 1.442 40.428 39.000 -0.024 0.000 1.150 391 F HN -0.133 nan 8.300 nan 0.000 0.467 392 L N 0.802 121.869 121.223 -0.260 0.000 2.217 392 L HA -0.076 4.264 4.340 0.000 0.000 0.211 392 L C 0.752 177.645 176.870 0.038 0.000 1.107 392 L CA 1.529 56.262 54.840 -0.178 0.000 0.783 392 L CB -0.425 41.553 42.059 -0.135 0.000 0.919 392 L HN 0.520 nan 8.230 nan 0.000 0.442 393 D N 0.197 120.657 120.400 0.100 0.000 2.634 393 D HA 0.166 4.806 4.640 0.000 0.000 0.318 393 D C -2.399 173.972 176.300 0.118 0.000 1.226 393 D CA -2.206 51.864 54.000 0.116 0.000 0.899 393 D CB 0.594 41.473 40.800 0.131 0.000 1.025 393 D HN -0.003 nan 8.370 nan 0.000 0.501 394 P HA -0.006 nan 4.420 nan 0.000 0.267 394 P C 0.406 177.720 177.300 0.024 0.000 1.200 394 P CA -0.406 62.760 63.100 0.110 0.000 0.772 394 P CB 0.990 32.781 31.700 0.152 0.000 0.855 395 V N 0.966 120.853 119.914 -0.045 0.000 3.139 395 V HA 0.272 4.392 4.120 0.000 0.000 0.307 395 V C 0.358 176.389 176.094 -0.106 0.000 1.095 395 V CA -0.169 62.107 62.300 -0.040 0.000 1.160 395 V CB -0.454 31.387 31.823 0.031 0.000 1.003 395 V HN 0.416 nan 8.190 nan 0.000 0.489 396 R N 3.481 123.916 120.500 -0.109 0.000 2.451 396 R HA 0.645 4.985 4.340 0.000 0.000 0.307 396 R C -0.958 175.172 176.300 -0.283 0.000 0.965 396 R CA -0.460 55.544 56.100 -0.160 0.000 0.865 396 R CB 1.425 31.675 30.300 -0.084 0.000 1.174 396 R HN 0.706 nan 8.270 nan 0.000 0.455 397 I N 2.927 123.248 120.570 -0.416 0.000 2.336 397 I HA 0.253 4.423 4.170 0.000 0.000 0.292 397 I C -0.141 175.755 176.117 -0.370 0.000 0.991 397 I CA -0.328 60.635 61.300 -0.561 0.000 1.227 397 I CB 1.588 39.054 38.000 -0.889 0.000 1.366 397 I HN 0.610 nan 8.210 nan 0.000 0.466 398 Q N 6.735 126.347 119.800 -0.312 0.000 2.413 398 Q HA 0.191 4.531 4.340 0.000 0.000 0.258 398 Q C -0.123 175.766 176.000 -0.185 0.000 1.037 398 Q CA -0.403 55.281 55.803 -0.199 0.000 0.764 398 Q CB 0.434 29.093 28.738 -0.133 0.000 1.217 398 Q HN 0.658 nan 8.270 nan 0.000 0.490 399 H N 3.163 122.038 119.070 -0.324 0.000 2.591 399 H HA -0.241 4.315 4.556 0.000 0.000 0.325 399 H C 0.560 175.598 175.328 -0.483 0.000 1.096 399 H CA 1.422 57.262 56.048 -0.346 0.000 1.108 399 H CB -0.785 28.845 29.762 -0.220 0.000 1.590 399 H HN 1.197 nan 8.280 nan 0.000 0.399 400 G N 1.568 109.784 108.800 -0.974 0.000 2.155 400 G HA2 -0.313 3.647 3.960 0.000 0.000 0.257 400 G HA3 -0.313 3.647 3.960 0.000 0.000 0.257 400 G C 0.175 174.727 174.900 -0.581 0.000 0.983 400 G CA 0.662 45.037 45.100 -1.209 0.000 0.676 400 G HN 0.673 nan 8.290 nan 0.000 0.528 401 R N -1.310 118.925 120.500 -0.442 0.000 2.686 401 R HA 0.503 4.843 4.340 0.000 0.000 0.283 401 R C -0.950 175.205 176.300 -0.241 0.000 0.978 401 R CA -0.930 55.036 56.100 -0.223 0.000 0.897 401 R CB 1.308 31.523 30.300 -0.142 0.000 1.192 401 R HN 0.125 nan 8.270 nan 0.000 0.457 402 Y N 2.265 122.470 120.300 -0.158 0.000 2.377 402 Y HA 0.158 4.708 4.550 -0.000 0.000 0.330 402 Y C 0.474 176.271 175.900 -0.173 0.000 1.108 402 Y CA 0.121 58.113 58.100 -0.180 0.000 1.308 402 Y CB 0.699 39.058 38.460 -0.168 0.000 1.216 402 Y HN 0.234 nan 8.280 nan 0.000 0.518 403 L N 3.894 125.098 121.223 -0.033 0.000 2.334 403 L HA 0.480 4.820 4.340 0.000 0.000 0.277 403 L C 0.360 177.180 176.870 -0.083 0.000 1.075 403 L CA -1.064 53.738 54.840 -0.064 0.000 0.804 403 L CB 0.967 42.987 42.059 -0.065 0.000 1.174 403 L HN 0.691 nan 8.230 nan 0.000 0.438 404 A N 5.003 127.739 122.820 -0.142 0.000 2.524 404 A HA 0.353 4.673 4.320 0.000 0.000 0.250 404 A C -2.210 175.374 177.584 -0.001 0.000 1.078 404 A CA -0.843 51.043 52.037 -0.251 0.000 0.761 404 A CB -0.604 18.185 19.000 -0.352 0.000 1.012 404 A HN 0.433 nan 8.150 nan 0.000 0.500 405 P HA 0.140 nan 4.420 nan 0.000 0.268 405 P C 0.230 177.764 177.300 0.391 0.000 1.208 405 P CA 0.148 63.379 63.100 0.218 0.000 0.777 405 P CB 0.643 32.465 31.700 0.203 0.000 0.875 406 E N -0.323 120.032 120.200 0.258 0.000 2.399 406 E HA 0.084 4.434 4.350 0.000 0.000 0.206 406 E C 0.060 176.755 176.600 0.158 0.000 0.812 406 E CA -0.008 56.519 56.400 0.212 0.000 1.138 406 E CB 0.221 30.011 29.700 0.149 0.000 1.140 406 E HN 0.111 nan 8.360 nan 0.000 0.536 407 V N 3.691 123.696 119.914 0.152 0.000 2.963 407 V HA 0.076 4.196 4.120 0.000 0.000 0.306 407 V C -2.190 173.975 176.094 0.118 0.000 1.077 407 V CA -1.248 61.123 62.300 0.118 0.000 1.124 407 V CB 0.424 32.315 31.823 0.113 0.000 0.987 407 V HN 0.014 nan 8.190 nan 0.000 0.487 408 P HA 0.505 nan 4.420 nan 0.000 0.274 408 P C 0.196 177.522 177.300 0.044 0.000 1.231 408 P CA 0.927 64.048 63.100 0.034 0.000 0.790 408 P CB 0.703 32.408 31.700 0.009 0.000 0.951 409 G N 0.696 109.487 108.800 -0.015 0.000 2.434 409 G HA2 -0.187 3.773 3.960 0.000 0.000 0.671 409 G HA3 -0.187 3.773 3.960 0.000 0.000 0.671 409 G C -0.441 174.421 174.900 -0.063 0.000 1.280 409 G CA -0.658 44.443 45.100 0.002 0.000 0.975 409 G HN 0.464 nan 8.290 nan 0.000 0.510 410 F N 0.844 120.706 119.950 -0.146 0.000 2.727 410 F HA 0.314 4.841 4.527 -0.000 0.000 0.302 410 F C 1.772 177.566 175.800 -0.010 0.000 1.097 410 F CA 0.551 58.400 58.000 -0.251 0.000 1.330 410 F CB 0.169 39.124 39.000 -0.075 0.000 1.084 410 F HN 0.794 nan 8.300 nan 0.000 0.578 411 S N -0.256 115.623 115.700 0.298 0.000 3.382 411 S HA -0.309 4.161 4.470 0.000 0.000 0.293 411 S C 1.134 175.827 174.600 0.155 0.000 1.262 411 S CA 0.522 58.868 58.200 0.245 0.000 0.969 411 S CB -1.799 61.588 63.200 0.311 0.000 1.136 411 S HN 0.596 nan 8.310 nan 0.000 0.635 412 A N 0.731 123.657 122.820 0.177 0.000 2.021 412 A HA 0.191 4.511 4.320 0.000 0.000 0.216 412 A C 0.766 178.587 177.584 0.395 0.000 1.163 412 A CA 0.891 53.071 52.037 0.239 0.000 0.676 412 A CB -0.170 18.928 19.000 0.164 0.000 0.818 412 A HN 0.732 nan 8.150 nan 0.000 0.453 413 E N 0.311 120.582 120.200 0.118 0.000 2.529 413 E HA 0.162 4.512 4.350 0.000 0.000 0.259 413 E C -0.342 176.219 176.600 -0.065 0.000 0.966 413 E CA 0.257 56.505 56.400 -0.253 0.000 0.937 413 E CB 0.128 29.427 29.700 -0.668 0.000 0.923 413 E HN 0.463 nan 8.360 nan 0.000 0.468 414 M N 3.249 122.765 119.600 -0.141 0.000 2.578 414 M HA 0.250 4.730 4.480 0.000 0.000 0.321 414 M C -0.375 175.755 176.300 -0.283 0.000 1.182 414 M CA -0.998 54.047 55.300 -0.424 0.000 0.965 414 M CB 1.597 33.753 32.600 -0.740 0.000 1.694 414 M HN 0.508 nan 8.290 nan 0.000 0.461 415 H N 1.803 120.781 119.070 -0.153 0.000 3.004 415 H HA 0.039 4.595 4.556 0.000 0.000 0.316 415 H C -1.791 173.507 175.328 -0.051 0.000 1.014 415 H CA -0.957 55.055 56.048 -0.060 0.000 1.454 415 H CB 0.239 29.988 29.762 -0.022 0.000 1.472 415 H HN 0.348 nan 8.280 nan 0.000 0.571 416 P HA -0.183 nan 4.420 nan 0.000 0.216 416 P C 1.273 178.605 177.300 0.053 0.000 1.150 416 P CA 1.952 65.090 63.100 0.064 0.000 0.843 416 P CB 0.264 32.014 31.700 0.084 0.000 0.787 417 A N -0.912 121.956 122.820 0.079 0.000 1.933 417 A HA -0.162 4.158 4.320 0.000 0.000 0.218 417 A C 2.338 179.983 177.584 0.103 0.000 1.175 417 A CA 2.045 54.119 52.037 0.061 0.000 0.628 417 A CB -1.448 17.570 19.000 0.030 0.000 0.814 417 A HN 0.122 nan 8.150 nan 0.000 0.444 418 S N -0.272 115.540 115.700 0.186 0.000 2.382 418 S HA -0.124 4.346 4.470 0.000 0.000 0.228 418 S C 1.745 176.470 174.600 0.209 0.000 1.027 418 S CA 1.467 59.871 58.200 0.340 0.000 0.991 418 S CB -0.412 63.041 63.200 0.422 0.000 0.823 418 S HN 0.441 nan 8.310 nan 0.000 0.469 419 I N 2.174 122.764 120.570 0.035 0.000 2.142 419 I HA -0.155 4.015 4.170 0.000 0.000 0.240 419 I C 2.577 178.701 176.117 0.012 0.000 1.078 419 I CA 1.261 62.532 61.300 -0.050 0.000 1.343 419 I CB -0.946 36.940 38.000 -0.189 0.000 1.046 419 I HN 0.236 nan 8.210 nan 0.000 0.405 420 A N -0.492 122.334 122.820 0.010 0.000 1.978 420 A HA -0.263 4.057 4.320 0.000 0.000 0.220 420 A C 2.270 179.840 177.584 -0.023 0.000 1.170 420 A CA 2.111 54.155 52.037 0.013 0.000 0.636 420 A CB -0.599 18.408 19.000 0.011 0.000 0.810 420 A HN 0.442 nan 8.150 nan 0.000 0.448 421 E N -0.935 119.221 120.200 -0.074 0.000 2.076 421 E HA -0.002 4.348 4.350 0.000 0.000 0.190 421 E C 0.646 176.930 176.600 -0.526 0.000 0.979 421 E CA 1.042 57.245 56.400 -0.329 0.000 0.807 421 E CB -0.216 29.213 29.700 -0.452 0.000 0.761 421 E HN 0.583 nan 8.360 nan 0.000 0.454 422 F N 0.247 120.180 119.950 -0.028 0.000 2.668 422 F HA 0.390 4.917 4.527 0.000 0.000 0.301 422 F C 0.363 176.290 175.800 0.211 0.000 1.106 422 F CA -0.409 57.582 58.000 -0.014 0.000 1.289 422 F CB 0.514 39.221 39.000 -0.488 0.000 1.006 422 F HN -0.260 nan 8.300 nan 0.000 0.535 423 S N 0.509 116.380 115.700 0.285 0.000 2.549 423 S HA 0.065 4.535 4.470 0.000 0.000 0.283 423 S C -0.736 174.062 174.600 0.329 0.000 1.320 423 S CA -0.071 58.279 58.200 0.250 0.000 1.058 423 S CB 0.315 63.624 63.200 0.183 0.000 0.882 423 S HN 0.274 nan 8.310 nan 0.000 0.498 424 Y N 5.529 125.851 120.300 0.037 0.000 2.342 424 Y HA 0.435 4.985 4.550 0.000 0.000 0.334 424 Y C -1.665 174.198 175.900 -0.061 0.000 1.067 424 Y CA -1.955 56.063 58.100 -0.137 0.000 1.128 424 Y CB 1.558 39.796 38.460 -0.371 0.000 1.200 424 Y HN 0.437 nan 8.280 nan 0.000 0.464 425 P HA 0.054 nan 4.420 nan 0.000 0.268 425 P C -0.210 176.912 177.300 -0.297 0.000 1.248 425 P CA 0.409 62.892 63.100 -1.028 0.000 0.851 425 P CB 0.506 31.457 31.700 -1.248 0.000 1.238 426 D N 0.255 120.573 120.400 -0.137 0.000 2.344 426 D HA 0.108 4.748 4.640 0.000 0.000 0.242 426 D C 0.999 177.328 176.300 0.048 0.000 1.159 426 D CA -0.253 53.728 54.000 -0.032 0.000 0.859 426 D CB -0.887 39.896 40.800 -0.028 0.000 0.925 426 D HN 0.003 nan 8.370 nan 0.000 0.510 427 G N -0.046 108.838 108.800 0.141 0.000 2.539 427 G HA2 0.114 4.074 3.960 0.000 0.000 0.258 427 G HA3 0.114 4.074 3.960 0.000 0.000 0.258 427 G C 0.766 175.723 174.900 0.095 0.000 1.202 427 G CA -0.765 44.436 45.100 0.169 0.000 0.851 427 G HN 0.017 nan 8.290 nan 0.000 0.556 428 R N 0.605 121.103 120.500 -0.003 0.000 2.103 428 R HA -0.187 4.153 4.340 0.000 0.000 0.234 428 R C 2.228 178.464 176.300 -0.106 0.000 1.132 428 R CA 2.011 58.075 56.100 -0.060 0.000 0.925 428 R CB -0.527 29.716 30.300 -0.094 0.000 0.842 428 R HN 0.600 nan 8.270 nan 0.000 0.430 429 F N -0.120 119.594 119.950 -0.393 0.000 2.154 429 F HA -0.234 4.293 4.527 -0.000 0.000 0.301 429 F C 1.176 176.733 175.800 -0.405 0.000 1.087 429 F CA 1.626 59.311 58.000 -0.525 0.000 1.274 429 F CB -0.351 38.063 39.000 -0.977 0.000 1.009 429 F HN 0.125 nan 8.300 nan 0.000 0.485 430 W N -0.583 120.735 121.300 0.031 0.000 3.377 430 W HA 0.192 4.852 4.660 -0.000 0.000 0.277 430 W C 1.601 178.058 176.519 -0.104 0.000 1.311 430 W CA -0.082 57.264 57.345 0.002 0.000 1.703 430 W CB -0.148 29.425 29.460 0.189 0.000 1.095 430 W HN -0.171 nan 8.180 nan 0.000 0.715 431 V N 0.191 120.101 119.914 -0.008 0.000 3.649 431 V HA 0.076 4.196 4.120 0.000 0.000 0.275 431 V C 0.205 176.256 176.094 -0.071 0.000 1.281 431 V CA 0.818 63.102 62.300 -0.026 0.000 1.143 431 V CB -0.310 31.489 31.823 -0.041 0.000 0.892 431 V HN -0.095 nan 8.190 nan 0.000 0.441 432 E N 0.000 120.116 120.200 -0.140 0.000 2.725 432 E HA 0.000 4.350 4.350 0.000 0.000 0.291 432 E CA 0.000 56.312 56.400 -0.147 0.000 0.976 432 E CB 0.000 29.558 29.700 -0.236 0.000 0.812 432 E HN 0.000 nan 8.360 nan 0.000 0.440