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 2f8c_1_F DATA FIRST_RESID 8 DATA SEQUENCE DVYAQEKQDF VQHFSQIVRV LTEDEMGHPE IGDAIARLKE VLEYNAIGGK DATA SEQUENCE YNRGLTVVVA FRELVEPRKQ DADSLQRAWT VGWCVELLQA FFLVADDIMD DATA SEQUENCE SSLTRRGQIC WYQKPGVGLD AINDANLLEA CIYRLLKLYC REQPYYLNLI DATA SEQUENCE ELFLQSSYQT EIGQTLDLLT APQGNVDLVR FTEKRYKSIV KYKTAFYSFY DATA SEQUENCE LPIAAAMYMA GIDGEKEHAN AKKILLEMGE FFQIQDDYLD LFGDPSVTGK DATA SEQUENCE IGTDIQDNKC SWLVVQCLQR ATPEQYQILK ENYGQKEAEK VARVKALYEE DATA SEQUENCE LDLPAVFLQY EEDSYSHIMA LIEQYAAPLP PAVFLGLARK IYK 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 8 D HA 0.000 nan 4.640 nan 0.000 0.175 8 D C 0.000 176.363 176.300 0.106 0.000 2.045 8 D CA 0.000 54.062 54.000 0.103 0.000 0.868 8 D CB 0.000 40.852 40.800 0.086 0.000 0.688 9 V N 1.140 121.125 119.914 0.118 0.000 2.515 9 V HA -0.131 3.989 4.120 0.001 0.000 0.250 9 V C 1.935 178.031 176.094 0.003 0.000 1.058 9 V CA 1.687 64.015 62.300 0.047 0.000 1.064 9 V CB -0.683 31.146 31.823 0.010 0.000 0.675 9 V HN 0.346 nan 8.190 nan 0.000 0.461 10 Y N 0.725 121.021 120.300 -0.007 0.000 2.200 10 Y HA -0.088 4.462 4.550 0.001 0.000 0.290 10 Y C 2.558 178.457 175.900 -0.002 0.000 1.137 10 Y CA 1.369 59.457 58.100 -0.021 0.000 1.163 10 Y CB -0.862 37.586 38.460 -0.021 0.000 0.988 10 Y HN 0.176 nan 8.280 nan 0.000 0.518 11 A N 0.456 123.383 122.820 0.178 0.000 1.902 11 A HA -0.257 4.064 4.320 0.001 0.000 0.217 11 A C 2.145 179.773 177.584 0.074 0.000 1.181 11 A CA 1.796 53.902 52.037 0.114 0.000 0.623 11 A CB -0.902 18.155 19.000 0.095 0.000 0.818 11 A HN 0.643 nan 8.150 nan 0.000 0.443 12 Q N -1.269 118.565 119.800 0.058 0.000 2.364 12 Q HA -0.071 4.269 4.340 0.001 0.000 0.207 12 Q C 0.982 177.000 176.000 0.030 0.000 0.970 12 Q CA 1.349 57.175 55.803 0.038 0.000 0.888 12 Q CB -0.067 28.689 28.738 0.031 0.000 0.951 12 Q HN 0.576 nan 8.270 nan 0.000 0.469 13 E N 0.935 121.149 120.200 0.022 0.000 2.431 13 E HA 0.026 4.376 4.350 0.001 0.000 0.200 13 E C 1.314 177.945 176.600 0.052 0.000 0.995 13 E CA 0.041 56.453 56.400 0.021 0.000 0.915 13 E CB 0.237 29.913 29.700 -0.040 0.000 0.930 13 E HN 0.387 nan 8.360 nan 0.000 0.496 14 K N 1.121 121.554 120.400 0.054 0.000 2.001 14 K HA -0.206 4.114 4.320 0.001 0.000 0.214 14 K C 2.004 178.648 176.600 0.073 0.000 1.050 14 K CA 1.402 57.736 56.287 0.078 0.000 0.934 14 K CB 0.211 32.773 32.500 0.103 0.000 0.718 14 K HN -0.054 nan 8.250 nan 0.000 0.443 15 Q N 0.933 120.755 119.800 0.036 0.000 2.096 15 Q HA -0.186 4.154 4.340 0.001 0.000 0.204 15 Q C 1.784 177.746 176.000 -0.064 0.000 0.982 15 Q CA 1.595 57.392 55.803 -0.009 0.000 0.850 15 Q CB -0.450 28.280 28.738 -0.012 0.000 0.901 15 Q HN 0.500 nan 8.270 nan 0.000 0.422 16 D N -0.112 120.258 120.400 -0.051 0.000 2.117 16 D HA -0.147 4.494 4.640 0.001 0.000 0.197 16 D C 1.792 177.981 176.300 -0.185 0.000 0.987 16 D CA 0.705 54.612 54.000 -0.155 0.000 0.829 16 D CB -0.386 40.404 40.800 -0.015 0.000 0.961 16 D HN 0.171 nan 8.370 nan 0.000 0.460 17 F N 1.948 121.846 119.950 -0.085 0.000 2.102 17 F HA -0.204 4.324 4.527 0.001 0.000 0.298 17 F C 2.290 178.143 175.800 0.089 0.000 1.105 17 F CA 1.023 59.040 58.000 0.029 0.000 1.239 17 F CB -0.334 38.614 39.000 -0.086 0.000 0.991 17 F HN -0.250 nan 8.300 nan 0.000 0.474 18 V N 0.457 120.357 119.914 -0.022 0.000 2.343 18 V HA -0.323 3.798 4.120 0.001 0.000 0.247 18 V C 2.268 178.275 176.094 -0.146 0.000 1.051 18 V CA 2.217 64.470 62.300 -0.079 0.000 1.036 18 V CB -0.890 30.857 31.823 -0.126 0.000 0.654 18 V HN 0.400 nan 8.190 nan 0.000 0.451 19 Q N -0.737 118.915 119.800 -0.248 0.000 2.226 19 Q HA -0.228 4.112 4.340 0.001 0.000 0.204 19 Q C 1.990 177.743 176.000 -0.411 0.000 0.975 19 Q CA 1.724 57.342 55.803 -0.309 0.000 0.866 19 Q CB -0.255 28.267 28.738 -0.359 0.000 0.915 19 Q HN 0.776 nan 8.270 nan 0.000 0.440 20 H N -1.342 117.439 119.070 -0.481 0.000 2.546 20 H HA -0.081 4.476 4.556 0.001 0.000 0.277 20 H C 1.344 176.262 175.328 -0.683 0.000 1.004 20 H CA 0.374 55.934 56.048 -0.814 0.000 1.231 20 H CB 0.085 28.873 29.762 -1.624 0.000 1.382 20 H HN 0.202 nan 8.280 nan 0.000 0.580 21 F N 1.110 120.653 119.950 -0.678 0.000 2.216 21 F HA -0.215 4.312 4.527 0.001 0.000 0.300 21 F C 2.174 177.651 175.800 -0.539 0.000 1.085 21 F CA 1.013 58.449 58.000 -0.939 0.000 1.326 21 F CB -0.157 38.281 39.000 -0.937 0.000 1.027 21 F HN -0.024 nan 8.300 nan 0.000 0.497 22 S N -0.201 115.296 115.700 -0.339 0.000 2.383 22 S HA -0.289 4.181 4.470 0.001 0.000 0.229 22 S C 1.992 176.418 174.600 -0.289 0.000 1.030 22 S CA 1.485 59.510 58.200 -0.292 0.000 1.002 22 S CB -0.506 62.599 63.200 -0.158 0.000 0.829 22 S HN 0.590 nan 8.310 nan 0.000 0.467 23 Q N 0.429 120.093 119.800 -0.227 0.000 2.046 23 Q HA -0.103 4.238 4.340 0.001 0.000 0.200 23 Q C 2.001 177.935 176.000 -0.110 0.000 0.975 23 Q CA 1.086 56.836 55.803 -0.088 0.000 0.836 23 Q CB -0.139 28.645 28.738 0.077 0.000 0.896 23 Q HN 0.353 nan 8.270 nan 0.000 0.428 24 I N 0.638 121.072 120.570 -0.227 0.000 2.113 24 I HA -0.292 3.879 4.170 0.001 0.000 0.242 24 I C 2.439 178.342 176.117 -0.356 0.000 1.064 24 I CA 1.150 62.282 61.300 -0.281 0.000 1.320 24 I CB -1.422 36.248 38.000 -0.551 0.000 1.028 24 I HN 0.141 nan 8.210 nan 0.000 0.406 25 V N 0.692 120.257 119.914 -0.583 0.000 2.343 25 V HA -0.260 3.860 4.120 0.001 0.000 0.247 25 V C 2.772 178.723 176.094 -0.239 0.000 1.051 25 V CA 1.994 64.016 62.300 -0.463 0.000 1.036 25 V CB -0.761 30.727 31.823 -0.558 0.000 0.654 25 V HN 0.402 nan 8.190 nan 0.000 0.451 26 R N 0.022 120.406 120.500 -0.193 0.000 2.070 26 R HA -0.137 4.203 4.340 0.001 0.000 0.233 26 R C 2.173 178.429 176.300 -0.074 0.000 1.137 26 R CA 1.905 57.940 56.100 -0.109 0.000 0.945 26 R CB -0.388 29.863 30.300 -0.082 0.000 0.845 26 R HN 0.370 nan 8.270 nan 0.000 0.430 27 V N 1.306 121.191 119.914 -0.049 0.000 2.594 27 V HA -0.202 3.918 4.120 0.001 0.000 0.253 27 V C 2.228 178.300 176.094 -0.036 0.000 1.069 27 V CA 1.432 63.716 62.300 -0.027 0.000 1.082 27 V CB -0.324 31.521 31.823 0.037 0.000 0.680 27 V HN 0.357 nan 8.190 nan 0.000 0.469 28 L N 0.417 121.606 121.223 -0.056 0.000 2.240 28 L HA -0.032 4.308 4.340 0.001 0.000 0.211 28 L C 2.171 179.013 176.870 -0.047 0.000 1.106 28 L CA 1.664 56.473 54.840 -0.051 0.000 0.793 28 L CB -0.444 41.569 42.059 -0.077 0.000 0.927 28 L HN 0.542 nan 8.230 nan 0.000 0.446 29 T N -4.063 110.455 114.554 -0.060 0.000 3.223 29 T HA 0.120 4.471 4.350 0.001 0.000 0.259 29 T C 0.864 175.542 174.700 -0.036 0.000 1.015 29 T CA 0.057 62.130 62.100 -0.044 0.000 0.908 29 T CB 0.145 68.980 68.868 -0.055 0.000 1.054 29 T HN 0.536 nan 8.240 nan 0.000 0.567 30 E N 1.195 121.373 120.200 -0.037 0.000 2.444 30 E HA 0.006 4.357 4.350 0.001 0.000 0.203 30 E C 1.401 177.979 176.600 -0.037 0.000 0.847 30 E CA 0.238 56.615 56.400 -0.038 0.000 1.142 30 E CB -0.398 29.274 29.700 -0.046 0.000 1.125 30 E HN 0.327 nan 8.360 nan 0.000 0.521 31 D N 0.965 121.344 120.400 -0.035 0.000 2.384 31 D HA -0.170 4.470 4.640 0.001 0.000 0.222 31 D C 1.234 177.534 176.300 -0.001 0.000 0.976 31 D CA 0.732 54.712 54.000 -0.033 0.000 0.915 31 D CB 0.095 40.874 40.800 -0.034 0.000 0.896 31 D HN 0.192 nan 8.370 nan 0.000 0.523 32 E N -0.600 119.611 120.200 0.019 0.000 2.434 32 E HA 0.114 4.465 4.350 0.001 0.000 0.207 32 E C 1.962 178.599 176.600 0.061 0.000 0.929 32 E CA -0.099 56.352 56.400 0.085 0.000 1.001 32 E CB 0.035 29.779 29.700 0.075 0.000 1.016 32 E HN 0.213 nan 8.360 nan 0.000 0.502 33 M N 0.289 119.893 119.600 0.007 0.000 2.539 33 M HA -0.009 4.472 4.480 0.001 0.000 0.261 33 M C 1.863 178.137 176.300 -0.042 0.000 1.069 33 M CA 0.791 56.088 55.300 -0.005 0.000 1.081 33 M CB -1.183 31.407 32.600 -0.017 0.000 1.412 33 M HN 0.032 nan 8.290 nan 0.000 0.482 34 G N -0.873 107.863 108.800 -0.107 0.000 2.559 34 G HA2 -0.122 3.838 3.960 0.001 0.000 0.216 34 G HA3 -0.122 3.838 3.960 0.001 0.000 0.216 34 G C 0.528 175.236 174.900 -0.320 0.000 1.126 34 G CA 0.298 45.271 45.100 -0.212 0.000 0.778 34 G HN 0.477 nan 8.290 nan 0.000 0.543 35 H N 0.151 119.213 119.070 -0.014 0.000 2.643 35 H HA 0.219 4.776 4.556 0.001 0.000 0.259 35 H C -1.747 173.576 175.328 -0.009 0.000 1.298 35 H CA -1.847 54.195 56.048 -0.011 0.000 1.301 35 H CB 1.694 31.449 29.762 -0.010 0.000 1.422 35 H HN 0.101 nan 8.280 nan 0.000 0.521 36 P HA -0.169 nan 4.420 nan 0.000 0.221 36 P C 1.497 178.826 177.300 0.047 0.000 1.145 36 P CA 1.066 64.191 63.100 0.043 0.000 0.795 36 P CB 0.364 32.076 31.700 0.021 0.000 0.775 37 E N 0.760 120.996 120.200 0.060 0.000 2.110 37 E HA -0.167 4.183 4.350 0.001 0.000 0.193 37 E C 1.670 178.289 176.600 0.032 0.000 0.988 37 E CA 1.123 57.547 56.400 0.039 0.000 0.804 37 E CB -1.088 28.632 29.700 0.034 0.000 0.745 37 E HN 0.360 nan 8.360 nan 0.000 0.458 38 I N -1.633 118.962 120.570 0.041 0.000 3.810 38 I HA 0.366 4.536 4.170 0.001 0.000 0.322 38 I C 1.783 177.919 176.117 0.032 0.000 1.288 38 I CA 0.136 61.453 61.300 0.029 0.000 1.143 38 I CB 0.077 38.091 38.000 0.023 0.000 1.012 38 I HN 0.014 nan 8.210 nan 0.000 0.423 39 G N 1.791 110.611 108.800 0.033 0.000 2.469 39 G HA2 -0.258 3.703 3.960 0.001 0.000 0.219 39 G HA3 -0.258 3.703 3.960 0.001 0.000 0.219 39 G C 1.101 176.015 174.900 0.024 0.000 1.150 39 G CA 1.195 46.311 45.100 0.027 0.000 0.763 39 G HN 0.396 nan 8.290 nan 0.000 0.561 40 D N 0.768 121.183 120.400 0.025 0.000 2.178 40 D HA 0.038 4.678 4.640 0.001 0.000 0.202 40 D C 2.749 179.070 176.300 0.034 0.000 0.974 40 D CA 1.061 55.078 54.000 0.028 0.000 0.841 40 D CB -0.343 40.472 40.800 0.026 0.000 0.953 40 D HN 0.329 nan 8.370 nan 0.000 0.478 41 A N 0.929 123.768 122.820 0.031 0.000 1.898 41 A HA -0.109 4.211 4.320 0.001 0.000 0.216 41 A C 2.139 179.743 177.584 0.033 0.000 1.181 41 A CA 0.651 52.708 52.037 0.035 0.000 0.620 41 A CB -0.420 18.597 19.000 0.027 0.000 0.819 41 A HN 0.093 nan 8.150 nan 0.000 0.442 42 I N 0.167 120.753 120.570 0.026 0.000 2.286 42 I HA -0.243 3.928 4.170 0.001 0.000 0.248 42 I C 2.879 179.006 176.117 0.017 0.000 1.115 42 I CA 1.462 62.773 61.300 0.018 0.000 1.392 42 I CB -1.479 36.529 38.000 0.015 0.000 1.065 42 I HN 0.373 nan 8.210 nan 0.000 0.418 43 A N 0.730 123.564 122.820 0.024 0.000 1.930 43 A HA -0.234 4.086 4.320 0.001 0.000 0.217 43 A C 2.421 180.033 177.584 0.045 0.000 1.175 43 A CA 1.755 53.809 52.037 0.029 0.000 0.627 43 A CB -0.529 18.489 19.000 0.031 0.000 0.815 43 A HN 0.339 nan 8.150 nan 0.000 0.443 44 R N 0.025 120.560 120.500 0.058 0.000 2.096 44 R HA 0.007 4.347 4.340 0.001 0.000 0.235 44 R C 1.914 178.255 176.300 0.068 0.000 1.127 44 R CA 1.467 57.619 56.100 0.088 0.000 0.968 44 R CB -0.737 29.623 30.300 0.101 0.000 0.861 44 R HN 0.477 nan 8.270 nan 0.000 0.440 45 L N 0.607 121.854 121.223 0.040 0.000 2.017 45 L HA -0.203 4.138 4.340 0.001 0.000 0.208 45 L C 2.349 179.216 176.870 -0.006 0.000 1.073 45 L CA 2.094 56.943 54.840 0.015 0.000 0.745 45 L CB -0.470 41.593 42.059 0.007 0.000 0.894 45 L HN 0.379 nan 8.230 nan 0.000 0.432 46 K N 0.062 120.459 120.400 -0.005 0.000 2.032 46 K HA -0.288 4.033 4.320 0.001 0.000 0.209 46 K C 1.981 178.588 176.600 0.011 0.000 1.048 46 K CA 1.959 58.237 56.287 -0.015 0.000 0.927 46 K CB -0.156 32.336 32.500 -0.015 0.000 0.712 46 K HN 0.365 nan 8.250 nan 0.000 0.441 47 E N 0.157 120.375 120.200 0.030 0.000 2.077 47 E HA -0.164 4.186 4.350 0.001 0.000 0.193 47 E C 1.873 178.419 176.600 -0.091 0.000 0.989 47 E CA 1.288 57.716 56.400 0.047 0.000 0.800 47 E CB 0.125 29.901 29.700 0.128 0.000 0.746 47 E HN 0.170 nan 8.360 nan 0.000 0.452 48 V N 1.216 121.029 119.914 -0.168 0.000 2.407 48 V HA -0.259 3.862 4.120 0.001 0.000 0.248 48 V C 2.420 178.377 176.094 -0.227 0.000 1.055 48 V CA 1.397 63.445 62.300 -0.420 0.000 1.049 48 V CB -0.380 31.303 31.823 -0.234 0.000 0.662 48 V HN 0.317 nan 8.190 nan 0.000 0.455 49 L N -0.365 120.833 121.223 -0.042 0.000 2.027 49 L HA -0.142 4.198 4.340 0.001 0.000 0.206 49 L C 2.690 179.697 176.870 0.229 0.000 1.074 49 L CA 1.599 56.505 54.840 0.111 0.000 0.745 49 L CB -0.629 41.488 42.059 0.095 0.000 0.898 49 L HN 0.375 nan 8.230 nan 0.000 0.433 50 E N -0.814 119.500 120.200 0.190 0.000 2.110 50 E HA -0.263 4.087 4.350 0.001 0.000 0.193 50 E C 2.013 178.666 176.600 0.088 0.000 0.988 50 E CA 1.416 57.934 56.400 0.196 0.000 0.804 50 E CB -0.224 29.576 29.700 0.167 0.000 0.745 50 E HN 0.499 nan 8.360 nan 0.000 0.458 51 Y N 1.566 121.814 120.300 -0.086 0.000 2.286 51 Y HA -0.021 4.529 4.550 0.001 0.000 0.293 51 Y C 1.709 177.561 175.900 -0.080 0.000 1.124 51 Y CA 1.199 59.243 58.100 -0.094 0.000 1.178 51 Y CB 0.337 38.665 38.460 -0.219 0.000 1.010 51 Y HN -0.042 nan 8.280 nan 0.000 0.536 52 N N -1.135 117.596 118.700 0.053 0.000 2.250 52 N HA 0.161 4.901 4.740 0.001 0.000 0.190 52 N C 1.147 176.717 175.510 0.101 0.000 1.116 52 N CA 0.810 53.902 53.050 0.071 0.000 0.881 52 N CB 0.534 39.020 38.487 -0.002 0.000 1.006 52 N HN 0.298 nan 8.380 nan 0.000 0.491 53 A N 0.176 123.065 122.820 0.114 0.000 2.303 53 A HA 0.294 4.615 4.320 0.001 0.000 0.217 53 A C 0.508 178.181 177.584 0.149 0.000 1.205 53 A CA 0.224 52.387 52.037 0.210 0.000 0.875 53 A CB 0.512 19.725 19.000 0.355 0.000 0.910 53 A HN -0.023 nan 8.150 nan 0.000 0.501 54 I N -1.057 119.504 120.570 -0.014 0.000 2.530 54 I HA 0.575 4.746 4.170 0.001 0.000 0.297 54 I C 1.143 177.251 176.117 -0.014 0.000 1.011 54 I CA 0.660 61.964 61.300 0.007 0.000 1.107 54 I CB 1.083 38.980 38.000 -0.172 0.000 1.285 54 I HN 0.373 nan 8.210 nan 0.000 0.436 55 G N 3.858 112.660 108.800 0.003 0.000 2.229 55 G HA2 -0.120 3.841 3.960 0.001 0.000 0.189 55 G HA3 -0.120 3.841 3.960 0.001 0.000 0.189 55 G C 0.408 175.185 174.900 -0.205 0.000 1.000 55 G CA -0.168 44.882 45.100 -0.083 0.000 0.663 55 G HN 0.981 nan 8.290 nan 0.000 0.493 56 G N -0.373 108.164 108.800 -0.439 0.000 2.583 56 G HA2 0.565 4.526 3.960 0.001 0.000 0.280 56 G HA3 0.565 4.526 3.960 0.001 0.000 0.280 56 G C 0.772 175.245 174.900 -0.711 0.000 1.376 56 G CA 0.232 45.058 45.100 -0.456 0.000 1.043 56 G HN 0.232 nan 8.290 nan 0.000 0.538 57 K N -1.376 118.768 120.400 -0.426 0.000 2.365 57 K HA 0.102 4.422 4.320 0.001 0.000 0.197 57 K C -0.167 176.344 176.600 -0.147 0.000 1.042 57 K CA 0.200 56.350 56.287 -0.228 0.000 0.987 57 K CB -0.005 32.457 32.500 -0.064 0.000 0.779 57 K HN 0.520 nan 8.250 nan 0.000 0.484 58 Y N -0.346 119.922 120.300 -0.052 0.000 4.409 58 Y HA -0.304 4.246 4.550 0.001 0.000 0.228 58 Y C 0.849 176.611 175.900 -0.231 0.000 1.108 58 Y CA 0.030 58.029 58.100 -0.170 0.000 1.955 58 Y CB -2.677 35.676 38.460 -0.178 0.000 1.615 58 Y HN 0.190 nan 8.280 nan 0.000 0.665 59 N N 0.589 119.252 118.700 -0.061 0.000 2.205 59 N HA -0.121 4.620 4.740 0.001 0.000 0.186 59 N C 1.799 177.225 175.510 -0.140 0.000 1.015 59 N CA 1.766 54.772 53.050 -0.074 0.000 0.862 59 N CB -0.192 38.195 38.487 -0.167 0.000 0.986 59 N HN 0.622 nan 8.380 nan 0.000 0.429 60 R N -0.097 120.268 120.500 -0.224 0.000 2.062 60 R HA 0.053 4.393 4.340 0.001 0.000 0.229 60 R C 2.383 178.548 176.300 -0.225 0.000 1.128 60 R CA 1.194 57.141 56.100 -0.255 0.000 0.960 60 R CB -0.550 29.616 30.300 -0.223 0.000 0.855 60 R HN 0.205 nan 8.270 nan 0.000 0.432 61 G N 1.159 109.785 108.800 -0.291 0.000 2.404 61 G HA2 -0.215 3.745 3.960 0.001 0.000 0.215 61 G HA3 -0.215 3.745 3.960 0.001 0.000 0.215 61 G C 1.443 175.912 174.900 -0.719 0.000 1.174 61 G CA 0.367 45.187 45.100 -0.467 0.000 0.780 61 G HN 0.098 nan 8.290 nan 0.000 0.537 62 L N 0.545 121.269 121.223 -0.831 0.000 2.127 62 L HA -0.123 4.217 4.340 0.001 0.000 0.211 62 L C 3.159 179.766 176.870 -0.438 0.000 1.089 62 L CA 1.460 55.910 54.840 -0.649 0.000 0.757 62 L CB -0.638 41.204 42.059 -0.362 0.000 0.899 62 L HN 0.196 nan 8.230 nan 0.000 0.434 63 T N -0.653 113.763 114.554 -0.229 0.000 2.746 63 T HA -0.162 4.188 4.350 0.001 0.000 0.267 63 T C 1.999 176.588 174.700 -0.184 0.000 1.039 63 T CA 1.351 63.355 62.100 -0.160 0.000 1.142 63 T CB -0.151 68.676 68.868 -0.069 0.000 0.866 63 T HN 0.077 nan 8.240 nan 0.000 0.444 64 V N 1.086 120.904 119.914 -0.160 0.000 2.287 64 V HA -0.165 3.955 4.120 0.001 0.000 0.248 64 V C 2.605 178.667 176.094 -0.053 0.000 1.053 64 V CA 1.461 63.708 62.300 -0.089 0.000 1.027 64 V CB -0.705 31.094 31.823 -0.041 0.000 0.646 64 V HN 0.314 nan 8.190 nan 0.000 0.447 65 V N -0.501 119.360 119.914 -0.089 0.000 2.270 65 V HA -0.207 3.913 4.120 0.001 0.000 0.245 65 V C 2.410 178.493 176.094 -0.019 0.000 1.043 65 V CA 1.926 64.222 62.300 -0.007 0.000 1.014 65 V CB -0.354 31.476 31.823 0.011 0.000 0.645 65 V HN 0.387 nan 8.190 nan 0.000 0.447 66 V N 0.453 120.251 119.914 -0.194 0.000 2.255 66 V HA -0.308 3.813 4.120 0.001 0.000 0.247 66 V C 2.716 178.722 176.094 -0.146 0.000 1.051 66 V CA 2.283 64.438 62.300 -0.241 0.000 1.018 66 V CB -1.237 30.264 31.823 -0.536 0.000 0.641 66 V HN 0.571 nan 8.190 nan 0.000 0.445 67 A N -0.807 121.927 122.820 -0.144 0.000 1.933 67 A HA -0.226 4.094 4.320 0.001 0.000 0.218 67 A C 2.101 179.644 177.584 -0.068 0.000 1.175 67 A CA 1.950 53.906 52.037 -0.134 0.000 0.628 67 A CB -0.689 18.214 19.000 -0.161 0.000 0.814 67 A HN 0.545 nan 8.150 nan 0.000 0.444 68 F N 0.706 120.574 119.950 -0.136 0.000 2.102 68 F HA -0.148 4.380 4.527 0.001 0.000 0.298 68 F C 2.399 178.151 175.800 -0.081 0.000 1.105 68 F CA 1.849 59.786 58.000 -0.104 0.000 1.239 68 F CB -0.206 38.745 39.000 -0.082 0.000 0.991 68 F HN 0.093 nan 8.300 nan 0.000 0.474 69 R N 0.252 120.749 120.500 -0.006 0.000 2.120 69 R HA -0.144 4.197 4.340 0.001 0.000 0.234 69 R C 1.863 178.072 176.300 -0.153 0.000 1.123 69 R CA 1.719 57.767 56.100 -0.086 0.000 0.975 69 R CB -0.481 29.829 30.300 0.017 0.000 0.866 69 R HN 0.478 nan 8.270 nan 0.000 0.446 70 E N -0.030 120.084 120.200 -0.143 0.000 2.442 70 E HA 0.001 4.351 4.350 0.001 0.000 0.195 70 E C 1.527 178.032 176.600 -0.158 0.000 1.030 70 E CA 0.401 56.721 56.400 -0.133 0.000 0.869 70 E CB 0.334 29.961 29.700 -0.120 0.000 0.857 70 E HN 0.280 nan 8.360 nan 0.000 0.505 71 L N -0.025 121.069 121.223 -0.215 0.000 2.537 71 L HA 0.158 4.498 4.340 0.001 0.000 0.224 71 L C 0.316 177.033 176.870 -0.255 0.000 1.065 71 L CA -0.017 54.697 54.840 -0.210 0.000 0.860 71 L CB 0.923 42.863 42.059 -0.200 0.000 1.086 71 L HN -0.123 nan 8.230 nan 0.000 0.482 72 V N 0.938 120.609 119.914 -0.405 0.000 2.407 72 V HA 0.117 4.238 4.120 0.001 0.000 0.278 72 V C 0.313 176.245 176.094 -0.269 0.000 1.037 72 V CA -0.758 61.290 62.300 -0.421 0.000 0.900 72 V CB 1.497 32.821 31.823 -0.832 0.000 0.983 72 V HN 0.152 nan 8.190 nan 0.000 0.459 73 E N 6.665 126.766 120.200 -0.165 0.000 2.415 73 E HA 0.031 4.381 4.350 0.001 0.000 0.263 73 E C -1.629 174.920 176.600 -0.085 0.000 0.995 73 E CA -1.288 55.051 56.400 -0.101 0.000 0.915 73 E CB 1.183 30.845 29.700 -0.063 0.000 0.951 73 E HN 0.415 nan 8.360 nan 0.000 0.449 74 P HA -0.201 nan 4.420 nan 0.000 0.220 74 P C 0.809 178.102 177.300 -0.011 0.000 1.144 74 P CA 1.310 64.389 63.100 -0.034 0.000 0.800 74 P CB -0.024 31.663 31.700 -0.022 0.000 0.772 75 R N 0.113 120.605 120.500 -0.013 0.000 2.236 75 R HA 0.048 4.388 4.340 0.001 0.000 0.208 75 R C 1.293 177.599 176.300 0.010 0.000 1.036 75 R CA 1.049 57.150 56.100 0.002 0.000 1.001 75 R CB -0.408 29.892 30.300 -0.001 0.000 0.896 75 R HN 0.115 nan 8.270 nan 0.000 0.464 76 K N 0.567 120.967 120.400 -0.000 0.000 2.373 76 K HA 0.116 4.436 4.320 0.001 0.000 0.202 76 K C 0.043 176.674 176.600 0.051 0.000 1.025 76 K CA -0.042 56.256 56.287 0.019 0.000 1.115 76 K CB 0.924 33.424 32.500 0.001 0.000 0.858 76 K HN 0.236 nan 8.250 nan 0.000 0.525 77 Q N 2.669 122.498 119.800 0.047 0.000 3.041 77 Q HA 0.010 4.350 4.340 0.001 0.000 0.372 77 Q C -0.420 175.655 176.000 0.125 0.000 1.241 77 Q CA -0.267 55.608 55.803 0.120 0.000 1.010 77 Q CB 0.174 28.966 28.738 0.089 0.000 1.467 77 Q HN 0.321 nan 8.270 nan 0.000 0.462 78 D N -0.721 119.746 120.400 0.111 0.000 2.372 78 D HA -0.021 4.620 4.640 0.001 0.000 0.243 78 D C 0.819 177.177 176.300 0.096 0.000 1.297 78 D CA 0.083 54.136 54.000 0.089 0.000 0.958 78 D CB 0.852 41.694 40.800 0.070 0.000 1.114 78 D HN 0.163 nan 8.370 nan 0.000 0.496 79 A N 0.189 123.057 122.820 0.080 0.000 1.898 79 A HA -0.196 4.124 4.320 0.001 0.000 0.216 79 A C 1.746 179.363 177.584 0.054 0.000 1.181 79 A CA 1.685 53.774 52.037 0.086 0.000 0.620 79 A CB -0.498 18.553 19.000 0.084 0.000 0.819 79 A HN 0.563 nan 8.150 nan 0.000 0.442 80 D N -0.645 119.777 120.400 0.036 0.000 2.117 80 D HA -0.095 4.545 4.640 0.001 0.000 0.197 80 D C 2.238 178.515 176.300 -0.039 0.000 0.987 80 D CA 1.506 55.507 54.000 0.001 0.000 0.829 80 D CB -0.379 40.429 40.800 0.013 0.000 0.961 80 D HN 0.369 nan 8.370 nan 0.000 0.460 81 S N -0.391 115.323 115.700 0.024 0.000 2.368 81 S HA -0.115 4.355 4.470 0.001 0.000 0.225 81 S C 1.888 176.416 174.600 -0.120 0.000 1.030 81 S CA 0.621 58.855 58.200 0.057 0.000 0.999 81 S CB -0.147 63.191 63.200 0.231 0.000 0.844 81 S HN 0.034 nan 8.310 nan 0.000 0.459 82 L N 1.750 122.951 121.223 -0.037 0.000 2.093 82 L HA 0.004 4.344 4.340 0.001 0.000 0.208 82 L C 2.607 179.212 176.870 -0.442 0.000 1.085 82 L CA 1.786 56.563 54.840 -0.104 0.000 0.755 82 L CB -1.017 41.120 42.059 0.130 0.000 0.904 82 L HN 0.435 nan 8.230 nan 0.000 0.435 83 Q N -0.396 119.113 119.800 -0.484 0.000 2.061 83 Q HA -0.229 4.111 4.340 0.001 0.000 0.204 83 Q C 2.367 177.505 176.000 -1.436 0.000 0.984 83 Q CA 1.677 56.808 55.803 -1.120 0.000 0.846 83 Q CB 0.003 28.456 28.738 -0.475 0.000 0.902 83 Q HN 0.386 nan 8.270 nan 0.000 0.421 84 R N -0.214 119.837 120.500 -0.748 0.000 2.081 84 R HA -0.129 4.211 4.340 0.001 0.000 0.235 84 R C 2.359 178.284 176.300 -0.626 0.000 1.131 84 R CA 1.107 56.864 56.100 -0.572 0.000 0.960 84 R CB -0.419 29.747 30.300 -0.222 0.000 0.856 84 R HN 0.341 nan 8.270 nan 0.000 0.436 85 A N 1.767 124.135 122.820 -0.754 0.000 1.877 85 A HA -0.168 4.152 4.320 0.001 0.000 0.216 85 A C 1.982 179.394 177.584 -0.287 0.000 1.186 85 A CA 1.376 52.999 52.037 -0.691 0.000 0.620 85 A CB -0.958 17.378 19.000 -1.106 0.000 0.822 85 A HN 0.715 nan 8.150 nan 0.000 0.443 86 W N -1.024 120.156 121.300 -0.200 0.000 2.678 86 W HA 0.022 4.683 4.660 0.001 0.000 0.256 86 W C 1.248 177.785 176.519 0.030 0.000 1.280 86 W CA 1.010 58.352 57.345 -0.005 0.000 1.345 86 W CB -1.198 28.242 29.460 -0.033 0.000 1.118 86 W HN 0.199 nan 8.180 nan 0.000 0.629 87 T N 2.415 116.805 114.554 -0.274 0.000 2.737 87 T HA -0.167 4.183 4.350 0.001 0.000 0.265 87 T C 2.111 176.798 174.700 -0.021 0.000 1.038 87 T CA 2.068 64.010 62.100 -0.263 0.000 1.144 87 T CB -0.521 67.767 68.868 -0.967 0.000 0.866 87 T HN -0.011 nan 8.240 nan 0.000 0.434 88 V N 1.386 121.258 119.914 -0.071 0.000 2.427 88 V HA -0.068 4.053 4.120 0.001 0.000 0.248 88 V C 2.847 179.054 176.094 0.188 0.000 1.051 88 V CA 1.806 64.139 62.300 0.055 0.000 1.048 88 V CB -1.352 30.504 31.823 0.056 0.000 0.666 88 V HN 0.590 nan 8.190 nan 0.000 0.456 89 G N -1.197 107.710 108.800 0.178 0.000 2.469 89 G HA2 -0.296 3.664 3.960 0.001 0.000 0.219 89 G HA3 -0.296 3.664 3.960 0.001 0.000 0.219 89 G C 1.370 176.432 174.900 0.271 0.000 1.150 89 G CA 0.790 46.015 45.100 0.209 0.000 0.763 89 G HN 0.592 nan 8.290 nan 0.000 0.561 90 W N 0.034 121.586 121.300 0.420 0.000 2.402 90 W HA -0.012 4.648 4.660 0.000 0.000 0.286 90 W C 2.802 179.463 176.519 0.237 0.000 1.221 90 W CA 0.447 57.995 57.345 0.339 0.000 1.257 90 W CB -0.374 29.196 29.460 0.183 0.000 1.120 90 W HN 0.184 nan 8.180 nan 0.000 0.551 91 C N -0.836 118.656 119.300 0.319 0.000 2.413 91 C HA -0.210 4.250 4.460 0.001 0.000 0.276 91 C C 2.614 177.820 174.990 0.360 0.000 1.248 91 C CA 1.155 60.256 59.018 0.139 0.000 1.742 91 C CB -1.341 26.252 27.740 -0.244 0.000 2.017 91 C HN 0.158 nan 8.230 nan 0.000 0.481 92 V N 0.517 120.713 119.914 0.469 0.000 2.490 92 V HA -0.178 3.943 4.120 0.001 0.000 0.250 92 V C 2.452 178.748 176.094 0.337 0.000 1.061 92 V CA 2.136 64.694 62.300 0.431 0.000 1.064 92 V CB -0.688 31.266 31.823 0.218 0.000 0.670 92 V HN 0.467 nan 8.190 nan 0.000 0.461 93 E N 0.291 120.668 120.200 0.295 0.000 2.150 93 E HA -0.107 4.243 4.350 0.001 0.000 0.193 93 E C 2.023 178.846 176.600 0.372 0.000 0.985 93 E CA 1.081 57.658 56.400 0.294 0.000 0.814 93 E CB -0.263 29.577 29.700 0.233 0.000 0.752 93 E HN 0.557 nan 8.360 nan 0.000 0.466 94 L N -0.371 121.083 121.223 0.385 0.000 2.156 94 L HA -0.087 4.253 4.340 0.001 0.000 0.208 94 L C 2.235 179.270 176.870 0.274 0.000 1.095 94 L CA 0.326 55.352 54.840 0.309 0.000 0.770 94 L CB -0.360 41.834 42.059 0.225 0.000 0.914 94 L HN 0.222 nan 8.230 nan 0.000 0.439 95 L N 0.326 121.738 121.223 0.315 0.000 2.017 95 L HA -0.250 4.091 4.340 0.001 0.000 0.208 95 L C 2.619 179.720 176.870 0.384 0.000 1.073 95 L CA 1.841 56.893 54.840 0.354 0.000 0.745 95 L CB -0.596 41.753 42.059 0.484 0.000 0.894 95 L HN 0.236 nan 8.230 nan 0.000 0.432 96 Q N -0.149 119.906 119.800 0.424 0.000 2.062 96 Q HA -0.245 4.096 4.340 0.001 0.000 0.209 96 Q C 2.140 178.323 176.000 0.305 0.000 0.996 96 Q CA 2.731 58.791 55.803 0.427 0.000 0.859 96 Q CB -0.671 28.296 28.738 0.381 0.000 0.920 96 Q HN 0.571 nan 8.270 nan 0.000 0.415 97 A N -0.240 122.744 122.820 0.273 0.000 1.908 97 A HA -0.150 4.170 4.320 0.001 0.000 0.218 97 A C 2.019 179.719 177.584 0.194 0.000 1.181 97 A CA 1.522 53.691 52.037 0.220 0.000 0.627 97 A CB -1.129 18.004 19.000 0.221 0.000 0.818 97 A HN 0.640 nan 8.150 nan 0.000 0.445 98 F N 0.001 119.956 119.950 0.009 0.000 2.069 98 F HA -0.163 4.364 4.527 0.001 0.000 0.298 98 F C 1.820 177.540 175.800 -0.134 0.000 1.113 98 F CA 1.653 59.582 58.000 -0.118 0.000 1.214 98 F CB -0.753 38.085 39.000 -0.269 0.000 0.978 98 F HN 0.180 nan 8.300 nan 0.000 0.474 99 F N 0.597 120.336 119.950 -0.353 0.000 2.186 99 F HA -0.121 4.407 4.527 0.001 0.000 0.299 99 F C 2.336 178.010 175.800 -0.209 0.000 1.090 99 F CA 1.174 58.886 58.000 -0.480 0.000 1.307 99 F CB -0.978 37.775 39.000 -0.412 0.000 1.019 99 F HN 0.014 nan 8.300 nan 0.000 0.489 100 L N -1.079 120.215 121.223 0.118 0.000 2.056 100 L HA -0.174 4.167 4.340 0.001 0.000 0.207 100 L C 2.390 179.330 176.870 0.117 0.000 1.078 100 L CA 0.712 55.633 54.840 0.135 0.000 0.749 100 L CB -0.834 41.327 42.059 0.171 0.000 0.901 100 L HN -0.033 nan 8.230 nan 0.000 0.433 101 V N 0.370 120.353 119.914 0.115 0.000 2.287 101 V HA -0.317 3.803 4.120 0.001 0.000 0.248 101 V C 2.776 178.920 176.094 0.084 0.000 1.053 101 V CA 1.973 64.371 62.300 0.164 0.000 1.027 101 V CB -0.837 31.101 31.823 0.191 0.000 0.646 101 V HN 0.489 nan 8.190 nan 0.000 0.447 102 A N -0.158 122.651 122.820 -0.019 0.000 1.898 102 A HA -0.292 4.029 4.320 0.001 0.000 0.216 102 A C 2.039 179.587 177.584 -0.060 0.000 1.181 102 A CA 2.138 54.134 52.037 -0.068 0.000 0.620 102 A CB -0.701 18.206 19.000 -0.156 0.000 0.819 102 A HN 0.640 nan 8.150 nan 0.000 0.442 103 D N -0.494 119.895 120.400 -0.018 0.000 2.144 103 D HA -0.153 4.488 4.640 0.001 0.000 0.200 103 D C 1.249 177.549 176.300 -0.001 0.000 0.978 103 D CA 1.406 55.408 54.000 0.004 0.000 0.833 103 D CB -0.064 40.764 40.800 0.047 0.000 0.961 103 D HN 0.335 nan 8.370 nan 0.000 0.470 104 D N -0.261 120.160 120.400 0.035 0.000 2.144 104 D HA -0.098 4.542 4.640 0.001 0.000 0.200 104 D C 2.168 178.394 176.300 -0.123 0.000 0.978 104 D CA 0.570 54.622 54.000 0.086 0.000 0.833 104 D CB -0.105 40.849 40.800 0.256 0.000 0.961 104 D HN 0.402 nan 8.370 nan 0.000 0.470 105 I N 0.329 120.650 120.570 -0.416 0.000 2.202 105 I HA -0.231 3.940 4.170 0.001 0.000 0.242 105 I C 2.414 178.314 176.117 -0.361 0.000 1.091 105 I CA 0.909 61.717 61.300 -0.820 0.000 1.368 105 I CB -0.162 37.486 38.000 -0.588 0.000 1.058 105 I HN -0.064 nan 8.210 nan 0.000 0.410 106 M N -0.180 119.310 119.600 -0.183 0.000 2.394 106 M HA -0.128 4.352 4.480 0.001 0.000 0.264 106 M C 0.830 177.098 176.300 -0.052 0.000 1.073 106 M CA 1.236 56.479 55.300 -0.095 0.000 1.111 106 M CB -0.253 32.314 32.600 -0.055 0.000 1.401 106 M HN 0.127 nan 8.290 nan 0.000 0.448 107 D N 0.024 120.402 120.400 -0.037 0.000 2.339 107 D HA 0.079 4.720 4.640 0.001 0.000 0.217 107 D C 0.144 176.457 176.300 0.021 0.000 1.050 107 D CA 0.297 54.297 54.000 0.000 0.000 0.856 107 D CB 0.143 40.955 40.800 0.019 0.000 0.922 107 D HN 0.074 nan 8.370 nan 0.000 0.518 108 S N -0.005 115.708 115.700 0.022 0.000 3.628 108 S HA -0.166 4.304 4.470 0.001 0.000 0.373 108 S C 0.370 175.071 174.600 0.168 0.000 0.968 108 S CA 0.179 58.450 58.200 0.118 0.000 1.215 108 S CB -1.576 61.667 63.200 0.072 0.000 0.912 108 S HN 0.155 nan 8.310 nan 0.000 0.495 109 S N -0.050 115.782 115.700 0.220 0.000 2.652 109 S HA 0.572 5.043 4.470 0.001 0.000 0.270 109 S C 1.485 176.191 174.600 0.176 0.000 1.243 109 S CA -0.756 57.547 58.200 0.171 0.000 0.999 109 S CB 1.031 64.325 63.200 0.156 0.000 0.973 109 S HN 0.428 nan 8.310 nan 0.000 0.544 110 L N 0.568 121.841 121.223 0.083 0.000 2.349 110 L HA 0.186 4.526 4.340 0.001 0.000 0.200 110 L C 1.021 177.908 176.870 0.028 0.000 1.064 110 L CA 0.398 55.252 54.840 0.022 0.000 0.821 110 L CB -0.070 41.991 42.059 0.004 0.000 1.027 110 L HN 0.709 nan 8.230 nan 0.000 0.476 111 T N -1.624 112.961 114.554 0.051 0.000 2.916 111 T HA 0.696 5.046 4.350 0.001 0.000 0.292 111 T C -0.731 174.019 174.700 0.084 0.000 1.055 111 T CA -0.754 61.383 62.100 0.063 0.000 1.009 111 T CB 2.896 71.786 68.868 0.037 0.000 1.118 111 T HN 0.027 nan 8.240 nan 0.000 0.497 112 R N 0.283 120.839 120.500 0.093 0.000 2.515 112 R HA 0.569 4.909 4.340 0.001 0.000 0.278 112 R C -0.443 175.889 176.300 0.052 0.000 1.107 112 R CA -0.480 55.675 56.100 0.091 0.000 0.945 112 R CB 0.667 31.055 30.300 0.147 0.000 1.219 112 R HN 0.816 nan 8.270 nan 0.000 0.434 113 R N 3.227 123.742 120.500 0.025 0.000 3.627 113 R HA -0.203 4.137 4.340 0.001 0.000 0.281 113 R C 0.568 176.857 176.300 -0.020 0.000 1.140 113 R CA 1.257 57.350 56.100 -0.011 0.000 0.761 113 R CB -1.720 28.559 30.300 -0.035 0.000 1.181 113 R HN 1.293 nan 8.270 nan 0.000 0.472 114 G N -0.501 108.298 108.800 -0.001 0.000 2.143 114 G HA2 -0.370 3.590 3.960 0.001 0.000 0.248 114 G HA3 -0.370 3.590 3.960 0.001 0.000 0.248 114 G C -0.100 174.799 174.900 -0.000 0.000 0.991 114 G CA 0.843 45.941 45.100 -0.002 0.000 0.689 114 G HN 0.682 nan 8.290 nan 0.000 0.522 115 Q N -0.995 118.811 119.800 0.011 0.000 2.553 115 Q HA 0.761 5.102 4.340 0.001 0.000 0.293 115 Q C 0.012 176.076 176.000 0.107 0.000 1.038 115 Q CA -1.455 54.372 55.803 0.039 0.000 0.777 115 Q CB 1.462 30.182 28.738 -0.029 0.000 1.487 115 Q HN 0.252 nan 8.270 nan 0.000 0.426 116 I N 1.271 121.932 120.570 0.151 0.000 2.710 116 I HA -0.012 4.159 4.170 0.001 0.000 0.286 116 I C 0.209 176.469 176.117 0.238 0.000 1.181 116 I CA -0.507 60.874 61.300 0.135 0.000 1.430 116 I CB 0.338 38.385 38.000 0.079 0.000 1.367 116 I HN 0.674 nan 8.210 nan 0.000 0.577 117 C N 6.160 125.547 119.300 0.144 0.000 2.597 117 C HA -0.130 4.330 4.460 0.001 0.000 0.412 117 C C 1.828 176.961 174.990 0.237 0.000 1.348 117 C CA -0.281 58.879 59.018 0.237 0.000 1.769 117 C CB -0.196 27.663 27.740 0.199 0.000 2.641 117 C HN 0.979 nan 8.230 nan 0.000 0.612 118 W N 2.556 123.964 121.300 0.180 0.000 2.304 118 W HA -0.248 4.413 4.660 0.000 0.000 0.315 118 W C 2.058 178.564 176.519 -0.022 0.000 1.233 118 W CA 2.261 59.588 57.345 -0.031 0.000 1.261 118 W CB -0.450 29.046 29.460 0.060 0.000 1.150 118 W HN 1.002 nan 8.180 nan 0.000 0.494 119 Y N 0.793 121.066 120.300 -0.045 0.000 2.497 119 Y HA -0.060 4.490 4.550 0.001 0.000 0.292 119 Y C 2.078 177.880 175.900 -0.163 0.000 1.137 119 Y CA 1.328 59.329 58.100 -0.166 0.000 1.285 119 Y CB -1.186 37.262 38.460 -0.021 0.000 0.991 119 Y HN -0.036 nan 8.280 nan 0.000 0.556 120 Q N 1.178 120.530 119.800 -0.747 0.000 2.392 120 Q HA 0.083 4.424 4.340 0.001 0.000 0.203 120 Q C -0.065 175.725 176.000 -0.350 0.000 0.917 120 Q CA 0.267 55.691 55.803 -0.632 0.000 0.939 120 Q CB 0.211 28.586 28.738 -0.604 0.000 1.063 120 Q HN 0.518 nan 8.270 nan 0.000 0.516 121 K N 2.560 122.741 120.400 -0.364 0.000 2.412 121 K HA 0.146 4.466 4.320 0.001 0.000 0.284 121 K C -2.408 174.005 176.600 -0.311 0.000 1.046 121 K CA -1.458 54.629 56.287 -0.333 0.000 0.999 121 K CB 0.177 32.369 32.500 -0.514 0.000 0.941 121 K HN -0.078 nan 8.250 nan 0.000 0.474 122 P HA -0.127 nan 4.420 nan 0.000 0.261 122 P C 0.703 177.888 177.300 -0.191 0.000 1.173 122 P CA 0.960 63.962 63.100 -0.163 0.000 0.760 122 P CB 0.470 32.106 31.700 -0.107 0.000 0.783 123 G N 0.943 109.639 108.800 -0.173 0.000 2.232 123 G HA2 -0.252 3.708 3.960 0.001 0.000 0.226 123 G HA3 -0.252 3.708 3.960 0.001 0.000 0.226 123 G C 0.669 175.435 174.900 -0.223 0.000 0.996 123 G CA 0.213 45.213 45.100 -0.167 0.000 0.626 123 G HN 0.412 nan 8.290 nan 0.000 0.509 124 V N 0.507 120.221 119.914 -0.332 0.000 2.784 124 V HA 0.594 4.715 4.120 0.001 0.000 0.231 124 V C 2.594 178.546 176.094 -0.237 0.000 1.128 124 V CA 2.039 64.084 62.300 -0.425 0.000 1.178 124 V CB -0.736 30.525 31.823 -0.936 0.000 0.943 124 V HN 1.971 nan 8.190 nan 0.000 0.500 125 G N 0.968 109.652 108.800 -0.194 0.000 2.614 125 G HA2 -0.302 3.658 3.960 0.001 0.000 0.303 125 G HA3 -0.302 3.658 3.960 0.001 0.000 0.303 125 G C 0.459 175.374 174.900 0.025 0.000 1.270 125 G CA 0.543 45.621 45.100 -0.035 0.000 0.988 125 G HN 0.282 nan 8.290 nan 0.000 0.551 126 L N 1.913 123.155 121.223 0.031 0.000 2.552 126 L HA 0.155 4.495 4.340 0.001 0.000 0.227 126 L C 2.314 179.208 176.870 0.041 0.000 1.146 126 L CA 1.719 56.581 54.840 0.037 0.000 0.858 126 L CB -0.959 41.115 42.059 0.025 0.000 0.969 126 L HN 0.493 nan 8.230 nan 0.000 0.451 127 D N 0.042 120.457 120.400 0.026 0.000 2.265 127 D HA -0.139 4.501 4.640 0.001 0.000 0.208 127 D C 2.225 178.597 176.300 0.120 0.000 0.977 127 D CA 1.156 55.188 54.000 0.053 0.000 0.871 127 D CB 0.109 40.926 40.800 0.030 0.000 0.925 127 D HN 0.288 nan 8.370 nan 0.000 0.485 128 A N 0.449 123.348 122.820 0.131 0.000 2.076 128 A HA -0.168 4.152 4.320 0.001 0.000 0.220 128 A C 2.245 179.968 177.584 0.232 0.000 1.160 128 A CA 0.713 52.923 52.037 0.287 0.000 0.653 128 A CB -0.660 18.520 19.000 0.301 0.000 0.801 128 A HN 0.245 nan 8.150 nan 0.000 0.455 129 I N -0.380 120.274 120.570 0.140 0.000 2.163 129 I HA -0.290 3.880 4.170 0.001 0.000 0.243 129 I C 2.448 178.648 176.117 0.139 0.000 1.085 129 I CA 1.866 63.236 61.300 0.115 0.000 1.347 129 I CB -0.393 37.651 38.000 0.073 0.000 1.044 129 I HN 0.458 nan 8.210 nan 0.000 0.408 130 N N 0.775 119.552 118.700 0.128 0.000 2.171 130 N HA -0.191 4.549 4.740 0.001 0.000 0.184 130 N C 1.483 177.077 175.510 0.140 0.000 1.021 130 N CA 1.372 54.492 53.050 0.117 0.000 0.854 130 N CB -0.045 38.498 38.487 0.093 0.000 0.994 130 N HN 0.167 nan 8.380 nan 0.000 0.426 131 D N 0.228 120.741 120.400 0.188 0.000 2.116 131 D HA -0.186 4.454 4.640 0.001 0.000 0.193 131 D C 1.776 178.178 176.300 0.170 0.000 0.998 131 D CA 1.480 55.600 54.000 0.200 0.000 0.836 131 D CB -0.615 40.397 40.800 0.355 0.000 0.951 131 D HN 0.444 nan 8.370 nan 0.000 0.449 132 A N 1.318 124.270 122.820 0.220 0.000 1.877 132 A HA -0.216 4.104 4.320 0.001 0.000 0.216 132 A C 1.996 179.778 177.584 0.330 0.000 1.186 132 A CA 1.548 53.767 52.037 0.302 0.000 0.620 132 A CB -0.534 18.629 19.000 0.272 0.000 0.822 132 A HN 0.133 nan 8.150 nan 0.000 0.443 133 N N 0.065 118.899 118.700 0.223 0.000 2.205 133 N HA -0.100 4.641 4.740 0.001 0.000 0.186 133 N C 1.617 177.109 175.510 -0.030 0.000 1.015 133 N CA 1.126 54.223 53.050 0.078 0.000 0.862 133 N CB -0.478 38.059 38.487 0.084 0.000 0.986 133 N HN 0.522 nan 8.380 nan 0.000 0.429 134 L N 0.486 121.726 121.223 0.029 0.000 2.056 134 L HA -0.080 4.260 4.340 0.001 0.000 0.207 134 L C 2.162 179.024 176.870 -0.014 0.000 1.078 134 L CA 0.672 55.517 54.840 0.009 0.000 0.749 134 L CB -0.312 41.769 42.059 0.036 0.000 0.901 134 L HN 0.130 nan 8.230 nan 0.000 0.433 135 L N -0.355 120.875 121.223 0.011 0.000 2.042 135 L HA -0.267 4.073 4.340 0.001 0.000 0.210 135 L C 2.604 179.418 176.870 -0.094 0.000 1.076 135 L CA 1.480 56.329 54.840 0.015 0.000 0.749 135 L CB -0.470 41.657 42.059 0.112 0.000 0.893 135 L HN 0.361 nan 8.230 nan 0.000 0.432 136 E N 0.408 120.416 120.200 -0.320 0.000 2.031 136 E HA -0.260 4.090 4.350 0.001 0.000 0.193 136 E C 2.230 178.736 176.600 -0.157 0.000 0.994 136 E CA 1.230 57.315 56.400 -0.525 0.000 0.800 136 E CB -0.065 28.912 29.700 -1.206 0.000 0.752 136 E HN 0.433 nan 8.360 nan 0.000 0.447 137 A N 0.599 123.368 122.820 -0.085 0.000 1.986 137 A HA -0.227 4.094 4.320 0.001 0.000 0.220 137 A C 2.447 180.060 177.584 0.047 0.000 1.171 137 A CA 1.548 53.613 52.037 0.046 0.000 0.640 137 A CB -1.018 17.984 19.000 0.004 0.000 0.811 137 A HN 0.555 nan 8.150 nan 0.000 0.451 138 C N -0.863 118.423 119.300 -0.023 0.000 2.435 138 C HA -0.045 4.415 4.460 0.001 0.000 0.279 138 C C 2.503 177.434 174.990 -0.099 0.000 1.321 138 C CA 0.706 59.704 59.018 -0.033 0.000 1.752 138 C CB -1.392 26.337 27.740 -0.020 0.000 1.959 138 C HN 0.648 nan 8.230 nan 0.000 0.500 139 I N -0.110 120.324 120.570 -0.227 0.000 2.118 139 I HA -0.292 3.878 4.170 0.001 0.000 0.241 139 I C 2.137 177.919 176.117 -0.558 0.000 1.070 139 I CA 2.085 63.082 61.300 -0.505 0.000 1.327 139 I CB -0.466 37.004 38.000 -0.884 0.000 1.034 139 I HN 0.353 nan 8.210 nan 0.000 0.405 140 Y N 0.323 120.550 120.300 -0.123 0.000 2.420 140 Y HA 0.000 4.551 4.550 0.001 0.000 0.292 140 Y C 2.583 178.473 175.900 -0.017 0.000 1.119 140 Y CA 0.380 58.432 58.100 -0.079 0.000 1.229 140 Y CB -0.406 38.013 38.460 -0.069 0.000 1.026 140 Y HN 0.005 nan 8.280 nan 0.000 0.554 141 R N 0.307 120.852 120.500 0.076 0.000 2.070 141 R HA -0.148 4.192 4.340 0.001 0.000 0.233 141 R C 2.111 178.440 176.300 0.048 0.000 1.137 141 R CA 1.452 57.584 56.100 0.054 0.000 0.945 141 R CB -1.032 29.285 30.300 0.028 0.000 0.845 141 R HN 0.388 nan 8.270 nan 0.000 0.430 142 L N 0.867 122.105 121.223 0.026 0.000 2.046 142 L HA -0.158 4.183 4.340 0.001 0.000 0.208 142 L C 2.601 179.537 176.870 0.110 0.000 1.077 142 L CA 1.041 55.935 54.840 0.090 0.000 0.747 142 L CB -0.480 41.594 42.059 0.025 0.000 0.896 142 L HN 0.165 nan 8.230 nan 0.000 0.432 143 L N -0.130 121.109 121.223 0.026 0.000 2.042 143 L HA -0.268 4.072 4.340 0.001 0.000 0.210 143 L C 2.719 179.723 176.870 0.225 0.000 1.076 143 L CA 1.499 56.411 54.840 0.119 0.000 0.749 143 L CB -0.524 41.587 42.059 0.086 0.000 0.893 143 L HN 0.289 nan 8.230 nan 0.000 0.432 144 K N 0.059 120.580 120.400 0.201 0.000 2.057 144 K HA -0.194 4.127 4.320 0.001 0.000 0.206 144 K C 2.143 178.691 176.600 -0.088 0.000 1.050 144 K CA 1.129 57.458 56.287 0.070 0.000 0.935 144 K CB 0.052 32.616 32.500 0.105 0.000 0.715 144 K HN 0.054 nan 8.250 nan 0.000 0.439 145 L N 0.005 121.202 121.223 -0.042 0.000 2.046 145 L HA -0.162 4.178 4.340 0.001 0.000 0.208 145 L C 1.773 178.483 176.870 -0.268 0.000 1.077 145 L CA 1.778 56.516 54.840 -0.170 0.000 0.747 145 L CB -0.590 41.362 42.059 -0.178 0.000 0.896 145 L HN 0.238 nan 8.230 nan 0.000 0.432 146 Y N -3.721 116.501 120.300 -0.130 0.000 2.462 146 Y HA 0.089 4.639 4.550 0.001 0.000 0.253 146 Y C 1.905 177.714 175.900 -0.151 0.000 1.095 146 Y CA 0.029 58.039 58.100 -0.151 0.000 1.283 146 Y CB 0.236 38.587 38.460 -0.180 0.000 1.138 146 Y HN 0.064 nan 8.280 nan 0.000 0.522 147 C N -1.048 118.240 119.300 -0.020 0.000 3.525 147 C HA 0.213 4.674 4.460 0.001 0.000 0.289 147 C C 2.335 177.076 174.990 -0.415 0.000 1.496 147 C CA -0.600 58.358 59.018 -0.099 0.000 1.804 147 C CB -0.502 27.318 27.740 0.135 0.000 2.708 147 C HN 0.432 nan 8.230 nan 0.000 0.642 148 R N 2.150 122.275 120.500 -0.624 0.000 2.139 148 R HA -0.177 4.163 4.340 0.001 0.000 0.243 148 R C 1.396 177.277 176.300 -0.699 0.000 1.145 148 R CA 1.737 57.179 56.100 -1.096 0.000 0.976 148 R CB 0.024 29.956 30.300 -0.614 0.000 0.866 148 R HN 0.631 nan 8.270 nan 0.000 0.449 149 E N -0.455 119.502 120.200 -0.404 0.000 2.472 149 E HA 0.018 4.368 4.350 0.001 0.000 0.196 149 E C -0.073 176.386 176.600 -0.235 0.000 1.033 149 E CA -0.209 56.037 56.400 -0.257 0.000 0.886 149 E CB 0.436 30.026 29.700 -0.183 0.000 0.944 149 E HN 0.242 nan 8.360 nan 0.000 0.492 150 Q N 1.115 120.711 119.800 -0.340 0.000 2.354 150 Q HA 0.055 4.395 4.340 0.001 0.000 0.244 150 Q C -1.527 174.253 176.000 -0.366 0.000 0.969 150 Q CA -1.550 53.968 55.803 -0.475 0.000 0.885 150 Q CB 0.330 28.409 28.738 -1.099 0.000 1.241 150 Q HN 0.038 nan 8.270 nan 0.000 0.461 151 P HA -0.117 nan 4.420 nan 0.000 0.226 151 P C 0.554 177.866 177.300 0.019 0.000 1.153 151 P CA 1.244 64.316 63.100 -0.046 0.000 0.777 151 P CB -0.011 31.718 31.700 0.048 0.000 0.794 152 Y N -3.989 116.378 120.300 0.110 0.000 2.466 152 Y HA 0.192 4.743 4.550 0.001 0.000 0.272 152 Y C 2.234 178.185 175.900 0.084 0.000 1.169 152 Y CA -1.218 56.934 58.100 0.085 0.000 1.285 152 Y CB -1.612 36.932 38.460 0.140 0.000 1.078 152 Y HN -0.218 nan 8.280 nan 0.000 0.523 153 Y N 1.559 121.774 120.300 -0.143 0.000 2.081 153 Y HA -0.270 4.280 4.550 0.001 0.000 0.280 153 Y C 2.145 178.052 175.900 0.012 0.000 1.163 153 Y CA 1.766 59.826 58.100 -0.067 0.000 1.135 153 Y CB -0.668 37.715 38.460 -0.127 0.000 0.970 153 Y HN 0.325 nan 8.280 nan 0.000 0.498 154 L N 1.030 122.162 121.223 -0.152 0.000 2.093 154 L HA -0.188 4.152 4.340 0.001 0.000 0.208 154 L C 1.939 178.705 176.870 -0.173 0.000 1.085 154 L CA 1.800 56.500 54.840 -0.234 0.000 0.755 154 L CB -1.107 40.880 42.059 -0.120 0.000 0.904 154 L HN 0.216 nan 8.230 nan 0.000 0.435 155 N N -0.398 118.200 118.700 -0.170 0.000 2.120 155 N HA -0.166 4.574 4.740 0.001 0.000 0.188 155 N C 1.884 177.228 175.510 -0.276 0.000 1.024 155 N CA 1.645 54.470 53.050 -0.376 0.000 0.852 155 N CB -0.275 37.776 38.487 -0.727 0.000 1.003 155 N HN 0.388 nan 8.380 nan 0.000 0.424 156 L N 0.561 121.760 121.223 -0.039 0.000 2.027 156 L HA -0.055 4.285 4.340 0.001 0.000 0.206 156 L C 2.231 179.263 176.870 0.270 0.000 1.074 156 L CA 0.732 55.690 54.840 0.196 0.000 0.745 156 L CB -0.375 41.877 42.059 0.321 0.000 0.898 156 L HN 0.100 nan 8.230 nan 0.000 0.433 157 I N -0.017 120.601 120.570 0.080 0.000 2.118 157 I HA -0.329 3.841 4.170 0.001 0.000 0.241 157 I C 2.505 178.737 176.117 0.191 0.000 1.070 157 I CA 1.604 62.981 61.300 0.128 0.000 1.327 157 I CB -0.332 37.588 38.000 -0.134 0.000 1.034 157 I HN 0.333 nan 8.210 nan 0.000 0.405 158 E N 0.364 120.598 120.200 0.057 0.000 2.110 158 E HA -0.250 4.101 4.350 0.001 0.000 0.193 158 E C 2.116 178.789 176.600 0.121 0.000 0.988 158 E CA 1.040 57.473 56.400 0.055 0.000 0.804 158 E CB -0.169 29.520 29.700 -0.019 0.000 0.745 158 E HN 0.313 nan 8.360 nan 0.000 0.458 159 L N 0.268 121.569 121.223 0.130 0.000 2.046 159 L HA -0.150 4.190 4.340 0.001 0.000 0.208 159 L C 1.959 178.914 176.870 0.142 0.000 1.077 159 L CA 1.654 56.585 54.840 0.152 0.000 0.747 159 L CB -0.450 41.697 42.059 0.147 0.000 0.896 159 L HN -0.004 nan 8.230 nan 0.000 0.432 160 F N -0.853 119.207 119.950 0.183 0.000 2.186 160 F HA -0.177 4.351 4.527 0.001 0.000 0.299 160 F C 2.207 178.185 175.800 0.297 0.000 1.090 160 F CA 1.451 59.584 58.000 0.222 0.000 1.307 160 F CB -0.396 38.682 39.000 0.129 0.000 1.019 160 F HN 0.028 nan 8.300 nan 0.000 0.489 161 L N -0.659 120.827 121.223 0.439 0.000 2.027 161 L HA -0.220 4.120 4.340 0.001 0.000 0.206 161 L C 2.526 179.551 176.870 0.258 0.000 1.074 161 L CA 1.327 56.352 54.840 0.308 0.000 0.745 161 L CB -0.735 41.413 42.059 0.147 0.000 0.898 161 L HN 0.103 nan 8.230 nan 0.000 0.433 162 Q N 0.209 120.127 119.800 0.197 0.000 2.061 162 Q HA -0.192 4.148 4.340 0.001 0.000 0.204 162 Q C 2.226 178.347 176.000 0.202 0.000 0.984 162 Q CA 2.418 58.322 55.803 0.169 0.000 0.846 162 Q CB -0.211 28.593 28.738 0.111 0.000 0.902 162 Q HN 0.347 nan 8.270 nan 0.000 0.421 163 S N -0.218 115.607 115.700 0.207 0.000 2.382 163 S HA -0.130 4.340 4.470 0.001 0.000 0.228 163 S C 2.030 176.806 174.600 0.293 0.000 1.027 163 S CA 1.115 59.449 58.200 0.223 0.000 0.991 163 S CB -0.325 63.010 63.200 0.225 0.000 0.823 163 S HN 0.436 nan 8.310 nan 0.000 0.469 164 S N 0.694 116.636 115.700 0.402 0.000 2.355 164 S HA -0.106 4.364 4.470 0.001 0.000 0.222 164 S C 1.641 176.504 174.600 0.438 0.000 1.031 164 S CA 1.183 59.729 58.200 0.577 0.000 0.993 164 S CB -0.554 62.993 63.200 0.579 0.000 0.859 164 S HN 0.649 nan 8.310 nan 0.000 0.453 165 Y N 2.429 122.866 120.300 0.229 0.000 2.128 165 Y HA -0.249 4.301 4.550 0.001 0.000 0.284 165 Y C 2.367 178.347 175.900 0.133 0.000 1.154 165 Y CA 1.797 59.992 58.100 0.157 0.000 1.149 165 Y CB -0.638 37.881 38.460 0.099 0.000 0.976 165 Y HN 0.255 nan 8.280 nan 0.000 0.505 166 Q N -0.872 118.967 119.800 0.065 0.000 2.050 166 Q HA -0.188 4.152 4.340 0.001 0.000 0.202 166 Q C 2.432 178.484 176.000 0.087 0.000 0.980 166 Q CA 2.499 58.316 55.803 0.022 0.000 0.840 166 Q CB -0.426 28.171 28.738 -0.234 0.000 0.898 166 Q HN 0.644 nan 8.270 nan 0.000 0.424 167 T N -1.358 113.208 114.554 0.020 0.000 2.904 167 T HA -0.125 4.225 4.350 0.001 0.000 0.267 167 T C 1.483 176.072 174.700 -0.185 0.000 1.059 167 T CA 1.283 63.296 62.100 -0.145 0.000 1.137 167 T CB -0.031 68.455 68.868 -0.637 0.000 0.879 167 T HN 0.234 nan 8.240 nan 0.000 0.467 168 E N 0.458 120.610 120.200 -0.079 0.000 2.106 168 E HA 0.003 4.353 4.350 0.001 0.000 0.192 168 E C 2.186 178.721 176.600 -0.108 0.000 0.984 168 E CA 0.927 57.318 56.400 -0.015 0.000 0.806 168 E CB -0.105 29.664 29.700 0.115 0.000 0.750 168 E HN 0.398 nan 8.360 nan 0.000 0.458 169 I N 0.815 121.239 120.570 -0.243 0.000 2.208 169 I HA -0.183 3.987 4.170 0.001 0.000 0.245 169 I C 2.401 178.418 176.117 -0.167 0.000 1.097 169 I CA 1.565 62.687 61.300 -0.298 0.000 1.363 169 I CB -1.466 36.228 38.000 -0.510 0.000 1.051 169 I HN 0.173 nan 8.210 nan 0.000 0.413 170 G N -0.020 108.758 108.800 -0.036 0.000 2.402 170 G HA2 -0.212 3.748 3.960 0.001 0.000 0.216 170 G HA3 -0.212 3.748 3.960 0.001 0.000 0.216 170 G C 1.503 176.399 174.900 -0.006 0.000 1.162 170 G CA 0.131 45.258 45.100 0.046 0.000 0.777 170 G HN 0.318 nan 8.290 nan 0.000 0.539 171 Q N 0.375 120.154 119.800 -0.034 0.000 2.096 171 Q HA -0.106 4.234 4.340 0.001 0.000 0.204 171 Q C 2.793 178.783 176.000 -0.016 0.000 0.982 171 Q CA 1.770 57.557 55.803 -0.026 0.000 0.850 171 Q CB -1.000 27.718 28.738 -0.033 0.000 0.901 171 Q HN 0.436 nan 8.270 nan 0.000 0.422 172 T N 1.653 116.188 114.554 -0.032 0.000 2.708 172 T HA -0.139 4.212 4.350 0.001 0.000 0.266 172 T C 1.932 176.621 174.700 -0.018 0.000 1.037 172 T CA 0.881 62.965 62.100 -0.027 0.000 1.146 172 T CB -0.240 68.599 68.868 -0.050 0.000 0.865 172 T HN 0.042 nan 8.240 nan 0.000 0.435 173 L N 1.652 122.856 121.223 -0.032 0.000 2.017 173 L HA -0.086 4.255 4.340 0.001 0.000 0.208 173 L C 2.412 179.299 176.870 0.027 0.000 1.073 173 L CA 1.692 56.526 54.840 -0.009 0.000 0.745 173 L CB -0.784 41.260 42.059 -0.025 0.000 0.894 173 L HN 0.307 nan 8.230 nan 0.000 0.432 174 D N -0.537 119.877 120.400 0.023 0.000 2.116 174 D HA -0.230 4.410 4.640 0.001 0.000 0.193 174 D C 2.132 178.465 176.300 0.055 0.000 0.998 174 D CA 1.650 55.674 54.000 0.040 0.000 0.836 174 D CB 0.122 40.937 40.800 0.025 0.000 0.951 174 D HN 0.358 nan 8.370 nan 0.000 0.449 175 L N 0.193 121.439 121.223 0.038 0.000 2.131 175 L HA -0.037 4.303 4.340 0.001 0.000 0.206 175 L C 2.778 179.679 176.870 0.052 0.000 1.087 175 L CA 0.182 55.046 54.840 0.041 0.000 0.767 175 L CB -0.249 41.823 42.059 0.022 0.000 0.917 175 L HN 0.053 nan 8.230 nan 0.000 0.441 176 L N -0.509 120.740 121.223 0.044 0.000 2.131 176 L HA -0.156 4.185 4.340 0.001 0.000 0.210 176 L C 2.224 179.138 176.870 0.074 0.000 1.092 176 L CA 1.285 56.152 54.840 0.045 0.000 0.759 176 L CB -0.654 41.422 42.059 0.028 0.000 0.903 176 L HN 0.264 nan 8.230 nan 0.000 0.435 177 T N -0.760 113.861 114.554 0.111 0.000 3.113 177 T HA 0.158 4.508 4.350 0.001 0.000 0.256 177 T C 0.895 175.761 174.700 0.278 0.000 1.131 177 T CA 0.755 62.967 62.100 0.187 0.000 1.074 177 T CB 0.085 69.097 68.868 0.240 0.000 0.944 177 T HN 0.317 nan 8.240 nan 0.000 0.516 178 A N 2.070 125.008 122.820 0.198 0.000 3.129 178 A HA 0.549 4.869 4.320 0.001 0.000 0.282 178 A C -2.833 174.826 177.584 0.125 0.000 0.948 178 A CA -1.344 50.821 52.037 0.213 0.000 1.027 178 A CB 0.214 19.318 19.000 0.174 0.000 1.123 178 A HN 0.133 nan 8.150 nan 0.000 0.485 179 P HA 0.186 nan 4.420 nan 0.000 0.264 179 P C -0.038 177.295 177.300 0.054 0.000 1.193 179 P CA 0.310 63.444 63.100 0.058 0.000 0.763 179 P CB 0.479 32.202 31.700 0.040 0.000 0.810 180 Q N 2.468 122.289 119.800 0.035 0.000 2.364 180 Q HA 0.382 4.723 4.340 0.001 0.000 0.267 180 Q C 1.162 177.173 176.000 0.018 0.000 0.999 180 Q CA 0.319 56.135 55.803 0.023 0.000 0.886 180 Q CB -0.171 28.573 28.738 0.011 0.000 1.243 180 Q HN 0.720 nan 8.270 nan 0.000 0.415 181 G N 2.355 111.164 108.800 0.014 0.000 2.212 181 G HA2 -0.300 3.661 3.960 0.001 0.000 0.266 181 G HA3 -0.300 3.661 3.960 0.001 0.000 0.266 181 G C -0.162 174.747 174.900 0.016 0.000 0.978 181 G CA 0.206 45.313 45.100 0.011 0.000 0.632 181 G HN 0.697 nan 8.290 nan 0.000 0.537 182 N N 0.945 119.660 118.700 0.024 0.000 2.816 182 N HA 0.409 5.149 4.740 0.001 0.000 0.236 182 N C 0.419 175.942 175.510 0.022 0.000 1.076 182 N CA 0.345 53.405 53.050 0.017 0.000 0.902 182 N CB 1.542 40.037 38.487 0.013 0.000 1.149 182 N HN 0.617 nan 8.380 nan 0.000 0.506 183 V N -0.365 119.562 119.914 0.022 0.000 2.508 183 V HA 0.396 4.516 4.120 0.001 0.000 0.281 183 V C 0.105 176.165 176.094 -0.057 0.000 1.041 183 V CA 0.015 62.328 62.300 0.023 0.000 1.016 183 V CB 1.158 33.005 31.823 0.040 0.000 0.984 183 V HN 0.345 nan 8.190 nan 0.000 0.478 184 D N 4.177 124.474 120.400 -0.172 0.000 2.411 184 D HA 0.295 4.935 4.640 0.001 0.000 0.239 184 D C 0.843 176.813 176.300 -0.550 0.000 1.307 184 D CA -0.330 53.511 54.000 -0.265 0.000 0.930 184 D CB 1.664 42.332 40.800 -0.221 0.000 1.395 184 D HN 0.585 nan 8.370 nan 0.000 0.536 185 L N 0.880 121.877 121.223 -0.376 0.000 2.191 185 L HA -0.099 4.242 4.340 0.001 0.000 0.212 185 L C 2.459 179.175 176.870 -0.256 0.000 1.103 185 L CA 0.572 55.187 54.840 -0.374 0.000 0.769 185 L CB -0.215 41.686 42.059 -0.264 0.000 0.908 185 L HN 0.259 nan 8.230 nan 0.000 0.438 186 V N 1.738 121.559 119.914 -0.156 0.000 2.392 186 V HA -0.286 3.834 4.120 0.001 0.000 0.249 186 V C 2.743 178.782 176.094 -0.091 0.000 1.059 186 V CA 2.247 64.510 62.300 -0.062 0.000 1.051 186 V CB -0.437 31.363 31.823 -0.038 0.000 0.658 186 V HN 0.652 nan 8.190 nan 0.000 0.455 187 R N -1.377 118.993 120.500 -0.216 0.000 2.299 187 R HA 0.019 4.359 4.340 0.001 0.000 0.197 187 R C 0.440 176.780 176.300 0.068 0.000 0.971 187 R CA 0.352 56.389 56.100 -0.106 0.000 1.030 187 R CB -0.455 29.765 30.300 -0.133 0.000 0.932 187 R HN 0.440 nan 8.270 nan 0.000 0.477 188 F N 3.590 123.552 119.950 0.020 0.000 2.661 188 F HA 0.170 4.697 4.527 0.001 0.000 0.356 188 F C 0.723 176.524 175.800 0.001 0.000 1.244 188 F CA -0.894 57.113 58.000 0.012 0.000 1.290 188 F CB -0.470 38.503 39.000 -0.045 0.000 1.677 188 F HN 0.018 nan 8.300 nan 0.000 0.649 189 T N -3.218 111.461 114.554 0.208 0.000 2.936 189 T HA 0.293 4.643 4.350 0.001 0.000 0.282 189 T C 1.259 176.034 174.700 0.125 0.000 1.003 189 T CA -0.670 61.502 62.100 0.121 0.000 1.005 189 T CB 1.966 70.891 68.868 0.095 0.000 1.097 189 T HN 0.184 nan 8.240 nan 0.000 0.532 190 E N 0.495 120.743 120.200 0.080 0.000 2.077 190 E HA -0.097 4.254 4.350 0.001 0.000 0.193 190 E C 1.989 178.691 176.600 0.170 0.000 0.989 190 E CA 1.293 57.757 56.400 0.108 0.000 0.800 190 E CB -0.166 29.572 29.700 0.062 0.000 0.746 190 E HN 0.655 nan 8.360 nan 0.000 0.452 191 K N 0.287 120.763 120.400 0.127 0.000 2.032 191 K HA -0.193 4.127 4.320 0.001 0.000 0.209 191 K C 2.248 178.929 176.600 0.135 0.000 1.048 191 K CA 1.494 57.853 56.287 0.119 0.000 0.927 191 K CB -0.133 32.420 32.500 0.088 0.000 0.712 191 K HN -0.119 nan 8.250 nan 0.000 0.441 192 R N 0.575 121.162 120.500 0.145 0.000 2.075 192 R HA -0.173 4.168 4.340 0.001 0.000 0.232 192 R C 2.054 178.448 176.300 0.158 0.000 1.126 192 R CA 1.485 57.671 56.100 0.142 0.000 0.963 192 R CB -1.042 29.354 30.300 0.159 0.000 0.858 192 R HN 0.261 nan 8.270 nan 0.000 0.435 193 Y N 1.359 121.716 120.300 0.094 0.000 2.097 193 Y HA -0.170 4.380 4.550 0.001 0.000 0.282 193 Y C 1.714 177.677 175.900 0.105 0.000 1.152 193 Y CA 2.257 60.412 58.100 0.092 0.000 1.136 193 Y CB -0.098 38.412 38.460 0.083 0.000 0.975 193 Y HN 0.057 nan 8.280 nan 0.000 0.498 194 K N -0.384 120.113 120.400 0.161 0.000 2.063 194 K HA -0.164 4.157 4.320 0.001 0.000 0.208 194 K C 2.173 178.790 176.600 0.029 0.000 1.048 194 K CA 1.723 58.062 56.287 0.086 0.000 0.928 194 K CB -0.282 32.308 32.500 0.150 0.000 0.713 194 K HN 0.279 nan 8.250 nan 0.000 0.442 195 S N 1.325 117.070 115.700 0.075 0.000 2.368 195 S HA -0.075 4.395 4.470 0.001 0.000 0.224 195 S C 2.029 176.711 174.600 0.136 0.000 1.029 195 S CA 0.958 59.239 58.200 0.135 0.000 0.988 195 S CB -0.235 63.035 63.200 0.117 0.000 0.838 195 S HN 0.202 nan 8.310 nan 0.000 0.462 196 I N 1.915 122.496 120.570 0.018 0.000 2.142 196 I HA -0.164 4.006 4.170 0.001 0.000 0.240 196 I C 2.524 178.626 176.117 -0.025 0.000 1.078 196 I CA 1.351 62.647 61.300 -0.007 0.000 1.343 196 I CB -0.664 37.293 38.000 -0.071 0.000 1.046 196 I HN 0.272 nan 8.210 nan 0.000 0.405 197 V N -0.983 118.819 119.914 -0.187 0.000 2.667 197 V HA -0.188 3.932 4.120 0.001 0.000 0.252 197 V C 2.421 178.485 176.094 -0.049 0.000 1.065 197 V CA 1.579 63.782 62.300 -0.163 0.000 1.083 197 V CB -0.861 30.762 31.823 -0.333 0.000 0.692 197 V HN 0.388 nan 8.190 nan 0.000 0.468 198 K N -0.520 119.860 120.400 -0.034 0.000 2.032 198 K HA -0.196 4.124 4.320 0.001 0.000 0.209 198 K C 2.070 178.634 176.600 -0.060 0.000 1.048 198 K CA 2.347 58.565 56.287 -0.116 0.000 0.927 198 K CB -0.409 32.044 32.500 -0.079 0.000 0.712 198 K HN 0.574 nan 8.250 nan 0.000 0.441 199 Y N 0.605 120.995 120.300 0.150 0.000 2.314 199 Y HA -0.031 4.519 4.550 0.001 0.000 0.294 199 Y C 2.128 178.142 175.900 0.191 0.000 1.119 199 Y CA 1.484 59.756 58.100 0.286 0.000 1.179 199 Y CB 0.187 38.730 38.460 0.137 0.000 1.025 199 Y HN 0.143 nan 8.280 nan 0.000 0.541 200 K N -1.747 118.785 120.400 0.221 0.000 2.365 200 K HA 0.085 4.406 4.320 0.001 0.000 0.197 200 K C 0.888 177.613 176.600 0.209 0.000 1.042 200 K CA 1.658 58.020 56.287 0.124 0.000 0.987 200 K CB 0.061 32.596 32.500 0.059 0.000 0.779 200 K HN 0.034 nan 8.250 nan 0.000 0.484 201 T N -0.566 114.113 114.554 0.209 0.000 3.177 201 T HA 0.258 4.609 4.350 0.001 0.000 0.262 201 T C 1.770 176.520 174.700 0.084 0.000 0.959 201 T CA 0.222 62.441 62.100 0.199 0.000 0.996 201 T CB 0.246 69.220 68.868 0.176 0.000 1.185 201 T HN 0.256 nan 8.240 nan 0.000 0.486 202 A N 1.028 123.871 122.820 0.038 0.000 1.898 202 A HA 0.098 4.418 4.320 0.001 0.000 0.216 202 A C 1.798 179.356 177.584 -0.044 0.000 1.181 202 A CA 1.374 53.379 52.037 -0.053 0.000 0.620 202 A CB -0.922 17.919 19.000 -0.264 0.000 0.819 202 A HN 0.394 nan 8.150 nan 0.000 0.442 203 F N -0.813 119.183 119.950 0.077 0.000 2.084 203 F HA -0.157 4.370 4.527 0.001 0.000 0.296 203 F C 2.404 178.313 175.800 0.182 0.000 1.111 203 F CA 1.864 59.949 58.000 0.141 0.000 1.224 203 F CB -1.032 38.025 39.000 0.094 0.000 0.991 203 F HN 0.547 nan 8.300 nan 0.000 0.471 204 Y N -1.557 118.887 120.300 0.239 0.000 2.420 204 Y HA 0.116 4.666 4.550 0.001 0.000 0.292 204 Y C 1.956 177.864 175.900 0.013 0.000 1.119 204 Y CA 0.948 59.124 58.100 0.126 0.000 1.229 204 Y CB -1.042 37.488 38.460 0.118 0.000 1.026 204 Y HN -0.103 nan 8.280 nan 0.000 0.554 205 S N -0.592 114.683 115.700 -0.709 0.000 2.478 205 S HA 0.168 4.639 4.470 0.001 0.000 0.222 205 S C 0.794 174.829 174.600 -0.942 0.000 1.008 205 S CA 0.668 58.307 58.200 -0.934 0.000 0.928 205 S CB -0.192 62.382 63.200 -1.043 0.000 0.781 205 S HN 0.494 nan 8.310 nan 0.000 0.518 206 F N -1.796 118.017 119.950 -0.228 0.000 2.421 206 F HA 0.315 4.843 4.527 0.001 0.000 0.270 206 F C 1.719 177.505 175.800 -0.023 0.000 0.894 206 F CA -0.522 57.399 58.000 -0.132 0.000 1.128 206 F CB -0.444 38.485 39.000 -0.119 0.000 1.011 206 F HN 0.042 nan 8.300 nan 0.000 0.788 207 Y N 1.380 121.741 120.300 0.102 0.000 2.145 207 Y HA -0.197 4.354 4.550 0.001 0.000 0.286 207 Y C 2.294 178.233 175.900 0.065 0.000 1.145 207 Y CA 1.614 59.772 58.100 0.096 0.000 1.148 207 Y CB -0.710 37.837 38.460 0.146 0.000 0.981 207 Y HN 0.072 nan 8.280 nan 0.000 0.507 208 L N 1.193 122.357 121.223 -0.099 0.000 1.990 208 L HA -0.121 4.220 4.340 0.001 0.000 0.213 208 L C -0.851 175.841 176.870 -0.296 0.000 1.072 208 L CA 2.318 57.015 54.840 -0.238 0.000 0.755 208 L CB -1.919 40.073 42.059 -0.112 0.000 0.889 208 L HN 0.106 nan 8.230 nan 0.000 0.432 209 P HA -0.148 nan 4.420 nan 0.000 0.215 209 P C 2.123 179.311 177.300 -0.186 0.000 1.157 209 P CA 1.482 64.473 63.100 -0.182 0.000 0.863 209 P CB -0.145 31.441 31.700 -0.190 0.000 0.787 210 I N -0.371 120.070 120.570 -0.214 0.000 2.252 210 I HA -0.173 3.998 4.170 0.001 0.000 0.245 210 I C 2.241 178.189 176.117 -0.282 0.000 1.102 210 I CA 1.635 62.799 61.300 -0.227 0.000 1.385 210 I CB -1.747 36.140 38.000 -0.188 0.000 1.064 210 I HN -0.086 nan 8.210 nan 0.000 0.414 211 A N 0.879 123.443 122.820 -0.427 0.000 1.933 211 A HA -0.088 4.232 4.320 0.001 0.000 0.218 211 A C 2.574 180.088 177.584 -0.117 0.000 1.175 211 A CA 1.767 53.557 52.037 -0.411 0.000 0.628 211 A CB -0.627 17.894 19.000 -0.798 0.000 0.814 211 A HN 0.412 nan 8.150 nan 0.000 0.444 212 A N -0.131 122.645 122.820 -0.073 0.000 1.902 212 A HA 0.173 4.493 4.320 0.001 0.000 0.217 212 A C 2.469 180.079 177.584 0.045 0.000 1.181 212 A CA 1.994 54.082 52.037 0.084 0.000 0.623 212 A CB -0.907 18.126 19.000 0.055 0.000 0.818 212 A HN 1.025 nan 8.150 nan 0.000 0.443 213 A N -0.772 122.031 122.820 -0.028 0.000 1.968 213 A HA -0.012 4.308 4.320 0.001 0.000 0.217 213 A C 2.211 179.779 177.584 -0.028 0.000 1.169 213 A CA 1.561 53.604 52.037 0.009 0.000 0.638 213 A CB -0.496 18.499 19.000 -0.009 0.000 0.812 213 A HN 0.526 nan 8.150 nan 0.000 0.446 214 M N -1.952 117.574 119.600 -0.123 0.000 2.117 214 M HA -0.142 4.338 4.480 0.001 0.000 0.262 214 M C 2.027 178.293 176.300 -0.056 0.000 1.065 214 M CA 1.540 56.732 55.300 -0.180 0.000 1.114 214 M CB -0.469 31.870 32.600 -0.435 0.000 1.361 214 M HN 0.518 nan 8.290 nan 0.000 0.408 215 Y N 0.000 120.342 120.300 0.070 0.000 2.242 215 Y HA -0.083 4.467 4.550 0.001 0.000 0.291 215 Y C 2.304 178.120 175.900 -0.140 0.000 1.137 215 Y CA 1.227 59.366 58.100 0.065 0.000 1.181 215 Y CB -0.598 37.919 38.460 0.096 0.000 0.989 215 Y HN 0.200 nan 8.280 nan 0.000 0.527 216 M N -1.113 118.376 119.600 -0.186 0.000 2.296 216 M HA -0.104 4.376 4.480 0.001 0.000 0.265 216 M C 1.958 178.218 176.300 -0.067 0.000 1.064 216 M CA 1.436 56.407 55.300 -0.549 0.000 1.109 216 M CB -0.220 32.173 32.600 -0.345 0.000 1.396 216 M HN 0.214 nan 8.290 nan 0.000 0.430 217 A N -0.151 122.670 122.820 0.002 0.000 2.302 217 A HA 0.413 4.733 4.320 0.001 0.000 0.219 217 A C 1.572 179.173 177.584 0.028 0.000 1.243 217 A CA 0.618 52.639 52.037 -0.027 0.000 0.856 217 A CB -0.907 18.026 19.000 -0.112 0.000 0.893 217 A HN 0.648 nan 8.150 nan 0.000 0.491 218 G N -0.560 108.300 108.800 0.101 0.000 2.148 218 G HA2 -0.242 3.718 3.960 0.001 0.000 0.254 218 G HA3 -0.242 3.718 3.960 0.001 0.000 0.254 218 G C 0.116 175.094 174.900 0.129 0.000 0.981 218 G CA 0.381 45.569 45.100 0.146 0.000 0.670 218 G HN 0.580 nan 8.290 nan 0.000 0.528 219 I N 2.099 122.726 120.570 0.095 0.000 2.276 219 I HA 0.262 4.432 4.170 0.001 0.000 0.290 219 I C 0.638 176.850 176.117 0.158 0.000 1.109 219 I CA -0.060 61.280 61.300 0.068 0.000 1.229 219 I CB 0.679 38.652 38.000 -0.044 0.000 1.452 219 I HN 0.236 nan 8.210 nan 0.000 0.497 220 D N 3.671 124.214 120.400 0.239 0.000 2.469 220 D HA 0.059 4.700 4.640 0.001 0.000 0.215 220 D C 0.772 177.236 176.300 0.272 0.000 1.154 220 D CA -0.181 54.023 54.000 0.340 0.000 0.832 220 D CB 0.472 41.517 40.800 0.408 0.000 1.008 220 D HN 0.406 nan 8.370 nan 0.000 0.506 221 G N 1.239 110.181 108.800 0.238 0.000 2.365 221 G HA2 0.018 3.978 3.960 0.001 0.000 0.249 221 G HA3 0.018 3.978 3.960 0.001 0.000 0.249 221 G C 0.663 175.694 174.900 0.218 0.000 1.288 221 G CA -0.282 44.928 45.100 0.183 0.000 0.887 221 G HN 0.132 nan 8.290 nan 0.000 0.524 222 E N 1.633 121.924 120.200 0.152 0.000 2.058 222 E HA -0.196 4.155 4.350 0.001 0.000 0.194 222 E C 2.189 178.876 176.600 0.145 0.000 0.997 222 E CA 1.393 57.877 56.400 0.139 0.000 0.801 222 E CB 0.066 29.822 29.700 0.094 0.000 0.746 222 E HN 0.458 nan 8.360 nan 0.000 0.450 223 K N 0.879 121.345 120.400 0.109 0.000 2.057 223 K HA -0.155 4.165 4.320 0.001 0.000 0.207 223 K C 1.830 178.484 176.600 0.091 0.000 1.049 223 K CA 1.636 57.976 56.287 0.088 0.000 0.931 223 K CB 0.003 32.546 32.500 0.072 0.000 0.714 223 K HN 0.202 nan 8.250 nan 0.000 0.440 224 E N -0.835 119.423 120.200 0.096 0.000 2.077 224 E HA -0.203 4.147 4.350 0.001 0.000 0.193 224 E C 2.043 178.663 176.600 0.033 0.000 0.989 224 E CA 1.019 57.451 56.400 0.053 0.000 0.800 224 E CB -0.217 29.495 29.700 0.021 0.000 0.746 224 E HN 0.501 nan 8.360 nan 0.000 0.452 225 H N 0.088 119.188 119.070 0.051 0.000 2.357 225 H HA 0.005 4.561 4.556 0.001 0.000 0.301 225 H C 2.194 177.579 175.328 0.095 0.000 1.082 225 H CA 1.206 57.318 56.048 0.106 0.000 1.342 225 H CB 0.096 29.927 29.762 0.115 0.000 1.389 225 H HN 0.163 nan 8.280 nan 0.000 0.511 226 A N 1.614 124.518 122.820 0.139 0.000 1.877 226 A HA -0.207 4.114 4.320 0.001 0.000 0.216 226 A C 2.237 179.774 177.584 -0.079 0.000 1.186 226 A CA 1.664 53.706 52.037 0.008 0.000 0.620 226 A CB -0.355 18.652 19.000 0.012 0.000 0.822 226 A HN 0.379 nan 8.150 nan 0.000 0.443 227 N N 0.493 119.165 118.700 -0.046 0.000 2.104 227 N HA -0.122 4.618 4.740 0.001 0.000 0.190 227 N C 1.833 177.244 175.510 -0.165 0.000 1.024 227 N CA 1.665 54.642 53.050 -0.123 0.000 0.853 227 N CB -0.607 37.919 38.487 0.065 0.000 1.008 227 N HN 0.488 nan 8.380 nan 0.000 0.424 228 A N 1.033 123.848 122.820 -0.009 0.000 1.898 228 A HA -0.147 4.173 4.320 0.001 0.000 0.216 228 A C 2.166 179.797 177.584 0.078 0.000 1.181 228 A CA 1.707 53.805 52.037 0.102 0.000 0.620 228 A CB -0.508 18.631 19.000 0.231 0.000 0.819 228 A HN 0.332 nan 8.150 nan 0.000 0.442 229 K N -0.161 120.279 120.400 0.067 0.000 2.152 229 K HA -0.217 4.103 4.320 0.001 0.000 0.206 229 K C 1.963 178.450 176.600 -0.188 0.000 1.048 229 K CA 1.917 58.167 56.287 -0.060 0.000 0.933 229 K CB -0.131 32.180 32.500 -0.315 0.000 0.721 229 K HN 0.270 nan 8.250 nan 0.000 0.447 230 K N 0.753 120.967 120.400 -0.309 0.000 2.026 230 K HA -0.042 4.278 4.320 0.001 0.000 0.208 230 K C 1.791 178.181 176.600 -0.350 0.000 1.048 230 K CA 1.670 57.695 56.287 -0.437 0.000 0.929 230 K CB -0.151 31.799 32.500 -0.917 0.000 0.713 230 K HN 0.203 nan 8.250 nan 0.000 0.439 231 I N 0.147 120.506 120.570 -0.352 0.000 2.202 231 I HA -0.281 3.890 4.170 0.001 0.000 0.242 231 I C 1.954 177.977 176.117 -0.157 0.000 1.091 231 I CA 1.141 62.259 61.300 -0.302 0.000 1.368 231 I CB -0.182 37.490 38.000 -0.547 0.000 1.058 231 I HN 0.106 nan 8.210 nan 0.000 0.410 232 L N -0.049 121.148 121.223 -0.043 0.000 2.072 232 L HA -0.154 4.187 4.340 0.001 0.000 0.205 232 L C 2.476 179.308 176.870 -0.063 0.000 1.079 232 L CA 0.982 55.862 54.840 0.068 0.000 0.752 232 L CB -0.472 41.739 42.059 0.255 0.000 0.906 232 L HN 0.225 nan 8.230 nan 0.000 0.436 233 L N -0.582 120.554 121.223 -0.146 0.000 2.046 233 L HA -0.189 4.152 4.340 0.001 0.000 0.208 233 L C 2.727 179.482 176.870 -0.192 0.000 1.077 233 L CA 1.071 55.760 54.840 -0.252 0.000 0.747 233 L CB -0.572 41.270 42.059 -0.361 0.000 0.896 233 L HN 0.295 nan 8.230 nan 0.000 0.432 234 E N -0.109 120.005 120.200 -0.144 0.000 2.110 234 E HA -0.193 4.157 4.350 0.001 0.000 0.193 234 E C 2.260 178.817 176.600 -0.072 0.000 0.988 234 E CA 1.230 57.590 56.400 -0.067 0.000 0.804 234 E CB -0.127 29.547 29.700 -0.043 0.000 0.745 234 E HN 0.527 nan 8.360 nan 0.000 0.458 235 M N -0.351 119.143 119.600 -0.178 0.000 2.117 235 M HA -0.091 4.389 4.480 0.001 0.000 0.262 235 M C 2.337 178.316 176.300 -0.534 0.000 1.065 235 M CA 1.623 56.755 55.300 -0.280 0.000 1.114 235 M CB -0.510 31.868 32.600 -0.369 0.000 1.361 235 M HN 0.107 nan 8.290 nan 0.000 0.408 236 G N -0.147 108.252 108.800 -0.668 0.000 2.418 236 G HA2 -0.242 3.718 3.960 0.001 0.000 0.217 236 G HA3 -0.242 3.718 3.960 0.001 0.000 0.217 236 G C 1.322 176.144 174.900 -0.130 0.000 1.158 236 G CA 0.972 45.754 45.100 -0.530 0.000 0.771 236 G HN 0.544 nan 8.290 nan 0.000 0.545 237 E N -0.344 119.815 120.200 -0.069 0.000 2.038 237 E HA -0.195 4.155 4.350 0.001 0.000 0.195 237 E C 2.100 178.764 176.600 0.107 0.000 1.000 237 E CA 1.082 57.504 56.400 0.038 0.000 0.803 237 E CB -0.318 29.434 29.700 0.087 0.000 0.750 237 E HN 0.370 nan 8.360 nan 0.000 0.448 238 F N 0.643 120.619 119.950 0.043 0.000 2.091 238 F HA -0.238 4.290 4.527 0.001 0.000 0.299 238 F C 1.962 177.821 175.800 0.098 0.000 1.103 238 F CA 1.802 59.868 58.000 0.111 0.000 1.228 238 F CB -0.677 38.357 39.000 0.058 0.000 0.984 238 F HN 0.125 nan 8.300 nan 0.000 0.477 239 F N 0.981 120.724 119.950 -0.346 0.000 2.134 239 F HA -0.216 4.312 4.527 0.001 0.000 0.299 239 F C 2.597 178.267 175.800 -0.217 0.000 1.097 239 F CA 1.993 59.804 58.000 -0.315 0.000 1.264 239 F CB -0.632 38.339 39.000 -0.048 0.000 1.001 239 F HN 0.099 nan 8.300 nan 0.000 0.479 240 Q N 0.948 120.770 119.800 0.037 0.000 2.084 240 Q HA -0.163 4.177 4.340 0.001 0.000 0.202 240 Q C 2.040 177.989 176.000 -0.084 0.000 0.978 240 Q CA 2.121 57.925 55.803 0.003 0.000 0.844 240 Q CB -0.579 28.192 28.738 0.054 0.000 0.898 240 Q HN 0.624 nan 8.270 nan 0.000 0.426 241 I N 0.138 120.629 120.570 -0.132 0.000 2.226 241 I HA -0.313 3.857 4.170 0.001 0.000 0.245 241 I C 2.544 178.433 176.117 -0.379 0.000 1.100 241 I CA 1.617 62.746 61.300 -0.285 0.000 1.374 241 I CB -0.402 37.199 38.000 -0.666 0.000 1.057 241 I HN 0.405 nan 8.210 nan 0.000 0.413 242 Q N 0.897 120.417 119.800 -0.466 0.000 2.135 242 Q HA -0.309 4.031 4.340 0.001 0.000 0.204 242 Q C 1.744 177.516 176.000 -0.380 0.000 0.981 242 Q CA 2.347 57.890 55.803 -0.433 0.000 0.856 242 Q CB -0.077 28.290 28.738 -0.619 0.000 0.902 242 Q HN 0.499 nan 8.270 nan 0.000 0.425 243 D N -0.121 120.042 120.400 -0.396 0.000 2.144 243 D HA -0.169 4.472 4.640 0.001 0.000 0.200 243 D C 1.217 177.427 176.300 -0.149 0.000 0.978 243 D CA 1.535 55.367 54.000 -0.280 0.000 0.833 243 D CB 0.007 40.669 40.800 -0.231 0.000 0.961 243 D HN 0.291 nan 8.370 nan 0.000 0.470 244 D N -0.799 119.545 120.400 -0.094 0.000 2.117 244 D HA -0.178 4.463 4.640 0.001 0.000 0.198 244 D C 1.651 177.910 176.300 -0.067 0.000 0.982 244 D CA 0.722 54.709 54.000 -0.022 0.000 0.828 244 D CB -0.582 40.277 40.800 0.099 0.000 0.967 244 D HN 0.369 nan 8.370 nan 0.000 0.464 245 Y N 1.499 121.633 120.300 -0.275 0.000 2.128 245 Y HA -0.157 4.393 4.550 0.001 0.000 0.284 245 Y C 2.164 177.944 175.900 -0.200 0.000 1.154 245 Y CA 1.383 59.284 58.100 -0.331 0.000 1.149 245 Y CB -0.396 37.423 38.460 -1.068 0.000 0.976 245 Y HN -0.098 nan 8.280 nan 0.000 0.505 246 L N 0.099 121.200 121.223 -0.203 0.000 2.191 246 L HA -0.210 4.131 4.340 0.001 0.000 0.212 246 L C 2.066 178.818 176.870 -0.197 0.000 1.103 246 L CA 1.702 56.436 54.840 -0.178 0.000 0.769 246 L CB -0.652 41.347 42.059 -0.101 0.000 0.908 246 L HN 0.304 nan 8.230 nan 0.000 0.438 247 D N -0.004 120.287 120.400 -0.181 0.000 2.149 247 D HA -0.240 4.400 4.640 0.001 0.000 0.198 247 D C 1.937 178.108 176.300 -0.215 0.000 0.990 247 D CA 1.195 55.105 54.000 -0.151 0.000 0.839 247 D CB 0.259 40.994 40.800 -0.107 0.000 0.948 247 D HN 0.135 nan 8.370 nan 0.000 0.460 248 L N -1.492 119.524 121.223 -0.344 0.000 2.349 248 L HA 0.277 4.618 4.340 0.001 0.000 0.200 248 L C 0.875 177.377 176.870 -0.612 0.000 1.064 248 L CA 1.002 55.527 54.840 -0.525 0.000 0.821 248 L CB -0.235 41.377 42.059 -0.745 0.000 1.027 248 L HN -0.031 nan 8.230 nan 0.000 0.476 249 F N 0.079 119.764 119.950 -0.442 0.000 2.641 249 F HA 0.483 5.011 4.527 0.000 0.000 0.302 249 F C 1.228 176.843 175.800 -0.307 0.000 1.098 249 F CA -0.275 57.452 58.000 -0.454 0.000 1.318 249 F CB -0.437 38.044 39.000 -0.865 0.000 1.035 249 F HN 0.071 nan 8.300 nan 0.000 0.551 250 G N -0.545 108.180 108.800 -0.125 0.000 2.410 250 G HA2 0.295 4.255 3.960 0.001 0.000 0.330 250 G HA3 0.295 4.255 3.960 0.001 0.000 0.330 250 G C -1.410 173.472 174.900 -0.030 0.000 1.142 250 G CA -0.380 44.695 45.100 -0.042 0.000 0.902 250 G HN -0.046 nan 8.290 nan 0.000 0.491 251 D N 1.170 121.569 120.400 -0.002 0.000 2.316 251 D HA 0.299 4.939 4.640 0.001 0.000 0.245 251 D C -1.422 174.871 176.300 -0.011 0.000 1.171 251 D CA -2.269 51.728 54.000 -0.004 0.000 0.856 251 D CB 1.841 42.647 40.800 0.010 0.000 1.090 251 D HN -0.045 nan 8.370 nan 0.000 0.476 252 P HA -0.121 nan 4.420 nan 0.000 0.229 252 P C 1.046 178.342 177.300 -0.007 0.000 1.150 252 P CA 0.844 63.934 63.100 -0.017 0.000 0.765 252 P CB 0.141 31.829 31.700 -0.020 0.000 0.783 253 S N -2.321 113.376 115.700 -0.004 0.000 2.446 253 S HA -0.026 4.444 4.470 0.001 0.000 0.225 253 S C 1.696 176.297 174.600 0.002 0.000 1.016 253 S CA 0.769 58.969 58.200 0.001 0.000 0.943 253 S CB -1.094 62.108 63.200 0.003 0.000 0.786 253 S HN 0.008 nan 8.310 nan 0.000 0.508 254 V N 2.373 122.289 119.914 0.002 0.000 2.672 254 V HA -0.003 4.118 4.120 0.001 0.000 0.242 254 V C 3.045 179.139 176.094 -0.000 0.000 1.059 254 V CA 1.544 63.846 62.300 0.004 0.000 1.081 254 V CB -0.782 31.047 31.823 0.010 0.000 0.752 254 V HN 0.783 nan 8.190 nan 0.000 0.472 255 T N -1.601 112.949 114.554 -0.006 0.000 2.904 255 T HA 0.087 4.437 4.350 0.001 0.000 0.267 255 T C 1.749 176.446 174.700 -0.006 0.000 1.059 255 T CA 1.471 63.565 62.100 -0.011 0.000 1.137 255 T CB -0.076 68.778 68.868 -0.023 0.000 0.879 255 T HN 1.078 nan 8.240 nan 0.000 0.467 256 G N 1.982 110.780 108.800 -0.004 0.000 2.159 256 G HA2 -0.249 3.711 3.960 0.001 0.000 0.256 256 G HA3 -0.249 3.711 3.960 0.001 0.000 0.256 256 G C -0.059 174.846 174.900 0.009 0.000 0.977 256 G CA 0.474 45.574 45.100 0.000 0.000 0.652 256 G HN 1.032 nan 8.290 nan 0.000 0.531 257 K N -0.612 119.791 120.400 0.004 0.000 2.502 257 K HA 0.760 5.080 4.320 0.001 0.000 0.257 257 K C -0.674 175.922 176.600 -0.007 0.000 0.938 257 K CA -1.370 54.924 56.287 0.010 0.000 0.819 257 K CB 1.978 34.491 32.500 0.022 0.000 1.333 257 K HN 0.089 nan 8.250 nan 0.000 0.434 258 I N 2.053 122.621 120.570 -0.003 0.000 2.395 258 I HA 0.213 4.384 4.170 0.001 0.000 0.289 258 I C 0.867 176.967 176.117 -0.029 0.000 1.023 258 I CA -0.270 61.018 61.300 -0.021 0.000 1.350 258 I CB 1.463 39.454 38.000 -0.015 0.000 1.409 258 I HN 0.846 nan 8.210 nan 0.000 0.507 259 G N 2.820 111.585 108.800 -0.058 0.000 2.544 259 G HA2 0.383 4.344 3.960 0.001 0.000 0.242 259 G HA3 0.383 4.344 3.960 0.001 0.000 0.242 259 G C 0.534 175.396 174.900 -0.064 0.000 1.247 259 G CA 0.060 45.117 45.100 -0.071 0.000 0.840 259 G HN 0.751 nan 8.290 nan 0.000 0.578 260 T N -2.355 112.164 114.554 -0.059 0.000 3.186 260 T HA 0.129 4.479 4.350 0.001 0.000 0.292 260 T C 0.850 175.501 174.700 -0.081 0.000 0.915 260 T CA 0.109 62.173 62.100 -0.060 0.000 0.902 260 T CB 0.424 69.276 68.868 -0.025 0.000 1.192 260 T HN 0.285 nan 8.240 nan 0.000 0.563 261 D N 2.131 122.485 120.400 -0.077 0.000 2.123 261 D HA 0.024 4.665 4.640 0.001 0.000 0.196 261 D C 1.850 178.055 176.300 -0.158 0.000 0.992 261 D CA 1.026 54.985 54.000 -0.068 0.000 0.833 261 D CB -0.126 40.661 40.800 -0.022 0.000 0.954 261 D HN 0.453 nan 8.370 nan 0.000 0.455 262 I N 0.448 120.885 120.570 -0.221 0.000 2.202 262 I HA -0.287 3.884 4.170 0.001 0.000 0.242 262 I C 2.347 178.137 176.117 -0.546 0.000 1.091 262 I CA 1.001 61.997 61.300 -0.506 0.000 1.368 262 I CB -0.199 37.605 38.000 -0.326 0.000 1.058 262 I HN -0.093 nan 8.210 nan 0.000 0.410 263 Q N 0.723 120.347 119.800 -0.293 0.000 2.077 263 Q HA -0.231 4.109 4.340 0.001 0.000 0.206 263 Q C 1.469 177.366 176.000 -0.172 0.000 0.989 263 Q CA 1.644 57.323 55.803 -0.206 0.000 0.853 263 Q CB -0.251 28.412 28.738 -0.125 0.000 0.907 263 Q HN 0.390 nan 8.270 nan 0.000 0.418 264 D N -0.401 119.915 120.400 -0.140 0.000 2.363 264 D HA -0.027 4.613 4.640 0.001 0.000 0.226 264 D C -0.216 176.057 176.300 -0.045 0.000 1.020 264 D CA 0.225 54.182 54.000 -0.070 0.000 0.892 264 D CB -0.279 40.499 40.800 -0.036 0.000 0.900 264 D HN 0.196 nan 8.370 nan 0.000 0.531 265 N N 0.803 119.423 118.700 -0.134 0.000 2.740 265 N HA -0.180 4.560 4.740 0.001 0.000 0.248 265 N C -0.921 174.749 175.510 0.266 0.000 1.062 265 N CA 0.457 53.535 53.050 0.048 0.000 0.704 265 N CB -0.544 38.035 38.487 0.153 0.000 0.968 265 N HN 0.006 nan 8.380 nan 0.000 0.547 266 K N 0.007 120.467 120.400 0.099 0.000 2.185 266 K HA 0.226 4.546 4.320 0.001 0.000 0.271 266 K C 0.360 176.799 176.600 -0.270 0.000 1.013 266 K CA -0.429 55.876 56.287 0.031 0.000 0.943 266 K CB 1.031 33.540 32.500 0.014 0.000 0.998 266 K HN 0.299 nan 8.250 nan 0.000 0.468 267 C N 3.325 122.424 119.300 -0.335 0.000 3.183 267 C HA 0.081 4.541 4.460 0.001 0.000 0.545 267 C C 1.078 176.013 174.990 -0.091 0.000 1.044 267 C CA -0.094 58.591 59.018 -0.556 0.000 1.117 267 C CB -2.130 25.588 27.740 -0.036 0.000 1.393 267 C HN 0.654 nan 8.230 nan 0.000 0.611 268 S N 1.680 117.298 115.700 -0.137 0.000 2.603 268 S HA 0.139 4.609 4.470 0.001 0.000 0.268 268 S C 0.674 175.206 174.600 -0.112 0.000 1.317 268 S CA -0.432 57.794 58.200 0.044 0.000 1.012 268 S CB 0.398 63.620 63.200 0.036 0.000 0.926 268 S HN 0.865 nan 8.310 nan 0.000 0.539 269 W N 3.573 124.644 121.300 -0.381 0.000 2.363 269 W HA -0.042 4.618 4.660 0.000 0.000 0.296 269 W C 1.572 177.811 176.519 -0.466 0.000 1.212 269 W CA 1.148 58.036 57.345 -0.762 0.000 1.260 269 W CB -0.351 28.722 29.460 -0.645 0.000 1.131 269 W HN 0.714 nan 8.180 nan 0.000 0.530 270 L N -0.566 120.557 121.223 -0.167 0.000 2.017 270 L HA -0.241 4.099 4.340 0.001 0.000 0.208 270 L C 2.409 178.864 176.870 -0.692 0.000 1.073 270 L CA 1.451 56.014 54.840 -0.461 0.000 0.745 270 L CB -1.536 40.278 42.059 -0.407 0.000 0.894 270 L HN -0.080 nan 8.230 nan 0.000 0.432 271 V N -0.631 119.031 119.914 -0.419 0.000 2.548 271 V HA -0.168 3.952 4.120 0.001 0.000 0.249 271 V C 2.300 178.196 176.094 -0.330 0.000 1.055 271 V CA 1.231 63.344 62.300 -0.313 0.000 1.065 271 V CB 0.377 31.968 31.823 -0.386 0.000 0.681 271 V HN 0.201 nan 8.190 nan 0.000 0.462 272 V N -0.145 119.522 119.914 -0.411 0.000 2.453 272 V HA -0.184 3.936 4.120 0.001 0.000 0.247 272 V C 2.593 178.433 176.094 -0.423 0.000 1.048 272 V CA 1.866 63.958 62.300 -0.348 0.000 1.049 272 V CB -0.616 30.965 31.823 -0.403 0.000 0.672 272 V HN 0.514 nan 8.190 nan 0.000 0.457 273 Q N -0.989 118.408 119.800 -0.673 0.000 2.123 273 Q HA -0.171 4.170 4.340 0.001 0.000 0.199 273 Q C 2.442 178.208 176.000 -0.390 0.000 0.966 273 Q CA 1.782 57.192 55.803 -0.655 0.000 0.845 273 Q CB -1.143 26.960 28.738 -1.059 0.000 0.907 273 Q HN 0.715 nan 8.270 nan 0.000 0.439 274 C N 0.471 119.551 119.300 -0.366 0.000 2.425 274 C HA -0.079 4.382 4.460 0.001 0.000 0.277 274 C C 2.636 177.581 174.990 -0.076 0.000 1.280 274 C CA 0.477 59.397 59.018 -0.164 0.000 1.744 274 C CB -1.055 26.664 27.740 -0.034 0.000 1.989 274 C HN 0.446 nan 8.230 nan 0.000 0.491 275 L N 0.069 121.235 121.223 -0.094 0.000 2.291 275 L HA -0.085 4.255 4.340 0.001 0.000 0.214 275 L C 2.785 179.652 176.870 -0.005 0.000 1.120 275 L CA 1.196 56.031 54.840 -0.008 0.000 0.799 275 L CB -0.561 41.503 42.059 0.009 0.000 0.925 275 L HN 0.458 nan 8.230 nan 0.000 0.446 276 Q N -0.382 119.374 119.800 -0.073 0.000 2.389 276 Q HA -0.032 4.309 4.340 0.001 0.000 0.204 276 Q C 1.540 177.512 176.000 -0.046 0.000 0.944 276 Q CA 0.650 56.414 55.803 -0.064 0.000 0.908 276 Q CB 0.324 28.995 28.738 -0.110 0.000 1.002 276 Q HN 0.464 nan 8.270 nan 0.000 0.493 277 R N -0.349 120.123 120.500 -0.047 0.000 2.437 277 R HA 0.302 4.642 4.340 0.001 0.000 0.257 277 R C -0.046 176.259 176.300 0.008 0.000 0.927 277 R CA -0.156 55.929 56.100 -0.025 0.000 1.078 277 R CB 0.921 31.197 30.300 -0.040 0.000 1.161 277 R HN -0.071 nan 8.270 nan 0.000 0.529 278 A N 2.098 124.936 122.820 0.030 0.000 2.404 278 A HA 0.212 4.532 4.320 0.001 0.000 0.273 278 A C 0.723 178.348 177.584 0.068 0.000 1.144 278 A CA -0.293 51.785 52.037 0.068 0.000 0.806 278 A CB 0.109 19.180 19.000 0.119 0.000 1.080 278 A HN 0.288 nan 8.150 nan 0.000 0.509 279 T N 1.372 115.959 114.554 0.056 0.000 2.734 279 T HA 0.248 4.598 4.350 0.001 0.000 0.314 279 T C -1.665 173.073 174.700 0.064 0.000 1.057 279 T CA -0.729 61.397 62.100 0.043 0.000 1.047 279 T CB 0.153 69.041 68.868 0.034 0.000 0.991 279 T HN 0.337 nan 8.240 nan 0.000 0.540 280 P HA -0.123 nan 4.420 nan 0.000 0.215 280 P C 1.709 179.058 177.300 0.081 0.000 1.153 280 P CA 1.103 64.218 63.100 0.026 0.000 0.853 280 P CB 0.015 31.706 31.700 -0.015 0.000 0.788 281 E N 0.337 120.574 120.200 0.062 0.000 2.072 281 E HA -0.206 4.145 4.350 0.001 0.000 0.191 281 E C 1.988 178.636 176.600 0.081 0.000 0.985 281 E CA 1.187 57.625 56.400 0.064 0.000 0.801 281 E CB -1.142 28.582 29.700 0.040 0.000 0.750 281 E HN 0.399 nan 8.360 nan 0.000 0.452 282 Q N 0.069 119.918 119.800 0.081 0.000 2.124 282 Q HA -0.174 4.166 4.340 0.001 0.000 0.202 282 Q C 2.032 178.087 176.000 0.092 0.000 0.977 282 Q CA 1.556 57.403 55.803 0.073 0.000 0.850 282 Q CB -0.432 28.348 28.738 0.069 0.000 0.901 282 Q HN 0.377 nan 8.270 nan 0.000 0.429 283 Y N 1.220 121.522 120.300 0.003 0.000 2.207 283 Y HA -0.328 4.222 4.550 0.001 0.000 0.287 283 Y C 2.410 178.310 175.900 0.001 0.000 1.156 283 Y CA 1.848 59.947 58.100 -0.002 0.000 1.182 283 Y CB 0.126 38.581 38.460 -0.008 0.000 0.979 283 Y HN 0.065 nan 8.280 nan 0.000 0.521 284 Q N 0.541 120.463 119.800 0.203 0.000 2.172 284 Q HA -0.092 4.249 4.340 0.001 0.000 0.200 284 Q C 1.999 178.010 176.000 0.018 0.000 0.964 284 Q CA 1.873 57.750 55.803 0.123 0.000 0.855 284 Q CB -0.370 28.441 28.738 0.121 0.000 0.918 284 Q HN 0.688 nan 8.270 nan 0.000 0.444 285 I N -0.297 120.280 120.570 0.013 0.000 2.226 285 I HA -0.248 3.923 4.170 0.001 0.000 0.245 285 I C 1.941 178.035 176.117 -0.039 0.000 1.100 285 I CA 0.613 61.907 61.300 -0.009 0.000 1.374 285 I CB -0.326 37.672 38.000 -0.002 0.000 1.057 285 I HN 0.262 nan 8.210 nan 0.000 0.413 286 L N 1.411 122.586 121.223 -0.081 0.000 2.017 286 L HA -0.224 4.117 4.340 0.001 0.000 0.208 286 L C 2.510 179.316 176.870 -0.106 0.000 1.073 286 L CA 1.938 56.710 54.840 -0.114 0.000 0.745 286 L CB -0.750 41.184 42.059 -0.207 0.000 0.894 286 L HN 0.122 nan 8.230 nan 0.000 0.432 287 K N -1.114 119.161 120.400 -0.208 0.000 2.209 287 K HA -0.171 4.149 4.320 0.001 0.000 0.204 287 K C 1.623 178.205 176.600 -0.029 0.000 1.048 287 K CA 1.305 57.501 56.287 -0.152 0.000 0.940 287 K CB 0.054 32.442 32.500 -0.186 0.000 0.729 287 K HN 0.317 nan 8.250 nan 0.000 0.451 288 E N 0.347 120.536 120.200 -0.017 0.000 2.318 288 E HA -0.030 4.321 4.350 0.001 0.000 0.193 288 E C 0.571 177.176 176.600 0.007 0.000 0.998 288 E CA 0.748 57.150 56.400 0.002 0.000 0.859 288 E CB 0.197 29.898 29.700 0.002 0.000 0.812 288 E HN 0.415 nan 8.360 nan 0.000 0.492 289 N N -1.213 117.496 118.700 0.016 0.000 2.181 289 N HA 0.015 4.756 4.740 0.001 0.000 0.207 289 N C -0.387 175.140 175.510 0.029 0.000 1.182 289 N CA -0.155 52.898 53.050 0.006 0.000 0.893 289 N CB 0.536 39.011 38.487 -0.020 0.000 1.032 289 N HN -0.001 nan 8.380 nan 0.000 0.513 290 Y N 0.869 121.135 120.300 -0.056 0.000 2.304 290 Y HA 0.433 4.984 4.550 0.001 0.000 0.327 290 Y C 1.453 177.351 175.900 -0.002 0.000 1.209 290 Y CA 0.362 58.443 58.100 -0.031 0.000 1.299 290 Y CB 0.916 39.379 38.460 0.006 0.000 1.249 290 Y HN 0.223 nan 8.280 nan 0.000 0.519 291 G N 3.583 112.099 108.800 -0.473 0.000 2.198 291 G HA2 -0.212 3.748 3.960 0.001 0.000 0.260 291 G HA3 -0.212 3.748 3.960 0.001 0.000 0.260 291 G C -0.461 174.362 174.900 -0.127 0.000 1.025 291 G CA 0.229 45.181 45.100 -0.247 0.000 0.769 291 G HN 0.583 nan 8.290 nan 0.000 0.507 292 Q N -1.093 118.624 119.800 -0.139 0.000 2.413 292 Q HA 0.450 4.790 4.340 0.001 0.000 0.276 292 Q C 1.078 177.022 176.000 -0.093 0.000 1.099 292 Q CA -0.478 55.275 55.803 -0.084 0.000 0.814 292 Q CB 1.450 30.153 28.738 -0.058 0.000 1.379 292 Q HN 0.432 nan 8.270 nan 0.000 0.436 293 K N -0.264 120.097 120.400 -0.065 0.000 2.366 293 K HA 0.044 4.364 4.320 0.001 0.000 0.198 293 K C -0.334 176.232 176.600 -0.058 0.000 1.044 293 K CA 0.582 56.833 56.287 -0.060 0.000 0.973 293 K CB 0.219 32.695 32.500 -0.041 0.000 0.767 293 K HN 0.387 nan 8.250 nan 0.000 0.475 294 E N 1.355 121.523 120.200 -0.053 0.000 2.415 294 E HA 0.027 4.378 4.350 0.001 0.000 0.260 294 E C 0.723 177.289 176.600 -0.057 0.000 1.016 294 E CA 0.229 56.600 56.400 -0.047 0.000 0.924 294 E CB 1.198 30.874 29.700 -0.039 0.000 0.961 294 E HN 0.354 nan 8.360 nan 0.000 0.459 295 A N 4.436 127.225 122.820 -0.051 0.000 1.972 295 A HA -0.280 4.041 4.320 0.001 0.000 0.219 295 A C 1.709 179.259 177.584 -0.057 0.000 1.169 295 A CA 1.837 53.839 52.037 -0.057 0.000 0.635 295 A CB -0.474 18.498 19.000 -0.047 0.000 0.810 295 A HN 0.754 nan 8.150 nan 0.000 0.446 296 E N 0.560 120.733 120.200 -0.046 0.000 2.085 296 E HA -0.215 4.135 4.350 0.001 0.000 0.194 296 E C 1.806 178.375 176.600 -0.051 0.000 0.994 296 E CA 1.583 57.958 56.400 -0.042 0.000 0.801 296 E CB -0.298 29.383 29.700 -0.032 0.000 0.743 296 E HN 0.624 nan 8.360 nan 0.000 0.453 297 K N 0.703 121.069 120.400 -0.055 0.000 2.167 297 K HA 0.015 4.336 4.320 0.001 0.000 0.203 297 K C 2.213 178.761 176.600 -0.087 0.000 1.052 297 K CA 0.846 57.097 56.287 -0.060 0.000 0.956 297 K CB 0.046 32.514 32.500 -0.053 0.000 0.735 297 K HN -0.026 nan 8.250 nan 0.000 0.451 298 V N 1.707 121.559 119.914 -0.103 0.000 2.295 298 V HA -0.266 3.854 4.120 0.001 0.000 0.246 298 V C 2.373 178.381 176.094 -0.143 0.000 1.049 298 V CA 2.127 64.344 62.300 -0.138 0.000 1.024 298 V CB -0.662 31.078 31.823 -0.137 0.000 0.648 298 V HN 0.350 nan 8.190 nan 0.000 0.447 299 A N 0.157 122.912 122.820 -0.109 0.000 1.940 299 A HA -0.293 4.028 4.320 0.001 0.000 0.219 299 A C 2.277 179.803 177.584 -0.096 0.000 1.176 299 A CA 2.271 54.250 52.037 -0.096 0.000 0.631 299 A CB -0.556 18.405 19.000 -0.065 0.000 0.814 299 A HN 0.472 nan 8.150 nan 0.000 0.446 300 R N -0.111 120.335 120.500 -0.089 0.000 2.081 300 R HA -0.087 4.254 4.340 0.001 0.000 0.235 300 R C 1.828 178.051 176.300 -0.129 0.000 1.131 300 R CA 2.092 58.143 56.100 -0.081 0.000 0.960 300 R CB -1.079 29.184 30.300 -0.061 0.000 0.856 300 R HN 0.267 nan 8.270 nan 0.000 0.436 301 V N 1.121 120.921 119.914 -0.189 0.000 2.343 301 V HA -0.226 3.894 4.120 0.001 0.000 0.247 301 V C 2.417 178.168 176.094 -0.572 0.000 1.051 301 V CA 2.196 64.284 62.300 -0.354 0.000 1.036 301 V CB -0.571 31.057 31.823 -0.324 0.000 0.654 301 V HN 0.422 nan 8.190 nan 0.000 0.451 302 K N 0.328 120.494 120.400 -0.391 0.000 2.097 302 K HA -0.161 4.160 4.320 0.001 0.000 0.206 302 K C 2.178 178.759 176.600 -0.032 0.000 1.049 302 K CA 1.473 57.608 56.287 -0.254 0.000 0.933 302 K CB -0.303 32.082 32.500 -0.192 0.000 0.717 302 K HN 0.422 nan 8.250 nan 0.000 0.442 303 A N 1.290 124.082 122.820 -0.047 0.000 1.902 303 A HA -0.151 4.169 4.320 0.001 0.000 0.217 303 A C 2.020 179.634 177.584 0.050 0.000 1.181 303 A CA 1.368 53.418 52.037 0.021 0.000 0.623 303 A CB -0.550 18.448 19.000 -0.005 0.000 0.818 303 A HN 0.408 nan 8.150 nan 0.000 0.443 304 L N -1.675 119.551 121.223 0.003 0.000 2.109 304 L HA -0.070 4.270 4.340 0.001 0.000 0.207 304 L C 2.186 179.182 176.870 0.209 0.000 1.086 304 L CA 1.688 56.564 54.840 0.060 0.000 0.760 304 L CB -0.809 41.255 42.059 0.008 0.000 0.910 304 L HN 0.424 nan 8.230 nan 0.000 0.437 305 Y N 0.760 121.117 120.300 0.096 0.000 2.181 305 Y HA -0.189 4.361 4.550 0.001 0.000 0.288 305 Y C 2.613 178.607 175.900 0.157 0.000 1.146 305 Y CA 1.486 59.677 58.100 0.152 0.000 1.164 305 Y CB -0.856 37.770 38.460 0.277 0.000 0.982 305 Y HN 0.413 nan 8.280 nan 0.000 0.515 306 E N -0.261 120.144 120.200 0.342 0.000 2.208 306 E HA -0.180 4.170 4.350 0.001 0.000 0.193 306 E C 2.026 178.696 176.600 0.116 0.000 0.988 306 E CA 0.745 57.262 56.400 0.194 0.000 0.828 306 E CB -0.071 29.745 29.700 0.193 0.000 0.763 306 E HN 0.521 nan 8.360 nan 0.000 0.478 307 E N 0.716 120.986 120.200 0.115 0.000 2.274 307 E HA -0.120 4.230 4.350 0.001 0.000 0.194 307 E C 1.359 178.000 176.600 0.070 0.000 0.996 307 E CA 0.491 56.937 56.400 0.077 0.000 0.840 307 E CB 0.220 29.960 29.700 0.067 0.000 0.772 307 E HN 0.241 nan 8.360 nan 0.000 0.491 308 L N 0.957 122.234 121.223 0.089 0.000 2.700 308 L HA 0.092 4.432 4.340 0.001 0.000 0.234 308 L C -0.314 176.582 176.870 0.043 0.000 1.156 308 L CA -0.149 54.728 54.840 0.060 0.000 0.946 308 L CB 0.282 42.379 42.059 0.062 0.000 1.216 308 L HN 0.003 nan 8.230 nan 0.000 0.493 309 D N -0.180 120.250 120.400 0.049 0.000 2.911 309 D HA -0.236 4.405 4.640 0.001 0.000 0.227 309 D C 1.354 177.671 176.300 0.029 0.000 1.164 309 D CA 0.612 54.629 54.000 0.028 0.000 0.782 309 D CB -1.161 39.653 40.800 0.023 0.000 1.094 309 D HN 0.351 nan 8.370 nan 0.000 0.425 310 L N -0.914 120.331 121.223 0.036 0.000 2.127 310 L HA -0.149 4.192 4.340 0.001 0.000 0.211 310 L C -0.403 176.536 176.870 0.116 0.000 1.089 310 L CA 1.589 56.460 54.840 0.051 0.000 0.757 310 L CB -1.500 40.568 42.059 0.014 0.000 0.899 310 L HN 0.149 nan 8.230 nan 0.000 0.434 311 P HA -0.150 nan 4.420 nan 0.000 0.216 311 P C 1.449 178.790 177.300 0.068 0.000 1.150 311 P CA 1.672 64.762 63.100 -0.016 0.000 0.837 311 P CB 0.054 31.587 31.700 -0.278 0.000 0.786 312 A N -0.837 122.006 122.820 0.039 0.000 1.970 312 A HA -0.072 4.249 4.320 0.001 0.000 0.216 312 A C 2.244 179.868 177.584 0.068 0.000 1.170 312 A CA 1.205 53.262 52.037 0.033 0.000 0.645 312 A CB -1.490 17.521 19.000 0.017 0.000 0.816 312 A HN 0.020 nan 8.150 nan 0.000 0.447 313 V N -1.031 118.958 119.914 0.124 0.000 2.427 313 V HA -0.204 3.917 4.120 0.001 0.000 0.248 313 V C 2.236 178.534 176.094 0.341 0.000 1.051 313 V CA 1.951 64.365 62.300 0.190 0.000 1.048 313 V CB -0.921 30.994 31.823 0.154 0.000 0.666 313 V HN 0.662 nan 8.190 nan 0.000 0.456 314 F N 0.677 120.761 119.950 0.223 0.000 2.146 314 F HA -0.125 4.402 4.527 0.001 0.000 0.298 314 F C 1.989 177.751 175.800 -0.064 0.000 1.096 314 F CA 1.559 59.600 58.000 0.068 0.000 1.275 314 F CB -0.338 38.525 39.000 -0.228 0.000 1.008 314 F HN 0.037 nan 8.300 nan 0.000 0.480 315 L N 0.005 121.053 121.223 -0.291 0.000 2.079 315 L HA -0.236 4.104 4.340 0.001 0.000 0.210 315 L C 2.541 179.247 176.870 -0.273 0.000 1.081 315 L CA 1.683 56.297 54.840 -0.377 0.000 0.752 315 L CB -0.852 41.108 42.059 -0.166 0.000 0.896 315 L HN 0.241 nan 8.230 nan 0.000 0.433 316 Q N -0.498 119.234 119.800 -0.114 0.000 2.083 316 Q HA -0.244 4.096 4.340 0.001 0.000 0.198 316 Q C 2.109 178.076 176.000 -0.054 0.000 0.969 316 Q CA 1.688 57.458 55.803 -0.055 0.000 0.838 316 Q CB -0.521 28.228 28.738 0.019 0.000 0.900 316 Q HN 0.511 nan 8.270 nan 0.000 0.436 317 Y N 0.911 121.155 120.300 -0.093 0.000 2.165 317 Y HA -0.233 4.317 4.550 0.001 0.000 0.286 317 Y C 2.111 177.927 175.900 -0.141 0.000 1.155 317 Y CA 2.276 60.342 58.100 -0.056 0.000 1.164 317 Y CB -0.136 38.343 38.460 0.032 0.000 0.978 317 Y HN 0.359 nan 8.280 nan 0.000 0.513 318 E N 0.044 120.035 120.200 -0.349 0.000 2.077 318 E HA -0.248 4.103 4.350 0.001 0.000 0.193 318 E C 1.941 178.383 176.600 -0.264 0.000 0.989 318 E CA 1.718 57.934 56.400 -0.306 0.000 0.800 318 E CB -0.127 29.280 29.700 -0.488 0.000 0.746 318 E HN 0.697 nan 8.360 nan 0.000 0.452 319 E N 0.264 120.342 120.200 -0.204 0.000 2.028 319 E HA -0.183 4.167 4.350 0.001 0.000 0.191 319 E C 1.937 178.480 176.600 -0.096 0.000 0.988 319 E CA 1.309 57.660 56.400 -0.080 0.000 0.799 319 E CB -0.040 29.617 29.700 -0.072 0.000 0.755 319 E HN 0.290 nan 8.360 nan 0.000 0.447 320 D N 0.149 120.450 120.400 -0.166 0.000 2.149 320 D HA -0.150 4.491 4.640 0.001 0.000 0.198 320 D C 2.004 178.169 176.300 -0.226 0.000 0.990 320 D CA 1.007 54.908 54.000 -0.165 0.000 0.839 320 D CB -0.400 40.306 40.800 -0.157 0.000 0.948 320 D HN -0.017 nan 8.370 nan 0.000 0.460 321 S N -0.838 114.606 115.700 -0.427 0.000 2.355 321 S HA -0.207 4.263 4.470 0.001 0.000 0.222 321 S C 2.038 176.469 174.600 -0.282 0.000 1.031 321 S CA 0.762 58.705 58.200 -0.429 0.000 0.993 321 S CB -0.506 62.270 63.200 -0.707 0.000 0.859 321 S HN 0.329 nan 8.310 nan 0.000 0.453 322 Y N 2.094 122.127 120.300 -0.445 0.000 2.151 322 Y HA -0.134 4.416 4.550 0.001 0.000 0.284 322 Y C 2.572 178.297 175.900 -0.292 0.000 1.166 322 Y CA 2.059 59.908 58.100 -0.419 0.000 1.163 322 Y CB -0.821 37.411 38.460 -0.380 0.000 0.974 322 Y HN 0.277 nan 8.280 nan 0.000 0.511 323 S N -1.012 114.588 115.700 -0.166 0.000 2.382 323 S HA -0.257 4.213 4.470 0.001 0.000 0.228 323 S C 1.752 176.232 174.600 -0.200 0.000 1.027 323 S CA 1.517 59.600 58.200 -0.196 0.000 0.991 323 S CB -0.607 62.552 63.200 -0.069 0.000 0.823 323 S HN 0.719 nan 8.310 nan 0.000 0.469 324 H N 1.515 120.443 119.070 -0.237 0.000 2.357 324 H HA 0.065 4.622 4.556 0.001 0.000 0.301 324 H C 1.874 177.070 175.328 -0.220 0.000 1.082 324 H CA 1.392 57.324 56.048 -0.193 0.000 1.342 324 H CB -0.282 29.389 29.762 -0.153 0.000 1.389 324 H HN 0.217 nan 8.280 nan 0.000 0.511 325 I N 0.014 120.379 120.570 -0.341 0.000 2.163 325 I HA -0.269 3.902 4.170 0.001 0.000 0.243 325 I C 2.082 177.945 176.117 -0.423 0.000 1.085 325 I CA 1.117 62.183 61.300 -0.390 0.000 1.347 325 I CB -0.914 36.866 38.000 -0.366 0.000 1.044 325 I HN 0.370 nan 8.210 nan 0.000 0.408 326 M N 0.650 119.947 119.600 -0.505 0.000 2.108 326 M HA -0.151 4.330 4.480 0.001 0.000 0.261 326 M C 2.554 178.663 176.300 -0.318 0.000 1.066 326 M CA 1.916 56.951 55.300 -0.442 0.000 1.107 326 M CB -1.575 30.712 32.600 -0.522 0.000 1.356 326 M HN 0.272 nan 8.290 nan 0.000 0.406 327 A N 0.108 122.744 122.820 -0.306 0.000 1.883 327 A HA -0.152 4.168 4.320 0.001 0.000 0.217 327 A C 2.184 179.610 177.584 -0.264 0.000 1.186 327 A CA 1.415 53.303 52.037 -0.248 0.000 0.624 327 A CB -0.818 18.055 19.000 -0.211 0.000 0.822 327 A HN 0.372 nan 8.150 nan 0.000 0.444 328 L N -0.257 120.769 121.223 -0.328 0.000 2.083 328 L HA -0.098 4.242 4.340 0.001 0.000 0.209 328 L C 2.353 179.118 176.870 -0.174 0.000 1.083 328 L CA 1.336 56.049 54.840 -0.212 0.000 0.752 328 L CB -0.615 41.282 42.059 -0.271 0.000 0.899 328 L HN 0.409 nan 8.230 nan 0.000 0.433 329 I N -1.030 119.382 120.570 -0.263 0.000 2.252 329 I HA -0.284 3.886 4.170 0.001 0.000 0.245 329 I C 2.345 178.346 176.117 -0.195 0.000 1.102 329 I CA 1.058 62.191 61.300 -0.277 0.000 1.385 329 I CB -0.245 37.617 38.000 -0.230 0.000 1.064 329 I HN 0.327 nan 8.210 nan 0.000 0.414 330 E N 0.271 120.360 120.200 -0.184 0.000 2.118 330 E HA -0.323 4.027 4.350 0.001 0.000 0.195 330 E C 2.141 178.630 176.600 -0.186 0.000 0.992 330 E CA 1.429 57.734 56.400 -0.158 0.000 0.804 330 E CB -0.080 29.529 29.700 -0.153 0.000 0.741 330 E HN 0.507 nan 8.360 nan 0.000 0.458 331 Q N -0.638 119.010 119.800 -0.254 0.000 2.096 331 Q HA -0.129 4.211 4.340 0.001 0.000 0.197 331 Q C 0.949 176.683 176.000 -0.443 0.000 0.964 331 Q CA 1.249 56.803 55.803 -0.415 0.000 0.838 331 Q CB 0.197 28.552 28.738 -0.640 0.000 0.906 331 Q HN 0.372 nan 8.270 nan 0.000 0.444 332 Y N -1.670 118.513 120.300 -0.195 0.000 2.453 332 Y HA 0.399 4.949 4.550 0.001 0.000 0.247 332 Y C 1.840 177.619 175.900 -0.202 0.000 1.124 332 Y CA 0.003 57.988 58.100 -0.192 0.000 1.243 332 Y CB 0.504 38.824 38.460 -0.232 0.000 1.213 332 Y HN 0.208 nan 8.280 nan 0.000 0.523 333 A N 1.340 124.105 122.820 -0.091 0.000 1.908 333 A HA 0.016 4.336 4.320 0.001 0.000 0.218 333 A C 1.664 179.301 177.584 0.088 0.000 1.181 333 A CA 1.008 53.035 52.037 -0.017 0.000 0.627 333 A CB -1.044 17.976 19.000 0.034 0.000 0.818 333 A HN 0.269 nan 8.150 nan 0.000 0.445 334 A N 0.300 123.137 122.820 0.030 0.000 2.531 334 A HA 0.393 4.713 4.320 0.001 0.000 0.236 334 A C -0.908 176.700 177.584 0.039 0.000 1.062 334 A CA -0.209 51.845 52.037 0.027 0.000 0.760 334 A CB -0.100 18.897 19.000 -0.005 0.000 0.995 334 A HN 0.360 nan 8.150 nan 0.000 0.501 335 P HA 0.175 nan 4.420 nan 0.000 0.257 335 P C -0.365 176.950 177.300 0.024 0.000 1.325 335 P CA -0.092 63.020 63.100 0.020 0.000 0.850 335 P CB -0.069 31.637 31.700 0.010 0.000 1.324 336 L N 1.590 122.846 121.223 0.055 0.000 2.436 336 L HA 0.307 4.648 4.340 0.001 0.000 0.265 336 L C -1.968 174.935 176.870 0.055 0.000 1.168 336 L CA -1.761 53.108 54.840 0.048 0.000 0.815 336 L CB -0.746 41.366 42.059 0.088 0.000 1.109 336 L HN -0.169 nan 8.230 nan 0.000 0.462 337 P HA 0.040 nan 4.420 nan 0.000 0.263 337 P C -2.097 175.231 177.300 0.046 0.000 1.195 337 P CA -0.767 62.333 63.100 -0.000 0.000 0.762 337 P CB 0.143 31.816 31.700 -0.045 0.000 0.799 338 P HA -0.173 nan 4.420 nan 0.000 0.218 338 P C 1.266 178.629 177.300 0.105 0.000 1.149 338 P CA 1.387 64.572 63.100 0.141 0.000 0.817 338 P CB -0.219 31.521 31.700 0.066 0.000 0.785 339 A N -0.383 122.457 122.820 0.033 0.000 1.986 339 A HA -0.202 4.118 4.320 0.001 0.000 0.220 339 A C 2.290 179.864 177.584 -0.017 0.000 1.171 339 A CA 1.764 53.809 52.037 0.014 0.000 0.640 339 A CB -1.806 17.190 19.000 -0.006 0.000 0.811 339 A HN 0.039 nan 8.150 nan 0.000 0.451 340 V N -1.283 118.567 119.914 -0.107 0.000 2.250 340 V HA -0.324 3.796 4.120 0.001 0.000 0.250 340 V C 2.302 178.215 176.094 -0.302 0.000 1.060 340 V CA 2.572 64.695 62.300 -0.295 0.000 1.030 340 V CB -0.941 30.530 31.823 -0.587 0.000 0.643 340 V HN 0.632 nan 8.190 nan 0.000 0.445 341 F N -1.120 118.834 119.950 0.007 0.000 2.270 341 F HA 0.101 4.628 4.527 0.001 0.000 0.295 341 F C 2.107 177.910 175.800 0.006 0.000 1.087 341 F CA 0.689 58.694 58.000 0.008 0.000 1.365 341 F CB -0.568 38.416 39.000 -0.027 0.000 1.056 341 F HN -0.001 nan 8.300 nan 0.000 0.506 342 L N -0.064 121.257 121.223 0.163 0.000 2.042 342 L HA -0.165 4.175 4.340 0.001 0.000 0.210 342 L C 2.734 179.659 176.870 0.093 0.000 1.076 342 L CA 1.510 56.401 54.840 0.085 0.000 0.749 342 L CB -1.378 40.712 42.059 0.053 0.000 0.893 342 L HN 0.303 nan 8.230 nan 0.000 0.432 343 G N 0.132 109.001 108.800 0.115 0.000 2.421 343 G HA2 -0.290 3.670 3.960 0.001 0.000 0.216 343 G HA3 -0.290 3.670 3.960 0.001 0.000 0.216 343 G C 1.542 176.526 174.900 0.140 0.000 1.171 343 G CA 0.756 45.969 45.100 0.188 0.000 0.775 343 G HN 0.216 nan 8.290 nan 0.000 0.543 344 L N 1.535 122.850 121.223 0.152 0.000 2.017 344 L HA 0.138 4.479 4.340 0.001 0.000 0.208 344 L C 3.061 179.967 176.870 0.060 0.000 1.073 344 L CA 2.187 57.049 54.840 0.035 0.000 0.745 344 L CB -0.925 41.230 42.059 0.159 0.000 0.894 344 L HN 0.249 nan 8.230 nan 0.000 0.432 345 A N -0.198 122.692 122.820 0.117 0.000 1.908 345 A HA -0.280 4.040 4.320 0.001 0.000 0.218 345 A C 2.555 180.228 177.584 0.149 0.000 1.181 345 A CA 1.906 54.022 52.037 0.130 0.000 0.627 345 A CB -0.743 18.294 19.000 0.061 0.000 0.818 345 A HN 0.558 nan 8.150 nan 0.000 0.445 346 R N -0.763 119.794 120.500 0.095 0.000 2.120 346 R HA -0.168 4.172 4.340 0.001 0.000 0.234 346 R C 1.880 178.223 176.300 0.071 0.000 1.123 346 R CA 1.843 57.994 56.100 0.084 0.000 0.975 346 R CB -0.154 30.180 30.300 0.056 0.000 0.866 346 R HN 0.287 nan 8.270 nan 0.000 0.446 347 K N 1.005 121.387 120.400 -0.029 0.000 2.217 347 K HA -0.030 4.290 4.320 0.001 0.000 0.202 347 K C 1.669 178.313 176.600 0.073 0.000 1.051 347 K CA 1.153 57.379 56.287 -0.102 0.000 0.952 347 K CB 0.036 32.254 32.500 -0.471 0.000 0.736 347 K HN 0.537 nan 8.250 nan 0.000 0.453 348 I N -2.945 117.754 120.570 0.215 0.000 4.025 348 I HA 0.230 4.400 4.170 0.001 0.000 0.336 348 I C -0.322 176.068 176.117 0.456 0.000 1.390 348 I CA -0.760 60.776 61.300 0.393 0.000 1.099 348 I CB 0.012 38.394 38.000 0.636 0.000 1.049 348 I HN -0.202 nan 8.210 nan 0.000 0.394 349 Y N 4.523 124.923 120.300 0.166 0.000 2.584 349 Y HA 0.292 4.842 4.550 0.001 0.000 0.351 349 Y C 0.847 176.778 175.900 0.052 0.000 1.030 349 Y CA -0.158 57.977 58.100 0.059 0.000 1.332 349 Y CB -0.459 37.924 38.460 -0.129 0.000 1.148 349 Y HN 0.370 nan 8.280 nan 0.000 0.528 350 K N 0.000 120.299 120.400 -0.169 0.000 2.780 350 K HA 0.000 4.320 4.320 0.001 0.000 0.191 350 K CA 0.000 56.163 56.287 -0.207 0.000 0.838 350 K CB 0.000 32.228 32.500 -0.453 0.000 1.064 350 K HN 0.000 nan 8.250 nan 0.000 0.543