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 1ars_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGVYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGTGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRAN YSNPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VAXVL 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.089 176.300 -0.352 0.000 1.140 5 M CA 0.000 55.050 55.300 -0.417 0.000 0.988 5 M CB 0.000 32.488 32.600 -0.187 0.000 1.302 6 F N -0.713 119.237 119.950 -0.001 0.000 2.724 6 F HA 0.372 4.915 4.527 0.025 0.000 0.310 6 F C 1.617 177.417 175.800 -0.002 0.000 1.107 6 F CA -0.369 57.630 58.000 -0.001 0.000 1.218 6 F CB 0.161 39.160 39.000 -0.001 0.000 1.042 6 F HN 0.694 nan 8.300 nan 0.000 0.540 7 E N 0.705 120.969 120.200 0.107 0.000 2.347 7 E HA -0.083 4.282 4.350 0.025 0.000 0.196 7 E C 0.949 177.585 176.600 0.061 0.000 1.008 7 E CA 0.496 56.942 56.400 0.077 0.000 0.852 7 E CB 0.029 29.753 29.700 0.039 0.000 0.783 7 E HN 0.277 nan 8.360 nan 0.000 0.505 8 N N 0.862 119.596 118.700 0.058 0.000 2.322 8 N HA 0.066 4.821 4.740 0.025 0.000 0.216 8 N C -0.302 175.239 175.510 0.050 0.000 1.144 8 N CA -0.010 53.066 53.050 0.043 0.000 0.830 8 N CB 0.292 38.797 38.487 0.030 0.000 1.034 8 N HN 0.173 nan 8.380 nan 0.000 0.484 9 I N 1.309 121.920 120.570 0.069 0.000 2.396 9 I HA -0.008 4.177 4.170 0.025 0.000 0.289 9 I C 0.232 176.366 176.117 0.028 0.000 1.056 9 I CA 0.129 61.463 61.300 0.056 0.000 1.365 9 I CB 0.759 38.811 38.000 0.087 0.000 1.407 9 I HN -0.148 nan 8.210 nan 0.000 0.509 10 T N 7.469 122.033 114.554 0.017 0.000 2.834 10 T HA 0.307 4.671 4.350 0.025 0.000 0.298 10 T C 0.307 175.006 174.700 -0.002 0.000 0.966 10 T CA -0.388 61.716 62.100 0.007 0.000 1.141 10 T CB 0.527 69.398 68.868 0.005 0.000 0.905 10 T HN 0.699 nan 8.240 nan 0.000 0.535 11 A N 3.289 126.107 122.820 -0.004 0.000 2.498 11 A HA 0.575 4.910 4.320 0.025 0.000 0.239 11 A C 0.830 178.406 177.584 -0.014 0.000 1.068 11 A CA -0.463 51.567 52.037 -0.011 0.000 0.766 11 A CB -0.077 18.918 19.000 -0.009 0.000 1.003 11 A HN 1.052 nan 8.150 nan 0.000 0.497 12 A N 3.274 126.081 122.820 -0.020 0.000 2.445 12 A HA 0.546 4.881 4.320 0.025 0.000 0.242 12 A C -1.872 175.700 177.584 -0.020 0.000 1.075 12 A CA -0.970 51.053 52.037 -0.023 0.000 0.777 12 A CB -0.851 18.131 19.000 -0.030 0.000 1.013 12 A HN 0.734 nan 8.150 nan 0.000 0.493 13 P HA 0.310 nan 4.420 nan 0.000 0.266 13 P C -0.160 177.129 177.300 -0.018 0.000 1.195 13 P CA 0.213 63.302 63.100 -0.019 0.000 0.768 13 P CB 0.474 32.161 31.700 -0.022 0.000 0.838 14 A N 2.632 125.445 122.820 -0.011 0.000 2.553 14 A HA -0.032 4.302 4.320 0.025 0.000 0.258 14 A C 0.671 178.249 177.584 -0.010 0.000 1.069 14 A CA 0.049 52.082 52.037 -0.006 0.000 0.767 14 A CB -0.611 18.391 19.000 0.002 0.000 0.997 14 A HN 0.608 nan 8.150 nan 0.000 0.512 15 D N 5.006 125.398 120.400 -0.012 0.000 2.570 15 D HA -0.038 4.617 4.640 0.025 0.000 0.243 15 D C -0.850 175.442 176.300 -0.012 0.000 1.171 15 D CA -0.718 53.271 54.000 -0.019 0.000 0.879 15 D CB 0.803 41.594 40.800 -0.014 0.000 1.143 15 D HN 0.407 nan 8.370 nan 0.000 0.511 16 P HA -0.143 nan 4.420 nan 0.000 0.225 16 P C 1.136 178.435 177.300 -0.001 0.000 1.141 16 P CA 1.139 64.229 63.100 -0.016 0.000 0.774 16 P CB 0.042 31.718 31.700 -0.039 0.000 0.760 17 I N -6.844 113.729 120.570 0.005 0.000 4.420 17 I HA 0.108 4.293 4.170 0.025 0.000 0.292 17 I C 1.960 178.097 176.117 0.032 0.000 1.153 17 I CA -0.156 61.158 61.300 0.022 0.000 1.315 17 I CB -0.710 37.299 38.000 0.016 0.000 1.616 17 I HN -0.344 nan 8.210 nan 0.000 0.450 18 L N 2.639 123.875 121.223 0.022 0.000 2.189 18 L HA -0.041 4.314 4.340 0.025 0.000 0.214 18 L C 2.560 179.453 176.870 0.039 0.000 1.097 18 L CA 2.319 57.174 54.840 0.025 0.000 0.764 18 L CB -0.779 41.289 42.059 0.014 0.000 0.900 18 L HN 0.545 nan 8.230 nan 0.000 0.436 19 G N -0.745 108.080 108.800 0.041 0.000 2.469 19 G HA2 -0.261 3.714 3.960 0.025 0.000 0.219 19 G HA3 -0.261 3.714 3.960 0.025 0.000 0.219 19 G C 1.513 176.470 174.900 0.095 0.000 1.150 19 G CA 0.516 45.650 45.100 0.056 0.000 0.763 19 G HN 0.197 nan 8.290 nan 0.000 0.561 20 L N 1.087 122.377 121.223 0.113 0.000 2.083 20 L HA 0.005 4.360 4.340 0.025 0.000 0.209 20 L C 3.252 180.222 176.870 0.165 0.000 1.083 20 L CA 1.773 56.727 54.840 0.189 0.000 0.752 20 L CB -1.331 40.839 42.059 0.186 0.000 0.899 20 L HN 0.344 nan 8.230 nan 0.000 0.433 21 A N -0.458 122.415 122.820 0.088 0.000 1.845 21 A HA -0.219 4.116 4.320 0.025 0.000 0.215 21 A C 2.031 179.675 177.584 0.101 0.000 1.195 21 A CA 1.825 53.901 52.037 0.064 0.000 0.616 21 A CB -0.593 18.424 19.000 0.030 0.000 0.832 21 A HN 0.397 nan 8.150 nan 0.000 0.443 22 D N -0.382 120.064 120.400 0.077 0.000 2.144 22 D HA -0.113 4.542 4.640 0.025 0.000 0.199 22 D C 1.946 178.289 176.300 0.072 0.000 0.984 22 D CA 1.027 55.064 54.000 0.062 0.000 0.834 22 D CB -0.187 40.641 40.800 0.046 0.000 0.955 22 D HN 0.406 nan 8.370 nan 0.000 0.465 23 L N -0.063 121.231 121.223 0.118 0.000 2.093 23 L HA -0.148 4.207 4.340 0.025 0.000 0.208 23 L C 2.318 179.257 176.870 0.115 0.000 1.085 23 L CA 0.667 55.603 54.840 0.160 0.000 0.755 23 L CB -0.199 42.017 42.059 0.263 0.000 0.904 23 L HN -0.042 nan 8.230 nan 0.000 0.435 24 F N 1.672 121.512 119.950 -0.183 0.000 2.075 24 F HA -0.206 4.335 4.527 0.024 0.000 0.297 24 F C 2.082 177.680 175.800 -0.336 0.000 1.113 24 F CA 1.106 58.715 58.000 -0.652 0.000 1.218 24 F CB -0.210 38.378 39.000 -0.687 0.000 0.984 24 F HN 0.009 nan 8.300 nan 0.000 0.472 25 R N 0.923 121.321 120.500 -0.169 0.000 4.792 25 R HA 0.493 4.848 4.340 0.025 0.000 0.205 25 R C -0.477 175.726 176.300 -0.161 0.000 1.875 25 R CA 0.628 56.597 56.100 -0.219 0.000 1.588 25 R CB -0.628 29.672 30.300 0.000 0.000 1.401 25 R HN 0.271 nan 8.270 nan 0.000 0.834 26 A N 0.925 123.618 122.820 -0.211 0.000 3.009 26 A HA 0.133 4.468 4.320 0.025 0.000 0.198 26 A C -1.345 176.164 177.584 -0.125 0.000 1.289 26 A CA -0.682 51.285 52.037 -0.116 0.000 1.343 26 A CB 0.352 19.325 19.000 -0.045 0.000 1.180 26 A HN 0.440 nan 8.150 nan 0.000 0.689 27 D N 0.810 121.080 120.400 -0.217 0.000 2.780 27 D HA 0.290 4.945 4.640 0.025 0.000 0.242 27 D C 0.249 176.458 176.300 -0.153 0.000 1.135 27 D CA -0.179 53.726 54.000 -0.158 0.000 0.859 27 D CB 1.670 42.345 40.800 -0.208 0.000 1.530 27 D HN 0.452 nan 8.370 nan 0.000 0.493 28 E N 1.548 121.697 120.200 -0.085 0.000 2.419 28 E HA 0.142 4.507 4.350 0.025 0.000 0.190 28 E C -0.040 176.527 176.600 -0.054 0.000 1.040 28 E CA -0.344 56.015 56.400 -0.069 0.000 0.900 28 E CB 0.443 30.116 29.700 -0.044 0.000 1.054 28 E HN -0.058 nan 8.360 nan 0.000 0.462 29 R N 1.386 121.849 120.500 -0.062 0.000 2.664 29 R HA 0.256 4.611 4.340 0.025 0.000 0.281 29 R C -2.145 174.135 176.300 -0.032 0.000 1.383 29 R CA -2.601 53.483 56.100 -0.027 0.000 1.563 29 R CB 0.626 30.927 30.300 0.002 0.000 1.131 29 R HN -0.002 nan 8.270 nan 0.000 0.599 30 P HA -0.148 nan 4.420 nan 0.000 0.228 30 P C 0.952 178.272 177.300 0.033 0.000 1.143 30 P CA 1.166 64.261 63.100 -0.010 0.000 0.771 30 P CB 0.320 32.015 31.700 -0.007 0.000 0.764 31 G N -0.088 108.740 108.800 0.047 0.000 2.598 31 G HA2 -0.145 3.829 3.960 0.025 0.000 0.215 31 G HA3 -0.145 3.829 3.960 0.025 0.000 0.215 31 G C 0.330 175.303 174.900 0.123 0.000 1.131 31 G CA -0.188 44.959 45.100 0.078 0.000 0.785 31 G HN 0.372 nan 8.290 nan 0.000 0.539 32 K N 0.394 120.871 120.400 0.129 0.000 2.484 32 K HA 0.313 4.648 4.320 0.025 0.000 0.280 32 K C -0.716 176.076 176.600 0.321 0.000 1.013 32 K CA 0.186 56.611 56.287 0.228 0.000 1.029 32 K CB 0.729 33.290 32.500 0.102 0.000 0.902 32 K HN 0.084 nan 8.250 nan 0.000 0.481 33 I N 2.497 123.288 120.570 0.369 0.000 2.436 33 I HA 0.148 4.333 4.170 0.025 0.000 0.289 33 I C -0.521 175.707 176.117 0.184 0.000 1.010 33 I CA -1.000 60.437 61.300 0.228 0.000 1.098 33 I CB 1.818 39.900 38.000 0.136 0.000 1.266 33 I HN 0.716 nan 8.210 nan 0.000 0.434 34 N N 7.341 125.931 118.700 -0.182 0.000 2.546 34 N HA 0.320 5.074 4.740 0.025 0.000 0.238 34 N C -0.061 175.318 175.510 -0.219 0.000 0.984 34 N CA -0.288 52.491 53.050 -0.451 0.000 0.935 34 N CB 1.145 38.834 38.487 -1.329 0.000 1.122 34 N HN 0.639 nan 8.380 nan 0.000 0.510 35 L N 1.982 123.166 121.223 -0.064 0.000 2.629 35 L HA 0.290 4.644 4.340 0.025 0.000 0.230 35 L C 1.872 178.737 176.870 -0.009 0.000 1.151 35 L CA -0.065 54.743 54.840 -0.053 0.000 0.924 35 L CB 0.334 42.374 42.059 -0.031 0.000 1.137 35 L HN 0.481 nan 8.230 nan 0.000 0.457 36 G N 0.534 109.322 108.800 -0.021 0.000 2.939 36 G HA2 -0.016 3.958 3.960 0.025 0.000 0.210 36 G HA3 -0.016 3.958 3.960 0.025 0.000 0.210 36 G C 1.474 176.386 174.900 0.021 0.000 1.160 36 G CA -0.002 45.115 45.100 0.028 0.000 0.770 36 G HN 0.486 nan 8.290 nan 0.000 0.543 37 I N -1.429 119.117 120.570 -0.041 0.000 2.315 37 I HA 0.044 4.229 4.170 0.025 0.000 0.251 37 I C 2.247 178.404 176.117 0.067 0.000 1.125 37 I CA 1.277 62.555 61.300 -0.038 0.000 1.392 37 I CB -0.418 37.509 38.000 -0.122 0.000 1.065 37 I HN 0.210 nan 8.210 nan 0.000 0.424 38 G N 0.374 109.325 108.800 0.250 0.000 2.353 38 G HA2 -0.274 3.701 3.960 0.025 0.000 0.258 38 G HA3 -0.274 3.701 3.960 0.025 0.000 0.258 38 G C 0.407 175.424 174.900 0.197 0.000 1.013 38 G CA 0.435 45.774 45.100 0.398 0.000 0.622 38 G HN 0.464 nan 8.290 nan 0.000 0.535 39 V N 0.178 120.091 119.914 -0.002 0.000 2.975 39 V HA 0.686 4.821 4.120 0.025 0.000 0.318 39 V C 0.206 176.286 176.094 -0.023 0.000 1.077 39 V CA -0.953 61.280 62.300 -0.113 0.000 1.000 39 V CB 1.764 33.361 31.823 -0.376 0.000 1.066 39 V HN 0.412 nan 8.190 nan 0.000 0.452 40 Y N 3.050 123.364 120.300 0.023 0.000 2.301 40 Y HA 0.502 5.066 4.550 0.023 0.000 0.328 40 Y C 0.060 175.967 175.900 0.010 0.000 1.242 40 Y CA -0.117 58.001 58.100 0.030 0.000 1.323 40 Y CB 0.686 39.248 38.460 0.170 0.000 1.266 40 Y HN 0.522 nan 8.280 nan 0.000 0.527 41 K N 3.981 123.877 120.400 -0.841 0.000 2.426 41 K HA 0.246 4.581 4.320 0.025 0.000 0.251 41 K C -1.259 174.813 176.600 -0.880 0.000 0.941 41 K CA -1.046 54.884 56.287 -0.595 0.000 0.808 41 K CB 1.494 33.791 32.500 -0.339 0.000 1.265 41 K HN 0.765 nan 8.250 nan 0.000 0.432 42 D N 0.547 120.715 120.400 -0.387 0.000 2.506 42 D HA 0.047 4.702 4.640 0.025 0.000 0.272 42 D C 0.701 176.930 176.300 -0.118 0.000 1.214 42 D CA -0.270 53.627 54.000 -0.172 0.000 1.067 42 D CB 0.483 41.317 40.800 0.055 0.000 1.117 42 D HN 0.362 nan 8.370 nan 0.000 0.578 43 E N -0.653 119.524 120.200 -0.037 0.000 2.171 43 E HA -0.139 4.226 4.350 0.025 0.000 0.197 43 E C 1.652 178.234 176.600 -0.030 0.000 0.997 43 E CA 1.497 57.879 56.400 -0.030 0.000 0.810 43 E CB -0.591 29.108 29.700 -0.003 0.000 0.738 43 E HN 0.553 nan 8.360 nan 0.000 0.467 44 T N -0.391 114.150 114.554 -0.021 0.000 3.160 44 T HA 0.134 4.498 4.350 0.025 0.000 0.257 44 T C 1.181 175.865 174.700 -0.027 0.000 1.147 44 T CA 0.763 62.855 62.100 -0.014 0.000 1.064 44 T CB 0.009 68.877 68.868 0.001 0.000 0.949 44 T HN 0.427 nan 8.240 nan 0.000 0.526 45 G N 1.352 110.117 108.800 -0.057 0.000 2.160 45 G HA2 -0.240 3.735 3.960 0.025 0.000 0.244 45 G HA3 -0.240 3.735 3.960 0.025 0.000 0.244 45 G C -0.099 174.765 174.900 -0.060 0.000 1.022 45 G CA 0.165 45.224 45.100 -0.068 0.000 0.741 45 G HN 0.505 nan 8.290 nan 0.000 0.508 46 K N -0.483 119.885 120.400 -0.053 0.000 2.385 46 K HA 0.716 5.051 4.320 0.025 0.000 0.248 46 K C -0.070 176.526 176.600 -0.008 0.000 0.955 46 K CA -0.451 55.824 56.287 -0.020 0.000 0.816 46 K CB 1.424 33.929 32.500 0.008 0.000 1.250 46 K HN -0.031 nan 8.250 nan 0.000 0.434 47 T N 4.206 118.774 114.554 0.023 0.000 3.355 47 T HA 0.313 4.678 4.350 0.025 0.000 0.376 47 T C -2.326 172.463 174.700 0.148 0.000 1.683 47 T CA -1.303 60.855 62.100 0.096 0.000 1.269 47 T CB 0.143 69.029 68.868 0.030 0.000 1.158 47 T HN 0.396 nan 8.240 nan 0.000 0.703 48 P HA 0.260 nan 4.420 nan 0.000 0.272 48 P C -0.245 177.153 177.300 0.163 0.000 1.240 48 P CA -0.707 62.478 63.100 0.141 0.000 0.791 48 P CB 0.518 32.297 31.700 0.131 0.000 0.978 49 V N 2.621 122.614 119.914 0.132 0.000 2.509 49 V HA 0.257 4.392 4.120 0.025 0.000 0.284 49 V C -0.132 176.033 176.094 0.118 0.000 1.047 49 V CA -0.779 61.603 62.300 0.137 0.000 0.952 49 V CB 0.069 31.964 31.823 0.120 0.000 0.988 49 V HN 0.321 nan 8.190 nan 0.000 0.469 50 L N 5.445 126.743 121.223 0.126 0.000 2.499 50 L HA 0.111 4.465 4.340 0.025 0.000 0.281 50 L C 1.909 178.833 176.870 0.090 0.000 1.234 50 L CA 0.263 55.167 54.840 0.107 0.000 0.839 50 L CB 0.353 42.489 42.059 0.128 0.000 1.104 50 L HN 0.829 nan 8.230 nan 0.000 0.500 51 T N -0.294 114.303 114.554 0.070 0.000 2.746 51 T HA -0.164 4.201 4.350 0.025 0.000 0.267 51 T C 1.921 176.659 174.700 0.064 0.000 1.039 51 T CA 1.751 63.886 62.100 0.058 0.000 1.142 51 T CB -0.128 68.764 68.868 0.040 0.000 0.866 51 T HN 0.863 nan 8.240 nan 0.000 0.444 52 S N 1.786 117.534 115.700 0.080 0.000 2.400 52 S HA -0.116 4.369 4.470 0.025 0.000 0.232 52 S C 2.294 176.941 174.600 0.078 0.000 1.025 52 S CA 1.250 59.502 58.200 0.087 0.000 0.993 52 S CB -0.946 62.341 63.200 0.145 0.000 0.808 52 S HN 0.513 nan 8.310 nan 0.000 0.478 53 V N -0.062 119.908 119.914 0.094 0.000 2.725 53 V HA 0.202 4.337 4.120 0.025 0.000 0.247 53 V C 2.153 178.283 176.094 0.061 0.000 1.058 53 V CA 1.244 63.586 62.300 0.071 0.000 1.080 53 V CB -0.727 31.150 31.823 0.089 0.000 0.713 53 V HN 0.324 nan 8.190 nan 0.000 0.465 54 K N 0.333 120.775 120.400 0.071 0.000 2.147 54 K HA -0.098 4.237 4.320 0.025 0.000 0.205 54 K C 2.250 178.888 176.600 0.063 0.000 1.049 54 K CA 1.710 58.038 56.287 0.068 0.000 0.936 54 K CB -0.123 32.416 32.500 0.065 0.000 0.722 54 K HN 0.527 nan 8.250 nan 0.000 0.446 55 K N -0.069 120.364 120.400 0.055 0.000 2.057 55 K HA -0.092 4.243 4.320 0.025 0.000 0.206 55 K C 2.096 178.734 176.600 0.064 0.000 1.050 55 K CA 1.215 57.534 56.287 0.053 0.000 0.935 55 K CB -0.070 32.450 32.500 0.033 0.000 0.715 55 K HN 0.096 nan 8.250 nan 0.000 0.439 56 A N 1.632 124.477 122.820 0.042 0.000 1.930 56 A HA -0.183 4.152 4.320 0.025 0.000 0.217 56 A C 1.832 179.468 177.584 0.087 0.000 1.175 56 A CA 1.376 53.438 52.037 0.042 0.000 0.627 56 A CB -0.286 18.700 19.000 -0.025 0.000 0.815 56 A HN 0.280 nan 8.150 nan 0.000 0.443 57 E N -1.040 119.197 120.200 0.061 0.000 2.152 57 E HA -0.201 4.164 4.350 0.025 0.000 0.192 57 E C 2.182 178.841 176.600 0.099 0.000 0.983 57 E CA 1.093 57.542 56.400 0.083 0.000 0.818 57 E CB -0.075 29.698 29.700 0.122 0.000 0.758 57 E HN 0.631 nan 8.360 nan 0.000 0.467 58 Q N 0.325 120.182 119.800 0.096 0.000 2.079 58 Q HA -0.208 4.147 4.340 0.025 0.000 0.200 58 Q C 1.777 177.828 176.000 0.085 0.000 0.974 58 Q CA 1.442 57.293 55.803 0.080 0.000 0.840 58 Q CB -0.481 28.302 28.738 0.075 0.000 0.898 58 Q HN 0.386 nan 8.270 nan 0.000 0.430 59 Y N 0.280 120.581 120.300 0.001 0.000 2.097 59 Y HA -0.236 4.326 4.550 0.019 0.000 0.282 59 Y C 1.750 177.645 175.900 -0.008 0.000 1.152 59 Y CA 2.034 60.130 58.100 -0.007 0.000 1.136 59 Y CB -0.377 38.073 38.460 -0.016 0.000 0.975 59 Y HN 0.152 nan 8.280 nan 0.000 0.498 60 L N -0.640 120.573 121.223 -0.016 0.000 2.042 60 L HA -0.231 4.123 4.340 0.025 0.000 0.210 60 L C 2.467 179.283 176.870 -0.090 0.000 1.076 60 L CA 1.379 56.166 54.840 -0.088 0.000 0.749 60 L CB -0.818 41.246 42.059 0.008 0.000 0.893 60 L HN 0.355 nan 8.230 nan 0.000 0.432 61 L N -0.065 121.140 121.223 -0.031 0.000 2.083 61 L HA -0.194 4.161 4.340 0.025 0.000 0.209 61 L C 2.357 179.184 176.870 -0.071 0.000 1.083 61 L CA 1.752 56.575 54.840 -0.029 0.000 0.752 61 L CB -0.393 41.669 42.059 0.004 0.000 0.899 61 L HN 0.203 nan 8.230 nan 0.000 0.433 62 E N -0.754 119.382 120.200 -0.106 0.000 2.107 62 E HA -0.134 4.231 4.350 0.025 0.000 0.191 62 E C 1.386 177.884 176.600 -0.170 0.000 0.982 62 E CA 1.396 57.726 56.400 -0.117 0.000 0.809 62 E CB -0.042 29.593 29.700 -0.109 0.000 0.756 62 E HN 0.618 nan 8.360 nan 0.000 0.459 63 N N -0.187 118.345 118.700 -0.280 0.000 2.250 63 N HA 0.043 4.798 4.740 0.025 0.000 0.190 63 N C -0.024 175.373 175.510 -0.189 0.000 1.116 63 N CA -0.036 52.842 53.050 -0.287 0.000 0.881 63 N CB 0.688 38.846 38.487 -0.547 0.000 1.006 63 N HN 0.044 nan 8.380 nan 0.000 0.491 67 T N 0.398 114.927 114.554 -0.043 0.000 2.840 67 T HA 0.565 4.930 4.350 0.025 0.000 0.317 67 T C -1.335 173.333 174.700 -0.053 0.000 1.401 67 T CA -0.605 61.467 62.100 -0.046 0.000 1.028 67 T CB 1.754 70.599 68.868 -0.038 0.000 1.317 67 T HN -0.064 nan 8.240 nan 0.000 0.495 68 K N 2.170 122.526 120.400 -0.073 0.000 2.478 68 K HA 0.223 4.558 4.320 0.025 0.000 0.205 68 K C 0.616 177.132 176.600 -0.139 0.000 1.033 68 K CA -0.316 55.917 56.287 -0.091 0.000 1.091 68 K CB -0.131 32.307 32.500 -0.103 0.000 0.844 68 K HN 0.608 nan 8.250 nan 0.000 0.507 69 N N 0.830 119.461 118.700 -0.115 0.000 2.395 69 N HA -0.078 4.677 4.740 0.025 0.000 0.246 69 N C -0.581 174.885 175.510 -0.073 0.000 1.246 69 N CA -0.042 52.929 53.050 -0.133 0.000 0.879 69 N CB 0.370 38.832 38.487 -0.042 0.000 1.098 69 N HN -0.088 nan 8.380 nan 0.000 0.444 70 Y N 1.887 122.185 120.300 -0.005 0.000 2.895 70 Y HA -0.097 4.469 4.550 0.028 0.000 0.334 70 Y C 0.752 176.650 175.900 -0.003 0.000 1.261 70 Y CA 0.317 58.416 58.100 -0.003 0.000 1.560 70 Y CB 0.179 38.638 38.460 -0.001 0.000 1.253 70 Y HN 0.279 nan 8.280 nan 0.000 0.582 71 L N 2.915 124.243 121.223 0.174 0.000 2.464 71 L HA 0.292 4.647 4.340 0.025 0.000 0.264 71 L C 1.295 178.218 176.870 0.088 0.000 1.199 71 L CA -0.360 54.538 54.840 0.096 0.000 0.818 71 L CB 0.224 42.316 42.059 0.056 0.000 1.102 71 L HN 0.836 nan 8.230 nan 0.000 0.473 72 G N 0.714 109.549 108.800 0.058 0.000 2.614 72 G HA2 0.122 4.096 3.960 0.025 0.000 0.239 72 G HA3 0.122 4.096 3.960 0.025 0.000 0.239 72 G C 1.116 176.029 174.900 0.022 0.000 1.240 72 G CA -0.624 44.496 45.100 0.033 0.000 0.842 72 G HN 0.520 nan 8.290 nan 0.000 0.584 73 I N 1.212 121.770 120.570 -0.020 0.000 2.181 73 I HA -0.187 3.998 4.170 0.025 0.000 0.247 73 I C 2.211 178.326 176.117 -0.002 0.000 1.081 73 I CA 1.786 63.055 61.300 -0.052 0.000 1.340 73 I CB -0.822 37.104 38.000 -0.125 0.000 1.036 73 I HN 0.658 nan 8.210 nan 0.000 0.417 74 D N -0.225 120.197 120.400 0.036 0.000 2.328 74 D HA 0.245 4.900 4.640 0.025 0.000 0.221 74 D C 1.226 177.617 176.300 0.152 0.000 1.072 74 D CA 0.745 54.825 54.000 0.133 0.000 0.850 74 D CB -0.006 40.954 40.800 0.267 0.000 0.922 74 D HN 0.395 nan 8.370 nan 0.000 0.516 75 G N 1.244 110.097 108.800 0.088 0.000 2.542 75 G HA2 -0.244 3.731 3.960 0.025 0.000 0.235 75 G HA3 -0.244 3.731 3.960 0.025 0.000 0.235 75 G C -0.326 174.600 174.900 0.044 0.000 1.286 75 G CA -0.221 44.900 45.100 0.036 0.000 0.904 75 G HN 0.652 nan 8.290 nan 0.000 0.577 76 I N 2.045 122.616 120.570 0.002 0.000 2.395 76 I HA 0.597 4.782 4.170 0.025 0.000 0.289 76 I C -0.451 175.734 176.117 0.114 0.000 1.023 76 I CA -1.635 59.689 61.300 0.040 0.000 1.350 76 I CB 1.606 39.600 38.000 -0.009 0.000 1.409 76 I HN 0.349 nan 8.210 nan 0.000 0.507 77 P HA -0.158 nan 4.420 nan 0.000 0.216 77 P C 1.098 178.446 177.300 0.080 0.000 1.153 77 P CA 1.356 64.510 63.100 0.090 0.000 0.848 77 P CB 0.124 31.862 31.700 0.063 0.000 0.787 78 E N -1.110 119.128 120.200 0.064 0.000 2.118 78 E HA -0.187 4.178 4.350 0.025 0.000 0.195 78 E C 1.918 178.542 176.600 0.040 0.000 0.992 78 E CA 0.825 57.246 56.400 0.036 0.000 0.804 78 E CB -0.536 29.176 29.700 0.020 0.000 0.741 78 E HN 0.193 nan 8.360 nan 0.000 0.458 79 F N 1.047 120.950 119.950 -0.078 0.000 2.095 79 F HA -0.164 4.378 4.527 0.024 0.000 0.298 79 F C 2.146 177.911 175.800 -0.057 0.000 1.104 79 F CA 1.970 59.900 58.000 -0.115 0.000 1.232 79 F CB -0.633 38.290 39.000 -0.128 0.000 0.987 79 F HN -0.040 nan 8.300 nan 0.000 0.475 80 G N 0.849 109.734 108.800 0.141 0.000 2.446 80 G HA2 -0.330 3.645 3.960 0.025 0.000 0.217 80 G HA3 -0.330 3.645 3.960 0.025 0.000 0.217 80 G C 1.682 176.553 174.900 -0.048 0.000 1.168 80 G CA 1.102 46.231 45.100 0.048 0.000 0.771 80 G HN 0.534 nan 8.290 nan 0.000 0.551 81 R N -0.470 120.012 120.500 -0.030 0.000 2.092 81 R HA 0.025 4.380 4.340 0.025 0.000 0.231 81 R C 2.422 178.682 176.300 -0.067 0.000 1.119 81 R CA 1.426 57.507 56.100 -0.033 0.000 0.970 81 R CB -1.208 29.084 30.300 -0.014 0.000 0.864 81 R HN 0.289 nan 8.270 nan 0.000 0.440 82 C N 1.254 120.484 119.300 -0.117 0.000 2.425 82 C HA -0.092 4.383 4.460 0.025 0.000 0.277 82 C C 3.138 178.022 174.990 -0.177 0.000 1.280 82 C CA 1.524 60.454 59.018 -0.148 0.000 1.744 82 C CB -0.846 26.766 27.740 -0.213 0.000 1.989 82 C HN 0.770 nan 8.230 nan 0.000 0.491 83 T N 0.646 115.042 114.554 -0.263 0.000 2.896 83 T HA -0.160 4.205 4.350 0.025 0.000 0.263 83 T C 1.755 176.355 174.700 -0.168 0.000 1.050 83 T CA 1.603 63.572 62.100 -0.218 0.000 1.140 83 T CB -0.415 68.286 68.868 -0.278 0.000 0.877 83 T HN 0.794 nan 8.240 nan 0.000 0.457 84 Q N 0.214 119.951 119.800 -0.105 0.000 2.369 84 Q HA 0.047 4.402 4.340 0.025 0.000 0.206 84 Q C 2.071 178.066 176.000 -0.007 0.000 0.963 84 Q CA 1.109 56.879 55.803 -0.056 0.000 0.894 84 Q CB -0.274 28.565 28.738 0.167 0.000 0.965 84 Q HN 0.592 nan 8.270 nan 0.000 0.475 85 E N 1.231 121.425 120.200 -0.011 0.000 2.072 85 E HA -0.076 4.289 4.350 0.025 0.000 0.191 85 E C 1.934 178.519 176.600 -0.026 0.000 0.985 85 E CA 0.731 57.137 56.400 0.009 0.000 0.801 85 E CB 0.025 29.725 29.700 0.001 0.000 0.750 85 E HN 0.316 nan 8.360 nan 0.000 0.452 86 L N 0.265 121.451 121.223 -0.061 0.000 2.046 86 L HA -0.216 4.139 4.340 0.025 0.000 0.208 86 L C 2.135 178.952 176.870 -0.088 0.000 1.077 86 L CA 0.580 55.395 54.840 -0.042 0.000 0.747 86 L CB -0.137 41.911 42.059 -0.017 0.000 0.896 86 L HN 0.225 nan 8.230 nan 0.000 0.432 87 L N -1.291 119.787 121.223 -0.242 0.000 2.005 87 L HA -0.180 4.175 4.340 0.025 0.000 0.207 87 L C 1.925 178.509 176.870 -0.476 0.000 1.072 87 L CA 2.019 56.593 54.840 -0.443 0.000 0.744 87 L CB -0.724 40.773 42.059 -0.937 0.000 0.895 87 L HN 0.111 nan 8.230 nan 0.000 0.433 88 F N -0.909 119.031 119.950 -0.016 0.000 2.721 88 F HA 0.532 5.074 4.527 0.026 0.000 0.301 88 F C 1.247 177.031 175.800 -0.028 0.000 1.096 88 F CA -0.037 57.938 58.000 -0.042 0.000 1.308 88 F CB -0.551 38.422 39.000 -0.045 0.000 1.086 88 F HN 0.079 nan 8.300 nan 0.000 0.587 89 G N 0.613 109.477 108.800 0.106 0.000 2.719 89 G HA2 -0.213 3.762 3.960 0.025 0.000 0.686 89 G HA3 -0.213 3.762 3.960 0.025 0.000 0.686 89 G C 0.264 175.208 174.900 0.072 0.000 1.201 89 G CA -0.771 44.373 45.100 0.073 0.000 0.768 89 G HN 0.108 nan 8.290 nan 0.000 0.629 90 K N 0.404 120.830 120.400 0.043 0.000 2.360 90 K HA 0.163 4.498 4.320 0.025 0.000 0.201 90 K C 2.077 178.695 176.600 0.030 0.000 1.046 90 K CA 1.756 58.062 56.287 0.033 0.000 0.945 90 K CB 0.121 32.633 32.500 0.021 0.000 0.750 90 K HN 1.099 nan 8.250 nan 0.000 0.464 91 G N -0.396 108.422 108.800 0.030 0.000 4.238 91 G HA2 0.051 4.025 3.960 0.025 0.000 0.292 91 G HA3 0.051 4.025 3.960 0.025 0.000 0.292 91 G C -0.496 174.414 174.900 0.017 0.000 1.036 91 G CA -0.401 44.710 45.100 0.019 0.000 0.812 91 G HN 0.132 nan 8.290 nan 0.000 0.489 92 S N 0.122 115.842 115.700 0.032 0.000 2.563 92 S HA 0.365 4.850 4.470 0.025 0.000 0.284 92 S C 1.963 176.550 174.600 -0.023 0.000 1.331 92 S CA 0.421 58.629 58.200 0.014 0.000 1.047 92 S CB 0.970 64.199 63.200 0.048 0.000 0.859 92 S HN 0.675 nan 8.310 nan 0.000 0.514 93 A N 4.860 127.654 122.820 -0.043 0.000 1.972 93 A HA -0.013 4.322 4.320 0.025 0.000 0.219 93 A C 2.072 179.605 177.584 -0.086 0.000 1.169 93 A CA 1.359 53.364 52.037 -0.055 0.000 0.635 93 A CB -0.721 18.247 19.000 -0.054 0.000 0.810 93 A HN 0.875 nan 8.150 nan 0.000 0.446 94 L N -0.783 120.350 121.223 -0.149 0.000 2.079 94 L HA -0.198 4.157 4.340 0.025 0.000 0.210 94 L C 2.394 179.173 176.870 -0.152 0.000 1.081 94 L CA 1.312 56.017 54.840 -0.225 0.000 0.752 94 L CB -0.537 41.221 42.059 -0.502 0.000 0.896 94 L HN 0.399 nan 8.230 nan 0.000 0.433 95 I N -0.457 120.061 120.570 -0.087 0.000 2.339 95 I HA -0.188 3.997 4.170 0.025 0.000 0.245 95 I C 1.973 178.072 176.117 -0.029 0.000 1.096 95 I CA 1.196 62.479 61.300 -0.028 0.000 1.408 95 I CB -0.346 37.672 38.000 0.029 0.000 1.092 95 I HN 0.281 nan 8.210 nan 0.000 0.423 96 N N 0.875 119.559 118.700 -0.027 0.000 2.166 96 N HA -0.180 4.575 4.740 0.025 0.000 0.186 96 N C 0.757 176.251 175.510 -0.027 0.000 1.019 96 N CA 1.100 54.138 53.050 -0.022 0.000 0.856 96 N CB -0.026 38.450 38.487 -0.018 0.000 0.993 96 N HN 0.253 nan 8.380 nan 0.000 0.426 97 D N 0.635 121.012 120.400 -0.039 0.000 2.349 97 D HA 0.014 4.669 4.640 0.025 0.000 0.224 97 D C -0.016 176.260 176.300 -0.040 0.000 1.029 97 D CA 0.421 54.398 54.000 -0.038 0.000 0.879 97 D CB 0.118 40.892 40.800 -0.044 0.000 0.906 97 D HN -0.108 nan 8.370 nan 0.000 0.528 98 K N 0.362 120.736 120.400 -0.045 0.000 3.278 98 K HA -0.229 4.106 4.320 0.025 0.000 0.270 98 K C 0.333 176.898 176.600 -0.058 0.000 0.955 98 K CA 0.264 56.523 56.287 -0.048 0.000 0.723 98 K CB -1.606 30.875 32.500 -0.032 0.000 1.382 98 K HN 0.494 nan 8.250 nan 0.000 0.461 99 R N -1.221 119.233 120.500 -0.078 0.000 2.393 99 R HA 0.387 4.742 4.340 0.025 0.000 0.244 99 R C 0.546 176.787 176.300 -0.099 0.000 0.920 99 R CA 0.320 56.373 56.100 -0.078 0.000 1.076 99 R CB 0.776 31.030 30.300 -0.077 0.000 1.119 99 R HN 0.191 nan 8.270 nan 0.000 0.524 100 A N 1.661 124.414 122.820 -0.111 0.000 2.342 100 A HA 0.711 5.046 4.320 0.025 0.000 0.323 100 A C -0.698 176.793 177.584 -0.156 0.000 1.125 100 A CA -0.827 51.152 52.037 -0.097 0.000 0.785 100 A CB 1.202 20.187 19.000 -0.026 0.000 1.221 100 A HN 0.008 nan 8.150 nan 0.000 0.463 101 R N 0.811 121.147 120.500 -0.275 0.000 2.686 101 R HA 0.674 5.029 4.340 0.025 0.000 0.286 101 R C -1.241 174.766 176.300 -0.488 0.000 0.969 101 R CA -0.432 55.313 56.100 -0.591 0.000 0.898 101 R CB 1.837 31.339 30.300 -1.330 0.000 1.183 101 R HN 0.695 nan 8.270 nan 0.000 0.456 102 T N 1.272 115.633 114.554 -0.322 0.000 2.792 102 T HA 0.605 4.970 4.350 0.025 0.000 0.280 102 T C -0.586 174.274 174.700 0.266 0.000 0.990 102 T CA -0.540 61.566 62.100 0.009 0.000 0.960 102 T CB 1.625 70.525 68.868 0.053 0.000 0.939 102 T HN 0.578 nan 8.240 nan 0.000 0.439 103 A N 3.434 126.505 122.820 0.418 0.000 2.276 103 A HA 0.528 4.863 4.320 0.025 0.000 0.316 103 A C 0.241 178.009 177.584 0.306 0.000 1.229 103 A CA -0.695 51.586 52.037 0.407 0.000 0.851 103 A CB 0.579 19.762 19.000 0.306 0.000 1.165 103 A HN 0.803 nan 8.150 nan 0.000 0.513 104 Q N 1.932 121.896 119.800 0.274 0.000 2.274 104 Q HA 0.310 4.665 4.340 0.025 0.000 0.280 104 Q C 0.047 176.106 176.000 0.097 0.000 1.047 104 Q CA 0.717 56.622 55.803 0.170 0.000 0.907 104 Q CB 0.376 29.026 28.738 -0.146 0.000 1.171 104 Q HN 0.828 nan 8.270 nan 0.000 0.381 105 T N 0.830 115.426 114.554 0.070 0.000 2.907 105 T HA 0.583 4.948 4.350 0.025 0.000 0.290 105 T C -2.690 171.928 174.700 -0.138 0.000 1.066 105 T CA -2.105 59.996 62.100 0.001 0.000 1.012 105 T CB 1.728 70.645 68.868 0.082 0.000 1.184 105 T HN 0.474 nan 8.240 nan 0.000 0.522 106 P HA 0.368 nan 4.420 nan 0.000 0.256 106 P C 0.787 178.017 177.300 -0.117 0.000 1.688 106 P CA 0.753 63.702 63.100 -0.251 0.000 1.162 106 P CB -0.576 30.880 31.700 -0.406 0.000 1.870 107 G N 2.998 111.764 108.800 -0.057 0.000 2.829 107 G HA2 -0.163 3.812 3.960 0.025 0.000 0.628 107 G HA3 -0.163 3.812 3.960 0.025 0.000 0.628 107 G C 0.957 175.848 174.900 -0.015 0.000 1.412 107 G CA -0.473 44.613 45.100 -0.023 0.000 0.864 107 G HN 0.450 nan 8.290 nan 0.000 0.544 108 G N -1.391 107.381 108.800 -0.047 0.000 2.422 108 G HA2 0.074 4.049 3.960 0.025 0.000 0.218 108 G HA3 0.074 4.049 3.960 0.025 0.000 0.218 108 G C 1.834 176.739 174.900 0.009 0.000 1.140 108 G CA 2.326 47.394 45.100 -0.055 0.000 0.775 108 G HN 1.272 nan 8.290 nan 0.000 0.545 109 T N 0.928 115.510 114.554 0.047 0.000 2.821 109 T HA -0.020 4.344 4.350 0.025 0.000 0.267 109 T C 2.502 177.241 174.700 0.064 0.000 1.046 109 T CA 1.282 63.459 62.100 0.128 0.000 1.139 109 T CB -0.430 68.548 68.868 0.183 0.000 0.871 109 T HN 0.331 nan 8.240 nan 0.000 0.454 110 G N 1.199 110.016 108.800 0.028 0.000 2.418 110 G HA2 -0.028 3.947 3.960 0.025 0.000 0.217 110 G HA3 -0.028 3.947 3.960 0.025 0.000 0.217 110 G C 1.845 176.792 174.900 0.078 0.000 1.158 110 G CA 0.817 45.931 45.100 0.025 0.000 0.771 110 G HN 0.574 nan 8.290 nan 0.000 0.545 111 A N 0.510 123.376 122.820 0.076 0.000 1.940 111 A HA 0.076 4.411 4.320 0.025 0.000 0.219 111 A C 2.419 180.078 177.584 0.124 0.000 1.176 111 A CA 1.294 53.398 52.037 0.112 0.000 0.631 111 A CB -0.366 18.694 19.000 0.099 0.000 0.814 111 A HN 0.365 nan 8.150 nan 0.000 0.446 112 L N -1.444 119.841 121.223 0.102 0.000 2.109 112 L HA -0.099 4.255 4.340 0.025 0.000 0.207 112 L C 2.709 179.567 176.870 -0.020 0.000 1.086 112 L CA 1.397 56.282 54.840 0.075 0.000 0.760 112 L CB -0.316 41.779 42.059 0.061 0.000 0.910 112 L HN 0.347 nan 8.230 nan 0.000 0.437 113 R N 0.567 121.061 120.500 -0.010 0.000 2.090 113 R HA -0.114 4.240 4.340 0.025 0.000 0.228 113 R C 2.122 178.469 176.300 0.078 0.000 1.110 113 R CA 1.881 57.975 56.100 -0.011 0.000 0.973 113 R CB -0.772 29.535 30.300 0.011 0.000 0.869 113 R HN 0.333 nan 8.270 nan 0.000 0.440 114 V N -1.359 118.633 119.914 0.129 0.000 2.667 114 V HA 0.099 4.234 4.120 0.025 0.000 0.252 114 V C 2.043 178.257 176.094 0.199 0.000 1.065 114 V CA 1.481 63.873 62.300 0.154 0.000 1.083 114 V CB -0.862 31.056 31.823 0.159 0.000 0.692 114 V HN 0.284 nan 8.190 nan 0.000 0.468 115 A N 1.011 123.960 122.820 0.215 0.000 1.877 115 A HA 0.062 4.396 4.320 0.025 0.000 0.216 115 A C 2.563 180.366 177.584 0.366 0.000 1.186 115 A CA 2.457 54.678 52.037 0.307 0.000 0.620 115 A CB -1.254 17.930 19.000 0.306 0.000 0.822 115 A HN 1.011 nan 8.150 nan 0.000 0.443 116 A N 0.004 123.000 122.820 0.294 0.000 1.908 116 A HA -0.221 4.114 4.320 0.025 0.000 0.218 116 A C 1.771 179.481 177.584 0.209 0.000 1.181 116 A CA 2.056 54.273 52.037 0.300 0.000 0.627 116 A CB -0.622 18.460 19.000 0.137 0.000 0.818 116 A HN 0.478 nan 8.150 nan 0.000 0.445 117 D N -1.292 119.209 120.400 0.168 0.000 2.149 117 D HA -0.085 4.570 4.640 0.025 0.000 0.201 117 D C 1.615 178.008 176.300 0.155 0.000 0.972 117 D CA 1.195 55.272 54.000 0.128 0.000 0.835 117 D CB -0.462 40.399 40.800 0.102 0.000 0.966 117 D HN 0.499 nan 8.370 nan 0.000 0.476 118 F N 1.411 121.407 119.950 0.076 0.000 2.075 118 F HA -0.196 4.346 4.527 0.026 0.000 0.297 118 F C 1.887 177.738 175.800 0.084 0.000 1.113 118 F CA 1.013 59.057 58.000 0.073 0.000 1.218 118 F CB -0.332 38.723 39.000 0.093 0.000 0.984 118 F HN -0.148 nan 8.300 nan 0.000 0.472 119 L N 0.988 122.160 121.223 -0.084 0.000 2.017 119 L HA -0.105 4.250 4.340 0.025 0.000 0.208 119 L C 2.791 179.592 176.870 -0.114 0.000 1.073 119 L CA 2.027 56.766 54.840 -0.169 0.000 0.745 119 L CB -2.034 40.082 42.059 0.095 0.000 0.894 119 L HN 0.331 nan 8.230 nan 0.000 0.432 120 A N -1.206 121.609 122.820 -0.009 0.000 2.019 120 A HA -0.149 4.186 4.320 0.025 0.000 0.219 120 A C 2.080 179.641 177.584 -0.037 0.000 1.164 120 A CA 1.296 53.331 52.037 -0.003 0.000 0.644 120 A CB -0.245 18.778 19.000 0.038 0.000 0.805 120 A HN 0.300 nan 8.150 nan 0.000 0.449 121 K N -0.433 119.931 120.400 -0.061 0.000 2.352 121 K HA 0.150 4.485 4.320 0.025 0.000 0.194 121 K C 0.509 177.053 176.600 -0.095 0.000 1.038 121 K CA 0.454 56.708 56.287 -0.055 0.000 1.023 121 K CB -0.006 32.480 32.500 -0.022 0.000 0.840 121 K HN 0.506 nan 8.250 nan 0.000 0.519 122 N N 0.648 119.228 118.700 -0.200 0.000 2.166 122 N HA 0.003 4.758 4.740 0.025 0.000 0.213 122 N C 0.338 175.723 175.510 -0.209 0.000 1.222 122 N CA 0.283 53.202 53.050 -0.220 0.000 0.900 122 N CB 1.496 39.768 38.487 -0.359 0.000 1.055 122 N HN 0.248 nan 8.380 nan 0.000 0.515 123 T N -1.852 112.584 114.554 -0.198 0.000 2.773 123 T HA 0.332 4.697 4.350 0.025 0.000 0.278 123 T C 0.483 175.149 174.700 -0.058 0.000 1.011 123 T CA -0.570 61.459 62.100 -0.119 0.000 1.014 123 T CB 1.585 70.374 68.868 -0.132 0.000 1.293 123 T HN -0.071 nan 8.240 nan 0.000 0.554 124 S N 0.132 115.820 115.700 -0.020 0.000 2.552 124 S HA 0.386 4.871 4.470 0.025 0.000 0.246 124 S C 0.616 175.223 174.600 0.011 0.000 1.019 124 S CA -0.315 57.884 58.200 -0.002 0.000 1.045 124 S CB -1.196 62.011 63.200 0.011 0.000 0.784 124 S HN 1.157 nan 8.310 nan 0.000 0.453 125 V N -0.580 119.339 119.914 0.007 0.000 2.686 125 V HA 0.592 4.727 4.120 0.025 0.000 0.295 125 V C -0.226 175.874 176.094 0.010 0.000 1.055 125 V CA -0.555 61.758 62.300 0.022 0.000 1.050 125 V CB 0.869 32.708 31.823 0.026 0.000 0.984 125 V HN 0.267 nan 8.190 nan 0.000 0.482 134 W N 3.927 125.067 121.300 -0.267 0.000 2.331 134 W HA 0.710 5.385 4.660 0.024 0.000 0.306 134 W C -0.129 176.335 176.519 -0.091 0.000 1.162 134 W CA -0.302 56.954 57.345 -0.149 0.000 1.232 134 W CB 1.622 30.961 29.460 -0.201 0.000 1.235 134 W HN 0.390 nan 8.180 nan 0.000 0.479 135 V N 3.776 123.700 119.914 0.017 0.000 2.715 135 V HA 0.376 4.511 4.120 0.025 0.000 0.310 135 V C 0.264 176.066 176.094 -0.486 0.000 1.054 135 V CA -1.103 61.110 62.300 -0.145 0.000 0.928 135 V CB 1.872 33.619 31.823 -0.126 0.000 1.007 135 V HN 0.561 nan 8.190 nan 0.000 0.437 136 S N 2.761 117.988 115.700 -0.788 0.000 2.584 136 S HA 0.206 4.691 4.470 0.025 0.000 0.270 136 S C -0.168 174.194 174.600 -0.398 0.000 1.346 136 S CA -0.343 57.200 58.200 -1.095 0.000 1.018 136 S CB 0.391 63.068 63.200 -0.872 0.000 0.899 136 S HN 0.785 nan 8.310 nan 0.000 0.542 137 N N 2.362 120.924 118.700 -0.230 0.000 2.476 137 N HA 0.483 5.238 4.740 0.025 0.000 0.257 137 N C -2.648 172.942 175.510 0.134 0.000 0.970 137 N CA -2.028 51.017 53.050 -0.008 0.000 0.938 137 N CB 1.341 39.848 38.487 0.033 0.000 1.144 137 N HN 0.441 nan 8.380 nan 0.000 0.500 138 P HA 0.280 nan 4.420 nan 0.000 0.278 138 P C -0.719 176.642 177.300 0.102 0.000 1.266 138 P CA -0.391 62.792 63.100 0.138 0.000 0.807 138 P CB 1.547 33.381 31.700 0.223 0.000 1.094 139 S N -0.899 114.855 115.700 0.090 0.000 2.720 139 S HA 0.415 4.900 4.470 0.025 0.000 0.287 139 S C -1.682 173.027 174.600 0.182 0.000 1.168 139 S CA -0.661 57.633 58.200 0.157 0.000 0.832 139 S CB 0.254 63.653 63.200 0.330 0.000 1.166 139 S HN 0.475 nan 8.310 nan 0.000 0.493 140 W N 4.630 125.961 121.300 0.051 0.000 2.417 140 W HA 0.259 4.934 4.660 0.025 0.000 0.332 140 W C -1.814 174.639 176.519 -0.109 0.000 1.413 140 W CA -1.580 55.681 57.345 -0.141 0.000 1.299 140 W CB 0.340 29.591 29.460 -0.347 0.000 1.304 140 W HN 0.482 nan 8.180 nan 0.000 0.565 141 P HA -0.244 nan 4.420 nan 0.000 0.220 141 P C 1.040 178.011 177.300 -0.549 0.000 1.148 141 P CA 1.691 64.586 63.100 -0.343 0.000 0.803 141 P CB 0.265 31.818 31.700 -0.245 0.000 0.782 142 N N -0.785 117.220 118.700 -1.157 0.000 2.521 142 N HA -0.100 4.654 4.740 0.025 0.000 0.188 142 N C 1.577 176.654 175.510 -0.722 0.000 1.146 142 N CA 0.432 52.860 53.050 -1.037 0.000 0.893 142 N CB -0.754 36.866 38.487 -1.445 0.000 0.975 142 N HN 0.262 nan 8.380 nan 0.000 0.451 143 H N -0.188 118.610 119.070 -0.452 0.000 2.290 143 H HA -0.094 4.477 4.556 0.025 0.000 0.298 143 H C 1.966 177.315 175.328 0.035 0.000 1.087 143 H CA 1.570 57.596 56.048 -0.036 0.000 1.291 143 H CB 0.135 30.004 29.762 0.179 0.000 1.369 143 H HN 0.138 nan 8.280 nan 0.000 0.492 144 K N 0.579 121.053 120.400 0.123 0.000 2.034 144 K HA -0.207 4.128 4.320 0.025 0.000 0.214 144 K C 2.312 178.922 176.600 0.017 0.000 1.051 144 K CA 2.008 58.340 56.287 0.074 0.000 0.931 144 K CB -0.073 32.424 32.500 -0.006 0.000 0.715 144 K HN 0.183 nan 8.250 nan 0.000 0.446 145 S N 0.334 115.984 115.700 -0.084 0.000 2.370 145 S HA -0.125 4.360 4.470 0.025 0.000 0.226 145 S C 2.017 176.547 174.600 -0.116 0.000 1.033 145 S CA 1.365 59.501 58.200 -0.106 0.000 1.011 145 S CB -0.231 62.873 63.200 -0.160 0.000 0.852 145 S HN 0.132 nan 8.310 nan 0.000 0.457 146 V N 1.157 120.955 119.914 -0.193 0.000 2.244 146 V HA -0.135 4.000 4.120 0.025 0.000 0.244 146 V C 1.995 177.906 176.094 -0.305 0.000 1.042 146 V CA 1.741 63.867 62.300 -0.289 0.000 1.006 146 V CB -0.817 30.755 31.823 -0.419 0.000 0.641 146 V HN 0.391 nan 8.190 nan 0.000 0.446 147 F N 0.833 120.795 119.950 0.020 0.000 2.171 147 F HA -0.129 4.414 4.527 0.025 0.000 0.300 147 F C 2.232 178.028 175.800 -0.008 0.000 1.090 147 F CA 1.751 59.758 58.000 0.012 0.000 1.293 147 F CB -1.044 37.954 39.000 -0.004 0.000 1.013 147 F HN 0.215 nan 8.300 nan 0.000 0.486 148 N N -0.324 118.447 118.700 0.119 0.000 2.223 148 N HA -0.166 4.588 4.740 0.025 0.000 0.185 148 N C 1.934 177.459 175.510 0.025 0.000 1.016 148 N CA 1.186 54.269 53.050 0.055 0.000 0.863 148 N CB -0.188 38.309 38.487 0.017 0.000 0.983 148 N HN 0.261 nan 8.380 nan 0.000 0.429 149 S N 0.280 115.980 115.700 -0.001 0.000 2.447 149 S HA 0.020 4.504 4.470 0.025 0.000 0.233 149 S C 1.724 176.331 174.600 0.011 0.000 1.006 149 S CA 0.719 58.915 58.200 -0.007 0.000 0.957 149 S CB 0.010 63.193 63.200 -0.029 0.000 0.773 149 S HN 0.300 nan 8.310 nan 0.000 0.507 150 A N 0.510 123.350 122.820 0.032 0.000 2.275 150 A HA 0.618 4.953 4.320 0.025 0.000 0.212 150 A C 1.576 179.193 177.584 0.054 0.000 1.201 150 A CA 0.292 52.359 52.037 0.050 0.000 0.843 150 A CB -0.915 18.134 19.000 0.081 0.000 0.873 150 A HN 1.489 nan 8.150 nan 0.000 0.492 151 G N -1.154 107.675 108.800 0.049 0.000 2.137 151 G HA2 -0.186 3.788 3.960 0.025 0.000 0.237 151 G HA3 -0.186 3.788 3.960 0.025 0.000 0.237 151 G C -0.050 174.874 174.900 0.041 0.000 1.002 151 G CA 0.458 45.579 45.100 0.035 0.000 0.702 151 G HN 0.358 nan 8.290 nan 0.000 0.515 155 V N 2.507 122.312 119.914 -0.181 0.000 2.409 155 V HA 0.566 4.701 4.120 0.025 0.000 0.291 155 V C 0.060 175.942 176.094 -0.355 0.000 1.020 155 V CA -0.744 61.408 62.300 -0.247 0.000 0.848 155 V CB 1.461 33.220 31.823 -0.106 0.000 0.990 155 V HN 0.355 nan 8.190 nan 0.000 0.430 156 R N 3.181 123.307 120.500 -0.623 0.000 2.787 156 R HA 0.652 5.007 4.340 0.025 0.000 0.271 156 R C -0.354 175.612 176.300 -0.557 0.000 0.993 156 R CA -0.638 54.980 56.100 -0.804 0.000 0.993 156 R CB 2.296 31.594 30.300 -1.671 0.000 1.155 156 R HN 0.935 nan 8.270 nan 0.000 0.486 157 E N 1.220 121.271 120.200 -0.248 0.000 2.256 157 E HA 0.390 4.755 4.350 0.025 0.000 0.267 157 E C -0.992 175.804 176.600 0.327 0.000 0.892 157 E CA -0.921 55.489 56.400 0.015 0.000 0.775 157 E CB 1.710 31.378 29.700 -0.055 0.000 1.207 157 E HN 0.492 nan 8.360 nan 0.000 0.420 158 Y N -0.220 120.248 120.300 0.279 0.000 2.457 158 Y HA 0.756 5.321 4.550 0.025 0.000 0.333 158 Y C -0.026 175.972 175.900 0.163 0.000 1.119 158 Y CA -1.484 56.749 58.100 0.223 0.000 1.143 158 Y CB 0.865 39.387 38.460 0.104 0.000 1.230 158 Y HN 0.662 nan 8.280 nan 0.000 0.469 159 A N 1.953 124.949 122.820 0.294 0.000 2.483 159 A HA 0.288 4.623 4.320 0.025 0.000 0.238 159 A C -0.674 177.089 177.584 0.297 0.000 1.070 159 A CA 0.395 52.554 52.037 0.204 0.000 0.770 159 A CB -0.182 18.895 19.000 0.129 0.000 1.008 159 A HN 1.042 nan 8.150 nan 0.000 0.497 160 Y N 0.477 120.826 120.300 0.082 0.000 3.299 160 Y HA 0.209 4.774 4.550 0.025 0.000 0.195 160 Y C -0.199 175.765 175.900 0.107 0.000 0.972 160 Y CA 0.123 58.269 58.100 0.078 0.000 1.633 160 Y CB 0.054 38.480 38.460 -0.058 0.000 1.465 160 Y HN 0.670 nan 8.280 nan 0.000 0.367 161 Y N 3.133 123.468 120.300 0.058 0.000 2.304 161 Y HA 0.381 4.946 4.550 0.025 0.000 0.328 161 Y C -0.531 175.353 175.900 -0.027 0.000 1.123 161 Y CA -1.244 56.860 58.100 0.007 0.000 1.218 161 Y CB 0.626 39.189 38.460 0.172 0.000 1.207 161 Y HN 0.154 nan 8.280 nan 0.000 0.495 162 D N 4.936 124.979 120.400 -0.594 0.000 2.396 162 D HA 0.265 4.920 4.640 0.025 0.000 0.225 162 D C 0.615 176.243 176.300 -1.120 0.000 1.121 162 D CA 0.246 53.884 54.000 -0.603 0.000 0.853 162 D CB 1.347 41.920 40.800 -0.378 0.000 1.043 162 D HN 0.801 nan 8.370 nan 0.000 0.500 163 A N 4.020 126.270 122.820 -0.951 0.000 1.978 163 A HA -0.209 4.126 4.320 0.025 0.000 0.220 163 A C 1.851 178.992 177.584 -0.738 0.000 1.170 163 A CA 1.911 53.479 52.037 -0.781 0.000 0.636 163 A CB -0.337 18.490 19.000 -0.289 0.000 0.810 163 A HN 0.689 nan 8.150 nan 0.000 0.448 164 E N 0.597 120.449 120.200 -0.579 0.000 2.005 164 E HA -0.162 4.203 4.350 0.025 0.000 0.191 164 E C 1.271 177.492 176.600 -0.633 0.000 0.987 164 E CA 1.769 57.867 56.400 -0.502 0.000 0.814 164 E CB -0.498 29.029 29.700 -0.288 0.000 0.772 164 E HN 0.498 nan 8.360 nan 0.000 0.453 165 N N -0.413 118.012 118.700 -0.458 0.000 2.461 165 N HA 0.045 4.800 4.740 0.025 0.000 0.188 165 N C -0.799 174.534 175.510 -0.296 0.000 1.134 165 N CA 0.783 53.654 53.050 -0.298 0.000 0.878 165 N CB -0.121 38.271 38.487 -0.157 0.000 0.972 165 N HN 0.337 nan 8.380 nan 0.000 0.456 166 H N -1.622 117.257 119.070 -0.320 0.000 2.672 166 H HA -0.173 4.398 4.556 0.025 0.000 0.325 166 H C -0.039 175.266 175.328 -0.039 0.000 1.158 166 H CA 1.065 56.958 56.048 -0.257 0.000 1.134 166 H CB -1.745 27.608 29.762 -0.682 0.000 1.553 166 H HN 0.133 nan 8.280 nan 0.000 0.419 167 T N -0.962 113.558 114.554 -0.057 0.000 2.647 167 T HA 0.481 4.846 4.350 0.025 0.000 0.295 167 T C -0.857 173.807 174.700 -0.059 0.000 1.126 167 T CA -0.928 61.176 62.100 0.008 0.000 1.040 167 T CB 1.354 70.209 68.868 -0.022 0.000 1.472 167 T HN 0.250 nan 8.240 nan 0.000 0.500 168 L N 2.803 123.963 121.223 -0.105 0.000 2.278 168 L HA 0.348 4.703 4.340 0.025 0.000 0.287 168 L C -0.407 176.376 176.870 -0.145 0.000 1.072 168 L CA -0.212 54.482 54.840 -0.242 0.000 0.819 168 L CB 0.683 42.578 42.059 -0.273 0.000 1.176 168 L HN 0.680 nan 8.230 nan 0.000 0.435 169 D N 4.399 124.706 120.400 -0.155 0.000 2.508 169 D HA -0.072 4.583 4.640 0.025 0.000 0.224 169 D C 0.846 177.151 176.300 0.009 0.000 1.171 169 D CA -0.073 53.882 54.000 -0.074 0.000 1.006 169 D CB 0.226 40.968 40.800 -0.098 0.000 1.073 169 D HN 0.459 nan 8.370 nan 0.000 0.513 170 F N 2.139 122.016 119.950 -0.121 0.000 2.216 170 F HA -0.147 4.395 4.527 0.025 0.000 0.300 170 F C 1.614 177.391 175.800 -0.038 0.000 1.085 170 F CA 1.181 59.131 58.000 -0.084 0.000 1.326 170 F CB 0.352 39.305 39.000 -0.078 0.000 1.027 170 F HN 0.254 nan 8.300 nan 0.000 0.497 171 D N -0.092 120.305 120.400 -0.004 0.000 2.183 171 D HA -0.051 4.604 4.640 0.025 0.000 0.203 171 D C 2.364 178.607 176.300 -0.096 0.000 0.969 171 D CA 1.200 55.148 54.000 -0.087 0.000 0.842 171 D CB -0.481 40.308 40.800 -0.018 0.000 0.957 171 D HN 0.341 nan 8.370 nan 0.000 0.484 172 A N 1.014 123.802 122.820 -0.054 0.000 1.969 172 A HA -0.077 4.258 4.320 0.025 0.000 0.218 172 A C 2.215 179.786 177.584 -0.021 0.000 1.169 172 A CA 0.616 52.634 52.037 -0.031 0.000 0.635 172 A CB -0.638 18.356 19.000 -0.010 0.000 0.810 172 A HN 0.248 nan 8.150 nan 0.000 0.445 173 L N 0.312 121.512 121.223 -0.038 0.000 2.005 173 L HA -0.140 4.215 4.340 0.025 0.000 0.207 173 L C 2.520 179.306 176.870 -0.140 0.000 1.072 173 L CA 2.129 56.971 54.840 0.002 0.000 0.744 173 L CB -0.336 41.738 42.059 0.025 0.000 0.895 173 L HN 0.615 nan 8.230 nan 0.000 0.433 174 I N -2.689 117.701 120.570 -0.299 0.000 2.493 174 I HA -0.181 4.004 4.170 0.025 0.000 0.254 174 I C 1.841 177.872 176.117 -0.144 0.000 1.160 174 I CA 1.193 62.337 61.300 -0.259 0.000 1.445 174 I CB -0.674 37.114 38.000 -0.353 0.000 1.086 174 I HN 0.244 nan 8.210 nan 0.000 0.433 175 N N 1.703 120.333 118.700 -0.116 0.000 2.270 175 N HA -0.093 4.662 4.740 0.025 0.000 0.181 175 N C 1.993 177.468 175.510 -0.058 0.000 1.016 175 N CA 1.668 54.676 53.050 -0.069 0.000 0.870 175 N CB -0.286 38.173 38.487 -0.047 0.000 0.979 175 N HN 0.499 nan 8.380 nan 0.000 0.431 176 S N 0.619 116.288 115.700 -0.052 0.000 2.387 176 S HA 0.007 4.492 4.470 0.025 0.000 0.226 176 S C 1.740 176.189 174.600 -0.253 0.000 1.026 176 S CA 0.340 58.512 58.200 -0.048 0.000 0.972 176 S CB -0.139 63.108 63.200 0.079 0.000 0.814 176 S HN 0.100 nan 8.310 nan 0.000 0.477 177 L N 2.908 123.942 121.223 -0.316 0.000 2.362 177 L HA 0.110 4.465 4.340 0.025 0.000 0.219 177 L C 1.783 178.489 176.870 -0.273 0.000 1.134 177 L CA 0.996 55.505 54.840 -0.550 0.000 0.807 177 L CB -1.373 40.443 42.059 -0.405 0.000 0.927 177 L HN 0.342 nan 8.230 nan 0.000 0.447 178 N N -0.112 118.531 118.700 -0.096 0.000 2.520 178 N HA -0.147 4.608 4.740 0.025 0.000 0.185 178 N C 1.127 176.630 175.510 -0.012 0.000 1.068 178 N CA 0.568 53.629 53.050 0.017 0.000 0.911 178 N CB 0.218 38.704 38.487 -0.001 0.000 0.961 178 N HN 0.553 nan 8.380 nan 0.000 0.446 179 E N 0.549 120.678 120.200 -0.118 0.000 2.427 179 E HA 0.058 4.423 4.350 0.025 0.000 0.196 179 E C 0.398 176.982 176.600 -0.026 0.000 1.028 179 E CA -0.071 56.315 56.400 -0.024 0.000 0.864 179 E CB 0.236 29.997 29.700 0.102 0.000 0.813 179 E HN 0.220 nan 8.360 nan 0.000 0.514 180 A N 1.481 124.101 122.820 -0.333 0.000 2.362 180 A HA 0.210 4.545 4.320 0.025 0.000 0.276 180 A C -0.085 177.616 177.584 0.195 0.000 1.153 180 A CA -0.460 51.409 52.037 -0.280 0.000 0.813 180 A CB 0.458 18.638 19.000 -1.366 0.000 1.081 180 A HN -0.020 nan 8.150 nan 0.000 0.507 181 Q N 0.891 120.844 119.800 0.255 0.000 2.407 181 Q HA 0.532 4.886 4.340 0.025 0.000 0.214 181 Q C 0.539 176.738 176.000 0.333 0.000 1.043 181 Q CA 0.398 56.356 55.803 0.259 0.000 0.983 181 Q CB 0.549 29.394 28.738 0.179 0.000 1.211 181 Q HN 0.933 nan 8.270 nan 0.000 0.564 182 A N 0.211 123.166 122.820 0.225 0.000 2.488 182 A HA 0.460 4.794 4.320 0.025 0.000 0.249 182 A C 0.984 178.681 177.584 0.188 0.000 1.083 182 A CA 0.522 52.678 52.037 0.199 0.000 0.768 182 A CB -0.841 18.217 19.000 0.097 0.000 1.017 182 A HN 0.999 nan 8.150 nan 0.000 0.496 183 G N 2.016 110.947 108.800 0.219 0.000 2.157 183 G HA2 -0.171 3.804 3.960 0.025 0.000 0.239 183 G HA3 -0.171 3.804 3.960 0.025 0.000 0.239 183 G C -0.129 174.879 174.900 0.180 0.000 0.982 183 G CA 0.245 45.452 45.100 0.178 0.000 0.650 183 G HN 0.805 nan 8.290 nan 0.000 0.527 184 D N -0.029 120.507 120.400 0.228 0.000 2.304 184 D HA 0.514 5.169 4.640 0.025 0.000 0.247 184 D C 0.590 176.994 176.300 0.173 0.000 1.089 184 D CA -0.095 54.024 54.000 0.199 0.000 0.910 184 D CB 1.774 42.732 40.800 0.262 0.000 1.199 184 D HN 0.107 nan 8.370 nan 0.000 0.426 185 V N 2.063 122.038 119.914 0.101 0.000 2.439 185 V HA 0.315 4.450 4.120 0.025 0.000 0.282 185 V C 0.036 176.117 176.094 -0.022 0.000 1.039 185 V CA -0.650 61.676 62.300 0.044 0.000 0.913 185 V CB 1.798 33.600 31.823 -0.036 0.000 0.983 185 V HN 0.265 nan 8.190 nan 0.000 0.460 186 V N 7.024 126.883 119.914 -0.092 0.000 2.487 186 V HA 0.512 4.647 4.120 0.025 0.000 0.298 186 V C -0.727 175.153 176.094 -0.358 0.000 1.028 186 V CA -0.691 61.436 62.300 -0.288 0.000 0.860 186 V CB 1.639 33.088 31.823 -0.624 0.000 0.991 186 V HN 0.711 nan 8.190 nan 0.000 0.427 187 L N 7.688 128.699 121.223 -0.352 0.000 2.290 187 L HA 0.584 4.939 4.340 0.025 0.000 0.284 187 L C -1.179 175.400 176.870 -0.484 0.000 1.078 187 L CA 0.398 55.044 54.840 -0.324 0.000 0.815 187 L CB 0.728 42.616 42.059 -0.285 0.000 1.162 187 L HN 0.647 nan 8.230 nan 0.000 0.435 188 F N 3.849 123.627 119.950 -0.287 0.000 2.482 188 F HA 0.393 4.934 4.527 0.024 0.000 0.331 188 F C 0.717 176.478 175.800 -0.065 0.000 1.115 188 F CA -0.652 57.198 58.000 -0.250 0.000 0.955 188 F CB 1.025 39.513 39.000 -0.854 0.000 1.136 188 F HN 0.414 nan 8.300 nan 0.000 0.452 189 H N 2.334 121.591 119.070 0.311 0.000 2.899 189 H HA 0.063 4.634 4.556 0.025 0.000 0.303 189 H C 1.124 176.758 175.328 0.511 0.000 1.042 189 H CA 0.375 56.641 56.048 0.363 0.000 1.479 189 H CB 1.382 31.346 29.762 0.337 0.000 1.493 189 H HN 0.995 nan 8.280 nan 0.000 0.534 190 G N 3.184 112.316 108.800 0.552 0.000 2.440 190 G HA2 -0.177 3.798 3.960 0.025 0.000 0.218 190 G HA3 -0.177 3.798 3.960 0.025 0.000 0.218 190 G C 0.589 175.775 174.900 0.476 0.000 1.154 190 G CA 1.167 46.461 45.100 0.323 0.000 0.767 190 G HN 0.781 nan 8.290 nan 0.000 0.552 191 C N -5.130 114.553 119.300 0.637 0.000 3.275 191 C HA 0.480 4.955 4.460 0.025 0.000 0.340 191 C C 0.351 175.642 174.990 0.502 0.000 1.366 191 C CA -1.041 58.319 59.018 0.569 0.000 1.227 191 C CB 0.574 28.626 27.740 0.520 0.000 1.512 191 C HN 0.916 nan 8.230 nan 0.000 0.461 192 C N 1.567 121.083 119.300 0.360 0.000 3.112 192 C HA -0.142 4.332 4.460 0.025 0.000 0.265 192 C C 0.466 175.567 174.990 0.185 0.000 1.283 192 C CA 1.219 60.346 59.018 0.181 0.000 2.378 192 C CB -3.439 24.283 27.740 -0.031 0.000 1.500 192 C HN 1.461 nan 8.230 nan 0.000 0.483 193 H N 1.732 120.909 119.070 0.179 0.000 3.157 193 H HA 0.218 4.789 4.556 0.025 0.000 0.299 193 H C 0.536 175.852 175.328 -0.021 0.000 0.961 193 H CA 1.189 57.261 56.048 0.040 0.000 1.428 193 H CB 0.449 30.169 29.762 -0.071 0.000 1.459 193 H HN 0.631 nan 8.280 nan 0.000 0.566 194 N N 6.360 124.844 118.700 -0.360 0.000 2.422 194 N HA 0.146 4.901 4.740 0.025 0.000 0.266 194 N C -2.178 173.061 175.510 -0.450 0.000 1.007 194 N CA -2.408 50.486 53.050 -0.260 0.000 0.941 194 N CB 1.561 40.015 38.487 -0.057 0.000 1.115 194 N HN 0.470 nan 8.380 nan 0.000 0.492 195 P HA 0.092 nan 4.420 nan 0.000 0.264 195 P C 0.697 177.691 177.300 -0.510 0.000 1.259 195 P CA 0.414 63.198 63.100 -0.527 0.000 0.841 195 P CB 0.271 31.549 31.700 -0.703 0.000 1.232 196 T N -4.758 109.637 114.554 -0.265 0.000 3.043 196 T HA 0.206 4.571 4.350 0.025 0.000 0.263 196 T C 1.711 176.425 174.700 0.024 0.000 1.094 196 T CA 0.986 62.949 62.100 -0.228 0.000 1.127 196 T CB -1.230 67.548 68.868 -0.151 0.000 0.905 196 T HN 0.161 nan 8.240 nan 0.000 0.490 197 G N 2.270 111.133 108.800 0.105 0.000 2.175 197 G HA2 -0.216 3.759 3.960 0.025 0.000 0.265 197 G HA3 -0.216 3.759 3.960 0.025 0.000 0.265 197 G C 0.132 175.146 174.900 0.191 0.000 0.979 197 G CA 0.371 45.553 45.100 0.137 0.000 0.663 197 G HN 0.835 nan 8.290 nan 0.000 0.533 198 I N -0.692 120.013 120.570 0.225 0.000 2.359 198 I HA 0.623 4.808 4.170 0.025 0.000 0.294 198 I C -0.803 175.466 176.117 0.252 0.000 0.987 198 I CA -0.823 60.598 61.300 0.203 0.000 1.225 198 I CB 1.463 39.545 38.000 0.137 0.000 1.366 198 I HN -0.170 nan 8.210 nan 0.000 0.466 199 D N 6.250 126.774 120.400 0.206 0.000 2.419 199 D HA 0.534 5.189 4.640 0.025 0.000 0.234 199 D C -2.583 173.744 176.300 0.044 0.000 1.014 199 D CA -1.263 52.880 54.000 0.238 0.000 0.919 199 D CB 2.149 43.158 40.800 0.348 0.000 1.366 199 D HN 0.296 nan 8.370 nan 0.000 0.490 200 P HA 0.109 nan 4.420 nan 0.000 0.271 200 P C 0.061 177.186 177.300 -0.291 0.000 1.218 200 P CA -0.063 62.739 63.100 -0.497 0.000 0.780 200 P CB 0.558 31.521 31.700 -1.228 0.000 0.901 201 T N 1.379 115.798 114.554 -0.225 0.000 2.766 201 T HA 0.043 4.408 4.350 0.025 0.000 0.295 201 T C 1.267 176.009 174.700 0.070 0.000 1.024 201 T CA -0.370 61.703 62.100 -0.044 0.000 1.018 201 T CB 0.044 68.861 68.868 -0.085 0.000 1.002 201 T HN 0.238 nan 8.240 nan 0.000 0.532 202 L N 1.890 123.232 121.223 0.199 0.000 2.131 202 L HA 0.057 4.412 4.340 0.025 0.000 0.210 202 L C 2.319 179.303 176.870 0.191 0.000 1.092 202 L CA 1.874 56.891 54.840 0.296 0.000 0.759 202 L CB -0.735 41.437 42.059 0.189 0.000 0.903 202 L HN 0.765 nan 8.230 nan 0.000 0.435 203 E N -1.038 119.201 120.200 0.066 0.000 2.150 203 E HA -0.231 4.134 4.350 0.025 0.000 0.193 203 E C 2.108 178.692 176.600 -0.027 0.000 0.985 203 E CA 1.171 57.581 56.400 0.017 0.000 0.814 203 E CB -0.014 29.671 29.700 -0.025 0.000 0.752 203 E HN 0.670 nan 8.360 nan 0.000 0.466 204 Q N -0.717 118.985 119.800 -0.164 0.000 2.137 204 Q HA -0.121 4.234 4.340 0.025 0.000 0.198 204 Q C 1.720 177.733 176.000 0.021 0.000 0.960 204 Q CA 0.925 56.530 55.803 -0.330 0.000 0.847 204 Q CB -0.046 28.222 28.738 -0.783 0.000 0.915 204 Q HN 0.385 nan 8.270 nan 0.000 0.448 205 W N 1.329 122.694 121.300 0.108 0.000 2.358 205 W HA -0.203 4.472 4.660 0.025 0.000 0.303 205 W C 2.311 178.910 176.519 0.134 0.000 1.208 205 W CA 0.810 58.282 57.345 0.212 0.000 1.274 205 W CB 0.070 29.656 29.460 0.211 0.000 1.138 205 W HN 0.218 nan 8.180 nan 0.000 0.515 206 Q N -0.641 119.334 119.800 0.292 0.000 2.084 206 Q HA -0.205 4.150 4.340 0.025 0.000 0.202 206 Q C 2.350 178.395 176.000 0.075 0.000 0.978 206 Q CA 2.402 58.278 55.803 0.122 0.000 0.844 206 Q CB -0.688 28.105 28.738 0.092 0.000 0.898 206 Q HN 0.369 nan 8.270 nan 0.000 0.426 207 T N -0.771 113.862 114.554 0.131 0.000 2.777 207 T HA -0.106 4.259 4.350 0.025 0.000 0.266 207 T C 1.808 176.594 174.700 0.143 0.000 1.040 207 T CA 0.593 62.775 62.100 0.137 0.000 1.141 207 T CB -0.173 68.832 68.868 0.229 0.000 0.868 207 T HN 0.019 nan 8.240 nan 0.000 0.444 208 L N 1.882 123.253 121.223 0.246 0.000 2.079 208 L HA 0.196 4.551 4.340 0.025 0.000 0.210 208 L C 3.103 179.934 176.870 -0.065 0.000 1.081 208 L CA 1.527 56.526 54.840 0.264 0.000 0.752 208 L CB -1.528 40.822 42.059 0.485 0.000 0.896 208 L HN 0.481 nan 8.230 nan 0.000 0.433 209 A N -1.634 120.913 122.820 -0.455 0.000 1.902 209 A HA -0.261 4.074 4.320 0.025 0.000 0.217 209 A C 2.287 179.685 177.584 -0.310 0.000 1.181 209 A CA 1.712 53.188 52.037 -0.935 0.000 0.623 209 A CB -0.435 18.188 19.000 -0.630 0.000 0.818 209 A HN 0.492 nan 8.150 nan 0.000 0.443 210 Q N -1.306 118.393 119.800 -0.170 0.000 2.049 210 Q HA -0.066 4.289 4.340 0.025 0.000 0.198 210 Q C 2.038 177.960 176.000 -0.130 0.000 0.971 210 Q CA 1.351 57.081 55.803 -0.123 0.000 0.833 210 Q CB -0.216 28.479 28.738 -0.071 0.000 0.896 210 Q HN 0.567 nan 8.270 nan 0.000 0.434 211 L N -0.054 121.113 121.223 -0.094 0.000 2.083 211 L HA -0.160 4.195 4.340 0.025 0.000 0.209 211 L C 2.248 178.920 176.870 -0.330 0.000 1.083 211 L CA 1.786 56.538 54.840 -0.146 0.000 0.752 211 L CB -0.676 41.359 42.059 -0.039 0.000 0.899 211 L HN 0.123 nan 8.230 nan 0.000 0.433 212 S N -1.668 113.918 115.700 -0.189 0.000 2.356 212 S HA -0.172 4.313 4.470 0.025 0.000 0.223 212 S C 2.018 176.481 174.600 -0.229 0.000 1.032 212 S CA 1.569 59.633 58.200 -0.228 0.000 1.005 212 S CB -0.401 63.096 63.200 0.496 0.000 0.867 212 S HN 0.312 nan 8.310 nan 0.000 0.449 213 V N 1.527 121.328 119.914 -0.188 0.000 2.307 213 V HA -0.125 4.010 4.120 0.025 0.000 0.245 213 V C 2.384 178.318 176.094 -0.266 0.000 1.045 213 V CA 2.212 64.329 62.300 -0.305 0.000 1.024 213 V CB -0.624 30.956 31.823 -0.403 0.000 0.651 213 V HN 0.555 nan 8.190 nan 0.000 0.449 214 E N -0.437 119.596 120.200 -0.277 0.000 2.058 214 E HA -0.222 4.142 4.350 0.025 0.000 0.194 214 E C 2.117 178.528 176.600 -0.314 0.000 0.997 214 E CA 1.201 57.447 56.400 -0.256 0.000 0.801 214 E CB -0.116 29.444 29.700 -0.233 0.000 0.746 214 E HN 0.445 nan 8.360 nan 0.000 0.450 215 K N -0.612 119.463 120.400 -0.543 0.000 2.459 215 K HA 0.033 4.368 4.320 0.025 0.000 0.193 215 K C 0.850 177.158 176.600 -0.488 0.000 1.030 215 K CA 0.728 56.599 56.287 -0.693 0.000 1.026 215 K CB 0.768 32.386 32.500 -1.470 0.000 0.809 215 K HN 0.286 nan 8.250 nan 0.000 0.504 216 G N 2.038 110.655 108.800 -0.304 0.000 2.248 216 G HA2 -0.215 3.759 3.960 0.025 0.000 0.263 216 G HA3 -0.215 3.759 3.960 0.025 0.000 0.263 216 G C -0.511 174.529 174.900 0.232 0.000 1.082 216 G CA -0.203 44.884 45.100 -0.021 0.000 0.863 216 G HN 0.318 nan 8.290 nan 0.000 0.495 217 W N -0.787 120.597 121.300 0.140 0.000 2.238 217 W HA 0.553 5.228 4.660 0.025 0.000 0.321 217 W C 0.960 177.614 176.519 0.225 0.000 1.293 217 W CA -1.324 56.119 57.345 0.165 0.000 1.204 217 W CB 0.837 30.420 29.460 0.204 0.000 1.167 217 W HN 0.240 nan 8.180 nan 0.000 0.553 218 L N 6.575 128.044 121.223 0.411 0.000 2.283 218 L HA 0.341 4.696 4.340 0.025 0.000 0.287 218 L C -2.205 174.855 176.870 0.317 0.000 1.073 218 L CA -1.984 53.056 54.840 0.333 0.000 0.822 218 L CB 0.761 42.968 42.059 0.247 0.000 1.186 218 L HN 0.038 nan 8.230 nan 0.000 0.436 219 P HA 0.238 nan 4.420 nan 0.000 0.280 219 P C -1.207 176.243 177.300 0.249 0.000 1.244 219 P CA -0.229 63.062 63.100 0.318 0.000 0.784 219 P CB 1.098 33.013 31.700 0.358 0.000 0.913 220 L N 4.093 125.408 121.223 0.153 0.000 2.372 220 L HA 0.499 4.854 4.340 0.025 0.000 0.273 220 L C -1.261 175.674 176.870 0.108 0.000 0.989 220 L CA -0.804 54.138 54.840 0.170 0.000 0.841 220 L CB 0.466 42.595 42.059 0.116 0.000 1.225 220 L HN 0.199 nan 8.230 nan 0.000 0.414 221 F N 2.581 122.571 119.950 0.068 0.000 2.404 221 F HA 0.266 4.807 4.527 0.024 0.000 0.345 221 F C 0.372 176.218 175.800 0.076 0.000 1.110 221 F CA -0.270 57.749 58.000 0.032 0.000 1.130 221 F CB 1.200 40.116 39.000 -0.140 0.000 1.129 221 F HN 0.405 nan 8.300 nan 0.000 0.500 222 D N 3.457 123.982 120.400 0.208 0.000 2.373 222 D HA 0.187 4.842 4.640 0.025 0.000 0.227 222 D C -1.339 175.121 176.300 0.267 0.000 1.091 222 D CA -0.125 53.976 54.000 0.168 0.000 0.840 222 D CB 0.275 41.114 40.800 0.067 0.000 1.060 222 D HN 0.191 nan 8.370 nan 0.000 0.502 223 F N 3.899 123.867 119.950 0.030 0.000 2.449 223 F HA 0.508 5.052 4.527 0.027 0.000 0.344 223 F C 0.437 176.168 175.800 -0.115 0.000 1.180 223 F CA -1.321 56.687 58.000 0.014 0.000 1.209 223 F CB 0.559 39.550 39.000 -0.015 0.000 1.440 223 F HN 0.464 nan 8.300 nan 0.000 0.526 224 A N 2.624 125.382 122.820 -0.102 0.000 2.195 224 A HA 0.099 4.434 4.320 0.025 0.000 0.210 224 A C 0.055 177.203 177.584 -0.727 0.000 1.165 224 A CA 0.553 52.290 52.037 -0.499 0.000 0.806 224 A CB -0.318 18.235 19.000 -0.744 0.000 0.847 224 A HN 0.503 nan 8.150 nan 0.000 0.482 225 Y N -0.066 120.199 120.300 -0.057 0.000 2.698 225 Y HA 0.303 4.868 4.550 0.025 0.000 0.261 225 Y C 0.531 176.501 175.900 0.116 0.000 1.104 225 Y CA -0.818 57.339 58.100 0.096 0.000 1.145 225 Y CB -0.066 38.451 38.460 0.095 0.000 1.191 225 Y HN 0.347 nan 8.280 nan 0.000 0.564 226 Q N 0.657 120.345 119.800 -0.187 0.000 2.274 226 Q HA 0.348 4.702 4.340 0.025 0.000 0.280 226 Q C 1.170 177.129 176.000 -0.067 0.000 1.047 226 Q CA 1.448 57.082 55.803 -0.282 0.000 0.907 226 Q CB 0.349 28.680 28.738 -0.678 0.000 1.171 226 Q HN 0.802 nan 8.270 nan 0.000 0.381 227 G N 3.213 111.987 108.800 -0.043 0.000 2.213 227 G HA2 -0.273 3.702 3.960 0.025 0.000 0.226 227 G HA3 -0.273 3.702 3.960 0.025 0.000 0.226 227 G C 0.201 174.949 174.900 -0.253 0.000 0.992 227 G CA 0.135 45.119 45.100 -0.193 0.000 0.632 227 G HN 0.668 nan 8.290 nan 0.000 0.511 228 F N 1.211 121.164 119.950 0.006 0.000 2.754 228 F HA 0.540 5.081 4.527 0.023 0.000 0.297 228 F C 2.556 178.370 175.800 0.023 0.000 1.122 228 F CA 1.270 59.275 58.000 0.008 0.000 1.400 228 F CB 0.189 39.224 39.000 0.058 0.000 1.117 228 F HN 0.344 nan 8.300 nan 0.000 0.587 229 A N 0.148 123.095 122.820 0.212 0.000 1.862 229 A HA 0.123 4.458 4.320 0.025 0.000 0.211 229 A C 2.090 179.737 177.584 0.105 0.000 1.220 229 A CA 0.972 53.110 52.037 0.168 0.000 0.616 229 A CB -0.060 19.065 19.000 0.208 0.000 0.878 229 A HN 0.251 nan 8.150 nan 0.000 0.453 230 R N -2.674 117.877 120.500 0.084 0.000 2.437 230 R HA 0.403 4.758 4.340 0.025 0.000 0.184 230 R C 0.638 176.932 176.300 -0.009 0.000 0.850 230 R CA 0.645 56.770 56.100 0.042 0.000 1.073 230 R CB 1.067 31.406 30.300 0.064 0.000 1.336 230 R HN 0.579 nan 8.270 nan 0.000 0.640 234 E N 1.373 121.582 120.200 0.015 0.000 2.107 234 E HA -0.144 4.221 4.350 0.025 0.000 0.191 234 E C 1.543 178.168 176.600 0.041 0.000 0.982 234 E CA 1.490 57.907 56.400 0.028 0.000 0.809 234 E CB 0.180 29.889 29.700 0.014 0.000 0.756 234 E HN 0.489 nan 8.360 nan 0.000 0.459 235 E N 1.021 121.246 120.200 0.043 0.000 2.106 235 E HA -0.130 4.235 4.350 0.025 0.000 0.192 235 E C 1.524 178.181 176.600 0.094 0.000 0.984 235 E CA 1.000 57.436 56.400 0.059 0.000 0.806 235 E CB -0.090 29.644 29.700 0.055 0.000 0.750 235 E HN 0.125 nan 8.360 nan 0.000 0.458 236 D N -0.121 120.356 120.400 0.129 0.000 2.310 236 D HA -0.039 4.616 4.640 0.025 0.000 0.212 236 D C 1.206 177.653 176.300 0.245 0.000 0.965 236 D CA 1.015 55.148 54.000 0.222 0.000 0.879 236 D CB 0.015 40.966 40.800 0.252 0.000 0.921 236 D HN 0.224 nan 8.370 nan 0.000 0.510 237 A N 0.605 123.517 122.820 0.153 0.000 2.308 237 A HA 0.023 4.358 4.320 0.025 0.000 0.217 237 A C 1.810 179.295 177.584 -0.164 0.000 1.216 237 A CA 0.060 52.100 52.037 0.005 0.000 0.864 237 A CB -0.258 18.789 19.000 0.078 0.000 0.902 237 A HN 0.287 nan 8.150 nan 0.000 0.499 238 E N -0.181 119.962 120.200 -0.096 0.000 2.204 238 E HA -0.074 4.291 4.350 0.025 0.000 0.194 238 E C 1.731 178.187 176.600 -0.240 0.000 0.989 238 E CA 1.072 57.412 56.400 -0.101 0.000 0.824 238 E CB -0.512 29.187 29.700 -0.002 0.000 0.756 238 E HN 0.332 nan 8.360 nan 0.000 0.477 239 G N 2.038 110.517 108.800 -0.535 0.000 2.404 239 G HA2 -0.248 3.727 3.960 0.025 0.000 0.215 239 G HA3 -0.248 3.727 3.960 0.025 0.000 0.215 239 G C 1.556 175.934 174.900 -0.869 0.000 1.174 239 G CA 0.892 45.283 45.100 -1.183 0.000 0.780 239 G HN 0.287 nan 8.290 nan 0.000 0.537 240 L N 0.570 121.162 121.223 -1.052 0.000 2.046 240 L HA 0.067 4.422 4.340 0.025 0.000 0.208 240 L C 2.774 179.336 176.870 -0.514 0.000 1.077 240 L CA 1.729 55.801 54.840 -1.281 0.000 0.747 240 L CB -0.497 40.715 42.059 -1.412 0.000 0.896 240 L HN 0.126 nan 8.230 nan 0.000 0.432 241 R N -0.492 119.827 120.500 -0.301 0.000 2.115 241 R HA -0.041 4.314 4.340 0.025 0.000 0.230 241 R C 2.275 178.555 176.300 -0.035 0.000 1.111 241 R CA 1.090 57.143 56.100 -0.079 0.000 0.976 241 R CB -0.554 29.724 30.300 -0.038 0.000 0.870 241 R HN 0.561 nan 8.270 nan 0.000 0.445 242 A N 0.702 123.502 122.820 -0.034 0.000 1.873 242 A HA -0.142 4.192 4.320 0.025 0.000 0.215 242 A C 1.821 179.450 177.584 0.075 0.000 1.186 242 A CA 1.114 53.173 52.037 0.036 0.000 0.616 242 A CB -0.586 18.462 19.000 0.081 0.000 0.823 242 A HN 0.169 nan 8.150 nan 0.000 0.442 243 F N 0.353 120.271 119.950 -0.053 0.000 2.095 243 F HA -0.158 4.384 4.527 0.025 0.000 0.298 243 F C 2.792 178.633 175.800 0.068 0.000 1.104 243 F CA 1.125 59.143 58.000 0.031 0.000 1.232 243 F CB -0.692 38.270 39.000 -0.063 0.000 0.987 243 F HN 0.249 nan 8.300 nan 0.000 0.475 244 A N -0.476 122.418 122.820 0.124 0.000 2.121 244 A HA 0.058 4.393 4.320 0.025 0.000 0.218 244 A C 2.304 179.897 177.584 0.014 0.000 1.154 244 A CA 1.368 53.429 52.037 0.041 0.000 0.679 244 A CB -1.089 17.881 19.000 -0.051 0.000 0.795 244 A HN 0.304 nan 8.150 nan 0.000 0.458 245 A N -1.289 121.548 122.820 0.027 0.000 1.970 245 A HA 0.117 4.452 4.320 0.025 0.000 0.216 245 A C 2.053 179.639 177.584 0.002 0.000 1.170 245 A CA 1.661 53.698 52.037 -0.000 0.000 0.645 245 A CB -0.274 18.724 19.000 -0.002 0.000 0.816 245 A HN 0.520 nan 8.150 nan 0.000 0.447 246 M N -1.213 118.412 119.600 0.040 0.000 2.516 246 M HA 0.161 4.655 4.480 0.025 0.000 0.259 246 M C 0.103 176.368 176.300 -0.060 0.000 1.146 246 M CA 0.579 55.872 55.300 -0.012 0.000 1.122 246 M CB 0.348 32.938 32.600 -0.016 0.000 1.341 246 M HN 0.352 nan 8.290 nan 0.000 0.478 247 H N -0.210 118.864 119.070 0.007 0.000 2.458 247 H HA 0.187 4.758 4.556 0.025 0.000 0.330 247 H C 0.213 175.555 175.328 0.023 0.000 1.111 247 H CA -0.526 55.549 56.048 0.044 0.000 1.245 247 H CB 1.790 31.634 29.762 0.135 0.000 1.456 247 H HN -0.128 nan 8.280 nan 0.000 0.488 248 K N 1.314 121.772 120.400 0.097 0.000 2.155 248 K HA 0.003 4.338 4.320 0.025 0.000 0.203 248 K C -0.108 176.555 176.600 0.104 0.000 1.052 248 K CA 1.086 57.413 56.287 0.066 0.000 0.948 248 K CB 0.409 32.932 32.500 0.038 0.000 0.728 248 K HN 0.649 nan 8.250 nan 0.000 0.448 249 E N -0.277 120.031 120.200 0.181 0.000 2.340 249 E HA 0.564 4.929 4.350 0.025 0.000 0.273 249 E C -1.004 175.741 176.600 0.241 0.000 0.891 249 E CA -0.738 55.773 56.400 0.185 0.000 0.757 249 E CB 2.141 31.954 29.700 0.189 0.000 1.231 249 E HN 0.032 nan 8.360 nan 0.000 0.439 250 L N -1.449 119.897 121.223 0.206 0.000 3.020 250 L HA 0.653 5.008 4.340 0.025 0.000 0.273 250 L C -1.592 175.408 176.870 0.217 0.000 1.018 250 L CA -1.142 53.833 54.840 0.226 0.000 0.950 250 L CB 1.245 43.432 42.059 0.213 0.000 1.510 250 L HN 0.521 nan 8.230 nan 0.000 0.404 251 I N 1.676 122.393 120.570 0.245 0.000 2.582 251 I HA 0.667 4.851 4.170 0.025 0.000 0.292 251 I C -1.098 175.170 176.117 0.253 0.000 1.066 251 I CA -1.034 60.404 61.300 0.230 0.000 1.053 251 I CB 2.417 40.563 38.000 0.242 0.000 1.241 251 I HN 0.500 nan 8.210 nan 0.000 0.421 252 V N 5.458 125.500 119.914 0.214 0.000 2.531 252 V HA 0.847 4.982 4.120 0.025 0.000 0.301 252 V C -0.574 175.619 176.094 0.165 0.000 1.034 252 V CA -0.206 62.215 62.300 0.201 0.000 0.865 252 V CB 1.659 33.547 31.823 0.109 0.000 0.995 252 V HN 0.798 nan 8.190 nan 0.000 0.424 253 A N 5.502 128.430 122.820 0.180 0.000 2.260 253 A HA 0.836 5.171 4.320 0.025 0.000 0.312 253 A C 0.290 177.928 177.584 0.090 0.000 1.321 253 A CA 0.129 52.249 52.037 0.138 0.000 0.928 253 A CB 0.335 19.433 19.000 0.164 0.000 1.158 253 A HN 1.601 nan 8.150 nan 0.000 0.542 254 S N 1.496 117.200 115.700 0.007 0.000 2.648 254 S HA 0.862 5.347 4.470 0.025 0.000 0.305 254 S C -0.182 174.263 174.600 -0.259 0.000 1.094 254 S CA -0.436 57.683 58.200 -0.135 0.000 0.983 254 S CB 1.774 64.842 63.200 -0.221 0.000 1.101 254 S HN 1.280 nan 8.310 nan 0.000 0.514 255 S N -0.160 115.292 115.700 -0.414 0.000 2.541 255 S HA 0.601 5.086 4.470 0.025 0.000 0.280 255 S C -1.418 172.883 174.600 -0.499 0.000 1.112 255 S CA -0.604 57.384 58.200 -0.353 0.000 0.925 255 S CB 0.883 63.911 63.200 -0.286 0.000 1.067 255 S HN 0.689 nan 8.310 nan 0.000 0.479 256 Y N 2.146 122.394 120.300 -0.087 0.000 2.507 256 Y HA 0.297 4.864 4.550 0.029 0.000 0.254 256 Y C 2.258 178.115 175.900 -0.071 0.000 1.171 256 Y CA -0.125 57.954 58.100 -0.036 0.000 1.238 256 Y CB 0.158 38.536 38.460 -0.136 0.000 1.148 256 Y HN 0.617 nan 8.280 nan 0.000 0.525 257 S N 0.304 115.970 115.700 -0.057 0.000 2.370 257 S HA -0.216 4.269 4.470 0.025 0.000 0.226 257 S C 1.800 176.077 174.600 -0.538 0.000 1.033 257 S CA 1.887 59.952 58.200 -0.226 0.000 1.011 257 S CB -0.010 63.108 63.200 -0.137 0.000 0.852 257 S HN 0.382 nan 8.310 nan 0.000 0.457 258 K N 1.431 121.660 120.400 -0.285 0.000 2.190 258 K HA 0.147 4.482 4.320 0.025 0.000 0.202 258 K C 1.715 178.425 176.600 0.182 0.000 1.045 258 K CA 0.903 57.090 56.287 -0.167 0.000 0.976 258 K CB -0.215 32.203 32.500 -0.137 0.000 0.849 258 K HN 0.546 nan 8.250 nan 0.000 0.468 259 N N -0.364 118.525 118.700 0.316 0.000 2.494 259 N HA -0.078 4.677 4.740 0.025 0.000 0.182 259 N C 0.629 176.254 175.510 0.192 0.000 1.076 259 N CA 0.631 53.838 53.050 0.263 0.000 0.908 259 N CB 0.051 38.662 38.487 0.207 0.000 0.967 259 N HN 0.051 nan 8.380 nan 0.000 0.449 260 F N 0.408 120.439 119.950 0.135 0.000 2.682 260 F HA 0.368 4.907 4.527 0.021 0.000 0.308 260 F C 1.458 177.253 175.800 -0.008 0.000 1.093 260 F CA -0.156 57.893 58.000 0.081 0.000 1.244 260 F CB 0.619 39.565 39.000 -0.089 0.000 1.052 260 F HN 0.083 nan 8.300 nan 0.000 0.573 261 G N 1.531 110.337 108.800 0.009 0.000 2.356 261 G HA2 -0.306 3.668 3.960 0.025 0.000 0.296 261 G HA3 -0.306 3.668 3.960 0.025 0.000 0.296 261 G C 0.567 175.430 174.900 -0.063 0.000 1.022 261 G CA 0.413 45.456 45.100 -0.095 0.000 0.961 261 G HN 0.457 nan 8.290 nan 0.000 0.510 262 L N -0.864 120.248 121.223 -0.185 0.000 2.965 262 L HA 0.245 4.600 4.340 0.025 0.000 0.254 262 L C 2.155 179.016 176.870 -0.015 0.000 1.220 262 L CA -0.736 54.086 54.840 -0.031 0.000 1.023 262 L CB -0.220 41.829 42.059 -0.018 0.000 1.355 262 L HN 0.328 nan 8.230 nan 0.000 0.545 263 Y N 1.231 121.583 120.300 0.087 0.000 2.024 263 Y HA -0.430 4.133 4.550 0.022 0.000 0.257 263 Y C 2.417 178.340 175.900 0.039 0.000 1.233 263 Y CA 2.290 60.425 58.100 0.058 0.000 1.087 263 Y CB -0.853 37.646 38.460 0.064 0.000 0.905 263 Y HN 0.550 nan 8.280 nan 0.000 0.503 264 N N -0.499 118.333 118.700 0.220 0.000 2.398 264 N HA -0.068 4.687 4.740 0.025 0.000 0.188 264 N C 0.721 176.274 175.510 0.072 0.000 1.122 264 N CA 0.785 53.908 53.050 0.121 0.000 0.866 264 N CB -0.324 38.224 38.487 0.102 0.000 0.970 264 N HN 0.392 nan 8.380 nan 0.000 0.462 265 E N 0.679 120.919 120.200 0.067 0.000 2.489 265 E HA 0.052 4.416 4.350 0.025 0.000 0.193 265 E C -0.241 176.354 176.600 -0.009 0.000 1.057 265 E CA -0.049 56.373 56.400 0.037 0.000 0.866 265 E CB 0.063 29.794 29.700 0.053 0.000 0.916 265 E HN 0.142 nan 8.360 nan 0.000 0.500 266 R N -0.089 120.409 120.500 -0.003 0.000 3.084 266 R HA -0.134 4.221 4.340 0.025 0.000 0.258 266 R C -0.445 175.820 176.300 -0.058 0.000 0.914 266 R CA 0.260 56.340 56.100 -0.033 0.000 0.646 266 R CB -2.983 27.278 30.300 -0.065 0.000 1.330 266 R HN 0.120 nan 8.270 nan 0.000 0.465 267 V N -0.022 119.880 119.914 -0.020 0.000 2.444 267 V HA 0.938 5.073 4.120 0.025 0.000 0.294 267 V C 0.451 176.661 176.094 0.194 0.000 1.022 267 V CA 0.498 62.803 62.300 0.008 0.000 0.850 267 V CB 1.843 33.615 31.823 -0.084 0.000 0.992 267 V HN 0.734 nan 8.190 nan 0.000 0.426 268 G N 4.261 113.192 108.800 0.218 0.000 2.721 268 G HA2 0.950 4.925 3.960 0.025 0.000 0.296 268 G HA3 0.950 4.925 3.960 0.025 0.000 0.296 268 G C -1.188 173.909 174.900 0.328 0.000 1.383 268 G CA -0.284 44.949 45.100 0.221 0.000 0.788 268 G HN 1.658 nan 8.290 nan 0.000 0.500 269 A N -1.639 121.307 122.820 0.211 0.000 2.549 269 A HA 0.635 4.970 4.320 0.025 0.000 0.297 269 A C -1.191 176.486 177.584 0.155 0.000 1.061 269 A CA -0.363 51.825 52.037 0.252 0.000 0.690 269 A CB 1.494 20.639 19.000 0.240 0.000 1.287 269 A HN 1.760 nan 8.150 nan 0.000 0.402 270 C N 2.117 121.526 119.300 0.182 0.000 2.291 270 C HA 0.749 5.224 4.460 0.025 0.000 0.322 270 C C 0.068 175.156 174.990 0.164 0.000 1.205 270 C CA 0.002 59.119 59.018 0.164 0.000 1.495 270 C CB -0.740 27.103 27.740 0.171 0.000 2.127 270 C HN 0.792 nan 8.230 nan 0.000 0.452 271 T N 6.816 121.450 114.554 0.133 0.000 2.767 271 T HA 0.416 4.781 4.350 0.025 0.000 0.284 271 T C -0.436 174.333 174.700 0.115 0.000 0.973 271 T CA -0.188 61.980 62.100 0.114 0.000 0.996 271 T CB 0.979 69.927 68.868 0.133 0.000 0.927 271 T HN 0.613 nan 8.240 nan 0.000 0.456 272 L N 4.081 125.335 121.223 0.052 0.000 2.307 272 L HA 0.660 5.015 4.340 0.025 0.000 0.284 272 L C -0.936 175.948 176.870 0.024 0.000 1.023 272 L CA -0.808 54.056 54.840 0.039 0.000 0.810 272 L CB 1.448 43.496 42.059 -0.019 0.000 1.231 272 L HN 0.390 nan 8.230 nan 0.000 0.423 273 V N 3.619 123.569 119.914 0.060 0.000 2.540 273 V HA 0.791 4.926 4.120 0.025 0.000 0.302 273 V C 0.002 176.126 176.094 0.051 0.000 1.035 273 V CA -0.461 61.847 62.300 0.014 0.000 0.873 273 V CB 1.583 33.391 31.823 -0.026 0.000 0.992 273 V HN 0.896 nan 8.190 nan 0.000 0.428 274 A N 3.038 125.876 122.820 0.030 0.000 2.486 274 A HA 0.914 5.249 4.320 0.025 0.000 0.289 274 A C 1.102 178.704 177.584 0.029 0.000 1.176 274 A CA 0.058 52.129 52.037 0.057 0.000 0.757 274 A CB 1.297 20.339 19.000 0.070 0.000 1.337 274 A HN 1.195 nan 8.150 nan 0.000 0.423 275 A N -0.421 122.422 122.820 0.038 0.000 1.940 275 A HA 0.174 4.509 4.320 0.025 0.000 0.219 275 A C 0.616 178.202 177.584 0.003 0.000 1.176 275 A CA 2.419 54.468 52.037 0.020 0.000 0.631 275 A CB -0.840 18.175 19.000 0.025 0.000 0.814 275 A HN 1.072 nan 8.150 nan 0.000 0.446 276 D N -4.884 115.520 120.400 0.007 0.000 2.626 276 D HA 0.421 5.076 4.640 0.025 0.000 0.278 276 D C 0.263 176.563 176.300 -0.001 0.000 1.211 276 D CA 0.037 54.036 54.000 -0.001 0.000 0.903 276 D CB 0.559 41.361 40.800 0.004 0.000 1.408 276 D HN -0.147 nan 8.370 nan 0.000 0.454 277 S N -0.950 114.746 115.700 -0.007 0.000 2.584 277 S HA -0.117 4.368 4.470 0.025 0.000 0.240 277 S C 1.007 175.610 174.600 0.005 0.000 0.975 277 S CA 0.783 58.978 58.200 -0.009 0.000 0.949 277 S CB -0.298 62.895 63.200 -0.011 0.000 0.761 277 S HN 0.556 nan 8.310 nan 0.000 0.536 278 E N 0.570 120.780 120.200 0.018 0.000 2.502 278 E HA 0.019 4.384 4.350 0.025 0.000 0.206 278 E C 1.807 178.435 176.600 0.046 0.000 0.821 278 E CA 0.806 57.224 56.400 0.030 0.000 1.354 278 E CB -0.366 29.348 29.700 0.024 0.000 1.336 278 E HN 0.329 nan 8.360 nan 0.000 0.675 279 T N 0.113 114.696 114.554 0.047 0.000 2.857 279 T HA -0.007 4.357 4.350 0.025 0.000 0.266 279 T C 1.890 176.639 174.700 0.082 0.000 1.048 279 T CA 1.485 63.625 62.100 0.067 0.000 1.139 279 T CB -0.152 68.754 68.868 0.064 0.000 0.874 279 T HN 0.005 nan 8.240 nan 0.000 0.455 280 V N 1.384 121.333 119.914 0.057 0.000 2.407 280 V HA -0.099 4.036 4.120 0.025 0.000 0.248 280 V C 2.143 178.286 176.094 0.082 0.000 1.055 280 V CA 2.460 64.791 62.300 0.052 0.000 1.049 280 V CB -0.598 31.218 31.823 -0.012 0.000 0.662 280 V HN 0.488 nan 8.190 nan 0.000 0.455 281 D N -0.396 120.049 120.400 0.076 0.000 2.117 281 D HA -0.165 4.490 4.640 0.025 0.000 0.197 281 D C 2.289 178.683 176.300 0.157 0.000 0.987 281 D CA 1.392 55.465 54.000 0.122 0.000 0.829 281 D CB -0.266 40.583 40.800 0.081 0.000 0.961 281 D HN 0.375 nan 8.370 nan 0.000 0.460 282 R N 0.388 120.962 120.500 0.123 0.000 2.073 282 R HA -0.084 4.271 4.340 0.025 0.000 0.234 282 R C 2.117 178.517 176.300 0.166 0.000 1.134 282 R CA 1.501 57.674 56.100 0.123 0.000 0.952 282 R CB -0.171 30.189 30.300 0.100 0.000 0.850 282 R HN 0.116 nan 8.270 nan 0.000 0.433 283 A N -0.137 122.805 122.820 0.203 0.000 1.930 283 A HA -0.171 4.163 4.320 0.025 0.000 0.217 283 A C 1.935 179.666 177.584 0.244 0.000 1.175 283 A CA 1.052 53.268 52.037 0.298 0.000 0.627 283 A CB -0.646 18.546 19.000 0.319 0.000 0.815 283 A HN 0.472 nan 8.150 nan 0.000 0.443 284 F N 1.811 121.765 119.950 0.006 0.000 2.234 284 F HA -0.122 4.419 4.527 0.024 0.000 0.299 284 F C 2.717 178.512 175.800 -0.008 0.000 1.087 284 F CA 1.383 59.350 58.000 -0.055 0.000 1.340 284 F CB -0.350 38.631 39.000 -0.032 0.000 1.031 284 F HN 0.332 nan 8.300 nan 0.000 0.500 285 S N -0.709 115.041 115.700 0.083 0.000 2.419 285 S HA -0.203 4.282 4.470 0.025 0.000 0.233 285 S C 1.843 176.422 174.600 -0.035 0.000 1.016 285 S CA 1.028 59.216 58.200 -0.020 0.000 0.974 285 S CB -0.492 62.735 63.200 0.044 0.000 0.786 285 S HN 0.465 nan 8.310 nan 0.000 0.492 286 Q N 0.441 120.282 119.800 0.068 0.000 2.163 286 Q HA 0.185 4.539 4.340 0.025 0.000 0.198 286 Q C 2.133 178.206 176.000 0.122 0.000 0.954 286 Q CA 0.985 56.863 55.803 0.126 0.000 0.851 286 Q CB -0.413 28.475 28.738 0.250 0.000 0.928 286 Q HN 0.716 nan 8.270 nan 0.000 0.459 287 M N 0.745 120.364 119.600 0.031 0.000 2.149 287 M HA -0.220 4.275 4.480 0.025 0.000 0.261 287 M C 1.776 177.937 176.300 -0.231 0.000 1.064 287 M CA 1.570 56.789 55.300 -0.135 0.000 1.102 287 M CB 0.098 32.467 32.600 -0.385 0.000 1.369 287 M HN -0.031 nan 8.290 nan 0.000 0.408 288 K N -0.135 120.037 120.400 -0.381 0.000 2.097 288 K HA -0.075 4.260 4.320 0.025 0.000 0.205 288 K C 1.957 178.433 176.600 -0.207 0.000 1.050 288 K CA 1.335 57.404 56.287 -0.364 0.000 0.938 288 K CB -0.225 32.023 32.500 -0.420 0.000 0.718 288 K HN 0.464 nan 8.250 nan 0.000 0.442 289 A N 1.255 123.997 122.820 -0.131 0.000 1.902 289 A HA -0.127 4.207 4.320 0.025 0.000 0.217 289 A C 2.325 179.861 177.584 -0.080 0.000 1.181 289 A CA 1.847 53.833 52.037 -0.085 0.000 0.623 289 A CB -0.721 18.258 19.000 -0.034 0.000 0.818 289 A HN 0.343 nan 8.150 nan 0.000 0.443 290 A N -0.215 122.578 122.820 -0.044 0.000 1.940 290 A HA -0.091 4.243 4.320 0.025 0.000 0.219 290 A C 2.090 179.605 177.584 -0.115 0.000 1.176 290 A CA 1.603 53.623 52.037 -0.028 0.000 0.631 290 A CB -0.582 18.456 19.000 0.063 0.000 0.814 290 A HN 0.505 nan 8.150 nan 0.000 0.446 291 I N -1.353 119.100 120.570 -0.195 0.000 2.202 291 I HA -0.198 3.987 4.170 0.025 0.000 0.242 291 I C 2.639 178.472 176.117 -0.473 0.000 1.091 291 I CA 1.380 62.435 61.300 -0.409 0.000 1.368 291 I CB -0.294 37.486 38.000 -0.367 0.000 1.058 291 I HN 0.282 nan 8.210 nan 0.000 0.410 292 R N 0.935 121.256 120.500 -0.298 0.000 2.117 292 R HA -0.186 4.169 4.340 0.025 0.000 0.243 292 R C 1.976 178.159 176.300 -0.195 0.000 1.143 292 R CA 1.677 57.635 56.100 -0.237 0.000 0.968 292 R CB -0.232 29.968 30.300 -0.167 0.000 0.863 292 R HN 0.398 nan 8.270 nan 0.000 0.444 293 A N -0.112 122.614 122.820 -0.157 0.000 2.259 293 A HA -0.021 4.314 4.320 0.025 0.000 0.208 293 A C 1.263 178.787 177.584 -0.101 0.000 1.201 293 A CA 0.464 52.438 52.037 -0.105 0.000 0.824 293 A CB -0.188 18.772 19.000 -0.067 0.000 0.838 293 A HN 0.342 nan 8.150 nan 0.000 0.485 294 N N -0.771 117.824 118.700 -0.174 0.000 2.804 294 N HA 0.041 4.796 4.740 0.025 0.000 0.233 294 N C 0.879 176.354 175.510 -0.058 0.000 1.020 294 N CA 1.553 54.543 53.050 -0.100 0.000 1.164 294 N CB 0.077 38.511 38.487 -0.089 0.000 1.571 294 N HN 0.432 nan 8.380 nan 0.000 0.551 295 Y N -1.945 118.346 120.300 -0.014 0.000 2.563 295 Y HA 0.603 5.168 4.550 0.026 0.000 0.250 295 Y C 1.186 177.074 175.900 -0.020 0.000 1.126 295 Y CA 0.223 58.317 58.100 -0.010 0.000 1.231 295 Y CB 0.069 38.526 38.460 -0.004 0.000 1.288 295 Y HN 0.065 nan 8.280 nan 0.000 0.537 296 S N 0.851 116.360 115.700 -0.317 0.000 1.539 296 S HA -0.296 4.189 4.470 0.025 0.000 0.239 296 S C -0.224 174.266 174.600 -0.183 0.000 0.755 296 S CA 1.948 60.015 58.200 -0.223 0.000 1.322 296 S CB -1.676 61.448 63.200 -0.127 0.000 1.628 296 S HN 1.022 nan 8.310 nan 0.000 0.515 297 N N 0.393 119.115 118.700 0.035 0.000 2.935 297 N HA 0.615 5.370 4.740 0.025 0.000 0.248 297 N C -3.432 172.251 175.510 0.288 0.000 1.276 297 N CA -1.120 51.998 53.050 0.113 0.000 0.906 297 N CB 1.307 39.818 38.487 0.039 0.000 1.564 297 N HN 0.262 nan 8.380 nan 0.000 0.500 298 P HA 0.424 nan 4.420 nan 0.000 0.281 298 P C -2.668 174.636 177.300 0.005 0.000 1.264 298 P CA -1.455 61.707 63.100 0.104 0.000 0.824 298 P CB 0.193 31.915 31.700 0.038 0.000 1.092 299 P HA 0.033 nan 4.420 nan 0.000 0.266 299 P C 0.412 177.658 177.300 -0.090 0.000 1.215 299 P CA 0.216 63.280 63.100 -0.060 0.000 0.763 299 P CB 0.464 32.117 31.700 -0.079 0.000 0.806 300 A N 3.480 126.269 122.820 -0.052 0.000 1.930 300 A HA -0.181 4.154 4.320 0.025 0.000 0.215 300 A C 2.135 179.673 177.584 -0.076 0.000 1.176 300 A CA 1.339 53.328 52.037 -0.080 0.000 0.632 300 A CB -1.434 17.542 19.000 -0.040 0.000 0.819 300 A HN 0.629 nan 8.150 nan 0.000 0.445 301 H N -0.028 118.974 119.070 -0.112 0.000 2.265 301 H HA -0.118 4.438 4.556 0.001 0.000 0.295 301 H C 2.201 177.452 175.328 -0.127 0.000 1.084 301 H CA 2.367 58.355 56.048 -0.100 0.000 1.261 301 H CB -0.533 29.185 29.762 -0.073 0.000 1.360 301 H HN 0.346 nan 8.280 nan 0.000 0.487 302 G N -0.729 107.982 108.800 -0.147 0.000 2.421 302 G HA2 -0.146 3.829 3.960 0.025 0.000 0.217 302 G HA3 -0.146 3.829 3.960 0.025 0.000 0.217 302 G C 1.835 176.534 174.900 -0.335 0.000 1.143 302 G CA 0.701 45.664 45.100 -0.229 0.000 0.784 302 G HN 0.614 nan 8.290 nan 0.000 0.541 303 A N 0.725 123.317 122.820 -0.379 0.000 1.968 303 A HA 0.118 4.453 4.320 0.025 0.000 0.217 303 A C 2.639 180.023 177.584 -0.334 0.000 1.169 303 A CA 1.969 53.677 52.037 -0.548 0.000 0.638 303 A CB -0.355 18.072 19.000 -0.956 0.000 0.812 303 A HN 0.278 nan 8.150 nan 0.000 0.446 304 S N -0.369 115.164 115.700 -0.277 0.000 2.383 304 S HA -0.101 4.384 4.470 0.025 0.000 0.227 304 S C 1.864 176.333 174.600 -0.218 0.000 1.026 304 S CA 1.262 59.347 58.200 -0.191 0.000 0.981 304 S CB -0.350 62.755 63.200 -0.158 0.000 0.818 304 S HN 0.341 nan 8.310 nan 0.000 0.472 305 V N 1.535 121.257 119.914 -0.319 0.000 2.261 305 V HA -0.151 3.984 4.120 0.025 0.000 0.246 305 V C 2.341 178.228 176.094 -0.344 0.000 1.047 305 V CA 1.517 63.639 62.300 -0.298 0.000 1.015 305 V CB -0.711 30.914 31.823 -0.331 0.000 0.642 305 V HN 0.337 nan 8.190 nan 0.000 0.446 306 V N 0.233 119.829 119.914 -0.531 0.000 2.295 306 V HA -0.273 3.862 4.120 0.025 0.000 0.246 306 V C 2.693 178.497 176.094 -0.483 0.000 1.049 306 V CA 2.104 63.896 62.300 -0.847 0.000 1.024 306 V CB -1.140 29.951 31.823 -1.221 0.000 0.648 306 V HN 0.570 nan 8.190 nan 0.000 0.447 307 A N 0.577 123.249 122.820 -0.248 0.000 1.933 307 A HA -0.236 4.099 4.320 0.025 0.000 0.218 307 A C 2.497 179.998 177.584 -0.138 0.000 1.175 307 A CA 2.593 54.546 52.037 -0.140 0.000 0.628 307 A CB -0.921 18.066 19.000 -0.021 0.000 0.814 307 A HN 0.651 nan 8.150 nan 0.000 0.444 308 T N -2.116 112.358 114.554 -0.133 0.000 2.942 308 T HA 0.040 4.405 4.350 0.025 0.000 0.265 308 T C 1.837 176.448 174.700 -0.149 0.000 1.062 308 T CA 1.095 63.120 62.100 -0.125 0.000 1.139 308 T CB -0.500 68.316 68.868 -0.088 0.000 0.883 308 T HN 0.327 nan 8.240 nan 0.000 0.468 309 I N 1.052 121.535 120.570 -0.144 0.000 2.113 309 I HA -0.096 4.089 4.170 0.025 0.000 0.238 309 I C 2.566 178.634 176.117 -0.080 0.000 1.070 309 I CA 1.468 62.714 61.300 -0.090 0.000 1.332 309 I CB -0.375 37.599 38.000 -0.043 0.000 1.044 309 I HN 0.211 nan 8.210 nan 0.000 0.402 310 L N 0.408 121.554 121.223 -0.129 0.000 2.265 310 L HA -0.151 4.204 4.340 0.025 0.000 0.215 310 L C 2.323 179.154 176.870 -0.065 0.000 1.117 310 L CA 1.353 56.136 54.840 -0.096 0.000 0.782 310 L CB -0.466 41.492 42.059 -0.168 0.000 0.914 310 L HN 0.382 nan 8.230 nan 0.000 0.441 311 S N -1.993 113.658 115.700 -0.082 0.000 2.556 311 S HA 0.050 4.535 4.470 0.025 0.000 0.216 311 S C 0.571 175.133 174.600 -0.063 0.000 0.970 311 S CA -0.506 57.657 58.200 -0.062 0.000 0.912 311 S CB -0.206 62.957 63.200 -0.061 0.000 0.790 311 S HN 0.353 nan 8.310 nan 0.000 0.504 312 N N 1.419 120.076 118.700 -0.072 0.000 2.399 312 N HA 0.212 4.967 4.740 0.025 0.000 0.280 312 N C -0.174 175.310 175.510 -0.043 0.000 1.008 312 N CA -0.234 52.768 53.050 -0.080 0.000 0.894 312 N CB 2.145 40.549 38.487 -0.139 0.000 1.273 312 N HN 0.065 nan 8.380 nan 0.000 0.486 313 D N 3.647 124.028 120.400 -0.031 0.000 2.144 313 D HA -0.017 4.638 4.640 0.025 0.000 0.200 313 D C 1.584 177.879 176.300 -0.008 0.000 0.978 313 D CA 1.627 55.620 54.000 -0.011 0.000 0.833 313 D CB 0.246 41.039 40.800 -0.012 0.000 0.961 313 D HN 0.609 nan 8.370 nan 0.000 0.470 314 A N -0.033 122.774 122.820 -0.021 0.000 1.902 314 A HA -0.093 4.242 4.320 0.025 0.000 0.217 314 A C 2.120 179.700 177.584 -0.006 0.000 1.181 314 A CA 1.063 53.090 52.037 -0.017 0.000 0.623 314 A CB -0.775 18.210 19.000 -0.026 0.000 0.818 314 A HN 0.344 nan 8.150 nan 0.000 0.443 315 L N -0.548 120.667 121.223 -0.014 0.000 2.156 315 L HA 0.004 4.359 4.340 0.025 0.000 0.208 315 L C 2.467 179.383 176.870 0.076 0.000 1.095 315 L CA 1.770 56.616 54.840 0.010 0.000 0.770 315 L CB -0.729 41.310 42.059 -0.034 0.000 0.914 315 L HN 0.476 nan 8.230 nan 0.000 0.439 316 R N -0.900 119.647 120.500 0.080 0.000 2.115 316 R HA -0.071 4.284 4.340 0.025 0.000 0.226 316 R C 2.130 178.524 176.300 0.156 0.000 1.100 316 R CA 1.037 57.246 56.100 0.182 0.000 0.980 316 R CB -0.033 30.349 30.300 0.136 0.000 0.875 316 R HN 0.334 nan 8.270 nan 0.000 0.445 317 A N 1.080 123.934 122.820 0.057 0.000 1.902 317 A HA -0.121 4.213 4.320 0.025 0.000 0.217 317 A C 2.075 179.642 177.584 -0.027 0.000 1.181 317 A CA 1.152 53.189 52.037 -0.001 0.000 0.623 317 A CB -0.384 18.609 19.000 -0.012 0.000 0.818 317 A HN 0.317 nan 8.150 nan 0.000 0.443 318 I N -2.365 118.210 120.570 0.008 0.000 2.202 318 I HA -0.247 3.938 4.170 0.025 0.000 0.242 318 I C 2.405 178.511 176.117 -0.019 0.000 1.091 318 I CA 1.504 62.801 61.300 -0.005 0.000 1.368 318 I CB -0.342 37.671 38.000 0.022 0.000 1.058 318 I HN 0.728 nan 8.210 nan 0.000 0.410 319 W N 2.363 123.587 121.300 -0.128 0.000 2.333 319 W HA -0.225 4.450 4.660 0.025 0.000 0.316 319 W C 2.391 178.758 176.519 -0.253 0.000 1.215 319 W CA 1.671 58.889 57.345 -0.211 0.000 1.278 319 W CB -0.514 28.798 29.460 -0.247 0.000 1.154 319 W HN 0.064 nan 8.180 nan 0.000 0.486 320 E N -0.495 119.312 120.200 -0.656 0.000 2.086 320 E HA -0.336 4.029 4.350 0.025 0.000 0.200 320 E C 2.148 178.417 176.600 -0.553 0.000 1.012 320 E CA 1.795 57.728 56.400 -0.779 0.000 0.812 320 E CB -0.471 28.994 29.700 -0.392 0.000 0.743 320 E HN 0.336 nan 8.360 nan 0.000 0.453 321 Q N 0.401 120.000 119.800 -0.336 0.000 2.119 321 Q HA -0.151 4.204 4.340 0.025 0.000 0.201 321 Q C 1.847 177.675 176.000 -0.286 0.000 0.972 321 Q CA 1.181 56.829 55.803 -0.257 0.000 0.847 321 Q CB -0.031 28.614 28.738 -0.156 0.000 0.903 321 Q HN 0.416 nan 8.270 nan 0.000 0.433 322 E N 0.060 120.077 120.200 -0.305 0.000 2.204 322 E HA -0.170 4.195 4.350 0.025 0.000 0.194 322 E C 1.918 178.284 176.600 -0.389 0.000 0.989 322 E CA 0.548 56.789 56.400 -0.266 0.000 0.824 322 E CB -0.005 29.590 29.700 -0.175 0.000 0.756 322 E HN 0.111 nan 8.360 nan 0.000 0.477 323 L N 0.847 121.696 121.223 -0.625 0.000 2.095 323 L HA -0.095 4.260 4.340 0.025 0.000 0.204 323 L C 2.562 179.087 176.870 -0.576 0.000 1.080 323 L CA 2.089 56.492 54.840 -0.729 0.000 0.759 323 L CB -0.673 40.755 42.059 -1.052 0.000 0.914 323 L HN 0.093 nan 8.230 nan 0.000 0.439 324 T N -3.000 111.278 114.554 -0.460 0.000 2.951 324 T HA -0.138 4.226 4.350 0.025 0.000 0.268 324 T C 1.565 176.123 174.700 -0.236 0.000 1.073 324 T CA 1.365 63.273 62.100 -0.318 0.000 1.134 324 T CB -0.467 68.256 68.868 -0.241 0.000 0.884 324 T HN 0.352 nan 8.240 nan 0.000 0.479 325 D N 0.982 121.248 120.400 -0.222 0.000 2.144 325 D HA 0.025 4.680 4.640 0.025 0.000 0.200 325 D C 2.101 178.329 176.300 -0.120 0.000 0.978 325 D CA 1.076 54.995 54.000 -0.136 0.000 0.833 325 D CB -0.311 40.429 40.800 -0.100 0.000 0.961 325 D HN 0.490 nan 8.370 nan 0.000 0.470 326 M N -0.089 119.362 119.600 -0.248 0.000 2.175 326 M HA -0.084 4.411 4.480 0.025 0.000 0.264 326 M C 2.325 178.558 176.300 -0.111 0.000 1.063 326 M CA 0.977 56.090 55.300 -0.311 0.000 1.119 326 M CB -0.085 32.094 32.600 -0.701 0.000 1.377 326 M HN -0.108 nan 8.290 nan 0.000 0.415 327 R N 0.532 120.911 120.500 -0.202 0.000 2.073 327 R HA -0.171 4.184 4.340 0.025 0.000 0.234 327 R C 2.105 178.402 176.300 -0.005 0.000 1.134 327 R CA 1.742 57.794 56.100 -0.081 0.000 0.952 327 R CB -0.086 30.105 30.300 -0.181 0.000 0.850 327 R HN 0.438 nan 8.270 nan 0.000 0.433 328 Q N -0.351 119.427 119.800 -0.038 0.000 2.084 328 Q HA -0.170 4.184 4.340 0.025 0.000 0.202 328 Q C 2.234 178.251 176.000 0.030 0.000 0.978 328 Q CA 1.491 57.289 55.803 -0.009 0.000 0.844 328 Q CB -0.117 28.604 28.738 -0.029 0.000 0.898 328 Q HN 0.277 nan 8.270 nan 0.000 0.426 329 R N 0.530 121.067 120.500 0.061 0.000 2.103 329 R HA -0.181 4.173 4.340 0.025 0.000 0.242 329 R C 2.096 178.453 176.300 0.096 0.000 1.142 329 R CA 1.460 57.620 56.100 0.099 0.000 0.960 329 R CB -0.221 30.200 30.300 0.201 0.000 0.858 329 R HN 0.264 nan 8.270 nan 0.000 0.439 330 I N 0.438 121.087 120.570 0.131 0.000 2.202 330 I HA -0.280 3.905 4.170 0.025 0.000 0.242 330 I C 2.403 178.547 176.117 0.046 0.000 1.091 330 I CA 1.337 62.691 61.300 0.090 0.000 1.368 330 I CB -0.262 37.819 38.000 0.135 0.000 1.058 330 I HN 0.271 nan 8.210 nan 0.000 0.410 331 Q N 0.243 120.073 119.800 0.050 0.000 2.124 331 Q HA -0.224 4.131 4.340 0.025 0.000 0.202 331 Q C 2.326 178.345 176.000 0.032 0.000 0.977 331 Q CA 1.354 57.180 55.803 0.039 0.000 0.850 331 Q CB -0.117 28.641 28.738 0.033 0.000 0.901 331 Q HN 0.313 nan 8.270 nan 0.000 0.429 332 R N -0.166 120.351 120.500 0.029 0.000 2.075 332 R HA -0.007 4.348 4.340 0.025 0.000 0.232 332 R C 2.045 178.360 176.300 0.025 0.000 1.126 332 R CA 1.180 57.295 56.100 0.024 0.000 0.963 332 R CB -0.166 30.146 30.300 0.021 0.000 0.858 332 R HN 0.225 nan 8.270 nan 0.000 0.435 333 M N 0.186 119.797 119.600 0.018 0.000 2.229 333 M HA -0.043 4.451 4.480 0.025 0.000 0.264 333 M C 1.844 178.158 176.300 0.023 0.000 1.063 333 M CA 1.510 56.813 55.300 0.006 0.000 1.114 333 M CB -0.654 31.925 32.600 -0.035 0.000 1.387 333 M HN 0.082 nan 8.290 nan 0.000 0.420 334 R N -0.312 120.200 120.500 0.021 0.000 2.075 334 R HA -0.157 4.198 4.340 0.025 0.000 0.232 334 R C 2.231 178.585 176.300 0.089 0.000 1.126 334 R CA 1.250 57.382 56.100 0.052 0.000 0.963 334 R CB -0.384 29.942 30.300 0.044 0.000 0.858 334 R HN 0.372 nan 8.270 nan 0.000 0.435 335 Q N 0.735 120.570 119.800 0.057 0.000 2.046 335 Q HA -0.037 4.318 4.340 0.025 0.000 0.200 335 Q C 2.080 178.105 176.000 0.042 0.000 0.975 335 Q CA 1.104 56.933 55.803 0.044 0.000 0.836 335 Q CB -0.067 28.689 28.738 0.029 0.000 0.896 335 Q HN 0.271 nan 8.270 nan 0.000 0.428 336 L N -0.477 120.775 121.223 0.049 0.000 2.201 336 L HA -0.151 4.203 4.340 0.025 0.000 0.212 336 L C 1.931 178.842 176.870 0.068 0.000 1.105 336 L CA 0.834 55.698 54.840 0.041 0.000 0.775 336 L CB -0.178 41.904 42.059 0.038 0.000 0.913 336 L HN 0.317 nan 8.230 nan 0.000 0.440 337 F N -0.143 119.757 119.950 -0.084 0.000 2.084 337 F HA -0.180 4.362 4.527 0.026 0.000 0.296 337 F C 2.226 177.932 175.800 -0.157 0.000 1.111 337 F CA 1.693 59.615 58.000 -0.130 0.000 1.224 337 F CB -0.553 38.365 39.000 -0.137 0.000 0.991 337 F HN -0.237 nan 8.300 nan 0.000 0.471 338 V N 2.374 122.235 119.914 -0.088 0.000 2.255 338 V HA -0.380 3.755 4.120 0.025 0.000 0.247 338 V C 2.283 178.273 176.094 -0.174 0.000 1.051 338 V CA 2.356 64.541 62.300 -0.191 0.000 1.018 338 V CB -1.163 30.626 31.823 -0.057 0.000 0.641 338 V HN 0.626 nan 8.190 nan 0.000 0.445 339 N N -0.808 117.834 118.700 -0.096 0.000 2.416 339 N HA -0.111 4.644 4.740 0.025 0.000 0.177 339 N C 1.547 176.993 175.510 -0.106 0.000 1.036 339 N CA 1.388 54.388 53.050 -0.084 0.000 0.901 339 N CB -0.268 38.193 38.487 -0.043 0.000 0.976 339 N HN 0.417 nan 8.380 nan 0.000 0.444 340 T N 1.859 116.341 114.554 -0.120 0.000 2.833 340 T HA 0.051 4.416 4.350 0.025 0.000 0.269 340 T C 2.013 176.595 174.700 -0.196 0.000 1.054 340 T CA 0.556 62.582 62.100 -0.122 0.000 1.135 340 T CB -0.077 68.737 68.868 -0.089 0.000 0.869 340 T HN 0.157 nan 8.240 nan 0.000 0.466 341 L N 0.577 121.598 121.223 -0.336 0.000 2.141 341 L HA -0.069 4.286 4.340 0.025 0.000 0.209 341 L C 2.560 179.313 176.870 -0.195 0.000 1.094 341 L CA 1.225 55.837 54.840 -0.380 0.000 0.763 341 L CB -0.419 41.217 42.059 -0.704 0.000 0.908 341 L HN 0.291 nan 8.230 nan 0.000 0.437 342 Q N -0.746 118.969 119.800 -0.141 0.000 2.482 342 Q HA -0.138 4.217 4.340 0.025 0.000 0.209 342 Q C 1.514 177.478 176.000 -0.059 0.000 0.961 342 Q CA 0.490 56.250 55.803 -0.072 0.000 0.945 342 Q CB 0.298 29.006 28.738 -0.050 0.000 1.012 342 Q HN 0.374 nan 8.270 nan 0.000 0.515 343 E N -0.022 120.136 120.200 -0.070 0.000 2.162 343 E HA -0.006 4.359 4.350 0.025 0.000 0.193 343 E C 1.374 177.944 176.600 -0.050 0.000 0.953 343 E CA 0.511 56.881 56.400 -0.049 0.000 0.849 343 E CB 0.429 30.102 29.700 -0.045 0.000 0.810 343 E HN -0.021 nan 8.360 nan 0.000 0.470 344 K N 0.077 120.435 120.400 -0.071 0.000 2.365 344 K HA 0.100 4.434 4.320 0.025 0.000 0.199 344 K C 0.399 176.967 176.600 -0.052 0.000 1.045 344 K CA 0.817 57.065 56.287 -0.065 0.000 0.962 344 K CB -0.234 32.211 32.500 -0.091 0.000 0.759 344 K HN 0.233 nan 8.250 nan 0.000 0.469 345 G N 1.250 110.019 108.800 -0.052 0.000 3.379 345 G HA2 0.023 3.998 3.960 0.025 0.000 0.653 345 G HA3 0.023 3.998 3.960 0.025 0.000 0.653 345 G C -0.458 174.436 174.900 -0.010 0.000 0.872 345 G CA -0.013 45.072 45.100 -0.026 0.000 0.754 345 G HN 0.519 nan 8.290 nan 0.000 0.467 346 A N 2.289 125.117 122.820 0.013 0.000 2.608 346 A HA 0.752 5.087 4.320 0.025 0.000 0.292 346 A C -0.181 177.433 177.584 0.050 0.000 1.066 346 A CA -0.097 51.962 52.037 0.036 0.000 0.676 346 A CB 1.260 20.295 19.000 0.059 0.000 1.277 346 A HN 1.868 nan 8.150 nan 0.000 0.413 347 N N 1.402 120.126 118.700 0.040 0.000 2.416 347 N HA 0.272 5.027 4.740 0.025 0.000 0.271 347 N C 0.010 175.536 175.510 0.027 0.000 1.245 347 N CA 0.335 53.401 53.050 0.028 0.000 0.940 347 N CB -0.262 38.236 38.487 0.018 0.000 1.175 347 N HN 0.781 nan 8.380 nan 0.000 0.483 348 R N 1.204 121.719 120.500 0.024 0.000 2.734 348 R HA 0.526 4.881 4.340 0.025 0.000 0.271 348 R C -1.842 174.442 176.300 -0.028 0.000 1.021 348 R CA -0.841 55.248 56.100 -0.020 0.000 0.893 348 R CB 1.027 31.450 30.300 0.204 0.000 1.244 348 R HN 0.222 nan 8.270 nan 0.000 0.464 349 D N 1.081 121.402 120.400 -0.132 0.000 2.584 349 D HA 0.261 4.916 4.640 0.025 0.000 0.238 349 D C -1.145 175.066 176.300 -0.148 0.000 1.302 349 D CA -0.363 53.615 54.000 -0.035 0.000 0.884 349 D CB 0.299 41.127 40.800 0.047 0.000 1.456 349 D HN 0.480 nan 8.370 nan 0.000 0.528 350 F N 0.787 120.608 119.950 -0.214 0.000 2.797 350 F HA 0.056 4.598 4.527 0.025 0.000 0.302 350 F C 2.409 177.821 175.800 -0.646 0.000 1.130 350 F CA 0.317 57.947 58.000 -0.617 0.000 1.387 350 F CB 0.123 38.849 39.000 -0.456 0.000 1.107 350 F HN 0.270 nan 8.300 nan 0.000 0.577 351 S N 0.119 115.721 115.700 -0.163 0.000 2.442 351 S HA -0.261 4.224 4.470 0.025 0.000 0.236 351 S C 1.955 176.539 174.600 -0.026 0.000 1.007 351 S CA 0.967 59.128 58.200 -0.065 0.000 0.965 351 S CB -1.414 61.798 63.200 0.021 0.000 0.773 351 S HN 0.514 nan 8.310 nan 0.000 0.504 352 F N 1.730 121.743 119.950 0.105 0.000 2.307 352 F HA 0.053 4.595 4.527 0.025 0.000 0.301 352 F C 1.768 177.652 175.800 0.140 0.000 1.076 352 F CA -0.023 58.048 58.000 0.119 0.000 1.383 352 F CB -0.889 38.185 39.000 0.125 0.000 1.055 352 F HN 0.100 nan 8.300 nan 0.000 0.526 353 I N 1.196 121.684 120.570 -0.137 0.000 2.361 353 I HA -0.217 3.968 4.170 0.025 0.000 0.251 353 I C 2.283 178.461 176.117 0.102 0.000 1.133 353 I CA 1.007 62.341 61.300 0.057 0.000 1.413 353 I CB -0.883 37.133 38.000 0.027 0.000 1.073 353 I HN 0.231 nan 8.210 nan 0.000 0.424 354 I N 0.719 121.331 120.570 0.070 0.000 3.001 354 I HA -0.153 4.032 4.170 0.025 0.000 0.268 354 I C 1.937 178.113 176.117 0.099 0.000 1.267 354 I CA 0.947 62.291 61.300 0.074 0.000 1.472 354 I CB -0.930 37.102 38.000 0.053 0.000 1.089 354 I HN 0.172 nan 8.210 nan 0.000 0.468 355 K N 0.591 121.073 120.400 0.137 0.000 2.393 355 K HA 0.174 4.509 4.320 0.025 0.000 0.193 355 K C 0.686 177.377 176.600 0.151 0.000 1.026 355 K CA 0.136 56.507 56.287 0.140 0.000 1.064 355 K CB 0.258 32.854 32.500 0.159 0.000 0.833 355 K HN 0.441 nan 8.250 nan 0.000 0.521 356 Q N 0.835 120.736 119.800 0.168 0.000 2.205 356 Q HA 0.255 4.610 4.340 0.025 0.000 0.249 356 Q C -0.432 175.641 176.000 0.122 0.000 0.948 356 Q CA -0.551 55.350 55.803 0.164 0.000 0.895 356 Q CB 1.100 29.958 28.738 0.200 0.000 1.249 356 Q HN -0.008 nan 8.270 nan 0.000 0.458 357 N N 0.182 118.953 118.700 0.118 0.000 2.321 357 N HA 0.582 5.337 4.740 0.025 0.000 0.299 357 N C -0.079 175.455 175.510 0.040 0.000 1.048 357 N CA 0.324 53.434 53.050 0.100 0.000 0.836 357 N CB 1.854 40.426 38.487 0.142 0.000 1.269 357 N HN 0.856 nan 8.380 nan 0.000 0.486 358 G N 0.680 109.488 108.800 0.012 0.000 2.545 358 G HA2 -0.244 3.731 3.960 0.025 0.000 0.216 358 G HA3 -0.244 3.731 3.960 0.025 0.000 0.216 358 G C 0.453 175.215 174.900 -0.230 0.000 1.314 358 G CA -0.110 44.917 45.100 -0.122 0.000 0.906 358 G HN 0.482 nan 8.290 nan 0.000 0.563 359 M N -0.289 119.001 119.600 -0.517 0.000 2.541 359 M HA 0.356 4.851 4.480 0.025 0.000 0.252 359 M C 0.026 175.934 176.300 -0.653 0.000 1.125 359 M CA 0.896 55.812 55.300 -0.639 0.000 1.091 359 M CB 0.202 32.210 32.600 -0.986 0.000 1.420 359 M HN 0.216 nan 8.290 nan 0.000 0.486 360 F N -0.079 119.760 119.950 -0.185 0.000 2.522 360 F HA 0.576 5.117 4.527 0.025 0.000 0.324 360 F C 0.285 176.019 175.800 -0.110 0.000 1.077 360 F CA -1.168 56.741 58.000 -0.151 0.000 0.944 360 F CB 1.719 40.604 39.000 -0.192 0.000 1.175 360 F HN -0.128 nan 8.300 nan 0.000 0.468 361 S N 0.450 116.240 115.700 0.149 0.000 2.567 361 S HA 0.606 5.091 4.470 0.025 0.000 0.270 361 S C -1.551 173.169 174.600 0.201 0.000 1.152 361 S CA -0.930 57.339 58.200 0.115 0.000 0.835 361 S CB 1.111 64.427 63.200 0.193 0.000 1.115 361 S HN 0.227 nan 8.310 nan 0.000 0.459 362 F N 3.207 123.223 119.950 0.109 0.000 2.506 362 F HA 0.309 4.851 4.527 0.025 0.000 0.371 362 F C 2.091 178.047 175.800 0.260 0.000 1.078 362 F CA -0.827 57.238 58.000 0.109 0.000 1.195 362 F CB 0.836 39.816 39.000 -0.032 0.000 1.099 362 F HN 0.871 nan 8.300 nan 0.000 0.548 363 S N 1.622 117.603 115.700 0.469 0.000 2.453 363 S HA 0.112 4.597 4.470 0.025 0.000 0.231 363 S C 1.632 176.550 174.600 0.531 0.000 1.005 363 S CA 0.450 58.973 58.200 0.537 0.000 0.949 363 S CB -0.439 63.028 63.200 0.444 0.000 0.774 363 S HN 1.231 nan 8.310 nan 0.000 0.510 364 G N 0.396 109.389 108.800 0.322 0.000 2.132 364 G HA2 -0.174 3.801 3.960 0.025 0.000 0.228 364 G HA3 -0.174 3.801 3.960 0.025 0.000 0.228 364 G C -0.268 174.737 174.900 0.176 0.000 1.000 364 G CA 0.036 45.265 45.100 0.214 0.000 0.693 364 G HN 0.420 nan 8.290 nan 0.000 0.515 365 L N 1.747 123.078 121.223 0.179 0.000 2.395 365 L HA 0.653 5.008 4.340 0.025 0.000 0.269 365 L C 1.607 178.518 176.870 0.070 0.000 1.133 365 L CA 0.239 55.164 54.840 0.141 0.000 0.812 365 L CB 1.051 43.205 42.059 0.158 0.000 1.125 365 L HN 0.461 nan 8.230 nan 0.000 0.452 366 T N -0.665 113.922 114.554 0.055 0.000 2.788 366 T HA 0.193 4.558 4.350 0.025 0.000 0.287 366 T C 1.116 175.830 174.700 0.023 0.000 1.007 366 T CA -0.354 61.761 62.100 0.025 0.000 1.005 366 T CB 0.491 69.374 68.868 0.024 0.000 1.012 366 T HN 0.714 nan 8.240 nan 0.000 0.530 367 K N 0.655 121.060 120.400 0.008 0.000 2.209 367 K HA -0.169 4.166 4.320 0.025 0.000 0.204 367 K C 1.504 178.115 176.600 0.018 0.000 1.048 367 K CA 1.614 57.907 56.287 0.011 0.000 0.940 367 K CB -0.176 32.325 32.500 0.002 0.000 0.729 367 K HN 0.808 nan 8.250 nan 0.000 0.451 368 E N 1.113 121.325 120.200 0.021 0.000 2.076 368 E HA -0.137 4.228 4.350 0.025 0.000 0.190 368 E C 2.255 178.879 176.600 0.039 0.000 0.979 368 E CA 0.867 57.283 56.400 0.026 0.000 0.807 368 E CB -0.059 29.656 29.700 0.025 0.000 0.761 368 E HN 0.435 nan 8.360 nan 0.000 0.454 369 Q N 0.683 120.512 119.800 0.048 0.000 2.084 369 Q HA -0.139 4.216 4.340 0.025 0.000 0.202 369 Q C 2.574 178.612 176.000 0.064 0.000 0.978 369 Q CA 1.830 57.671 55.803 0.064 0.000 0.844 369 Q CB -0.149 28.633 28.738 0.073 0.000 0.898 369 Q HN 0.311 nan 8.270 nan 0.000 0.426 370 V N -1.835 118.110 119.914 0.052 0.000 2.626 370 V HA -0.178 3.957 4.120 0.025 0.000 0.252 370 V C 1.935 178.040 176.094 0.018 0.000 1.067 370 V CA 1.258 63.584 62.300 0.044 0.000 1.081 370 V CB -0.569 31.279 31.823 0.043 0.000 0.686 370 V HN 0.284 nan 8.190 nan 0.000 0.468 371 L N 0.971 122.205 121.223 0.017 0.000 2.027 371 L HA -0.098 4.257 4.340 0.025 0.000 0.206 371 L C 3.141 180.019 176.870 0.014 0.000 1.074 371 L CA 2.267 57.106 54.840 -0.001 0.000 0.745 371 L CB -0.306 41.756 42.059 0.006 0.000 0.898 371 L HN 0.437 nan 8.230 nan 0.000 0.433 372 R N -0.951 119.582 120.500 0.055 0.000 2.276 372 R HA -0.090 4.265 4.340 0.025 0.000 0.203 372 R C 1.893 178.315 176.300 0.204 0.000 1.017 372 R CA 0.521 56.677 56.100 0.094 0.000 1.010 372 R CB -0.344 30.028 30.300 0.120 0.000 0.900 372 R HN 0.207 nan 8.270 nan 0.000 0.469 373 L N 1.510 122.837 121.223 0.173 0.000 2.005 373 L HA -0.044 4.311 4.340 0.025 0.000 0.207 373 L C 2.852 179.782 176.870 0.100 0.000 1.072 373 L CA 1.723 56.689 54.840 0.210 0.000 0.744 373 L CB -0.629 41.481 42.059 0.086 0.000 0.895 373 L HN 0.171 nan 8.230 nan 0.000 0.433 374 R N -0.574 119.866 120.500 -0.100 0.000 2.070 374 R HA -0.172 4.183 4.340 0.025 0.000 0.233 374 R C 2.236 178.408 176.300 -0.214 0.000 1.137 374 R CA 1.594 57.453 56.100 -0.400 0.000 0.945 374 R CB -0.260 29.727 30.300 -0.522 0.000 0.845 374 R HN 0.348 nan 8.270 nan 0.000 0.430 375 E N 0.763 120.900 120.200 -0.106 0.000 2.016 375 E HA -0.207 4.157 4.350 0.025 0.000 0.190 375 E C 1.611 178.157 176.600 -0.091 0.000 0.985 375 E CA 1.477 57.834 56.400 -0.071 0.000 0.802 375 E CB -0.064 29.606 29.700 -0.050 0.000 0.762 375 E HN 0.446 nan 8.360 nan 0.000 0.448 376 E N -1.736 118.384 120.200 -0.133 0.000 2.318 376 E HA -0.048 4.317 4.350 0.025 0.000 0.193 376 E C 1.061 177.279 176.600 -0.637 0.000 0.998 376 E CA 0.312 56.472 56.400 -0.400 0.000 0.859 376 E CB 0.161 29.547 29.700 -0.522 0.000 0.812 376 E HN 0.171 nan 8.360 nan 0.000 0.492 377 F N -1.371 118.585 119.950 0.010 0.000 2.767 377 F HA 0.353 4.895 4.527 0.024 0.000 0.323 377 F C 1.272 177.115 175.800 0.071 0.000 1.091 377 F CA 0.267 58.288 58.000 0.035 0.000 1.192 377 F CB 1.507 40.528 39.000 0.035 0.000 1.056 377 F HN 0.074 nan 8.300 nan 0.000 0.571 378 G N 1.406 110.335 108.800 0.215 0.000 2.160 378 G HA2 -0.253 3.722 3.960 0.025 0.000 0.251 378 G HA3 -0.253 3.722 3.960 0.025 0.000 0.251 378 G C -0.180 174.981 174.900 0.436 0.000 1.008 378 G CA 0.231 45.527 45.100 0.327 0.000 0.724 378 G HN 0.165 nan 8.290 nan 0.000 0.514 379 V N 0.809 120.895 119.914 0.287 0.000 2.370 379 V HA 0.530 4.664 4.120 0.025 0.000 0.279 379 V C -0.168 176.038 176.094 0.185 0.000 1.029 379 V CA -0.887 61.575 62.300 0.270 0.000 0.870 379 V CB 0.903 32.820 31.823 0.157 0.000 0.984 379 V HN 0.225 nan 8.190 nan 0.000 0.451 380 Y N 3.444 123.823 120.300 0.131 0.000 2.335 380 Y HA 0.735 5.301 4.550 0.026 0.000 0.339 380 Y C 0.458 176.385 175.900 0.045 0.000 0.987 380 Y CA -0.341 57.822 58.100 0.104 0.000 1.140 380 Y CB 1.688 40.223 38.460 0.125 0.000 1.173 380 Y HN 0.744 nan 8.280 nan 0.000 0.486 381 A N 2.131 125.022 122.820 0.117 0.000 2.485 381 A HA 0.847 5.182 4.320 0.025 0.000 0.292 381 A C -1.271 176.370 177.584 0.096 0.000 1.147 381 A CA -0.847 51.250 52.037 0.100 0.000 0.750 381 A CB 0.798 19.852 19.000 0.090 0.000 1.331 381 A HN 0.407 nan 8.150 nan 0.000 0.419 382 V N 0.903 120.877 119.914 0.099 0.000 2.649 382 V HA 0.406 4.541 4.120 0.025 0.000 0.292 382 V C 1.696 177.840 176.094 0.083 0.000 1.055 382 V CA 0.353 62.707 62.300 0.090 0.000 1.023 382 V CB 0.818 32.695 31.823 0.090 0.000 0.992 382 V HN 1.296 nan 8.190 nan 0.000 0.480 383 A N 3.175 126.030 122.820 0.060 0.000 2.084 383 A HA -0.133 4.202 4.320 0.025 0.000 0.221 383 A C 2.135 179.736 177.584 0.027 0.000 1.161 383 A CA 1.876 53.937 52.037 0.039 0.000 0.653 383 A CB -0.590 18.426 19.000 0.026 0.000 0.802 383 A HN 1.120 nan 8.150 nan 0.000 0.457 384 S N -1.872 113.858 115.700 0.050 0.000 2.607 384 S HA 0.343 4.828 4.470 0.025 0.000 0.224 384 S C 1.469 176.033 174.600 -0.060 0.000 0.969 384 S CA 0.985 59.175 58.200 -0.017 0.000 0.927 384 S CB -0.544 62.728 63.200 0.120 0.000 0.772 384 S HN 1.884 nan 8.310 nan 0.000 0.533 385 G N 1.519 110.359 108.800 0.067 0.000 2.184 385 G HA2 -0.342 3.633 3.960 0.025 0.000 0.264 385 G HA3 -0.342 3.633 3.960 0.025 0.000 0.264 385 G C 0.158 175.231 174.900 0.289 0.000 0.975 385 G CA 0.177 45.356 45.100 0.132 0.000 0.642 385 G HN 0.722 nan 8.290 nan 0.000 0.536 386 R N 0.162 120.900 120.500 0.397 0.000 2.522 386 R HA 0.438 4.792 4.340 0.025 0.000 0.284 386 R C -0.454 175.973 176.300 0.210 0.000 1.032 386 R CA 0.153 56.469 56.100 0.359 0.000 1.049 386 R CB 0.543 30.967 30.300 0.206 0.000 0.956 386 R HN 0.151 nan 8.270 nan 0.000 0.422 387 V N 4.506 124.533 119.914 0.188 0.000 2.680 387 V HA 0.196 4.331 4.120 0.025 0.000 0.309 387 V C -0.719 175.444 176.094 0.115 0.000 1.052 387 V CA -0.947 61.410 62.300 0.095 0.000 0.908 387 V CB 2.037 33.864 31.823 0.007 0.000 1.001 387 V HN 0.794 nan 8.190 nan 0.000 0.431 388 N N 4.328 123.061 118.700 0.054 0.000 2.485 388 N HA 0.195 4.950 4.740 0.025 0.000 0.243 388 N C 0.688 176.087 175.510 -0.184 0.000 0.987 388 N CA -0.057 52.952 53.050 -0.068 0.000 0.940 388 N CB 1.690 40.148 38.487 -0.049 0.000 1.122 388 N HN 0.379 nan 8.380 nan 0.000 0.509 389 V N 3.262 123.038 119.914 -0.231 0.000 2.469 389 V HA -0.230 3.904 4.120 0.025 0.000 0.251 389 V C 2.076 178.048 176.094 -0.204 0.000 1.064 389 V CA 2.252 64.407 62.300 -0.242 0.000 1.066 389 V CB -0.802 30.900 31.823 -0.201 0.000 0.667 389 V HN 0.785 nan 8.190 nan 0.000 0.461 390 A N 0.049 122.741 122.820 -0.213 0.000 2.239 390 A HA 0.154 4.488 4.320 0.025 0.000 0.209 390 A C 2.067 179.501 177.584 -0.250 0.000 1.171 390 A CA 1.084 52.981 52.037 -0.232 0.000 0.768 390 A CB -0.569 18.272 19.000 -0.264 0.000 0.790 390 A HN 0.548 nan 8.150 nan 0.000 0.478 391 G N -1.125 107.552 108.800 -0.204 0.000 3.042 391 G HA2 0.332 4.306 3.960 0.025 0.000 0.212 391 G HA3 0.332 4.306 3.960 0.025 0.000 0.212 391 G C 0.501 175.318 174.900 -0.137 0.000 1.166 391 G CA -0.331 44.665 45.100 -0.174 0.000 0.767 391 G HN 0.453 nan 8.290 nan 0.000 0.546 392 M N 1.998 121.512 119.600 -0.143 0.000 2.233 392 M HA 0.388 4.882 4.480 0.025 0.000 0.355 392 M C 0.163 176.415 176.300 -0.080 0.000 1.191 392 M CA -0.187 55.052 55.300 -0.103 0.000 1.101 392 M CB 1.677 34.202 32.600 -0.126 0.000 1.592 392 M HN 0.086 nan 8.290 nan 0.000 0.461 393 T N -0.778 113.747 114.554 -0.048 0.000 2.916 393 T HA 0.496 4.860 4.350 0.025 0.000 0.292 393 T C -2.456 172.236 174.700 -0.013 0.000 1.055 393 T CA -1.973 60.106 62.100 -0.036 0.000 1.009 393 T CB 1.819 70.667 68.868 -0.032 0.000 1.118 393 T HN 0.287 nan 8.240 nan 0.000 0.497 394 P HA -0.071 nan 4.420 nan 0.000 0.217 394 P C 0.913 178.215 177.300 0.004 0.000 1.148 394 P CA 0.989 64.090 63.100 0.002 0.000 0.828 394 P CB 0.095 31.796 31.700 0.002 0.000 0.783 395 D N -1.158 119.244 120.400 0.003 0.000 2.194 395 D HA -0.076 4.579 4.640 0.025 0.000 0.204 395 D C 1.360 177.667 176.300 0.012 0.000 0.964 395 D CA 1.022 55.026 54.000 0.007 0.000 0.846 395 D CB -0.436 40.368 40.800 0.006 0.000 0.962 395 D HN 0.315 nan 8.370 nan 0.000 0.490 396 N N 0.159 118.866 118.700 0.011 0.000 2.336 396 N HA -0.052 4.703 4.740 0.025 0.000 0.189 396 N C 1.509 177.034 175.510 0.025 0.000 1.113 396 N CA 0.100 53.162 53.050 0.021 0.000 0.858 396 N CB -0.254 38.247 38.487 0.023 0.000 0.970 396 N HN -0.049 nan 8.380 nan 0.000 0.471 397 M N 0.982 120.595 119.600 0.022 0.000 2.106 397 M HA 0.039 4.534 4.480 0.025 0.000 0.259 397 M C 1.846 178.160 176.300 0.024 0.000 1.068 397 M CA 1.469 56.791 55.300 0.037 0.000 1.100 397 M CB -0.641 31.979 32.600 0.034 0.000 1.351 397 M HN 0.327 nan 8.290 nan 0.000 0.404 398 A N 0.341 123.167 122.820 0.010 0.000 1.872 398 A HA 0.020 4.354 4.320 0.025 0.000 0.214 398 A C -0.301 177.281 177.584 -0.003 0.000 1.187 398 A CA 1.164 53.199 52.037 -0.004 0.000 0.614 398 A CB -2.169 16.829 19.000 -0.003 0.000 0.826 398 A HN 0.482 nan 8.150 nan 0.000 0.442 399 P HA -0.184 nan 4.420 nan 0.000 0.218 399 P C 1.772 179.076 177.300 0.006 0.000 1.148 399 P CA 0.902 64.016 63.100 0.024 0.000 0.822 399 P CB -0.143 31.587 31.700 0.050 0.000 0.784 400 L N -0.341 120.892 121.223 0.016 0.000 1.988 400 L HA -0.147 4.208 4.340 0.025 0.000 0.207 400 L C 2.478 179.330 176.870 -0.030 0.000 1.071 400 L CA 1.911 56.763 54.840 0.020 0.000 0.744 400 L CB -0.859 41.240 42.059 0.066 0.000 0.893 400 L HN 0.014 nan 8.230 nan 0.000 0.433 401 C N 0.062 119.338 119.300 -0.039 0.000 2.422 401 C HA -0.141 4.334 4.460 0.025 0.000 0.279 401 C C 2.538 177.438 174.990 -0.151 0.000 1.305 401 C CA 0.601 59.538 59.018 -0.135 0.000 1.757 401 C CB -0.898 26.746 27.740 -0.161 0.000 1.962 401 C HN 0.548 nan 8.230 nan 0.000 0.499 402 E N 0.794 120.925 120.200 -0.115 0.000 2.051 402 E HA -0.170 4.195 4.350 0.025 0.000 0.192 402 E C 2.428 178.885 176.600 -0.239 0.000 0.991 402 E CA 1.351 57.678 56.400 -0.123 0.000 0.799 402 E CB -0.251 29.411 29.700 -0.063 0.000 0.748 402 E HN 0.661 nan 8.360 nan 0.000 0.449 403 A N 1.289 123.903 122.820 -0.344 0.000 1.908 403 A HA -0.197 4.137 4.320 0.025 0.000 0.218 403 A C 2.157 179.368 177.584 -0.622 0.000 1.181 403 A CA 1.213 52.755 52.037 -0.824 0.000 0.627 403 A CB -0.630 17.991 19.000 -0.632 0.000 0.818 403 A HN 0.164 nan 8.150 nan 0.000 0.445 404 I N -0.723 119.663 120.570 -0.307 0.000 2.202 404 I HA -0.194 3.991 4.170 0.025 0.000 0.242 404 I C 2.356 178.385 176.117 -0.147 0.000 1.091 404 I CA 1.062 62.252 61.300 -0.184 0.000 1.368 404 I CB -0.323 37.594 38.000 -0.137 0.000 1.058 404 I HN 0.153 nan 8.210 nan 0.000 0.410 405 V N 1.214 121.036 119.914 -0.153 0.000 2.407 405 V HA -0.193 3.942 4.120 0.025 0.000 0.248 405 V C 1.603 177.657 176.094 -0.067 0.000 1.055 405 V CA 1.325 63.573 62.300 -0.087 0.000 1.049 405 V CB -0.883 30.886 31.823 -0.090 0.000 0.662 405 V HN 0.429 nan 8.190 nan 0.000 0.455 409 L N 0.000 121.251 121.223 0.046 0.000 2.949 409 L HA 0.000 4.355 4.340 0.025 0.000 0.249 409 L CA 0.000 54.880 54.840 0.067 0.000 0.813 409 L CB 0.000 42.112 42.059 0.088 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502