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 2j1n_1_B DATA FIRST_RESID 1 DATA SEQUENCE AEVYNKDGNK LDLYGKVDGL HYFSDNKDVD GDQTYMRLGF KGETQVTDQL DATA SEQUENCE TGYGQWEYQI QGNSAENENN SWTRVAFAGL KFQDVGSFDY GRNYGVVYDV DATA SEQUENCE TSWTDVLPEF GGDTYGSDNF MQQRGNGFAT YRNTDFFGLV DGLNFAVQYQ DATA SEQUENCE GKNGNPSGEG FTSGVTNNGR DALRQNGDGV GGSITYDYEG FGIGGAISSS DATA SEQUENCE KRTDAQNTAA YIGNGDRAET YTGGLKYDAN NIYLAAQYTQ TYNATRVGSL DATA SEQUENCE GWANKAQNFE AVAQYQFDFG LRPSLAYLQS KGKNLGRGYD DEDILKYVDV DATA SEQUENCE GATYYFNKNM STYVDYKINL LDDNQFTRDA GINTDNIVAL GLVYQF 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.705 177.584 0.201 0.000 1.274 1 A CA 0.000 52.181 52.037 0.239 0.000 0.836 1 A CB 0.000 19.172 19.000 0.286 0.000 0.831 2 E N 1.733 122.017 120.200 0.140 0.000 2.159 2 E HA 0.319 4.682 4.350 0.021 0.000 0.272 2 E C 0.896 177.570 176.600 0.124 0.000 1.138 2 E CA 0.250 56.726 56.400 0.127 0.000 0.915 2 E CB 0.586 30.337 29.700 0.084 0.000 1.028 2 E HN 1.067 nan 8.360 nan 0.000 0.423 3 V N 2.922 122.929 119.914 0.155 0.000 3.660 3 V HA 0.279 4.412 4.120 0.021 0.000 0.276 3 V C -0.257 175.959 176.094 0.203 0.000 1.317 3 V CA -0.122 62.266 62.300 0.147 0.000 1.097 3 V CB -0.556 31.349 31.823 0.138 0.000 0.863 3 V HN 0.595 nan 8.190 nan 0.000 0.438 4 Y N 1.145 121.467 120.300 0.038 0.000 2.436 4 Y HA 0.674 5.222 4.550 -0.004 0.000 0.327 4 Y C -1.344 174.572 175.900 0.027 0.000 1.138 4 Y CA -0.985 57.128 58.100 0.023 0.000 1.042 4 Y CB 1.731 40.197 38.460 0.010 0.000 1.302 4 Y HN 0.145 nan 8.280 nan 0.000 0.439 5 N N 5.647 124.072 118.700 -0.458 0.000 2.747 5 N HA 0.269 5.021 4.740 0.021 0.000 0.262 5 N C -2.196 173.059 175.510 -0.424 0.000 1.261 5 N CA -0.369 52.506 53.050 -0.293 0.000 0.809 5 N CB 1.203 39.622 38.487 -0.112 0.000 1.450 5 N HN 0.806 nan 8.380 nan 0.000 0.560 6 K N 2.040 122.169 120.400 -0.452 0.000 2.557 6 K HA 0.254 4.587 4.320 0.021 0.000 0.261 6 K C -1.177 175.362 176.600 -0.101 0.000 0.932 6 K CA -0.328 55.767 56.287 -0.321 0.000 0.829 6 K CB 0.845 33.038 32.500 -0.513 0.000 1.358 6 K HN 0.277 nan 8.250 nan 0.000 0.430 7 D N 2.663 123.035 120.400 -0.047 0.000 2.701 7 D HA -0.201 4.452 4.640 0.021 0.000 0.235 7 D C 0.663 176.981 176.300 0.029 0.000 1.155 7 D CA 2.083 56.087 54.000 0.006 0.000 0.649 7 D CB -1.190 39.630 40.800 0.033 0.000 1.050 7 D HN 1.075 nan 8.370 nan 0.000 0.425 8 G N -0.163 108.647 108.800 0.018 0.000 2.179 8 G HA2 -0.363 3.610 3.960 0.021 0.000 0.260 8 G HA3 -0.363 3.610 3.960 0.021 0.000 0.260 8 G C 0.139 175.078 174.900 0.065 0.000 0.977 8 G CA 0.427 45.548 45.100 0.035 0.000 0.641 8 G HN 0.661 nan 8.290 nan 0.000 0.533 9 N N -0.019 118.739 118.700 0.097 0.000 2.321 9 N HA 0.573 5.326 4.740 0.021 0.000 0.299 9 N C -0.852 174.768 175.510 0.183 0.000 1.048 9 N CA -0.538 52.606 53.050 0.158 0.000 0.836 9 N CB 0.937 39.551 38.487 0.213 0.000 1.269 9 N HN 0.206 nan 8.380 nan 0.000 0.486 10 K N 2.124 122.630 120.400 0.177 0.000 2.378 10 K HA 0.489 4.822 4.320 0.021 0.000 0.252 10 K C -1.396 175.331 176.600 0.210 0.000 0.931 10 K CA -0.706 55.684 56.287 0.173 0.000 0.794 10 K CB 2.358 34.920 32.500 0.104 0.000 1.181 10 K HN 0.300 nan 8.250 nan 0.000 0.425 11 L N 2.084 123.450 121.223 0.239 0.000 2.381 11 L HA 0.382 4.735 4.340 0.021 0.000 0.274 11 L C -1.599 175.398 176.870 0.211 0.000 0.988 11 L CA -0.351 54.611 54.840 0.202 0.000 0.824 11 L CB 1.756 43.891 42.059 0.126 0.000 1.263 11 L HN 0.576 nan 8.230 nan 0.000 0.410 12 D N 4.019 124.565 120.400 0.243 0.000 2.349 12 D HA 0.380 5.033 4.640 0.021 0.000 0.232 12 D C -1.357 175.169 176.300 0.375 0.000 1.071 12 D CA -0.205 53.954 54.000 0.266 0.000 0.832 12 D CB 1.294 42.223 40.800 0.215 0.000 1.086 12 D HN 0.438 nan 8.370 nan 0.000 0.504 13 L N 6.335 127.771 121.223 0.355 0.000 2.280 13 L HA 0.483 4.836 4.340 0.021 0.000 0.287 13 L C -1.530 175.621 176.870 0.468 0.000 1.023 13 L CA -0.596 54.475 54.840 0.386 0.000 0.819 13 L CB 0.324 42.573 42.059 0.316 0.000 1.212 13 L HN 0.407 nan 8.230 nan 0.000 0.420 14 Y N 3.106 123.510 120.300 0.172 0.000 2.602 14 Y HA 1.032 5.594 4.550 0.019 0.000 0.342 14 Y C -0.057 175.498 175.900 -0.574 0.000 1.029 14 Y CA -0.698 57.270 58.100 -0.220 0.000 1.080 14 Y CB 1.636 40.000 38.460 -0.160 0.000 1.284 14 Y HN 0.776 nan 8.280 nan 0.000 0.485 15 G N 0.974 109.106 108.800 -1.113 0.000 2.342 15 G HA2 0.527 4.500 3.960 0.021 0.000 0.297 15 G HA3 0.527 4.500 3.960 0.021 0.000 0.297 15 G C -2.277 172.245 174.900 -0.631 0.000 1.313 15 G CA -1.010 43.611 45.100 -0.799 0.000 0.830 15 G HN 1.075 nan 8.290 nan 0.000 0.506 16 K N -1.660 118.598 120.400 -0.238 0.000 2.568 16 K HA 0.727 5.060 4.320 0.021 0.000 0.273 16 K C -1.690 174.891 176.600 -0.033 0.000 0.951 16 K CA -0.993 55.231 56.287 -0.105 0.000 0.854 16 K CB 2.226 34.663 32.500 -0.104 0.000 1.424 16 K HN 0.574 nan 8.250 nan 0.000 0.427 17 V N 1.526 121.457 119.914 0.029 0.000 2.448 17 V HA 0.337 4.470 4.120 0.021 0.000 0.295 17 V C -1.131 174.883 176.094 -0.132 0.000 1.025 17 V CA -0.476 61.795 62.300 -0.047 0.000 0.859 17 V CB 1.481 33.339 31.823 0.059 0.000 0.988 17 V HN 0.869 nan 8.190 nan 0.000 0.431 18 D N 3.947 124.134 120.400 -0.355 0.000 2.453 18 D HA 0.383 5.036 4.640 0.021 0.000 0.238 18 D C 0.374 176.521 176.300 -0.254 0.000 1.088 18 D CA -0.202 53.589 54.000 -0.349 0.000 0.854 18 D CB 1.753 42.151 40.800 -0.668 0.000 1.076 18 D HN 0.682 nan 8.370 nan 0.000 0.533 19 G N 3.278 111.999 108.800 -0.132 0.000 2.394 19 G HA2 0.428 4.401 3.960 0.021 0.000 0.298 19 G HA3 0.428 4.401 3.960 0.021 0.000 0.298 19 G C -0.628 174.230 174.900 -0.070 0.000 1.087 19 G CA -0.192 44.860 45.100 -0.081 0.000 1.035 19 G HN 0.406 nan 8.290 nan 0.000 0.420 20 L N 2.429 123.633 121.223 -0.033 0.000 2.408 20 L HA 0.707 5.059 4.340 0.021 0.000 0.268 20 L C -1.074 175.823 176.870 0.045 0.000 0.986 20 L CA -1.192 53.658 54.840 0.017 0.000 0.820 20 L CB 2.287 44.394 42.059 0.080 0.000 1.303 20 L HN 0.603 nan 8.230 nan 0.000 0.411 21 H N 2.932 121.995 119.070 -0.011 0.000 2.679 21 H HA 0.612 5.180 4.556 0.021 0.000 0.360 21 H C -1.627 173.692 175.328 -0.015 0.000 1.105 21 H CA -0.347 55.626 56.048 -0.125 0.000 1.196 21 H CB 1.227 30.831 29.762 -0.264 0.000 1.636 21 H HN 0.486 nan 8.280 nan 0.000 0.531 22 Y N 3.809 123.781 120.300 -0.546 0.000 2.361 22 Y HA 0.336 4.899 4.550 0.021 0.000 0.332 22 Y C -0.838 174.803 175.900 -0.432 0.000 1.101 22 Y CA -1.176 56.767 58.100 -0.262 0.000 1.137 22 Y CB 0.770 39.168 38.460 -0.103 0.000 1.207 22 Y HN 0.511 nan 8.280 nan 0.000 0.463 23 F N 1.374 121.485 119.950 0.268 0.000 2.427 23 F HA 0.570 5.110 4.527 0.022 0.000 0.348 23 F C 0.175 176.051 175.800 0.127 0.000 1.125 23 F CA -0.471 57.645 58.000 0.194 0.000 0.989 23 F CB 1.953 41.047 39.000 0.156 0.000 1.165 23 F HN 0.288 nan 8.300 nan 0.000 0.442 24 S N 1.403 117.251 115.700 0.247 0.000 2.537 24 S HA 0.266 4.749 4.470 0.021 0.000 0.271 24 S C -0.085 174.585 174.600 0.117 0.000 1.148 24 S CA -0.724 57.569 58.200 0.154 0.000 0.868 24 S CB 1.228 64.493 63.200 0.108 0.000 1.115 24 S HN 0.570 nan 8.310 nan 0.000 0.461 25 D N 1.616 122.067 120.400 0.086 0.000 2.264 25 D HA -0.015 4.638 4.640 0.021 0.000 0.208 25 D C 0.513 176.838 176.300 0.043 0.000 0.966 25 D CA 0.810 54.846 54.000 0.062 0.000 0.864 25 D CB -0.197 40.632 40.800 0.048 0.000 0.933 25 D HN 0.458 nan 8.370 nan 0.000 0.499 26 N N 1.710 120.431 118.700 0.036 0.000 2.402 26 N HA -0.048 4.705 4.740 0.021 0.000 0.259 26 N C 0.790 176.318 175.510 0.030 0.000 1.167 26 N CA -0.039 53.024 53.050 0.020 0.000 0.949 26 N CB 0.500 38.989 38.487 0.004 0.000 1.212 26 N HN -0.235 nan 8.380 nan 0.000 0.493 27 K N 1.971 122.384 120.400 0.022 0.000 2.442 27 K HA -0.058 4.275 4.320 0.021 0.000 0.198 27 K C 0.258 176.862 176.600 0.006 0.000 1.042 27 K CA 0.629 56.928 56.287 0.019 0.000 0.958 27 K CB 0.224 32.734 32.500 0.017 0.000 0.766 27 K HN 0.531 nan 8.250 nan 0.000 0.474 28 D N 0.118 120.518 120.400 0.001 0.000 2.269 28 D HA -0.105 4.548 4.640 0.021 0.000 0.208 28 D C 1.696 177.994 176.300 -0.004 0.000 0.963 28 D CA 0.766 54.760 54.000 -0.009 0.000 0.864 28 D CB 0.220 41.010 40.800 -0.017 0.000 0.936 28 D HN 0.177 nan 8.370 nan 0.000 0.505 29 V N -2.281 117.650 119.914 0.028 0.000 3.635 29 V HA 0.159 4.292 4.120 0.021 0.000 0.266 29 V C 0.442 176.588 176.094 0.086 0.000 1.316 29 V CA -0.342 62.008 62.300 0.083 0.000 1.060 29 V CB -0.005 31.930 31.823 0.187 0.000 0.820 29 V HN -0.212 nan 8.190 nan 0.000 0.447 30 D N 1.028 121.457 120.400 0.048 0.000 2.414 30 D HA 0.480 5.133 4.640 0.021 0.000 0.242 30 D C 0.607 176.828 176.300 -0.133 0.000 1.129 30 D CA 2.316 56.321 54.000 0.009 0.000 0.885 30 D CB 0.839 41.663 40.800 0.039 0.000 1.198 30 D HN 0.853 nan 8.370 nan 0.000 0.437 31 G N 2.925 111.515 108.800 -0.349 0.000 2.396 31 G HA2 -0.092 3.881 3.960 0.021 0.000 0.254 31 G HA3 -0.092 3.881 3.960 0.021 0.000 0.254 31 G C -0.871 173.518 174.900 -0.851 0.000 1.248 31 G CA -0.369 44.397 45.100 -0.556 0.000 1.033 31 G HN 0.737 nan 8.290 nan 0.000 0.502 32 D N 0.355 120.478 120.400 -0.463 0.000 2.417 32 D HA 0.460 5.113 4.640 0.021 0.000 0.250 32 D C 0.954 177.095 176.300 -0.264 0.000 1.166 32 D CA 0.466 54.305 54.000 -0.268 0.000 0.881 32 D CB 0.660 41.424 40.800 -0.060 0.000 1.164 32 D HN 0.355 nan 8.370 nan 0.000 0.467 33 Q N 2.377 122.027 119.800 -0.250 0.000 2.110 33 Q HA 0.103 4.456 4.340 0.021 0.000 0.232 33 Q C -0.327 175.652 176.000 -0.034 0.000 0.810 33 Q CA -0.195 55.464 55.803 -0.241 0.000 1.083 33 Q CB 0.685 29.097 28.738 -0.543 0.000 1.193 33 Q HN 0.482 nan 8.270 nan 0.000 0.471 34 T N 2.604 117.143 114.554 -0.025 0.000 2.905 34 T HA 0.100 4.463 4.350 0.021 0.000 0.299 34 T C -0.166 174.575 174.700 0.069 0.000 1.024 34 T CA 0.745 62.840 62.100 -0.007 0.000 1.151 34 T CB -0.204 68.647 68.868 -0.028 0.000 0.987 34 T HN 0.228 nan 8.240 nan 0.000 0.535 35 Y N 1.027 121.293 120.300 -0.058 0.000 2.655 35 Y HA 0.745 5.308 4.550 0.021 0.000 0.336 35 Y C -0.966 174.895 175.900 -0.066 0.000 1.154 35 Y CA -2.034 56.015 58.100 -0.086 0.000 1.055 35 Y CB 1.351 39.746 38.460 -0.110 0.000 1.295 35 Y HN 0.604 nan 8.280 nan 0.000 0.465 36 M N 1.043 120.669 119.600 0.044 0.000 2.572 36 M HA 0.757 5.249 4.480 0.021 0.000 0.299 36 M C -1.865 174.462 176.300 0.045 0.000 1.205 36 M CA -0.823 54.464 55.300 -0.022 0.000 0.876 36 M CB 2.848 35.441 32.600 -0.012 0.000 1.728 36 M HN 0.686 nan 8.290 nan 0.000 0.458 37 R N 1.396 121.898 120.500 0.004 0.000 2.750 37 R HA 0.907 5.260 4.340 0.021 0.000 0.281 37 R C -1.890 174.325 176.300 -0.142 0.000 0.972 37 R CA -1.030 55.026 56.100 -0.074 0.000 0.912 37 R CB 2.428 32.716 30.300 -0.020 0.000 1.187 37 R HN 0.816 nan 8.270 nan 0.000 0.464 38 L N 0.178 121.264 121.223 -0.228 0.000 2.445 38 L HA 0.790 5.143 4.340 0.021 0.000 0.262 38 L C -0.901 175.646 176.870 -0.538 0.000 0.974 38 L CA -0.060 54.618 54.840 -0.270 0.000 0.822 38 L CB 2.497 44.550 42.059 -0.010 0.000 1.339 38 L HN 0.809 nan 8.230 nan 0.000 0.409 39 G N 2.060 110.375 108.800 -0.807 0.000 2.649 39 G HA2 0.648 4.621 3.960 0.021 0.000 0.290 39 G HA3 0.648 4.621 3.960 0.021 0.000 0.290 39 G C -1.955 172.706 174.900 -0.398 0.000 1.426 39 G CA -0.441 44.150 45.100 -0.849 0.000 0.794 39 G HN 0.737 nan 8.290 nan 0.000 0.483 40 F N -1.244 118.755 119.950 0.082 0.000 2.599 40 F HA 0.875 5.419 4.527 0.028 0.000 0.311 40 F C -0.803 175.202 175.800 0.342 0.000 1.076 40 F CA -1.320 56.836 58.000 0.260 0.000 0.937 40 F CB 2.278 41.396 39.000 0.196 0.000 1.282 40 F HN 0.300 nan 8.300 nan 0.000 0.460 41 K N 2.141 122.868 120.400 0.546 0.000 2.579 41 K HA 0.613 4.946 4.320 0.021 0.000 0.250 41 K C -0.631 176.177 176.600 0.347 0.000 0.952 41 K CA -0.865 55.624 56.287 0.337 0.000 0.857 41 K CB 2.159 34.761 32.500 0.171 0.000 1.123 41 K HN 1.026 nan 8.250 nan 0.000 0.433 42 G N 1.802 110.818 108.800 0.360 0.000 2.448 42 G HA2 0.494 4.466 3.960 0.021 0.000 0.324 42 G HA3 0.494 4.466 3.960 0.021 0.000 0.324 42 G C -1.359 173.682 174.900 0.235 0.000 1.203 42 G CA -0.274 44.984 45.100 0.264 0.000 0.954 42 G HN 0.548 nan 8.290 nan 0.000 0.480 43 E N -0.173 120.141 120.200 0.189 0.000 2.321 43 E HA 0.531 4.894 4.350 0.021 0.000 0.278 43 E C -1.600 175.087 176.600 0.146 0.000 0.902 43 E CA -0.643 55.869 56.400 0.187 0.000 0.758 43 E CB 2.468 32.258 29.700 0.151 0.000 1.213 43 E HN 0.427 nan 8.360 nan 0.000 0.426 44 T N 2.681 117.320 114.554 0.140 0.000 2.841 44 T HA 0.194 4.557 4.350 0.021 0.000 0.285 44 T C -1.116 173.640 174.700 0.094 0.000 0.991 44 T CA -0.529 61.635 62.100 0.107 0.000 0.966 44 T CB 1.445 70.370 68.868 0.096 0.000 0.962 44 T HN 0.509 nan 8.240 nan 0.000 0.438 45 Q N 4.532 124.374 119.800 0.070 0.000 2.307 45 Q HA 0.328 4.681 4.340 0.021 0.000 0.259 45 Q C 0.292 176.320 176.000 0.047 0.000 0.998 45 Q CA -0.413 55.420 55.803 0.050 0.000 0.923 45 Q CB 0.846 29.602 28.738 0.030 0.000 1.196 45 Q HN 0.660 nan 8.270 nan 0.000 0.416 46 V N 2.960 122.904 119.914 0.050 0.000 2.374 46 V HA 0.006 4.139 4.120 0.021 0.000 0.241 46 V C 1.111 177.228 176.094 0.038 0.000 1.034 46 V CA 1.690 64.021 62.300 0.052 0.000 1.037 46 V CB 0.296 32.161 31.823 0.070 0.000 0.682 46 V HN 0.956 nan 8.190 nan 0.000 0.463 47 T N -3.985 110.583 114.554 0.022 0.000 2.773 47 T HA 0.319 4.681 4.350 0.021 0.000 0.278 47 T C 0.431 175.110 174.700 -0.035 0.000 1.011 47 T CA -0.321 61.780 62.100 0.002 0.000 1.014 47 T CB 1.535 70.409 68.868 0.011 0.000 1.293 47 T HN 0.000 nan 8.240 nan 0.000 0.554 48 D N 0.013 120.387 120.400 -0.043 0.000 2.221 48 D HA -0.032 4.621 4.640 0.021 0.000 0.204 48 D C 1.823 178.044 176.300 -0.130 0.000 0.982 48 D CA 1.444 55.407 54.000 -0.062 0.000 0.857 48 D CB -0.009 40.765 40.800 -0.043 0.000 0.934 48 D HN 0.489 nan 8.370 nan 0.000 0.475 49 Q N -0.908 118.751 119.800 -0.234 0.000 2.396 49 Q HA 0.226 4.579 4.340 0.021 0.000 0.220 49 Q C 0.013 175.665 176.000 -0.580 0.000 0.900 49 Q CA -0.028 55.473 55.803 -0.504 0.000 0.925 49 Q CB 0.659 28.873 28.738 -0.873 0.000 1.065 49 Q HN 0.135 nan 8.270 nan 0.000 0.535 50 L N 1.405 122.439 121.223 -0.315 0.000 2.287 50 L HA 0.550 4.903 4.340 0.021 0.000 0.287 50 L C -0.752 176.130 176.870 0.020 0.000 1.022 50 L CA -0.178 54.611 54.840 -0.086 0.000 0.814 50 L CB 1.457 43.578 42.059 0.103 0.000 1.217 50 L HN 0.106 nan 8.230 nan 0.000 0.420 51 T N 1.470 116.075 114.554 0.084 0.000 2.863 51 T HA 0.867 5.230 4.350 0.021 0.000 0.285 51 T C -0.010 174.814 174.700 0.206 0.000 1.009 51 T CA -0.474 61.705 62.100 0.132 0.000 0.989 51 T CB 1.627 70.573 68.868 0.130 0.000 1.004 51 T HN 0.828 nan 8.240 nan 0.000 0.455 52 G N 1.382 110.291 108.800 0.182 0.000 2.400 52 G HA2 0.681 4.654 3.960 0.021 0.000 0.333 52 G HA3 0.681 4.654 3.960 0.021 0.000 0.333 52 G C -1.400 173.645 174.900 0.242 0.000 1.143 52 G CA -1.080 44.109 45.100 0.149 0.000 0.914 52 G HN 0.955 nan 8.290 nan 0.000 0.480 53 Y N -1.085 119.294 120.300 0.132 0.000 2.597 53 Y HA 0.822 5.384 4.550 0.019 0.000 0.340 53 Y C -0.065 175.914 175.900 0.131 0.000 1.097 53 Y CA -1.560 56.618 58.100 0.131 0.000 1.037 53 Y CB 1.482 40.022 38.460 0.134 0.000 1.305 53 Y HN 0.857 nan 8.280 nan 0.000 0.463 54 G N 1.000 109.968 108.800 0.280 0.000 2.682 54 G HA2 0.540 4.513 3.960 0.021 0.000 0.300 54 G HA3 0.540 4.513 3.960 0.021 0.000 0.300 54 G C -2.401 172.529 174.900 0.051 0.000 1.391 54 G CA -0.970 44.216 45.100 0.144 0.000 0.990 54 G HN 0.857 nan 8.290 nan 0.000 0.501 55 Q N 0.211 119.781 119.800 -0.384 0.000 2.345 55 Q HA 0.589 4.942 4.340 0.021 0.000 0.275 55 Q C -2.224 173.424 176.000 -0.586 0.000 1.063 55 Q CA -0.978 54.502 55.803 -0.538 0.000 0.819 55 Q CB 2.846 31.198 28.738 -0.644 0.000 1.356 55 Q HN 0.633 nan 8.270 nan 0.000 0.418 56 W N 3.055 123.841 121.300 -0.857 0.000 3.129 56 W HA 0.552 5.225 4.660 0.021 0.000 0.333 56 W C -1.869 174.397 176.519 -0.422 0.000 1.141 56 W CA -0.277 56.668 57.345 -0.668 0.000 1.224 56 W CB 1.691 30.587 29.460 -0.940 0.000 1.393 56 W HN 0.702 nan 8.180 nan 0.000 0.499 57 E N 4.462 124.118 120.200 -0.906 0.000 2.321 57 E HA 0.338 4.701 4.350 0.021 0.000 0.278 57 E C -2.347 173.731 176.600 -0.871 0.000 0.902 57 E CA -0.818 55.106 56.400 -0.794 0.000 0.758 57 E CB 2.138 31.692 29.700 -0.244 0.000 1.213 57 E HN 0.442 nan 8.360 nan 0.000 0.426 58 Y N 2.216 121.909 120.300 -1.012 0.000 2.442 58 Y HA 0.307 4.870 4.550 0.023 0.000 0.344 58 Y C -1.189 174.388 175.900 -0.539 0.000 0.976 58 Y CA -0.566 57.067 58.100 -0.777 0.000 1.040 58 Y CB 2.094 40.016 38.460 -0.896 0.000 1.228 58 Y HN 0.547 nan 8.280 nan 0.000 0.451 59 Q N 5.371 124.586 119.800 -0.974 0.000 2.316 59 Q HA 0.716 5.069 4.340 0.021 0.000 0.264 59 Q C -1.823 173.531 176.000 -1.077 0.000 0.987 59 Q CA -0.619 54.627 55.803 -0.928 0.000 0.852 59 Q CB 1.252 29.331 28.738 -1.099 0.000 1.287 59 Q HN 0.752 nan 8.270 nan 0.000 0.448 60 I N 3.654 123.882 120.570 -0.571 0.000 2.447 60 I HA 0.228 4.411 4.170 0.021 0.000 0.287 60 I C -0.407 175.561 176.117 -0.249 0.000 1.023 60 I CA -1.032 60.032 61.300 -0.392 0.000 1.083 60 I CB 1.840 39.763 38.000 -0.129 0.000 1.245 60 I HN 0.511 nan 8.210 nan 0.000 0.434 61 Q N 3.862 123.514 119.800 -0.248 0.000 2.364 61 Q HA 0.181 4.534 4.340 0.021 0.000 0.267 61 Q C 0.887 176.865 176.000 -0.036 0.000 0.999 61 Q CA 0.142 55.887 55.803 -0.095 0.000 0.886 61 Q CB 1.360 30.069 28.738 -0.047 0.000 1.243 61 Q HN 0.931 nan 8.270 nan 0.000 0.415 62 G N 1.702 110.501 108.800 -0.002 0.000 3.453 62 G HA2 -0.059 3.914 3.960 0.021 0.000 0.263 62 G HA3 -0.059 3.914 3.960 0.021 0.000 0.263 62 G C 0.509 175.403 174.900 -0.009 0.000 1.060 62 G CA -0.217 44.879 45.100 -0.008 0.000 0.793 62 G HN 0.598 nan 8.290 nan 0.000 0.532 63 N N 0.386 119.080 118.700 -0.011 0.000 2.205 63 N HA 0.045 4.798 4.740 0.021 0.000 0.201 63 N C 0.731 176.230 175.510 -0.018 0.000 1.128 63 N CA 0.137 53.173 53.050 -0.022 0.000 0.867 63 N CB 0.178 38.637 38.487 -0.046 0.000 0.996 63 N HN 0.172 nan 8.380 nan 0.000 0.503 64 S N -0.501 115.193 115.700 -0.010 0.000 2.687 64 S HA 0.813 5.295 4.470 0.021 0.000 0.283 64 S C 0.328 174.927 174.600 -0.002 0.000 1.170 64 S CA -0.615 57.583 58.200 -0.005 0.000 1.008 64 S CB 1.652 64.854 63.200 0.003 0.000 1.026 64 S HN 0.373 nan 8.310 nan 0.000 0.541 65 A N 0.557 123.377 122.820 0.000 0.000 2.327 65 A HA 0.367 4.700 4.320 0.021 0.000 0.255 65 A C 0.921 178.508 177.584 0.005 0.000 1.099 65 A CA -0.426 51.612 52.037 0.002 0.000 0.801 65 A CB -0.311 18.691 19.000 0.003 0.000 1.062 65 A HN 0.979 nan 8.150 nan 0.000 0.496 66 E N 0.178 120.381 120.200 0.006 0.000 2.427 66 E HA -0.129 4.233 4.350 0.021 0.000 0.196 66 E C 0.615 177.221 176.600 0.010 0.000 1.028 66 E CA 0.754 57.159 56.400 0.008 0.000 0.864 66 E CB -0.046 29.658 29.700 0.006 0.000 0.813 66 E HN 0.740 nan 8.360 nan 0.000 0.514 67 N N 1.347 120.052 118.700 0.009 0.000 2.383 67 N HA -0.087 4.666 4.740 0.021 0.000 0.192 67 N C -0.064 175.454 175.510 0.014 0.000 1.141 67 N CA 0.279 53.336 53.050 0.011 0.000 0.851 67 N CB 0.008 38.500 38.487 0.009 0.000 0.976 67 N HN 0.285 nan 8.380 nan 0.000 0.465 68 E N -1.029 119.181 120.200 0.015 0.000 2.408 68 E HA 0.455 4.818 4.350 0.021 0.000 0.275 68 E C -1.713 174.901 176.600 0.024 0.000 0.935 68 E CA -1.065 55.347 56.400 0.020 0.000 0.775 68 E CB 1.183 30.894 29.700 0.018 0.000 1.277 68 E HN -0.024 nan 8.360 nan 0.000 0.455 69 N N 1.097 119.816 118.700 0.033 0.000 2.454 69 N HA 0.282 5.035 4.740 0.021 0.000 0.291 69 N C -1.889 173.651 175.510 0.049 0.000 1.079 69 N CA -0.549 52.523 53.050 0.037 0.000 0.893 69 N CB 1.326 39.842 38.487 0.049 0.000 1.512 69 N HN 0.457 nan 8.380 nan 0.000 0.497 70 N N 1.740 120.464 118.700 0.040 0.000 2.518 70 N HA 0.378 5.131 4.740 0.021 0.000 0.254 70 N C -1.375 174.130 175.510 -0.009 0.000 0.979 70 N CA -0.328 52.776 53.050 0.091 0.000 0.930 70 N CB 1.357 39.921 38.487 0.129 0.000 1.152 70 N HN 0.661 nan 8.380 nan 0.000 0.505 71 S N 0.553 116.257 115.700 0.006 0.000 2.579 71 S HA 0.849 5.331 4.470 0.021 0.000 0.272 71 S C -1.430 173.086 174.600 -0.140 0.000 1.141 71 S CA -0.975 57.012 58.200 -0.355 0.000 0.843 71 S CB 1.797 64.824 63.200 -0.288 0.000 1.122 71 S HN 0.581 nan 8.310 nan 0.000 0.468 72 W N -1.080 119.851 121.300 -0.615 0.000 3.153 72 W HA 0.656 5.329 4.660 0.023 0.000 0.316 72 W C -1.602 174.615 176.519 -0.504 0.000 1.255 72 W CA -0.902 56.201 57.345 -0.403 0.000 1.192 72 W CB 0.351 29.672 29.460 -0.232 0.000 1.400 72 W HN 0.548 nan 8.180 nan 0.000 0.568 73 T N 2.750 117.405 114.554 0.168 0.000 2.749 73 T HA 0.245 4.608 4.350 0.021 0.000 0.295 73 T C 1.012 175.776 174.700 0.107 0.000 0.936 73 T CA -0.360 61.844 62.100 0.172 0.000 1.060 73 T CB 1.083 70.134 68.868 0.305 0.000 0.904 73 T HN 0.484 nan 8.240 nan 0.000 0.500 74 R N 1.933 122.417 120.500 -0.026 0.000 2.052 74 R HA 0.175 4.528 4.340 0.021 0.000 0.224 74 R C 0.925 177.187 176.300 -0.063 0.000 1.149 74 R CA 0.684 56.774 56.100 -0.017 0.000 0.962 74 R CB 0.117 30.390 30.300 -0.045 0.000 0.856 74 R HN 0.600 nan 8.270 nan 0.000 0.433 75 V N -4.066 115.812 119.914 -0.059 0.000 3.078 75 V HA 0.892 5.025 4.120 0.021 0.000 0.311 75 V C -1.568 174.567 176.094 0.068 0.000 1.138 75 V CA -1.094 61.243 62.300 0.063 0.000 1.007 75 V CB 2.077 34.042 31.823 0.237 0.000 1.045 75 V HN 0.110 nan 8.190 nan 0.000 0.432 76 A N 3.502 126.443 122.820 0.201 0.000 2.538 76 A HA 0.811 5.144 4.320 0.021 0.000 0.293 76 A C -1.118 176.597 177.584 0.218 0.000 1.065 76 A CA -0.246 51.905 52.037 0.190 0.000 0.936 76 A CB 0.341 19.523 19.000 0.305 0.000 1.481 76 A HN 2.212 nan 8.150 nan 0.000 0.394 77 F N -0.162 119.847 119.950 0.098 0.000 2.686 77 F HA 0.956 5.498 4.527 0.024 0.000 0.311 77 F C -0.275 175.583 175.800 0.096 0.000 1.128 77 F CA -0.802 57.240 58.000 0.070 0.000 0.946 77 F CB 1.295 40.319 39.000 0.040 0.000 1.336 77 F HN 0.925 nan 8.300 nan 0.000 0.457 78 A N 0.661 123.651 122.820 0.283 0.000 2.435 78 A HA 1.007 5.340 4.320 0.021 0.000 0.304 78 A C -0.581 176.999 177.584 -0.008 0.000 1.064 78 A CA -0.371 51.727 52.037 0.102 0.000 0.727 78 A CB 1.421 20.477 19.000 0.093 0.000 1.284 78 A HN 1.908 nan 8.150 nan 0.000 0.415 79 G N -0.518 108.024 108.800 -0.430 0.000 2.608 79 G HA2 0.604 4.577 3.960 0.021 0.000 0.291 79 G HA3 0.604 4.577 3.960 0.021 0.000 0.291 79 G C -1.889 172.617 174.900 -0.656 0.000 1.425 79 G CA -0.604 44.117 45.100 -0.632 0.000 0.787 79 G HN 0.792 nan 8.290 nan 0.000 0.484 80 L N 0.036 121.157 121.223 -0.169 0.000 2.401 80 L HA 0.677 5.030 4.340 0.021 0.000 0.266 80 L C -0.339 176.737 176.870 0.343 0.000 0.991 80 L CA -0.840 54.065 54.840 0.107 0.000 0.818 80 L CB 2.714 44.879 42.059 0.176 0.000 1.321 80 L HN 0.498 nan 8.230 nan 0.000 0.413 81 K N 2.302 122.933 120.400 0.384 0.000 2.426 81 K HA 0.507 4.840 4.320 0.021 0.000 0.254 81 K C -1.939 174.821 176.600 0.266 0.000 0.936 81 K CA -0.467 56.017 56.287 0.329 0.000 0.801 81 K CB 1.825 34.489 32.500 0.274 0.000 1.139 81 K HN 0.434 nan 8.250 nan 0.000 0.424 82 F N 3.566 123.588 119.950 0.121 0.000 2.449 82 F HA 0.244 4.784 4.527 0.023 0.000 0.342 82 F C 0.121 175.963 175.800 0.072 0.000 1.127 82 F CA -0.562 57.496 58.000 0.097 0.000 0.975 82 F CB 1.678 40.741 39.000 0.105 0.000 1.146 82 F HN 0.545 nan 8.300 nan 0.000 0.444 83 Q N 5.105 124.816 119.800 -0.149 0.000 2.436 83 Q HA -0.078 4.274 4.340 0.021 0.000 0.326 83 Q C -0.011 176.082 176.000 0.154 0.000 1.079 83 Q CA 1.279 57.056 55.803 -0.043 0.000 1.049 83 Q CB 0.143 28.784 28.738 -0.161 0.000 1.047 83 Q HN 0.792 nan 8.270 nan 0.000 0.386 84 D N 1.481 121.960 120.400 0.132 0.000 3.046 84 D HA -0.198 4.455 4.640 0.021 0.000 0.210 84 D C 0.166 176.629 176.300 0.272 0.000 1.124 84 D CA 1.132 55.236 54.000 0.175 0.000 0.986 84 D CB -1.119 39.795 40.800 0.189 0.000 1.118 84 D HN 0.372 nan 8.370 nan 0.000 0.416 85 V N -1.503 118.590 119.914 0.298 0.000 2.996 85 V HA 0.603 4.736 4.120 0.021 0.000 0.235 85 V C 1.321 177.532 176.094 0.195 0.000 1.205 85 V CA 1.112 63.609 62.300 0.330 0.000 1.225 85 V CB 1.130 33.134 31.823 0.301 0.000 0.995 85 V HN 0.530 nan 8.190 nan 0.000 0.484 86 G N 0.296 109.185 108.800 0.149 0.000 2.369 86 G HA2 0.366 4.339 3.960 0.021 0.000 0.293 86 G HA3 0.366 4.339 3.960 0.021 0.000 0.293 86 G C -0.939 173.999 174.900 0.064 0.000 1.301 86 G CA -0.003 45.072 45.100 -0.041 0.000 0.913 86 G HN 0.694 nan 8.290 nan 0.000 0.540 87 S N -1.286 114.362 115.700 -0.087 0.000 2.566 87 S HA 0.862 5.345 4.470 0.021 0.000 0.298 87 S C -1.245 173.490 174.600 0.225 0.000 1.083 87 S CA -0.743 57.534 58.200 0.128 0.000 0.978 87 S CB 2.384 65.650 63.200 0.110 0.000 1.073 87 S HN 1.785 nan 8.310 nan 0.000 0.491 88 F N 1.907 121.970 119.950 0.189 0.000 2.539 88 F HA 0.632 5.171 4.527 0.021 0.000 0.318 88 F C -1.690 174.206 175.800 0.160 0.000 1.135 88 F CA -0.533 57.580 58.000 0.188 0.000 0.915 88 F CB 1.561 40.678 39.000 0.194 0.000 1.176 88 F HN 0.902 nan 8.300 nan 0.000 0.440 89 D N 3.553 123.546 120.400 -0.679 0.000 2.581 89 D HA 0.434 5.087 4.640 0.021 0.000 0.232 89 D C -1.988 173.982 176.300 -0.551 0.000 1.143 89 D CA -0.618 53.120 54.000 -0.437 0.000 0.881 89 D CB 2.057 42.849 40.800 -0.013 0.000 1.500 89 D HN 0.449 nan 8.370 nan 0.000 0.458 90 Y N -0.051 120.107 120.300 -0.236 0.000 2.470 90 Y HA 0.647 5.209 4.550 0.021 0.000 0.341 90 Y C -0.104 175.866 175.900 0.116 0.000 1.021 90 Y CA 0.224 58.285 58.100 -0.064 0.000 1.025 90 Y CB 1.881 40.372 38.460 0.052 0.000 1.266 90 Y HN 0.982 nan 8.280 nan 0.000 0.448 91 G N 4.174 112.523 108.800 -0.753 0.000 2.350 91 G HA2 0.093 4.065 3.960 0.021 0.000 0.276 91 G HA3 0.093 4.065 3.960 0.021 0.000 0.276 91 G C -1.832 172.924 174.900 -0.238 0.000 1.313 91 G CA -1.293 43.588 45.100 -0.365 0.000 0.903 91 G HN 0.730 nan 8.290 nan 0.000 0.490 92 R N 0.829 121.316 120.500 -0.021 0.000 2.316 92 R HA 0.518 4.871 4.340 0.021 0.000 0.314 92 R C -0.362 176.022 176.300 0.141 0.000 1.069 92 R CA -0.126 55.989 56.100 0.026 0.000 0.959 92 R CB 0.202 30.523 30.300 0.035 0.000 0.987 92 R HN 0.599 nan 8.270 nan 0.000 0.446 93 N N 2.481 121.263 118.700 0.137 0.000 3.344 93 N HA 0.203 4.956 4.740 0.021 0.000 0.296 93 N C -1.797 173.649 175.510 -0.107 0.000 1.571 93 N CA -0.666 52.387 53.050 0.005 0.000 0.844 93 N CB 0.658 39.007 38.487 -0.231 0.000 1.718 93 N HN 0.312 nan 8.380 nan 0.000 0.589 94 Y N 0.362 120.533 120.300 -0.215 0.000 2.304 94 Y HA 0.451 5.014 4.550 0.021 0.000 0.328 94 Y C 1.485 176.979 175.900 -0.676 0.000 1.123 94 Y CA -0.101 57.812 58.100 -0.312 0.000 1.218 94 Y CB 0.889 39.226 38.460 -0.205 0.000 1.207 94 Y HN 0.487 nan 8.280 nan 0.000 0.495 95 G N 0.959 109.401 108.800 -0.597 0.000 2.554 95 G HA2 0.242 4.214 3.960 0.021 0.000 0.238 95 G HA3 0.242 4.214 3.960 0.021 0.000 0.238 95 G C 0.944 175.643 174.900 -0.335 0.000 1.259 95 G CA -0.170 44.488 45.100 -0.737 0.000 0.843 95 G HN 0.798 nan 8.290 nan 0.000 0.582 96 V N 0.796 120.526 119.914 -0.307 0.000 3.078 96 V HA -0.103 4.030 4.120 0.021 0.000 0.265 96 V C 2.447 178.450 176.094 -0.152 0.000 1.122 96 V CA 1.323 63.510 62.300 -0.189 0.000 1.141 96 V CB -0.727 31.014 31.823 -0.136 0.000 0.735 96 V HN 0.410 nan 8.190 nan 0.000 0.498 97 V N -0.209 119.622 119.914 -0.139 0.000 2.407 97 V HA -0.259 3.874 4.120 0.021 0.000 0.248 97 V C 2.403 178.393 176.094 -0.173 0.000 1.055 97 V CA 2.534 64.746 62.300 -0.146 0.000 1.049 97 V CB -1.108 30.633 31.823 -0.137 0.000 0.662 97 V HN 0.658 nan 8.190 nan 0.000 0.455 98 Y N 1.581 121.713 120.300 -0.280 0.000 2.403 98 Y HA -0.213 4.350 4.550 0.021 0.000 0.291 98 Y C 2.130 177.840 175.900 -0.316 0.000 1.143 98 Y CA 1.265 59.195 58.100 -0.283 0.000 1.257 98 Y CB -0.430 37.930 38.460 -0.167 0.000 0.984 98 Y HN 0.378 nan 8.280 nan 0.000 0.550 99 D N -0.821 119.388 120.400 -0.319 0.000 2.158 99 D HA -0.196 4.457 4.640 0.021 0.000 0.197 99 D C 2.218 178.068 176.300 -0.750 0.000 0.995 99 D CA 1.839 55.568 54.000 -0.451 0.000 0.846 99 D CB -0.274 40.334 40.800 -0.320 0.000 0.941 99 D HN 0.316 nan 8.370 nan 0.000 0.456 100 V N 0.298 119.818 119.914 -0.657 0.000 2.492 100 V HA -0.097 4.036 4.120 0.021 0.000 0.241 100 V C 2.536 178.309 176.094 -0.534 0.000 1.041 100 V CA 1.681 63.509 62.300 -0.787 0.000 1.057 100 V CB -0.604 30.953 31.823 -0.445 0.000 0.711 100 V HN 0.301 nan 8.190 nan 0.000 0.468 101 T N -0.583 113.750 114.554 -0.368 0.000 2.962 101 T HA -0.147 4.216 4.350 0.021 0.000 0.270 101 T C 1.921 176.489 174.700 -0.221 0.000 1.088 101 T CA 1.437 63.423 62.100 -0.190 0.000 1.127 101 T CB -0.498 68.273 68.868 -0.162 0.000 0.883 101 T HN 0.567 nan 8.240 nan 0.000 0.493 102 S N -0.175 115.125 115.700 -0.667 0.000 2.447 102 S HA -0.091 4.392 4.470 0.021 0.000 0.233 102 S C 1.618 176.128 174.600 -0.151 0.000 1.006 102 S CA 0.202 57.923 58.200 -0.797 0.000 0.957 102 S CB -0.943 61.360 63.200 -1.495 0.000 0.773 102 S HN 0.620 nan 8.310 nan 0.000 0.507 103 W N 3.142 124.328 121.300 -0.189 0.000 2.392 103 W HA 0.030 4.702 4.660 0.021 0.000 0.279 103 W C 2.441 179.010 176.519 0.083 0.000 1.225 103 W CA 1.457 58.791 57.345 -0.020 0.000 1.233 103 W CB -1.385 28.064 29.460 -0.019 0.000 1.122 103 W HN 0.621 nan 8.180 nan 0.000 0.561 104 T N -3.864 110.837 114.554 0.245 0.000 3.069 104 T HA 0.011 4.374 4.350 0.021 0.000 0.252 104 T C 0.462 175.240 174.700 0.131 0.000 1.053 104 T CA 0.091 62.295 62.100 0.173 0.000 0.964 104 T CB 0.051 68.974 68.868 0.091 0.000 1.005 104 T HN -0.214 nan 8.240 nan 0.000 0.532 105 D N 2.508 122.981 120.400 0.123 0.000 2.896 105 D HA 0.195 4.848 4.640 0.021 0.000 0.240 105 D C 0.962 177.303 176.300 0.068 0.000 1.193 105 D CA -0.344 53.735 54.000 0.132 0.000 0.983 105 D CB 0.045 40.985 40.800 0.234 0.000 1.074 105 D HN 0.366 nan 8.370 nan 0.000 0.496 106 V N -0.729 119.205 119.914 0.032 0.000 3.199 106 V HA 0.346 4.479 4.120 0.021 0.000 0.331 106 V C 0.491 176.560 176.094 -0.042 0.000 1.446 106 V CA -0.538 61.732 62.300 -0.050 0.000 1.120 106 V CB -0.744 30.974 31.823 -0.175 0.000 1.051 106 V HN 0.050 nan 8.190 nan 0.000 0.495 107 L N 0.521 121.743 121.223 -0.001 0.000 2.453 107 L HA 0.391 4.743 4.340 0.021 0.000 0.261 107 L C -0.887 175.911 176.870 -0.121 0.000 1.179 107 L CA -1.453 53.383 54.840 -0.007 0.000 0.813 107 L CB 0.245 42.350 42.059 0.077 0.000 1.110 107 L HN 0.016 nan 8.230 nan 0.000 0.466 108 P HA -0.192 nan 4.420 nan 0.000 0.216 108 P C 0.840 177.678 177.300 -0.769 0.000 1.153 108 P CA 1.266 64.064 63.100 -0.504 0.000 0.858 108 P CB 0.389 31.855 31.700 -0.389 0.000 0.789 109 E N -3.303 116.585 120.200 -0.520 0.000 2.684 109 E HA 0.156 4.519 4.350 0.021 0.000 0.204 109 E C 0.633 176.944 176.600 -0.482 0.000 0.900 109 E CA 0.133 56.200 56.400 -0.554 0.000 1.481 109 E CB -0.276 29.011 29.700 -0.689 0.000 1.468 109 E HN -0.080 nan 8.360 nan 0.000 0.778 110 F N 0.692 120.639 119.950 -0.005 0.000 2.282 110 F HA 0.684 5.225 4.527 0.022 0.000 0.289 110 F C 1.453 177.296 175.800 0.072 0.000 0.959 110 F CA 0.304 58.311 58.000 0.012 0.000 1.129 110 F CB -0.285 38.680 39.000 -0.058 0.000 1.864 110 F HN 0.160 nan 8.300 nan 0.000 0.569 111 G N -1.088 107.950 108.800 0.397 0.000 2.756 111 G HA2 0.385 4.358 3.960 0.021 0.000 0.678 111 G HA3 0.385 4.358 3.960 0.021 0.000 0.678 111 G C 0.432 175.402 174.900 0.117 0.000 1.349 111 G CA -0.248 45.000 45.100 0.245 0.000 0.847 111 G HN 1.865 nan 8.290 nan 0.000 0.548 112 G N -0.716 108.108 108.800 0.040 0.000 2.283 112 G HA2 0.040 4.012 3.960 0.021 0.000 0.280 112 G HA3 0.040 4.012 3.960 0.021 0.000 0.280 112 G C 0.545 175.146 174.900 -0.499 0.000 1.029 112 G CA 1.396 46.442 45.100 -0.090 0.000 0.840 112 G HN 2.275 nan 8.290 nan 0.000 0.505 113 D N -1.131 119.065 120.400 -0.340 0.000 2.599 113 D HA 0.079 4.731 4.640 0.021 0.000 0.249 113 D C 1.631 177.788 176.300 -0.238 0.000 1.313 113 D CA 0.653 54.468 54.000 -0.308 0.000 0.815 113 D CB -0.803 39.958 40.800 -0.064 0.000 1.077 113 D HN 0.439 nan 8.370 nan 0.000 0.492 114 T N -2.208 112.188 114.554 -0.262 0.000 3.118 114 T HA 0.066 4.428 4.350 0.021 0.000 0.260 114 T C 0.537 175.271 174.700 0.056 0.000 1.139 114 T CA 0.411 62.480 62.100 -0.052 0.000 1.085 114 T CB -0.764 68.134 68.868 0.050 0.000 0.934 114 T HN 0.381 nan 8.240 nan 0.000 0.518 115 Y N -1.696 118.637 120.300 0.055 0.000 2.677 115 Y HA 0.845 5.407 4.550 0.021 0.000 0.334 115 Y C 0.137 176.060 175.900 0.038 0.000 1.154 115 Y CA -1.787 56.350 58.100 0.061 0.000 1.070 115 Y CB 0.917 39.425 38.460 0.080 0.000 1.294 115 Y HN 0.086 nan 8.280 nan 0.000 0.475 116 G N -0.242 108.680 108.800 0.204 0.000 3.022 116 G HA2 0.533 4.506 3.960 0.021 0.000 0.284 116 G HA3 0.533 4.506 3.960 0.021 0.000 0.284 116 G C -1.506 173.451 174.900 0.094 0.000 1.375 116 G CA -1.253 43.886 45.100 0.066 0.000 0.902 116 G HN 0.648 nan 8.290 nan 0.000 0.538 117 S N 0.261 115.944 115.700 -0.028 0.000 2.601 117 S HA 0.368 4.851 4.470 0.021 0.000 0.271 117 S C -0.270 174.270 174.600 -0.099 0.000 1.305 117 S CA -0.120 58.031 58.200 -0.081 0.000 1.022 117 S CB 0.714 63.815 63.200 -0.166 0.000 0.940 117 S HN 0.599 nan 8.310 nan 0.000 0.525 118 D N 1.631 121.966 120.400 -0.109 0.000 2.689 118 D HA -0.193 4.460 4.640 0.021 0.000 0.237 118 D C -0.274 175.925 176.300 -0.168 0.000 1.148 118 D CA 0.686 54.597 54.000 -0.149 0.000 0.656 118 D CB -1.207 39.488 40.800 -0.175 0.000 1.050 118 D HN 0.679 nan 8.370 nan 0.000 0.426 119 N N 0.406 119.047 118.700 -0.098 0.000 2.791 119 N HA 0.229 4.982 4.740 0.021 0.000 0.265 119 N C 0.400 175.950 175.510 0.068 0.000 1.580 119 N CA -0.466 52.558 53.050 -0.044 0.000 0.809 119 N CB 0.444 38.994 38.487 0.106 0.000 1.178 119 N HN -0.067 nan 8.380 nan 0.000 0.499 120 F N 0.005 119.981 119.950 0.042 0.000 2.169 120 F HA -0.406 4.134 4.527 0.022 0.000 0.314 120 F C 1.293 177.150 175.800 0.095 0.000 0.318 120 F CA 1.185 59.195 58.000 0.016 0.000 0.904 120 F CB -0.581 38.410 39.000 -0.015 0.000 4.078 120 F HN 0.300 nan 8.300 nan 0.000 0.173 121 M N 0.344 120.132 119.600 0.313 0.000 2.551 121 M HA 0.126 4.619 4.480 0.021 0.000 0.252 121 M C 0.987 177.339 176.300 0.087 0.000 1.219 121 M CA 0.324 55.781 55.300 0.262 0.000 0.978 121 M CB 0.110 32.816 32.600 0.178 0.000 1.533 121 M HN 0.447 nan 8.290 nan 0.000 0.474 122 Q N 0.034 119.889 119.800 0.091 0.000 2.250 122 Q HA 0.057 4.410 4.340 0.021 0.000 0.200 122 Q C 1.432 177.358 176.000 -0.125 0.000 0.941 122 Q CA 0.852 56.628 55.803 -0.045 0.000 0.872 122 Q CB 0.690 29.432 28.738 0.007 0.000 0.965 122 Q HN 0.544 nan 8.270 nan 0.000 0.480 123 Q N -0.671 119.115 119.800 -0.022 0.000 2.751 123 Q HA 0.264 4.617 4.340 0.021 0.000 0.391 123 Q C -0.816 175.113 176.000 -0.118 0.000 0.738 123 Q CA -0.549 55.206 55.803 -0.080 0.000 0.875 123 Q CB 1.005 29.753 28.738 0.016 0.000 2.038 123 Q HN 0.000 nan 8.270 nan 0.000 0.313 124 R N -0.339 119.993 120.500 -0.279 0.000 2.594 124 R HA 0.537 4.890 4.340 0.021 0.000 0.272 124 R C -0.066 176.203 176.300 -0.052 0.000 1.074 124 R CA 0.621 56.512 56.100 -0.348 0.000 1.105 124 R CB 0.768 30.770 30.300 -0.498 0.000 1.008 124 R HN 0.620 nan 8.270 nan 0.000 0.472 125 G N 1.208 110.048 108.800 0.065 0.000 2.523 125 G HA2 0.160 4.133 3.960 0.021 0.000 0.291 125 G HA3 0.160 4.133 3.960 0.021 0.000 0.291 125 G C -1.591 173.132 174.900 -0.295 0.000 1.450 125 G CA -0.999 44.036 45.100 -0.108 0.000 0.790 125 G HN 0.580 nan 8.290 nan 0.000 0.496 126 N N -0.494 117.968 118.700 -0.396 0.000 2.509 126 N HA 0.495 5.248 4.740 0.021 0.000 0.287 126 N C 0.842 176.047 175.510 -0.508 0.000 1.121 126 N CA 0.614 53.455 53.050 -0.349 0.000 0.977 126 N CB 1.551 39.914 38.487 -0.207 0.000 1.167 126 N HN 1.596 nan 8.380 nan 0.000 0.476 127 G N 0.540 109.097 108.800 -0.406 0.000 2.182 127 G HA2 -0.260 3.713 3.960 0.021 0.000 0.248 127 G HA3 -0.260 3.713 3.960 0.021 0.000 0.248 127 G C -0.683 174.073 174.900 -0.240 0.000 1.042 127 G CA -0.431 44.495 45.100 -0.291 0.000 0.775 127 G HN 0.384 nan 8.290 nan 0.000 0.501 128 F N 0.947 120.762 119.950 -0.226 0.000 2.420 128 F HA 0.615 5.154 4.527 0.021 0.000 0.352 128 F C 0.786 176.559 175.800 -0.045 0.000 1.108 128 F CA -0.522 57.417 58.000 -0.101 0.000 1.162 128 F CB 1.626 40.535 39.000 -0.152 0.000 1.118 128 F HN 0.385 nan 8.300 nan 0.000 0.510 129 A N 3.036 126.103 122.820 0.412 0.000 2.258 129 A HA 0.706 5.038 4.320 0.021 0.000 0.316 129 A C -0.425 177.274 177.584 0.192 0.000 1.279 129 A CA -0.408 51.836 52.037 0.345 0.000 0.876 129 A CB 0.209 19.563 19.000 0.590 0.000 1.170 129 A HN 0.674 nan 8.150 nan 0.000 0.520 130 T N 2.352 116.841 114.554 -0.108 0.000 2.840 130 T HA 0.411 4.774 4.350 0.021 0.000 0.287 130 T C -1.154 173.562 174.700 0.027 0.000 0.991 130 T CA -0.145 61.933 62.100 -0.036 0.000 0.964 130 T CB 0.708 69.474 68.868 -0.169 0.000 0.954 130 T HN 0.504 nan 8.240 nan 0.000 0.438 131 Y N 3.610 123.966 120.300 0.092 0.000 2.328 131 Y HA 0.636 5.199 4.550 0.022 0.000 0.337 131 Y C -0.044 175.827 175.900 -0.049 0.000 1.008 131 Y CA -0.970 57.198 58.100 0.113 0.000 1.129 131 Y CB 0.724 39.293 38.460 0.182 0.000 1.185 131 Y HN 0.522 nan 8.280 nan 0.000 0.476 132 R N 4.463 124.447 120.500 -0.859 0.000 2.750 132 R HA 0.388 4.741 4.340 0.021 0.000 0.281 132 R C -1.359 174.242 176.300 -1.164 0.000 0.972 132 R CA -1.134 54.460 56.100 -0.843 0.000 0.912 132 R CB 1.706 31.741 30.300 -0.441 0.000 1.187 132 R HN 0.645 nan 8.270 nan 0.000 0.464 133 N N 1.078 119.126 118.700 -1.086 0.000 2.410 133 N HA 0.248 5.001 4.740 0.021 0.000 0.287 133 N C -1.572 173.615 175.510 -0.538 0.000 1.044 133 N CA -0.206 52.276 53.050 -0.947 0.000 0.881 133 N CB 2.230 39.873 38.487 -1.407 0.000 1.405 133 N HN 0.436 nan 8.380 nan 0.000 0.490 134 T N 2.038 116.400 114.554 -0.320 0.000 2.829 134 T HA 0.232 4.595 4.350 0.021 0.000 0.282 134 T C -0.373 174.308 174.700 -0.031 0.000 0.990 134 T CA -0.156 61.863 62.100 -0.135 0.000 1.028 134 T CB 0.724 69.529 68.868 -0.106 0.000 0.951 134 T HN 0.495 nan 8.240 nan 0.000 0.460 135 D N 1.212 121.662 120.400 0.083 0.000 2.837 135 D HA -0.206 4.447 4.640 0.021 0.000 0.230 135 D C 0.069 176.546 176.300 0.294 0.000 1.152 135 D CA 0.642 54.750 54.000 0.180 0.000 0.736 135 D CB -1.594 39.285 40.800 0.131 0.000 1.084 135 D HN 0.750 nan 8.370 nan 0.000 0.429 136 F N -0.221 119.804 119.950 0.125 0.000 2.526 136 F HA -0.331 4.209 4.527 0.022 0.000 0.225 136 F C 0.331 176.344 175.800 0.356 0.000 1.031 136 F CA 0.822 58.970 58.000 0.246 0.000 0.915 136 F CB -1.632 37.563 39.000 0.325 0.000 0.952 136 F HN 0.158 nan 8.300 nan 0.000 0.834 137 F N 0.866 120.794 119.950 -0.037 0.000 3.100 137 F HA -0.229 4.311 4.527 0.022 0.000 0.283 137 F C 1.603 177.436 175.800 0.056 0.000 0.900 137 F CA 1.420 59.400 58.000 -0.034 0.000 1.010 137 F CB -1.527 37.383 39.000 -0.150 0.000 1.029 137 F HN 1.108 nan 8.300 nan 0.000 0.637 138 G N -0.781 108.138 108.800 0.197 0.000 2.189 138 G HA2 -0.364 3.609 3.960 0.021 0.000 0.267 138 G HA3 -0.364 3.609 3.960 0.021 0.000 0.267 138 G C 0.879 175.904 174.900 0.207 0.000 0.975 138 G CA 0.465 45.670 45.100 0.176 0.000 0.644 138 G HN 0.550 nan 8.290 nan 0.000 0.537 139 L N -0.712 120.684 121.223 0.289 0.000 2.249 139 L HA 0.282 4.635 4.340 0.021 0.000 0.207 139 L C 0.780 177.807 176.870 0.262 0.000 1.090 139 L CA 0.658 55.666 54.840 0.280 0.000 0.802 139 L CB 0.305 42.581 42.059 0.362 0.000 0.947 139 L HN 0.132 nan 8.230 nan 0.000 0.453 140 V N 0.336 120.438 119.914 0.313 0.000 2.357 140 V HA 0.163 4.296 4.120 0.021 0.000 0.281 140 V C -0.786 175.467 176.094 0.265 0.000 1.015 140 V CA -0.941 61.508 62.300 0.249 0.000 0.827 140 V CB 1.397 33.335 31.823 0.192 0.000 1.018 140 V HN 0.057 nan 8.190 nan 0.000 0.432 141 D N 3.827 124.366 120.400 0.231 0.000 2.455 141 D HA 0.406 5.058 4.640 0.021 0.000 0.241 141 D C 1.309 177.768 176.300 0.265 0.000 1.138 141 D CA 2.041 56.166 54.000 0.208 0.000 0.877 141 D CB 1.095 41.993 40.800 0.165 0.000 1.187 141 D HN 0.905 nan 8.370 nan 0.000 0.451 142 G N 2.550 111.468 108.800 0.197 0.000 2.199 142 G HA2 -0.253 3.720 3.960 0.021 0.000 0.254 142 G HA3 -0.253 3.720 3.960 0.021 0.000 0.254 142 G C 0.097 175.175 174.900 0.296 0.000 0.982 142 G CA 0.264 45.455 45.100 0.151 0.000 0.632 142 G HN 0.622 nan 8.290 nan 0.000 0.529 143 L N 1.934 123.401 121.223 0.406 0.000 2.257 143 L HA 0.741 5.094 4.340 0.021 0.000 0.290 143 L C -0.645 176.417 176.870 0.320 0.000 1.044 143 L CA -1.225 53.865 54.840 0.417 0.000 0.810 143 L CB 0.794 43.036 42.059 0.306 0.000 1.193 143 L HN 0.164 nan 8.230 nan 0.000 0.425 144 N N 5.104 123.967 118.700 0.272 0.000 2.272 144 N HA 0.667 5.420 4.740 0.021 0.000 0.305 144 N C -1.075 174.592 175.510 0.262 0.000 1.103 144 N CA -0.199 52.955 53.050 0.174 0.000 0.791 144 N CB 1.902 40.427 38.487 0.064 0.000 1.356 144 N HN 0.499 nan 8.380 nan 0.000 0.486 145 F N -0.959 119.017 119.950 0.043 0.000 2.643 145 F HA 0.944 5.484 4.527 0.023 0.000 0.314 145 F C -1.437 174.354 175.800 -0.015 0.000 1.096 145 F CA -1.216 56.810 58.000 0.044 0.000 0.953 145 F CB 1.264 40.342 39.000 0.130 0.000 1.345 145 F HN 0.487 nan 8.300 nan 0.000 0.468 146 A N 1.465 124.371 122.820 0.144 0.000 2.547 146 A HA 0.767 5.100 4.320 0.021 0.000 0.297 146 A C -2.175 175.541 177.584 0.219 0.000 1.056 146 A CA -0.781 51.269 52.037 0.022 0.000 0.688 146 A CB 1.664 20.615 19.000 -0.081 0.000 1.282 146 A HN 0.998 nan 8.150 nan 0.000 0.400 147 V N 1.706 121.782 119.914 0.269 0.000 2.588 147 V HA 0.705 4.838 4.120 0.021 0.000 0.304 147 V C -0.244 175.990 176.094 0.233 0.000 1.042 147 V CA -0.390 62.078 62.300 0.280 0.000 0.877 147 V CB 1.663 33.703 31.823 0.362 0.000 0.996 147 V HN 0.995 nan 8.190 nan 0.000 0.425 148 Q N 2.651 122.564 119.800 0.189 0.000 2.379 148 Q HA 0.586 4.939 4.340 0.021 0.000 0.278 148 Q C -2.322 173.847 176.000 0.281 0.000 1.068 148 Q CA -0.694 55.226 55.803 0.195 0.000 0.816 148 Q CB 3.043 31.813 28.738 0.053 0.000 1.387 148 Q HN 0.757 nan 8.270 nan 0.000 0.413 149 Y N 1.485 121.915 120.300 0.216 0.000 2.462 149 Y HA 0.400 4.962 4.550 0.021 0.000 0.346 149 Y C -1.371 174.688 175.900 0.266 0.000 0.976 149 Y CA -0.448 57.778 58.100 0.210 0.000 1.044 149 Y CB 2.147 40.720 38.460 0.189 0.000 1.230 149 Y HN 0.636 nan 8.280 nan 0.000 0.455 150 Q N 3.792 123.453 119.800 -0.231 0.000 2.340 150 Q HA 0.565 4.918 4.340 0.021 0.000 0.268 150 Q C -0.655 175.155 176.000 -0.317 0.000 1.031 150 Q CA -0.952 54.759 55.803 -0.153 0.000 0.804 150 Q CB 1.687 30.319 28.738 -0.178 0.000 1.286 150 Q HN 1.012 nan 8.270 nan 0.000 0.448 151 G N 2.642 111.429 108.800 -0.021 0.000 2.476 151 G HA2 0.118 4.091 3.960 0.021 0.000 0.269 151 G HA3 0.118 4.091 3.960 0.021 0.000 0.269 151 G C -0.664 174.211 174.900 -0.043 0.000 1.195 151 G CA -0.469 44.675 45.100 0.074 0.000 0.843 151 G HN 0.697 nan 8.290 nan 0.000 0.545 152 K N 0.951 121.344 120.400 -0.012 0.000 2.524 152 K HA -0.022 4.311 4.320 0.021 0.000 0.279 152 K C -0.584 175.985 176.600 -0.052 0.000 0.993 152 K CA 0.228 56.492 56.287 -0.038 0.000 1.030 152 K CB 0.128 32.621 32.500 -0.011 0.000 0.891 152 K HN 0.455 nan 8.250 nan 0.000 0.488 153 N N 2.947 121.593 118.700 -0.089 0.000 2.531 153 N HA 0.240 4.993 4.740 0.021 0.000 0.268 153 N C -0.405 175.041 175.510 -0.106 0.000 1.023 153 N CA -0.419 52.571 53.050 -0.100 0.000 0.896 153 N CB 1.947 40.350 38.487 -0.140 0.000 1.233 153 N HN 0.810 nan 8.380 nan 0.000 0.512 154 G N 1.103 109.844 108.800 -0.097 0.000 3.194 154 G HA2 0.204 4.177 3.960 0.021 0.000 0.160 154 G HA3 0.204 4.177 3.960 0.021 0.000 0.160 154 G C 0.078 174.872 174.900 -0.176 0.000 1.267 154 G CA -0.284 44.745 45.100 -0.119 0.000 0.962 154 G HN 0.337 nan 8.290 nan 0.000 0.612 155 N N 1.602 120.150 118.700 -0.255 0.000 2.508 155 N HA 0.297 5.050 4.740 0.021 0.000 0.264 155 N C -2.486 172.833 175.510 -0.319 0.000 1.216 155 N CA -0.907 51.854 53.050 -0.481 0.000 0.943 155 N CB 0.921 38.898 38.487 -0.851 0.000 1.113 155 N HN 0.028 nan 8.380 nan 0.000 0.447 156 P HA 0.017 nan 4.420 nan 0.000 0.268 156 P C -0.169 177.147 177.300 0.027 0.000 1.205 156 P CA -0.151 62.909 63.100 -0.067 0.000 0.771 156 P CB 0.406 32.122 31.700 0.027 0.000 0.858 157 S N 1.243 116.968 115.700 0.041 0.000 2.617 157 S HA 0.486 4.968 4.470 0.021 0.000 0.269 157 S C 1.012 175.669 174.600 0.094 0.000 1.292 157 S CA 0.131 58.374 58.200 0.071 0.000 1.010 157 S CB -0.046 63.180 63.200 0.044 0.000 0.944 157 S HN 0.927 nan 8.310 nan 0.000 0.536 158 G N 1.005 109.861 108.800 0.094 0.000 2.273 158 G HA2 -0.215 3.758 3.960 0.021 0.000 0.280 158 G HA3 -0.215 3.758 3.960 0.021 0.000 0.280 158 G C -0.037 174.917 174.900 0.090 0.000 1.047 158 G CA 0.425 45.571 45.100 0.077 0.000 0.869 158 G HN 0.838 nan 8.290 nan 0.000 0.502 159 E N -1.184 119.100 120.200 0.140 0.000 3.029 159 E HA 0.409 4.772 4.350 0.021 0.000 0.196 159 E C 1.477 178.071 176.600 -0.009 0.000 0.973 159 E CA 0.040 56.508 56.400 0.113 0.000 1.242 159 E CB 0.414 30.255 29.700 0.235 0.000 1.056 159 E HN 1.309 nan 8.360 nan 0.000 0.469 160 G N 1.154 109.957 108.800 0.006 0.000 2.184 160 G HA2 -0.326 3.647 3.960 0.021 0.000 0.264 160 G HA3 -0.326 3.647 3.960 0.021 0.000 0.264 160 G C 0.069 174.903 174.900 -0.110 0.000 0.975 160 G CA 0.002 45.056 45.100 -0.075 0.000 0.642 160 G HN 0.275 nan 8.290 nan 0.000 0.536 161 F N 1.388 121.350 119.950 0.019 0.000 2.529 161 F HA 0.394 4.934 4.527 0.022 0.000 0.365 161 F C 2.020 177.832 175.800 0.020 0.000 1.102 161 F CA 1.055 59.068 58.000 0.022 0.000 1.271 161 F CB 1.155 40.170 39.000 0.025 0.000 1.120 161 F HN 0.092 nan 8.300 nan 0.000 0.579 162 T N -2.337 112.327 114.554 0.183 0.000 3.069 162 T HA 0.245 4.608 4.350 0.021 0.000 0.252 162 T C 0.244 175.009 174.700 0.108 0.000 1.053 162 T CA 0.345 62.511 62.100 0.111 0.000 0.964 162 T CB -0.244 68.663 68.868 0.065 0.000 1.005 162 T HN 0.530 nan 8.240 nan 0.000 0.532 163 S N -1.154 114.630 115.700 0.140 0.000 2.588 163 S HA 0.597 5.080 4.470 0.021 0.000 0.269 163 S C 0.717 175.360 174.600 0.072 0.000 1.157 163 S CA -0.154 58.100 58.200 0.091 0.000 0.824 163 S CB 1.061 64.306 63.200 0.075 0.000 1.126 163 S HN 1.169 nan 8.310 nan 0.000 0.464 164 G N -0.256 108.562 108.800 0.030 0.000 2.166 164 G HA2 -0.213 3.760 3.960 0.021 0.000 0.260 164 G HA3 -0.213 3.760 3.960 0.021 0.000 0.260 164 G C 0.096 174.965 174.900 -0.052 0.000 0.986 164 G CA 0.186 45.278 45.100 -0.013 0.000 0.683 164 G HN 1.314 nan 8.290 nan 0.000 0.527 165 V N 1.281 121.182 119.914 -0.021 0.000 2.775 165 V HA 0.670 4.803 4.120 0.021 0.000 0.299 165 V C 0.983 177.061 176.094 -0.026 0.000 1.062 165 V CA 0.689 62.967 62.300 -0.036 0.000 1.063 165 V CB 1.426 33.262 31.823 0.022 0.000 0.994 165 V HN 0.893 nan 8.190 nan 0.000 0.483 166 T N 0.044 114.575 114.554 -0.038 0.000 2.896 166 T HA 0.311 4.674 4.350 0.021 0.000 0.297 166 T C 0.803 175.497 174.700 -0.010 0.000 1.108 166 T CA -0.245 61.845 62.100 -0.017 0.000 1.004 166 T CB 1.347 70.202 68.868 -0.023 0.000 1.159 166 T HN 0.671 nan 8.240 nan 0.000 0.499 167 N N 1.587 120.290 118.700 0.006 0.000 2.192 167 N HA -0.225 4.528 4.740 0.021 0.000 0.188 167 N C 0.959 176.473 175.510 0.007 0.000 1.013 167 N CA 1.758 54.816 53.050 0.013 0.000 0.863 167 N CB -0.431 38.069 38.487 0.022 0.000 0.990 167 N HN 0.711 nan 8.380 nan 0.000 0.430 168 N N -0.323 118.374 118.700 -0.004 0.000 2.380 168 N HA 0.188 4.941 4.740 0.021 0.000 0.255 168 N C 0.214 175.702 175.510 -0.037 0.000 1.158 168 N CA -0.218 52.825 53.050 -0.011 0.000 0.878 168 N CB -0.239 38.244 38.487 -0.007 0.000 1.138 168 N HN 0.294 nan 8.380 nan 0.000 0.509 169 G N 1.006 109.778 108.800 -0.046 0.000 2.664 169 G HA2 0.328 4.301 3.960 0.021 0.000 0.242 169 G HA3 0.328 4.301 3.960 0.021 0.000 0.242 169 G C 0.290 175.141 174.900 -0.082 0.000 1.225 169 G CA -0.280 44.770 45.100 -0.084 0.000 0.849 169 G HN 0.593 nan 8.290 nan 0.000 0.581 170 R N 0.071 120.506 120.500 -0.109 0.000 2.844 170 R HA 0.248 4.601 4.340 0.021 0.000 0.264 170 R C -0.969 175.275 176.300 -0.094 0.000 1.077 170 R CA -0.780 55.268 56.100 -0.087 0.000 0.953 170 R CB -0.098 30.149 30.300 -0.088 0.000 1.272 170 R HN 0.604 nan 8.270 nan 0.000 0.447 171 D N 0.104 120.469 120.400 -0.059 0.000 2.400 171 D HA 0.080 4.733 4.640 0.021 0.000 0.238 171 D C 1.022 177.297 176.300 -0.043 0.000 1.157 171 D CA 0.307 54.291 54.000 -0.026 0.000 0.889 171 D CB 0.780 41.575 40.800 -0.009 0.000 1.199 171 D HN 0.614 nan 8.370 nan 0.000 0.436 172 A N 2.258 125.080 122.820 0.002 0.000 1.940 172 A HA -0.170 4.162 4.320 0.021 0.000 0.219 172 A C 2.409 179.987 177.584 -0.009 0.000 1.176 172 A CA 1.005 53.035 52.037 -0.011 0.000 0.631 172 A CB -0.730 18.282 19.000 0.020 0.000 0.814 172 A HN 0.667 nan 8.150 nan 0.000 0.446 173 L N -1.675 119.470 121.223 -0.129 0.000 2.353 173 L HA -0.101 4.252 4.340 0.021 0.000 0.220 173 L C 2.160 178.980 176.870 -0.084 0.000 1.133 173 L CA 1.000 55.731 54.840 -0.182 0.000 0.798 173 L CB -0.203 41.670 42.059 -0.309 0.000 0.922 173 L HN 0.342 nan 8.230 nan 0.000 0.445 174 R N -1.422 119.010 120.500 -0.112 0.000 2.543 174 R HA 0.177 4.529 4.340 0.021 0.000 0.323 174 R C 0.196 176.373 176.300 -0.205 0.000 1.002 174 R CA -0.183 55.817 56.100 -0.166 0.000 1.106 174 R CB 0.534 30.742 30.300 -0.153 0.000 1.280 174 R HN 0.363 nan 8.270 nan 0.000 0.549 175 Q N 1.501 121.190 119.800 -0.185 0.000 2.318 175 Q HA 0.222 4.575 4.340 0.021 0.000 0.222 175 Q C -0.239 175.574 176.000 -0.312 0.000 1.003 175 Q CA -0.299 55.385 55.803 -0.198 0.000 0.936 175 Q CB 0.997 29.657 28.738 -0.129 0.000 1.204 175 Q HN 0.206 nan 8.270 nan 0.000 0.524 176 N N -1.302 117.277 118.700 -0.203 0.000 2.598 176 N HA 0.350 5.103 4.740 0.021 0.000 0.263 176 N C -0.933 174.557 175.510 -0.033 0.000 1.254 176 N CA -0.565 52.428 53.050 -0.096 0.000 0.863 176 N CB 1.216 39.632 38.487 -0.119 0.000 1.586 176 N HN 0.613 nan 8.380 nan 0.000 0.491 177 G N -0.197 108.620 108.800 0.028 0.000 2.532 177 G HA2 0.255 4.228 3.960 0.021 0.000 0.291 177 G HA3 0.255 4.228 3.960 0.021 0.000 0.291 177 G C -0.540 174.328 174.900 -0.053 0.000 1.349 177 G CA -0.355 44.735 45.100 -0.016 0.000 1.038 177 G HN 0.601 nan 8.290 nan 0.000 0.518 178 D N -0.244 120.115 120.400 -0.068 0.000 2.488 178 D HA 0.433 5.086 4.640 0.021 0.000 0.238 178 D C 0.564 176.725 176.300 -0.232 0.000 1.138 178 D CA 0.875 54.770 54.000 -0.175 0.000 0.873 178 D CB 1.217 41.993 40.800 -0.041 0.000 1.183 178 D HN 0.540 nan 8.370 nan 0.000 0.458 179 G N -0.284 108.261 108.800 -0.425 0.000 2.612 179 G HA2 0.557 4.530 3.960 0.021 0.000 0.298 179 G HA3 0.557 4.530 3.960 0.021 0.000 0.298 179 G C -1.443 173.284 174.900 -0.288 0.000 1.336 179 G CA -0.538 44.410 45.100 -0.252 0.000 0.953 179 G HN 0.405 nan 8.290 nan 0.000 0.482 180 V N -0.018 119.840 119.914 -0.093 0.000 2.925 180 V HA 0.995 5.128 4.120 0.021 0.000 0.311 180 V C 0.004 176.107 176.094 0.015 0.000 1.104 180 V CA 0.350 62.661 62.300 0.017 0.000 0.954 180 V CB 2.059 33.937 31.823 0.093 0.000 1.022 180 V HN 1.561 nan 8.190 nan 0.000 0.427 181 G N 2.696 111.525 108.800 0.048 0.000 2.704 181 G HA2 0.772 4.745 3.960 0.021 0.000 0.293 181 G HA3 0.772 4.745 3.960 0.021 0.000 0.293 181 G C -0.760 174.166 174.900 0.044 0.000 1.421 181 G CA -0.158 44.949 45.100 0.012 0.000 0.870 181 G HN 1.342 nan 8.290 nan 0.000 0.492 182 G N -0.784 108.031 108.800 0.025 0.000 2.696 182 G HA2 0.816 4.789 3.960 0.021 0.000 0.295 182 G HA3 0.816 4.789 3.960 0.021 0.000 0.295 182 G C -0.640 174.281 174.900 0.035 0.000 1.398 182 G CA 0.217 45.358 45.100 0.068 0.000 0.920 182 G HN 1.623 nan 8.290 nan 0.000 0.492 183 S N -0.543 115.195 115.700 0.063 0.000 2.564 183 S HA 0.848 5.331 4.470 0.021 0.000 0.274 183 S C -1.041 173.619 174.600 0.100 0.000 1.124 183 S CA -0.787 57.427 58.200 0.024 0.000 0.869 183 S CB 1.899 65.062 63.200 -0.061 0.000 1.105 183 S HN 0.713 nan 8.310 nan 0.000 0.472 184 I N 1.697 122.310 120.570 0.072 0.000 2.656 184 I HA 0.556 4.739 4.170 0.021 0.000 0.292 184 I C -0.647 175.526 176.117 0.094 0.000 1.144 184 I CA -0.569 60.811 61.300 0.133 0.000 1.038 184 I CB 2.755 40.829 38.000 0.124 0.000 1.244 184 I HN 0.967 nan 8.210 nan 0.000 0.420 185 T N 1.362 116.003 114.554 0.145 0.000 2.906 185 T HA 0.643 5.006 4.350 0.021 0.000 0.295 185 T C -1.410 173.492 174.700 0.336 0.000 1.061 185 T CA -0.830 61.396 62.100 0.210 0.000 1.000 185 T CB 2.264 71.228 68.868 0.160 0.000 1.103 185 T HN 0.442 nan 8.240 nan 0.000 0.486 186 Y N 0.831 121.265 120.300 0.222 0.000 2.386 186 Y HA 0.586 5.149 4.550 0.021 0.000 0.334 186 Y C -1.788 174.238 175.900 0.211 0.000 1.002 186 Y CA -1.271 56.940 58.100 0.185 0.000 1.068 186 Y CB 1.827 40.366 38.460 0.132 0.000 1.203 186 Y HN 0.865 nan 8.280 nan 0.000 0.443 187 D N 4.837 125.024 120.400 -0.356 0.000 2.502 187 D HA 0.285 4.938 4.640 0.021 0.000 0.249 187 D C -1.939 174.058 176.300 -0.504 0.000 1.092 187 D CA -0.122 53.689 54.000 -0.315 0.000 0.839 187 D CB 1.451 42.177 40.800 -0.123 0.000 1.264 187 D HN 0.421 nan 8.370 nan 0.000 0.511 188 Y N 3.118 123.142 120.300 -0.460 0.000 2.346 188 Y HA 0.216 4.779 4.550 0.022 0.000 0.332 188 Y C 0.716 176.597 175.900 -0.032 0.000 0.985 188 Y CA -0.723 57.213 58.100 -0.274 0.000 1.112 188 Y CB 0.572 38.906 38.460 -0.209 0.000 1.170 188 Y HN 0.695 nan 8.280 nan 0.000 0.447 189 E N 2.323 122.188 120.200 -0.559 0.000 3.422 189 E HA -0.373 3.990 4.350 0.021 0.000 0.426 189 E C 1.087 177.555 176.600 -0.221 0.000 1.588 189 E CA 1.531 57.714 56.400 -0.362 0.000 1.437 189 E CB -1.419 28.064 29.700 -0.362 0.000 1.496 189 E HN 0.835 nan 8.360 nan 0.000 0.445 190 G N 0.372 109.059 108.800 -0.189 0.000 2.572 190 G HA2 0.197 4.170 3.960 0.021 0.000 0.216 190 G HA3 0.197 4.170 3.960 0.021 0.000 0.216 190 G C 0.298 174.870 174.900 -0.546 0.000 1.133 190 G CA 0.419 45.207 45.100 -0.520 0.000 0.791 190 G HN 0.198 nan 8.290 nan 0.000 0.538 191 F N 0.010 119.879 119.950 -0.135 0.000 2.399 191 F HA 0.638 5.178 4.527 0.022 0.000 0.328 191 F C 0.699 176.401 175.800 -0.164 0.000 1.084 191 F CA -0.512 57.446 58.000 -0.070 0.000 1.053 191 F CB 2.199 41.230 39.000 0.051 0.000 1.209 191 F HN 0.027 nan 8.300 nan 0.000 0.502 192 G N 2.309 111.087 108.800 -0.036 0.000 2.701 192 G HA2 0.647 4.620 3.960 0.021 0.000 0.300 192 G HA3 0.647 4.620 3.960 0.021 0.000 0.300 192 G C -2.115 172.813 174.900 0.047 0.000 1.410 192 G CA -0.540 44.482 45.100 -0.130 0.000 1.014 192 G HN 0.700 nan 8.290 nan 0.000 0.509 193 I N 1.118 121.866 120.570 0.296 0.000 2.686 193 I HA 0.859 5.041 4.170 0.021 0.000 0.295 193 I C -0.044 176.357 176.117 0.473 0.000 1.114 193 I CA -0.683 60.845 61.300 0.379 0.000 1.038 193 I CB 2.322 40.484 38.000 0.269 0.000 1.238 193 I HN 0.822 nan 8.210 nan 0.000 0.420 194 G N 3.582 112.609 108.800 0.379 0.000 2.677 194 G HA2 0.709 4.682 3.960 0.021 0.000 0.291 194 G HA3 0.709 4.682 3.960 0.021 0.000 0.291 194 G C -1.597 173.346 174.900 0.072 0.000 1.435 194 G CA -0.467 44.725 45.100 0.153 0.000 0.826 194 G HN 0.908 nan 8.290 nan 0.000 0.491 195 G N -1.482 107.329 108.800 0.019 0.000 2.696 195 G HA2 0.965 4.938 3.960 0.021 0.000 0.295 195 G HA3 0.965 4.938 3.960 0.021 0.000 0.295 195 G C -1.035 173.861 174.900 -0.008 0.000 1.398 195 G CA 0.265 45.384 45.100 0.032 0.000 0.920 195 G HN 1.827 nan 8.290 nan 0.000 0.492 196 A N 0.482 123.300 122.820 -0.005 0.000 2.589 196 A HA 0.838 5.171 4.320 0.021 0.000 0.296 196 A C -1.363 176.194 177.584 -0.044 0.000 1.062 196 A CA -0.534 51.481 52.037 -0.037 0.000 0.686 196 A CB 1.245 20.189 19.000 -0.092 0.000 1.282 196 A HN 0.829 nan 8.150 nan 0.000 0.404 197 I N 1.420 121.942 120.570 -0.080 0.000 2.619 197 I HA 0.581 4.764 4.170 0.021 0.000 0.292 197 I C -0.063 175.945 176.117 -0.183 0.000 1.100 197 I CA -0.546 60.637 61.300 -0.195 0.000 1.043 197 I CB 2.584 40.484 38.000 -0.167 0.000 1.239 197 I HN 0.809 nan 8.210 nan 0.000 0.420 198 S N 3.072 118.619 115.700 -0.255 0.000 2.549 198 S HA 0.751 5.233 4.470 0.021 0.000 0.280 198 S C -0.944 173.527 174.600 -0.214 0.000 1.109 198 S CA -0.677 57.422 58.200 -0.168 0.000 0.905 198 S CB 2.223 65.364 63.200 -0.098 0.000 1.081 198 S HN 0.562 nan 8.310 nan 0.000 0.477 199 S N 1.327 116.939 115.700 -0.147 0.000 2.750 199 S HA 0.658 5.141 4.470 0.021 0.000 0.276 199 S C -1.394 173.127 174.600 -0.132 0.000 1.165 199 S CA -0.455 57.652 58.200 -0.155 0.000 1.047 199 S CB 0.860 63.988 63.200 -0.120 0.000 1.056 199 S HN 0.780 nan 8.310 nan 0.000 0.481 200 S N 3.426 119.015 115.700 -0.185 0.000 2.502 200 S HA 0.450 4.932 4.470 0.021 0.000 0.304 200 S C -0.557 173.938 174.600 -0.175 0.000 1.097 200 S CA -0.820 57.292 58.200 -0.147 0.000 1.045 200 S CB 1.550 64.716 63.200 -0.057 0.000 1.019 200 S HN 0.733 nan 8.310 nan 0.000 0.481 201 K N 2.544 122.883 120.400 -0.102 0.000 2.484 201 K HA 0.059 4.392 4.320 0.021 0.000 0.280 201 K C -0.179 176.381 176.600 -0.068 0.000 1.013 201 K CA 0.558 56.794 56.287 -0.084 0.000 1.029 201 K CB 0.276 32.748 32.500 -0.045 0.000 0.902 201 K HN 0.478 nan 8.250 nan 0.000 0.481 202 R N 1.953 122.388 120.500 -0.107 0.000 2.457 202 R HA 0.254 4.607 4.340 0.021 0.000 0.284 202 R C 0.021 176.290 176.300 -0.051 0.000 1.024 202 R CA -0.496 55.553 56.100 -0.085 0.000 1.025 202 R CB 1.117 31.288 30.300 -0.213 0.000 1.063 202 R HN 0.865 nan 8.270 nan 0.000 0.493 203 T N -2.139 112.391 114.554 -0.039 0.000 2.847 203 T HA 0.115 4.478 4.350 0.021 0.000 0.279 203 T C 0.576 175.273 174.700 -0.006 0.000 0.984 203 T CA -0.864 61.221 62.100 -0.024 0.000 0.988 203 T CB 0.943 69.791 68.868 -0.032 0.000 1.040 203 T HN 0.370 nan 8.240 nan 0.000 0.528 204 D N 0.609 121.018 120.400 0.016 0.000 2.178 204 D HA 0.021 4.674 4.640 0.021 0.000 0.202 204 D C 2.253 178.605 176.300 0.086 0.000 0.974 204 D CA 1.435 55.464 54.000 0.048 0.000 0.841 204 D CB -0.656 40.177 40.800 0.055 0.000 0.953 204 D HN 0.735 nan 8.370 nan 0.000 0.478 205 A N 0.461 123.327 122.820 0.076 0.000 2.015 205 A HA -0.171 4.162 4.320 0.021 0.000 0.219 205 A C 2.039 179.744 177.584 0.202 0.000 1.163 205 A CA 1.086 53.204 52.037 0.135 0.000 0.646 205 A CB -0.333 18.701 19.000 0.057 0.000 0.806 205 A HN 0.210 nan 8.150 nan 0.000 0.448 206 Q N -0.403 119.462 119.800 0.108 0.000 2.212 206 Q HA 0.018 4.370 4.340 0.021 0.000 0.199 206 Q C -0.008 176.106 176.000 0.192 0.000 0.950 206 Q CA 0.462 56.319 55.803 0.091 0.000 0.863 206 Q CB 0.034 28.657 28.738 -0.193 0.000 0.944 206 Q HN 0.452 nan 8.270 nan 0.000 0.465 207 N N 2.087 120.863 118.700 0.126 0.000 3.331 207 N HA 0.044 4.797 4.740 0.021 0.000 0.303 207 N C -0.601 175.014 175.510 0.174 0.000 1.326 207 N CA 0.229 53.360 53.050 0.135 0.000 1.207 207 N CB 0.514 39.035 38.487 0.057 0.000 1.477 207 N HN 0.236 nan 8.380 nan 0.000 0.541 208 T N -4.135 110.576 114.554 0.261 0.000 2.883 208 T HA 0.607 4.970 4.350 0.021 0.000 0.284 208 T C 1.141 175.946 174.700 0.176 0.000 1.041 208 T CA -0.768 61.450 62.100 0.196 0.000 1.007 208 T CB 1.618 70.601 68.868 0.191 0.000 1.220 208 T HN -0.002 nan 8.240 nan 0.000 0.552 209 A N -0.091 122.789 122.820 0.101 0.000 2.209 209 A HA 0.417 4.750 4.320 0.021 0.000 0.212 209 A C 2.357 179.950 177.584 0.014 0.000 1.158 209 A CA 1.178 53.255 52.037 0.067 0.000 0.742 209 A CB -1.367 17.657 19.000 0.040 0.000 0.790 209 A HN 1.228 nan 8.150 nan 0.000 0.472 210 A N -1.449 121.337 122.820 -0.057 0.000 2.070 210 A HA 0.181 4.514 4.320 0.021 0.000 0.220 210 A C 0.422 177.733 177.584 -0.456 0.000 1.159 210 A CA 0.770 52.621 52.037 -0.310 0.000 0.656 210 A CB -0.286 18.410 19.000 -0.507 0.000 0.800 210 A HN 0.475 nan 8.150 nan 0.000 0.453 211 Y N -0.723 119.660 120.300 0.139 0.000 2.462 211 Y HA 0.531 5.094 4.550 0.022 0.000 0.346 211 Y C 0.337 176.362 175.900 0.209 0.000 0.976 211 Y CA -1.777 56.425 58.100 0.171 0.000 1.044 211 Y CB 1.063 39.699 38.460 0.294 0.000 1.230 211 Y HN 0.261 nan 8.280 nan 0.000 0.455 212 I N -0.318 120.473 120.570 0.369 0.000 3.004 212 I HA 0.645 4.828 4.170 0.021 0.000 0.287 212 I C 1.044 177.409 176.117 0.412 0.000 1.144 212 I CA -0.238 61.259 61.300 0.327 0.000 1.353 212 I CB 0.445 38.626 38.000 0.302 0.000 1.417 212 I HN 0.827 nan 8.210 nan 0.000 0.602 213 G N 2.663 111.657 108.800 0.323 0.000 2.248 213 G HA2 -0.252 3.721 3.960 0.021 0.000 0.263 213 G HA3 -0.252 3.721 3.960 0.021 0.000 0.263 213 G C -0.196 174.848 174.900 0.240 0.000 1.082 213 G CA -0.122 45.165 45.100 0.311 0.000 0.863 213 G HN 0.908 nan 8.290 nan 0.000 0.495 214 N N 0.086 118.901 118.700 0.191 0.000 2.453 214 N HA 0.519 5.272 4.740 0.021 0.000 0.253 214 N C 0.594 176.133 175.510 0.049 0.000 1.252 214 N CA 0.929 54.047 53.050 0.112 0.000 0.917 214 N CB 0.882 39.438 38.487 0.115 0.000 1.117 214 N HN 0.992 nan 8.380 nan 0.000 0.442 215 G N 0.233 109.029 108.800 -0.006 0.000 2.340 215 G HA2 -0.059 3.914 3.960 0.021 0.000 0.298 215 G HA3 -0.059 3.914 3.960 0.021 0.000 0.298 215 G C -0.179 174.680 174.900 -0.069 0.000 1.498 215 G CA -0.577 44.507 45.100 -0.027 0.000 0.847 215 G HN 0.509 nan 8.290 nan 0.000 0.594 216 D N -0.587 119.778 120.400 -0.059 0.000 2.149 216 D HA 0.033 4.686 4.640 0.021 0.000 0.201 216 D C 1.002 177.235 176.300 -0.111 0.000 0.972 216 D CA 1.212 55.172 54.000 -0.067 0.000 0.835 216 D CB 0.198 40.970 40.800 -0.046 0.000 0.966 216 D HN 0.443 nan 8.370 nan 0.000 0.476 217 R N -0.700 119.716 120.500 -0.140 0.000 2.725 217 R HA 0.712 5.065 4.340 0.021 0.000 0.277 217 R C -1.141 174.979 176.300 -0.300 0.000 0.987 217 R CA -0.958 55.019 56.100 -0.206 0.000 0.901 217 R CB 2.211 32.420 30.300 -0.152 0.000 1.207 217 R HN -0.062 nan 8.270 nan 0.000 0.463 218 A N 2.260 124.765 122.820 -0.524 0.000 2.276 218 A HA 0.377 4.710 4.320 0.021 0.000 0.300 218 A C -0.519 176.817 177.584 -0.413 0.000 1.235 218 A CA -0.356 51.266 52.037 -0.693 0.000 0.867 218 A CB 0.470 18.399 19.000 -1.785 0.000 1.137 218 A HN 0.697 nan 8.150 nan 0.000 0.527 219 E N 1.036 121.128 120.200 -0.180 0.000 2.317 219 E HA 0.601 4.964 4.350 0.021 0.000 0.270 219 E C -0.915 175.671 176.600 -0.022 0.000 0.885 219 E CA -0.745 55.585 56.400 -0.117 0.000 0.760 219 E CB 2.403 32.086 29.700 -0.029 0.000 1.227 219 E HN 0.707 nan 8.360 nan 0.000 0.434 220 T N -0.769 113.656 114.554 -0.215 0.000 2.912 220 T HA 0.598 4.961 4.350 0.021 0.000 0.299 220 T C -1.242 173.232 174.700 -0.377 0.000 1.052 220 T CA -0.690 61.339 62.100 -0.120 0.000 0.996 220 T CB 0.597 69.419 68.868 -0.077 0.000 1.070 220 T HN 0.377 nan 8.240 nan 0.000 0.465 221 Y N 0.664 121.006 120.300 0.069 0.000 2.346 221 Y HA 0.616 5.179 4.550 0.022 0.000 0.332 221 Y C 0.298 176.235 175.900 0.062 0.000 0.985 221 Y CA -0.836 57.308 58.100 0.073 0.000 1.112 221 Y CB 2.760 41.289 38.460 0.116 0.000 1.170 221 Y HN 0.780 nan 8.280 nan 0.000 0.447 222 T N 2.156 116.802 114.554 0.154 0.000 2.886 222 T HA 0.726 5.089 4.350 0.021 0.000 0.292 222 T C -0.242 174.537 174.700 0.131 0.000 1.012 222 T CA -0.942 61.223 62.100 0.108 0.000 0.982 222 T CB 1.772 70.644 68.868 0.007 0.000 1.018 222 T HN 0.858 nan 8.240 nan 0.000 0.451 223 G N 0.346 109.255 108.800 0.181 0.000 2.591 223 G HA2 0.731 4.704 3.960 0.021 0.000 0.306 223 G HA3 0.731 4.704 3.960 0.021 0.000 0.306 223 G C -0.755 174.263 174.900 0.196 0.000 1.334 223 G CA -0.830 44.378 45.100 0.180 0.000 0.981 223 G HN 0.937 nan 8.290 nan 0.000 0.491 224 G N -0.346 108.581 108.800 0.212 0.000 2.659 224 G HA2 0.664 4.637 3.960 0.021 0.000 0.296 224 G HA3 0.664 4.637 3.960 0.021 0.000 0.296 224 G C -1.339 173.812 174.900 0.418 0.000 1.369 224 G CA -0.667 44.622 45.100 0.315 0.000 0.937 224 G HN 0.669 nan 8.290 nan 0.000 0.485 225 L N 0.380 121.800 121.223 0.329 0.000 2.388 225 L HA 0.739 5.092 4.340 0.021 0.000 0.264 225 L C -0.299 176.533 176.870 -0.063 0.000 0.998 225 L CA -0.921 54.018 54.840 0.165 0.000 0.817 225 L CB 2.906 45.043 42.059 0.129 0.000 1.338 225 L HN 0.510 nan 8.230 nan 0.000 0.414 226 K N 1.348 121.577 120.400 -0.284 0.000 2.523 226 K HA 0.495 4.828 4.320 0.021 0.000 0.257 226 K C -2.196 174.163 176.600 -0.401 0.000 0.932 226 K CA -0.690 55.256 56.287 -0.568 0.000 0.812 226 K CB 2.664 34.456 32.500 -1.180 0.000 1.326 226 K HN 0.493 nan 8.250 nan 0.000 0.433 227 Y N 2.363 122.274 120.300 -0.648 0.000 2.386 227 Y HA 0.366 4.930 4.550 0.022 0.000 0.334 227 Y C -1.586 173.924 175.900 -0.650 0.000 1.002 227 Y CA -0.728 56.974 58.100 -0.663 0.000 1.068 227 Y CB 1.714 39.819 38.460 -0.592 0.000 1.203 227 Y HN 0.623 nan 8.280 nan 0.000 0.443 228 D N 5.118 124.885 120.400 -1.055 0.000 2.517 228 D HA 0.610 5.263 4.640 0.021 0.000 0.263 228 D C -1.625 174.222 176.300 -0.755 0.000 1.233 228 D CA 0.179 53.771 54.000 -0.680 0.000 0.849 228 D CB 0.349 40.932 40.800 -0.362 0.000 1.261 228 D HN 0.774 nan 8.370 nan 0.000 0.516 229 A N 1.887 124.137 122.820 -0.950 0.000 2.610 229 A HA 0.618 4.951 4.320 0.021 0.000 0.291 229 A C -0.002 177.351 177.584 -0.385 0.000 1.086 229 A CA -0.646 51.011 52.037 -0.634 0.000 0.677 229 A CB 0.960 19.555 19.000 -0.674 0.000 1.278 229 A HN 0.234 nan 8.150 nan 0.000 0.414 230 N N 1.255 119.820 118.700 -0.225 0.000 2.740 230 N HA -0.202 4.551 4.740 0.021 0.000 0.248 230 N C 0.078 175.496 175.510 -0.154 0.000 1.062 230 N CA 1.207 54.189 53.050 -0.114 0.000 0.704 230 N CB -0.810 37.678 38.487 0.002 0.000 0.968 230 N HN 0.847 nan 8.380 nan 0.000 0.547 231 N N -1.954 116.578 118.700 -0.279 0.000 2.863 231 N HA -0.207 4.546 4.740 0.021 0.000 0.245 231 N C -0.202 174.965 175.510 -0.570 0.000 1.001 231 N CA 1.436 54.182 53.050 -0.506 0.000 0.901 231 N CB -1.158 36.888 38.487 -0.736 0.000 1.124 231 N HN 0.621 nan 8.380 nan 0.000 0.582 232 I N 0.137 120.565 120.570 -0.237 0.000 2.460 232 I HA 0.334 4.517 4.170 0.021 0.000 0.298 232 I C -0.287 175.802 176.117 -0.047 0.000 0.989 232 I CA -0.884 60.394 61.300 -0.037 0.000 1.173 232 I CB 1.452 39.555 38.000 0.171 0.000 1.338 232 I HN -0.035 nan 8.210 nan 0.000 0.456 233 Y N 6.608 126.841 120.300 -0.110 0.000 2.326 233 Y HA 0.651 5.214 4.550 0.022 0.000 0.329 233 Y C -1.457 174.416 175.900 -0.045 0.000 0.973 233 Y CA -0.640 57.382 58.100 -0.131 0.000 1.162 233 Y CB 1.135 39.502 38.460 -0.155 0.000 1.147 233 Y HN 0.343 nan 8.280 nan 0.000 0.456 234 L N 5.836 126.817 121.223 -0.403 0.000 2.365 234 L HA 1.005 5.357 4.340 0.021 0.000 0.273 234 L C -0.679 175.897 176.870 -0.491 0.000 1.000 234 L CA -1.054 53.627 54.840 -0.265 0.000 0.819 234 L CB 1.908 43.905 42.059 -0.103 0.000 1.284 234 L HN 0.733 nan 8.230 nan 0.000 0.418 235 A N 2.200 124.874 122.820 -0.242 0.000 2.594 235 A HA 0.967 5.299 4.320 0.021 0.000 0.295 235 A C -1.515 176.050 177.584 -0.032 0.000 1.071 235 A CA -0.304 51.631 52.037 -0.169 0.000 0.685 235 A CB 2.026 20.956 19.000 -0.116 0.000 1.285 235 A HN 0.839 nan 8.150 nan 0.000 0.405 236 A N 0.817 123.643 122.820 0.012 0.000 2.549 236 A HA 0.829 5.162 4.320 0.021 0.000 0.297 236 A C -1.024 176.590 177.584 0.049 0.000 1.061 236 A CA -0.330 51.691 52.037 -0.027 0.000 0.690 236 A CB 1.703 20.745 19.000 0.070 0.000 1.287 236 A HN 1.958 nan 8.150 nan 0.000 0.402 237 Q N 0.195 119.962 119.800 -0.055 0.000 2.345 237 Q HA 0.698 5.051 4.340 0.021 0.000 0.275 237 Q C -1.760 174.338 176.000 0.163 0.000 1.063 237 Q CA -0.618 55.238 55.803 0.088 0.000 0.819 237 Q CB 1.644 30.426 28.738 0.072 0.000 1.356 237 Q HN 0.922 nan 8.270 nan 0.000 0.418 238 Y N 0.968 121.373 120.300 0.174 0.000 2.391 238 Y HA 0.731 5.294 4.550 0.021 0.000 0.341 238 Y C -1.354 174.647 175.900 0.169 0.000 0.965 238 Y CA -0.376 57.873 58.100 0.249 0.000 1.067 238 Y CB 2.485 41.127 38.460 0.304 0.000 1.199 238 Y HN 0.831 nan 8.280 nan 0.000 0.450 239 T N 6.227 120.545 114.554 -0.392 0.000 2.848 239 T HA 0.282 4.645 4.350 0.021 0.000 0.285 239 T C -1.355 173.081 174.700 -0.440 0.000 0.995 239 T CA -0.682 61.270 62.100 -0.248 0.000 0.970 239 T CB 1.479 70.301 68.868 -0.077 0.000 0.976 239 T HN 0.648 nan 8.240 nan 0.000 0.441 240 Q N 2.266 121.969 119.800 -0.161 0.000 2.322 240 Q HA 0.620 4.973 4.340 0.021 0.000 0.265 240 Q C -0.523 175.512 176.000 0.058 0.000 0.985 240 Q CA -0.624 55.130 55.803 -0.081 0.000 0.849 240 Q CB 0.970 29.771 28.738 0.104 0.000 1.274 240 Q HN 0.811 nan 8.270 nan 0.000 0.449 241 T N 0.422 114.912 114.554 -0.106 0.000 2.908 241 T HA 0.590 4.953 4.350 0.021 0.000 0.290 241 T C -1.113 173.433 174.700 -0.256 0.000 1.034 241 T CA -0.532 61.558 62.100 -0.017 0.000 1.010 241 T CB 0.882 69.761 68.868 0.017 0.000 1.068 241 T HN 0.461 nan 8.240 nan 0.000 0.481 242 Y N 1.274 121.603 120.300 0.049 0.000 2.329 242 Y HA 0.409 4.972 4.550 0.021 0.000 0.328 242 Y C 0.571 176.443 175.900 -0.046 0.000 0.992 242 Y CA -1.001 57.114 58.100 0.025 0.000 1.151 242 Y CB 1.403 39.885 38.460 0.037 0.000 1.150 242 Y HN 0.813 nan 8.280 nan 0.000 0.450 243 N N 1.234 119.991 118.700 0.094 0.000 2.725 243 N HA -0.248 4.505 4.740 0.021 0.000 0.249 243 N C 0.367 175.800 175.510 -0.129 0.000 1.103 243 N CA 1.099 54.155 53.050 0.011 0.000 0.707 243 N CB -0.911 37.519 38.487 -0.094 0.000 1.043 243 N HN 0.791 nan 8.380 nan 0.000 0.553 244 A N -1.442 121.409 122.820 0.051 0.000 2.048 244 A HA 0.184 4.517 4.320 0.021 0.000 0.197 244 A C 0.799 178.647 177.584 0.439 0.000 1.486 244 A CA 0.520 52.623 52.037 0.111 0.000 1.029 244 A CB 0.439 19.430 19.000 -0.016 0.000 1.101 244 A HN 0.162 nan 8.150 nan 0.000 0.470 245 T N 2.275 117.032 114.554 0.337 0.000 2.749 245 T HA 0.391 4.754 4.350 0.021 0.000 0.295 245 T C 0.097 174.971 174.700 0.290 0.000 0.936 245 T CA -0.180 62.089 62.100 0.281 0.000 1.060 245 T CB 0.496 69.458 68.868 0.157 0.000 0.904 245 T HN 0.341 nan 8.240 nan 0.000 0.500 246 R N 1.850 122.453 120.500 0.172 0.000 2.543 246 R HA 0.350 4.702 4.340 0.021 0.000 0.277 246 R C -0.386 175.876 176.300 -0.062 0.000 1.074 246 R CA -0.332 55.710 56.100 -0.097 0.000 1.076 246 R CB 0.483 30.668 30.300 -0.192 0.000 0.993 246 R HN 0.353 nan 8.270 nan 0.000 0.459 247 V N 4.079 123.922 119.914 -0.118 0.000 2.235 247 V HA 0.256 4.389 4.120 0.021 0.000 0.266 247 V C 1.108 177.105 176.094 -0.163 0.000 1.055 247 V CA 0.304 62.568 62.300 -0.060 0.000 0.844 247 V CB 0.062 31.920 31.823 0.059 0.000 1.097 247 V HN 1.137 nan 8.190 nan 0.000 0.453 248 G N 4.443 113.138 108.800 -0.174 0.000 2.672 248 G HA2 -0.375 3.598 3.960 0.021 0.000 0.324 248 G HA3 -0.375 3.598 3.960 0.021 0.000 0.324 248 G C 1.218 176.002 174.900 -0.193 0.000 1.286 248 G CA 0.930 45.915 45.100 -0.192 0.000 1.004 248 G HN 1.257 nan 8.290 nan 0.000 0.548 249 S N -0.023 115.577 115.700 -0.166 0.000 2.593 249 S HA 0.365 4.848 4.470 0.021 0.000 0.217 249 S C 2.239 176.797 174.600 -0.071 0.000 0.966 249 S CA 1.057 59.184 58.200 -0.121 0.000 0.914 249 S CB 0.189 63.336 63.200 -0.090 0.000 0.776 249 S HN 0.574 nan 8.310 nan 0.000 0.523 250 L N 0.884 122.056 121.223 -0.084 0.000 2.313 250 L HA 0.318 4.671 4.340 0.021 0.000 0.214 250 L C 1.710 178.642 176.870 0.103 0.000 1.119 250 L CA 0.655 55.505 54.840 0.017 0.000 0.809 250 L CB -0.626 41.452 42.059 0.031 0.000 0.933 250 L HN 0.688 nan 8.230 nan 0.000 0.449 251 G N -1.659 107.070 108.800 -0.119 0.000 2.204 251 G HA2 -0.122 3.851 3.960 0.021 0.000 0.153 251 G HA3 -0.122 3.851 3.960 0.021 0.000 0.153 251 G C -1.645 172.942 174.900 -0.523 0.000 1.295 251 G CA -0.673 44.199 45.100 -0.380 0.000 1.257 251 G HN -0.020 nan 8.290 nan 0.000 0.495 252 W N 0.633 122.008 121.300 0.126 0.000 2.882 252 W HA 0.707 5.379 4.660 0.021 0.000 0.345 252 W C 0.254 176.840 176.519 0.113 0.000 1.125 252 W CA -0.432 56.980 57.345 0.111 0.000 1.167 252 W CB 2.106 31.636 29.460 0.117 0.000 1.431 252 W HN 1.018 nan 8.180 nan 0.000 0.543 253 A N 2.120 125.129 122.820 0.315 0.000 2.354 253 A HA 0.152 4.485 4.320 0.021 0.000 0.281 253 A C 1.038 178.718 177.584 0.161 0.000 1.174 253 A CA -0.223 51.930 52.037 0.193 0.000 0.828 253 A CB 0.174 19.245 19.000 0.120 0.000 1.099 253 A HN 0.665 nan 8.150 nan 0.000 0.516 254 N N 1.050 119.835 118.700 0.142 0.000 2.060 254 N HA -0.149 4.604 4.740 0.021 0.000 0.195 254 N C 0.511 176.050 175.510 0.048 0.000 1.028 254 N CA 1.686 54.806 53.050 0.117 0.000 0.861 254 N CB -0.086 38.468 38.487 0.112 0.000 1.029 254 N HN 0.790 nan 8.380 nan 0.000 0.428 255 K N -0.515 119.864 120.400 -0.035 0.000 2.501 255 K HA 0.605 4.938 4.320 0.021 0.000 0.252 255 K C -1.896 174.617 176.600 -0.146 0.000 0.934 255 K CA -0.585 55.563 56.287 -0.231 0.000 0.797 255 K CB 2.137 34.484 32.500 -0.255 0.000 1.270 255 K HN 0.001 nan 8.250 nan 0.000 0.431 256 A N 3.159 125.867 122.820 -0.186 0.000 2.454 256 A HA 0.519 4.852 4.320 0.021 0.000 0.302 256 A C -1.589 175.916 177.584 -0.132 0.000 1.079 256 A CA -0.731 51.248 52.037 -0.097 0.000 0.731 256 A CB 1.823 20.806 19.000 -0.027 0.000 1.299 256 A HN 0.698 nan 8.150 nan 0.000 0.413 257 Q N 1.561 121.313 119.800 -0.081 0.000 2.339 257 Q HA 0.360 4.712 4.340 0.021 0.000 0.268 257 Q C -1.225 174.718 176.000 -0.094 0.000 1.027 257 Q CA -0.705 55.025 55.803 -0.122 0.000 0.759 257 Q CB 1.646 30.423 28.738 0.065 0.000 1.244 257 Q HN 0.695 nan 8.270 nan 0.000 0.464 258 N N 2.153 120.729 118.700 -0.207 0.000 2.399 258 N HA 0.524 5.277 4.740 0.021 0.000 0.295 258 N C -1.476 174.059 175.510 0.041 0.000 1.048 258 N CA -0.287 52.731 53.050 -0.053 0.000 0.886 258 N CB 1.438 39.910 38.487 -0.025 0.000 1.185 258 N HN 0.433 nan 8.380 nan 0.000 0.487 259 F N 0.569 120.526 119.950 0.011 0.000 2.574 259 F HA 0.377 4.917 4.527 0.022 0.000 0.313 259 F C -0.991 174.842 175.800 0.055 0.000 1.130 259 F CA -0.596 57.476 58.000 0.120 0.000 0.936 259 F CB 1.523 40.667 39.000 0.240 0.000 1.219 259 F HN 0.358 nan 8.300 nan 0.000 0.445 260 E N 4.420 124.200 120.200 -0.700 0.000 2.272 260 E HA 0.777 5.140 4.350 0.021 0.000 0.269 260 E C -1.489 174.676 176.600 -0.726 0.000 0.877 260 E CA -1.246 54.832 56.400 -0.537 0.000 0.755 260 E CB 2.206 31.775 29.700 -0.218 0.000 1.192 260 E HN 0.702 nan 8.360 nan 0.000 0.422 261 A N 2.022 124.601 122.820 -0.401 0.000 2.475 261 A HA 0.765 5.098 4.320 0.021 0.000 0.301 261 A C -1.463 176.119 177.584 -0.004 0.000 1.059 261 A CA -0.710 51.226 52.037 -0.169 0.000 0.710 261 A CB 2.019 21.021 19.000 0.004 0.000 1.288 261 A HN 0.362 nan 8.150 nan 0.000 0.408 262 V N 0.698 120.634 119.914 0.037 0.000 2.888 262 V HA 0.851 4.984 4.120 0.021 0.000 0.309 262 V C -0.714 175.439 176.094 0.099 0.000 1.114 262 V CA 0.181 62.535 62.300 0.090 0.000 0.940 262 V CB 1.901 33.801 31.823 0.129 0.000 1.021 262 V HN 1.991 nan 8.190 nan 0.000 0.426 263 A N 5.680 128.566 122.820 0.110 0.000 2.359 263 A HA 0.921 5.254 4.320 0.021 0.000 0.303 263 A C -0.898 176.763 177.584 0.128 0.000 1.066 263 A CA -0.578 51.522 52.037 0.106 0.000 0.730 263 A CB 1.684 20.732 19.000 0.080 0.000 1.211 263 A HN 0.840 nan 8.150 nan 0.000 0.439 264 Q N 0.281 120.171 119.800 0.150 0.000 2.421 264 Q HA 0.564 4.917 4.340 0.021 0.000 0.280 264 Q C -2.005 174.070 176.000 0.124 0.000 1.085 264 Q CA -0.677 55.202 55.803 0.126 0.000 0.807 264 Q CB 3.000 31.797 28.738 0.098 0.000 1.405 264 Q HN 0.744 nan 8.270 nan 0.000 0.419 265 Y N 0.777 121.028 120.300 -0.082 0.000 2.457 265 Y HA 0.331 4.894 4.550 0.022 0.000 0.343 265 Y C -1.309 174.425 175.900 -0.276 0.000 0.994 265 Y CA -0.722 57.255 58.100 -0.204 0.000 1.031 265 Y CB 2.172 40.439 38.460 -0.321 0.000 1.246 265 Y HN 0.539 nan 8.280 nan 0.000 0.449 266 Q N 4.994 124.328 119.800 -0.777 0.000 2.368 266 Q HA 0.394 4.747 4.340 0.021 0.000 0.256 266 Q C -1.868 173.786 176.000 -0.578 0.000 0.980 266 Q CA -0.283 55.213 55.803 -0.512 0.000 0.887 266 Q CB 0.262 28.757 28.738 -0.404 0.000 1.221 266 Q HN 0.550 nan 8.270 nan 0.000 0.458 267 F N 2.404 122.269 119.950 -0.142 0.000 2.418 267 F HA 0.082 4.621 4.527 0.021 0.000 0.341 267 F C 1.520 177.218 175.800 -0.170 0.000 1.120 267 F CA -0.088 57.873 58.000 -0.066 0.000 1.232 267 F CB 0.718 39.591 39.000 -0.212 0.000 1.175 267 F HN 0.704 nan 8.300 nan 0.000 0.569 268 D N 2.092 122.623 120.400 0.219 0.000 2.133 268 D HA -0.314 4.339 4.640 0.021 0.000 0.195 268 D C 1.642 178.025 176.300 0.139 0.000 0.997 268 D CA 1.794 55.881 54.000 0.144 0.000 0.840 268 D CB -1.231 39.696 40.800 0.211 0.000 0.947 268 D HN 0.548 nan 8.370 nan 0.000 0.452 269 F N -1.182 118.864 119.950 0.160 0.000 2.748 269 F HA 0.456 4.995 4.527 0.021 0.000 0.299 269 F C 1.677 177.547 175.800 0.117 0.000 1.154 269 F CA 0.279 58.360 58.000 0.136 0.000 1.446 269 F CB 0.101 39.185 39.000 0.140 0.000 1.112 269 F HN 0.204 nan 8.300 nan 0.000 0.584 270 G N 0.493 109.070 108.800 -0.372 0.000 2.260 270 G HA2 -0.174 3.798 3.960 0.021 0.000 0.179 270 G HA3 -0.174 3.798 3.960 0.021 0.000 0.179 270 G C -0.406 174.288 174.900 -0.342 0.000 1.002 270 G CA -0.194 44.675 45.100 -0.385 0.000 0.677 270 G HN 0.433 nan 8.290 nan 0.000 0.486 271 L N 1.680 122.662 121.223 -0.401 0.000 2.331 271 L HA 0.776 5.129 4.340 0.021 0.000 0.278 271 L C 0.583 177.527 176.870 0.123 0.000 1.106 271 L CA -0.375 54.450 54.840 -0.024 0.000 0.824 271 L CB 0.859 42.892 42.059 -0.044 0.000 1.142 271 L HN 0.213 nan 8.230 nan 0.000 0.443 272 R N 6.816 127.404 120.500 0.147 0.000 2.513 272 R HA 0.434 4.787 4.340 0.021 0.000 0.283 272 R C -2.673 173.709 176.300 0.136 0.000 1.535 272 R CA -1.664 54.511 56.100 0.125 0.000 1.315 272 R CB 0.973 31.364 30.300 0.152 0.000 1.163 272 R HN 0.476 nan 8.270 nan 0.000 0.573 273 P HA 0.070 nan 4.420 nan 0.000 0.272 273 P C -0.890 176.486 177.300 0.126 0.000 1.230 273 P CA -0.163 63.037 63.100 0.166 0.000 0.788 273 P CB 1.593 33.420 31.700 0.211 0.000 0.949 274 S N 1.176 116.949 115.700 0.123 0.000 2.546 274 S HA 0.596 5.079 4.470 0.021 0.000 0.272 274 S C -1.692 172.981 174.600 0.122 0.000 1.140 274 S CA -0.588 57.679 58.200 0.111 0.000 0.920 274 S CB 0.449 63.703 63.200 0.091 0.000 1.083 274 S HN 0.305 nan 8.310 nan 0.000 0.476 275 L N 4.137 125.430 121.223 0.117 0.000 2.385 275 L HA 0.984 5.337 4.340 0.021 0.000 0.273 275 L C -0.575 176.366 176.870 0.119 0.000 0.990 275 L CA -0.035 54.877 54.840 0.119 0.000 0.821 275 L CB 1.430 43.552 42.059 0.105 0.000 1.279 275 L HN 0.918 nan 8.230 nan 0.000 0.412 276 A N 3.738 126.634 122.820 0.128 0.000 2.587 276 A HA 0.743 5.076 4.320 0.021 0.000 0.293 276 A C -2.285 175.381 177.584 0.136 0.000 1.087 276 A CA -0.465 51.640 52.037 0.112 0.000 0.692 276 A CB 1.368 20.419 19.000 0.084 0.000 1.291 276 A HN 0.680 nan 8.150 nan 0.000 0.407 277 Y N 0.654 120.927 120.300 -0.046 0.000 2.421 277 Y HA 0.701 5.263 4.550 0.022 0.000 0.339 277 Y C -1.892 173.905 175.900 -0.172 0.000 0.996 277 Y CA -0.962 57.089 58.100 -0.082 0.000 1.046 277 Y CB 1.615 40.099 38.460 0.041 0.000 1.226 277 Y HN 0.603 nan 8.280 nan 0.000 0.445 278 L N 6.030 126.650 121.223 -1.005 0.000 2.410 278 L HA 0.593 4.946 4.340 0.021 0.000 0.270 278 L C -1.263 175.101 176.870 -0.844 0.000 0.983 278 L CA -0.476 53.874 54.840 -0.816 0.000 0.822 278 L CB 2.304 43.828 42.059 -0.891 0.000 1.285 278 L HN 0.717 nan 8.230 nan 0.000 0.409 279 Q N 0.984 120.549 119.800 -0.392 0.000 2.379 279 Q HA 0.797 5.150 4.340 0.021 0.000 0.278 279 Q C -1.255 174.729 176.000 -0.027 0.000 1.068 279 Q CA -0.811 54.880 55.803 -0.186 0.000 0.816 279 Q CB 2.294 31.007 28.738 -0.042 0.000 1.387 279 Q HN 0.385 nan 8.270 nan 0.000 0.413 280 S N 1.371 117.066 115.700 -0.009 0.000 2.756 280 S HA 0.418 4.901 4.470 0.021 0.000 0.303 280 S C -1.342 173.277 174.600 0.031 0.000 1.135 280 S CA -0.691 57.521 58.200 0.019 0.000 1.066 280 S CB 0.646 63.858 63.200 0.020 0.000 1.008 280 S HN 0.505 nan 8.310 nan 0.000 0.482 281 K N 3.306 123.725 120.400 0.032 0.000 2.293 281 K HA 0.419 4.751 4.320 0.021 0.000 0.267 281 K C 0.356 176.955 176.600 -0.000 0.000 1.010 281 K CA -0.599 55.701 56.287 0.021 0.000 0.875 281 K CB 1.561 34.084 32.500 0.038 0.000 1.106 281 K HN 0.679 nan 8.250 nan 0.000 0.450 282 G N 2.975 111.765 108.800 -0.017 0.000 2.395 282 G HA2 0.263 4.236 3.960 0.021 0.000 0.283 282 G HA3 0.263 4.236 3.960 0.021 0.000 0.283 282 G C -0.446 174.427 174.900 -0.044 0.000 1.178 282 G CA -0.482 44.603 45.100 -0.026 0.000 0.837 282 G HN 0.354 nan 8.290 nan 0.000 0.518 283 K N 1.261 121.645 120.400 -0.028 0.000 2.371 283 K HA 0.252 4.585 4.320 0.021 0.000 0.251 283 K C -0.073 176.530 176.600 0.005 0.000 0.934 283 K CA -1.103 55.173 56.287 -0.019 0.000 0.798 283 K CB 1.883 34.373 32.500 -0.018 0.000 1.204 283 K HN 0.602 nan 8.250 nan 0.000 0.427 284 N N 1.786 120.494 118.700 0.013 0.000 2.705 284 N HA -0.183 4.569 4.740 0.021 0.000 0.255 284 N C 0.124 175.673 175.510 0.065 0.000 1.008 284 N CA 0.095 53.167 53.050 0.037 0.000 0.742 284 N CB -0.609 37.904 38.487 0.043 0.000 0.906 284 N HN 0.520 nan 8.380 nan 0.000 0.541 285 L N -0.351 120.916 121.223 0.074 0.000 2.217 285 L HA 0.278 4.631 4.340 0.021 0.000 0.211 285 L C 1.888 178.874 176.870 0.193 0.000 1.107 285 L CA 1.982 56.904 54.840 0.137 0.000 0.783 285 L CB -1.570 40.566 42.059 0.129 0.000 0.919 285 L HN 0.746 nan 8.230 nan 0.000 0.442 286 G N -0.877 108.012 108.800 0.149 0.000 2.603 286 G HA2 -0.191 3.782 3.960 0.021 0.000 0.686 286 G HA3 -0.191 3.782 3.960 0.021 0.000 0.686 286 G C 0.086 175.005 174.900 0.032 0.000 1.286 286 G CA -0.442 44.722 45.100 0.106 0.000 0.871 286 G HN 0.199 nan 8.290 nan 0.000 0.568 287 R N -1.038 119.425 120.500 -0.063 0.000 3.516 287 R HA -0.144 4.209 4.340 0.021 0.000 0.271 287 R C 1.692 177.765 176.300 -0.378 0.000 1.098 287 R CA 1.889 57.849 56.100 -0.234 0.000 0.732 287 R CB -1.797 28.301 30.300 -0.336 0.000 1.152 287 R HN 2.794 nan 8.270 nan 0.000 0.455 288 G N -1.341 107.350 108.800 -0.182 0.000 2.168 288 G HA2 -0.393 3.580 3.960 0.021 0.000 0.263 288 G HA3 -0.393 3.580 3.960 0.021 0.000 0.263 288 G C 0.400 175.253 174.900 -0.078 0.000 0.977 288 G CA 0.725 45.748 45.100 -0.128 0.000 0.659 288 G HN 0.446 nan 8.290 nan 0.000 0.533 289 Y N 0.526 120.829 120.300 0.005 0.000 2.457 289 Y HA 0.143 4.706 4.550 0.022 0.000 0.292 289 Y C 2.050 177.879 175.900 -0.117 0.000 1.125 289 Y CA 0.109 58.177 58.100 -0.054 0.000 1.254 289 Y CB -0.108 38.320 38.460 -0.054 0.000 1.012 289 Y HN 0.362 nan 8.280 nan 0.000 0.555 290 D N -0.566 119.877 120.400 0.071 0.000 3.608 290 D HA -0.263 4.389 4.640 0.021 0.000 0.152 290 D C -0.517 175.762 176.300 -0.034 0.000 0.971 290 D CA 1.716 55.724 54.000 0.014 0.000 1.072 290 D CB -1.019 39.783 40.800 0.003 0.000 0.507 290 D HN 0.150 nan 8.370 nan 0.000 0.520 291 D N 2.173 122.537 120.400 -0.059 0.000 2.177 291 D HA 0.546 5.199 4.640 0.021 0.000 0.247 291 D C -0.009 176.183 176.300 -0.179 0.000 1.063 291 D CA 0.150 54.093 54.000 -0.095 0.000 0.867 291 D CB 0.971 41.741 40.800 -0.051 0.000 1.168 291 D HN 0.114 nan 8.370 nan 0.000 0.445 292 E N 0.943 120.986 120.200 -0.261 0.000 2.343 292 E HA 0.212 4.575 4.350 0.021 0.000 0.278 292 E C -1.227 175.260 176.600 -0.188 0.000 0.910 292 E CA -0.740 55.432 56.400 -0.381 0.000 0.757 292 E CB 1.923 30.940 29.700 -1.138 0.000 1.218 292 E HN 0.212 nan 8.360 nan 0.000 0.435 293 D N 2.192 122.554 120.400 -0.063 0.000 2.371 293 D HA 0.163 4.816 4.640 0.021 0.000 0.256 293 D C 1.199 177.578 176.300 0.133 0.000 1.193 293 D CA 0.069 54.088 54.000 0.032 0.000 0.881 293 D CB 0.991 41.822 40.800 0.052 0.000 1.143 293 D HN 0.384 nan 8.370 nan 0.000 0.473 294 I N 1.470 122.115 120.570 0.125 0.000 2.703 294 I HA 0.005 4.188 4.170 0.021 0.000 0.259 294 I C 0.534 176.702 176.117 0.085 0.000 1.151 294 I CA 0.453 61.852 61.300 0.164 0.000 1.470 294 I CB 0.232 38.305 38.000 0.121 0.000 1.112 294 I HN 0.171 nan 8.210 nan 0.000 0.437 295 L N 0.315 121.571 121.223 0.055 0.000 2.505 295 L HA 0.483 4.836 4.340 0.021 0.000 0.259 295 L C -1.157 175.713 176.870 0.000 0.000 0.952 295 L CA -0.332 54.532 54.840 0.039 0.000 0.840 295 L CB 1.799 43.872 42.059 0.023 0.000 1.358 295 L HN -0.103 nan 8.230 nan 0.000 0.409 296 K N 4.080 124.491 120.400 0.018 0.000 2.610 296 K HA 0.463 4.796 4.320 0.021 0.000 0.274 296 K C -2.278 174.336 176.600 0.024 0.000 1.049 296 K CA -0.541 55.709 56.287 -0.062 0.000 0.945 296 K CB 1.101 33.614 32.500 0.022 0.000 1.313 296 K HN 0.633 nan 8.250 nan 0.000 0.463 297 Y N -0.409 119.751 120.300 -0.233 0.000 2.592 297 Y HA 0.601 5.164 4.550 0.021 0.000 0.334 297 Y C -1.748 174.076 175.900 -0.127 0.000 1.136 297 Y CA -1.208 56.796 58.100 -0.160 0.000 1.042 297 Y CB 1.047 39.396 38.460 -0.185 0.000 1.325 297 Y HN -0.019 nan 8.280 nan 0.000 0.457 298 V N 2.359 122.375 119.914 0.170 0.000 2.532 298 V HA 0.380 4.513 4.120 0.021 0.000 0.295 298 V C -1.023 175.188 176.094 0.195 0.000 1.041 298 V CA -0.289 62.119 62.300 0.180 0.000 0.926 298 V CB 1.608 33.532 31.823 0.168 0.000 0.992 298 V HN 0.868 nan 8.190 nan 0.000 0.457 299 D N 2.394 122.912 120.400 0.196 0.000 2.502 299 D HA 0.586 5.238 4.640 0.021 0.000 0.249 299 D C -1.377 175.029 176.300 0.176 0.000 1.092 299 D CA -0.227 53.907 54.000 0.222 0.000 0.839 299 D CB 2.050 43.051 40.800 0.335 0.000 1.264 299 D HN 0.401 nan 8.370 nan 0.000 0.511 300 V N 3.486 123.509 119.914 0.182 0.000 2.638 300 V HA 0.983 5.115 4.120 0.021 0.000 0.306 300 V C -0.168 176.065 176.094 0.231 0.000 1.052 300 V CA 0.202 62.615 62.300 0.189 0.000 0.885 300 V CB 1.064 32.993 31.823 0.177 0.000 0.999 300 V HN 0.701 nan 8.190 nan 0.000 0.424 301 G N 4.072 112.986 108.800 0.191 0.000 2.548 301 G HA2 0.926 4.899 3.960 0.021 0.000 0.301 301 G HA3 0.926 4.899 3.960 0.021 0.000 0.301 301 G C -1.304 173.686 174.900 0.150 0.000 1.349 301 G CA -0.126 45.084 45.100 0.184 0.000 0.792 301 G HN 1.662 nan 8.290 nan 0.000 0.481 302 A N -0.863 122.043 122.820 0.144 0.000 2.574 302 A HA 0.853 5.186 4.320 0.021 0.000 0.297 302 A C -0.623 177.026 177.584 0.108 0.000 1.062 302 A CA -0.380 51.733 52.037 0.127 0.000 0.686 302 A CB 1.611 20.698 19.000 0.144 0.000 1.285 302 A HN 1.076 nan 8.150 nan 0.000 0.403 303 T N 1.240 115.818 114.554 0.039 0.000 2.823 303 T HA 0.541 4.904 4.350 0.021 0.000 0.279 303 T C -1.357 173.259 174.700 -0.140 0.000 0.998 303 T CA -0.038 62.005 62.100 -0.095 0.000 0.994 303 T CB 0.961 69.624 68.868 -0.342 0.000 0.960 303 T HN 0.537 nan 8.240 nan 0.000 0.448 304 Y N 2.848 122.953 120.300 -0.325 0.000 2.334 304 Y HA 0.474 5.037 4.550 0.022 0.000 0.336 304 Y C -1.381 174.203 175.900 -0.526 0.000 0.960 304 Y CA -1.511 56.369 58.100 -0.366 0.000 1.164 304 Y CB 0.501 38.747 38.460 -0.356 0.000 1.155 304 Y HN 0.609 nan 8.280 nan 0.000 0.478 305 Y N 7.241 127.108 120.300 -0.722 0.000 2.425 305 Y HA 0.170 4.733 4.550 0.021 0.000 0.347 305 Y C 0.456 175.914 175.900 -0.736 0.000 0.976 305 Y CA -0.354 57.436 58.100 -0.516 0.000 1.190 305 Y CB 0.172 38.448 38.460 -0.307 0.000 1.136 305 Y HN 0.673 nan 8.280 nan 0.000 0.517 306 F N 1.284 121.138 119.950 -0.160 0.000 2.075 306 F HA -0.202 4.338 4.527 0.021 0.000 0.297 306 F C 1.036 176.840 175.800 0.007 0.000 1.113 306 F CA 1.330 59.321 58.000 -0.015 0.000 1.218 306 F CB -0.187 38.890 39.000 0.128 0.000 0.984 306 F HN 0.579 nan 8.300 nan 0.000 0.472 307 N N -2.018 116.825 118.700 0.238 0.000 3.588 307 N HA 0.140 4.893 4.740 0.021 0.000 0.340 307 N C -0.047 175.526 175.510 0.105 0.000 1.609 307 N CA -0.722 52.403 53.050 0.125 0.000 0.811 307 N CB 0.248 38.807 38.487 0.120 0.000 2.184 307 N HN -0.231 nan 8.380 nan 0.000 0.577 308 K N -0.694 119.734 120.400 0.046 0.000 2.362 308 K HA 0.078 4.411 4.320 0.021 0.000 0.200 308 K C 0.188 176.802 176.600 0.024 0.000 1.046 308 K CA 1.322 57.616 56.287 0.011 0.000 0.952 308 K CB -0.396 32.093 32.500 -0.018 0.000 0.753 308 K HN 0.447 nan 8.250 nan 0.000 0.466 309 N N -0.683 118.044 118.700 0.046 0.000 2.220 309 N HA 0.089 4.842 4.740 0.021 0.000 0.195 309 N C -0.564 174.949 175.510 0.005 0.000 1.123 309 N CA -0.014 53.017 53.050 -0.032 0.000 0.874 309 N CB 0.618 39.096 38.487 -0.014 0.000 0.995 309 N HN -0.048 nan 8.380 nan 0.000 0.498 310 M N 0.639 120.332 119.600 0.155 0.000 2.322 310 M HA 0.406 4.899 4.480 0.021 0.000 0.286 310 M C -1.682 174.857 176.300 0.399 0.000 1.111 310 M CA -0.479 54.971 55.300 0.251 0.000 0.941 310 M CB 1.808 34.540 32.600 0.221 0.000 1.671 310 M HN 0.043 nan 8.290 nan 0.000 0.470 311 S N 1.608 117.522 115.700 0.357 0.000 2.625 311 S HA 0.934 5.417 4.470 0.021 0.000 0.271 311 S C -0.993 173.763 174.600 0.260 0.000 1.161 311 S CA -0.707 57.638 58.200 0.242 0.000 0.820 311 S CB 2.100 65.261 63.200 -0.064 0.000 1.137 311 S HN 0.822 nan 8.310 nan 0.000 0.470 312 T N 0.715 115.353 114.554 0.140 0.000 2.903 312 T HA 0.773 5.136 4.350 0.021 0.000 0.299 312 T C -2.016 172.724 174.700 0.067 0.000 1.093 312 T CA -0.612 61.543 62.100 0.092 0.000 1.002 312 T CB 1.146 70.138 68.868 0.207 0.000 1.127 312 T HN 1.160 nan 8.240 nan 0.000 0.488 313 Y N 0.391 120.703 120.300 0.019 0.000 2.581 313 Y HA 0.811 5.373 4.550 0.021 0.000 0.337 313 Y C -1.639 174.289 175.900 0.046 0.000 1.108 313 Y CA -1.330 56.771 58.100 0.002 0.000 1.033 313 Y CB 1.044 39.481 38.460 -0.038 0.000 1.318 313 Y HN 0.493 nan 8.280 nan 0.000 0.459 314 V N 2.152 122.239 119.914 0.289 0.000 2.604 314 V HA 0.633 4.765 4.120 0.021 0.000 0.305 314 V C -1.707 174.560 176.094 0.289 0.000 1.043 314 V CA -0.209 62.243 62.300 0.253 0.000 0.888 314 V CB 1.706 33.619 31.823 0.150 0.000 0.995 314 V HN 0.911 nan 8.190 nan 0.000 0.429 315 D N 4.214 124.796 120.400 0.304 0.000 2.787 315 D HA 0.345 4.998 4.640 0.021 0.000 0.246 315 D C -1.980 174.598 176.300 0.463 0.000 1.150 315 D CA -0.137 54.048 54.000 0.309 0.000 0.864 315 D CB 1.799 42.689 40.800 0.151 0.000 1.481 315 D HN 0.478 nan 8.370 nan 0.000 0.509 316 Y N 2.946 123.400 120.300 0.255 0.000 2.345 316 Y HA 0.321 4.884 4.550 0.021 0.000 0.331 316 Y C -0.608 175.350 175.900 0.097 0.000 0.959 316 Y CA -1.202 57.002 58.100 0.174 0.000 1.204 316 Y CB 0.953 39.484 38.460 0.119 0.000 1.135 316 Y HN 0.245 nan 8.280 nan 0.000 0.477 317 K N 7.818 128.190 120.400 -0.048 0.000 2.273 317 K HA 0.391 4.723 4.320 0.021 0.000 0.287 317 K C -0.939 175.366 176.600 -0.493 0.000 1.089 317 K CA -0.242 55.772 56.287 -0.454 0.000 0.909 317 K CB 0.057 31.891 32.500 -1.110 0.000 1.123 317 K HN 0.735 nan 8.250 nan 0.000 0.473 318 I N 4.458 124.773 120.570 -0.426 0.000 2.269 318 I HA 0.031 4.213 4.170 0.021 0.000 0.293 318 I C 0.178 176.214 176.117 -0.134 0.000 1.106 318 I CA -0.569 60.503 61.300 -0.381 0.000 1.248 318 I CB 0.339 38.143 38.000 -0.327 0.000 1.444 318 I HN 0.513 nan 8.210 nan 0.000 0.497 319 N N 7.002 125.618 118.700 -0.140 0.000 2.415 319 N HA 0.201 4.954 4.740 0.021 0.000 0.246 319 N C 0.557 176.063 175.510 -0.006 0.000 1.078 319 N CA -0.050 52.962 53.050 -0.064 0.000 0.942 319 N CB 1.114 39.528 38.487 -0.122 0.000 1.140 319 N HN 0.562 nan 8.380 nan 0.000 0.501 320 L N 3.012 124.261 121.223 0.043 0.000 2.558 320 L HA 0.168 4.521 4.340 0.021 0.000 0.225 320 L C 0.840 177.739 176.870 0.048 0.000 1.128 320 L CA 0.103 54.975 54.840 0.054 0.000 0.868 320 L CB -0.100 42.018 42.059 0.097 0.000 1.006 320 L HN 0.357 nan 8.230 nan 0.000 0.454 321 L N 0.554 121.801 121.223 0.041 0.000 2.483 321 L HA 0.049 4.402 4.340 0.021 0.000 0.276 321 L C -0.195 176.695 176.870 0.032 0.000 1.213 321 L CA 0.206 55.070 54.840 0.041 0.000 0.843 321 L CB 0.236 42.317 42.059 0.036 0.000 1.107 321 L HN 0.044 nan 8.230 nan 0.000 0.487 322 D N 0.766 121.191 120.400 0.041 0.000 2.163 322 D HA 0.118 4.771 4.640 0.021 0.000 0.248 322 D C -0.594 175.728 176.300 0.037 0.000 1.035 322 D CA -0.402 53.619 54.000 0.036 0.000 0.872 322 D CB 1.666 42.490 40.800 0.039 0.000 1.183 322 D HN 0.406 nan 8.370 nan 0.000 0.445 323 D N 1.296 121.711 120.400 0.025 0.000 2.363 323 D HA 0.075 4.728 4.640 0.021 0.000 0.263 323 D C -0.362 175.959 176.300 0.036 0.000 1.258 323 D CA 0.104 54.116 54.000 0.021 0.000 0.907 323 D CB -0.003 40.804 40.800 0.012 0.000 1.107 323 D HN 0.344 nan 8.370 nan 0.000 0.495 324 N N 1.799 120.528 118.700 0.049 0.000 3.157 324 N HA 0.163 4.916 4.740 0.021 0.000 0.291 324 N C 0.436 175.995 175.510 0.081 0.000 1.515 324 N CA -0.704 52.390 53.050 0.073 0.000 0.807 324 N CB 0.441 38.988 38.487 0.100 0.000 1.672 324 N HN 0.110 nan 8.380 nan 0.000 0.592 325 Q N -0.599 119.271 119.800 0.118 0.000 2.084 325 Q HA 0.054 4.407 4.340 0.021 0.000 0.202 325 Q C 1.438 177.532 176.000 0.156 0.000 0.978 325 Q CA 1.616 57.499 55.803 0.135 0.000 0.844 325 Q CB -0.624 28.216 28.738 0.170 0.000 0.898 325 Q HN 0.643 nan 8.270 nan 0.000 0.426 326 F N 0.529 120.491 119.950 0.020 0.000 2.069 326 F HA -0.218 4.322 4.527 0.021 0.000 0.298 326 F C 2.176 177.873 175.800 -0.172 0.000 1.113 326 F CA 2.416 60.311 58.000 -0.176 0.000 1.214 326 F CB -0.988 37.862 39.000 -0.250 0.000 0.978 326 F HN 0.271 nan 8.300 nan 0.000 0.474 327 T N -1.326 113.087 114.554 -0.235 0.000 2.777 327 T HA -0.161 4.202 4.350 0.021 0.000 0.266 327 T C 2.139 176.687 174.700 -0.254 0.000 1.040 327 T CA 1.343 63.245 62.100 -0.329 0.000 1.141 327 T CB -0.648 68.157 68.868 -0.104 0.000 0.868 327 T HN 0.331 nan 8.240 nan 0.000 0.444 328 R N 1.253 121.673 120.500 -0.133 0.000 2.083 328 R HA -0.096 4.257 4.340 0.021 0.000 0.237 328 R C 2.395 178.626 176.300 -0.115 0.000 1.137 328 R CA 1.904 57.949 56.100 -0.091 0.000 0.951 328 R CB -0.483 29.799 30.300 -0.030 0.000 0.851 328 R HN 0.420 nan 8.270 nan 0.000 0.434 329 D N 0.134 120.462 120.400 -0.118 0.000 2.123 329 D HA -0.135 4.518 4.640 0.021 0.000 0.196 329 D C 1.572 177.762 176.300 -0.184 0.000 0.992 329 D CA 1.632 55.578 54.000 -0.091 0.000 0.833 329 D CB -0.118 40.697 40.800 0.025 0.000 0.954 329 D HN 0.309 nan 8.370 nan 0.000 0.455 330 A N -0.610 121.989 122.820 -0.368 0.000 2.132 330 A HA 0.409 4.742 4.320 0.021 0.000 0.213 330 A C 1.744 179.169 177.584 -0.265 0.000 1.154 330 A CA 1.101 52.907 52.037 -0.386 0.000 0.753 330 A CB -0.045 18.538 19.000 -0.695 0.000 0.826 330 A HN 0.252 nan 8.150 nan 0.000 0.469 331 G N -0.591 108.076 108.800 -0.222 0.000 2.160 331 G HA2 -0.216 3.757 3.960 0.021 0.000 0.244 331 G HA3 -0.216 3.757 3.960 0.021 0.000 0.244 331 G C 0.037 174.845 174.900 -0.154 0.000 1.022 331 G CA 0.275 45.282 45.100 -0.155 0.000 0.741 331 G HN 0.458 nan 8.290 nan 0.000 0.508 332 I N 0.594 121.048 120.570 -0.193 0.000 2.441 332 I HA 0.155 4.337 4.170 0.021 0.000 0.287 332 I C 0.765 176.815 176.117 -0.111 0.000 1.049 332 I CA -0.787 60.419 61.300 -0.157 0.000 1.381 332 I CB 0.908 38.797 38.000 -0.186 0.000 1.409 332 I HN 0.202 nan 8.210 nan 0.000 0.523 333 N N 3.753 122.397 118.700 -0.093 0.000 2.475 333 N HA 0.032 4.785 4.740 0.021 0.000 0.267 333 N C 0.662 176.126 175.510 -0.077 0.000 1.169 333 N CA 0.090 53.090 53.050 -0.083 0.000 0.947 333 N CB 0.808 39.238 38.487 -0.094 0.000 1.061 333 N HN 0.696 nan 8.380 nan 0.000 0.466 334 T N -1.429 113.090 114.554 -0.059 0.000 3.044 334 T HA 0.219 4.582 4.350 0.021 0.000 0.260 334 T C -0.077 174.595 174.700 -0.046 0.000 1.019 334 T CA -0.357 61.717 62.100 -0.043 0.000 0.921 334 T CB -0.018 68.838 68.868 -0.019 0.000 1.053 334 T HN 0.321 nan 8.240 nan 0.000 0.533 335 D N 2.733 123.100 120.400 -0.056 0.000 2.283 335 D HA 0.299 4.952 4.640 0.021 0.000 0.248 335 D C -0.226 176.023 176.300 -0.085 0.000 1.072 335 D CA -0.417 53.556 54.000 -0.044 0.000 0.929 335 D CB 0.887 41.675 40.800 -0.019 0.000 1.182 335 D HN 0.163 nan 8.370 nan 0.000 0.433 336 N N 0.559 119.232 118.700 -0.045 0.000 2.453 336 N HA 0.279 5.032 4.740 0.021 0.000 0.253 336 N C -0.197 175.300 175.510 -0.022 0.000 1.252 336 N CA 0.186 53.206 53.050 -0.051 0.000 0.917 336 N CB 0.850 39.385 38.487 0.080 0.000 1.117 336 N HN 0.307 nan 8.380 nan 0.000 0.442 337 I N 0.298 120.822 120.570 -0.075 0.000 2.569 337 I HA 0.289 4.472 4.170 0.021 0.000 0.290 337 I C -0.812 175.414 176.117 0.182 0.000 1.088 337 I CA -1.002 60.275 61.300 -0.037 0.000 1.047 337 I CB 2.085 39.883 38.000 -0.336 0.000 1.237 337 I HN -0.040 nan 8.210 nan 0.000 0.421 338 V N 4.426 124.508 119.914 0.281 0.000 2.459 338 V HA 0.751 4.883 4.120 0.021 0.000 0.295 338 V C 0.189 176.506 176.094 0.371 0.000 1.029 338 V CA -0.478 62.024 62.300 0.337 0.000 0.874 338 V CB 1.601 33.510 31.823 0.143 0.000 0.985 338 V HN 0.840 nan 8.190 nan 0.000 0.438 339 A N 5.642 128.654 122.820 0.320 0.000 2.330 339 A HA 0.891 5.224 4.320 0.021 0.000 0.327 339 A C -0.981 176.782 177.584 0.297 0.000 1.155 339 A CA -0.544 51.644 52.037 0.252 0.000 0.803 339 A CB 1.010 20.013 19.000 0.004 0.000 1.208 339 A HN 0.804 nan 8.150 nan 0.000 0.477 340 L N 2.192 123.580 121.223 0.274 0.000 2.356 340 L HA 0.712 5.065 4.340 0.021 0.000 0.277 340 L C 0.336 177.152 176.870 -0.090 0.000 0.996 340 L CA -0.379 54.539 54.840 0.129 0.000 0.822 340 L CB 2.225 44.434 42.059 0.251 0.000 1.256 340 L HN 0.882 nan 8.230 nan 0.000 0.413 341 G N 3.315 111.821 108.800 -0.489 0.000 2.620 341 G HA2 0.640 4.613 3.960 0.021 0.000 0.301 341 G HA3 0.640 4.613 3.960 0.021 0.000 0.301 341 G C -2.211 172.381 174.900 -0.514 0.000 1.347 341 G CA -0.424 44.238 45.100 -0.731 0.000 0.971 341 G HN 0.321 nan 8.290 nan 0.000 0.488 342 L N 2.021 123.092 121.223 -0.254 0.000 2.376 342 L HA 0.754 5.107 4.340 0.021 0.000 0.275 342 L C -1.013 175.833 176.870 -0.040 0.000 0.987 342 L CA -0.773 54.016 54.840 -0.086 0.000 0.828 342 L CB 2.137 44.182 42.059 -0.023 0.000 1.249 342 L HN 0.335 nan 8.230 nan 0.000 0.409 343 V N 5.324 125.263 119.914 0.041 0.000 2.483 343 V HA 0.378 4.511 4.120 0.021 0.000 0.297 343 V C -1.153 175.022 176.094 0.135 0.000 1.027 343 V CA -0.677 61.664 62.300 0.067 0.000 0.855 343 V CB 1.390 33.273 31.823 0.101 0.000 0.995 343 V HN 0.661 nan 8.190 nan 0.000 0.424 344 Y N 5.479 125.794 120.300 0.025 0.000 2.341 344 Y HA 0.699 5.260 4.550 0.020 0.000 0.337 344 Y C 0.009 175.957 175.900 0.081 0.000 1.014 344 Y CA -0.387 57.750 58.100 0.061 0.000 1.111 344 Y CB 1.438 39.931 38.460 0.055 0.000 1.194 344 Y HN 0.766 nan 8.280 nan 0.000 0.462 345 Q N 5.902 125.247 119.800 -0.758 0.000 2.501 345 Q HA 0.659 5.012 4.340 0.021 0.000 0.288 345 Q C -1.840 173.810 176.000 -0.583 0.000 1.051 345 Q CA -0.944 54.517 55.803 -0.571 0.000 0.788 345 Q CB 2.996 31.574 28.738 -0.267 0.000 1.469 345 Q HN 0.688 nan 8.270 nan 0.000 0.416 346 F N 0.000 119.776 119.950 -0.290 0.000 2.286 346 F HA 0.000 4.540 4.527 0.021 0.000 0.279 346 F CA 0.000 57.928 58.000 -0.120 0.000 1.383 346 F CB 0.000 38.997 39.000 -0.005 0.000 1.145 346 F HN 0.000 nan 8.300 nan 0.000 0.574