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 1otp_1_A DATA FIRST_RESID 1 DATA SEQUENCE LFLAQEIIRK KRDGHALSDE EIRFFINGIR DNTISEGQIA ALAMTIFFHD DATA SEQUENCE MTMPERVSLT MAMRDSGTVL DWKSLHLNGP IVDKHSTGGV GDVTSLMLGP DATA SEQUENCE MVAACGGYIP MISGRGLGHT GGTLDKLESI PGFDIFPDDN RFREIIKDVG DATA SEQUENCE VAIIGQTSSL APADKRFYAT RDITATVDSI PLITASILAK KLAEGLDALV DATA SEQUENCE MDVKVGSGAF MPTYELSEAL AEAIVGVANG AGVRTTALLT DMNQVLASSA DATA SEQUENCE GNAVEVREAV QFLTGEYRNP RLFDVTMALC VEMLISGKLA KDDAEARAKL DATA SEQUENCE QAVLDNGKAA EVFGRMVAAQ KGPTDFVENY AKYLPTAMLT KAVYADTEGF DATA SEQUENCE VSEMDTRALG MAVVAMGGGR RQASDTIDYS VGFTDMARLG DQVDGQRPLA DATA SEQUENCE VIHAKDENNW QEAAKAVKAA IKLADKAPES TPTVYRRISE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.056 176.870 -1.357 0.000 1.165 1 L CA 0.000 54.247 54.840 -0.989 0.000 0.813 1 L CB 0.000 41.770 42.059 -0.482 0.000 0.961 2 F N 2.342 121.939 119.950 -0.589 0.000 2.452 2 F HA 0.798 5.325 4.527 0.000 0.000 0.353 2 F C 0.044 175.665 175.800 -0.298 0.000 1.089 2 F CA -1.194 56.390 58.000 -0.692 0.000 1.080 2 F CB 0.130 38.932 39.000 -0.329 0.000 1.399 2 F HN 0.346 nan 8.300 nan 0.000 0.492 3 L N 0.209 121.524 121.223 0.153 0.000 3.291 3 L HA -0.209 4.131 4.340 0.001 0.000 0.659 3 L C 0.949 177.965 176.870 0.244 0.000 1.042 3 L CA 0.346 55.298 54.840 0.187 0.000 1.256 3 L CB -1.463 40.676 42.059 0.135 0.000 1.596 3 L HN 0.873 nan 8.230 nan 0.000 0.819 4 A N 2.604 125.612 122.820 0.313 0.000 2.125 4 A HA -0.170 4.150 4.320 0.001 0.000 0.219 4 A C 2.044 179.800 177.584 0.287 0.000 1.156 4 A CA 1.659 53.881 52.037 0.308 0.000 0.671 4 A CB -0.228 18.732 19.000 -0.067 0.000 0.794 4 A HN 0.859 nan 8.150 nan 0.000 0.459 5 Q N -0.488 119.420 119.800 0.180 0.000 2.389 5 Q HA -0.014 4.327 4.340 0.001 0.000 0.204 5 Q C 0.898 176.970 176.000 0.119 0.000 0.944 5 Q CA 1.132 57.019 55.803 0.140 0.000 0.908 5 Q CB -0.215 28.577 28.738 0.091 0.000 1.002 5 Q HN 0.750 nan 8.270 nan 0.000 0.493 6 E N 0.579 120.851 120.200 0.120 0.000 2.340 6 E HA 0.148 4.499 4.350 0.001 0.000 0.194 6 E C 2.050 178.697 176.600 0.079 0.000 0.996 6 E CA -0.005 56.442 56.400 0.078 0.000 0.869 6 E CB 0.269 30.007 29.700 0.064 0.000 0.835 6 E HN 0.347 nan 8.360 nan 0.000 0.493 7 I N 1.162 121.819 120.570 0.145 0.000 2.315 7 I HA -0.228 3.942 4.170 0.001 0.000 0.248 7 I C 2.328 178.503 176.117 0.096 0.000 1.117 7 I CA 0.921 62.309 61.300 0.147 0.000 1.404 7 I CB -0.072 38.116 38.000 0.314 0.000 1.071 7 I HN 0.069 nan 8.210 nan 0.000 0.419 8 I N 0.310 120.959 120.570 0.131 0.000 2.142 8 I HA -0.318 3.852 4.170 0.001 0.000 0.240 8 I C 2.786 178.934 176.117 0.051 0.000 1.078 8 I CA 1.266 62.617 61.300 0.087 0.000 1.343 8 I CB -0.436 37.639 38.000 0.126 0.000 1.046 8 I HN 0.178 nan 8.210 nan 0.000 0.405 9 R N 1.383 121.906 120.500 0.038 0.000 2.096 9 R HA -0.268 4.072 4.340 0.001 0.000 0.240 9 R C 2.338 178.597 176.300 -0.068 0.000 1.139 9 R CA 2.019 58.115 56.100 -0.007 0.000 0.952 9 R CB -0.202 30.090 30.300 -0.014 0.000 0.854 9 R HN 0.237 nan 8.270 nan 0.000 0.436 10 K N 0.449 120.804 120.400 -0.075 0.000 2.001 10 K HA -0.247 4.073 4.320 0.001 0.000 0.214 10 K C 2.136 178.681 176.600 -0.091 0.000 1.050 10 K CA 2.104 58.304 56.287 -0.146 0.000 0.934 10 K CB -0.130 32.340 32.500 -0.051 0.000 0.718 10 K HN -0.077 nan 8.250 nan 0.000 0.443 11 K N 1.112 121.512 120.400 0.000 0.000 2.057 11 K HA -0.123 4.197 4.320 0.001 0.000 0.207 11 K C 2.095 178.766 176.600 0.118 0.000 1.049 11 K CA 1.400 57.717 56.287 0.051 0.000 0.931 11 K CB -0.228 32.309 32.500 0.062 0.000 0.714 11 K HN 0.113 nan 8.250 nan 0.000 0.440 12 R N 0.349 120.922 120.500 0.122 0.000 2.105 12 R HA -0.137 4.203 4.340 0.001 0.000 0.239 12 R C 0.470 176.897 176.300 0.212 0.000 1.135 12 R CA 1.929 58.147 56.100 0.195 0.000 0.967 12 R CB -0.254 30.102 30.300 0.093 0.000 0.861 12 R HN 0.188 nan 8.270 nan 0.000 0.442 13 D N -0.923 119.501 120.400 0.039 0.000 2.336 13 D HA 0.083 4.723 4.640 0.001 0.000 0.229 13 D C 0.881 177.222 176.300 0.068 0.000 1.061 13 D CA 1.005 55.023 54.000 0.030 0.000 0.875 13 D CB 0.434 41.132 40.800 -0.171 0.000 0.904 13 D HN 0.567 nan 8.370 nan 0.000 0.525 14 G N 0.427 109.062 108.800 -0.276 0.000 2.176 14 G HA2 -0.255 3.705 3.960 0.001 0.000 0.253 14 G HA3 -0.255 3.705 3.960 0.001 0.000 0.253 14 G C 0.338 175.136 174.900 -0.171 0.000 0.979 14 G CA -0.061 44.622 45.100 -0.695 0.000 0.641 14 G HN 0.489 nan 8.290 nan 0.000 0.530 15 H N 0.316 119.267 119.070 -0.198 0.000 2.544 15 H HA 0.598 5.154 4.556 0.000 0.000 0.365 15 H C 0.676 175.956 175.328 -0.080 0.000 1.268 15 H CA -0.155 55.829 56.048 -0.106 0.000 1.400 15 H CB 1.302 31.028 29.762 -0.059 0.000 1.538 15 H HN 0.488 nan 8.280 nan 0.000 0.597 16 A N 1.556 124.421 122.820 0.076 0.000 2.320 16 A HA 0.487 4.808 4.320 0.001 0.000 0.334 16 A C -0.387 177.223 177.584 0.044 0.000 1.147 16 A CA -0.722 51.337 52.037 0.037 0.000 0.820 16 A CB 0.666 19.672 19.000 0.010 0.000 1.218 16 A HN 0.510 nan 8.150 nan 0.000 0.482 17 L N 1.857 123.099 121.223 0.032 0.000 2.334 17 L HA 0.419 4.760 4.340 0.001 0.000 0.277 17 L C 0.908 177.793 176.870 0.025 0.000 1.075 17 L CA -0.518 54.339 54.840 0.029 0.000 0.804 17 L CB 1.616 43.690 42.059 0.025 0.000 1.174 17 L HN 0.898 nan 8.230 nan 0.000 0.438 18 S N -0.395 115.317 115.700 0.020 0.000 2.645 18 S HA 0.092 4.562 4.470 0.001 0.000 0.266 18 S C 0.519 175.134 174.600 0.025 0.000 1.258 18 S CA -0.634 57.575 58.200 0.014 0.000 0.990 18 S CB 1.750 64.949 63.200 -0.002 0.000 0.967 18 S HN 0.725 nan 8.310 nan 0.000 0.556 19 D N 0.843 121.257 120.400 0.024 0.000 2.108 19 D HA -0.232 4.408 4.640 0.001 0.000 0.190 19 D C 1.810 178.139 176.300 0.047 0.000 0.995 19 D CA 2.034 56.056 54.000 0.036 0.000 0.834 19 D CB -0.303 40.514 40.800 0.029 0.000 0.967 19 D HN 0.783 nan 8.370 nan 0.000 0.446 20 E N 0.708 120.923 120.200 0.026 0.000 2.169 20 E HA -0.268 4.082 4.350 0.001 0.000 0.202 20 E C 1.828 178.462 176.600 0.058 0.000 1.016 20 E CA 1.825 58.238 56.400 0.021 0.000 0.817 20 E CB -0.311 29.365 29.700 -0.039 0.000 0.736 20 E HN 0.540 nan 8.360 nan 0.000 0.462 21 E N -0.369 119.859 120.200 0.047 0.000 2.072 21 E HA -0.105 4.245 4.350 0.001 0.000 0.191 21 E C 2.313 179.051 176.600 0.230 0.000 0.985 21 E CA 1.308 57.775 56.400 0.112 0.000 0.801 21 E CB -0.166 29.570 29.700 0.059 0.000 0.750 21 E HN 0.403 nan 8.360 nan 0.000 0.452 22 I N 0.890 121.549 120.570 0.149 0.000 2.286 22 I HA -0.202 3.968 4.170 0.001 0.000 0.245 22 I C 2.342 178.560 176.117 0.168 0.000 1.104 22 I CA 0.597 61.983 61.300 0.142 0.000 1.397 22 I CB -0.161 37.891 38.000 0.087 0.000 1.072 22 I HN 0.011 nan 8.210 nan 0.000 0.417 23 R N 0.704 121.291 120.500 0.146 0.000 2.073 23 R HA -0.186 4.154 4.340 0.001 0.000 0.234 23 R C 2.243 178.630 176.300 0.144 0.000 1.134 23 R CA 1.558 57.733 56.100 0.125 0.000 0.952 23 R CB -1.366 28.997 30.300 0.104 0.000 0.850 23 R HN 0.350 nan 8.270 nan 0.000 0.433 24 F N 0.695 120.677 119.950 0.052 0.000 2.134 24 F HA -0.177 4.351 4.527 0.001 0.000 0.299 24 F C 2.125 177.956 175.800 0.052 0.000 1.097 24 F CA 1.093 59.114 58.000 0.036 0.000 1.264 24 F CB -0.431 38.574 39.000 0.008 0.000 1.001 24 F HN -0.077 nan 8.300 nan 0.000 0.479 25 F N 0.190 120.047 119.950 -0.156 0.000 2.146 25 F HA -0.095 4.432 4.527 0.000 0.000 0.298 25 F C 2.021 177.651 175.800 -0.283 0.000 1.096 25 F CA 1.273 59.102 58.000 -0.285 0.000 1.275 25 F CB -0.577 38.384 39.000 -0.065 0.000 1.008 25 F HN -0.032 nan 8.300 nan 0.000 0.480 26 I N 0.770 121.408 120.570 0.114 0.000 2.226 26 I HA -0.304 3.866 4.170 0.001 0.000 0.245 26 I C 2.013 178.092 176.117 -0.064 0.000 1.100 26 I CA 1.250 62.572 61.300 0.037 0.000 1.374 26 I CB -0.837 37.218 38.000 0.091 0.000 1.057 26 I HN 0.101 nan 8.210 nan 0.000 0.413 27 N N 0.493 119.134 118.700 -0.097 0.000 2.188 27 N HA -0.096 4.645 4.740 0.001 0.000 0.184 27 N C 1.983 177.364 175.510 -0.215 0.000 1.018 27 N CA 1.404 54.383 53.050 -0.118 0.000 0.858 27 N CB -0.876 37.562 38.487 -0.082 0.000 0.989 27 N HN 0.441 nan 8.380 nan 0.000 0.426 28 G N 1.119 109.678 108.800 -0.402 0.000 2.450 28 G HA2 -0.167 3.793 3.960 0.001 0.000 0.220 28 G HA3 -0.167 3.793 3.960 0.001 0.000 0.220 28 G C 1.605 176.300 174.900 -0.342 0.000 1.130 28 G CA 0.355 45.169 45.100 -0.476 0.000 0.760 28 G HN 0.282 nan 8.290 nan 0.000 0.557 29 I N -0.248 120.144 120.570 -0.297 0.000 2.252 29 I HA -0.112 4.058 4.170 0.001 0.000 0.245 29 I C 2.858 178.907 176.117 -0.114 0.000 1.102 29 I CA 0.872 62.052 61.300 -0.200 0.000 1.385 29 I CB -0.267 37.630 38.000 -0.173 0.000 1.064 29 I HN 0.102 nan 8.210 nan 0.000 0.414 30 R N 1.314 121.759 120.500 -0.091 0.000 2.070 30 R HA -0.192 4.148 4.340 0.001 0.000 0.232 30 R C 1.309 177.575 176.300 -0.058 0.000 1.138 30 R CA 2.134 58.205 56.100 -0.049 0.000 0.936 30 R CB -0.316 29.964 30.300 -0.033 0.000 0.839 30 R HN 0.268 nan 8.270 nan 0.000 0.429 31 D N 0.686 121.037 120.400 -0.082 0.000 2.378 31 D HA -0.024 4.617 4.640 0.001 0.000 0.227 31 D C 0.082 176.336 176.300 -0.076 0.000 1.012 31 D CA 0.322 54.279 54.000 -0.071 0.000 0.905 31 D CB -0.261 40.495 40.800 -0.075 0.000 0.895 31 D HN 0.317 nan 8.370 nan 0.000 0.532 32 N N -0.481 118.164 118.700 -0.091 0.000 2.741 32 N HA -0.187 4.554 4.740 0.001 0.000 0.251 32 N C 0.819 176.268 175.510 -0.103 0.000 1.112 32 N CA 1.238 54.236 53.050 -0.086 0.000 0.750 32 N CB -1.478 36.976 38.487 -0.054 0.000 1.119 32 N HN 0.427 nan 8.380 nan 0.000 0.561 33 T N -2.387 112.082 114.554 -0.142 0.000 3.129 33 T HA 0.332 4.682 4.350 0.001 0.000 0.251 33 T C 0.738 175.318 174.700 -0.200 0.000 1.117 33 T CA 0.171 62.185 62.100 -0.144 0.000 1.034 33 T CB 0.404 69.188 68.868 -0.140 0.000 0.968 33 T HN 0.270 nan 8.240 nan 0.000 0.526 34 I N 2.770 123.186 120.570 -0.257 0.000 2.436 34 I HA 0.340 4.511 4.170 0.001 0.000 0.289 34 I C 0.234 176.233 176.117 -0.197 0.000 1.010 34 I CA -1.067 60.041 61.300 -0.320 0.000 1.098 34 I CB 2.211 39.843 38.000 -0.614 0.000 1.266 34 I HN 0.243 nan 8.210 nan 0.000 0.434 35 S N 3.811 119.433 115.700 -0.130 0.000 2.593 35 S HA 0.095 4.565 4.470 0.001 0.000 0.269 35 S C 1.047 175.625 174.600 -0.037 0.000 1.334 35 S CA -0.391 57.769 58.200 -0.066 0.000 1.015 35 S CB 1.500 64.679 63.200 -0.036 0.000 0.912 35 S HN 0.807 nan 8.310 nan 0.000 0.541 36 E N 1.771 121.964 120.200 -0.012 0.000 2.118 36 E HA -0.151 4.199 4.350 0.001 0.000 0.195 36 E C 1.963 178.585 176.600 0.036 0.000 0.992 36 E CA 1.359 57.768 56.400 0.015 0.000 0.804 36 E CB -0.997 28.713 29.700 0.017 0.000 0.741 36 E HN 0.909 nan 8.360 nan 0.000 0.458 37 G N 0.384 109.202 108.800 0.030 0.000 2.422 37 G HA2 -0.280 3.680 3.960 0.001 0.000 0.218 37 G HA3 -0.280 3.680 3.960 0.001 0.000 0.218 37 G C 1.429 176.372 174.900 0.072 0.000 1.146 37 G CA 0.704 45.830 45.100 0.044 0.000 0.769 37 G HN 0.307 nan 8.290 nan 0.000 0.547 38 Q N -0.355 119.488 119.800 0.073 0.000 2.230 38 Q HA 0.090 4.430 4.340 0.001 0.000 0.202 38 Q C 2.504 178.668 176.000 0.273 0.000 0.963 38 Q CA 0.539 56.428 55.803 0.144 0.000 0.866 38 Q CB -0.061 28.716 28.738 0.064 0.000 0.931 38 Q HN 0.540 nan 8.270 nan 0.000 0.452 39 I N 0.401 121.079 120.570 0.179 0.000 2.235 39 I HA -0.183 3.987 4.170 0.001 0.000 0.241 39 I C 2.401 178.625 176.117 0.178 0.000 1.085 39 I CA 0.835 62.249 61.300 0.190 0.000 1.378 39 I CB -0.387 37.657 38.000 0.073 0.000 1.076 39 I HN 0.100 nan 8.210 nan 0.000 0.415 40 A N 0.844 123.748 122.820 0.140 0.000 1.972 40 A HA -0.131 4.189 4.320 0.001 0.000 0.219 40 A C 2.495 180.148 177.584 0.114 0.000 1.169 40 A CA 1.818 53.927 52.037 0.120 0.000 0.635 40 A CB -0.691 18.354 19.000 0.075 0.000 0.810 40 A HN 0.445 nan 8.150 nan 0.000 0.446 41 A N -0.476 122.414 122.820 0.117 0.000 1.873 41 A HA 0.027 4.348 4.320 0.001 0.000 0.215 41 A C 2.107 179.757 177.584 0.110 0.000 1.186 41 A CA 1.600 53.703 52.037 0.110 0.000 0.616 41 A CB -0.623 18.442 19.000 0.109 0.000 0.823 41 A HN 0.665 nan 8.150 nan 0.000 0.442 42 L N -0.130 121.146 121.223 0.089 0.000 2.046 42 L HA -0.058 4.282 4.340 0.001 0.000 0.208 42 L C 2.647 179.557 176.870 0.067 0.000 1.077 42 L CA 2.147 56.978 54.840 -0.015 0.000 0.747 42 L CB -0.739 41.113 42.059 -0.345 0.000 0.896 42 L HN 0.347 nan 8.230 nan 0.000 0.432 43 A N -0.938 121.969 122.820 0.145 0.000 1.902 43 A HA -0.265 4.056 4.320 0.001 0.000 0.217 43 A C 2.307 179.990 177.584 0.164 0.000 1.181 43 A CA 2.197 54.353 52.037 0.199 0.000 0.623 43 A CB -0.705 18.444 19.000 0.248 0.000 0.818 43 A HN 0.514 nan 8.150 nan 0.000 0.443 44 M N -0.155 119.537 119.600 0.153 0.000 2.296 44 M HA -0.055 4.425 4.480 0.001 0.000 0.265 44 M C 1.886 178.394 176.300 0.347 0.000 1.064 44 M CA 2.110 57.525 55.300 0.191 0.000 1.109 44 M CB -0.938 31.770 32.600 0.181 0.000 1.396 44 M HN 0.357 nan 8.290 nan 0.000 0.430 45 T N 0.236 114.948 114.554 0.263 0.000 2.812 45 T HA 0.031 4.381 4.350 0.001 0.000 0.264 45 T C 1.785 176.637 174.700 0.254 0.000 1.042 45 T CA 1.459 63.721 62.100 0.269 0.000 1.140 45 T CB -0.242 68.742 68.868 0.193 0.000 0.870 45 T HN 0.390 nan 8.240 nan 0.000 0.445 46 I N 0.374 121.058 120.570 0.189 0.000 2.493 46 I HA -0.072 4.098 4.170 0.001 0.000 0.254 46 I C 2.002 178.173 176.117 0.090 0.000 1.160 46 I CA 0.977 62.359 61.300 0.137 0.000 1.445 46 I CB -0.294 37.768 38.000 0.103 0.000 1.086 46 I HN 0.177 nan 8.210 nan 0.000 0.433 47 F N 1.313 121.234 119.950 -0.050 0.000 2.113 47 F HA -0.194 4.333 4.527 0.000 0.000 0.297 47 F C 2.017 177.646 175.800 -0.285 0.000 1.103 47 F CA 1.619 59.493 58.000 -0.210 0.000 1.248 47 F CB -0.252 38.538 39.000 -0.351 0.000 0.999 47 F HN -0.137 nan 8.300 nan 0.000 0.475 48 F N -0.200 119.821 119.950 0.118 0.000 2.053 48 F HA -0.157 4.371 4.527 0.001 0.000 0.292 48 F C 2.753 178.452 175.800 -0.168 0.000 1.125 48 F CA 1.809 59.769 58.000 -0.067 0.000 1.193 48 F CB -1.143 37.756 39.000 -0.170 0.000 0.996 48 F HN -0.026 nan 8.300 nan 0.000 0.470 49 H N -0.298 118.894 119.070 0.203 0.000 2.502 49 H HA 0.041 4.598 4.556 0.001 0.000 0.283 49 H C 0.488 175.831 175.328 0.024 0.000 1.015 49 H CA 1.097 57.205 56.048 0.099 0.000 1.298 49 H CB -0.649 29.175 29.762 0.103 0.000 1.411 49 H HN 0.270 nan 8.280 nan 0.000 0.556 50 D N -1.017 119.434 120.400 0.085 0.000 5.703 50 D HA -0.202 4.438 4.640 0.001 0.000 0.317 50 D C -0.599 175.728 176.300 0.046 0.000 2.508 50 D CA 0.949 54.955 54.000 0.010 0.000 1.333 50 D CB -0.069 40.717 40.800 -0.023 0.000 1.145 50 D HN 0.070 nan 8.370 nan 0.000 1.293 51 M N 0.263 119.873 119.600 0.017 0.000 2.457 51 M HA 0.362 4.843 4.480 0.001 0.000 0.300 51 M C 0.104 176.411 176.300 0.012 0.000 1.141 51 M CA -0.784 54.530 55.300 0.023 0.000 0.901 51 M CB 2.084 34.699 32.600 0.024 0.000 1.687 51 M HN 0.535 nan 8.290 nan 0.000 0.449 52 T N -1.149 113.412 114.554 0.012 0.000 2.726 52 T HA 0.211 4.562 4.350 0.001 0.000 0.294 52 T C 0.900 175.605 174.700 0.008 0.000 1.013 52 T CA -0.481 61.623 62.100 0.006 0.000 0.996 52 T CB 0.864 69.734 68.868 0.004 0.000 1.016 52 T HN 0.729 nan 8.240 nan 0.000 0.529 53 M N 2.105 121.708 119.600 0.006 0.000 2.065 53 M HA 0.035 4.516 4.480 0.001 0.000 0.259 53 M C -0.851 175.457 176.300 0.014 0.000 1.069 53 M CA 1.387 56.693 55.300 0.009 0.000 1.110 53 M CB -1.287 31.317 32.600 0.007 0.000 1.328 53 M HN 0.614 nan 8.290 nan 0.000 0.405 54 P HA -0.155 nan 4.420 nan 0.000 0.222 54 P C 0.727 178.040 177.300 0.022 0.000 1.147 54 P CA 1.436 64.546 63.100 0.017 0.000 0.790 54 P CB -0.193 31.515 31.700 0.013 0.000 0.780 55 E N -0.135 120.078 120.200 0.022 0.000 2.122 55 E HA -0.036 4.314 4.350 0.001 0.000 0.190 55 E C 2.352 178.972 176.600 0.034 0.000 0.977 55 E CA 0.415 56.832 56.400 0.028 0.000 0.820 55 E CB -0.094 29.621 29.700 0.026 0.000 0.770 55 E HN 0.211 nan 8.360 nan 0.000 0.462 56 R N 0.426 120.943 120.500 0.028 0.000 2.081 56 R HA -0.104 4.236 4.340 0.001 0.000 0.235 56 R C 2.406 178.728 176.300 0.036 0.000 1.131 56 R CA 1.073 57.191 56.100 0.030 0.000 0.960 56 R CB -0.252 30.059 30.300 0.019 0.000 0.856 56 R HN 0.044 nan 8.270 nan 0.000 0.436 57 V N 0.310 120.244 119.914 0.033 0.000 2.295 57 V HA -0.233 3.887 4.120 0.001 0.000 0.246 57 V C 2.161 178.281 176.094 0.044 0.000 1.049 57 V CA 1.969 64.291 62.300 0.036 0.000 1.024 57 V CB -0.426 31.415 31.823 0.030 0.000 0.648 57 V HN 0.282 nan 8.190 nan 0.000 0.447 58 S N 0.057 115.784 115.700 0.044 0.000 2.383 58 S HA -0.181 4.289 4.470 0.001 0.000 0.229 58 S C 1.865 176.505 174.600 0.067 0.000 1.030 58 S CA 1.696 59.927 58.200 0.052 0.000 1.002 58 S CB -0.407 62.821 63.200 0.048 0.000 0.829 58 S HN 0.432 nan 8.310 nan 0.000 0.467 59 L N 1.667 122.934 121.223 0.072 0.000 2.056 59 L HA -0.070 4.270 4.340 0.001 0.000 0.207 59 L C 2.278 179.209 176.870 0.102 0.000 1.078 59 L CA 1.863 56.763 54.840 0.100 0.000 0.749 59 L CB -1.316 40.805 42.059 0.104 0.000 0.901 59 L HN 0.202 nan 8.230 nan 0.000 0.433 60 T N -0.518 114.083 114.554 0.078 0.000 2.746 60 T HA -0.185 4.165 4.350 0.001 0.000 0.267 60 T C 1.895 176.637 174.700 0.070 0.000 1.039 60 T CA 1.970 64.114 62.100 0.073 0.000 1.142 60 T CB -0.211 68.692 68.868 0.059 0.000 0.866 60 T HN 0.290 nan 8.240 nan 0.000 0.444 61 M N 0.701 120.339 119.600 0.063 0.000 2.319 61 M HA 0.083 4.563 4.480 0.001 0.000 0.265 61 M C 2.781 179.118 176.300 0.062 0.000 1.068 61 M CA 0.911 56.245 55.300 0.057 0.000 1.118 61 M CB -0.414 32.215 32.600 0.049 0.000 1.395 61 M HN 0.298 nan 8.290 nan 0.000 0.435 62 A N 0.314 123.178 122.820 0.073 0.000 1.930 62 A HA -0.114 4.206 4.320 0.001 0.000 0.217 62 A C 2.125 179.758 177.584 0.082 0.000 1.175 62 A CA 1.326 53.410 52.037 0.078 0.000 0.627 62 A CB -0.425 18.631 19.000 0.094 0.000 0.815 62 A HN 0.419 nan 8.150 nan 0.000 0.443 63 M N -1.538 118.121 119.600 0.098 0.000 2.193 63 M HA -0.052 4.428 4.480 0.001 0.000 0.265 63 M C 2.425 178.771 176.300 0.076 0.000 1.071 63 M CA 1.431 56.793 55.300 0.104 0.000 1.140 63 M CB -0.286 32.396 32.600 0.136 0.000 1.369 63 M HN 0.514 nan 8.290 nan 0.000 0.423 64 R N 0.665 121.204 120.500 0.065 0.000 2.091 64 R HA -0.192 4.149 4.340 0.001 0.000 0.238 64 R C 1.176 177.502 176.300 0.043 0.000 1.136 64 R CA 1.908 58.038 56.100 0.051 0.000 0.959 64 R CB -0.259 30.070 30.300 0.048 0.000 0.856 64 R HN 0.313 nan 8.270 nan 0.000 0.437 65 D N 0.039 120.466 120.400 0.044 0.000 2.269 65 D HA -0.087 4.553 4.640 0.001 0.000 0.208 65 D C 1.887 178.206 176.300 0.032 0.000 0.963 65 D CA 1.344 55.366 54.000 0.036 0.000 0.864 65 D CB 0.031 40.853 40.800 0.037 0.000 0.936 65 D HN 0.369 nan 8.370 nan 0.000 0.505 66 S N -0.412 115.311 115.700 0.038 0.000 2.419 66 S HA -0.042 4.428 4.470 0.001 0.000 0.235 66 S C 1.434 176.047 174.600 0.022 0.000 1.019 66 S CA 1.117 59.335 58.200 0.031 0.000 0.982 66 S CB -0.118 63.106 63.200 0.040 0.000 0.789 66 S HN 0.219 nan 8.310 nan 0.000 0.490 67 G N 0.318 109.133 108.800 0.024 0.000 3.410 67 G HA2 0.539 4.499 3.960 0.001 0.000 0.189 67 G HA3 0.539 4.499 3.960 0.001 0.000 0.189 67 G C -0.735 174.171 174.900 0.010 0.000 1.404 67 G CA -0.206 44.903 45.100 0.016 0.000 0.898 67 G HN 0.335 nan 8.290 nan 0.000 0.650 68 T N 0.326 114.886 114.554 0.009 0.000 2.929 68 T HA 0.526 4.876 4.350 0.001 0.000 0.284 68 T C -0.490 174.214 174.700 0.007 0.000 1.014 68 T CA -0.174 61.926 62.100 0.001 0.000 1.051 68 T CB 1.607 70.473 68.868 -0.004 0.000 1.028 68 T HN 1.024 nan 8.240 nan 0.000 0.485 69 V N 1.266 121.177 119.914 -0.006 0.000 2.462 69 V HA 0.508 4.628 4.120 0.001 0.000 0.288 69 V C -0.358 175.713 176.094 -0.038 0.000 1.020 69 V CA -1.168 61.133 62.300 0.002 0.000 0.857 69 V CB 0.463 32.292 31.823 0.010 0.000 1.013 69 V HN 0.768 nan 8.190 nan 0.000 0.431 70 L N 2.766 123.964 121.223 -0.041 0.000 2.461 70 L HA 0.515 4.855 4.340 0.001 0.000 0.272 70 L C 0.036 176.738 176.870 -0.280 0.000 1.197 70 L CA 0.440 55.164 54.840 -0.195 0.000 0.836 70 L CB 0.470 42.436 42.059 -0.154 0.000 1.105 70 L HN 0.808 nan 8.230 nan 0.000 0.477 71 D N 0.487 120.578 120.400 -0.515 0.000 2.757 71 D HA 0.349 4.989 4.640 0.001 0.000 0.249 71 D C -0.679 175.250 176.300 -0.619 0.000 1.168 71 D CA -0.481 53.284 54.000 -0.391 0.000 0.870 71 D CB 1.086 41.768 40.800 -0.197 0.000 1.411 71 D HN 0.324 nan 8.370 nan 0.000 0.525 72 W N 3.503 124.763 121.300 -0.066 0.000 3.102 72 W HA 0.317 4.978 4.660 0.000 0.000 0.401 72 W C 1.890 178.350 176.519 -0.098 0.000 1.070 72 W CA -0.626 56.654 57.345 -0.109 0.000 1.921 72 W CB 0.338 29.722 29.460 -0.127 0.000 1.118 72 W HN 0.398 nan 8.180 nan 0.000 0.647 73 K N 0.554 120.985 120.400 0.052 0.000 2.057 73 K HA -0.168 4.152 4.320 0.001 0.000 0.206 73 K C 2.150 178.738 176.600 -0.021 0.000 1.050 73 K CA 1.630 57.953 56.287 0.060 0.000 0.935 73 K CB -0.245 32.282 32.500 0.045 0.000 0.715 73 K HN 0.089 nan 8.250 nan 0.000 0.439 74 S N 0.652 116.257 115.700 -0.158 0.000 2.402 74 S HA -0.039 4.432 4.470 0.001 0.000 0.229 74 S C 1.816 176.073 174.600 -0.571 0.000 1.021 74 S CA 0.436 58.408 58.200 -0.379 0.000 0.974 74 S CB -0.083 62.967 63.200 -0.250 0.000 0.800 74 S HN 0.279 nan 8.310 nan 0.000 0.484 75 L N 1.487 122.553 121.223 -0.261 0.000 2.353 75 L HA -0.000 4.340 4.340 0.001 0.000 0.220 75 L C 0.409 177.211 176.870 -0.114 0.000 1.133 75 L CA 1.413 56.154 54.840 -0.166 0.000 0.798 75 L CB -1.726 40.328 42.059 -0.008 0.000 0.922 75 L HN 0.506 nan 8.230 nan 0.000 0.445 76 H N -1.117 117.940 119.070 -0.021 0.000 2.692 76 H HA -0.158 4.399 4.556 0.000 0.000 0.316 76 H C 0.383 175.681 175.328 -0.050 0.000 1.176 76 H CA 0.210 56.243 56.048 -0.024 0.000 1.142 76 H CB -2.219 27.532 29.762 -0.018 0.000 1.475 76 H HN 0.212 nan 8.280 nan 0.000 0.423 77 L N 0.681 121.909 121.223 0.008 0.000 2.360 77 L HA 0.093 4.433 4.340 0.001 0.000 0.276 77 L C 0.782 177.657 176.870 0.009 0.000 1.121 77 L CA 0.095 54.861 54.840 -0.123 0.000 0.845 77 L CB 0.380 42.172 42.059 -0.443 0.000 1.143 77 L HN 0.160 nan 8.230 nan 0.000 0.452 78 N N 2.999 121.743 118.700 0.072 0.000 3.083 78 N HA 0.504 5.244 4.740 0.001 0.000 0.260 78 N C -0.108 175.505 175.510 0.171 0.000 1.163 78 N CA -0.161 52.947 53.050 0.097 0.000 1.060 78 N CB 1.077 39.608 38.487 0.073 0.000 1.345 78 N HN 0.784 nan 8.380 nan 0.000 0.515 79 G N 1.091 110.006 108.800 0.191 0.000 2.442 79 G HA2 0.231 4.192 3.960 0.001 0.000 0.296 79 G HA3 0.231 4.192 3.960 0.001 0.000 0.296 79 G C -3.272 171.742 174.900 0.190 0.000 1.564 79 G CA -0.917 44.315 45.100 0.219 0.000 0.828 79 G HN 0.015 nan 8.290 nan 0.000 0.571 80 P HA 0.417 nan 4.420 nan 0.000 0.278 80 P C -0.262 177.071 177.300 0.055 0.000 1.238 80 P CA -0.412 62.725 63.100 0.060 0.000 0.794 80 P CB 1.420 33.133 31.700 0.021 0.000 0.955 81 I N 3.789 124.358 120.570 -0.001 0.000 2.291 81 I HA 0.157 4.327 4.170 0.001 0.000 0.292 81 I C 0.758 176.840 176.117 -0.058 0.000 1.064 81 I CA -0.493 60.751 61.300 -0.094 0.000 1.269 81 I CB 0.444 38.326 38.000 -0.196 0.000 1.418 81 I HN 0.166 nan 8.210 nan 0.000 0.485 82 V N 3.109 122.987 119.914 -0.060 0.000 3.001 82 V HA 0.885 5.005 4.120 0.001 0.000 0.314 82 V C -0.914 175.155 176.094 -0.041 0.000 1.099 82 V CA -0.548 61.729 62.300 -0.039 0.000 0.989 82 V CB 2.873 34.675 31.823 -0.034 0.000 1.040 82 V HN 0.628 nan 8.190 nan 0.000 0.434 83 D N 0.524 120.912 120.400 -0.020 0.000 2.639 83 D HA 0.443 5.083 4.640 0.001 0.000 0.271 83 D C -1.561 174.740 176.300 0.002 0.000 1.254 83 D CA -0.554 53.439 54.000 -0.012 0.000 0.810 83 D CB 2.570 43.367 40.800 -0.006 0.000 1.351 83 D HN 0.927 nan 8.370 nan 0.000 0.427 84 K N 0.553 120.959 120.400 0.010 0.000 2.281 84 K HA 0.522 4.842 4.320 0.001 0.000 0.242 84 K C -1.356 175.299 176.600 0.092 0.000 0.971 84 K CA -0.476 55.830 56.287 0.032 0.000 0.834 84 K CB 1.371 33.875 32.500 0.006 0.000 1.181 84 K HN 0.528 nan 8.250 nan 0.000 0.435 85 H N -0.385 118.667 119.070 -0.031 0.000 2.949 85 H HA 0.601 5.157 4.556 0.000 0.000 0.356 85 H C -1.500 173.799 175.328 -0.048 0.000 1.212 85 H CA -0.466 55.559 56.048 -0.039 0.000 1.136 85 H CB 2.177 31.920 29.762 -0.031 0.000 1.869 85 H HN 0.611 nan 8.280 nan 0.000 0.556 86 S N -1.041 114.459 115.700 -0.334 0.000 2.661 86 S HA 0.364 4.834 4.470 0.001 0.000 0.268 86 S C -0.633 173.671 174.600 -0.493 0.000 1.162 86 S CA 0.055 58.068 58.200 -0.312 0.000 0.817 86 S CB 0.527 63.647 63.200 -0.132 0.000 1.141 86 S HN 0.841 nan 8.310 nan 0.000 0.477 87 T N -0.257 114.112 114.554 -0.309 0.000 3.266 87 T HA 0.624 4.974 4.350 0.001 0.000 0.278 87 T C 0.869 175.414 174.700 -0.258 0.000 1.010 87 T CA 0.471 62.359 62.100 -0.354 0.000 0.909 87 T CB -0.472 68.269 68.868 -0.211 0.000 1.122 87 T HN 1.919 nan 8.240 nan 0.000 0.536 88 G N -0.650 108.033 108.800 -0.194 0.000 2.758 88 G HA2 0.423 4.383 3.960 0.001 0.000 0.686 88 G HA3 0.423 4.383 3.960 0.001 0.000 0.686 88 G C -0.139 174.705 174.900 -0.094 0.000 1.389 88 G CA -0.395 44.619 45.100 -0.144 0.000 0.845 88 G HN 1.794 nan 8.290 nan 0.000 0.572 89 G N -1.482 107.259 108.800 -0.099 0.000 2.387 89 G HA2 0.580 4.540 3.960 0.001 0.000 0.309 89 G HA3 0.580 4.540 3.960 0.001 0.000 0.309 89 G C -0.672 174.183 174.900 -0.076 0.000 1.641 89 G CA 0.201 45.263 45.100 -0.063 0.000 0.904 89 G HN 1.701 nan 8.290 nan 0.000 0.661 90 V N 1.989 121.869 119.914 -0.057 0.000 2.450 90 V HA 0.436 4.556 4.120 0.001 0.000 0.281 90 V C 1.657 177.751 176.094 -0.001 0.000 1.019 90 V CA 1.913 64.192 62.300 -0.036 0.000 1.062 90 V CB 0.675 32.513 31.823 0.025 0.000 0.979 90 V HN 2.423 nan 8.190 nan 0.000 0.477 91 G N 4.354 113.148 108.800 -0.010 0.000 2.137 91 G HA2 -0.211 3.749 3.960 0.001 0.000 0.237 91 G HA3 -0.211 3.749 3.960 0.001 0.000 0.237 91 G C 0.102 174.991 174.900 -0.020 0.000 1.002 91 G CA 0.139 45.241 45.100 0.003 0.000 0.702 91 G HN 0.809 nan 8.290 nan 0.000 0.515 92 D N 0.301 120.676 120.400 -0.042 0.000 2.896 92 D HA 0.376 5.017 4.640 0.001 0.000 0.240 92 D C 1.547 177.800 176.300 -0.079 0.000 1.193 92 D CA 0.125 54.091 54.000 -0.057 0.000 0.983 92 D CB 0.422 41.187 40.800 -0.058 0.000 1.074 92 D HN 0.161 nan 8.370 nan 0.000 0.496 93 V N 1.850 121.711 119.914 -0.089 0.000 3.241 93 V HA -0.176 3.945 4.120 0.001 0.000 0.269 93 V C 2.218 178.215 176.094 -0.162 0.000 1.151 93 V CA 2.100 64.331 62.300 -0.116 0.000 1.158 93 V CB -0.844 30.910 31.823 -0.116 0.000 0.764 93 V HN 0.687 nan 8.190 nan 0.000 0.508 94 T N -2.588 111.862 114.554 -0.174 0.000 2.718 94 T HA -0.339 4.012 4.350 0.001 0.000 0.266 94 T C 1.979 176.569 174.700 -0.184 0.000 1.033 94 T CA 2.236 64.205 62.100 -0.217 0.000 1.151 94 T CB -0.895 67.872 68.868 -0.169 0.000 0.853 94 T HN 0.480 nan 8.240 nan 0.000 0.466 95 S N 0.567 116.193 115.700 -0.124 0.000 2.419 95 S HA 0.080 4.550 4.470 0.001 0.000 0.233 95 S C 1.906 176.462 174.600 -0.073 0.000 1.016 95 S CA 0.944 59.093 58.200 -0.085 0.000 0.974 95 S CB -0.586 62.579 63.200 -0.058 0.000 0.786 95 S HN 0.618 nan 8.310 nan 0.000 0.492 96 L N -0.268 120.895 121.223 -0.099 0.000 2.156 96 L HA -0.029 4.311 4.340 0.001 0.000 0.208 96 L C 2.220 179.027 176.870 -0.105 0.000 1.095 96 L CA 0.945 55.752 54.840 -0.056 0.000 0.770 96 L CB -0.377 41.627 42.059 -0.092 0.000 0.914 96 L HN 0.374 nan 8.230 nan 0.000 0.439 97 M N -0.952 118.520 119.600 -0.214 0.000 2.466 97 M HA -0.022 4.459 4.480 0.001 0.000 0.265 97 M C 2.039 178.272 176.300 -0.112 0.000 1.122 97 M CA 1.035 56.206 55.300 -0.214 0.000 1.157 97 M CB -0.180 32.155 32.600 -0.442 0.000 1.352 97 M HN 0.070 nan 8.290 nan 0.000 0.464 98 L N -0.042 121.107 121.223 -0.124 0.000 2.046 98 L HA -0.063 4.277 4.340 0.001 0.000 0.208 98 L C 2.205 179.052 176.870 -0.039 0.000 1.077 98 L CA 1.795 56.585 54.840 -0.083 0.000 0.747 98 L CB -0.834 41.172 42.059 -0.089 0.000 0.896 98 L HN 0.367 nan 8.230 nan 0.000 0.432 99 G N -0.059 108.734 108.800 -0.012 0.000 2.587 99 G HA2 -0.232 3.729 3.960 0.001 0.000 0.217 99 G HA3 -0.232 3.729 3.960 0.001 0.000 0.217 99 G C -0.715 174.196 174.900 0.019 0.000 1.240 99 G CA 1.032 46.140 45.100 0.013 0.000 0.794 99 G HN 0.352 nan 8.290 nan 0.000 0.580 100 P HA -0.137 nan 4.420 nan 0.000 0.213 100 P C 2.280 179.593 177.300 0.022 0.000 1.170 100 P CA 1.459 64.603 63.100 0.073 0.000 0.902 100 P CB -0.174 31.616 31.700 0.150 0.000 0.789 101 M N -1.193 118.418 119.600 0.018 0.000 2.113 101 M HA -0.194 4.286 4.480 0.001 0.000 0.255 101 M C 1.901 178.183 176.300 -0.030 0.000 1.073 101 M CA 1.881 57.182 55.300 0.002 0.000 1.091 101 M CB -1.170 31.431 32.600 0.002 0.000 1.309 101 M HN -0.190 nan 8.290 nan 0.000 0.407 102 V N -0.369 119.517 119.914 -0.047 0.000 2.719 102 V HA -0.127 3.993 4.120 0.001 0.000 0.252 102 V C 2.461 178.484 176.094 -0.118 0.000 1.065 102 V CA 1.556 63.811 62.300 -0.074 0.000 1.086 102 V CB -1.128 30.652 31.823 -0.073 0.000 0.700 102 V HN 0.509 nan 8.190 nan 0.000 0.467 103 A N 0.365 123.116 122.820 -0.114 0.000 1.929 103 A HA 0.035 4.355 4.320 0.001 0.000 0.216 103 A C 2.365 179.854 177.584 -0.159 0.000 1.176 103 A CA 1.567 53.495 52.037 -0.180 0.000 0.628 103 A CB -0.600 18.329 19.000 -0.118 0.000 0.816 103 A HN 0.531 nan 8.150 nan 0.000 0.444 104 A N -1.548 121.222 122.820 -0.083 0.000 2.121 104 A HA -0.063 4.257 4.320 0.001 0.000 0.218 104 A C 1.640 179.182 177.584 -0.069 0.000 1.154 104 A CA 1.413 53.415 52.037 -0.057 0.000 0.679 104 A CB -0.846 18.143 19.000 -0.017 0.000 0.795 104 A HN 0.561 nan 8.150 nan 0.000 0.458 105 C N -1.098 118.150 119.300 -0.087 0.000 2.589 105 C HA 0.535 4.995 4.460 0.001 0.000 0.307 105 C C 1.837 176.763 174.990 -0.107 0.000 1.328 105 C CA 0.055 59.026 59.018 -0.079 0.000 1.742 105 C CB -1.044 26.660 27.740 -0.060 0.000 2.037 105 C HN 0.982 nan 8.230 nan 0.000 0.592 106 G N 0.516 109.216 108.800 -0.166 0.000 2.194 106 G HA2 -0.089 3.872 3.960 0.001 0.000 0.236 106 G HA3 -0.089 3.872 3.960 0.001 0.000 0.236 106 G C 0.391 175.096 174.900 -0.325 0.000 0.987 106 G CA -0.023 44.955 45.100 -0.203 0.000 0.635 106 G HN 0.773 nan 8.290 nan 0.000 0.520 107 G N -1.053 107.546 108.800 -0.335 0.000 2.547 107 G HA2 0.594 4.554 3.960 0.001 0.000 0.291 107 G HA3 0.594 4.554 3.960 0.001 0.000 0.291 107 G C -1.009 173.504 174.900 -0.645 0.000 1.211 107 G CA -0.823 44.073 45.100 -0.340 0.000 0.950 107 G HN 0.395 nan 8.290 nan 0.000 0.504 108 Y N -0.772 119.439 120.300 -0.148 0.000 2.322 108 Y HA 0.392 4.942 4.550 0.001 0.000 0.324 108 Y C -0.530 175.214 175.900 -0.260 0.000 1.027 108 Y CA -0.724 57.241 58.100 -0.225 0.000 1.179 108 Y CB 1.990 40.260 38.460 -0.316 0.000 1.136 108 Y HN 0.232 nan 8.280 nan 0.000 0.449 109 I N 6.413 126.936 120.570 -0.079 0.000 2.337 109 I HA 0.302 4.473 4.170 0.001 0.000 0.285 109 I C -2.250 173.834 176.117 -0.054 0.000 1.041 109 I CA -2.462 58.792 61.300 -0.076 0.000 1.199 109 I CB 1.152 39.131 38.000 -0.035 0.000 1.370 109 I HN 0.281 nan 8.210 nan 0.000 0.470 110 P HA 0.128 nan 4.420 nan 0.000 0.220 110 P C 0.074 177.548 177.300 0.289 0.000 1.806 110 P CA -0.287 62.892 63.100 0.131 0.000 0.976 110 P CB 0.206 31.898 31.700 -0.014 0.000 1.952 111 M N 2.651 122.366 119.600 0.191 0.000 3.102 111 M HA 0.120 4.600 4.480 0.001 0.000 0.269 111 M C -0.034 176.301 176.300 0.058 0.000 1.551 111 M CA 0.030 55.390 55.300 0.100 0.000 1.629 111 M CB -0.595 32.037 32.600 0.054 0.000 1.324 111 M HN 0.100 nan 8.290 nan 0.000 0.509 112 I N 2.721 123.319 120.570 0.047 0.000 2.278 112 I HA 0.085 4.256 4.170 0.001 0.000 0.296 112 I C 0.431 176.518 176.117 -0.050 0.000 1.121 112 I CA -0.199 61.079 61.300 -0.037 0.000 1.267 112 I CB 0.230 38.225 38.000 -0.008 0.000 1.447 112 I HN 0.496 nan 8.210 nan 0.000 0.509 113 S N 3.508 119.170 115.700 -0.064 0.000 2.666 113 S HA 0.729 5.200 4.470 0.001 0.000 0.279 113 S C 0.362 174.932 174.600 -0.051 0.000 1.149 113 S CA -0.573 57.592 58.200 -0.058 0.000 1.020 113 S CB 1.619 64.784 63.200 -0.059 0.000 1.127 113 S HN 0.712 nan 8.310 nan 0.000 0.537 114 G N -0.072 108.704 108.800 -0.041 0.000 2.533 114 G HA2 0.583 4.543 3.960 0.001 0.000 0.304 114 G HA3 0.583 4.543 3.960 0.001 0.000 0.304 114 G C -1.236 173.652 174.900 -0.019 0.000 1.263 114 G CA -0.818 44.269 45.100 -0.020 0.000 0.964 114 G HN 0.444 nan 8.290 nan 0.000 0.479 115 R N 0.137 120.643 120.500 0.010 0.000 2.442 115 R HA 0.442 4.782 4.340 0.001 0.000 0.291 115 R C 0.972 177.271 176.300 -0.001 0.000 1.069 115 R CA 0.246 56.355 56.100 0.016 0.000 1.022 115 R CB 0.418 30.755 30.300 0.061 0.000 0.976 115 R HN 0.612 nan 8.270 nan 0.000 0.443 116 G N 4.908 113.703 108.800 -0.009 0.000 2.327 116 G HA2 0.138 4.098 3.960 0.001 0.000 0.278 116 G HA3 0.138 4.098 3.960 0.001 0.000 0.278 116 G C 0.435 175.328 174.900 -0.012 0.000 1.145 116 G CA -0.343 44.743 45.100 -0.022 0.000 1.097 116 G HN 0.642 nan 8.290 nan 0.000 0.430 117 L N 1.495 122.709 121.223 -0.014 0.000 2.558 117 L HA 0.548 4.888 4.340 0.001 0.000 0.225 117 L C 0.991 177.865 176.870 0.006 0.000 1.128 117 L CA -0.302 54.536 54.840 -0.003 0.000 0.868 117 L CB -0.949 41.107 42.059 -0.005 0.000 1.006 117 L HN 0.630 nan 8.230 nan 0.000 0.454 118 G N -2.258 106.545 108.800 0.004 0.000 2.404 118 G HA2 0.276 4.236 3.960 0.001 0.000 0.298 118 G HA3 0.276 4.236 3.960 0.001 0.000 0.298 118 G C -0.114 174.820 174.900 0.056 0.000 1.577 118 G CA 0.037 45.158 45.100 0.036 0.000 0.847 118 G HN 0.392 nan 8.290 nan 0.000 0.598 119 H N -0.468 118.599 119.070 -0.004 0.000 1.453 119 H HA -0.436 4.120 4.556 0.000 0.000 0.090 119 H C 2.352 177.680 175.328 -0.001 0.000 0.828 119 H CA 4.850 60.899 56.048 0.003 0.000 1.901 119 H CB -1.219 28.551 29.762 0.013 0.000 2.257 119 H HN 1.397 nan 8.280 nan 0.000 0.961 120 T N -0.094 114.059 114.554 -0.668 0.000 2.792 120 T HA 0.150 4.501 4.350 0.001 0.000 0.268 120 T C 1.501 176.024 174.700 -0.296 0.000 1.059 120 T CA 2.548 64.300 62.100 -0.580 0.000 1.136 120 T CB -0.846 67.854 68.868 -0.280 0.000 0.846 120 T HN 1.621 nan 8.240 nan 0.000 0.489 121 G N -0.749 107.940 108.800 -0.185 0.000 2.498 121 G HA2 0.421 4.382 3.960 0.001 0.000 0.651 121 G HA3 0.421 4.382 3.960 0.001 0.000 0.651 121 G C -0.271 174.578 174.900 -0.084 0.000 1.284 121 G CA -0.436 44.596 45.100 -0.113 0.000 0.950 121 G HN 1.447 nan 8.290 nan 0.000 0.511 122 G N -2.033 106.730 108.800 -0.062 0.000 2.739 122 G HA2 0.652 4.612 3.960 0.001 0.000 0.292 122 G HA3 0.652 4.612 3.960 0.001 0.000 0.292 122 G C 0.421 175.288 174.900 -0.054 0.000 1.444 122 G CA 1.015 46.084 45.100 -0.051 0.000 1.144 122 G HN 1.612 nan 8.290 nan 0.000 0.550 123 T N 2.019 116.534 114.554 -0.065 0.000 2.951 123 T HA -0.032 4.318 4.350 0.001 0.000 0.268 123 T C 2.234 176.869 174.700 -0.108 0.000 1.073 123 T CA 1.169 63.220 62.100 -0.082 0.000 1.134 123 T CB -0.293 68.530 68.868 -0.075 0.000 0.884 123 T HN 0.327 nan 8.240 nan 0.000 0.479 124 L N 0.431 121.597 121.223 -0.094 0.000 2.109 124 L HA 0.004 4.344 4.340 0.001 0.000 0.207 124 L C 2.561 179.369 176.870 -0.102 0.000 1.086 124 L CA 1.208 55.976 54.840 -0.120 0.000 0.760 124 L CB -0.502 41.491 42.059 -0.110 0.000 0.910 124 L HN 0.230 nan 8.230 nan 0.000 0.437 125 D N 0.535 120.923 120.400 -0.021 0.000 2.123 125 D HA -0.189 4.452 4.640 0.001 0.000 0.196 125 D C 2.111 178.435 176.300 0.041 0.000 0.992 125 D CA 1.242 55.302 54.000 0.100 0.000 0.833 125 D CB 0.009 40.890 40.800 0.135 0.000 0.954 125 D HN 0.169 nan 8.370 nan 0.000 0.455 126 K N 0.422 120.796 120.400 -0.043 0.000 2.020 126 K HA -0.068 4.253 4.320 0.001 0.000 0.212 126 K C 2.237 178.693 176.600 -0.240 0.000 1.050 126 K CA 0.684 56.914 56.287 -0.094 0.000 0.929 126 K CB -0.296 32.145 32.500 -0.098 0.000 0.714 126 K HN 0.098 nan 8.250 nan 0.000 0.443 127 L N 0.680 121.685 121.223 -0.363 0.000 2.275 127 L HA -0.145 4.195 4.340 0.001 0.000 0.215 127 L C 1.667 178.140 176.870 -0.662 0.000 1.119 127 L CA 0.978 55.401 54.840 -0.695 0.000 0.790 127 L CB -0.196 41.224 42.059 -1.064 0.000 0.919 127 L HN 0.257 nan 8.230 nan 0.000 0.443 128 E N -0.795 119.134 120.200 -0.450 0.000 2.511 128 E HA -0.077 4.274 4.350 0.001 0.000 0.196 128 E C 1.950 178.106 176.600 -0.740 0.000 1.066 128 E CA 0.137 56.276 56.400 -0.435 0.000 0.871 128 E CB 0.207 29.724 29.700 -0.305 0.000 0.863 128 E HN 0.342 nan 8.360 nan 0.000 0.520 129 S N 0.534 115.824 115.700 -0.683 0.000 2.414 129 S HA 0.036 4.506 4.470 0.001 0.000 0.227 129 S C 0.944 175.399 174.600 -0.241 0.000 1.022 129 S CA 0.224 58.111 58.200 -0.520 0.000 0.958 129 S CB 0.112 63.176 63.200 -0.226 0.000 0.797 129 S HN 0.201 nan 8.310 nan 0.000 0.493 130 I N 3.536 123.940 120.570 -0.276 0.000 2.581 130 I HA 0.086 4.256 4.170 0.001 0.000 0.285 130 I C -2.542 173.511 176.117 -0.108 0.000 1.129 130 I CA -1.910 59.243 61.300 -0.246 0.000 1.397 130 I CB 0.192 37.864 38.000 -0.546 0.000 1.399 130 I HN -0.102 nan 8.210 nan 0.000 0.537 131 P HA -0.032 nan 4.420 nan 0.000 0.253 131 P C 0.757 178.059 177.300 0.004 0.000 1.170 131 P CA 0.810 63.938 63.100 0.047 0.000 0.806 131 P CB 0.196 32.003 31.700 0.179 0.000 0.775 132 G N 2.799 111.598 108.800 -0.002 0.000 2.131 132 G HA2 -0.279 3.682 3.960 0.001 0.000 0.223 132 G HA3 -0.279 3.682 3.960 0.001 0.000 0.223 132 G C -0.026 174.837 174.900 -0.062 0.000 0.990 132 G CA -0.754 44.331 45.100 -0.024 0.000 0.671 132 G HN 0.489 nan 8.290 nan 0.000 0.521 133 F N 1.733 121.575 119.950 -0.180 0.000 2.495 133 F HA 0.502 5.029 4.527 0.000 0.000 0.365 133 F C 0.383 176.081 175.800 -0.170 0.000 1.090 133 F CA -0.159 57.713 58.000 -0.213 0.000 1.235 133 F CB 0.975 39.807 39.000 -0.279 0.000 1.119 133 F HN 0.058 nan 8.300 nan 0.000 0.562 134 D N 6.626 126.586 120.400 -0.732 0.000 2.460 134 D HA 0.157 4.798 4.640 0.001 0.000 0.232 134 D C 0.825 176.830 176.300 -0.491 0.000 1.079 134 D CA -0.337 53.406 54.000 -0.429 0.000 0.864 134 D CB 0.362 40.978 40.800 -0.307 0.000 1.048 134 D HN 0.535 nan 8.370 nan 0.000 0.523 135 I N -0.433 119.942 120.570 -0.325 0.000 3.684 135 I HA 0.256 4.426 4.170 0.001 0.000 0.304 135 I C -0.257 175.490 176.117 -0.617 0.000 1.278 135 I CA 0.119 61.168 61.300 -0.418 0.000 1.272 135 I CB -0.113 37.590 38.000 -0.495 0.000 1.029 135 I HN 0.050 nan 8.210 nan 0.000 0.458 136 F N 4.097 123.987 119.950 -0.100 0.000 2.664 136 F HA 0.517 5.044 4.527 0.000 0.000 0.322 136 F C -2.185 173.554 175.800 -0.102 0.000 1.324 136 F CA -2.950 54.990 58.000 -0.100 0.000 1.154 136 F CB -0.172 38.787 39.000 -0.067 0.000 1.236 136 F HN 0.012 nan 8.300 nan 0.000 0.532 137 P HA 0.139 nan 4.420 nan 0.000 0.282 137 P C -0.364 176.957 177.300 0.036 0.000 1.249 137 P CA -0.354 62.749 63.100 0.005 0.000 0.806 137 P CB 1.442 33.132 31.700 -0.017 0.000 0.984 138 D N 1.661 122.087 120.400 0.044 0.000 2.382 138 D HA -0.043 4.597 4.640 0.001 0.000 0.240 138 D C 0.513 176.870 176.300 0.095 0.000 1.146 138 D CA -0.179 53.849 54.000 0.047 0.000 0.897 138 D CB 0.911 41.727 40.800 0.026 0.000 1.197 138 D HN 0.279 nan 8.370 nan 0.000 0.432 139 D N 1.413 121.867 120.400 0.091 0.000 2.154 139 D HA -0.239 4.401 4.640 0.001 0.000 0.190 139 D C 1.553 177.928 176.300 0.124 0.000 1.003 139 D CA 1.341 55.426 54.000 0.141 0.000 0.849 139 D CB -0.146 40.686 40.800 0.053 0.000 0.942 139 D HN 0.535 nan 8.370 nan 0.000 0.446 140 N N 0.687 119.419 118.700 0.054 0.000 2.036 140 N HA -0.215 4.526 4.740 0.001 0.000 0.195 140 N C 2.030 177.573 175.510 0.055 0.000 1.037 140 N CA 1.109 54.175 53.050 0.028 0.000 0.855 140 N CB -0.244 38.248 38.487 0.008 0.000 1.033 140 N HN 0.122 nan 8.380 nan 0.000 0.423 141 R N 0.769 121.314 120.500 0.075 0.000 2.081 141 R HA -0.093 4.247 4.340 0.001 0.000 0.235 141 R C 2.124 178.519 176.300 0.157 0.000 1.131 141 R CA 0.925 57.073 56.100 0.080 0.000 0.960 141 R CB -0.792 29.541 30.300 0.056 0.000 0.856 141 R HN 0.152 nan 8.270 nan 0.000 0.436 142 F N 1.381 121.345 119.950 0.024 0.000 2.091 142 F HA -0.169 4.358 4.527 0.000 0.000 0.299 142 F C 1.757 177.633 175.800 0.127 0.000 1.103 142 F CA 1.874 59.913 58.000 0.066 0.000 1.228 142 F CB -0.420 38.633 39.000 0.089 0.000 0.984 142 F HN -0.016 nan 8.300 nan 0.000 0.477 143 R N -0.006 120.505 120.500 0.018 0.000 2.115 143 R HA -0.149 4.191 4.340 0.001 0.000 0.230 143 R C 2.260 178.546 176.300 -0.024 0.000 1.111 143 R CA 1.362 57.441 56.100 -0.036 0.000 0.976 143 R CB -0.532 29.750 30.300 -0.030 0.000 0.870 143 R HN 0.451 nan 8.270 nan 0.000 0.445 144 E N 1.048 121.252 120.200 0.006 0.000 2.072 144 E HA -0.160 4.190 4.350 0.001 0.000 0.191 144 E C 1.823 178.423 176.600 0.001 0.000 0.985 144 E CA 1.000 57.402 56.400 0.002 0.000 0.801 144 E CB 0.069 29.778 29.700 0.014 0.000 0.750 144 E HN 0.300 nan 8.360 nan 0.000 0.452 145 I N 0.968 121.550 120.570 0.020 0.000 2.315 145 I HA -0.242 3.929 4.170 0.001 0.000 0.248 145 I C 2.187 178.304 176.117 0.001 0.000 1.117 145 I CA 0.403 61.719 61.300 0.026 0.000 1.404 145 I CB -0.213 37.837 38.000 0.083 0.000 1.071 145 I HN 0.197 nan 8.210 nan 0.000 0.419 146 I N 1.212 121.734 120.570 -0.079 0.000 2.179 146 I HA -0.275 3.895 4.170 0.001 0.000 0.242 146 I C 2.562 178.660 176.117 -0.033 0.000 1.088 146 I CA 1.627 62.854 61.300 -0.122 0.000 1.357 146 I CB -1.163 36.592 38.000 -0.409 0.000 1.051 146 I HN 0.280 nan 8.210 nan 0.000 0.409 147 K N 0.911 121.255 120.400 -0.093 0.000 2.032 147 K HA -0.225 4.095 4.320 0.001 0.000 0.209 147 K C 1.647 178.271 176.600 0.040 0.000 1.048 147 K CA 2.136 58.374 56.287 -0.081 0.000 0.927 147 K CB 0.033 32.488 32.500 -0.075 0.000 0.712 147 K HN 0.206 nan 8.250 nan 0.000 0.441 148 D N -0.417 120.002 120.400 0.031 0.000 2.085 148 D HA -0.110 4.531 4.640 0.001 0.000 0.199 148 D C 1.887 178.221 176.300 0.057 0.000 0.981 148 D CA 1.297 55.321 54.000 0.041 0.000 0.834 148 D CB 0.036 40.847 40.800 0.020 0.000 0.992 148 D HN 0.024 nan 8.370 nan 0.000 0.457 149 V N -1.299 118.646 119.914 0.051 0.000 2.426 149 V HA 0.304 4.424 4.120 0.001 0.000 0.242 149 V C 1.912 178.036 176.094 0.049 0.000 1.036 149 V CA 1.408 63.733 62.300 0.041 0.000 1.044 149 V CB -0.027 31.809 31.823 0.023 0.000 0.688 149 V HN 0.464 nan 8.190 nan 0.000 0.462 150 G N 0.112 108.967 108.800 0.092 0.000 2.336 150 G HA2 -0.126 3.835 3.960 0.001 0.000 0.194 150 G HA3 -0.126 3.835 3.960 0.001 0.000 0.194 150 G C 0.171 175.092 174.900 0.035 0.000 0.999 150 G CA 0.270 45.420 45.100 0.083 0.000 0.669 150 G HN 1.257 nan 8.290 nan 0.000 0.482 151 V N -2.736 117.196 119.914 0.029 0.000 3.147 151 V HA 1.041 5.162 4.120 0.001 0.000 0.306 151 V C -0.407 175.736 176.094 0.081 0.000 1.209 151 V CA -0.345 61.976 62.300 0.035 0.000 1.023 151 V CB 1.500 33.343 31.823 0.032 0.000 1.059 151 V HN 2.137 nan 8.190 nan 0.000 0.435 152 A N 2.621 125.528 122.820 0.146 0.000 2.577 152 A HA 0.856 5.176 4.320 0.001 0.000 0.297 152 A C -1.397 176.307 177.584 0.200 0.000 1.060 152 A CA -0.441 51.725 52.037 0.214 0.000 0.697 152 A CB 1.480 20.717 19.000 0.395 0.000 1.281 152 A HN 1.146 nan 8.150 nan 0.000 0.402 153 I N 3.916 124.574 120.570 0.147 0.000 2.390 153 I HA 0.469 4.639 4.170 0.001 0.000 0.283 153 I C -0.106 176.026 176.117 0.024 0.000 1.016 153 I CA -0.356 60.989 61.300 0.075 0.000 1.151 153 I CB 0.919 38.945 38.000 0.044 0.000 1.293 153 I HN 0.726 nan 8.210 nan 0.000 0.458 154 I N 1.949 122.451 120.570 -0.114 0.000 3.264 154 I HA 0.926 5.097 4.170 0.001 0.000 0.309 154 I C 0.270 176.241 176.117 -0.244 0.000 1.099 154 I CA -0.902 60.251 61.300 -0.244 0.000 0.989 154 I CB 1.860 39.603 38.000 -0.428 0.000 1.250 154 I HN 0.419 nan 8.210 nan 0.000 0.478 155 G N 0.907 109.513 108.800 -0.323 0.000 2.477 155 G HA2 0.398 4.359 3.960 0.001 0.000 0.304 155 G HA3 0.398 4.359 3.960 0.001 0.000 0.304 155 G C -0.792 174.118 174.900 0.016 0.000 1.175 155 G CA -0.671 44.333 45.100 -0.160 0.000 0.907 155 G HN 0.736 nan 8.290 nan 0.000 0.509 156 Q N -0.609 119.231 119.800 0.065 0.000 2.395 156 Q HA 0.107 4.447 4.340 0.001 0.000 0.271 156 Q C 0.589 176.636 176.000 0.079 0.000 1.026 156 Q CA 0.326 56.156 55.803 0.045 0.000 0.900 156 Q CB 0.617 29.373 28.738 0.029 0.000 1.266 156 Q HN 0.493 nan 8.270 nan 0.000 0.430 157 T N 0.128 114.699 114.554 0.029 0.000 3.272 157 T HA -0.020 4.330 4.350 0.001 0.000 0.250 157 T C 1.144 175.844 174.700 0.000 0.000 1.082 157 T CA 0.478 62.586 62.100 0.015 0.000 0.968 157 T CB -0.274 68.595 68.868 0.001 0.000 1.015 157 T HN 0.869 nan 8.240 nan 0.000 0.563 158 S N 0.701 116.405 115.700 0.007 0.000 2.879 158 S HA -0.287 4.183 4.470 0.001 0.000 0.280 158 S C 1.218 175.818 174.600 -0.000 0.000 1.317 158 S CA 1.566 59.766 58.200 -0.001 0.000 1.310 158 S CB -2.465 60.724 63.200 -0.019 0.000 1.616 158 S HN 0.794 nan 8.310 nan 0.000 0.717 159 S N 0.476 116.177 115.700 0.000 0.000 2.572 159 S HA 0.583 5.053 4.470 0.001 0.000 0.228 159 S C 0.269 174.874 174.600 0.008 0.000 0.963 159 S CA -0.501 57.700 58.200 0.001 0.000 0.939 159 S CB -0.087 63.110 63.200 -0.005 0.000 0.804 159 S HN 0.622 nan 8.310 nan 0.000 0.480 160 L N 2.450 123.680 121.223 0.012 0.000 2.257 160 L HA 0.558 4.898 4.340 0.001 0.000 0.290 160 L C 0.615 177.498 176.870 0.022 0.000 1.044 160 L CA -0.508 54.342 54.840 0.016 0.000 0.810 160 L CB 0.769 42.836 42.059 0.013 0.000 1.193 160 L HN 0.359 nan 8.230 nan 0.000 0.425 161 A N 4.903 127.741 122.820 0.030 0.000 2.203 161 A HA -0.133 4.187 4.320 0.001 0.000 0.279 161 A C -1.358 176.257 177.584 0.053 0.000 1.396 161 A CA 0.128 52.193 52.037 0.045 0.000 0.747 161 A CB -1.144 17.886 19.000 0.050 0.000 1.151 161 A HN 0.712 nan 8.150 nan 0.000 0.345 162 P HA -0.059 nan 4.420 nan 0.000 0.221 162 P C 1.484 178.824 177.300 0.066 0.000 1.150 162 P CA 1.295 64.422 63.100 0.045 0.000 0.800 162 P CB -0.009 31.706 31.700 0.026 0.000 0.787 163 A N 0.730 123.595 122.820 0.075 0.000 2.019 163 A HA -0.206 4.115 4.320 0.001 0.000 0.219 163 A C 2.111 179.807 177.584 0.187 0.000 1.164 163 A CA 2.066 54.160 52.037 0.095 0.000 0.644 163 A CB -1.541 17.513 19.000 0.089 0.000 0.805 163 A HN 0.158 nan 8.150 nan 0.000 0.449 164 D N -0.550 119.965 120.400 0.190 0.000 2.269 164 D HA -0.124 4.516 4.640 0.001 0.000 0.208 164 D C 1.824 178.257 176.300 0.221 0.000 0.963 164 D CA 1.280 55.422 54.000 0.236 0.000 0.864 164 D CB -0.034 40.856 40.800 0.149 0.000 0.936 164 D HN 0.345 nan 8.370 nan 0.000 0.505 165 K N 0.594 121.087 120.400 0.155 0.000 2.026 165 K HA -0.074 4.247 4.320 0.001 0.000 0.208 165 K C 2.146 178.849 176.600 0.173 0.000 1.048 165 K CA 1.291 57.658 56.287 0.134 0.000 0.929 165 K CB -0.178 32.371 32.500 0.082 0.000 0.713 165 K HN 0.018 nan 8.250 nan 0.000 0.439 166 R N -1.298 119.300 120.500 0.164 0.000 2.210 166 R HA 0.025 4.365 4.340 0.001 0.000 0.203 166 R C 1.861 178.303 176.300 0.238 0.000 1.010 166 R CA 0.320 56.511 56.100 0.152 0.000 1.008 166 R CB -0.156 30.193 30.300 0.080 0.000 0.923 166 R HN 0.202 nan 8.270 nan 0.000 0.469 167 F N 0.403 120.416 119.950 0.106 0.000 2.128 167 F HA -0.173 4.355 4.527 0.001 0.000 0.295 167 F C 1.745 177.609 175.800 0.107 0.000 1.100 167 F CA 0.981 59.047 58.000 0.109 0.000 1.260 167 F CB -0.946 38.126 39.000 0.121 0.000 1.009 167 F HN -0.014 nan 8.300 nan 0.000 0.476 168 Y N 0.661 121.081 120.300 0.200 0.000 2.181 168 Y HA -0.104 4.446 4.550 0.001 0.000 0.288 168 Y C 2.443 178.398 175.900 0.090 0.000 1.146 168 Y CA 1.846 59.987 58.100 0.068 0.000 1.164 168 Y CB -0.765 37.720 38.460 0.041 0.000 0.982 168 Y HN 0.061 nan 8.280 nan 0.000 0.515 169 A N -0.175 122.771 122.820 0.211 0.000 1.884 169 A HA -0.330 3.990 4.320 0.001 0.000 0.219 169 A C 2.358 179.957 177.584 0.024 0.000 1.197 169 A CA 3.225 55.334 52.037 0.121 0.000 0.637 169 A CB -1.720 17.360 19.000 0.133 0.000 0.827 169 A HN 0.626 nan 8.150 nan 0.000 0.450 170 T N -2.277 112.319 114.554 0.069 0.000 2.777 170 T HA -0.167 4.183 4.350 0.001 0.000 0.266 170 T C 1.963 176.659 174.700 -0.007 0.000 1.040 170 T CA 1.396 63.528 62.100 0.054 0.000 1.141 170 T CB -0.416 68.522 68.868 0.116 0.000 0.868 170 T HN 0.512 nan 8.240 nan 0.000 0.444 171 R N 0.992 121.467 120.500 -0.043 0.000 2.105 171 R HA -0.076 4.264 4.340 0.001 0.000 0.239 171 R C 2.314 178.461 176.300 -0.255 0.000 1.135 171 R CA 1.624 57.633 56.100 -0.152 0.000 0.967 171 R CB -0.509 29.631 30.300 -0.266 0.000 0.861 171 R HN 0.437 nan 8.270 nan 0.000 0.442 172 D N 0.513 120.697 120.400 -0.361 0.000 2.310 172 D HA -0.097 4.544 4.640 0.001 0.000 0.212 172 D C 1.398 177.619 176.300 -0.131 0.000 0.965 172 D CA 0.780 54.594 54.000 -0.311 0.000 0.879 172 D CB 0.212 40.841 40.800 -0.284 0.000 0.921 172 D HN 0.453 nan 8.370 nan 0.000 0.510 173 I N -3.598 116.918 120.570 -0.091 0.000 4.154 173 I HA 0.272 4.442 4.170 0.001 0.000 0.334 173 I C 0.662 176.750 176.117 -0.049 0.000 1.371 173 I CA 0.175 61.445 61.300 -0.050 0.000 1.110 173 I CB 0.484 38.472 38.000 -0.021 0.000 1.085 173 I HN -0.135 nan 8.210 nan 0.000 0.398 174 T N -2.302 112.213 114.554 -0.066 0.000 3.091 174 T HA 0.598 4.949 4.350 0.001 0.000 0.277 174 T C 1.077 175.713 174.700 -0.106 0.000 0.996 174 T CA 0.311 62.374 62.100 -0.061 0.000 0.897 174 T CB 0.645 69.496 68.868 -0.030 0.000 1.109 174 T HN 0.752 nan 8.240 nan 0.000 0.534 175 A N 1.284 124.025 122.820 -0.131 0.000 2.887 175 A HA -0.172 4.148 4.320 0.001 0.000 0.257 175 A C 1.220 178.641 177.584 -0.271 0.000 1.372 175 A CA 1.290 53.214 52.037 -0.188 0.000 0.879 175 A CB -2.753 16.126 19.000 -0.202 0.000 1.082 175 A HN 1.347 nan 8.150 nan 0.000 0.703 176 T N -2.947 111.494 114.554 -0.189 0.000 3.269 176 T HA 0.496 4.846 4.350 0.001 0.000 0.269 176 T C 1.196 175.851 174.700 -0.075 0.000 0.993 176 T CA 0.503 62.518 62.100 -0.140 0.000 0.909 176 T CB -0.156 68.680 68.868 -0.052 0.000 1.115 176 T HN 0.916 nan 8.240 nan 0.000 0.543 177 V N 0.635 120.487 119.914 -0.103 0.000 2.300 177 V HA 0.036 4.157 4.120 0.001 0.000 0.241 177 V C 1.425 177.516 176.094 -0.004 0.000 1.034 177 V CA 0.840 63.083 62.300 -0.095 0.000 1.021 177 V CB -0.782 30.975 31.823 -0.110 0.000 0.662 177 V HN 0.709 nan 8.190 nan 0.000 0.458 178 D N 1.738 122.153 120.400 0.026 0.000 2.489 178 D HA 0.128 4.768 4.640 0.001 0.000 0.237 178 D C -0.020 176.342 176.300 0.104 0.000 1.212 178 D CA 0.555 54.577 54.000 0.037 0.000 1.058 178 D CB 0.854 41.672 40.800 0.029 0.000 1.098 178 D HN 0.318 nan 8.370 nan 0.000 0.509 179 S N 3.043 118.746 115.700 0.006 0.000 2.680 179 S HA 0.163 4.633 4.470 0.001 0.000 0.262 179 S C 1.305 175.853 174.600 -0.085 0.000 1.138 179 S CA -0.777 57.376 58.200 -0.080 0.000 1.072 179 S CB 0.429 63.627 63.200 -0.003 0.000 1.097 179 S HN 0.216 nan 8.310 nan 0.000 0.468 180 I N 5.645 126.145 120.570 -0.117 0.000 2.121 180 I HA -0.140 4.031 4.170 0.001 0.000 0.243 180 I C -0.400 175.690 176.117 -0.045 0.000 1.047 180 I CA 1.814 63.066 61.300 -0.079 0.000 1.308 180 I CB -2.317 35.628 38.000 -0.092 0.000 1.015 180 I HN 0.549 nan 8.210 nan 0.000 0.410 181 P HA -0.149 nan 4.420 nan 0.000 0.218 181 P C 2.258 179.548 177.300 -0.016 0.000 1.148 181 P CA 1.554 64.641 63.100 -0.022 0.000 0.822 181 P CB -0.036 31.653 31.700 -0.018 0.000 0.784 182 L N -0.947 120.251 121.223 -0.041 0.000 2.044 182 L HA -0.090 4.251 4.340 0.001 0.000 0.205 182 L C 2.882 179.723 176.870 -0.049 0.000 1.075 182 L CA 1.208 55.992 54.840 -0.093 0.000 0.747 182 L CB -0.775 41.190 42.059 -0.156 0.000 0.903 182 L HN -0.149 nan 8.230 nan 0.000 0.435 183 I N 0.079 120.652 120.570 0.005 0.000 2.127 183 I HA -0.306 3.865 4.170 0.001 0.000 0.241 183 I C 2.820 178.987 176.117 0.085 0.000 1.075 183 I CA 2.006 63.359 61.300 0.089 0.000 1.334 183 I CB -0.826 37.251 38.000 0.128 0.000 1.040 183 I HN 0.444 nan 8.210 nan 0.000 0.405 184 T N -0.193 114.394 114.554 0.055 0.000 2.684 184 T HA -0.186 4.164 4.350 0.001 0.000 0.267 184 T C 2.040 176.772 174.700 0.053 0.000 1.036 184 T CA 1.235 63.367 62.100 0.053 0.000 1.148 184 T CB -0.641 68.246 68.868 0.032 0.000 0.863 184 T HN 0.360 nan 8.240 nan 0.000 0.436 185 A N 1.491 124.335 122.820 0.041 0.000 1.865 185 A HA -0.057 4.264 4.320 0.001 0.000 0.217 185 A C 2.781 180.399 177.584 0.056 0.000 1.191 185 A CA 2.526 54.593 52.037 0.049 0.000 0.623 185 A CB -1.487 17.543 19.000 0.049 0.000 0.826 185 A HN 0.613 nan 8.150 nan 0.000 0.444 186 S N -0.500 115.225 115.700 0.041 0.000 2.359 186 S HA -0.140 4.331 4.470 0.001 0.000 0.224 186 S C 1.954 176.588 174.600 0.057 0.000 1.035 186 S CA 1.540 59.768 58.200 0.047 0.000 1.018 186 S CB -0.515 62.711 63.200 0.044 0.000 0.876 186 S HN 0.466 nan 8.310 nan 0.000 0.448 187 I N 1.136 121.751 120.570 0.074 0.000 2.179 187 I HA -0.130 4.041 4.170 0.001 0.000 0.242 187 I C 2.008 178.225 176.117 0.166 0.000 1.088 187 I CA 0.888 62.262 61.300 0.122 0.000 1.357 187 I CB -0.268 37.779 38.000 0.079 0.000 1.051 187 I HN 0.340 nan 8.210 nan 0.000 0.409 188 L N 0.463 121.756 121.223 0.116 0.000 2.217 188 L HA -0.059 4.281 4.340 0.001 0.000 0.211 188 L C 2.808 179.705 176.870 0.045 0.000 1.107 188 L CA 1.499 56.394 54.840 0.092 0.000 0.783 188 L CB -1.890 40.215 42.059 0.076 0.000 0.919 188 L HN 0.189 nan 8.230 nan 0.000 0.442 189 A N 1.874 124.724 122.820 0.049 0.000 1.879 189 A HA -0.340 3.980 4.320 0.001 0.000 0.222 189 A C 2.312 179.909 177.584 0.022 0.000 1.368 189 A CA 3.099 55.162 52.037 0.043 0.000 0.707 189 A CB -0.783 18.250 19.000 0.055 0.000 0.846 189 A HN 0.577 nan 8.150 nan 0.000 0.468 190 K N -1.346 119.054 120.400 -0.001 0.000 2.148 190 K HA -0.128 4.192 4.320 0.001 0.000 0.204 190 K C 1.919 178.493 176.600 -0.043 0.000 1.050 190 K CA 1.646 57.922 56.287 -0.019 0.000 0.942 190 K CB -0.179 32.299 32.500 -0.037 0.000 0.724 190 K HN 0.266 nan 8.250 nan 0.000 0.446 191 K N 1.702 122.041 120.400 -0.101 0.000 2.097 191 K HA 0.037 4.358 4.320 0.001 0.000 0.205 191 K C 1.924 178.509 176.600 -0.025 0.000 1.050 191 K CA 1.068 57.276 56.287 -0.131 0.000 0.938 191 K CB -0.197 32.131 32.500 -0.286 0.000 0.718 191 K HN 0.250 nan 8.250 nan 0.000 0.442 192 L N -0.208 121.019 121.223 0.007 0.000 2.395 192 L HA 0.071 4.411 4.340 0.001 0.000 0.218 192 L C 1.857 178.761 176.870 0.056 0.000 1.130 192 L CA 0.670 55.533 54.840 0.038 0.000 0.826 192 L CB -0.383 41.701 42.059 0.042 0.000 0.941 192 L HN 0.116 nan 8.230 nan 0.000 0.451 193 A N -0.106 122.743 122.820 0.047 0.000 2.255 193 A HA -0.084 4.236 4.320 0.001 0.000 0.206 193 A C 1.790 179.431 177.584 0.094 0.000 1.193 193 A CA 0.725 52.796 52.037 0.057 0.000 0.794 193 A CB -0.401 18.623 19.000 0.039 0.000 0.794 193 A HN 0.478 nan 8.150 nan 0.000 0.481 194 E N -1.223 119.059 120.200 0.136 0.000 2.452 194 E HA 0.277 4.628 4.350 0.001 0.000 0.197 194 E C 0.867 177.690 176.600 0.371 0.000 1.022 194 E CA 0.205 56.762 56.400 0.261 0.000 0.890 194 E CB 0.136 29.982 29.700 0.243 0.000 0.918 194 E HN 0.663 nan 8.360 nan 0.000 0.496 195 G N 2.251 111.188 108.800 0.228 0.000 2.291 195 G HA2 -0.254 3.707 3.960 0.001 0.000 0.271 195 G HA3 -0.254 3.707 3.960 0.001 0.000 0.271 195 G C -0.026 175.012 174.900 0.230 0.000 1.099 195 G CA -0.209 45.032 45.100 0.236 0.000 0.919 195 G HN 0.089 nan 8.290 nan 0.000 0.496 196 L N -0.490 120.816 121.223 0.138 0.000 2.436 196 L HA 0.380 4.720 4.340 0.001 0.000 0.265 196 L C 1.160 178.069 176.870 0.065 0.000 1.168 196 L CA -0.663 54.224 54.840 0.079 0.000 0.815 196 L CB 0.487 42.577 42.059 0.052 0.000 1.109 196 L HN 0.054 nan 8.230 nan 0.000 0.462 197 D N 0.533 120.958 120.400 0.040 0.000 2.323 197 D HA 0.219 4.859 4.640 0.001 0.000 0.218 197 D C 0.171 176.487 176.300 0.028 0.000 0.973 197 D CA 0.659 54.681 54.000 0.037 0.000 0.890 197 D CB 0.677 41.495 40.800 0.031 0.000 1.011 197 D HN 0.554 nan 8.370 nan 0.000 0.499 198 A N 0.403 123.235 122.820 0.019 0.000 2.459 198 A HA 0.578 4.899 4.320 0.001 0.000 0.296 198 A C -1.481 176.111 177.584 0.013 0.000 1.039 198 A CA -0.512 51.534 52.037 0.015 0.000 0.698 198 A CB 1.458 20.463 19.000 0.008 0.000 1.261 198 A HN 0.080 nan 8.150 nan 0.000 0.405 199 L N 2.055 123.289 121.223 0.019 0.000 2.279 199 L HA 0.941 5.281 4.340 0.001 0.000 0.262 199 L C -1.141 175.742 176.870 0.022 0.000 1.019 199 L CA -0.758 54.096 54.840 0.024 0.000 0.823 199 L CB 2.190 44.271 42.059 0.037 0.000 1.358 199 L HN 1.025 nan 8.230 nan 0.000 0.432 200 V N 4.111 124.042 119.914 0.028 0.000 2.614 200 V HA 0.406 4.526 4.120 0.001 0.000 0.281 200 V C -0.917 175.193 176.094 0.027 0.000 1.031 200 V CA -0.496 61.815 62.300 0.019 0.000 0.899 200 V CB 1.515 33.340 31.823 0.003 0.000 1.037 200 V HN 0.770 nan 8.190 nan 0.000 0.456 201 M N 4.290 123.903 119.600 0.022 0.000 2.233 201 M HA 0.404 4.885 4.480 0.001 0.000 0.350 201 M C -0.353 175.933 176.300 -0.024 0.000 1.176 201 M CA 0.225 55.526 55.300 0.002 0.000 1.150 201 M CB 1.084 33.678 32.600 -0.009 0.000 1.530 201 M HN 0.815 nan 8.290 nan 0.000 0.459 202 D N 3.572 123.940 120.400 -0.052 0.000 2.462 202 D HA 0.312 4.952 4.640 0.001 0.000 0.249 202 D C -1.219 175.041 176.300 -0.066 0.000 1.117 202 D CA -0.367 53.605 54.000 -0.047 0.000 0.900 202 D CB 0.535 41.308 40.800 -0.045 0.000 1.039 202 D HN 0.228 nan 8.370 nan 0.000 0.516 203 V N 4.476 124.359 119.914 -0.052 0.000 2.372 203 V HA 0.187 4.307 4.120 0.001 0.000 0.261 203 V C 0.719 176.789 176.094 -0.041 0.000 1.055 203 V CA -0.658 61.611 62.300 -0.052 0.000 0.930 203 V CB 0.337 32.123 31.823 -0.061 0.000 1.031 203 V HN 0.302 nan 8.190 nan 0.000 0.479 204 K N 3.491 123.878 120.400 -0.023 0.000 2.414 204 K HA 0.387 4.707 4.320 0.001 0.000 0.272 204 K C -0.457 176.126 176.600 -0.028 0.000 0.993 204 K CA 0.238 56.523 56.287 -0.003 0.000 0.964 204 K CB 0.864 33.372 32.500 0.013 0.000 0.925 204 K HN 0.464 nan 8.250 nan 0.000 0.487 205 V N 1.811 121.706 119.914 -0.032 0.000 2.709 205 V HA 0.825 4.945 4.120 0.001 0.000 0.308 205 V C 0.340 176.418 176.094 -0.027 0.000 1.062 205 V CA 0.129 62.369 62.300 -0.100 0.000 0.901 205 V CB 1.321 32.966 31.823 -0.297 0.000 1.003 205 V HN 0.955 nan 8.190 nan 0.000 0.425 206 G N 3.024 111.818 108.800 -0.010 0.000 2.280 206 G HA2 -0.027 3.933 3.960 0.001 0.000 0.277 206 G HA3 -0.027 3.933 3.960 0.001 0.000 0.277 206 G C 0.218 175.140 174.900 0.036 0.000 1.288 206 G CA -0.030 45.087 45.100 0.029 0.000 1.075 206 G HN 0.994 nan 8.290 nan 0.000 0.480 207 S N 0.457 116.185 115.700 0.046 0.000 3.009 207 S HA 0.440 4.911 4.470 0.001 0.000 0.243 207 S C 1.310 175.944 174.600 0.057 0.000 1.012 207 S CA 1.354 59.581 58.200 0.044 0.000 1.113 207 S CB -1.012 62.213 63.200 0.042 0.000 0.827 207 S HN 2.234 nan 8.310 nan 0.000 0.495 208 G N -0.438 108.401 108.800 0.066 0.000 4.636 208 G HA2 0.431 4.391 3.960 0.001 0.000 0.212 208 G HA3 0.431 4.391 3.960 0.001 0.000 0.212 208 G C -0.042 174.916 174.900 0.098 0.000 0.829 208 G CA 0.155 45.311 45.100 0.095 0.000 0.833 208 G HN 0.648 nan 8.290 nan 0.000 0.510 209 A N -0.196 122.671 122.820 0.077 0.000 2.272 209 A HA 0.685 5.005 4.320 0.001 0.000 0.275 209 A C 0.895 178.570 177.584 0.151 0.000 1.096 209 A CA -0.378 51.709 52.037 0.084 0.000 0.822 209 A CB 0.577 19.596 19.000 0.031 0.000 1.088 209 A HN 0.555 nan 8.150 nan 0.000 0.495 210 F N 0.517 120.452 119.950 -0.025 0.000 2.146 210 F HA 0.033 4.560 4.527 0.000 0.000 0.298 210 F C 0.802 176.590 175.800 -0.020 0.000 1.096 210 F CA 0.963 58.951 58.000 -0.019 0.000 1.275 210 F CB -0.159 38.815 39.000 -0.044 0.000 1.008 210 F HN 0.298 nan 8.300 nan 0.000 0.480 211 M N 1.337 120.883 119.600 -0.090 0.000 2.342 211 M HA 0.228 4.708 4.480 0.001 0.000 0.332 211 M C -1.155 175.085 176.300 -0.100 0.000 1.166 211 M CA -2.632 52.547 55.300 -0.201 0.000 1.086 211 M CB -0.166 32.326 32.600 -0.181 0.000 1.541 211 M HN -0.127 nan 8.290 nan 0.000 0.462 212 P HA -0.023 nan 4.420 nan 0.000 0.215 212 P C 0.331 177.612 177.300 -0.033 0.000 1.160 212 P CA 1.070 64.139 63.100 -0.053 0.000 0.869 212 P CB -0.111 31.556 31.700 -0.055 0.000 0.782 213 T N -4.107 110.425 114.554 -0.037 0.000 2.928 213 T HA 0.198 4.548 4.350 0.001 0.000 0.284 213 T C 0.856 175.559 174.700 0.006 0.000 1.008 213 T CA -0.668 61.431 62.100 -0.002 0.000 1.057 213 T CB 0.900 69.769 68.868 0.002 0.000 1.018 213 T HN -0.034 nan 8.240 nan 0.000 0.493 214 Y N 1.996 122.240 120.300 -0.094 0.000 2.207 214 Y HA -0.151 4.399 4.550 0.001 0.000 0.287 214 Y C 2.248 178.089 175.900 -0.097 0.000 1.156 214 Y CA 2.035 60.060 58.100 -0.125 0.000 1.182 214 Y CB -0.257 38.113 38.460 -0.150 0.000 0.979 214 Y HN 0.743 nan 8.280 nan 0.000 0.521 215 E N -0.092 120.194 120.200 0.143 0.000 2.085 215 E HA -0.194 4.157 4.350 0.001 0.000 0.194 215 E C 2.138 178.703 176.600 -0.058 0.000 0.994 215 E CA 1.023 57.464 56.400 0.068 0.000 0.801 215 E CB -0.684 29.051 29.700 0.058 0.000 0.743 215 E HN 0.407 nan 8.360 nan 0.000 0.453 216 L N 1.337 122.513 121.223 -0.079 0.000 2.072 216 L HA -0.040 4.300 4.340 0.001 0.000 0.205 216 L C 2.366 179.145 176.870 -0.152 0.000 1.079 216 L CA 1.301 56.073 54.840 -0.113 0.000 0.752 216 L CB -1.179 40.811 42.059 -0.115 0.000 0.906 216 L HN -0.015 nan 8.230 nan 0.000 0.436 217 S N -0.651 114.931 115.700 -0.197 0.000 2.348 217 S HA -0.247 4.223 4.470 0.001 0.000 0.221 217 S C 1.879 176.330 174.600 -0.249 0.000 1.033 217 S CA 1.419 59.486 58.200 -0.222 0.000 1.010 217 S CB -0.234 62.788 63.200 -0.297 0.000 0.891 217 S HN 0.483 nan 8.310 nan 0.000 0.442 218 E N 1.237 121.216 120.200 -0.368 0.000 2.118 218 E HA -0.190 4.160 4.350 0.001 0.000 0.195 218 E C 2.066 178.578 176.600 -0.147 0.000 0.992 218 E CA 1.089 57.310 56.400 -0.298 0.000 0.804 218 E CB -0.258 29.249 29.700 -0.321 0.000 0.741 218 E HN 0.489 nan 8.360 nan 0.000 0.458 219 A N 0.677 123.422 122.820 -0.124 0.000 1.930 219 A HA -0.148 4.172 4.320 0.001 0.000 0.217 219 A C 2.094 179.633 177.584 -0.075 0.000 1.175 219 A CA 1.209 53.195 52.037 -0.084 0.000 0.627 219 A CB -0.560 18.390 19.000 -0.084 0.000 0.815 219 A HN 0.376 nan 8.150 nan 0.000 0.443 220 L N -0.273 120.900 121.223 -0.084 0.000 2.027 220 L HA 0.009 4.349 4.340 0.001 0.000 0.206 220 L C 2.709 179.556 176.870 -0.037 0.000 1.074 220 L CA 2.135 56.944 54.840 -0.051 0.000 0.745 220 L CB -0.825 41.213 42.059 -0.036 0.000 0.898 220 L HN 0.327 nan 8.230 nan 0.000 0.433 221 A N -0.933 121.853 122.820 -0.057 0.000 1.940 221 A HA -0.246 4.074 4.320 0.001 0.000 0.219 221 A C 2.185 179.750 177.584 -0.031 0.000 1.176 221 A CA 1.987 53.996 52.037 -0.047 0.000 0.631 221 A CB -0.614 18.343 19.000 -0.071 0.000 0.814 221 A HN 0.630 nan 8.150 nan 0.000 0.446 222 E N -0.603 119.575 120.200 -0.036 0.000 2.107 222 E HA -0.005 4.345 4.350 0.001 0.000 0.191 222 E C 2.275 178.867 176.600 -0.014 0.000 0.982 222 E CA 0.739 57.126 56.400 -0.022 0.000 0.809 222 E CB -0.210 29.476 29.700 -0.024 0.000 0.756 222 E HN 0.624 nan 8.360 nan 0.000 0.459 223 A N 0.932 123.741 122.820 -0.018 0.000 1.968 223 A HA -0.107 4.213 4.320 0.001 0.000 0.217 223 A C 2.090 179.676 177.584 0.002 0.000 1.169 223 A CA 0.783 52.814 52.037 -0.010 0.000 0.638 223 A CB -0.365 18.624 19.000 -0.018 0.000 0.812 223 A HN 0.121 nan 8.150 nan 0.000 0.446 224 I N -0.568 120.005 120.570 0.005 0.000 2.286 224 I HA -0.168 4.003 4.170 0.001 0.000 0.245 224 I C 2.234 178.362 176.117 0.019 0.000 1.104 224 I CA 0.885 62.196 61.300 0.018 0.000 1.397 224 I CB -0.164 37.846 38.000 0.018 0.000 1.072 224 I HN 0.130 nan 8.210 nan 0.000 0.417 225 V N 0.980 120.900 119.914 0.010 0.000 2.490 225 V HA -0.188 3.933 4.120 0.001 0.000 0.250 225 V C 2.474 178.575 176.094 0.013 0.000 1.061 225 V CA 2.014 64.321 62.300 0.012 0.000 1.064 225 V CB -1.274 30.552 31.823 0.006 0.000 0.670 225 V HN 0.569 nan 8.190 nan 0.000 0.461 226 G N 0.538 109.344 108.800 0.010 0.000 2.404 226 G HA2 -0.188 3.772 3.960 0.001 0.000 0.214 226 G HA3 -0.188 3.772 3.960 0.001 0.000 0.214 226 G C 1.764 176.674 174.900 0.016 0.000 1.189 226 G CA 1.370 46.476 45.100 0.011 0.000 0.789 226 G HN 0.540 nan 8.290 nan 0.000 0.533 227 V N -0.579 119.346 119.914 0.019 0.000 2.427 227 V HA 0.120 4.240 4.120 0.001 0.000 0.248 227 V C 2.927 179.040 176.094 0.030 0.000 1.051 227 V CA 1.890 64.205 62.300 0.026 0.000 1.048 227 V CB -1.010 30.830 31.823 0.030 0.000 0.666 227 V HN 0.418 nan 8.190 nan 0.000 0.456 228 A N 1.299 124.138 122.820 0.032 0.000 1.865 228 A HA -0.233 4.087 4.320 0.001 0.000 0.217 228 A C 2.174 179.776 177.584 0.031 0.000 1.191 228 A CA 2.241 54.299 52.037 0.035 0.000 0.623 228 A CB -1.076 17.947 19.000 0.037 0.000 0.826 228 A HN 0.640 nan 8.150 nan 0.000 0.444 229 N N -0.150 118.565 118.700 0.025 0.000 2.223 229 N HA -0.126 4.614 4.740 0.001 0.000 0.185 229 N C 1.771 177.295 175.510 0.023 0.000 1.016 229 N CA 1.323 54.386 53.050 0.023 0.000 0.863 229 N CB -0.453 38.045 38.487 0.018 0.000 0.983 229 N HN 0.524 nan 8.380 nan 0.000 0.429 230 G N 0.348 109.162 108.800 0.023 0.000 2.471 230 G HA2 -0.055 3.905 3.960 0.001 0.000 0.219 230 G HA3 -0.055 3.905 3.960 0.001 0.000 0.219 230 G C 1.438 176.354 174.900 0.027 0.000 1.125 230 G CA 0.743 45.857 45.100 0.023 0.000 0.775 230 G HN 0.381 nan 8.290 nan 0.000 0.548 231 A N -0.594 122.245 122.820 0.030 0.000 2.208 231 A HA 0.478 4.798 4.320 0.001 0.000 0.209 231 A C 2.044 179.648 177.584 0.034 0.000 1.161 231 A CA 1.336 53.393 52.037 0.034 0.000 0.782 231 A CB -0.271 18.753 19.000 0.039 0.000 0.816 231 A HN 1.468 nan 8.150 nan 0.000 0.477 232 G N -1.980 106.839 108.800 0.031 0.000 2.213 232 G HA2 -0.195 3.766 3.960 0.001 0.000 0.226 232 G HA3 -0.195 3.766 3.960 0.001 0.000 0.226 232 G C 0.184 175.103 174.900 0.032 0.000 0.992 232 G CA 0.031 45.149 45.100 0.031 0.000 0.632 232 G HN 0.727 nan 8.290 nan 0.000 0.511 233 V N 2.586 122.520 119.914 0.034 0.000 2.432 233 V HA 0.331 4.451 4.120 0.001 0.000 0.271 233 V C 1.161 177.272 176.094 0.028 0.000 1.046 233 V CA -0.440 61.881 62.300 0.034 0.000 0.945 233 V CB 1.060 32.906 31.823 0.038 0.000 0.992 233 V HN 0.349 nan 8.190 nan 0.000 0.471 234 R N 3.697 124.212 120.500 0.025 0.000 2.413 234 R HA 0.231 4.571 4.340 0.001 0.000 0.333 234 R C -0.063 176.248 176.300 0.019 0.000 1.074 234 R CA 0.087 56.198 56.100 0.019 0.000 0.982 234 R CB -0.061 30.249 30.300 0.016 0.000 0.981 234 R HN 0.683 nan 8.270 nan 0.000 0.452 235 T N 1.332 115.897 114.554 0.019 0.000 2.912 235 T HA 0.491 4.841 4.350 0.001 0.000 0.288 235 T C 0.173 174.882 174.700 0.015 0.000 1.030 235 T CA -0.731 61.381 62.100 0.020 0.000 1.020 235 T CB 2.026 70.910 68.868 0.026 0.000 1.056 235 T HN 0.581 nan 8.240 nan 0.000 0.480 236 T N -1.255 113.306 114.554 0.013 0.000 2.865 236 T HA 0.887 5.237 4.350 0.001 0.000 0.294 236 T C -1.034 173.670 174.700 0.007 0.000 1.119 236 T CA -1.021 61.084 62.100 0.009 0.000 1.007 236 T CB 1.870 70.742 68.868 0.006 0.000 1.225 236 T HN 0.867 nan 8.240 nan 0.000 0.515 237 A N 0.551 123.373 122.820 0.003 0.000 2.515 237 A HA 0.878 5.198 4.320 0.001 0.000 0.296 237 A C -1.900 175.684 177.584 0.000 0.000 1.094 237 A CA -0.840 51.195 52.037 -0.003 0.000 0.718 237 A CB 1.580 20.573 19.000 -0.011 0.000 1.307 237 A HN 0.759 nan 8.150 nan 0.000 0.408 238 L N 0.377 121.599 121.223 -0.001 0.000 2.431 238 L HA 0.577 4.917 4.340 0.001 0.000 0.266 238 L C -1.320 175.562 176.870 0.020 0.000 0.978 238 L CA -0.170 54.680 54.840 0.018 0.000 0.822 238 L CB 1.998 44.068 42.059 0.019 0.000 1.310 238 L HN 0.610 nan 8.230 nan 0.000 0.409 239 L N 2.682 123.939 121.223 0.056 0.000 2.257 239 L HA 0.597 4.938 4.340 0.001 0.000 0.290 239 L C 0.101 177.108 176.870 0.229 0.000 1.044 239 L CA 0.374 55.246 54.840 0.054 0.000 0.810 239 L CB 1.284 43.333 42.059 -0.016 0.000 1.193 239 L HN 0.550 nan 8.230 nan 0.000 0.425 240 T N 1.470 116.127 114.554 0.172 0.000 2.885 240 T HA 0.210 4.560 4.350 0.001 0.000 0.285 240 T C -0.701 174.174 174.700 0.290 0.000 1.019 240 T CA -0.561 61.677 62.100 0.230 0.000 1.010 240 T CB 1.449 70.375 68.868 0.096 0.000 1.022 240 T HN 0.486 nan 8.240 nan 0.000 0.466 241 D N 1.781 122.414 120.400 0.388 0.000 2.417 241 D HA 0.218 4.858 4.640 0.001 0.000 0.250 241 D C -0.091 176.315 176.300 0.177 0.000 1.166 241 D CA 0.139 54.366 54.000 0.379 0.000 0.881 241 D CB 0.471 41.447 40.800 0.293 0.000 1.164 241 D HN 0.216 nan 8.370 nan 0.000 0.467 242 M N 3.378 123.061 119.600 0.139 0.000 3.718 242 M HA 0.318 4.798 4.480 0.001 0.000 0.421 242 M C -1.044 175.306 176.300 0.083 0.000 1.795 242 M CA -0.168 55.185 55.300 0.089 0.000 0.603 242 M CB 0.042 32.680 32.600 0.064 0.000 1.428 242 M HN 0.310 nan 8.290 nan 0.000 0.514 243 N N 0.569 119.324 118.700 0.093 0.000 2.214 243 N HA 0.246 4.986 4.740 0.001 0.000 0.214 243 N C -0.845 174.705 175.510 0.066 0.000 1.132 243 N CA -0.161 52.936 53.050 0.078 0.000 0.856 243 N CB 0.538 39.079 38.487 0.089 0.000 1.020 243 N HN 0.606 nan 8.380 nan 0.000 0.509 244 Q N -1.838 118.001 119.800 0.065 0.000 2.776 244 Q HA 0.201 4.541 4.340 0.001 0.000 0.289 244 Q C -0.940 175.094 176.000 0.056 0.000 0.912 244 Q CA -1.150 54.686 55.803 0.055 0.000 0.789 244 Q CB 0.983 29.753 28.738 0.053 0.000 1.498 244 Q HN -0.083 nan 8.270 nan 0.000 0.408 245 V N 0.730 120.675 119.914 0.053 0.000 2.540 245 V HA 0.041 4.161 4.120 0.001 0.000 0.297 245 V C 1.028 177.155 176.094 0.055 0.000 1.024 245 V CA -0.158 62.176 62.300 0.056 0.000 1.105 245 V CB 0.606 32.469 31.823 0.067 0.000 0.938 245 V HN 0.884 nan 8.190 nan 0.000 0.482 246 L N 5.411 126.660 121.223 0.043 0.000 1.989 246 L HA 0.166 4.506 4.340 0.001 0.000 0.211 246 L C 1.653 178.552 176.870 0.048 0.000 1.071 246 L CA 2.461 57.324 54.840 0.039 0.000 0.749 246 L CB -0.770 41.297 42.059 0.014 0.000 0.890 246 L HN 1.050 nan 8.230 nan 0.000 0.431 247 A N -1.899 120.948 122.820 0.045 0.000 2.257 247 A HA 0.423 4.743 4.320 0.001 0.000 0.290 247 A C 1.269 178.916 177.584 0.106 0.000 1.201 247 A CA 0.312 52.391 52.037 0.070 0.000 0.863 247 A CB 0.363 19.387 19.000 0.040 0.000 1.256 247 A HN 0.260 nan 8.150 nan 0.000 0.506 248 S N -0.256 115.536 115.700 0.154 0.000 2.575 248 S HA 0.196 4.666 4.470 0.001 0.000 0.215 248 S C 0.336 175.001 174.600 0.108 0.000 0.966 248 S CA 0.504 58.795 58.200 0.152 0.000 0.911 248 S CB -0.447 62.888 63.200 0.225 0.000 0.780 248 S HN 1.004 nan 8.310 nan 0.000 0.514 249 S N 0.595 116.352 115.700 0.096 0.000 2.540 249 S HA 0.839 5.310 4.470 0.001 0.000 0.275 249 S C -0.986 173.657 174.600 0.073 0.000 1.123 249 S CA -0.901 57.348 58.200 0.082 0.000 0.907 249 S CB 2.056 65.277 63.200 0.035 0.000 1.081 249 S HN 0.189 nan 8.310 nan 0.000 0.476 250 A N 1.377 124.255 122.820 0.097 0.000 2.375 250 A HA 0.991 5.311 4.320 0.001 0.000 0.291 250 A C 0.356 177.909 177.584 -0.052 0.000 1.160 250 A CA -0.125 51.950 52.037 0.063 0.000 0.747 250 A CB 0.643 19.758 19.000 0.192 0.000 1.170 250 A HN 2.119 nan 8.150 nan 0.000 0.458 251 G N 1.619 110.378 108.800 -0.069 0.000 2.360 251 G HA2 0.273 4.234 3.960 0.001 0.000 0.276 251 G HA3 0.273 4.234 3.960 0.001 0.000 0.276 251 G C -0.177 174.693 174.900 -0.050 0.000 1.256 251 G CA 0.111 45.148 45.100 -0.104 0.000 0.890 251 G HN 0.537 nan 8.290 nan 0.000 0.486 252 N N -0.304 118.387 118.700 -0.016 0.000 2.518 252 N HA 0.382 5.122 4.740 0.001 0.000 0.230 252 N C 2.444 177.970 175.510 0.025 0.000 1.022 252 N CA 0.969 54.047 53.050 0.047 0.000 1.172 252 N CB -0.166 38.448 38.487 0.213 0.000 1.498 252 N HN 0.658 nan 8.380 nan 0.000 0.602 253 A N 0.965 123.819 122.820 0.058 0.000 1.908 253 A HA -0.141 4.180 4.320 0.001 0.000 0.218 253 A C 2.270 179.863 177.584 0.015 0.000 1.181 253 A CA 2.145 54.212 52.037 0.050 0.000 0.627 253 A CB -1.369 17.686 19.000 0.090 0.000 0.818 253 A HN 0.263 nan 8.150 nan 0.000 0.445 254 V N -2.230 117.657 119.914 -0.045 0.000 2.568 254 V HA -0.243 3.877 4.120 0.001 0.000 0.253 254 V C 1.844 177.909 176.094 -0.048 0.000 1.072 254 V CA 2.397 64.644 62.300 -0.088 0.000 1.084 254 V CB -0.931 30.770 31.823 -0.203 0.000 0.676 254 V HN 0.611 nan 8.190 nan 0.000 0.469 255 E N 0.356 120.533 120.200 -0.038 0.000 2.170 255 E HA -0.024 4.326 4.350 0.001 0.000 0.191 255 E C 2.237 178.808 176.600 -0.047 0.000 0.981 255 E CA 1.120 57.498 56.400 -0.037 0.000 0.830 255 E CB 0.076 29.750 29.700 -0.043 0.000 0.775 255 E HN 0.580 nan 8.360 nan 0.000 0.470 256 V N 1.244 121.142 119.914 -0.026 0.000 2.626 256 V HA -0.208 3.912 4.120 0.001 0.000 0.252 256 V C 2.322 178.399 176.094 -0.030 0.000 1.067 256 V CA 1.556 63.858 62.300 0.003 0.000 1.081 256 V CB -0.449 31.417 31.823 0.071 0.000 0.686 256 V HN 0.174 nan 8.190 nan 0.000 0.468 257 R N 0.164 120.631 120.500 -0.056 0.000 2.115 257 R HA -0.157 4.183 4.340 0.001 0.000 0.226 257 R C 2.286 178.463 176.300 -0.204 0.000 1.100 257 R CA 1.589 57.570 56.100 -0.199 0.000 0.980 257 R CB -0.046 30.234 30.300 -0.034 0.000 0.875 257 R HN 0.646 nan 8.270 nan 0.000 0.445 258 E N -0.306 119.847 120.200 -0.078 0.000 2.158 258 E HA -0.095 4.256 4.350 0.001 0.000 0.191 258 E C 1.689 178.272 176.600 -0.028 0.000 0.982 258 E CA 0.860 57.266 56.400 0.010 0.000 0.823 258 E CB 0.018 29.756 29.700 0.064 0.000 0.766 258 E HN 0.442 nan 8.360 nan 0.000 0.468 259 A N 0.562 123.302 122.820 -0.133 0.000 1.933 259 A HA -0.128 4.192 4.320 0.001 0.000 0.218 259 A C 2.327 179.724 177.584 -0.312 0.000 1.175 259 A CA 1.381 53.273 52.037 -0.241 0.000 0.628 259 A CB -0.660 18.158 19.000 -0.302 0.000 0.814 259 A HN 0.294 nan 8.150 nan 0.000 0.444 260 V N -0.255 119.450 119.914 -0.349 0.000 2.488 260 V HA -0.208 3.912 4.120 0.001 0.000 0.246 260 V C 2.277 178.259 176.094 -0.188 0.000 1.046 260 V CA 2.278 64.362 62.300 -0.361 0.000 1.053 260 V CB -0.529 31.024 31.823 -0.449 0.000 0.679 260 V HN 0.695 nan 8.190 nan 0.000 0.458 261 Q N -1.084 118.631 119.800 -0.142 0.000 2.224 261 Q HA -0.165 4.176 4.340 0.001 0.000 0.203 261 Q C 2.003 178.057 176.000 0.090 0.000 0.970 261 Q CA 1.866 57.678 55.803 0.015 0.000 0.865 261 Q CB -0.168 28.627 28.738 0.095 0.000 0.922 261 Q HN 0.761 nan 8.270 nan 0.000 0.445 262 F N 0.869 120.779 119.950 -0.067 0.000 2.163 262 F HA -0.095 4.432 4.527 0.001 0.000 0.297 262 F C 1.652 177.420 175.800 -0.053 0.000 1.094 262 F CA 0.993 58.960 58.000 -0.055 0.000 1.290 262 F CB 0.034 38.995 39.000 -0.064 0.000 1.017 262 F HN -0.064 nan 8.300 nan 0.000 0.483 263 L N -0.208 121.136 121.223 0.202 0.000 2.109 263 L HA -0.135 4.205 4.340 0.001 0.000 0.207 263 L C 2.289 179.174 176.870 0.025 0.000 1.086 263 L CA 1.685 56.585 54.840 0.099 0.000 0.760 263 L CB -1.065 40.991 42.059 -0.004 0.000 0.910 263 L HN 0.298 nan 8.230 nan 0.000 0.437 264 T N -3.744 110.818 114.554 0.014 0.000 3.129 264 T HA 0.212 4.562 4.350 0.001 0.000 0.251 264 T C 1.444 176.141 174.700 -0.005 0.000 1.117 264 T CA 0.412 62.524 62.100 0.020 0.000 1.034 264 T CB 0.396 69.294 68.868 0.050 0.000 0.968 264 T HN 0.469 nan 8.240 nan 0.000 0.526 265 G N 1.458 110.228 108.800 -0.049 0.000 2.168 265 G HA2 -0.356 3.604 3.960 0.001 0.000 0.263 265 G HA3 -0.356 3.604 3.960 0.001 0.000 0.263 265 G C 0.574 175.450 174.900 -0.041 0.000 0.977 265 G CA 0.636 45.681 45.100 -0.092 0.000 0.659 265 G HN 0.598 nan 8.290 nan 0.000 0.533 266 E N -1.379 118.834 120.200 0.022 0.000 2.118 266 E HA 0.037 4.387 4.350 0.001 0.000 0.195 266 E C 0.575 177.262 176.600 0.146 0.000 0.992 266 E CA 1.187 57.635 56.400 0.080 0.000 0.804 266 E CB 0.020 29.790 29.700 0.116 0.000 0.741 266 E HN 0.864 nan 8.360 nan 0.000 0.458 267 Y N -1.280 119.008 120.300 -0.019 0.000 2.465 267 Y HA 0.334 4.885 4.550 0.001 0.000 0.323 267 Y C -1.867 174.034 175.900 0.001 0.000 1.191 267 Y CA -0.934 57.158 58.100 -0.012 0.000 1.082 267 Y CB 1.029 39.501 38.460 0.020 0.000 1.334 267 Y HN -0.254 nan 8.280 nan 0.000 0.449 268 R N 4.758 124.720 120.500 -0.896 0.000 2.539 268 R HA 0.235 4.575 4.340 0.001 0.000 0.295 268 R C -1.067 174.817 176.300 -0.693 0.000 1.138 268 R CA -0.961 54.767 56.100 -0.621 0.000 0.936 268 R CB 1.472 31.456 30.300 -0.527 0.000 1.182 268 R HN 0.722 nan 8.270 nan 0.000 0.459 269 N N 4.279 122.672 118.700 -0.511 0.000 2.411 269 N HA -0.016 4.725 4.740 0.001 0.000 0.261 269 N C -1.687 173.814 175.510 -0.015 0.000 1.248 269 N CA -0.893 52.056 53.050 -0.168 0.000 0.885 269 N CB 1.166 39.708 38.487 0.091 0.000 1.062 269 N HN 0.216 nan 8.380 nan 0.000 0.471 270 P HA -0.164 nan 4.420 nan 0.000 0.216 270 P C 1.083 178.453 177.300 0.116 0.000 1.157 270 P CA 1.701 64.807 63.100 0.010 0.000 0.880 270 P CB 0.202 31.898 31.700 -0.006 0.000 0.791 271 R N -1.183 119.375 120.500 0.097 0.000 2.062 271 R HA -0.076 4.264 4.340 0.001 0.000 0.231 271 R C 2.299 178.668 176.300 0.115 0.000 1.136 271 R CA 1.051 57.209 56.100 0.096 0.000 0.948 271 R CB -1.360 28.983 30.300 0.072 0.000 0.845 271 R HN 0.135 nan 8.270 nan 0.000 0.430 272 L N 0.528 121.824 121.223 0.122 0.000 2.079 272 L HA -0.175 4.165 4.340 0.001 0.000 0.210 272 L C 1.970 178.929 176.870 0.148 0.000 1.081 272 L CA 1.604 56.498 54.840 0.090 0.000 0.752 272 L CB -0.495 41.609 42.059 0.074 0.000 0.896 272 L HN 0.078 nan 8.230 nan 0.000 0.433 273 F N 0.168 120.221 119.950 0.171 0.000 2.146 273 F HA -0.192 4.335 4.527 0.001 0.000 0.298 273 F C 2.136 178.011 175.800 0.125 0.000 1.096 273 F CA 1.833 60.000 58.000 0.279 0.000 1.275 273 F CB -0.302 38.788 39.000 0.150 0.000 1.008 273 F HN 0.174 nan 8.300 nan 0.000 0.480 274 D N 0.134 120.656 120.400 0.203 0.000 2.097 274 D HA -0.157 4.484 4.640 0.001 0.000 0.195 274 D C 2.511 178.786 176.300 -0.042 0.000 0.989 274 D CA 1.836 55.881 54.000 0.076 0.000 0.827 274 D CB -0.548 40.313 40.800 0.102 0.000 0.966 274 D HN 0.243 nan 8.370 nan 0.000 0.456 275 V N 0.917 120.817 119.914 -0.024 0.000 2.358 275 V HA -0.193 3.927 4.120 0.001 0.000 0.246 275 V C 2.491 178.526 176.094 -0.097 0.000 1.047 275 V CA 1.777 64.051 62.300 -0.044 0.000 1.035 275 V CB -0.848 30.962 31.823 -0.023 0.000 0.658 275 V HN 0.191 nan 8.190 nan 0.000 0.452 276 T N 0.001 114.468 114.554 -0.145 0.000 2.746 276 T HA -0.231 4.120 4.350 0.001 0.000 0.267 276 T C 1.892 176.467 174.700 -0.207 0.000 1.039 276 T CA 2.110 64.089 62.100 -0.203 0.000 1.142 276 T CB -0.316 68.366 68.868 -0.310 0.000 0.866 276 T HN 0.352 nan 8.240 nan 0.000 0.444 277 M N 1.676 121.095 119.600 -0.302 0.000 2.175 277 M HA 0.175 4.656 4.480 0.001 0.000 0.264 277 M C 2.255 178.458 176.300 -0.162 0.000 1.063 277 M CA 1.202 56.317 55.300 -0.308 0.000 1.119 277 M CB -0.700 31.580 32.600 -0.534 0.000 1.377 277 M HN 0.196 nan 8.290 nan 0.000 0.415 278 A N 0.081 122.827 122.820 -0.124 0.000 1.873 278 A HA -0.096 4.225 4.320 0.001 0.000 0.215 278 A C 2.161 179.710 177.584 -0.058 0.000 1.186 278 A CA 1.736 53.732 52.037 -0.068 0.000 0.616 278 A CB -1.116 17.858 19.000 -0.044 0.000 0.823 278 A HN 0.566 nan 8.150 nan 0.000 0.442 279 L N -0.675 120.508 121.223 -0.067 0.000 2.083 279 L HA -0.262 4.078 4.340 0.001 0.000 0.209 279 L C 2.720 179.558 176.870 -0.054 0.000 1.083 279 L CA 1.315 56.123 54.840 -0.054 0.000 0.752 279 L CB -0.745 41.278 42.059 -0.061 0.000 0.899 279 L HN 0.504 nan 8.230 nan 0.000 0.433 280 C N -0.892 118.365 119.300 -0.071 0.000 2.446 280 C HA -0.117 4.344 4.460 0.001 0.000 0.277 280 C C 2.858 177.819 174.990 -0.049 0.000 1.275 280 C CA 0.696 59.676 59.018 -0.062 0.000 1.727 280 C CB -0.746 26.950 27.740 -0.073 0.000 2.010 280 C HN 0.567 nan 8.230 nan 0.000 0.486 281 V N 0.389 120.274 119.914 -0.048 0.000 2.392 281 V HA -0.193 3.928 4.120 0.001 0.000 0.249 281 V C 2.293 178.371 176.094 -0.025 0.000 1.059 281 V CA 2.220 64.499 62.300 -0.034 0.000 1.051 281 V CB -0.826 30.979 31.823 -0.030 0.000 0.658 281 V HN 0.429 nan 8.190 nan 0.000 0.455 282 E N 0.633 120.818 120.200 -0.025 0.000 2.031 282 E HA -0.176 4.175 4.350 0.001 0.000 0.193 282 E C 2.233 178.823 176.600 -0.016 0.000 0.994 282 E CA 2.208 58.598 56.400 -0.016 0.000 0.800 282 E CB -0.499 29.193 29.700 -0.013 0.000 0.752 282 E HN 0.695 nan 8.360 nan 0.000 0.447 283 M N -0.060 119.526 119.600 -0.023 0.000 2.213 283 M HA -0.164 4.316 4.480 0.001 0.000 0.263 283 M C 2.176 178.460 176.300 -0.027 0.000 1.062 283 M CA 0.981 56.266 55.300 -0.025 0.000 1.105 283 M CB -0.219 32.361 32.600 -0.033 0.000 1.385 283 M HN 0.033 nan 8.290 nan 0.000 0.417 284 L N -0.057 121.149 121.223 -0.029 0.000 2.109 284 L HA -0.072 4.268 4.340 0.001 0.000 0.207 284 L C 2.153 179.012 176.870 -0.019 0.000 1.086 284 L CA 1.522 56.345 54.840 -0.028 0.000 0.760 284 L CB -0.421 41.620 42.059 -0.030 0.000 0.910 284 L HN 0.248 nan 8.230 nan 0.000 0.437 285 I N -1.937 118.624 120.570 -0.015 0.000 2.333 285 I HA -0.183 3.988 4.170 0.001 0.000 0.246 285 I C 2.320 178.434 176.117 -0.005 0.000 1.106 285 I CA 0.771 62.066 61.300 -0.009 0.000 1.411 285 I CB -0.368 37.628 38.000 -0.006 0.000 1.082 285 I HN 0.102 nan 8.210 nan 0.000 0.420 286 S N 1.111 116.808 115.700 -0.005 0.000 2.368 286 S HA -0.117 4.354 4.470 0.001 0.000 0.225 286 S C 2.054 176.654 174.600 -0.000 0.000 1.030 286 S CA 1.444 59.644 58.200 -0.000 0.000 0.999 286 S CB -0.703 62.498 63.200 0.001 0.000 0.844 286 S HN 0.628 nan 8.310 nan 0.000 0.459 287 G N 0.630 109.426 108.800 -0.007 0.000 2.679 287 G HA2 -0.011 3.949 3.960 0.001 0.000 0.212 287 G HA3 -0.011 3.949 3.960 0.001 0.000 0.212 287 G C 0.257 175.155 174.900 -0.003 0.000 1.137 287 G CA 0.037 45.133 45.100 -0.007 0.000 0.787 287 G HN 0.475 nan 8.290 nan 0.000 0.534 288 K N -1.240 119.158 120.400 -0.004 0.000 3.167 288 K HA -0.147 4.173 4.320 0.001 0.000 0.272 288 K C 0.741 177.338 176.600 -0.006 0.000 1.137 288 K CA 0.448 56.734 56.287 -0.002 0.000 0.800 288 K CB -1.840 30.663 32.500 0.004 0.000 1.253 288 K HN 0.374 nan 8.250 nan 0.000 0.497 289 L N -0.680 120.535 121.223 -0.013 0.000 2.640 289 L HA 0.325 4.666 4.340 0.001 0.000 0.230 289 L C 0.614 177.474 176.870 -0.017 0.000 1.123 289 L CA 0.228 55.056 54.840 -0.019 0.000 0.900 289 L CB 0.630 42.670 42.059 -0.033 0.000 1.146 289 L HN 0.374 nan 8.230 nan 0.000 0.484 290 A N -0.824 121.989 122.820 -0.012 0.000 2.599 290 A HA 0.545 4.865 4.320 0.001 0.000 0.294 290 A C -0.300 177.280 177.584 -0.007 0.000 1.055 290 A CA -0.466 51.565 52.037 -0.010 0.000 0.683 290 A CB 1.406 20.398 19.000 -0.013 0.000 1.278 290 A HN -0.144 nan 8.150 nan 0.000 0.412 291 K N 0.237 120.634 120.400 -0.005 0.000 2.380 291 K HA 0.289 4.610 4.320 0.001 0.000 0.198 291 K C -0.643 175.956 176.600 -0.002 0.000 1.070 291 K CA 0.661 56.947 56.287 -0.002 0.000 1.040 291 K CB 0.530 33.029 32.500 -0.001 0.000 0.903 291 K HN 0.717 nan 8.250 nan 0.000 0.549 292 D N -0.088 120.311 120.400 -0.002 0.000 2.575 292 D HA 0.028 4.668 4.640 0.001 0.000 0.236 292 D C 0.032 176.331 176.300 -0.003 0.000 1.075 292 D CA -0.324 53.675 54.000 -0.001 0.000 0.860 292 D CB 1.894 42.694 40.800 -0.000 0.000 1.475 292 D HN -0.006 nan 8.370 nan 0.000 0.474 293 D N 1.606 122.005 120.400 -0.002 0.000 2.221 293 D HA -0.178 4.463 4.640 0.001 0.000 0.204 293 D C 1.409 177.708 176.300 -0.001 0.000 0.982 293 D CA 0.788 54.787 54.000 -0.003 0.000 0.857 293 D CB 0.478 41.277 40.800 -0.001 0.000 0.934 293 D HN 0.420 nan 8.370 nan 0.000 0.475 294 A N 0.759 123.579 122.820 0.001 0.000 1.897 294 A HA -0.140 4.181 4.320 0.001 0.000 0.215 294 A C 2.162 179.747 177.584 0.002 0.000 1.181 294 A CA 1.425 53.463 52.037 0.003 0.000 0.620 294 A CB -0.478 18.523 19.000 0.003 0.000 0.821 294 A HN 0.352 nan 8.150 nan 0.000 0.443 295 E N -0.172 120.027 120.200 -0.001 0.000 2.107 295 E HA -0.036 4.314 4.350 0.001 0.000 0.191 295 E C 2.091 178.688 176.600 -0.005 0.000 0.982 295 E CA 0.819 57.217 56.400 -0.002 0.000 0.809 295 E CB -0.196 29.502 29.700 -0.003 0.000 0.756 295 E HN 0.523 nan 8.360 nan 0.000 0.459 296 A N 1.328 124.144 122.820 -0.007 0.000 1.855 296 A HA -0.130 4.191 4.320 0.001 0.000 0.215 296 A C 2.145 179.722 177.584 -0.011 0.000 1.191 296 A CA 1.351 53.381 52.037 -0.013 0.000 0.613 296 A CB -0.430 18.561 19.000 -0.016 0.000 0.829 296 A HN 0.148 nan 8.150 nan 0.000 0.442 297 R N -0.558 119.938 120.500 -0.006 0.000 2.285 297 R HA 0.037 4.377 4.340 0.001 0.000 0.213 297 R C 2.011 178.319 176.300 0.013 0.000 1.068 297 R CA 0.778 56.879 56.100 0.002 0.000 1.004 297 R CB -0.253 30.054 30.300 0.012 0.000 0.873 297 R HN 0.527 nan 8.270 nan 0.000 0.467 298 A N 0.300 123.124 122.820 0.007 0.000 2.030 298 A HA -0.025 4.295 4.320 0.001 0.000 0.215 298 A C 1.861 179.448 177.584 0.005 0.000 1.164 298 A CA 0.667 52.709 52.037 0.009 0.000 0.697 298 A CB 0.105 19.108 19.000 0.005 0.000 0.827 298 A HN 0.003 nan 8.150 nan 0.000 0.457 299 K N -0.308 120.092 120.400 -0.001 0.000 2.005 299 K HA 0.098 4.418 4.320 0.001 0.000 0.206 299 K C 1.681 178.279 176.600 -0.003 0.000 1.044 299 K CA 0.855 57.139 56.287 -0.005 0.000 0.942 299 K CB -0.345 32.148 32.500 -0.013 0.000 0.727 299 K HN 0.233 nan 8.250 nan 0.000 0.439 300 L N 1.243 122.462 121.223 -0.006 0.000 2.079 300 L HA -0.151 4.189 4.340 0.001 0.000 0.210 300 L C 2.350 179.230 176.870 0.017 0.000 1.081 300 L CA 1.721 56.558 54.840 -0.005 0.000 0.752 300 L CB -1.250 40.794 42.059 -0.026 0.000 0.896 300 L HN 0.351 nan 8.230 nan 0.000 0.433 301 Q N -0.385 119.433 119.800 0.030 0.000 2.119 301 Q HA -0.063 4.277 4.340 0.001 0.000 0.201 301 Q C 2.224 178.242 176.000 0.030 0.000 0.972 301 Q CA 1.649 57.484 55.803 0.054 0.000 0.847 301 Q CB -0.098 28.680 28.738 0.066 0.000 0.903 301 Q HN 0.418 nan 8.270 nan 0.000 0.433 302 A N -0.546 122.285 122.820 0.017 0.000 1.858 302 A HA -0.157 4.164 4.320 0.001 0.000 0.216 302 A C 2.268 179.858 177.584 0.010 0.000 1.190 302 A CA 1.741 53.783 52.037 0.009 0.000 0.617 302 A CB -1.080 17.923 19.000 0.005 0.000 0.827 302 A HN 0.265 nan 8.150 nan 0.000 0.443 303 V N -0.519 119.402 119.914 0.012 0.000 2.392 303 V HA -0.235 3.885 4.120 0.001 0.000 0.249 303 V C 2.510 178.618 176.094 0.024 0.000 1.059 303 V CA 2.020 64.329 62.300 0.016 0.000 1.051 303 V CB -0.646 31.185 31.823 0.013 0.000 0.658 303 V HN 0.516 nan 8.190 nan 0.000 0.455 304 L N -0.348 120.892 121.223 0.028 0.000 2.141 304 L HA -0.093 4.248 4.340 0.001 0.000 0.209 304 L C 1.943 178.812 176.870 -0.002 0.000 1.094 304 L CA 1.874 56.729 54.840 0.025 0.000 0.763 304 L CB -0.610 41.473 42.059 0.040 0.000 0.908 304 L HN 0.355 nan 8.230 nan 0.000 0.437 305 D N -1.396 119.003 120.400 -0.001 0.000 2.327 305 D HA -0.031 4.609 4.640 0.001 0.000 0.205 305 D C 1.217 177.514 176.300 -0.004 0.000 0.989 305 D CA 0.511 54.503 54.000 -0.013 0.000 0.873 305 D CB -0.054 40.737 40.800 -0.015 0.000 0.955 305 D HN 0.450 nan 8.370 nan 0.000 0.515 306 N N 0.065 118.768 118.700 0.005 0.000 2.270 306 N HA 0.032 4.772 4.740 0.001 0.000 0.198 306 N C 1.432 176.952 175.510 0.016 0.000 1.117 306 N CA 0.923 53.978 53.050 0.008 0.000 0.845 306 N CB 0.655 39.146 38.487 0.008 0.000 0.980 306 N HN 0.145 nan 8.380 nan 0.000 0.486 307 G N 1.380 110.193 108.800 0.021 0.000 2.320 307 G HA2 -0.463 3.497 3.960 0.001 0.000 0.242 307 G HA3 -0.463 3.497 3.960 0.001 0.000 0.242 307 G C 0.995 175.922 174.900 0.044 0.000 1.033 307 G CA 0.678 45.798 45.100 0.033 0.000 0.620 307 G HN 0.527 nan 8.290 nan 0.000 0.517 308 K N 1.370 121.791 120.400 0.036 0.000 2.173 308 K HA 0.119 4.440 4.320 0.001 0.000 0.207 308 K C 2.774 179.406 176.600 0.053 0.000 1.046 308 K CA 2.600 58.910 56.287 0.038 0.000 0.929 308 K CB -0.580 31.933 32.500 0.022 0.000 0.720 308 K HN 0.952 nan 8.250 nan 0.000 0.453 309 A N 0.345 123.198 122.820 0.056 0.000 1.873 309 A HA -0.041 4.280 4.320 0.001 0.000 0.215 309 A C 2.368 180.018 177.584 0.111 0.000 1.186 309 A CA 1.824 53.906 52.037 0.074 0.000 0.616 309 A CB -1.018 18.025 19.000 0.072 0.000 0.823 309 A HN 0.440 nan 8.150 nan 0.000 0.442 310 A N -0.379 122.504 122.820 0.105 0.000 1.898 310 A HA -0.164 4.156 4.320 0.001 0.000 0.216 310 A C 2.039 179.743 177.584 0.201 0.000 1.181 310 A CA 1.782 53.905 52.037 0.144 0.000 0.620 310 A CB -0.557 18.506 19.000 0.106 0.000 0.819 310 A HN 0.682 nan 8.150 nan 0.000 0.442 311 E N -0.087 120.195 120.200 0.137 0.000 2.058 311 E HA -0.159 4.192 4.350 0.001 0.000 0.194 311 E C 1.862 178.535 176.600 0.121 0.000 0.997 311 E CA 1.670 58.141 56.400 0.119 0.000 0.801 311 E CB -0.168 29.578 29.700 0.077 0.000 0.746 311 E HN 0.299 nan 8.360 nan 0.000 0.450 312 V N 0.883 120.865 119.914 0.114 0.000 2.407 312 V HA -0.235 3.886 4.120 0.001 0.000 0.248 312 V C 2.124 178.298 176.094 0.132 0.000 1.055 312 V CA 1.926 64.283 62.300 0.094 0.000 1.049 312 V CB -0.694 31.170 31.823 0.068 0.000 0.662 312 V HN 0.364 nan 8.190 nan 0.000 0.455 313 F N 1.888 121.866 119.950 0.047 0.000 2.126 313 F HA -0.072 4.455 4.527 0.000 0.000 0.299 313 F C 2.165 178.017 175.800 0.087 0.000 1.096 313 F CA 1.689 59.725 58.000 0.061 0.000 1.255 313 F CB -0.877 38.165 39.000 0.070 0.000 0.997 313 F HN 0.136 nan 8.300 nan 0.000 0.479 314 G N 0.252 109.147 108.800 0.158 0.000 2.480 314 G HA2 -0.275 3.685 3.960 0.001 0.000 0.216 314 G HA3 -0.275 3.685 3.960 0.001 0.000 0.216 314 G C 1.789 176.674 174.900 -0.025 0.000 1.200 314 G CA 0.844 45.989 45.100 0.074 0.000 0.782 314 G HN 0.347 nan 8.290 nan 0.000 0.554 315 R N -0.505 119.999 120.500 0.007 0.000 2.159 315 R HA 0.014 4.355 4.340 0.001 0.000 0.237 315 R C 2.528 178.799 176.300 -0.048 0.000 1.131 315 R CA 1.349 57.443 56.100 -0.011 0.000 0.982 315 R CB -0.365 29.942 30.300 0.013 0.000 0.868 315 R HN 0.436 nan 8.270 nan 0.000 0.453 316 M N 0.536 120.089 119.600 -0.078 0.000 2.077 316 M HA -0.157 4.323 4.480 0.001 0.000 0.261 316 M C 1.991 178.215 176.300 -0.126 0.000 1.070 316 M CA 1.700 56.947 55.300 -0.088 0.000 1.125 316 M CB 0.033 32.575 32.600 -0.097 0.000 1.339 316 M HN 0.002 nan 8.290 nan 0.000 0.409 317 V N 1.296 121.079 119.914 -0.219 0.000 2.252 317 V HA -0.301 3.819 4.120 0.001 0.000 0.249 317 V C 2.744 178.740 176.094 -0.164 0.000 1.056 317 V CA 2.185 64.380 62.300 -0.175 0.000 1.022 317 V CB -1.635 29.985 31.823 -0.339 0.000 0.641 317 V HN 0.685 nan 8.190 nan 0.000 0.445 318 A N -0.199 122.545 122.820 -0.127 0.000 1.940 318 A HA -0.114 4.206 4.320 0.001 0.000 0.219 318 A C 2.342 179.857 177.584 -0.115 0.000 1.176 318 A CA 2.096 54.073 52.037 -0.101 0.000 0.631 318 A CB -0.710 18.259 19.000 -0.052 0.000 0.814 318 A HN 0.626 nan 8.150 nan 0.000 0.446 319 A N -1.276 121.477 122.820 -0.112 0.000 2.066 319 A HA -0.050 4.270 4.320 0.001 0.000 0.218 319 A C 1.723 179.206 177.584 -0.168 0.000 1.157 319 A CA 1.100 53.075 52.037 -0.104 0.000 0.670 319 A CB -0.219 18.742 19.000 -0.065 0.000 0.804 319 A HN 0.613 nan 8.150 nan 0.000 0.453 320 Q N -0.812 118.816 119.800 -0.287 0.000 2.268 320 Q HA 0.215 4.555 4.340 0.001 0.000 0.289 320 Q C -0.583 175.100 176.000 -0.528 0.000 0.893 320 Q CA -0.256 55.245 55.803 -0.503 0.000 1.057 320 Q CB 0.143 28.328 28.738 -0.923 0.000 1.173 320 Q HN 0.578 nan 8.270 nan 0.000 0.449 321 K N -1.612 118.610 120.400 -0.296 0.000 3.407 321 K HA -0.191 4.129 4.320 0.001 0.000 0.312 321 K C 0.509 176.995 176.600 -0.191 0.000 1.302 321 K CA 0.513 56.673 56.287 -0.211 0.000 0.931 321 K CB -1.603 30.787 32.500 -0.185 0.000 1.257 321 K HN 0.508 nan 8.250 nan 0.000 0.454 322 G N 1.254 109.925 108.800 -0.214 0.000 2.588 322 G HA2 0.431 4.391 3.960 0.001 0.000 0.281 322 G HA3 0.431 4.391 3.960 0.001 0.000 0.281 322 G C -2.570 172.224 174.900 -0.177 0.000 1.236 322 G CA -1.045 43.950 45.100 -0.175 0.000 0.969 322 G HN -0.141 nan 8.290 nan 0.000 0.504 323 P HA 0.185 nan 4.420 nan 0.000 0.268 323 P C 0.799 178.029 177.300 -0.117 0.000 1.204 323 P CA -0.018 62.905 63.100 -0.295 0.000 0.768 323 P CB 0.890 32.030 31.700 -0.934 0.000 0.842 324 T N 0.247 114.778 114.554 -0.038 0.000 2.962 324 T HA -0.104 4.246 4.350 0.001 0.000 0.270 324 T C 0.784 175.521 174.700 0.062 0.000 1.088 324 T CA 1.524 63.632 62.100 0.014 0.000 1.127 324 T CB -0.482 68.403 68.868 0.027 0.000 0.883 324 T HN 0.604 nan 8.240 nan 0.000 0.493 325 D N 0.024 120.479 120.400 0.091 0.000 2.670 325 D HA 0.072 4.712 4.640 0.001 0.000 0.255 325 D C 1.175 177.597 176.300 0.203 0.000 1.286 325 D CA -0.532 53.559 54.000 0.152 0.000 0.830 325 D CB -0.663 40.245 40.800 0.179 0.000 1.065 325 D HN 0.238 nan 8.370 nan 0.000 0.486 326 F N 1.449 121.400 119.950 0.002 0.000 2.095 326 F HA -0.210 4.317 4.527 0.001 0.000 0.298 326 F C 1.855 177.816 175.800 0.269 0.000 1.104 326 F CA 1.338 59.372 58.000 0.056 0.000 1.232 326 F CB -0.119 38.845 39.000 -0.061 0.000 0.987 326 F HN -0.093 nan 8.300 nan 0.000 0.475 327 V N 1.606 121.649 119.914 0.214 0.000 2.282 327 V HA -0.323 3.798 4.120 0.001 0.000 0.249 327 V C 2.530 178.724 176.094 0.167 0.000 1.057 327 V CA 2.378 64.795 62.300 0.195 0.000 1.032 327 V CB -0.945 31.038 31.823 0.267 0.000 0.645 327 V HN 0.506 nan 8.190 nan 0.000 0.447 328 E N -0.078 120.200 120.200 0.129 0.000 2.122 328 E HA -0.101 4.249 4.350 0.001 0.000 0.190 328 E C 0.846 177.450 176.600 0.006 0.000 0.977 328 E CA 0.804 57.257 56.400 0.087 0.000 0.820 328 E CB -0.406 29.338 29.700 0.073 0.000 0.770 328 E HN 0.596 nan 8.360 nan 0.000 0.462 329 N N 0.821 119.543 118.700 0.037 0.000 2.389 329 N HA 0.056 4.797 4.740 0.001 0.000 0.260 329 N C 0.855 176.362 175.510 -0.005 0.000 1.191 329 N CA -0.130 52.912 53.050 -0.012 0.000 0.885 329 N CB 0.172 38.725 38.487 0.111 0.000 1.162 329 N HN 0.265 nan 8.380 nan 0.000 0.512 330 Y N 0.215 120.394 120.300 -0.202 0.000 2.207 330 Y HA -0.081 4.469 4.550 0.001 0.000 0.287 330 Y C 2.197 178.058 175.900 -0.065 0.000 1.156 330 Y CA 1.181 59.024 58.100 -0.428 0.000 1.182 330 Y CB -0.690 37.224 38.460 -0.911 0.000 0.979 330 Y HN 0.038 nan 8.280 nan 0.000 0.521 331 A N 1.273 123.728 122.820 -0.609 0.000 1.978 331 A HA -0.178 4.142 4.320 0.001 0.000 0.220 331 A C 2.157 179.658 177.584 -0.139 0.000 1.170 331 A CA 1.883 53.721 52.037 -0.333 0.000 0.636 331 A CB -0.484 18.247 19.000 -0.449 0.000 0.810 331 A HN 0.430 nan 8.150 nan 0.000 0.448 332 K N -1.536 118.750 120.400 -0.189 0.000 2.228 332 K HA -0.012 4.308 4.320 0.001 0.000 0.202 332 K C 1.509 177.953 176.600 -0.259 0.000 1.051 332 K CA 1.095 57.225 56.287 -0.262 0.000 0.960 332 K CB -0.334 31.913 32.500 -0.423 0.000 0.743 332 K HN 0.704 nan 8.250 nan 0.000 0.458 333 Y N 0.770 121.127 120.300 0.094 0.000 2.343 333 Y HA 0.142 4.692 4.550 0.001 0.000 0.294 333 Y C 1.145 177.168 175.900 0.204 0.000 1.122 333 Y CA -0.108 58.104 58.100 0.187 0.000 1.173 333 Y CB -0.034 38.633 38.460 0.345 0.000 1.077 333 Y HN -0.189 nan 8.280 nan 0.000 0.542 334 L N 4.163 125.624 121.223 0.397 0.000 2.410 334 L HA 0.158 4.498 4.340 0.001 0.000 0.273 334 L C -1.999 174.986 176.870 0.191 0.000 1.152 334 L CA -1.968 53.055 54.840 0.304 0.000 0.855 334 L CB 0.179 42.440 42.059 0.336 0.000 1.129 334 L HN -0.031 nan 8.230 nan 0.000 0.463 335 P HA -0.025 nan 4.420 nan 0.000 0.264 335 P C -0.408 176.967 177.300 0.126 0.000 1.193 335 P CA -0.051 63.131 63.100 0.136 0.000 0.763 335 P CB 0.821 32.611 31.700 0.151 0.000 0.810 336 T N 1.933 116.554 114.554 0.112 0.000 2.795 336 T HA 0.531 4.881 4.350 0.001 0.000 0.282 336 T C 0.223 175.000 174.700 0.128 0.000 0.980 336 T CA -0.512 61.662 62.100 0.124 0.000 1.012 336 T CB 0.278 69.207 68.868 0.103 0.000 0.936 336 T HN 0.487 nan 8.240 nan 0.000 0.457 337 A N 5.998 128.924 122.820 0.176 0.000 2.448 337 A HA 0.335 4.655 4.320 0.001 0.000 0.239 337 A C 1.764 179.415 177.584 0.111 0.000 1.080 337 A CA -0.349 51.784 52.037 0.160 0.000 0.779 337 A CB 0.044 19.186 19.000 0.236 0.000 1.026 337 A HN 0.960 nan 8.150 nan 0.000 0.499 338 M N 0.257 119.908 119.600 0.085 0.000 2.064 338 M HA 0.017 4.498 4.480 0.001 0.000 0.260 338 M C 0.809 177.129 176.300 0.034 0.000 1.073 338 M CA 1.638 56.970 55.300 0.053 0.000 1.124 338 M CB -0.823 31.805 32.600 0.047 0.000 1.326 338 M HN 0.593 nan 8.290 nan 0.000 0.410 339 L N 1.586 122.836 121.223 0.045 0.000 2.324 339 L HA 0.283 4.623 4.340 0.001 0.000 0.274 339 L C -0.947 175.928 176.870 0.007 0.000 1.012 339 L CA -0.034 54.805 54.840 -0.002 0.000 0.859 339 L CB 1.148 43.199 42.059 -0.013 0.000 1.224 339 L HN 0.064 nan 8.230 nan 0.000 0.429 340 T N 4.779 119.286 114.554 -0.078 0.000 2.733 340 T HA 0.345 4.696 4.350 0.001 0.000 0.294 340 T C -0.461 174.168 174.700 -0.119 0.000 0.956 340 T CA -0.177 61.806 62.100 -0.195 0.000 0.987 340 T CB 0.879 69.535 68.868 -0.352 0.000 0.920 340 T HN 0.461 nan 8.240 nan 0.000 0.470 341 K N 1.832 122.268 120.400 0.060 0.000 2.525 341 K HA 0.681 5.001 4.320 0.001 0.000 0.254 341 K C -0.913 175.958 176.600 0.452 0.000 0.934 341 K CA -0.723 55.597 56.287 0.055 0.000 0.802 341 K CB 1.803 33.948 32.500 -0.592 0.000 1.295 341 K HN 0.620 nan 8.250 nan 0.000 0.433 342 A N 2.017 124.969 122.820 0.220 0.000 2.287 342 A HA 0.573 4.893 4.320 0.001 0.000 0.273 342 A C -0.905 176.801 177.584 0.204 0.000 1.091 342 A CA -0.548 51.551 52.037 0.105 0.000 0.817 342 A CB 1.308 20.199 19.000 -0.183 0.000 1.069 342 A HN 0.452 nan 8.150 nan 0.000 0.492 343 V N 1.101 120.950 119.914 -0.109 0.000 2.577 343 V HA 0.652 4.772 4.120 0.001 0.000 0.303 343 V C -1.744 174.195 176.094 -0.258 0.000 1.042 343 V CA -0.531 61.721 62.300 -0.081 0.000 0.872 343 V CB 1.201 32.912 31.823 -0.187 0.000 0.998 343 V HN 0.777 nan 8.190 nan 0.000 0.423 344 Y N 3.995 124.333 120.300 0.063 0.000 2.496 344 Y HA 0.794 5.344 4.550 0.001 0.000 0.331 344 Y C 0.750 176.652 175.900 0.002 0.000 1.140 344 Y CA -0.165 57.948 58.100 0.022 0.000 1.166 344 Y CB 1.748 40.224 38.460 0.027 0.000 1.249 344 Y HN 0.830 nan 8.280 nan 0.000 0.479 345 A N 1.169 124.080 122.820 0.151 0.000 2.371 345 A HA 0.129 4.450 4.320 0.001 0.000 0.257 345 A C 0.859 178.483 177.584 0.068 0.000 1.089 345 A CA -0.353 51.724 52.037 0.068 0.000 0.794 345 A CB 0.077 19.096 19.000 0.031 0.000 1.029 345 A HN 0.925 nan 8.150 nan 0.000 0.488 346 D N 0.083 120.509 120.400 0.043 0.000 2.149 346 D HA -0.092 4.548 4.640 0.001 0.000 0.198 346 D C 0.844 177.154 176.300 0.018 0.000 0.990 346 D CA 2.099 56.120 54.000 0.034 0.000 0.839 346 D CB 0.123 40.938 40.800 0.025 0.000 0.948 346 D HN 0.571 nan 8.370 nan 0.000 0.460 347 T N -0.397 114.164 114.554 0.011 0.000 2.926 347 T HA 0.332 4.682 4.350 0.001 0.000 0.289 347 T C -0.984 173.708 174.700 -0.013 0.000 1.054 347 T CA -0.937 61.162 62.100 -0.002 0.000 1.015 347 T CB 2.323 71.192 68.868 0.001 0.000 1.167 347 T HN 0.023 nan 8.240 nan 0.000 0.526 348 E N 0.854 121.035 120.200 -0.033 0.000 2.254 348 E HA 0.752 5.102 4.350 0.001 0.000 0.261 348 E C 0.421 176.966 176.600 -0.092 0.000 1.051 348 E CA -0.840 55.518 56.400 -0.070 0.000 0.902 348 E CB 1.527 31.174 29.700 -0.088 0.000 1.168 348 E HN 0.972 nan 8.360 nan 0.000 0.423 349 G N 0.129 108.807 108.800 -0.203 0.000 2.470 349 G HA2 0.161 4.121 3.960 0.001 0.000 0.145 349 G HA3 0.161 4.121 3.960 0.001 0.000 0.145 349 G C -1.662 172.900 174.900 -0.563 0.000 1.223 349 G CA -0.831 44.117 45.100 -0.252 0.000 1.058 349 G HN 0.394 nan 8.290 nan 0.000 0.469 350 F N 0.138 120.096 119.950 0.013 0.000 2.565 350 F HA 0.615 5.142 4.527 0.001 0.000 0.313 350 F C 0.408 176.215 175.800 0.011 0.000 1.091 350 F CA -0.870 57.138 58.000 0.013 0.000 0.915 350 F CB 2.514 41.521 39.000 0.012 0.000 1.208 350 F HN 0.274 nan 8.300 nan 0.000 0.453 351 V N 2.606 122.626 119.914 0.177 0.000 2.446 351 V HA 0.095 4.215 4.120 0.001 0.000 0.276 351 V C 0.633 176.794 176.094 0.112 0.000 1.030 351 V CA 0.771 63.133 62.300 0.104 0.000 1.033 351 V CB 0.594 32.457 31.823 0.067 0.000 0.993 351 V HN 1.006 nan 8.190 nan 0.000 0.477 352 S N 3.294 119.044 115.700 0.083 0.000 2.566 352 S HA 0.285 4.755 4.470 0.001 0.000 0.234 352 S C 0.412 175.039 174.600 0.045 0.000 1.075 352 S CA -0.350 57.889 58.200 0.064 0.000 0.926 352 S CB 0.389 63.624 63.200 0.058 0.000 0.811 352 S HN 0.707 nan 8.310 nan 0.000 0.518 353 E N 0.195 120.418 120.200 0.037 0.000 2.336 353 E HA 0.641 4.992 4.350 0.001 0.000 0.267 353 E C -1.592 175.021 176.600 0.022 0.000 0.906 353 E CA -0.561 55.857 56.400 0.029 0.000 0.781 353 E CB 2.292 32.006 29.700 0.023 0.000 1.261 353 E HN 0.288 nan 8.360 nan 0.000 0.436 354 M N 2.215 121.828 119.600 0.022 0.000 2.206 354 M HA 0.176 4.657 4.480 0.001 0.000 0.272 354 M C -1.879 174.434 176.300 0.021 0.000 1.012 354 M CA -0.539 54.769 55.300 0.014 0.000 0.986 354 M CB 1.681 34.291 32.600 0.017 0.000 1.740 354 M HN 0.312 nan 8.290 nan 0.000 0.472 355 D N 3.428 123.835 120.400 0.013 0.000 2.517 355 D HA 0.120 4.760 4.640 0.001 0.000 0.220 355 D C 1.227 177.551 176.300 0.040 0.000 1.158 355 D CA 0.191 54.203 54.000 0.020 0.000 0.992 355 D CB 0.890 41.694 40.800 0.005 0.000 1.058 355 D HN 0.783 nan 8.370 nan 0.000 0.516 356 T N 0.687 115.280 114.554 0.065 0.000 2.803 356 T HA -0.243 4.108 4.350 0.001 0.000 0.269 356 T C 1.870 176.681 174.700 0.185 0.000 1.052 356 T CA 0.760 62.923 62.100 0.106 0.000 1.136 356 T CB 0.054 68.985 68.868 0.105 0.000 0.864 356 T HN 0.341 nan 8.240 nan 0.000 0.467 357 R N 1.746 122.338 120.500 0.152 0.000 2.082 357 R HA -0.046 4.294 4.340 0.001 0.000 0.234 357 R C 2.762 179.072 176.300 0.016 0.000 1.136 357 R CA 1.700 57.844 56.100 0.073 0.000 0.935 357 R CB -0.957 29.276 30.300 -0.111 0.000 0.842 357 R HN 0.464 nan 8.270 nan 0.000 0.430 358 A N 1.228 124.054 122.820 0.010 0.000 1.978 358 A HA -0.136 4.185 4.320 0.001 0.000 0.220 358 A C 2.296 179.928 177.584 0.080 0.000 1.170 358 A CA 1.364 53.411 52.037 0.017 0.000 0.636 358 A CB -0.488 18.513 19.000 0.002 0.000 0.810 358 A HN 0.388 nan 8.150 nan 0.000 0.448 359 L N -1.069 120.221 121.223 0.112 0.000 2.072 359 L HA -0.073 4.268 4.340 0.001 0.000 0.205 359 L C 2.858 179.891 176.870 0.273 0.000 1.079 359 L CA 1.036 55.984 54.840 0.180 0.000 0.752 359 L CB -0.859 41.274 42.059 0.123 0.000 0.906 359 L HN 0.474 nan 8.230 nan 0.000 0.436 360 G N -0.425 108.539 108.800 0.274 0.000 2.422 360 G HA2 -0.239 3.722 3.960 0.001 0.000 0.218 360 G HA3 -0.239 3.722 3.960 0.001 0.000 0.218 360 G C 1.613 176.685 174.900 0.286 0.000 1.146 360 G CA 0.447 45.716 45.100 0.282 0.000 0.769 360 G HN 0.072 nan 8.290 nan 0.000 0.547 361 M N 1.079 120.845 119.600 0.277 0.000 2.132 361 M HA 0.107 4.587 4.480 0.001 0.000 0.263 361 M C 3.019 179.376 176.300 0.094 0.000 1.065 361 M CA 1.147 56.532 55.300 0.142 0.000 1.122 361 M CB -1.179 31.447 32.600 0.044 0.000 1.365 361 M HN 0.318 nan 8.290 nan 0.000 0.411 362 A N 0.009 122.902 122.820 0.121 0.000 1.883 362 A HA -0.117 4.203 4.320 0.001 0.000 0.217 362 A C 2.376 179.986 177.584 0.045 0.000 1.186 362 A CA 2.021 54.128 52.037 0.118 0.000 0.624 362 A CB -1.074 18.070 19.000 0.239 0.000 0.822 362 A HN 0.299 nan 8.150 nan 0.000 0.444 363 V N -0.280 119.635 119.914 0.002 0.000 2.392 363 V HA -0.251 3.869 4.120 0.001 0.000 0.249 363 V C 2.552 178.594 176.094 -0.087 0.000 1.059 363 V CA 1.977 64.179 62.300 -0.164 0.000 1.051 363 V CB -0.928 30.779 31.823 -0.194 0.000 0.658 363 V HN 0.380 nan 8.190 nan 0.000 0.455 364 V N 0.417 120.319 119.914 -0.020 0.000 2.295 364 V HA -0.246 3.874 4.120 0.001 0.000 0.246 364 V C 2.615 178.698 176.094 -0.019 0.000 1.049 364 V CA 2.138 64.430 62.300 -0.012 0.000 1.024 364 V CB -1.069 30.772 31.823 0.030 0.000 0.648 364 V HN 0.574 nan 8.190 nan 0.000 0.447 365 A N -1.213 121.605 122.820 -0.003 0.000 2.209 365 A HA -0.055 4.266 4.320 0.001 0.000 0.212 365 A C 2.108 179.684 177.584 -0.013 0.000 1.158 365 A CA 1.514 53.550 52.037 -0.002 0.000 0.742 365 A CB -0.460 18.547 19.000 0.013 0.000 0.790 365 A HN 0.554 nan 8.150 nan 0.000 0.472 366 M N -2.104 117.475 119.600 -0.036 0.000 2.510 366 M HA 0.248 4.729 4.480 0.001 0.000 0.256 366 M C 1.231 177.498 176.300 -0.055 0.000 1.132 366 M CA 1.273 56.545 55.300 -0.047 0.000 1.105 366 M CB 0.490 33.032 32.600 -0.097 0.000 1.375 366 M HN 0.491 nan 8.290 nan 0.000 0.477 367 G N -0.959 107.800 108.800 -0.068 0.000 2.545 367 G HA2 -0.196 3.765 3.960 0.001 0.000 0.195 367 G HA3 -0.196 3.765 3.960 0.001 0.000 0.195 367 G C 0.849 175.674 174.900 -0.125 0.000 1.009 367 G CA -0.162 44.888 45.100 -0.084 0.000 0.703 367 G HN 0.495 nan 8.290 nan 0.000 0.479 368 G N 0.872 109.594 108.800 -0.130 0.000 3.094 368 G HA2 0.533 4.494 3.960 0.001 0.000 0.208 368 G HA3 0.533 4.494 3.960 0.001 0.000 0.208 368 G C 0.650 175.478 174.900 -0.119 0.000 1.189 368 G CA 1.219 46.233 45.100 -0.144 0.000 0.856 368 G HN 1.499 nan 8.290 nan 0.000 0.510 369 G N -0.685 108.054 108.800 -0.102 0.000 2.718 369 G HA2 0.539 4.500 3.960 0.001 0.000 0.295 369 G HA3 0.539 4.500 3.960 0.001 0.000 0.295 369 G C -0.847 174.018 174.900 -0.058 0.000 1.421 369 G CA -1.167 43.893 45.100 -0.068 0.000 0.902 369 G HN 0.192 nan 8.290 nan 0.000 0.501 370 R N 1.439 121.915 120.500 -0.039 0.000 2.210 370 R HA 0.258 4.598 4.340 0.001 0.000 0.338 370 R C 1.289 177.583 176.300 -0.009 0.000 1.062 370 R CA -0.592 55.492 56.100 -0.027 0.000 0.902 370 R CB 1.391 31.682 30.300 -0.015 0.000 1.050 370 R HN 0.484 nan 8.270 nan 0.000 0.461 371 R N 2.148 122.642 120.500 -0.009 0.000 2.060 371 R HA -0.126 4.214 4.340 0.001 0.000 0.225 371 R C 1.213 177.518 176.300 0.008 0.000 1.155 371 R CA 1.367 57.468 56.100 0.002 0.000 0.930 371 R CB -0.117 30.183 30.300 -0.000 0.000 0.829 371 R HN 0.461 nan 8.270 nan 0.000 0.433 372 Q N -0.106 119.697 119.800 0.005 0.000 2.515 372 Q HA 0.163 4.503 4.340 0.001 0.000 0.212 372 Q C 0.582 176.588 176.000 0.011 0.000 0.970 372 Q CA 0.770 56.578 55.803 0.009 0.000 0.941 372 Q CB 0.250 28.992 28.738 0.007 0.000 0.998 372 Q HN 0.493 nan 8.270 nan 0.000 0.518 373 A N -0.473 122.352 122.820 0.009 0.000 2.847 373 A HA -0.267 4.053 4.320 0.001 0.000 0.263 373 A C 1.307 178.899 177.584 0.013 0.000 1.391 373 A CA 1.174 53.217 52.037 0.011 0.000 0.866 373 A CB -2.150 16.860 19.000 0.016 0.000 1.057 373 A HN 0.606 nan 8.150 nan 0.000 0.673 374 S N -1.407 114.299 115.700 0.009 0.000 2.590 374 S HA 0.207 4.678 4.470 0.001 0.000 0.281 374 S C 0.022 174.626 174.600 0.006 0.000 1.068 374 S CA 0.609 58.815 58.200 0.011 0.000 1.193 374 S CB -0.151 63.055 63.200 0.009 0.000 1.040 374 S HN 1.021 nan 8.310 nan 0.000 0.544 375 D N 3.980 124.379 120.400 -0.002 0.000 2.382 375 D HA 0.273 4.913 4.640 0.001 0.000 0.245 375 D C 0.529 176.814 176.300 -0.025 0.000 1.120 375 D CA 0.187 54.181 54.000 -0.010 0.000 0.890 375 D CB 0.771 41.563 40.800 -0.013 0.000 1.201 375 D HN 0.375 nan 8.370 nan 0.000 0.433 376 T N -1.086 113.450 114.554 -0.030 0.000 2.855 376 T HA 0.395 4.746 4.350 0.001 0.000 0.314 376 T C 0.822 175.451 174.700 -0.118 0.000 1.077 376 T CA -0.736 61.329 62.100 -0.058 0.000 1.095 376 T CB 0.277 69.122 68.868 -0.037 0.000 0.987 376 T HN 0.532 nan 8.240 nan 0.000 0.546 377 I N -1.394 119.036 120.570 -0.234 0.000 2.646 377 I HA 0.553 4.724 4.170 0.001 0.000 0.299 377 I C -0.901 174.927 176.117 -0.482 0.000 1.036 377 I CA -1.226 59.871 61.300 -0.337 0.000 1.074 377 I CB 2.144 39.914 38.000 -0.383 0.000 1.258 377 I HN 0.438 nan 8.210 nan 0.000 0.430 378 D N 4.051 124.265 120.400 -0.309 0.000 2.339 378 D HA 0.174 4.814 4.640 0.001 0.000 0.241 378 D C 0.186 176.348 176.300 -0.229 0.000 1.183 378 D CA -0.014 53.859 54.000 -0.212 0.000 0.859 378 D CB 0.631 41.379 40.800 -0.086 0.000 1.067 378 D HN 0.508 nan 8.370 nan 0.000 0.484 379 Y N 1.488 121.787 120.300 -0.001 0.000 2.616 379 Y HA -0.092 4.459 4.550 0.000 0.000 0.296 379 Y C 2.471 178.366 175.900 -0.008 0.000 1.154 379 Y CA 0.688 58.782 58.100 -0.009 0.000 1.325 379 Y CB -0.096 38.366 38.460 0.003 0.000 1.007 379 Y HN 0.411 nan 8.280 nan 0.000 0.542 380 S N -0.948 114.820 115.700 0.114 0.000 2.456 380 S HA 0.028 4.498 4.470 0.001 0.000 0.224 380 S C 0.812 175.437 174.600 0.041 0.000 1.035 380 S CA 0.174 58.426 58.200 0.087 0.000 0.940 380 S CB -1.151 62.113 63.200 0.106 0.000 0.799 380 S HN 0.067 nan 8.310 nan 0.000 0.508 381 V N 0.263 120.183 119.914 0.010 0.000 2.843 381 V HA 0.756 4.877 4.120 0.001 0.000 0.305 381 V C 0.716 176.730 176.094 -0.133 0.000 1.065 381 V CA 0.138 62.422 62.300 -0.026 0.000 1.116 381 V CB 0.127 31.917 31.823 -0.055 0.000 0.968 381 V HN 0.803 nan 8.190 nan 0.000 0.487 382 G N 2.267 110.939 108.800 -0.213 0.000 2.351 382 G HA2 0.414 4.374 3.960 0.001 0.000 0.279 382 G HA3 0.414 4.374 3.960 0.001 0.000 0.279 382 G C -1.673 172.973 174.900 -0.423 0.000 1.297 382 G CA -0.793 44.042 45.100 -0.442 0.000 0.886 382 G HN 0.771 nan 8.290 nan 0.000 0.493 383 F N 0.849 120.807 119.950 0.014 0.000 2.546 383 F HA 0.858 5.385 4.527 0.000 0.000 0.320 383 F C 0.683 176.500 175.800 0.027 0.000 1.076 383 F CA -0.417 57.608 58.000 0.041 0.000 0.928 383 F CB 2.494 41.495 39.000 0.003 0.000 1.189 383 F HN 0.731 nan 8.300 nan 0.000 0.465 384 T N -2.312 112.414 114.554 0.287 0.000 2.894 384 T HA 0.396 4.747 4.350 0.001 0.000 0.309 384 T C -0.978 173.795 174.700 0.122 0.000 1.208 384 T CA -1.041 61.154 62.100 0.158 0.000 1.016 384 T CB 2.064 71.028 68.868 0.160 0.000 1.192 384 T HN 0.680 nan 8.240 nan 0.000 0.491 385 D N 0.409 120.841 120.400 0.054 0.000 2.870 385 D HA -0.125 4.515 4.640 0.001 0.000 0.228 385 D C 0.173 176.484 176.300 0.019 0.000 1.147 385 D CA 0.375 54.384 54.000 0.016 0.000 0.757 385 D CB -0.755 40.050 40.800 0.009 0.000 1.091 385 D HN 0.522 nan 8.370 nan 0.000 0.429 386 M N 0.314 119.936 119.600 0.036 0.000 2.252 386 M HA 0.185 4.666 4.480 0.001 0.000 0.321 386 M C 1.055 177.361 176.300 0.009 0.000 1.070 386 M CA 0.447 55.751 55.300 0.006 0.000 1.143 386 M CB 0.310 32.924 32.600 0.024 0.000 1.498 386 M HN 0.165 nan 8.290 nan 0.000 0.445 387 A N 4.522 127.333 122.820 -0.014 0.000 2.301 387 A HA 0.528 4.849 4.320 0.001 0.000 0.298 387 A C 0.096 177.694 177.584 0.022 0.000 1.185 387 A CA -0.625 51.416 52.037 0.005 0.000 0.830 387 A CB 0.512 19.505 19.000 -0.011 0.000 1.112 387 A HN 0.837 nan 8.150 nan 0.000 0.508 388 R N 1.449 121.975 120.500 0.044 0.000 2.528 388 R HA 0.442 4.782 4.340 0.001 0.000 0.271 388 R C -0.638 175.697 176.300 0.058 0.000 1.056 388 R CA -0.715 55.416 56.100 0.053 0.000 1.117 388 R CB 0.663 31.001 30.300 0.064 0.000 1.085 388 R HN 0.672 nan 8.270 nan 0.000 0.530 389 L N 1.383 122.641 121.223 0.058 0.000 2.499 389 L HA -0.001 4.340 4.340 0.001 0.000 0.273 389 L C 1.382 178.300 176.870 0.080 0.000 1.195 389 L CA 1.150 56.029 54.840 0.066 0.000 0.882 389 L CB 0.443 42.536 42.059 0.057 0.000 1.133 389 L HN 1.104 nan 8.230 nan 0.000 0.483 390 G N 1.646 110.514 108.800 0.114 0.000 2.232 390 G HA2 -0.216 3.744 3.960 0.001 0.000 0.226 390 G HA3 -0.216 3.744 3.960 0.001 0.000 0.226 390 G C 0.106 175.148 174.900 0.237 0.000 0.996 390 G CA -0.332 44.854 45.100 0.143 0.000 0.626 390 G HN 0.584 nan 8.290 nan 0.000 0.509 391 D N 1.031 121.532 120.400 0.167 0.000 2.372 391 D HA 0.426 5.066 4.640 0.001 0.000 0.243 391 D C 0.607 176.962 176.300 0.092 0.000 1.121 391 D CA 0.164 54.243 54.000 0.132 0.000 0.898 391 D CB 0.954 41.795 40.800 0.070 0.000 1.202 391 D HN 0.525 nan 8.370 nan 0.000 0.428 392 Q N 0.719 120.502 119.800 -0.028 0.000 2.235 392 Q HA 0.442 4.782 4.340 0.001 0.000 0.250 392 Q C -1.120 174.778 176.000 -0.170 0.000 0.909 392 Q CA -0.780 54.831 55.803 -0.321 0.000 0.910 392 Q CB 1.180 29.666 28.738 -0.419 0.000 1.223 392 Q HN 0.323 nan 8.270 nan 0.000 0.432 393 V N 1.277 121.078 119.914 -0.188 0.000 2.349 393 V HA 0.461 4.581 4.120 0.001 0.000 0.284 393 V C -1.072 174.983 176.094 -0.066 0.000 1.014 393 V CA -0.801 61.457 62.300 -0.069 0.000 0.826 393 V CB 0.888 32.697 31.823 -0.023 0.000 1.009 393 V HN 0.882 nan 8.190 nan 0.000 0.431 394 D N 4.261 124.642 120.400 -0.032 0.000 2.607 394 D HA 0.551 5.191 4.640 0.001 0.000 0.253 394 D C 1.450 177.727 176.300 -0.038 0.000 1.171 394 D CA 0.055 54.025 54.000 -0.048 0.000 1.084 394 D CB 0.538 41.298 40.800 -0.067 0.000 1.203 394 D HN 0.446 nan 8.370 nan 0.000 0.629 395 G N -1.618 107.107 108.800 -0.126 0.000 2.598 395 G HA2 -0.135 3.825 3.960 0.001 0.000 0.215 395 G HA3 -0.135 3.825 3.960 0.001 0.000 0.215 395 G C 0.842 175.496 174.900 -0.410 0.000 1.131 395 G CA 0.316 45.227 45.100 -0.315 0.000 0.785 395 G HN 0.386 nan 8.290 nan 0.000 0.539 396 Q N -0.959 118.784 119.800 -0.095 0.000 2.217 396 Q HA 0.223 4.563 4.340 0.001 0.000 0.217 396 Q C 0.208 176.344 176.000 0.226 0.000 0.844 396 Q CA -0.216 55.623 55.803 0.059 0.000 0.957 396 Q CB 0.971 29.718 28.738 0.015 0.000 1.127 396 Q HN 0.023 nan 8.270 nan 0.000 0.503 397 R N 2.199 122.839 120.500 0.235 0.000 2.310 397 R HA 0.345 4.686 4.340 0.001 0.000 0.316 397 R C -2.699 173.737 176.300 0.227 0.000 1.004 397 R CA -1.977 54.227 56.100 0.175 0.000 0.900 397 R CB 1.233 31.571 30.300 0.064 0.000 1.152 397 R HN 0.072 nan 8.270 nan 0.000 0.513 398 P HA 0.171 nan 4.420 nan 0.000 0.276 398 P C 0.792 178.023 177.300 -0.115 0.000 1.244 398 P CA -0.454 62.499 63.100 -0.244 0.000 0.801 398 P CB 1.267 32.601 31.700 -0.611 0.000 1.006 399 L N 0.323 121.472 121.223 -0.123 0.000 2.141 399 L HA 0.057 4.397 4.340 0.001 0.000 0.209 399 L C 1.313 178.102 176.870 -0.134 0.000 1.094 399 L CA 1.556 56.331 54.840 -0.107 0.000 0.763 399 L CB -0.508 41.476 42.059 -0.125 0.000 0.908 399 L HN 0.552 nan 8.230 nan 0.000 0.437 400 A N -1.476 121.246 122.820 -0.163 0.000 2.490 400 A HA 0.547 4.867 4.320 0.001 0.000 0.292 400 A C -1.582 175.952 177.584 -0.084 0.000 1.047 400 A CA -0.515 51.449 52.037 -0.123 0.000 0.632 400 A CB 0.955 19.830 19.000 -0.209 0.000 1.323 400 A HN -0.273 nan 8.150 nan 0.000 0.448 401 V N 1.545 121.481 119.914 0.036 0.000 2.334 401 V HA 0.396 4.516 4.120 0.001 0.000 0.281 401 V C -0.396 175.849 176.094 0.253 0.000 1.016 401 V CA -0.134 62.228 62.300 0.104 0.000 0.832 401 V CB 0.990 32.874 31.823 0.101 0.000 0.999 401 V HN 0.587 nan 8.190 nan 0.000 0.439 402 I N 4.918 125.630 120.570 0.236 0.000 2.371 402 I HA 0.315 4.486 4.170 0.001 0.000 0.290 402 I C 0.224 176.518 176.117 0.296 0.000 1.028 402 I CA -0.261 61.199 61.300 0.267 0.000 1.345 402 I CB 0.395 38.263 38.000 -0.221 0.000 1.407 402 I HN 0.551 nan 8.210 nan 0.000 0.501 403 H N 6.424 125.595 119.070 0.168 0.000 2.746 403 H HA 0.532 5.089 4.556 0.001 0.000 0.269 403 H C -0.100 175.293 175.328 0.109 0.000 1.248 403 H CA -0.412 55.721 56.048 0.143 0.000 1.258 403 H CB 0.972 30.776 29.762 0.072 0.000 1.441 403 H HN 0.752 nan 8.280 nan 0.000 0.508 404 A N 2.580 125.568 122.820 0.281 0.000 2.284 404 A HA 0.290 4.610 4.320 0.001 0.000 0.317 404 A C 1.233 178.910 177.584 0.155 0.000 1.120 404 A CA -0.782 51.381 52.037 0.210 0.000 0.900 404 A CB 1.124 20.309 19.000 0.309 0.000 1.319 404 A HN 0.730 nan 8.150 nan 0.000 0.494 405 K N -0.872 119.595 120.400 0.112 0.000 2.352 405 K HA 0.198 4.518 4.320 0.001 0.000 0.194 405 K C -0.713 175.931 176.600 0.073 0.000 1.038 405 K CA 1.035 57.369 56.287 0.079 0.000 1.023 405 K CB -0.084 32.447 32.500 0.052 0.000 0.840 405 K HN 0.773 nan 8.250 nan 0.000 0.519 406 D N -1.465 118.993 120.400 0.097 0.000 2.742 406 D HA -0.028 4.613 4.640 0.001 0.000 0.262 406 D C 0.146 176.517 176.300 0.118 0.000 1.240 406 D CA -0.780 53.266 54.000 0.077 0.000 0.752 406 D CB 0.946 41.778 40.800 0.054 0.000 1.290 406 D HN -0.127 nan 8.370 nan 0.000 0.420 407 E N 0.345 120.588 120.200 0.072 0.000 2.114 407 E HA -0.270 4.080 4.350 0.001 0.000 0.199 407 E C 1.036 177.739 176.600 0.170 0.000 1.008 407 E CA 2.210 58.665 56.400 0.092 0.000 0.810 407 E CB -0.198 29.515 29.700 0.022 0.000 0.739 407 E HN 0.476 nan 8.360 nan 0.000 0.456 408 N N 0.071 118.843 118.700 0.119 0.000 2.244 408 N HA -0.143 4.598 4.740 0.001 0.000 0.183 408 N C 1.650 177.236 175.510 0.126 0.000 1.016 408 N CA 1.079 54.195 53.050 0.111 0.000 0.866 408 N CB -0.422 38.107 38.487 0.071 0.000 0.980 408 N HN 0.361 nan 8.380 nan 0.000 0.430 409 N N -0.181 118.599 118.700 0.133 0.000 2.216 409 N HA -0.144 4.597 4.740 0.001 0.000 0.183 409 N C 1.593 177.201 175.510 0.162 0.000 1.017 409 N CA 0.576 53.696 53.050 0.117 0.000 0.861 409 N CB -0.054 38.495 38.487 0.103 0.000 0.986 409 N HN 0.291 nan 8.380 nan 0.000 0.428 410 W N 1.760 123.081 121.300 0.035 0.000 2.518 410 W HA -0.024 4.636 4.660 0.001 0.000 0.273 410 W C 2.403 178.952 176.519 0.050 0.000 1.247 410 W CA 0.653 58.026 57.345 0.047 0.000 1.288 410 W CB 0.066 29.544 29.460 0.031 0.000 1.107 410 W HN 0.130 nan 8.180 nan 0.000 0.586 411 Q N 0.643 120.643 119.800 0.334 0.000 1.993 411 Q HA -0.216 4.124 4.340 0.001 0.000 0.202 411 Q C 2.020 178.057 176.000 0.061 0.000 0.984 411 Q CA 2.497 58.434 55.803 0.223 0.000 0.837 411 Q CB -0.484 28.362 28.738 0.180 0.000 0.902 411 Q HN 0.344 nan 8.270 nan 0.000 0.423 412 E N -0.346 119.884 120.200 0.049 0.000 2.049 412 E HA -0.270 4.080 4.350 0.001 0.000 0.198 412 E C 1.906 178.492 176.600 -0.024 0.000 1.007 412 E CA 1.095 57.505 56.400 0.017 0.000 0.809 412 E CB -0.335 29.381 29.700 0.026 0.000 0.749 412 E HN 0.429 nan 8.360 nan 0.000 0.450 413 A N 1.607 124.398 122.820 -0.048 0.000 1.884 413 A HA -0.261 4.059 4.320 0.001 0.000 0.219 413 A C 2.445 179.910 177.584 -0.198 0.000 1.197 413 A CA 2.297 54.295 52.037 -0.065 0.000 0.637 413 A CB -1.004 17.945 19.000 -0.086 0.000 0.827 413 A HN 0.333 nan 8.150 nan 0.000 0.450 414 A N -0.724 121.850 122.820 -0.410 0.000 1.883 414 A HA -0.183 4.137 4.320 0.001 0.000 0.217 414 A C 2.084 179.541 177.584 -0.212 0.000 1.186 414 A CA 2.038 53.798 52.037 -0.463 0.000 0.624 414 A CB -0.399 18.243 19.000 -0.596 0.000 0.822 414 A HN 0.377 nan 8.150 nan 0.000 0.444 415 K N -0.001 120.330 120.400 -0.115 0.000 2.097 415 K HA -0.025 4.296 4.320 0.001 0.000 0.206 415 K C 2.242 178.804 176.600 -0.063 0.000 1.049 415 K CA 1.374 57.626 56.287 -0.058 0.000 0.933 415 K CB -0.996 31.494 32.500 -0.018 0.000 0.717 415 K HN 0.470 nan 8.250 nan 0.000 0.442 416 A N 1.022 123.804 122.820 -0.063 0.000 1.858 416 A HA -0.123 4.198 4.320 0.001 0.000 0.216 416 A C 2.525 180.053 177.584 -0.092 0.000 1.190 416 A CA 1.736 53.746 52.037 -0.046 0.000 0.617 416 A CB -0.792 18.209 19.000 0.001 0.000 0.827 416 A HN 0.051 nan 8.150 nan 0.000 0.443 417 V N 0.258 120.069 119.914 -0.172 0.000 2.392 417 V HA -0.293 3.827 4.120 0.001 0.000 0.249 417 V C 2.486 178.470 176.094 -0.184 0.000 1.059 417 V CA 2.402 64.535 62.300 -0.278 0.000 1.051 417 V CB -0.682 30.865 31.823 -0.460 0.000 0.658 417 V HN 0.536 nan 8.190 nan 0.000 0.455 418 K N 0.173 120.490 120.400 -0.138 0.000 2.025 418 K HA -0.082 4.239 4.320 0.001 0.000 0.207 418 K C 2.213 178.778 176.600 -0.058 0.000 1.049 418 K CA 1.464 57.700 56.287 -0.085 0.000 0.933 418 K CB -0.401 32.065 32.500 -0.057 0.000 0.714 418 K HN 0.461 nan 8.250 nan 0.000 0.438 419 A N 0.838 123.627 122.820 -0.051 0.000 2.172 419 A HA -0.008 4.312 4.320 0.001 0.000 0.216 419 A C 1.996 179.561 177.584 -0.031 0.000 1.154 419 A CA 1.566 53.583 52.037 -0.032 0.000 0.701 419 A CB -0.298 18.688 19.000 -0.024 0.000 0.789 419 A HN 0.336 nan 8.150 nan 0.000 0.465 420 A N -0.928 121.864 122.820 -0.047 0.000 2.252 420 A HA 0.478 4.798 4.320 0.001 0.000 0.213 420 A C 0.616 178.179 177.584 -0.035 0.000 1.188 420 A CA 0.022 52.036 52.037 -0.038 0.000 0.863 420 A CB 0.055 19.029 19.000 -0.043 0.000 0.893 420 A HN 0.359 nan 8.150 nan 0.000 0.495 421 I N 1.940 122.483 120.570 -0.045 0.000 2.359 421 I HA 0.214 4.384 4.170 0.001 0.000 0.284 421 I C -0.696 175.413 176.117 -0.013 0.000 1.018 421 I CA -0.749 60.532 61.300 -0.032 0.000 1.173 421 I CB 1.309 39.277 38.000 -0.053 0.000 1.326 421 I HN -0.021 nan 8.210 nan 0.000 0.462 422 K N 5.944 126.346 120.400 0.003 0.000 2.249 422 K HA 0.507 4.827 4.320 0.001 0.000 0.280 422 K C -0.542 176.075 176.600 0.029 0.000 1.033 422 K CA -0.714 55.581 56.287 0.014 0.000 0.946 422 K CB 1.725 34.236 32.500 0.018 0.000 1.005 422 K HN 0.281 nan 8.250 nan 0.000 0.469 423 L N 1.034 122.277 121.223 0.033 0.000 2.332 423 L HA 0.667 5.007 4.340 0.001 0.000 0.269 423 L C 0.188 177.101 176.870 0.073 0.000 1.016 423 L CA -0.382 54.490 54.840 0.053 0.000 0.809 423 L CB 1.570 43.648 42.059 0.032 0.000 1.280 423 L HN 0.872 nan 8.230 nan 0.000 0.447 424 A N 0.018 122.911 122.820 0.122 0.000 2.533 424 A HA 0.495 4.815 4.320 0.001 0.000 0.293 424 A C 0.046 177.752 177.584 0.203 0.000 1.228 424 A CA -0.352 51.761 52.037 0.128 0.000 0.689 424 A CB 0.633 19.695 19.000 0.104 0.000 1.303 424 A HN 0.707 nan 8.150 nan 0.000 0.444 425 D N -0.126 120.370 120.400 0.160 0.000 2.162 425 D HA 0.065 4.705 4.640 0.001 0.000 0.205 425 D C -0.050 176.390 176.300 0.233 0.000 0.964 425 D CA 1.144 55.258 54.000 0.190 0.000 0.847 425 D CB 0.281 41.137 40.800 0.093 0.000 0.988 425 D HN 0.376 nan 8.370 nan 0.000 0.480 426 K N 0.423 120.834 120.400 0.018 0.000 2.316 426 K HA 0.573 4.893 4.320 0.001 0.000 0.251 426 K C -0.884 175.484 176.600 -0.386 0.000 0.934 426 K CA -0.644 55.450 56.287 -0.320 0.000 0.802 426 K CB 2.759 35.134 32.500 -0.208 0.000 1.171 426 K HN -0.114 nan 8.250 nan 0.000 0.426 427 A N 3.807 126.135 122.820 -0.819 0.000 2.488 427 A HA 0.249 4.569 4.320 0.001 0.000 0.249 427 A C -1.757 175.715 177.584 -0.187 0.000 1.083 427 A CA -0.845 50.956 52.037 -0.394 0.000 0.768 427 A CB -0.607 18.140 19.000 -0.423 0.000 1.017 427 A HN 0.510 nan 8.150 nan 0.000 0.496 428 P HA 0.139 nan 4.420 nan 0.000 0.274 428 P C -0.442 176.835 177.300 -0.038 0.000 1.260 428 P CA -0.331 62.745 63.100 -0.040 0.000 0.793 428 P CB 0.422 32.121 31.700 -0.002 0.000 1.048 429 E N -0.280 119.905 120.200 -0.025 0.000 2.398 429 E HA 0.137 4.487 4.350 0.001 0.000 0.263 429 E C 0.267 176.863 176.600 -0.007 0.000 1.046 429 E CA -0.161 56.226 56.400 -0.021 0.000 0.908 429 E CB 0.216 29.907 29.700 -0.015 0.000 0.963 429 E HN 0.271 nan 8.360 nan 0.000 0.431 430 S N 2.013 117.706 115.700 -0.011 0.000 2.481 430 S HA 0.088 4.558 4.470 0.001 0.000 0.276 430 S C -0.202 174.394 174.600 -0.008 0.000 1.247 430 S CA -0.708 57.488 58.200 -0.006 0.000 1.053 430 S CB 0.069 63.262 63.200 -0.012 0.000 0.925 430 S HN 0.504 nan 8.310 nan 0.000 0.491 431 T N 3.840 118.396 114.554 0.003 0.000 2.902 431 T HA 0.628 4.978 4.350 0.001 0.000 0.283 431 T C -2.616 172.028 174.700 -0.094 0.000 1.009 431 T CA -1.783 60.316 62.100 -0.002 0.000 1.051 431 T CB 0.945 69.868 68.868 0.091 0.000 0.999 431 T HN 0.538 nan 8.240 nan 0.000 0.474 432 P HA 0.140 nan 4.420 nan 0.000 0.271 432 P C 0.664 177.681 177.300 -0.471 0.000 1.216 432 P CA -0.246 62.612 63.100 -0.404 0.000 0.776 432 P CB 1.032 32.391 31.700 -0.568 0.000 0.881 433 T N 0.834 115.240 114.554 -0.247 0.000 2.937 433 T HA 0.047 4.397 4.350 0.001 0.000 0.260 433 T C 0.558 175.195 174.700 -0.106 0.000 1.051 433 T CA 0.742 62.774 62.100 -0.114 0.000 1.141 433 T CB -0.049 68.801 68.868 -0.029 0.000 0.879 433 T HN 0.202 nan 8.240 nan 0.000 0.459 434 V N 2.203 122.023 119.914 -0.156 0.000 2.349 434 V HA 0.377 4.497 4.120 0.001 0.000 0.284 434 V C -0.100 175.934 176.094 -0.100 0.000 1.014 434 V CA -1.050 61.222 62.300 -0.046 0.000 0.826 434 V CB 1.069 32.886 31.823 -0.010 0.000 1.009 434 V HN 0.383 nan 8.190 nan 0.000 0.431 435 Y N 3.813 124.156 120.300 0.072 0.000 2.092 435 Y HA 0.063 4.613 4.550 0.001 0.000 0.282 435 Y C 1.388 177.341 175.900 0.089 0.000 1.126 435 Y CA 1.194 59.359 58.100 0.108 0.000 1.111 435 Y CB 0.120 38.714 38.460 0.222 0.000 0.987 435 Y HN 0.613 nan 8.280 nan 0.000 0.489 436 R N -0.377 120.271 120.500 0.247 0.000 2.680 436 R HA 0.437 4.778 4.340 0.001 0.000 0.269 436 R C -1.268 175.085 176.300 0.088 0.000 1.026 436 R CA -1.002 55.184 56.100 0.143 0.000 0.889 436 R CB 1.407 31.803 30.300 0.160 0.000 1.241 436 R HN 0.000 nan 8.270 nan 0.000 0.463 437 R N 3.706 124.240 120.500 0.057 0.000 2.233 437 R HA 0.329 4.670 4.340 0.001 0.000 0.334 437 R C -0.703 175.613 176.300 0.027 0.000 1.037 437 R CA -0.453 55.668 56.100 0.034 0.000 0.920 437 R CB 0.458 30.773 30.300 0.024 0.000 1.137 437 R HN 0.646 nan 8.270 nan 0.000 0.492 438 I N 4.398 124.980 120.570 0.019 0.000 2.471 438 I HA 0.093 4.263 4.170 0.001 0.000 0.286 438 I C 0.302 176.424 176.117 0.009 0.000 1.079 438 I CA 0.339 61.645 61.300 0.012 0.000 1.398 438 I CB 1.114 39.114 38.000 -0.002 0.000 1.403 438 I HN 0.782 nan 8.210 nan 0.000 0.530 439 S N 4.485 120.191 115.700 0.010 0.000 2.757 439 S HA 0.534 5.005 4.470 0.001 0.000 0.285 439 S C -0.822 173.784 174.600 0.009 0.000 1.196 439 S CA -0.964 57.242 58.200 0.009 0.000 0.856 439 S CB 1.930 65.136 63.200 0.010 0.000 1.212 439 S HN 0.586 nan 8.310 nan 0.000 0.516 440 E N 0.000 120.206 120.200 0.009 0.000 2.725 440 E HA 0.000 4.350 4.350 0.001 0.000 0.291 440 E CA 0.000 56.405 56.400 0.009 0.000 0.976 440 E CB 0.000 29.705 29.700 0.009 0.000 0.812 440 E HN 0.000 nan 8.360 nan 0.000 0.440