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 2csc_1_A DATA FIRST_RESID 1 DATA SEQUENCE ASSTNLKDVL AALIPKEQAR IKTFRQQHGG TALGQITVDM SYGGMRGMKG DATA SEQUENCE LVYETSVLDP DEGIRFRGFS IPECQKLLPK GGXGGEPLPE GLFWLLVTGQ DATA SEQUENCE IPTGAQVSWL SKEWAKRAAL PSHVVTMLDN FPTNLHPMSQ LSAAITALNS DATA SEQUENCE ESNFARAYAE GILRTKYWEM VYESAMDLIA KLPCVAAKIY RNLYRAGSSI DATA SEQUENCE GAIDSKLDWS HNFTNMLGYT DAQFTELMRL YLTIHSDHEG GNVSAHTSHL DATA SEQUENCE VGSALSDPYL SFAAAMNGLA GPLHGLANQE VLGWLAQLQK AXXXAGADAS DATA SEQUENCE LRDYIWNTLN SGRVVPGYGH AVLRKTDPRY TCQREFALKH LPGDPMFKLV DATA SEQUENCE AQLYKIVPNV LLEQGAAANP WPNVDAHSGV LLQYYGMTEM NYYTVLFGVS DATA SEQUENCE RALGVLAQLI WSRALGFPLE RPKSMSTDGL IAL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.580 177.584 -0.006 0.000 1.274 1 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 1 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 2 S N -1.730 113.967 115.700 -0.004 0.000 3.849 2 S HA 0.053 4.502 4.470 -0.034 0.000 0.654 2 S C 0.436 175.028 174.600 -0.014 0.000 1.808 2 S CA 0.652 58.849 58.200 -0.005 0.000 1.951 2 S CB -1.113 62.086 63.200 -0.002 0.000 0.330 2 S HN 2.376 nan 8.310 nan 0.000 1.627 3 S N -0.754 114.936 115.700 -0.016 0.000 2.753 3 S HA 0.763 5.212 4.470 -0.034 0.000 0.302 3 S C -0.315 174.236 174.600 -0.081 0.000 1.104 3 S CA 0.080 58.263 58.200 -0.029 0.000 0.968 3 S CB 1.204 64.407 63.200 0.005 0.000 1.278 3 S HN 0.891 nan 8.310 nan 0.000 0.549 4 T N 2.483 116.948 114.554 -0.148 0.000 2.884 4 T HA 0.347 4.677 4.350 -0.034 0.000 0.298 4 T C -0.342 173.977 174.700 -0.635 0.000 0.998 4 T CA -0.125 61.759 62.100 -0.359 0.000 1.124 4 T CB -0.222 68.364 68.868 -0.471 0.000 0.931 4 T HN 0.593 nan 8.240 nan 0.000 0.531 5 N N 2.157 120.516 118.700 -0.567 0.000 2.812 5 N HA 0.132 4.851 4.740 -0.034 0.000 0.262 5 N C 0.550 175.821 175.510 -0.398 0.000 1.241 5 N CA -0.374 52.321 53.050 -0.592 0.000 0.854 5 N CB 0.612 38.986 38.487 -0.188 0.000 1.506 5 N HN 0.391 nan 8.380 nan 0.000 0.576 6 L N 4.118 125.013 121.223 -0.547 0.000 2.129 6 L HA -0.086 4.234 4.340 -0.034 0.000 0.212 6 L C 2.119 178.854 176.870 -0.225 0.000 1.087 6 L CA 1.939 56.577 54.840 -0.336 0.000 0.757 6 L CB -0.285 41.705 42.059 -0.114 0.000 0.896 6 L HN 0.600 nan 8.230 nan 0.000 0.434 7 K N -0.985 119.307 120.400 -0.181 0.000 2.148 7 K HA -0.171 4.128 4.320 -0.034 0.000 0.204 7 K C 1.637 178.154 176.600 -0.139 0.000 1.050 7 K CA 1.454 57.538 56.287 -0.339 0.000 0.942 7 K CB -0.038 32.178 32.500 -0.473 0.000 0.724 7 K HN 0.372 nan 8.250 nan 0.000 0.446 8 D N 0.002 120.336 120.400 -0.110 0.000 2.144 8 D HA -0.114 4.505 4.640 -0.034 0.000 0.200 8 D C 1.834 178.082 176.300 -0.086 0.000 0.978 8 D CA 0.736 54.695 54.000 -0.069 0.000 0.833 8 D CB 0.041 40.804 40.800 -0.061 0.000 0.961 8 D HN -0.007 nan 8.370 nan 0.000 0.470 9 V N 0.894 120.736 119.914 -0.120 0.000 2.307 9 V HA -0.182 3.917 4.120 -0.034 0.000 0.245 9 V C 2.670 178.660 176.094 -0.173 0.000 1.045 9 V CA 0.967 63.199 62.300 -0.114 0.000 1.024 9 V CB -0.393 31.357 31.823 -0.122 0.000 0.651 9 V HN 0.196 nan 8.190 nan 0.000 0.449 10 L N 0.165 121.227 121.223 -0.267 0.000 2.043 10 L HA -0.243 4.077 4.340 -0.034 0.000 0.212 10 L C 2.687 179.261 176.870 -0.493 0.000 1.075 10 L CA 1.783 56.355 54.840 -0.448 0.000 0.752 10 L CB -0.717 40.977 42.059 -0.609 0.000 0.891 10 L HN 0.394 nan 8.230 nan 0.000 0.432 11 A N -0.511 122.148 122.820 -0.268 0.000 2.024 11 A HA -0.188 4.111 4.320 -0.034 0.000 0.220 11 A C 2.393 179.904 177.584 -0.123 0.000 1.164 11 A CA 1.844 53.809 52.037 -0.121 0.000 0.643 11 A CB -0.544 18.483 19.000 0.046 0.000 0.806 11 A HN 0.480 nan 8.150 nan 0.000 0.451 12 A N -0.968 121.783 122.820 -0.115 0.000 1.935 12 A HA 0.242 4.541 4.320 -0.034 0.000 0.214 12 A C 2.118 179.660 177.584 -0.070 0.000 1.178 12 A CA 1.001 52.995 52.037 -0.071 0.000 0.640 12 A CB -0.408 18.566 19.000 -0.044 0.000 0.825 12 A HN 0.425 nan 8.150 nan 0.000 0.447 13 L N -0.343 120.829 121.223 -0.084 0.000 2.005 13 L HA -0.145 4.174 4.340 -0.034 0.000 0.207 13 L C 2.408 179.282 176.870 0.008 0.000 1.072 13 L CA 1.340 56.177 54.840 -0.005 0.000 0.744 13 L CB -0.388 41.709 42.059 0.063 0.000 0.895 13 L HN 0.397 nan 8.230 nan 0.000 0.433 14 I N -0.175 120.283 120.570 -0.188 0.000 2.103 14 I HA -0.336 3.814 4.170 -0.034 0.000 0.241 14 I C -0.551 175.517 176.117 -0.083 0.000 1.036 14 I CA 2.023 63.174 61.300 -0.248 0.000 1.300 14 I CB -1.640 35.943 38.000 -0.694 0.000 1.010 14 I HN 0.265 nan 8.210 nan 0.000 0.406 15 P HA -0.187 nan 4.420 nan 0.000 0.215 15 P C 1.348 178.647 177.300 -0.001 0.000 1.153 15 P CA 1.707 64.790 63.100 -0.029 0.000 0.853 15 P CB -0.113 31.573 31.700 -0.024 0.000 0.788 16 K N -0.533 119.867 120.400 -0.000 0.000 2.057 16 K HA -0.172 4.128 4.320 -0.034 0.000 0.207 16 K C 2.187 178.795 176.600 0.015 0.000 1.049 16 K CA 1.234 57.525 56.287 0.006 0.000 0.931 16 K CB -0.331 32.169 32.500 -0.000 0.000 0.714 16 K HN 0.007 nan 8.250 nan 0.000 0.440 17 E N 1.425 121.644 120.200 0.032 0.000 2.072 17 E HA -0.161 4.168 4.350 -0.034 0.000 0.191 17 E C 1.935 178.567 176.600 0.053 0.000 0.985 17 E CA 1.351 57.767 56.400 0.028 0.000 0.801 17 E CB 0.010 29.750 29.700 0.067 0.000 0.750 17 E HN 0.217 nan 8.360 nan 0.000 0.452 18 Q N -0.394 119.443 119.800 0.062 0.000 2.045 18 Q HA -0.224 4.095 4.340 -0.034 0.000 0.206 18 Q C 2.169 178.208 176.000 0.066 0.000 0.991 18 Q CA 1.857 57.700 55.803 0.065 0.000 0.851 18 Q CB -0.337 28.424 28.738 0.038 0.000 0.911 18 Q HN 0.359 nan 8.270 nan 0.000 0.418 19 A N 1.392 124.239 122.820 0.047 0.000 1.883 19 A HA -0.280 4.019 4.320 -0.034 0.000 0.217 19 A C 2.032 179.650 177.584 0.057 0.000 1.186 19 A CA 1.917 53.981 52.037 0.044 0.000 0.624 19 A CB -0.727 18.290 19.000 0.028 0.000 0.822 19 A HN 0.380 nan 8.150 nan 0.000 0.444 20 R N -0.057 120.472 120.500 0.048 0.000 2.073 20 R HA -0.102 4.218 4.340 -0.034 0.000 0.234 20 R C 1.888 178.247 176.300 0.098 0.000 1.134 20 R CA 2.081 58.209 56.100 0.047 0.000 0.952 20 R CB -0.497 29.803 30.300 -0.000 0.000 0.850 20 R HN 0.519 nan 8.270 nan 0.000 0.433 21 I N 1.724 122.365 120.570 0.118 0.000 2.394 21 I HA -0.232 3.917 4.170 -0.034 0.000 0.251 21 I C 2.394 178.632 176.117 0.200 0.000 1.136 21 I CA 1.484 62.906 61.300 0.203 0.000 1.425 21 I CB -0.329 37.795 38.000 0.206 0.000 1.079 21 I HN 0.320 nan 8.210 nan 0.000 0.425 22 K N 1.151 121.632 120.400 0.136 0.000 2.025 22 K HA -0.106 4.193 4.320 -0.034 0.000 0.207 22 K C 1.867 178.527 176.600 0.099 0.000 1.049 22 K CA 1.939 58.289 56.287 0.106 0.000 0.933 22 K CB -0.913 31.633 32.500 0.077 0.000 0.714 22 K HN 0.111 nan 8.250 nan 0.000 0.438 23 T N 0.796 115.413 114.554 0.106 0.000 2.759 23 T HA -0.167 4.162 4.350 -0.034 0.000 0.269 23 T C 1.450 176.240 174.700 0.150 0.000 1.042 23 T CA 1.431 63.592 62.100 0.101 0.000 1.140 23 T CB -0.462 68.464 68.868 0.097 0.000 0.864 23 T HN 0.408 nan 8.240 nan 0.000 0.455 24 F N 1.809 121.789 119.950 0.050 0.000 2.234 24 F HA 0.011 4.516 4.527 -0.036 0.000 0.299 24 F C 2.445 178.301 175.800 0.094 0.000 1.087 24 F CA 0.786 58.835 58.000 0.081 0.000 1.340 24 F CB 0.025 39.062 39.000 0.062 0.000 1.031 24 F HN -0.087 nan 8.300 nan 0.000 0.500 25 R N -0.047 120.436 120.500 -0.028 0.000 2.119 25 R HA -0.089 4.231 4.340 -0.034 0.000 0.222 25 R C 2.246 178.468 176.300 -0.130 0.000 1.088 25 R CA 1.082 57.069 56.100 -0.189 0.000 0.984 25 R CB -0.442 29.823 30.300 -0.058 0.000 0.884 25 R HN 0.398 nan 8.270 nan 0.000 0.447 26 Q N 0.466 120.237 119.800 -0.049 0.000 2.170 26 Q HA -0.203 4.116 4.340 -0.034 0.000 0.203 26 Q C 1.929 177.873 176.000 -0.093 0.000 0.976 26 Q CA 1.466 57.240 55.803 -0.049 0.000 0.858 26 Q CB 0.214 28.945 28.738 -0.011 0.000 0.907 26 Q HN 0.340 nan 8.270 nan 0.000 0.433 27 Q N -1.724 118.003 119.800 -0.121 0.000 2.373 27 Q HA -0.045 4.274 4.340 -0.034 0.000 0.210 27 Q C 0.804 176.550 176.000 -0.422 0.000 0.913 27 Q CA 0.447 56.112 55.803 -0.230 0.000 0.911 27 Q CB 0.644 29.282 28.738 -0.166 0.000 1.040 27 Q HN 0.461 nan 8.270 nan 0.000 0.521 28 H N -2.161 116.745 119.070 -0.275 0.000 3.058 28 H HA 0.194 4.729 4.556 -0.034 0.000 0.266 28 H C 1.438 176.560 175.328 -0.344 0.000 1.135 28 H CA 0.569 56.410 56.048 -0.346 0.000 1.174 28 H CB 0.955 30.411 29.762 -0.510 0.000 1.581 28 H HN 0.322 nan 8.280 nan 0.000 0.553 29 G N 0.582 109.257 108.800 -0.209 0.000 2.475 29 G HA2 -0.265 3.675 3.960 -0.034 0.000 0.220 29 G HA3 -0.265 3.675 3.960 -0.034 0.000 0.220 29 G C 1.775 176.618 174.900 -0.094 0.000 1.125 29 G CA 1.006 46.013 45.100 -0.156 0.000 0.755 29 G HN 0.434 nan 8.290 nan 0.000 0.565 30 G N -0.576 108.178 108.800 -0.078 0.000 2.712 30 G HA2 0.156 4.095 3.960 -0.034 0.000 0.212 30 G HA3 0.156 4.095 3.960 -0.034 0.000 0.212 30 G C 0.780 175.663 174.900 -0.027 0.000 1.142 30 G CA 0.534 45.605 45.100 -0.049 0.000 0.789 30 G HN 0.342 nan 8.290 nan 0.000 0.535 31 T N 1.852 116.398 114.554 -0.012 0.000 2.902 31 T HA 0.438 4.767 4.350 -0.034 0.000 0.301 31 T C 0.516 175.217 174.700 0.002 0.000 1.012 31 T CA 0.101 62.217 62.100 0.026 0.000 1.151 31 T CB 1.297 70.231 68.868 0.110 0.000 0.946 31 T HN 0.305 nan 8.240 nan 0.000 0.542 32 A N 3.414 126.238 122.820 0.006 0.000 2.354 32 A HA 0.475 4.774 4.320 -0.034 0.000 0.281 32 A C 0.879 178.462 177.584 -0.001 0.000 1.174 32 A CA -0.486 51.550 52.037 -0.002 0.000 0.828 32 A CB 0.103 19.103 19.000 -0.001 0.000 1.099 32 A HN 0.818 nan 8.150 nan 0.000 0.516 33 L N 2.277 123.496 121.223 -0.006 0.000 2.556 33 L HA 0.466 4.785 4.340 -0.034 0.000 0.226 33 L C 0.952 177.816 176.870 -0.010 0.000 1.089 33 L CA 1.436 56.272 54.840 -0.007 0.000 0.864 33 L CB 0.282 42.337 42.059 -0.007 0.000 1.067 33 L HN 0.957 nan 8.230 nan 0.000 0.477 34 G N -1.641 107.153 108.800 -0.010 0.000 2.356 34 G HA2 0.371 4.310 3.960 -0.034 0.000 0.294 34 G HA3 0.371 4.310 3.960 -0.034 0.000 0.294 34 G C -1.680 173.215 174.900 -0.009 0.000 1.423 34 G CA -0.660 44.434 45.100 -0.010 0.000 0.806 34 G HN -0.085 nan 8.290 nan 0.000 0.527 35 Q N -1.089 118.707 119.800 -0.007 0.000 2.306 35 Q HA 0.746 5.066 4.340 -0.034 0.000 0.269 35 Q C -0.625 175.372 176.000 -0.006 0.000 1.053 35 Q CA -0.815 54.985 55.803 -0.005 0.000 0.879 35 Q CB 2.780 31.518 28.738 -0.002 0.000 1.344 35 Q HN 0.473 nan 8.270 nan 0.000 0.464 36 I N 1.203 121.770 120.570 -0.004 0.000 2.436 36 I HA 0.366 4.516 4.170 -0.034 0.000 0.289 36 I C -0.156 175.963 176.117 0.002 0.000 1.010 36 I CA -0.617 60.680 61.300 -0.005 0.000 1.098 36 I CB 1.939 39.933 38.000 -0.010 0.000 1.266 36 I HN 0.684 nan 8.210 nan 0.000 0.434 37 T N 1.573 116.133 114.554 0.010 0.000 2.938 37 T HA 0.407 4.737 4.350 -0.034 0.000 0.285 37 T C 1.012 175.734 174.700 0.036 0.000 1.028 37 T CA -0.726 61.388 62.100 0.023 0.000 1.005 37 T CB 2.077 70.962 68.868 0.027 0.000 1.157 37 T HN 0.190 nan 8.240 nan 0.000 0.550 38 V N 0.892 120.845 119.914 0.066 0.000 2.295 38 V HA -0.132 3.967 4.120 -0.034 0.000 0.246 38 V C 2.477 178.697 176.094 0.209 0.000 1.049 38 V CA 2.026 64.404 62.300 0.130 0.000 1.024 38 V CB -0.833 31.090 31.823 0.166 0.000 0.648 38 V HN 0.879 nan 8.190 nan 0.000 0.447 39 D N -0.310 120.180 120.400 0.150 0.000 2.149 39 D HA -0.185 4.435 4.640 -0.034 0.000 0.198 39 D C 2.178 178.544 176.300 0.110 0.000 0.990 39 D CA 1.482 55.563 54.000 0.135 0.000 0.839 39 D CB -0.228 40.614 40.800 0.069 0.000 0.948 39 D HN 0.379 nan 8.370 nan 0.000 0.460 40 M N -0.188 119.450 119.600 0.064 0.000 2.175 40 M HA -0.116 4.343 4.480 -0.034 0.000 0.264 40 M C 2.301 178.612 176.300 0.019 0.000 1.063 40 M CA 0.930 56.249 55.300 0.032 0.000 1.119 40 M CB -0.041 32.565 32.600 0.010 0.000 1.377 40 M HN -0.142 nan 8.290 nan 0.000 0.415 41 S N -0.790 114.909 115.700 -0.001 0.000 2.383 41 S HA -0.096 4.353 4.470 -0.034 0.000 0.227 41 S C 1.557 176.083 174.600 -0.123 0.000 1.026 41 S CA 1.055 59.201 58.200 -0.090 0.000 0.981 41 S CB -0.233 62.869 63.200 -0.163 0.000 0.818 41 S HN 0.394 nan 8.310 nan 0.000 0.472 42 Y N 0.938 121.237 120.300 -0.002 0.000 2.544 42 Y HA 0.230 4.760 4.550 -0.033 0.000 0.286 42 Y C 2.091 177.988 175.900 -0.005 0.000 1.141 42 Y CA 0.186 58.284 58.100 -0.002 0.000 1.299 42 Y CB -0.136 38.323 38.460 -0.002 0.000 1.030 42 Y HN 0.295 nan 8.280 nan 0.000 0.543 43 G N -1.375 107.506 108.800 0.136 0.000 3.707 43 G HA2 0.383 4.322 3.960 -0.034 0.000 0.286 43 G HA3 0.383 4.322 3.960 -0.034 0.000 0.286 43 G C 1.077 175.997 174.900 0.034 0.000 1.112 43 G CA 0.085 45.230 45.100 0.076 0.000 0.861 43 G HN 0.409 nan 8.290 nan 0.000 0.534 44 G N 0.395 109.209 108.800 0.023 0.000 2.147 44 G HA2 -0.286 3.654 3.960 -0.034 0.000 0.244 44 G HA3 -0.286 3.654 3.960 -0.034 0.000 0.244 44 G C 0.849 175.747 174.900 -0.004 0.000 1.005 44 G CA 0.200 45.303 45.100 0.005 0.000 0.713 44 G HN 0.946 nan 8.290 nan 0.000 0.515 45 M N -2.542 117.055 119.600 -0.004 0.000 2.682 45 M HA -0.194 4.265 4.480 -0.034 0.000 0.196 45 M C 0.909 177.198 176.300 -0.019 0.000 0.542 45 M CA 1.414 56.706 55.300 -0.014 0.000 0.593 45 M CB -0.774 31.815 32.600 -0.018 0.000 2.183 45 M HN 0.418 nan 8.290 nan 0.000 0.663 46 R N 1.102 121.597 120.500 -0.009 0.000 2.458 46 R HA 0.352 4.671 4.340 -0.034 0.000 0.303 46 R C 1.294 177.588 176.300 -0.011 0.000 1.013 46 R CA 1.864 57.957 56.100 -0.012 0.000 1.026 46 R CB 0.114 30.412 30.300 -0.003 0.000 0.948 46 R HN 0.516 nan 8.270 nan 0.000 0.417 47 G N 3.051 111.840 108.800 -0.019 0.000 2.217 47 G HA2 -0.314 3.626 3.960 -0.034 0.000 0.246 47 G HA3 -0.314 3.626 3.960 -0.034 0.000 0.246 47 G C 0.240 175.125 174.900 -0.024 0.000 0.990 47 G CA 0.162 45.252 45.100 -0.017 0.000 0.627 47 G HN 0.556 nan 8.290 nan 0.000 0.522 48 M N 1.390 120.971 119.600 -0.031 0.000 2.185 48 M HA 0.350 4.809 4.480 -0.034 0.000 0.357 48 M C 0.196 176.465 176.300 -0.052 0.000 1.260 48 M CA -0.044 55.235 55.300 -0.036 0.000 1.124 48 M CB 0.417 32.996 32.600 -0.035 0.000 1.600 48 M HN 0.092 nan 8.290 nan 0.000 0.467 49 K N 3.412 123.784 120.400 -0.046 0.000 2.220 49 K HA 0.196 4.495 4.320 -0.034 0.000 0.283 49 K C 0.791 177.353 176.600 -0.063 0.000 1.098 49 K CA -0.208 56.045 56.287 -0.056 0.000 0.928 49 K CB 0.359 32.835 32.500 -0.041 0.000 1.214 49 K HN 0.920 nan 8.250 nan 0.000 0.442 50 G N 2.888 111.633 108.800 -0.091 0.000 2.759 50 G HA2 0.137 4.076 3.960 -0.034 0.000 0.208 50 G HA3 0.137 4.076 3.960 -0.034 0.000 0.208 50 G C -0.088 174.748 174.900 -0.105 0.000 1.076 50 G CA 0.019 45.064 45.100 -0.092 0.000 0.789 50 G HN 0.352 nan 8.290 nan 0.000 0.546 51 L N 0.400 121.540 121.223 -0.137 0.000 2.371 51 L HA 0.641 4.960 4.340 -0.034 0.000 0.262 51 L C -0.941 175.868 176.870 -0.102 0.000 1.006 51 L CA -0.868 53.885 54.840 -0.145 0.000 0.818 51 L CB 3.162 45.065 42.059 -0.260 0.000 1.354 51 L HN -0.181 nan 8.230 nan 0.000 0.415 52 V N 2.252 122.106 119.914 -0.099 0.000 2.394 52 V HA 0.383 4.482 4.120 -0.034 0.000 0.282 52 V C -1.428 174.767 176.094 0.168 0.000 1.031 52 V CA -0.399 61.889 62.300 -0.020 0.000 0.881 52 V CB 1.434 33.207 31.823 -0.083 0.000 0.982 52 V HN 0.572 nan 8.190 nan 0.000 0.451 53 Y N 3.234 123.553 120.300 0.031 0.000 2.315 53 Y HA 0.397 4.923 4.550 -0.039 0.000 0.324 53 Y C 0.706 176.639 175.900 0.055 0.000 1.062 53 Y CA -0.423 57.724 58.100 0.078 0.000 1.159 53 Y CB 1.986 40.423 38.460 -0.039 0.000 1.145 53 Y HN 0.709 nan 8.280 nan 0.000 0.442 54 E N 0.970 121.112 120.200 -0.098 0.000 2.318 54 E HA -0.056 4.273 4.350 -0.034 0.000 0.193 54 E C 1.745 178.270 176.600 -0.125 0.000 0.998 54 E CA 1.299 57.623 56.400 -0.127 0.000 0.859 54 E CB 0.477 30.024 29.700 -0.256 0.000 0.812 54 E HN 0.846 nan 8.360 nan 0.000 0.492 55 T N -1.748 112.719 114.554 -0.146 0.000 2.951 55 T HA -0.023 4.307 4.350 -0.034 0.000 0.268 55 T C 0.914 175.715 174.700 0.167 0.000 1.073 55 T CA 0.538 62.634 62.100 -0.006 0.000 1.134 55 T CB -0.035 68.848 68.868 0.025 0.000 0.884 55 T HN 0.075 nan 8.240 nan 0.000 0.479 56 S N -0.644 115.200 115.700 0.239 0.000 2.550 56 S HA 0.683 5.132 4.470 -0.034 0.000 0.270 56 S C -1.452 173.196 174.600 0.080 0.000 1.145 56 S CA -0.942 57.364 58.200 0.176 0.000 0.852 56 S CB 2.229 65.582 63.200 0.257 0.000 1.119 56 S HN 0.115 nan 8.310 nan 0.000 0.465 57 V N 2.094 121.976 119.914 -0.054 0.000 2.638 57 V HA 0.617 4.716 4.120 -0.034 0.000 0.306 57 V C -1.085 174.899 176.094 -0.183 0.000 1.052 57 V CA -0.685 61.559 62.300 -0.095 0.000 0.885 57 V CB 1.636 33.410 31.823 -0.082 0.000 0.999 57 V HN 0.940 nan 8.190 nan 0.000 0.424 58 L N 4.455 125.550 121.223 -0.214 0.000 2.282 58 L HA 0.611 4.930 4.340 -0.034 0.000 0.288 58 L C -0.291 176.471 176.870 -0.180 0.000 1.033 58 L CA 0.329 55.003 54.840 -0.276 0.000 0.807 58 L CB 1.408 43.203 42.059 -0.441 0.000 1.209 58 L HN 0.755 nan 8.230 nan 0.000 0.423 59 D N 5.958 126.262 120.400 -0.160 0.000 2.193 59 D HA 0.298 4.917 4.640 -0.034 0.000 0.244 59 D C -2.055 174.187 176.300 -0.096 0.000 1.064 59 D CA -1.849 52.084 54.000 -0.113 0.000 0.845 59 D CB 2.573 43.311 40.800 -0.104 0.000 1.148 59 D HN 0.373 nan 8.370 nan 0.000 0.464 60 P HA -0.123 nan 4.420 nan 0.000 0.217 60 P C 0.397 177.674 177.300 -0.039 0.000 1.148 60 P CA 1.239 64.317 63.100 -0.036 0.000 0.828 60 P CB 0.442 32.132 31.700 -0.016 0.000 0.783 61 D N -1.502 118.867 120.400 -0.052 0.000 2.566 61 D HA -0.016 4.604 4.640 -0.034 0.000 0.253 61 D C 1.727 177.981 176.300 -0.077 0.000 0.992 61 D CA 0.673 54.637 54.000 -0.059 0.000 0.940 61 D CB -0.304 40.467 40.800 -0.049 0.000 1.095 61 D HN 0.070 nan 8.370 nan 0.000 0.480 62 E N 0.569 120.722 120.200 -0.078 0.000 2.216 62 E HA 0.200 4.530 4.350 -0.034 0.000 0.192 62 E C 0.953 177.497 176.600 -0.093 0.000 0.988 62 E CA 0.608 56.959 56.400 -0.082 0.000 0.834 62 E CB 0.195 29.848 29.700 -0.079 0.000 0.772 62 E HN 0.359 nan 8.360 nan 0.000 0.479 63 G N -0.069 108.667 108.800 -0.108 0.000 2.582 63 G HA2 -0.263 3.676 3.960 -0.034 0.000 0.222 63 G HA3 -0.263 3.676 3.960 -0.034 0.000 0.222 63 G C -0.538 174.265 174.900 -0.162 0.000 1.311 63 G CA -0.496 44.533 45.100 -0.117 0.000 0.915 63 G HN 0.183 nan 8.290 nan 0.000 0.528 64 I N 1.074 121.538 120.570 -0.177 0.000 2.754 64 I HA 0.548 4.697 4.170 -0.034 0.000 0.285 64 I C 0.836 176.703 176.117 -0.417 0.000 1.166 64 I CA -0.069 61.035 61.300 -0.327 0.000 1.417 64 I CB 0.389 38.216 38.000 -0.287 0.000 1.382 64 I HN 0.556 nan 8.210 nan 0.000 0.588 65 R N 6.504 126.736 120.500 -0.446 0.000 2.502 65 R HA 0.300 4.619 4.340 -0.034 0.000 0.300 65 R C -0.022 176.074 176.300 -0.339 0.000 0.984 65 R CA -0.506 55.386 56.100 -0.347 0.000 0.882 65 R CB 0.979 31.184 30.300 -0.158 0.000 1.180 65 R HN 0.499 nan 8.270 nan 0.000 0.444 66 F N 1.479 121.506 119.950 0.129 0.000 2.009 66 F HA -0.059 4.445 4.527 -0.038 0.000 0.293 66 F C 2.563 178.472 175.800 0.182 0.000 1.156 66 F CA 1.208 59.305 58.000 0.161 0.000 1.168 66 F CB -0.426 38.673 39.000 0.164 0.000 0.981 66 F HN 0.444 nan 8.300 nan 0.000 0.475 67 R N -0.059 120.741 120.500 0.500 0.000 2.062 67 R HA 0.178 4.497 4.340 -0.034 0.000 0.213 67 R C 1.693 177.989 176.300 -0.007 0.000 1.214 67 R CA 1.360 57.584 56.100 0.208 0.000 0.951 67 R CB -1.021 29.277 30.300 -0.004 0.000 0.804 67 R HN 0.337 nan 8.270 nan 0.000 0.473 68 G N -0.732 107.937 108.800 -0.218 0.000 3.774 68 G HA2 0.222 4.161 3.960 -0.034 0.000 0.287 68 G HA3 0.222 4.161 3.960 -0.034 0.000 0.287 68 G C -0.730 173.985 174.900 -0.308 0.000 1.030 68 G CA -0.473 44.457 45.100 -0.283 0.000 0.824 68 G HN 0.097 nan 8.290 nan 0.000 0.518 69 F N 2.480 122.449 119.950 0.031 0.000 2.411 69 F HA 0.428 4.934 4.527 -0.036 0.000 0.350 69 F C 1.217 177.042 175.800 0.041 0.000 1.114 69 F CA -0.937 57.097 58.000 0.056 0.000 1.135 69 F CB 1.419 40.484 39.000 0.108 0.000 1.120 69 F HN 0.042 nan 8.300 nan 0.000 0.495 70 S N 3.051 118.866 115.700 0.192 0.000 2.624 70 S HA 0.319 4.768 4.470 -0.034 0.000 0.263 70 S C 1.343 176.044 174.600 0.168 0.000 1.287 70 S CA -0.832 57.422 58.200 0.090 0.000 0.990 70 S CB 0.852 64.077 63.200 0.041 0.000 0.950 70 S HN 0.611 nan 8.310 nan 0.000 0.561 71 I N 1.202 121.842 120.570 0.116 0.000 2.163 71 I HA -0.098 4.051 4.170 -0.034 0.000 0.243 71 I C -0.736 175.448 176.117 0.112 0.000 1.085 71 I CA 1.271 62.667 61.300 0.161 0.000 1.347 71 I CB -1.905 36.157 38.000 0.103 0.000 1.044 71 I HN 0.479 nan 8.210 nan 0.000 0.408 72 P HA -0.155 nan 4.420 nan 0.000 0.216 72 P C 1.349 178.692 177.300 0.071 0.000 1.150 72 P CA 1.459 64.593 63.100 0.056 0.000 0.837 72 P CB -0.037 31.685 31.700 0.036 0.000 0.786 73 E N -1.211 119.054 120.200 0.107 0.000 2.077 73 E HA -0.170 4.160 4.350 -0.034 0.000 0.193 73 E C 2.054 178.700 176.600 0.076 0.000 0.989 73 E CA 1.175 57.653 56.400 0.130 0.000 0.800 73 E CB -0.766 29.088 29.700 0.258 0.000 0.746 73 E HN 0.217 nan 8.360 nan 0.000 0.452 74 C N 0.907 120.264 119.300 0.096 0.000 2.432 74 C HA -0.120 4.320 4.460 -0.034 0.000 0.277 74 C C 2.680 177.679 174.990 0.014 0.000 1.249 74 C CA 0.441 59.480 59.018 0.035 0.000 1.725 74 C CB -0.667 27.144 27.740 0.119 0.000 2.028 74 C HN 0.462 nan 8.230 nan 0.000 0.477 75 Q N 1.311 121.137 119.800 0.042 0.000 2.112 75 Q HA -0.217 4.102 4.340 -0.034 0.000 0.206 75 Q C 2.179 178.188 176.000 0.016 0.000 0.987 75 Q CA 1.984 57.806 55.803 0.031 0.000 0.858 75 Q CB -0.200 28.562 28.738 0.039 0.000 0.905 75 Q HN 0.795 nan 8.270 nan 0.000 0.420 76 K N -0.959 119.449 120.400 0.015 0.000 2.186 76 K HA 0.039 4.338 4.320 -0.034 0.000 0.202 76 K C 2.237 178.827 176.600 -0.017 0.000 1.052 76 K CA 0.626 56.916 56.287 0.004 0.000 0.965 76 K CB -0.067 32.440 32.500 0.013 0.000 0.746 76 K HN 0.097 nan 8.250 nan 0.000 0.457 77 L N 1.301 122.498 121.223 -0.044 0.000 2.202 77 L HA 0.140 4.460 4.340 -0.034 0.000 0.205 77 L C 0.915 177.723 176.870 -0.104 0.000 1.083 77 L CA -0.025 54.761 54.840 -0.091 0.000 0.790 77 L CB -0.195 41.761 42.059 -0.171 0.000 0.942 77 L HN 0.064 nan 8.230 nan 0.000 0.452 78 L N 1.229 122.396 121.223 -0.094 0.000 2.456 78 L HA 0.151 4.470 4.340 -0.034 0.000 0.272 78 L C -2.037 174.804 176.870 -0.048 0.000 1.189 78 L CA -1.851 52.943 54.840 -0.076 0.000 0.846 78 L CB -0.314 41.712 42.059 -0.054 0.000 1.111 78 L HN -0.188 nan 8.230 nan 0.000 0.475 79 P HA 0.193 nan 4.420 nan 0.000 0.272 79 P C -0.959 176.334 177.300 -0.012 0.000 1.223 79 P CA -0.313 62.766 63.100 -0.036 0.000 0.784 79 P CB 0.808 32.478 31.700 -0.050 0.000 0.923 80 K N 0.233 120.631 120.400 -0.003 0.000 2.238 80 K HA 0.520 4.819 4.320 -0.034 0.000 0.239 80 K C 1.666 178.277 176.600 0.018 0.000 0.987 80 K CA -0.440 55.854 56.287 0.012 0.000 0.857 80 K CB 0.149 32.656 32.500 0.012 0.000 1.154 80 K HN 0.406 nan 8.250 nan 0.000 0.439 81 G N -0.279 108.540 108.800 0.031 0.000 2.470 81 G HA2 0.120 4.060 3.960 -0.034 0.000 0.220 81 G HA3 0.120 4.060 3.960 -0.034 0.000 0.220 81 G C 0.464 175.385 174.900 0.035 0.000 1.121 81 G CA 1.018 46.143 45.100 0.043 0.000 0.766 81 G HN 0.644 nan 8.290 nan 0.000 0.553 85 G N -0.166 108.653 108.800 0.030 0.000 2.815 85 G HA2 0.396 4.335 3.960 -0.034 0.000 0.215 85 G HA3 0.396 4.335 3.960 -0.034 0.000 0.215 85 G C 0.191 175.118 174.900 0.044 0.000 1.054 85 G CA 0.086 45.208 45.100 0.037 0.000 0.832 85 G HN 0.299 nan 8.290 nan 0.000 0.557 86 E N 1.448 121.675 120.200 0.046 0.000 2.242 86 E HA 0.404 4.734 4.350 -0.034 0.000 0.275 86 E C -2.298 174.321 176.600 0.032 0.000 1.002 86 E CA -2.190 54.237 56.400 0.046 0.000 0.841 86 E CB 2.191 31.925 29.700 0.057 0.000 1.109 86 E HN 0.021 nan 8.360 nan 0.000 0.394 87 P HA -0.016 nan 4.420 nan 0.000 0.268 87 P C -0.789 176.538 177.300 0.046 0.000 1.205 87 P CA -0.300 62.816 63.100 0.026 0.000 0.771 87 P CB 0.486 32.195 31.700 0.016 0.000 0.858 88 L N 6.154 127.410 121.223 0.054 0.000 2.319 88 L HA 0.169 4.488 4.340 -0.034 0.000 0.280 88 L C -1.066 175.877 176.870 0.123 0.000 1.099 88 L CA -1.961 52.936 54.840 0.095 0.000 0.828 88 L CB 0.025 42.129 42.059 0.074 0.000 1.150 88 L HN 0.291 nan 8.230 nan 0.000 0.442 89 P HA -0.129 nan 4.420 nan 0.000 0.218 89 P C 1.139 178.568 177.300 0.214 0.000 1.149 89 P CA 0.904 64.146 63.100 0.237 0.000 0.817 89 P CB 0.521 32.466 31.700 0.408 0.000 0.785 90 E N -0.053 120.237 120.200 0.149 0.000 2.108 90 E HA -0.197 4.133 4.350 -0.034 0.000 0.203 90 E C 2.323 178.983 176.600 0.099 0.000 1.022 90 E CA 2.013 58.380 56.400 -0.055 0.000 0.823 90 E CB -1.353 28.230 29.700 -0.194 0.000 0.744 90 E HN 0.294 nan 8.360 nan 0.000 0.456 91 G N 0.394 109.247 108.800 0.089 0.000 2.402 91 G HA2 -0.232 3.708 3.960 -0.034 0.000 0.216 91 G HA3 -0.232 3.708 3.960 -0.034 0.000 0.216 91 G C 1.499 176.478 174.900 0.131 0.000 1.162 91 G CA 0.663 45.818 45.100 0.091 0.000 0.777 91 G HN 0.185 nan 8.290 nan 0.000 0.539 92 L N -0.115 121.162 121.223 0.091 0.000 2.043 92 L HA -0.010 4.309 4.340 -0.034 0.000 0.212 92 L C 2.446 179.382 176.870 0.109 0.000 1.075 92 L CA 1.795 56.653 54.840 0.029 0.000 0.752 92 L CB -0.695 41.337 42.059 -0.044 0.000 0.891 92 L HN 0.232 nan 8.230 nan 0.000 0.432 93 F N -1.023 118.977 119.950 0.084 0.000 2.095 93 F HA -0.289 4.215 4.527 -0.038 0.000 0.298 93 F C 2.308 178.203 175.800 0.158 0.000 1.104 93 F CA 2.056 60.137 58.000 0.135 0.000 1.232 93 F CB -0.716 38.426 39.000 0.236 0.000 0.987 93 F HN 0.328 nan 8.300 nan 0.000 0.475 94 W N 0.870 122.176 121.300 0.009 0.000 2.335 94 W HA -0.281 4.360 4.660 -0.033 0.000 0.311 94 W C 2.214 178.673 176.519 -0.100 0.000 1.213 94 W CA 1.958 59.272 57.345 -0.052 0.000 1.274 94 W CB -0.876 28.593 29.460 0.016 0.000 1.148 94 W HN 0.235 nan 8.180 nan 0.000 0.498 95 L N 1.097 122.440 121.223 0.200 0.000 2.017 95 L HA -0.217 4.102 4.340 -0.034 0.000 0.208 95 L C 2.568 179.462 176.870 0.040 0.000 1.073 95 L CA 1.991 56.910 54.840 0.132 0.000 0.745 95 L CB -1.208 40.895 42.059 0.075 0.000 0.894 95 L HN -0.067 nan 8.230 nan 0.000 0.432 96 L N -1.518 119.689 121.223 -0.026 0.000 2.012 96 L HA -0.227 4.092 4.340 -0.034 0.000 0.210 96 L C 2.462 179.278 176.870 -0.090 0.000 1.073 96 L CA 1.351 56.172 54.840 -0.033 0.000 0.748 96 L CB -0.722 41.308 42.059 -0.049 0.000 0.891 96 L HN 0.170 nan 8.230 nan 0.000 0.431 97 V N -0.303 119.473 119.914 -0.231 0.000 2.307 97 V HA -0.247 3.852 4.120 -0.034 0.000 0.245 97 V C 2.587 178.731 176.094 0.083 0.000 1.045 97 V CA 2.413 64.635 62.300 -0.130 0.000 1.024 97 V CB -0.667 30.872 31.823 -0.473 0.000 0.651 97 V HN 0.683 nan 8.190 nan 0.000 0.449 98 T N -3.672 110.800 114.554 -0.136 0.000 3.015 98 T HA 0.332 4.662 4.350 -0.034 0.000 0.250 98 T C 1.577 176.269 174.700 -0.013 0.000 1.057 98 T CA 1.212 63.259 62.100 -0.088 0.000 1.066 98 T CB 0.907 69.625 68.868 -0.250 0.000 0.959 98 T HN 0.963 nan 8.240 nan 0.000 0.488 99 G N 1.071 109.876 108.800 0.009 0.000 2.199 99 G HA2 -0.208 3.732 3.960 -0.034 0.000 0.254 99 G HA3 -0.208 3.732 3.960 -0.034 0.000 0.254 99 G C -0.171 174.823 174.900 0.157 0.000 0.982 99 G CA 0.221 45.352 45.100 0.051 0.000 0.632 99 G HN 0.766 nan 8.290 nan 0.000 0.529 100 Q N -0.297 119.615 119.800 0.187 0.000 2.399 100 Q HA 0.721 5.041 4.340 -0.034 0.000 0.276 100 Q C 0.045 176.169 176.000 0.207 0.000 1.098 100 Q CA -1.119 54.815 55.803 0.218 0.000 0.827 100 Q CB 2.093 30.958 28.738 0.211 0.000 1.386 100 Q HN 0.296 nan 8.270 nan 0.000 0.443 101 I N 3.612 124.219 120.570 0.063 0.000 2.471 101 I HA 0.174 4.323 4.170 -0.034 0.000 0.286 101 I C -1.904 174.161 176.117 -0.086 0.000 1.079 101 I CA -1.629 59.631 61.300 -0.067 0.000 1.398 101 I CB 0.374 38.264 38.000 -0.184 0.000 1.403 101 I HN 0.344 nan 8.210 nan 0.000 0.530 102 P HA 0.191 nan 4.420 nan 0.000 0.279 102 P C -0.413 176.688 177.300 -0.331 0.000 1.252 102 P CA -0.362 62.456 63.100 -0.470 0.000 0.811 102 P CB 0.845 32.170 31.700 -0.626 0.000 1.035 103 T N -3.022 111.302 114.554 -0.383 0.000 2.874 103 T HA 0.357 4.687 4.350 -0.034 0.000 0.281 103 T C 1.703 176.264 174.700 -0.231 0.000 0.994 103 T CA -0.003 61.949 62.100 -0.247 0.000 1.015 103 T CB 0.570 69.312 68.868 -0.210 0.000 1.028 103 T HN 0.440 nan 8.240 nan 0.000 0.523 104 G N 0.518 109.230 108.800 -0.147 0.000 2.469 104 G HA2 -0.130 3.809 3.960 -0.034 0.000 0.219 104 G HA3 -0.130 3.809 3.960 -0.034 0.000 0.219 104 G C 1.722 176.551 174.900 -0.118 0.000 1.150 104 G CA 0.877 45.911 45.100 -0.111 0.000 0.763 104 G HN 1.133 nan 8.290 nan 0.000 0.561 105 A N -0.060 122.683 122.820 -0.127 0.000 1.969 105 A HA -0.025 4.274 4.320 -0.034 0.000 0.218 105 A C 2.439 179.944 177.584 -0.133 0.000 1.169 105 A CA 1.891 53.867 52.037 -0.101 0.000 0.635 105 A CB -0.263 18.685 19.000 -0.088 0.000 0.810 105 A HN 0.353 nan 8.150 nan 0.000 0.445 106 Q N -0.048 119.572 119.800 -0.300 0.000 2.020 106 Q HA -0.120 4.199 4.340 -0.034 0.000 0.202 106 Q C 2.284 178.151 176.000 -0.221 0.000 0.982 106 Q CA 1.713 57.211 55.803 -0.509 0.000 0.838 106 Q CB -1.217 26.721 28.738 -1.334 0.000 0.899 106 Q HN 0.451 nan 8.270 nan 0.000 0.423 107 V N 1.129 120.913 119.914 -0.217 0.000 2.407 107 V HA -0.202 3.898 4.120 -0.034 0.000 0.248 107 V C 2.391 178.456 176.094 -0.049 0.000 1.055 107 V CA 1.778 64.019 62.300 -0.100 0.000 1.049 107 V CB -0.658 31.103 31.823 -0.102 0.000 0.662 107 V HN 0.290 nan 8.190 nan 0.000 0.455 108 S N -1.534 114.147 115.700 -0.031 0.000 2.419 108 S HA -0.256 4.193 4.470 -0.034 0.000 0.235 108 S C 1.468 176.078 174.600 0.017 0.000 1.019 108 S CA 1.722 59.916 58.200 -0.011 0.000 0.982 108 S CB -0.413 62.789 63.200 0.004 0.000 0.789 108 S HN 0.811 nan 8.310 nan 0.000 0.490 109 W N 2.029 123.261 121.300 -0.113 0.000 2.381 109 W HA -0.062 4.576 4.660 -0.036 0.000 0.301 109 W C 1.471 177.910 176.519 -0.133 0.000 1.205 109 W CA 0.909 58.210 57.345 -0.074 0.000 1.285 109 W CB -0.391 29.061 29.460 -0.013 0.000 1.133 109 W HN 0.209 nan 8.180 nan 0.000 0.521 110 L N 0.435 121.605 121.223 -0.088 0.000 1.990 110 L HA -0.319 4.000 4.340 -0.034 0.000 0.213 110 L C 2.672 179.010 176.870 -0.886 0.000 1.072 110 L CA 1.923 56.348 54.840 -0.691 0.000 0.755 110 L CB -1.603 40.014 42.059 -0.736 0.000 0.889 110 L HN -0.136 nan 8.230 nan 0.000 0.432 111 S N 0.475 115.878 115.700 -0.495 0.000 2.392 111 S HA -0.275 4.174 4.470 -0.034 0.000 0.225 111 S C 1.869 176.334 174.600 -0.225 0.000 1.041 111 S CA 2.180 60.223 58.200 -0.262 0.000 1.100 111 S CB -0.449 62.692 63.200 -0.097 0.000 1.029 111 S HN 0.490 nan 8.310 nan 0.000 0.424 112 K N 1.500 121.761 120.400 -0.231 0.000 2.089 112 K HA -0.177 4.122 4.320 -0.034 0.000 0.210 112 K C 1.973 178.405 176.600 -0.280 0.000 1.048 112 K CA 1.738 57.901 56.287 -0.206 0.000 0.926 112 K CB -0.290 32.133 32.500 -0.128 0.000 0.714 112 K HN 0.215 nan 8.250 nan 0.000 0.448 113 E N 0.406 120.282 120.200 -0.540 0.000 2.072 113 E HA -0.142 4.187 4.350 -0.034 0.000 0.191 113 E C 1.404 177.897 176.600 -0.178 0.000 0.985 113 E CA 1.232 57.309 56.400 -0.537 0.000 0.801 113 E CB -0.157 28.878 29.700 -1.108 0.000 0.750 113 E HN 0.460 nan 8.360 nan 0.000 0.452 114 W N 0.059 121.160 121.300 -0.331 0.000 2.699 114 W HA 0.249 4.892 4.660 -0.028 0.000 0.249 114 W C 1.977 178.436 176.519 -0.100 0.000 1.280 114 W CA 0.609 57.806 57.345 -0.246 0.000 1.345 114 W CB -0.868 28.385 29.460 -0.344 0.000 1.128 114 W HN 0.214 nan 8.180 nan 0.000 0.642 115 A N 0.294 123.168 122.820 0.090 0.000 1.903 115 A HA -0.095 4.204 4.320 -0.034 0.000 0.213 115 A C 2.007 179.608 177.584 0.029 0.000 1.185 115 A CA 1.048 53.128 52.037 0.072 0.000 0.628 115 A CB -0.378 18.643 19.000 0.035 0.000 0.830 115 A HN 0.176 nan 8.150 nan 0.000 0.446 116 K N -0.293 120.100 120.400 -0.012 0.000 2.152 116 K HA -0.111 4.188 4.320 -0.034 0.000 0.206 116 K C 1.996 178.596 176.600 -0.001 0.000 1.048 116 K CA 1.484 57.761 56.287 -0.015 0.000 0.933 116 K CB -0.132 32.345 32.500 -0.039 0.000 0.721 116 K HN 0.348 nan 8.250 nan 0.000 0.447 117 R N 0.171 120.674 120.500 0.005 0.000 2.246 117 R HA 0.143 4.463 4.340 -0.034 0.000 0.199 117 R C 0.368 176.670 176.300 0.003 0.000 0.984 117 R CA 0.106 56.206 56.100 0.001 0.000 1.015 117 R CB 0.394 30.685 30.300 -0.016 0.000 0.930 117 R HN 0.002 nan 8.270 nan 0.000 0.475 118 A N 1.749 124.578 122.820 0.014 0.000 2.785 118 A HA 0.508 4.807 4.320 -0.034 0.000 0.294 118 A C -0.312 177.277 177.584 0.008 0.000 1.597 118 A CA 0.128 52.173 52.037 0.013 0.000 1.283 118 A CB -0.242 18.780 19.000 0.037 0.000 1.088 118 A HN 0.259 nan 8.150 nan 0.000 0.568 119 A N 2.375 125.197 122.820 0.003 0.000 2.488 119 A HA 0.640 4.939 4.320 -0.034 0.000 0.295 119 A C -1.378 176.202 177.584 -0.007 0.000 1.045 119 A CA -0.414 51.623 52.037 0.000 0.000 0.703 119 A CB 0.959 19.961 19.000 0.004 0.000 1.271 119 A HN 0.659 nan 8.150 nan 0.000 0.400 120 L N 3.275 124.489 121.223 -0.016 0.000 2.322 120 L HA 0.710 5.029 4.340 -0.034 0.000 0.281 120 L C -2.145 174.698 176.870 -0.046 0.000 1.014 120 L CA -1.593 53.225 54.840 -0.036 0.000 0.815 120 L CB 1.375 43.414 42.059 -0.035 0.000 1.247 120 L HN 0.529 nan 8.230 nan 0.000 0.421 121 P HA 0.236 nan 4.420 nan 0.000 0.278 121 P C 0.535 177.782 177.300 -0.089 0.000 1.238 121 P CA -0.362 62.708 63.100 -0.050 0.000 0.794 121 P CB 1.082 32.776 31.700 -0.010 0.000 0.955 122 S N 1.414 117.104 115.700 -0.017 0.000 2.402 122 S HA -0.246 4.203 4.470 -0.034 0.000 0.233 122 S C 1.695 176.282 174.600 -0.022 0.000 1.030 122 S CA 1.970 60.160 58.200 -0.015 0.000 1.003 122 S CB -0.957 62.252 63.200 0.014 0.000 0.813 122 S HN 0.740 nan 8.310 nan 0.000 0.477 123 H N -0.788 118.251 119.070 -0.051 0.000 2.423 123 H HA 0.124 4.657 4.556 -0.037 0.000 0.297 123 H C 1.822 177.103 175.328 -0.079 0.000 1.075 123 H CA 1.322 57.332 56.048 -0.062 0.000 1.342 123 H CB -0.455 29.272 29.762 -0.058 0.000 1.395 123 H HN 0.274 nan 8.280 nan 0.000 0.530 124 V N 0.852 120.383 119.914 -0.639 0.000 2.307 124 V HA -0.210 3.889 4.120 -0.034 0.000 0.245 124 V C 2.569 178.524 176.094 -0.231 0.000 1.045 124 V CA 1.380 63.415 62.300 -0.442 0.000 1.024 124 V CB -0.408 31.156 31.823 -0.433 0.000 0.651 124 V HN 0.388 nan 8.190 nan 0.000 0.449 125 V N 0.032 119.844 119.914 -0.169 0.000 2.392 125 V HA -0.285 3.814 4.120 -0.034 0.000 0.249 125 V C 2.583 178.609 176.094 -0.112 0.000 1.059 125 V CA 2.612 64.849 62.300 -0.105 0.000 1.051 125 V CB -1.011 30.769 31.823 -0.071 0.000 0.658 125 V HN 0.612 nan 8.190 nan 0.000 0.455 126 T N -0.139 114.344 114.554 -0.118 0.000 2.652 126 T HA -0.288 4.041 4.350 -0.034 0.000 0.267 126 T C 1.862 176.449 174.700 -0.188 0.000 1.039 126 T CA 2.279 64.310 62.100 -0.115 0.000 1.153 126 T CB -0.310 68.514 68.868 -0.073 0.000 0.863 126 T HN 0.453 nan 8.240 nan 0.000 0.428 127 M N 0.429 119.868 119.600 -0.269 0.000 2.117 127 M HA -0.054 4.405 4.480 -0.034 0.000 0.262 127 M C 2.063 177.903 176.300 -0.767 0.000 1.065 127 M CA 1.630 56.629 55.300 -0.501 0.000 1.114 127 M CB -0.326 31.998 32.600 -0.460 0.000 1.361 127 M HN 0.228 nan 8.290 nan 0.000 0.408 128 L N 0.292 121.240 121.223 -0.459 0.000 2.017 128 L HA -0.249 4.070 4.340 -0.034 0.000 0.208 128 L C 2.010 178.828 176.870 -0.087 0.000 1.073 128 L CA 1.355 56.072 54.840 -0.205 0.000 0.745 128 L CB -0.935 41.109 42.059 -0.025 0.000 0.894 128 L HN 0.291 nan 8.230 nan 0.000 0.432 129 D N -0.078 120.261 120.400 -0.103 0.000 2.182 129 D HA -0.172 4.447 4.640 -0.034 0.000 0.201 129 D C 1.670 177.940 176.300 -0.050 0.000 0.986 129 D CA 1.254 55.219 54.000 -0.058 0.000 0.847 129 D CB -0.346 40.422 40.800 -0.054 0.000 0.942 129 D HN 0.375 nan 8.370 nan 0.000 0.467 130 N N -1.006 117.632 118.700 -0.104 0.000 2.373 130 N HA 0.017 4.736 4.740 -0.034 0.000 0.181 130 N C -0.037 175.506 175.510 0.056 0.000 1.082 130 N CA -0.233 52.788 53.050 -0.048 0.000 0.885 130 N CB 0.187 38.630 38.487 -0.073 0.000 0.977 130 N HN -0.046 nan 8.380 nan 0.000 0.462 131 F N 1.800 121.743 119.950 -0.012 0.000 2.595 131 F HA 0.134 4.639 4.527 -0.036 0.000 0.359 131 F C -1.440 174.348 175.800 -0.020 0.000 1.147 131 F CA -2.616 55.378 58.000 -0.010 0.000 1.341 131 F CB -0.222 38.773 39.000 -0.008 0.000 1.104 131 F HN -0.035 nan 8.300 nan 0.000 0.603 132 P HA 0.150 nan 4.420 nan 0.000 0.274 132 P C 0.541 177.849 177.300 0.013 0.000 1.237 132 P CA -0.124 63.015 63.100 0.065 0.000 0.793 132 P CB 0.414 32.137 31.700 0.038 0.000 0.977 133 T N -3.084 111.462 114.554 -0.014 0.000 3.113 133 T HA -0.068 4.262 4.350 -0.034 0.000 0.256 133 T C 0.974 175.645 174.700 -0.047 0.000 1.131 133 T CA 0.333 62.401 62.100 -0.054 0.000 1.074 133 T CB -0.773 68.056 68.868 -0.066 0.000 0.944 133 T HN 0.417 nan 8.240 nan 0.000 0.516 134 N N 0.983 119.668 118.700 -0.025 0.000 2.383 134 N HA 0.076 4.796 4.740 -0.034 0.000 0.192 134 N C 0.186 175.684 175.510 -0.021 0.000 1.141 134 N CA -0.304 52.738 53.050 -0.013 0.000 0.851 134 N CB -0.302 38.186 38.487 0.002 0.000 0.976 134 N HN 0.383 nan 8.380 nan 0.000 0.465 135 L N 1.833 123.019 121.223 -0.061 0.000 2.290 135 L HA 0.248 4.567 4.340 -0.034 0.000 0.284 135 L C 0.094 176.920 176.870 -0.073 0.000 1.078 135 L CA -0.689 54.089 54.840 -0.104 0.000 0.815 135 L CB 0.236 42.134 42.059 -0.268 0.000 1.162 135 L HN 0.201 nan 8.230 nan 0.000 0.435 136 H N 6.763 125.777 119.070 -0.093 0.000 2.972 136 H HA 0.089 4.626 4.556 -0.032 0.000 0.343 136 H C -1.717 173.584 175.328 -0.045 0.000 1.054 136 H CA -0.299 55.724 56.048 -0.042 0.000 1.412 136 H CB 0.968 30.714 29.762 -0.027 0.000 1.385 136 H HN 0.551 nan 8.280 nan 0.000 0.600 137 P HA -0.222 nan 4.420 nan 0.000 0.218 137 P C 1.420 178.803 177.300 0.139 0.000 1.148 137 P CA 1.299 64.386 63.100 -0.022 0.000 0.822 137 P CB 0.187 31.909 31.700 0.036 0.000 0.784 138 M N -0.953 118.893 119.600 0.409 0.000 2.175 138 M HA -0.055 4.404 4.480 -0.034 0.000 0.264 138 M C 2.097 178.451 176.300 0.090 0.000 1.063 138 M CA 1.482 56.905 55.300 0.205 0.000 1.119 138 M CB -1.659 31.020 32.600 0.132 0.000 1.377 138 M HN -0.081 nan 8.290 nan 0.000 0.415 139 S N 0.300 116.055 115.700 0.091 0.000 2.355 139 S HA -0.133 4.316 4.470 -0.034 0.000 0.222 139 S C 1.852 176.395 174.600 -0.094 0.000 1.031 139 S CA 1.036 59.218 58.200 -0.030 0.000 0.993 139 S CB -0.165 62.991 63.200 -0.073 0.000 0.859 139 S HN 0.513 nan 8.310 nan 0.000 0.453 140 Q N 0.204 119.923 119.800 -0.135 0.000 2.124 140 Q HA -0.124 4.195 4.340 -0.034 0.000 0.202 140 Q C 2.276 178.350 176.000 0.123 0.000 0.977 140 Q CA 1.129 56.839 55.803 -0.155 0.000 0.850 140 Q CB -0.344 28.360 28.738 -0.057 0.000 0.901 140 Q HN 0.429 nan 8.270 nan 0.000 0.429 141 L N 0.088 121.375 121.223 0.106 0.000 2.023 141 L HA -0.131 4.188 4.340 -0.034 0.000 0.205 141 L C 2.454 179.403 176.870 0.132 0.000 1.073 141 L CA 2.033 56.956 54.840 0.138 0.000 0.745 141 L CB -0.784 41.347 42.059 0.121 0.000 0.900 141 L HN 0.047 nan 8.230 nan 0.000 0.435 142 S N -0.425 115.320 115.700 0.075 0.000 2.370 142 S HA -0.234 4.215 4.470 -0.034 0.000 0.226 142 S C 2.170 176.833 174.600 0.105 0.000 1.033 142 S CA 1.461 59.694 58.200 0.055 0.000 1.011 142 S CB -0.628 62.568 63.200 -0.006 0.000 0.852 142 S HN 0.677 nan 8.310 nan 0.000 0.457 143 A N 1.373 124.273 122.820 0.132 0.000 1.908 143 A HA 0.160 4.459 4.320 -0.034 0.000 0.218 143 A C 2.513 180.221 177.584 0.207 0.000 1.181 143 A CA 1.986 54.142 52.037 0.198 0.000 0.627 143 A CB -1.455 17.751 19.000 0.344 0.000 0.818 143 A HN 0.844 nan 8.150 nan 0.000 0.445 144 A N -0.389 122.568 122.820 0.229 0.000 1.933 144 A HA -0.065 4.235 4.320 -0.034 0.000 0.218 144 A C 2.082 179.744 177.584 0.131 0.000 1.175 144 A CA 1.611 53.741 52.037 0.154 0.000 0.628 144 A CB -0.533 18.561 19.000 0.157 0.000 0.814 144 A HN 0.487 nan 8.150 nan 0.000 0.444 145 I N -0.836 119.844 120.570 0.183 0.000 2.500 145 I HA -0.142 4.007 4.170 -0.034 0.000 0.252 145 I C 2.485 178.741 176.117 0.232 0.000 1.142 145 I CA 1.329 62.778 61.300 0.249 0.000 1.451 145 I CB -0.276 37.930 38.000 0.343 0.000 1.093 145 I HN 0.217 nan 8.210 nan 0.000 0.430 146 T N 0.788 115.447 114.554 0.174 0.000 2.674 146 T HA -0.195 4.135 4.350 -0.034 0.000 0.265 146 T C 2.091 176.856 174.700 0.108 0.000 1.039 146 T CA 1.571 63.756 62.100 0.142 0.000 1.150 146 T CB -0.389 68.547 68.868 0.113 0.000 0.864 146 T HN 0.458 nan 8.240 nan 0.000 0.427 147 A N 1.030 123.914 122.820 0.107 0.000 2.084 147 A HA -0.019 4.281 4.320 -0.034 0.000 0.221 147 A C 2.140 179.797 177.584 0.121 0.000 1.161 147 A CA 1.142 53.255 52.037 0.127 0.000 0.653 147 A CB -0.894 18.168 19.000 0.104 0.000 0.802 147 A HN 0.530 nan 8.150 nan 0.000 0.457 148 L N -0.241 120.971 121.223 -0.018 0.000 2.552 148 L HA -0.113 4.207 4.340 -0.034 0.000 0.227 148 L C 2.095 178.668 176.870 -0.495 0.000 1.146 148 L CA 0.980 55.685 54.840 -0.224 0.000 0.858 148 L CB -0.588 41.302 42.059 -0.282 0.000 0.969 148 L HN 0.755 nan 8.230 nan 0.000 0.451 149 N N -1.289 117.252 118.700 -0.264 0.000 2.520 149 N HA -0.185 4.534 4.740 -0.034 0.000 0.185 149 N C 1.786 177.195 175.510 -0.168 0.000 1.068 149 N CA 0.877 53.782 53.050 -0.242 0.000 0.911 149 N CB 0.033 38.531 38.487 0.019 0.000 0.961 149 N HN -0.008 nan 8.380 nan 0.000 0.446 150 S N 0.202 115.829 115.700 -0.122 0.000 2.392 150 S HA -0.162 4.288 4.470 -0.034 0.000 0.232 150 S C 1.288 175.830 174.600 -0.097 0.000 1.041 150 S CA 1.321 59.466 58.200 -0.092 0.000 1.026 150 S CB -0.263 62.910 63.200 -0.046 0.000 0.845 150 S HN 0.516 nan 8.310 nan 0.000 0.465 151 E N 0.647 120.744 120.200 -0.171 0.000 2.474 151 E HA 0.121 4.450 4.350 -0.034 0.000 0.195 151 E C 0.566 177.119 176.600 -0.078 0.000 1.039 151 E CA -0.130 56.192 56.400 -0.130 0.000 0.881 151 E CB 0.139 29.744 29.700 -0.159 0.000 0.970 151 E HN 0.349 nan 8.360 nan 0.000 0.486 152 S N 1.902 117.554 115.700 -0.080 0.000 2.575 152 S HA -0.036 4.413 4.470 -0.034 0.000 0.295 152 S C 0.964 175.650 174.600 0.143 0.000 1.267 152 S CA -0.225 58.067 58.200 0.155 0.000 1.074 152 S CB 0.348 63.707 63.200 0.264 0.000 0.829 152 S HN 0.049 nan 8.310 nan 0.000 0.497 153 N N 3.610 122.424 118.700 0.190 0.000 2.354 153 N HA -0.002 4.717 4.740 -0.034 0.000 0.179 153 N C 1.039 176.636 175.510 0.145 0.000 1.021 153 N CA 0.792 53.923 53.050 0.134 0.000 0.887 153 N CB -0.444 38.119 38.487 0.127 0.000 0.974 153 N HN 0.780 nan 8.380 nan 0.000 0.437 154 F N 1.708 121.699 119.950 0.069 0.000 2.187 154 F HA 0.136 4.643 4.527 -0.034 0.000 0.295 154 F C 2.143 177.977 175.800 0.057 0.000 1.091 154 F CA 0.882 58.910 58.000 0.047 0.000 1.308 154 F CB -0.312 38.698 39.000 0.017 0.000 1.030 154 F HN -0.011 nan 8.300 nan 0.000 0.487 155 A N 0.660 123.490 122.820 0.017 0.000 1.948 155 A HA -0.243 4.057 4.320 -0.034 0.000 0.220 155 A C 2.361 179.909 177.584 -0.060 0.000 1.177 155 A CA 2.010 54.025 52.037 -0.036 0.000 0.636 155 A CB -0.844 18.195 19.000 0.065 0.000 0.815 155 A HN 0.505 nan 8.150 nan 0.000 0.449 156 R N -0.999 119.476 120.500 -0.042 0.000 2.062 156 R HA 0.077 4.397 4.340 -0.034 0.000 0.226 156 R C 2.452 178.713 176.300 -0.064 0.000 1.125 156 R CA 1.088 57.167 56.100 -0.035 0.000 0.966 156 R CB -0.345 29.948 30.300 -0.012 0.000 0.861 156 R HN 0.441 nan 8.270 nan 0.000 0.433 157 A N 0.210 122.974 122.820 -0.094 0.000 1.865 157 A HA -0.255 4.045 4.320 -0.034 0.000 0.217 157 A C 2.004 179.495 177.584 -0.156 0.000 1.191 157 A CA 1.525 53.497 52.037 -0.109 0.000 0.623 157 A CB -1.060 17.884 19.000 -0.093 0.000 0.826 157 A HN 0.568 nan 8.150 nan 0.000 0.444 158 Y N 0.576 120.637 120.300 -0.399 0.000 2.114 158 Y HA -0.228 4.307 4.550 -0.024 0.000 0.282 158 Y C 2.743 178.542 175.900 -0.169 0.000 1.165 158 Y CA 1.783 59.669 58.100 -0.357 0.000 1.148 158 Y CB -0.536 37.557 38.460 -0.612 0.000 0.972 158 Y HN 0.337 nan 8.280 nan 0.000 0.504 159 A N 0.224 123.032 122.820 -0.021 0.000 1.917 159 A HA -0.272 4.028 4.320 -0.034 0.000 0.219 159 A C 2.000 179.533 177.584 -0.085 0.000 1.182 159 A CA 2.144 54.169 52.037 -0.019 0.000 0.633 159 A CB -0.791 18.211 19.000 0.003 0.000 0.819 159 A HN 0.683 nan 8.150 nan 0.000 0.448 160 E N -1.691 118.451 120.200 -0.097 0.000 2.418 160 E HA 0.181 4.510 4.350 -0.034 0.000 0.197 160 E C 1.089 177.610 176.600 -0.132 0.000 1.026 160 E CA 0.318 56.662 56.400 -0.094 0.000 0.862 160 E CB -0.223 29.436 29.700 -0.068 0.000 0.799 160 E HN 0.836 nan 8.360 nan 0.000 0.518 161 G N 1.976 110.642 108.800 -0.223 0.000 2.142 161 G HA2 -0.266 3.674 3.960 -0.034 0.000 0.225 161 G HA3 -0.266 3.674 3.960 -0.034 0.000 0.225 161 G C 0.324 175.124 174.900 -0.166 0.000 1.015 161 G CA 0.199 45.153 45.100 -0.243 0.000 0.716 161 G HN 0.292 nan 8.290 nan 0.000 0.508 162 I N -1.597 118.897 120.570 -0.127 0.000 3.161 162 I HA 0.444 4.593 4.170 -0.034 0.000 0.284 162 I C 1.142 177.223 176.117 -0.062 0.000 1.252 162 I CA -1.075 60.189 61.300 -0.060 0.000 1.374 162 I CB 0.286 38.292 38.000 0.010 0.000 1.359 162 I HN 0.033 nan 8.210 nan 0.000 0.606 163 L N 4.517 125.692 121.223 -0.079 0.000 2.416 163 L HA 0.178 4.497 4.340 -0.034 0.000 0.272 163 L C 1.545 178.247 176.870 -0.281 0.000 1.161 163 L CA 0.222 54.985 54.840 -0.128 0.000 0.845 163 L CB 0.621 42.624 42.059 -0.094 0.000 1.119 163 L HN 0.724 nan 8.230 nan 0.000 0.464 164 R N 2.170 122.384 120.500 -0.477 0.000 2.153 164 R HA -0.220 4.099 4.340 -0.034 0.000 0.252 164 R C 1.515 177.396 176.300 -0.697 0.000 1.158 164 R CA 1.829 57.291 56.100 -1.064 0.000 0.975 164 R CB -0.918 29.076 30.300 -0.510 0.000 0.871 164 R HN 0.739 nan 8.270 nan 0.000 0.450 165 T N 1.045 115.425 114.554 -0.290 0.000 2.803 165 T HA -0.100 4.229 4.350 -0.034 0.000 0.269 165 T C 1.467 176.165 174.700 -0.003 0.000 1.052 165 T CA 1.314 63.357 62.100 -0.096 0.000 1.136 165 T CB -0.013 68.830 68.868 -0.041 0.000 0.864 165 T HN 0.303 nan 8.240 nan 0.000 0.467 166 K N -0.154 120.204 120.400 -0.071 0.000 2.404 166 K HA 0.085 4.385 4.320 -0.034 0.000 0.194 166 K C 1.310 177.915 176.600 0.009 0.000 1.023 166 K CA -0.050 56.190 56.287 -0.078 0.000 1.094 166 K CB 0.090 32.546 32.500 -0.074 0.000 0.841 166 K HN 0.358 nan 8.250 nan 0.000 0.523 167 Y N 1.544 121.904 120.300 0.101 0.000 2.081 167 Y HA -0.314 4.218 4.550 -0.029 0.000 0.280 167 Y C 2.236 178.187 175.900 0.085 0.000 1.163 167 Y CA 0.859 59.114 58.100 0.259 0.000 1.135 167 Y CB -1.204 37.470 38.460 0.358 0.000 0.970 167 Y HN 0.374 nan 8.280 nan 0.000 0.498 168 W N 1.668 123.076 121.300 0.180 0.000 2.313 168 W HA -0.233 4.405 4.660 -0.038 0.000 0.293 168 W C 1.198 177.737 176.519 0.033 0.000 1.216 168 W CA 1.649 59.001 57.345 0.012 0.000 1.223 168 W CB -0.846 28.539 29.460 -0.125 0.000 1.138 168 W HN 0.271 nan 8.180 nan 0.000 0.535 169 E N 0.677 120.197 120.200 -1.133 0.000 2.072 169 E HA -0.208 4.121 4.350 -0.034 0.000 0.191 169 E C 2.172 178.593 176.600 -0.299 0.000 0.985 169 E CA 1.835 57.564 56.400 -1.117 0.000 0.801 169 E CB -0.409 28.664 29.700 -1.045 0.000 0.750 169 E HN 0.277 nan 8.360 nan 0.000 0.452 170 M N 0.077 119.649 119.600 -0.045 0.000 2.388 170 M HA -0.056 4.404 4.480 -0.034 0.000 0.265 170 M C 2.154 178.561 176.300 0.179 0.000 1.088 170 M CA 0.570 55.955 55.300 0.142 0.000 1.134 170 M CB 0.318 33.093 32.600 0.291 0.000 1.384 170 M HN -0.077 nan 8.290 nan 0.000 0.447 171 V N -0.677 119.302 119.914 0.107 0.000 2.343 171 V HA -0.291 3.809 4.120 -0.034 0.000 0.247 171 V C 2.147 178.274 176.094 0.055 0.000 1.051 171 V CA 1.908 64.189 62.300 -0.030 0.000 1.036 171 V CB -0.762 30.964 31.823 -0.162 0.000 0.654 171 V HN 0.534 nan 8.190 nan 0.000 0.451 172 Y N 1.166 121.470 120.300 0.006 0.000 2.181 172 Y HA -0.208 4.321 4.550 -0.034 0.000 0.288 172 Y C 2.590 178.519 175.900 0.048 0.000 1.146 172 Y CA 1.959 60.096 58.100 0.062 0.000 1.164 172 Y CB -0.067 38.472 38.460 0.132 0.000 0.982 172 Y HN 0.274 nan 8.280 nan 0.000 0.515 173 E N -0.021 120.279 120.200 0.168 0.000 2.031 173 E HA -0.244 4.085 4.350 -0.034 0.000 0.193 173 E C 2.449 179.024 176.600 -0.042 0.000 0.994 173 E CA 1.432 57.868 56.400 0.060 0.000 0.800 173 E CB -0.811 28.971 29.700 0.137 0.000 0.752 173 E HN 0.492 nan 8.360 nan 0.000 0.447 174 S N 0.909 116.610 115.700 0.002 0.000 2.368 174 S HA -0.148 4.302 4.470 -0.034 0.000 0.225 174 S C 2.191 176.632 174.600 -0.266 0.000 1.030 174 S CA 1.522 59.697 58.200 -0.041 0.000 0.999 174 S CB -0.159 63.109 63.200 0.115 0.000 0.844 174 S HN 0.286 nan 8.310 nan 0.000 0.459 175 A N 2.456 125.124 122.820 -0.254 0.000 1.873 175 A HA -0.096 4.204 4.320 -0.034 0.000 0.218 175 A C 2.418 179.765 177.584 -0.395 0.000 1.193 175 A CA 2.043 53.895 52.037 -0.310 0.000 0.629 175 A CB -0.776 18.125 19.000 -0.164 0.000 0.826 175 A HN 0.610 nan 8.150 nan 0.000 0.447 176 M N -0.392 118.976 119.600 -0.386 0.000 2.213 176 M HA -0.125 4.335 4.480 -0.034 0.000 0.263 176 M C 1.335 177.422 176.300 -0.354 0.000 1.062 176 M CA 1.382 56.460 55.300 -0.371 0.000 1.105 176 M CB -1.356 31.061 32.600 -0.306 0.000 1.385 176 M HN 0.351 nan 8.290 nan 0.000 0.417 177 D N 0.456 120.711 120.400 -0.241 0.000 2.149 177 D HA -0.088 4.531 4.640 -0.034 0.000 0.201 177 D C 2.007 178.188 176.300 -0.198 0.000 0.972 177 D CA 0.735 54.649 54.000 -0.143 0.000 0.835 177 D CB -0.210 40.595 40.800 0.009 0.000 0.966 177 D HN 0.182 nan 8.370 nan 0.000 0.476 178 L N 0.933 121.952 121.223 -0.341 0.000 2.027 178 L HA -0.044 4.275 4.340 -0.034 0.000 0.206 178 L C 2.088 178.682 176.870 -0.461 0.000 1.074 178 L CA 1.325 55.909 54.840 -0.426 0.000 0.745 178 L CB -0.844 40.784 42.059 -0.717 0.000 0.898 178 L HN -0.048 nan 8.230 nan 0.000 0.433 179 I N -0.099 120.078 120.570 -0.655 0.000 2.208 179 I HA -0.306 3.843 4.170 -0.034 0.000 0.245 179 I C 2.594 178.298 176.117 -0.687 0.000 1.097 179 I CA 1.306 62.081 61.300 -0.876 0.000 1.363 179 I CB -0.614 36.449 38.000 -1.562 0.000 1.051 179 I HN 0.355 nan 8.210 nan 0.000 0.413 180 A N 0.666 123.120 122.820 -0.610 0.000 1.902 180 A HA -0.233 4.066 4.320 -0.034 0.000 0.217 180 A C 2.305 179.847 177.584 -0.071 0.000 1.181 180 A CA 1.765 53.661 52.037 -0.234 0.000 0.623 180 A CB -0.415 18.499 19.000 -0.144 0.000 0.818 180 A HN 0.370 nan 8.150 nan 0.000 0.443 181 K N -0.510 119.825 120.400 -0.109 0.000 2.167 181 K HA 0.151 4.450 4.320 -0.034 0.000 0.203 181 K C 1.807 178.359 176.600 -0.079 0.000 1.052 181 K CA 0.631 56.885 56.287 -0.056 0.000 0.956 181 K CB -0.319 32.177 32.500 -0.008 0.000 0.735 181 K HN 0.404 nan 8.250 nan 0.000 0.451 182 L N 1.456 122.606 121.223 -0.122 0.000 2.011 182 L HA -0.238 4.082 4.340 -0.034 0.000 0.225 182 L C -0.766 175.949 176.870 -0.259 0.000 1.084 182 L CA 1.921 56.673 54.840 -0.147 0.000 0.791 182 L CB -1.315 40.641 42.059 -0.173 0.000 0.898 182 L HN 0.157 nan 8.230 nan 0.000 0.440 183 P HA -0.115 nan 4.420 nan 0.000 0.220 183 P C 1.642 178.756 177.300 -0.311 0.000 1.148 183 P CA 1.409 63.989 63.100 -0.866 0.000 0.803 183 P CB -0.293 30.691 31.700 -1.193 0.000 0.782 184 C N -1.061 118.152 119.300 -0.145 0.000 2.440 184 C HA -0.030 4.409 4.460 -0.034 0.000 0.278 184 C C 2.918 177.926 174.990 0.030 0.000 1.295 184 C CA 0.384 59.389 59.018 -0.021 0.000 1.738 184 C CB -1.526 26.207 27.740 -0.011 0.000 1.987 184 C HN 0.108 nan 8.230 nan 0.000 0.492 185 V N 1.630 121.555 119.914 0.017 0.000 2.358 185 V HA -0.148 3.951 4.120 -0.034 0.000 0.246 185 V C 2.772 178.952 176.094 0.143 0.000 1.047 185 V CA 2.138 64.480 62.300 0.071 0.000 1.035 185 V CB -1.303 30.563 31.823 0.072 0.000 0.658 185 V HN 0.568 nan 8.190 nan 0.000 0.452 186 A N 0.121 123.024 122.820 0.139 0.000 1.902 186 A HA -0.089 4.211 4.320 -0.034 0.000 0.217 186 A C 2.377 180.252 177.584 0.486 0.000 1.181 186 A CA 2.070 54.288 52.037 0.301 0.000 0.623 186 A CB -0.689 18.436 19.000 0.208 0.000 0.818 186 A HN 0.560 nan 8.150 nan 0.000 0.443 187 A N -0.645 122.419 122.820 0.407 0.000 1.968 187 A HA -0.051 4.248 4.320 -0.034 0.000 0.217 187 A C 2.075 179.817 177.584 0.264 0.000 1.169 187 A CA 1.761 54.029 52.037 0.384 0.000 0.638 187 A CB -0.340 18.869 19.000 0.347 0.000 0.812 187 A HN 0.511 nan 8.150 nan 0.000 0.446 188 K N -0.215 120.300 120.400 0.192 0.000 2.148 188 K HA 0.015 4.315 4.320 -0.034 0.000 0.204 188 K C 1.666 178.342 176.600 0.126 0.000 1.050 188 K CA 1.153 57.516 56.287 0.126 0.000 0.942 188 K CB -0.255 32.297 32.500 0.085 0.000 0.724 188 K HN 0.519 nan 8.250 nan 0.000 0.446 189 I N -0.082 120.604 120.570 0.195 0.000 2.252 189 I HA -0.283 3.867 4.170 -0.034 0.000 0.245 189 I C 2.046 178.214 176.117 0.086 0.000 1.102 189 I CA 1.090 62.498 61.300 0.181 0.000 1.385 189 I CB -0.284 37.906 38.000 0.317 0.000 1.064 189 I HN 0.221 nan 8.210 nan 0.000 0.414 190 Y N 1.738 122.049 120.300 0.018 0.000 2.097 190 Y HA -0.329 4.199 4.550 -0.036 0.000 0.282 190 Y C 2.752 178.580 175.900 -0.121 0.000 1.152 190 Y CA 1.798 59.788 58.100 -0.184 0.000 1.136 190 Y CB -0.241 38.032 38.460 -0.313 0.000 0.975 190 Y HN -0.075 nan 8.280 nan 0.000 0.498 191 R N 0.642 121.171 120.500 0.048 0.000 2.083 191 R HA -0.179 4.141 4.340 -0.034 0.000 0.237 191 R C 2.090 178.322 176.300 -0.113 0.000 1.137 191 R CA 2.197 58.291 56.100 -0.010 0.000 0.951 191 R CB -0.773 29.568 30.300 0.069 0.000 0.851 191 R HN 0.554 nan 8.270 nan 0.000 0.434 192 N N -0.673 117.964 118.700 -0.105 0.000 2.084 192 N HA -0.169 4.550 4.740 -0.034 0.000 0.190 192 N C 1.191 176.553 175.510 -0.246 0.000 1.030 192 N CA 0.934 53.907 53.050 -0.128 0.000 0.849 192 N CB -0.089 38.356 38.487 -0.069 0.000 1.012 192 N HN 0.022 nan 8.380 nan 0.000 0.423 193 L N -0.217 120.731 121.223 -0.458 0.000 2.072 193 L HA -0.074 4.245 4.340 -0.034 0.000 0.205 193 L C 1.185 177.596 176.870 -0.765 0.000 1.079 193 L CA 1.723 56.119 54.840 -0.739 0.000 0.752 193 L CB -0.751 40.501 42.059 -1.345 0.000 0.906 193 L HN 0.252 nan 8.230 nan 0.000 0.436 194 Y N -1.637 118.458 120.300 -0.342 0.000 2.462 194 Y HA 0.263 4.791 4.550 -0.036 0.000 0.253 194 Y C 1.188 176.914 175.900 -0.290 0.000 1.095 194 Y CA -0.298 57.566 58.100 -0.392 0.000 1.283 194 Y CB 0.177 38.186 38.460 -0.752 0.000 1.138 194 Y HN -0.044 nan 8.280 nan 0.000 0.522 195 R N 0.632 121.043 120.500 -0.148 0.000 2.776 195 R HA 0.465 4.785 4.340 -0.034 0.000 0.391 195 R C 0.005 176.260 176.300 -0.074 0.000 1.116 195 R CA -0.486 55.560 56.100 -0.089 0.000 1.056 195 R CB -0.161 30.102 30.300 -0.062 0.000 1.369 195 R HN 0.082 nan 8.270 nan 0.000 0.590 196 A N 0.339 123.110 122.820 -0.082 0.000 2.600 196 A HA 0.277 4.576 4.320 -0.034 0.000 0.244 196 A C 1.428 178.984 177.584 -0.046 0.000 1.016 196 A CA 1.602 53.599 52.037 -0.066 0.000 0.778 196 A CB -0.303 18.660 19.000 -0.062 0.000 0.920 196 A HN 0.772 nan 8.150 nan 0.000 0.513 197 G N 1.220 109.997 108.800 -0.038 0.000 2.213 197 G HA2 -0.136 3.804 3.960 -0.034 0.000 0.236 197 G HA3 -0.136 3.804 3.960 -0.034 0.000 0.236 197 G C 0.669 175.554 174.900 -0.024 0.000 0.991 197 G CA 0.874 45.957 45.100 -0.029 0.000 0.629 197 G HN 2.308 nan 8.290 nan 0.000 0.517 198 S N -0.458 115.227 115.700 -0.025 0.000 2.669 198 S HA 0.791 5.240 4.470 -0.034 0.000 0.270 198 S C 0.127 174.723 174.600 -0.008 0.000 1.225 198 S CA 0.748 58.937 58.200 -0.018 0.000 0.991 198 S CB 2.052 65.239 63.200 -0.022 0.000 0.987 198 S HN 1.826 nan 8.310 nan 0.000 0.552 199 S N 0.052 115.752 115.700 0.000 0.000 2.548 199 S HA 0.400 4.849 4.470 -0.034 0.000 0.286 199 S C 0.839 175.452 174.600 0.022 0.000 1.098 199 S CA -0.720 57.485 58.200 0.009 0.000 0.930 199 S CB 0.836 64.038 63.200 0.004 0.000 1.070 199 S HN 1.028 nan 8.310 nan 0.000 0.480 200 I N 1.723 122.314 120.570 0.035 0.000 2.916 200 I HA 0.376 4.525 4.170 -0.034 0.000 0.267 200 I C 1.217 177.359 176.117 0.041 0.000 1.263 200 I CA 0.562 61.894 61.300 0.052 0.000 1.471 200 I CB -1.344 36.699 38.000 0.073 0.000 1.089 200 I HN 1.013 nan 8.210 nan 0.000 0.468 201 G N 1.104 109.920 108.800 0.026 0.000 2.750 201 G HA2 -0.018 3.922 3.960 -0.034 0.000 0.228 201 G HA3 -0.018 3.922 3.960 -0.034 0.000 0.228 201 G C -0.282 174.631 174.900 0.021 0.000 1.367 201 G CA -0.292 44.820 45.100 0.021 0.000 0.871 201 G HN 0.982 nan 8.290 nan 0.000 0.560 202 A N -0.844 121.986 122.820 0.016 0.000 2.282 202 A HA 0.794 5.093 4.320 -0.034 0.000 0.319 202 A C 0.353 177.945 177.584 0.014 0.000 1.121 202 A CA -0.401 51.643 52.037 0.013 0.000 0.836 202 A CB 0.871 19.875 19.000 0.007 0.000 1.146 202 A HN 1.161 nan 8.150 nan 0.000 0.494 203 I N 1.158 121.736 120.570 0.014 0.000 2.396 203 I HA 0.175 4.325 4.170 -0.034 0.000 0.292 203 I C -0.637 175.482 176.117 0.004 0.000 0.999 203 I CA -0.197 61.112 61.300 0.016 0.000 1.310 203 I CB 1.324 39.342 38.000 0.030 0.000 1.404 203 I HN 0.659 nan 8.210 nan 0.000 0.496 204 D N 4.372 124.766 120.400 -0.010 0.000 2.349 204 D HA 0.171 4.790 4.640 -0.034 0.000 0.232 204 D C 0.712 177.000 176.300 -0.020 0.000 1.071 204 D CA -0.415 53.570 54.000 -0.025 0.000 0.832 204 D CB 1.532 42.298 40.800 -0.056 0.000 1.086 204 D HN 0.446 nan 8.370 nan 0.000 0.504 205 S N 3.168 118.860 115.700 -0.013 0.000 2.500 205 S HA -0.142 4.307 4.470 -0.034 0.000 0.239 205 S C 1.297 175.886 174.600 -0.018 0.000 0.989 205 S CA 0.750 58.943 58.200 -0.011 0.000 0.951 205 S CB 0.007 63.199 63.200 -0.014 0.000 0.759 205 S HN 0.491 nan 8.310 nan 0.000 0.523 206 K N 0.627 121.011 120.400 -0.026 0.000 2.426 206 K HA 0.298 4.598 4.320 -0.034 0.000 0.193 206 K C 0.199 176.779 176.600 -0.034 0.000 1.028 206 K CA 0.170 56.441 56.287 -0.026 0.000 1.047 206 K CB -0.026 32.462 32.500 -0.020 0.000 0.821 206 K HN 0.338 nan 8.250 nan 0.000 0.513 207 L N 1.380 122.569 121.223 -0.056 0.000 2.365 207 L HA 0.244 4.563 4.340 -0.034 0.000 0.267 207 L C 0.239 177.129 176.870 0.032 0.000 1.033 207 L CA -1.279 53.523 54.840 -0.064 0.000 0.802 207 L CB 0.641 42.536 42.059 -0.273 0.000 1.267 207 L HN 0.175 nan 8.230 nan 0.000 0.457 208 D N -0.906 119.552 120.400 0.097 0.000 2.339 208 D HA -0.089 4.531 4.640 -0.034 0.000 0.245 208 D C 0.635 177.103 176.300 0.280 0.000 1.115 208 D CA -0.516 53.587 54.000 0.172 0.000 0.917 208 D CB 1.264 42.167 40.800 0.171 0.000 1.192 208 D HN 0.666 nan 8.370 nan 0.000 0.428 209 W N 2.304 123.679 121.300 0.125 0.000 2.305 209 W HA -0.282 4.354 4.660 -0.039 0.000 0.308 209 W C 2.257 178.887 176.519 0.185 0.000 1.226 209 W CA 2.323 59.771 57.345 0.171 0.000 1.253 209 W CB -0.383 29.262 29.460 0.308 0.000 1.146 209 W HN 0.395 nan 8.180 nan 0.000 0.507 210 S N -1.730 114.142 115.700 0.287 0.000 2.356 210 S HA -0.310 4.139 4.470 -0.034 0.000 0.223 210 S C 1.643 176.322 174.600 0.131 0.000 1.032 210 S CA 1.619 59.886 58.200 0.112 0.000 1.005 210 S CB -0.913 62.352 63.200 0.108 0.000 0.867 210 S HN 0.581 nan 8.310 nan 0.000 0.449 211 H N 0.832 119.934 119.070 0.053 0.000 2.353 211 H HA -0.001 4.534 4.556 -0.035 0.000 0.300 211 H C 2.136 177.502 175.328 0.063 0.000 1.090 211 H CA 1.344 57.421 56.048 0.048 0.000 1.327 211 H CB -0.057 29.737 29.762 0.054 0.000 1.383 211 H HN 0.386 nan 8.280 nan 0.000 0.508 212 N N -0.509 118.295 118.700 0.174 0.000 2.120 212 N HA -0.169 4.550 4.740 -0.034 0.000 0.188 212 N C 1.593 177.197 175.510 0.157 0.000 1.024 212 N CA 0.870 53.977 53.050 0.095 0.000 0.852 212 N CB -0.094 38.432 38.487 0.066 0.000 1.003 212 N HN 0.197 nan 8.380 nan 0.000 0.424 213 F N 1.959 121.850 119.950 -0.098 0.000 2.075 213 F HA -0.174 4.333 4.527 -0.034 0.000 0.297 213 F C 2.665 178.446 175.800 -0.032 0.000 1.113 213 F CA 1.726 59.631 58.000 -0.159 0.000 1.218 213 F CB -1.301 37.480 39.000 -0.364 0.000 0.984 213 F HN 0.079 nan 8.300 nan 0.000 0.472 214 T N -2.065 112.520 114.554 0.052 0.000 2.881 214 T HA -0.185 4.144 4.350 -0.034 0.000 0.270 214 T C 1.827 176.620 174.700 0.154 0.000 1.068 214 T CA 1.639 63.775 62.100 0.060 0.000 1.131 214 T CB -1.011 67.930 68.868 0.121 0.000 0.871 214 T HN 0.432 nan 8.240 nan 0.000 0.479 215 N N 0.828 119.640 118.700 0.186 0.000 2.080 215 N HA 0.025 4.744 4.740 -0.034 0.000 0.189 215 N C 2.063 177.634 175.510 0.102 0.000 1.036 215 N CA 1.452 54.590 53.050 0.145 0.000 0.846 215 N CB -0.271 38.294 38.487 0.131 0.000 1.015 215 N HN 0.355 nan 8.380 nan 0.000 0.423 216 M N 0.620 120.295 119.600 0.125 0.000 2.279 216 M HA -0.101 4.358 4.480 -0.034 0.000 0.264 216 M C 1.758 178.130 176.300 0.119 0.000 1.062 216 M CA 1.110 56.485 55.300 0.126 0.000 1.099 216 M CB -0.166 32.539 32.600 0.174 0.000 1.394 216 M HN 0.183 nan 8.290 nan 0.000 0.426 217 L N -0.776 120.494 121.223 0.079 0.000 2.217 217 L HA 0.005 4.324 4.340 -0.034 0.000 0.211 217 L C 1.560 178.461 176.870 0.052 0.000 1.107 217 L CA 0.911 55.770 54.840 0.030 0.000 0.783 217 L CB -0.471 41.498 42.059 -0.151 0.000 0.919 217 L HN 0.600 nan 8.230 nan 0.000 0.442 218 G N -1.885 106.920 108.800 0.009 0.000 2.148 218 G HA2 -0.259 3.680 3.960 -0.034 0.000 0.203 218 G HA3 -0.259 3.680 3.960 -0.034 0.000 0.203 218 G C -0.133 174.537 174.900 -0.382 0.000 0.993 218 G CA -0.652 44.354 45.100 -0.157 0.000 0.661 218 G HN 0.196 nan 8.290 nan 0.000 0.518 219 Y N 0.744 120.957 120.300 -0.145 0.000 2.310 219 Y HA 0.476 5.006 4.550 -0.034 0.000 0.326 219 Y C 1.895 177.742 175.900 -0.088 0.000 1.151 219 Y CA 0.585 58.550 58.100 -0.225 0.000 1.195 219 Y CB 1.808 39.943 38.460 -0.541 0.000 1.210 219 Y HN 0.198 nan 8.280 nan 0.000 0.483 220 T N -2.966 111.593 114.554 0.008 0.000 3.000 220 T HA 0.011 4.340 4.350 -0.034 0.000 0.248 220 T C 0.354 175.090 174.700 0.059 0.000 1.034 220 T CA -0.135 61.986 62.100 0.034 0.000 1.060 220 T CB -0.087 68.780 68.868 -0.001 0.000 0.983 220 T HN 0.532 nan 8.240 nan 0.000 0.482 221 D N 1.839 122.291 120.400 0.087 0.000 2.531 221 D HA 0.185 4.805 4.640 -0.034 0.000 0.239 221 D C 1.413 177.762 176.300 0.081 0.000 1.144 221 D CA 0.543 54.610 54.000 0.112 0.000 0.869 221 D CB 1.232 42.151 40.800 0.197 0.000 1.160 221 D HN 0.343 nan 8.370 nan 0.000 0.484 222 A N 4.728 127.573 122.820 0.041 0.000 1.972 222 A HA -0.191 4.108 4.320 -0.034 0.000 0.219 222 A C 1.906 179.465 177.584 -0.042 0.000 1.169 222 A CA 1.039 53.066 52.037 -0.016 0.000 0.635 222 A CB -0.172 18.829 19.000 0.002 0.000 0.810 222 A HN 0.583 nan 8.150 nan 0.000 0.446 223 Q N -1.855 117.942 119.800 -0.005 0.000 2.311 223 Q HA -0.012 4.308 4.340 -0.034 0.000 0.203 223 Q C 1.646 177.457 176.000 -0.314 0.000 0.954 223 Q CA 0.667 56.413 55.803 -0.095 0.000 0.885 223 Q CB -0.359 28.391 28.738 0.021 0.000 0.963 223 Q HN 0.731 nan 8.270 nan 0.000 0.471 224 F N 1.298 120.939 119.950 -0.515 0.000 2.171 224 F HA -0.175 4.331 4.527 -0.035 0.000 0.300 224 F C 1.975 177.503 175.800 -0.453 0.000 1.090 224 F CA 1.534 59.106 58.000 -0.714 0.000 1.293 224 F CB -0.178 38.543 39.000 -0.465 0.000 1.013 224 F HN -0.004 nan 8.300 nan 0.000 0.486 225 T N 0.078 114.459 114.554 -0.287 0.000 2.746 225 T HA -0.172 4.157 4.350 -0.034 0.000 0.267 225 T C 1.798 176.316 174.700 -0.303 0.000 1.039 225 T CA 1.591 63.506 62.100 -0.308 0.000 1.142 225 T CB -0.255 68.432 68.868 -0.301 0.000 0.866 225 T HN 0.297 nan 8.240 nan 0.000 0.444 226 E N 0.754 120.809 120.200 -0.242 0.000 2.106 226 E HA -0.041 4.289 4.350 -0.034 0.000 0.192 226 E C 2.261 178.727 176.600 -0.223 0.000 0.984 226 E CA 0.604 56.916 56.400 -0.147 0.000 0.806 226 E CB -0.387 29.281 29.700 -0.052 0.000 0.750 226 E HN 0.320 nan 8.360 nan 0.000 0.458 227 L N 0.624 121.591 121.223 -0.427 0.000 2.042 227 L HA -0.175 4.144 4.340 -0.034 0.000 0.210 227 L C 2.395 178.910 176.870 -0.592 0.000 1.076 227 L CA 1.593 55.999 54.840 -0.723 0.000 0.749 227 L CB -0.465 41.041 42.059 -0.922 0.000 0.893 227 L HN 0.055 nan 8.230 nan 0.000 0.432 228 M N -0.330 118.859 119.600 -0.685 0.000 2.080 228 M HA -0.200 4.259 4.480 -0.034 0.000 0.260 228 M C 2.339 178.515 176.300 -0.206 0.000 1.068 228 M CA 1.798 56.780 55.300 -0.530 0.000 1.109 228 M CB -0.368 31.879 32.600 -0.587 0.000 1.342 228 M HN 0.216 nan 8.290 nan 0.000 0.405 229 R N -0.923 119.489 120.500 -0.148 0.000 2.096 229 R HA -0.142 4.177 4.340 -0.034 0.000 0.235 229 R C 2.098 178.404 176.300 0.010 0.000 1.127 229 R CA 1.479 57.575 56.100 -0.007 0.000 0.968 229 R CB -1.063 29.238 30.300 0.002 0.000 0.861 229 R HN 0.329 nan 8.270 nan 0.000 0.440 230 L N 0.184 121.369 121.223 -0.064 0.000 2.056 230 L HA -0.164 4.155 4.340 -0.034 0.000 0.207 230 L C 2.181 179.030 176.870 -0.034 0.000 1.078 230 L CA 1.603 56.404 54.840 -0.064 0.000 0.749 230 L CB -0.714 41.256 42.059 -0.149 0.000 0.901 230 L HN 0.065 nan 8.230 nan 0.000 0.433 231 Y N -0.005 120.182 120.300 -0.187 0.000 2.089 231 Y HA -0.218 4.310 4.550 -0.037 0.000 0.282 231 Y C 2.251 178.169 175.900 0.031 0.000 1.139 231 Y CA 2.078 60.106 58.100 -0.120 0.000 1.123 231 Y CB -0.482 37.797 38.460 -0.301 0.000 0.980 231 Y HN 0.173 nan 8.280 nan 0.000 0.493 232 L N -0.832 120.588 121.223 0.328 0.000 2.353 232 L HA -0.207 4.113 4.340 -0.034 0.000 0.220 232 L C 2.134 179.153 176.870 0.249 0.000 1.133 232 L CA 1.535 56.573 54.840 0.329 0.000 0.798 232 L CB -0.713 41.556 42.059 0.349 0.000 0.922 232 L HN 0.245 nan 8.230 nan 0.000 0.445 233 T N 0.229 114.873 114.554 0.150 0.000 2.852 233 T HA -0.026 4.303 4.350 -0.034 0.000 0.256 233 T C 1.867 176.570 174.700 0.005 0.000 1.038 233 T CA 1.230 63.366 62.100 0.060 0.000 1.141 233 T CB -0.036 68.850 68.868 0.029 0.000 0.869 233 T HN 0.445 nan 8.240 nan 0.000 0.439 234 I N -0.383 120.195 120.570 0.012 0.000 2.546 234 I HA -0.056 4.094 4.170 -0.034 0.000 0.255 234 I C 1.876 177.960 176.117 -0.055 0.000 1.163 234 I CA 1.594 62.885 61.300 -0.016 0.000 1.457 234 I CB -0.540 37.379 38.000 -0.135 0.000 1.092 234 I HN 0.188 nan 8.210 nan 0.000 0.434 235 H N 0.632 119.620 119.070 -0.137 0.000 2.551 235 H HA 0.158 4.692 4.556 -0.037 0.000 0.266 235 H C 2.349 177.772 175.328 0.159 0.000 0.977 235 H CA 0.637 56.596 56.048 -0.149 0.000 1.163 235 H CB 0.033 29.532 29.762 -0.438 0.000 1.381 235 H HN 0.305 nan 8.280 nan 0.000 0.581 236 S N -0.094 115.756 115.700 0.250 0.000 2.422 236 S HA -0.218 4.232 4.470 -0.034 0.000 0.248 236 S C 0.687 175.505 174.600 0.365 0.000 1.069 236 S CA 2.118 60.462 58.200 0.241 0.000 1.214 236 S CB -0.149 63.039 63.200 -0.021 0.000 1.122 236 S HN 0.531 nan 8.310 nan 0.000 0.432 237 D N -2.357 118.326 120.400 0.472 0.000 2.661 237 D HA 0.412 5.031 4.640 -0.034 0.000 0.228 237 D C -1.094 175.583 176.300 0.629 0.000 1.210 237 D CA -0.425 53.910 54.000 0.558 0.000 0.826 237 D CB 1.115 42.278 40.800 0.604 0.000 1.542 237 D HN 0.298 nan 8.370 nan 0.000 0.447 238 H N 2.681 121.937 119.070 0.309 0.000 2.806 238 H HA 0.196 4.729 4.556 -0.038 0.000 0.218 238 H C -0.526 174.831 175.328 0.048 0.000 1.392 238 H CA -0.069 56.084 56.048 0.175 0.000 1.358 238 H CB 0.469 30.351 29.762 0.200 0.000 1.944 238 H HN 0.743 nan 8.280 nan 0.000 0.530 239 E N -1.083 119.127 120.200 0.017 0.000 9.227 239 E HA -0.204 4.126 4.350 -0.034 0.000 0.395 239 E C 0.218 176.409 176.600 -0.681 0.000 1.429 239 E CA 0.982 57.282 56.400 -0.166 0.000 2.482 239 E CB -1.090 28.510 29.700 -0.167 0.000 1.056 239 E HN 0.459 nan 8.360 nan 0.000 0.417 240 G N -0.413 107.792 108.800 -0.992 0.000 2.603 240 G HA2 0.185 4.125 3.960 -0.034 0.000 0.214 240 G HA3 0.185 4.125 3.960 -0.034 0.000 0.214 240 G C 1.138 175.685 174.900 -0.589 0.000 1.140 240 G CA 0.525 44.825 45.100 -1.333 0.000 0.800 240 G HN 0.831 nan 8.290 nan 0.000 0.533 241 G N 0.582 109.146 108.800 -0.394 0.000 2.813 241 G HA2 0.034 3.973 3.960 -0.034 0.000 0.209 241 G HA3 0.034 3.973 3.960 -0.034 0.000 0.209 241 G C 0.670 175.476 174.900 -0.158 0.000 1.150 241 G CA 0.077 45.002 45.100 -0.291 0.000 0.785 241 G HN 0.623 nan 8.290 nan 0.000 0.535 242 N N -0.258 118.364 118.700 -0.130 0.000 2.453 242 N HA 0.164 4.883 4.740 -0.034 0.000 0.253 242 N C 1.186 176.614 175.510 -0.137 0.000 1.252 242 N CA -0.234 52.745 53.050 -0.117 0.000 0.917 242 N CB 1.362 39.867 38.487 0.028 0.000 1.117 242 N HN -0.172 nan 8.380 nan 0.000 0.442 243 V N 0.922 120.621 119.914 -0.358 0.000 2.250 243 V HA -0.349 3.750 4.120 -0.034 0.000 0.250 243 V C 2.473 178.553 176.094 -0.023 0.000 1.060 243 V CA 2.565 64.725 62.300 -0.234 0.000 1.030 243 V CB -1.352 30.256 31.823 -0.359 0.000 0.643 243 V HN 0.941 nan 8.190 nan 0.000 0.445 244 S N 1.041 116.839 115.700 0.164 0.000 2.345 244 S HA -0.149 4.301 4.470 -0.034 0.000 0.220 244 S C 2.150 176.833 174.600 0.138 0.000 1.031 244 S CA 1.383 59.688 58.200 0.175 0.000 0.996 244 S CB -0.761 62.538 63.200 0.165 0.000 0.882 244 S HN 0.627 nan 8.310 nan 0.000 0.445 245 A N 2.026 124.942 122.820 0.159 0.000 1.865 245 A HA -0.198 4.101 4.320 -0.034 0.000 0.217 245 A C 2.217 179.920 177.584 0.199 0.000 1.191 245 A CA 1.836 53.973 52.037 0.168 0.000 0.623 245 A CB -1.632 17.366 19.000 -0.003 0.000 0.826 245 A HN 0.822 nan 8.150 nan 0.000 0.444 246 H N -0.698 118.362 119.070 -0.016 0.000 2.352 246 H HA -0.136 4.423 4.556 0.006 0.000 0.299 246 H C 2.108 177.497 175.328 0.102 0.000 1.097 246 H CA 1.679 57.734 56.048 0.011 0.000 1.311 246 H CB 0.104 29.830 29.762 -0.059 0.000 1.377 246 H HN 0.474 nan 8.280 nan 0.000 0.504 247 T N -0.141 114.437 114.554 0.041 0.000 2.746 247 T HA -0.198 4.132 4.350 -0.034 0.000 0.267 247 T C 2.351 177.095 174.700 0.073 0.000 1.039 247 T CA 1.604 63.690 62.100 -0.024 0.000 1.142 247 T CB -0.391 68.453 68.868 -0.039 0.000 0.866 247 T HN 0.549 nan 8.240 nan 0.000 0.444 248 S N 1.001 116.789 115.700 0.146 0.000 2.383 248 S HA -0.188 4.262 4.470 -0.034 0.000 0.227 248 S C 1.888 176.633 174.600 0.242 0.000 1.026 248 S CA 1.496 59.806 58.200 0.183 0.000 0.981 248 S CB -0.697 62.647 63.200 0.239 0.000 0.818 248 S HN 0.721 nan 8.310 nan 0.000 0.472 249 H N 1.185 120.386 119.070 0.218 0.000 2.326 249 H HA 0.072 4.600 4.556 -0.046 0.000 0.301 249 H C 2.051 177.497 175.328 0.197 0.000 1.081 249 H CA 1.578 57.783 56.048 0.262 0.000 1.334 249 H CB -0.435 29.555 29.762 0.380 0.000 1.385 249 H HN 0.338 nan 8.280 nan 0.000 0.504 250 L N 0.111 121.512 121.223 0.295 0.000 1.989 250 L HA -0.141 4.178 4.340 -0.034 0.000 0.211 250 L C 2.229 179.133 176.870 0.056 0.000 1.071 250 L CA 1.620 56.539 54.840 0.131 0.000 0.749 250 L CB -0.924 41.131 42.059 -0.006 0.000 0.890 250 L HN 0.274 nan 8.230 nan 0.000 0.431 251 V N 0.278 120.221 119.914 0.048 0.000 2.358 251 V HA -0.178 3.922 4.120 -0.034 0.000 0.246 251 V C 2.618 178.723 176.094 0.018 0.000 1.047 251 V CA 1.751 64.067 62.300 0.028 0.000 1.035 251 V CB -1.529 30.313 31.823 0.031 0.000 0.658 251 V HN 0.659 nan 8.190 nan 0.000 0.452 252 G N 0.101 108.917 108.800 0.026 0.000 2.448 252 G HA2 -0.252 3.687 3.960 -0.034 0.000 0.219 252 G HA3 -0.252 3.687 3.960 -0.034 0.000 0.219 252 G C 1.811 176.687 174.900 -0.040 0.000 1.127 252 G CA 1.223 46.312 45.100 -0.019 0.000 0.766 252 G HN 0.651 nan 8.290 nan 0.000 0.552 253 S N 0.686 116.369 115.700 -0.028 0.000 2.442 253 S HA 0.195 4.645 4.470 -0.034 0.000 0.236 253 S C 2.278 176.888 174.600 0.017 0.000 1.007 253 S CA 1.253 59.445 58.200 -0.014 0.000 0.965 253 S CB -0.192 62.997 63.200 -0.019 0.000 0.773 253 S HN 0.532 nan 8.310 nan 0.000 0.504 254 A N 0.931 123.754 122.820 0.005 0.000 2.251 254 A HA 0.583 4.882 4.320 -0.034 0.000 0.209 254 A C 1.198 178.763 177.584 -0.032 0.000 1.187 254 A CA 0.355 52.393 52.037 0.002 0.000 0.823 254 A CB -0.749 18.250 19.000 -0.001 0.000 0.846 254 A HN 0.941 nan 8.150 nan 0.000 0.486 255 L N -1.762 119.436 121.223 -0.043 0.000 4.613 255 L HA -0.164 4.156 4.340 -0.034 0.000 0.409 255 L C 0.204 177.049 176.870 -0.042 0.000 1.100 255 L CA 0.028 54.822 54.840 -0.077 0.000 1.029 255 L CB -2.945 39.032 42.059 -0.137 0.000 2.137 255 L HN 0.145 nan 8.230 nan 0.000 0.713 256 S N 1.094 116.778 115.700 -0.028 0.000 2.549 256 S HA 0.297 4.747 4.470 -0.034 0.000 0.283 256 S C 0.591 175.219 174.600 0.047 0.000 1.320 256 S CA 0.056 58.265 58.200 0.016 0.000 1.058 256 S CB 0.799 64.010 63.200 0.019 0.000 0.882 256 S HN 0.484 nan 8.310 nan 0.000 0.498 257 D N 3.196 123.685 120.400 0.147 0.000 2.354 257 D HA 0.094 4.713 4.640 -0.034 0.000 0.238 257 D C -1.933 174.411 176.300 0.073 0.000 1.250 257 D CA -1.093 53.025 54.000 0.195 0.000 0.911 257 D CB -0.054 40.949 40.800 0.338 0.000 1.163 257 D HN 0.121 nan 8.370 nan 0.000 0.456 258 P HA -0.128 nan 4.420 nan 0.000 0.220 258 P C 0.742 178.010 177.300 -0.053 0.000 1.148 258 P CA 1.217 64.264 63.100 -0.088 0.000 0.803 258 P CB -0.138 31.432 31.700 -0.217 0.000 0.782 259 Y N -0.622 119.719 120.300 0.068 0.000 2.133 259 Y HA -0.135 4.391 4.550 -0.041 0.000 0.287 259 Y C 2.378 178.358 175.900 0.133 0.000 1.134 259 Y CA 1.111 59.272 58.100 0.102 0.000 1.133 259 Y CB -1.323 37.185 38.460 0.080 0.000 0.987 259 Y HN -0.184 nan 8.280 nan 0.000 0.502 260 L N -0.495 120.888 121.223 0.266 0.000 2.083 260 L HA -0.229 4.091 4.340 -0.034 0.000 0.209 260 L C 2.415 179.364 176.870 0.132 0.000 1.083 260 L CA 1.696 56.637 54.840 0.169 0.000 0.752 260 L CB -0.899 41.230 42.059 0.118 0.000 0.899 260 L HN 0.288 nan 8.230 nan 0.000 0.433 261 S N -0.411 115.363 115.700 0.124 0.000 2.406 261 S HA -0.169 4.280 4.470 -0.034 0.000 0.228 261 S C 1.860 176.546 174.600 0.144 0.000 1.020 261 S CA 0.617 58.880 58.200 0.106 0.000 0.965 261 S CB -0.716 62.535 63.200 0.085 0.000 0.798 261 S HN 0.312 nan 8.310 nan 0.000 0.488 262 F N 3.274 123.237 119.950 0.022 0.000 2.102 262 F HA 0.079 4.603 4.527 -0.005 0.000 0.298 262 F C 2.554 178.377 175.800 0.037 0.000 1.105 262 F CA 0.565 58.577 58.000 0.021 0.000 1.239 262 F CB -1.071 37.918 39.000 -0.018 0.000 0.991 262 F HN 0.246 nan 8.300 nan 0.000 0.474 263 A N 0.558 123.410 122.820 0.053 0.000 1.873 263 A HA -0.160 4.140 4.320 -0.034 0.000 0.218 263 A C 2.465 179.988 177.584 -0.100 0.000 1.193 263 A CA 2.338 54.352 52.037 -0.038 0.000 0.629 263 A CB -1.687 17.363 19.000 0.083 0.000 0.826 263 A HN 0.514 nan 8.150 nan 0.000 0.447 264 A N -0.305 122.489 122.820 -0.043 0.000 1.940 264 A HA 0.097 4.396 4.320 -0.034 0.000 0.219 264 A C 2.497 180.022 177.584 -0.098 0.000 1.176 264 A CA 2.287 54.293 52.037 -0.051 0.000 0.631 264 A CB -1.047 17.942 19.000 -0.017 0.000 0.814 264 A HN 1.186 nan 8.150 nan 0.000 0.446 265 A N -0.602 122.132 122.820 -0.144 0.000 1.908 265 A HA -0.187 4.113 4.320 -0.034 0.000 0.218 265 A C 2.177 179.605 177.584 -0.260 0.000 1.181 265 A CA 2.110 54.040 52.037 -0.177 0.000 0.627 265 A CB -0.509 18.367 19.000 -0.207 0.000 0.818 265 A HN 0.457 nan 8.150 nan 0.000 0.445 266 M N 0.032 119.392 119.600 -0.401 0.000 2.117 266 M HA -0.153 4.307 4.480 -0.034 0.000 0.262 266 M C 1.695 177.884 176.300 -0.186 0.000 1.065 266 M CA 1.342 56.442 55.300 -0.334 0.000 1.114 266 M CB -1.908 30.484 32.600 -0.347 0.000 1.361 266 M HN 0.543 nan 8.290 nan 0.000 0.408 267 N N -0.037 118.582 118.700 -0.135 0.000 2.289 267 N HA -0.102 4.618 4.740 -0.034 0.000 0.184 267 N C 1.796 177.260 175.510 -0.077 0.000 1.016 267 N CA 0.941 53.937 53.050 -0.091 0.000 0.872 267 N CB -0.140 38.309 38.487 -0.063 0.000 0.973 267 N HN 0.457 nan 8.380 nan 0.000 0.433 268 G N 1.071 109.830 108.800 -0.068 0.000 2.396 268 G HA2 -0.141 3.798 3.960 -0.034 0.000 0.214 268 G HA3 -0.141 3.798 3.960 -0.034 0.000 0.214 268 G C 1.424 176.345 174.900 0.035 0.000 1.166 268 G CA 0.022 45.116 45.100 -0.009 0.000 0.793 268 G HN 0.112 nan 8.290 nan 0.000 0.533 269 L N 1.441 122.605 121.223 -0.098 0.000 2.191 269 L HA 0.192 4.511 4.340 -0.034 0.000 0.212 269 L C 2.850 179.572 176.870 -0.247 0.000 1.103 269 L CA 1.597 56.232 54.840 -0.342 0.000 0.769 269 L CB -0.351 41.420 42.059 -0.481 0.000 0.908 269 L HN 0.220 nan 8.230 nan 0.000 0.438 270 A N -0.804 121.925 122.820 -0.153 0.000 2.239 270 A HA 0.249 4.548 4.320 -0.034 0.000 0.209 270 A C 1.386 178.912 177.584 -0.096 0.000 1.171 270 A CA 0.549 52.507 52.037 -0.131 0.000 0.768 270 A CB -1.294 17.620 19.000 -0.144 0.000 0.790 270 A HN 0.415 nan 8.150 nan 0.000 0.478 271 G N -0.372 108.400 108.800 -0.046 0.000 2.432 271 G HA2 0.411 4.350 3.960 -0.034 0.000 0.257 271 G HA3 0.411 4.350 3.960 -0.034 0.000 0.257 271 G C -1.436 173.471 174.900 0.011 0.000 1.238 271 G CA -0.971 44.120 45.100 -0.014 0.000 0.838 271 G HN 0.068 nan 8.290 nan 0.000 0.547 272 P HA -0.109 nan 4.420 nan 0.000 0.217 272 P C 1.841 179.168 177.300 0.046 0.000 1.148 272 P CA 0.811 63.927 63.100 0.027 0.000 0.828 272 P CB 0.190 31.901 31.700 0.019 0.000 0.783 273 L N -3.215 118.033 121.223 0.042 0.000 2.552 273 L HA -0.052 4.268 4.340 -0.034 0.000 0.227 273 L C 1.978 178.909 176.870 0.101 0.000 1.146 273 L CA 0.613 55.479 54.840 0.044 0.000 0.858 273 L CB -0.636 41.429 42.059 0.010 0.000 0.969 273 L HN 0.179 nan 8.230 nan 0.000 0.451 274 H N -0.485 118.574 119.070 -0.018 0.000 3.980 274 H HA 0.271 4.798 4.556 -0.049 0.000 0.225 274 H C 1.584 176.921 175.328 0.015 0.000 1.531 274 H CA 0.407 56.439 56.048 -0.026 0.000 1.357 274 H CB -0.230 29.483 29.762 -0.081 0.000 0.873 274 H HN -0.145 nan 8.280 nan 0.000 0.645 275 G N 0.511 109.112 108.800 -0.332 0.000 2.432 275 G HA2 -0.203 3.737 3.960 -0.034 0.000 0.219 275 G HA3 -0.203 3.737 3.960 -0.034 0.000 0.219 275 G C 1.534 176.472 174.900 0.064 0.000 1.135 275 G CA 0.874 45.825 45.100 -0.248 0.000 0.767 275 G HN 0.385 nan 8.290 nan 0.000 0.550 276 L N 1.219 122.454 121.223 0.019 0.000 2.349 276 L HA 0.075 4.394 4.340 -0.034 0.000 0.220 276 L C 3.021 179.972 176.870 0.135 0.000 1.130 276 L CA 1.413 56.299 54.840 0.076 0.000 0.791 276 L CB -0.346 41.720 42.059 0.011 0.000 0.918 276 L HN 0.255 nan 8.230 nan 0.000 0.444 277 A N -0.529 122.376 122.820 0.142 0.000 1.958 277 A HA -0.332 3.968 4.320 -0.034 0.000 0.221 277 A C 2.118 179.824 177.584 0.202 0.000 1.178 277 A CA 1.999 54.128 52.037 0.153 0.000 0.642 277 A CB -0.790 18.298 19.000 0.146 0.000 0.816 277 A HN 0.580 nan 8.150 nan 0.000 0.453 278 N N -0.461 118.399 118.700 0.266 0.000 2.106 278 N HA -0.269 4.451 4.740 -0.034 0.000 0.200 278 N C 1.906 177.636 175.510 0.366 0.000 1.014 278 N CA 2.200 55.450 53.050 0.334 0.000 0.891 278 N CB -0.413 38.315 38.487 0.401 0.000 1.069 278 N HN 0.813 nan 8.380 nan 0.000 0.490 279 Q N -0.013 119.964 119.800 0.294 0.000 2.163 279 Q HA -0.040 4.279 4.340 -0.034 0.000 0.198 279 Q C 1.187 177.304 176.000 0.195 0.000 0.954 279 Q CA 0.673 56.611 55.803 0.225 0.000 0.851 279 Q CB 0.125 28.964 28.738 0.168 0.000 0.928 279 Q HN 0.246 nan 8.270 nan 0.000 0.459 280 E N 0.467 120.776 120.200 0.182 0.000 2.077 280 E HA -0.137 4.192 4.350 -0.034 0.000 0.193 280 E C 2.212 178.947 176.600 0.225 0.000 0.989 280 E CA 1.015 57.518 56.400 0.171 0.000 0.800 280 E CB -0.287 29.483 29.700 0.117 0.000 0.746 280 E HN 0.211 nan 8.360 nan 0.000 0.452 281 V N 1.384 121.432 119.914 0.222 0.000 2.233 281 V HA -0.274 3.825 4.120 -0.034 0.000 0.247 281 V C 2.563 178.864 176.094 0.345 0.000 1.050 281 V CA 1.637 64.102 62.300 0.275 0.000 1.010 281 V CB -0.563 31.400 31.823 0.233 0.000 0.637 281 V HN 0.148 nan 8.190 nan 0.000 0.444 282 L N 0.714 122.119 121.223 0.304 0.000 1.990 282 L HA -0.155 4.165 4.340 -0.034 0.000 0.213 282 L C 2.513 179.519 176.870 0.227 0.000 1.072 282 L CA 2.473 57.476 54.840 0.272 0.000 0.755 282 L CB -1.327 40.904 42.059 0.286 0.000 0.889 282 L HN 0.389 nan 8.230 nan 0.000 0.432 283 G N -2.049 106.878 108.800 0.212 0.000 2.442 283 G HA2 -0.368 3.571 3.960 -0.034 0.000 0.219 283 G HA3 -0.368 3.571 3.960 -0.034 0.000 0.219 283 G C 1.411 176.462 174.900 0.252 0.000 1.141 283 G CA 0.793 46.006 45.100 0.189 0.000 0.763 283 G HN 0.591 nan 8.290 nan 0.000 0.554 284 W N 0.797 122.168 121.300 0.119 0.000 2.476 284 W HA 0.198 4.839 4.660 -0.032 0.000 0.281 284 W C 2.205 178.789 176.519 0.108 0.000 1.230 284 W CA 0.530 57.962 57.345 0.146 0.000 1.287 284 W CB -0.033 29.524 29.460 0.161 0.000 1.108 284 W HN 0.107 nan 8.180 nan 0.000 0.567 285 L N 0.429 121.800 121.223 0.246 0.000 2.056 285 L HA -0.135 4.185 4.340 -0.034 0.000 0.207 285 L C 2.749 179.577 176.870 -0.071 0.000 1.078 285 L CA 1.300 56.148 54.840 0.013 0.000 0.749 285 L CB -1.322 40.818 42.059 0.135 0.000 0.901 285 L HN 0.046 nan 8.230 nan 0.000 0.433 286 A N -0.536 122.300 122.820 0.027 0.000 1.908 286 A HA -0.284 4.016 4.320 -0.034 0.000 0.218 286 A C 2.208 179.773 177.584 -0.032 0.000 1.181 286 A CA 1.728 53.771 52.037 0.010 0.000 0.627 286 A CB -0.490 18.538 19.000 0.047 0.000 0.818 286 A HN 0.334 nan 8.150 nan 0.000 0.445 287 Q N -0.942 118.843 119.800 -0.025 0.000 2.061 287 Q HA -0.144 4.176 4.340 -0.034 0.000 0.204 287 Q C 2.001 177.925 176.000 -0.128 0.000 0.984 287 Q CA 1.513 57.305 55.803 -0.017 0.000 0.846 287 Q CB -0.582 28.186 28.738 0.051 0.000 0.902 287 Q HN 0.561 nan 8.270 nan 0.000 0.421 288 L N 0.508 121.480 121.223 -0.419 0.000 1.971 288 L HA -0.272 4.048 4.340 -0.034 0.000 0.215 288 L C 2.112 178.701 176.870 -0.468 0.000 1.072 288 L CA 2.164 56.457 54.840 -0.912 0.000 0.758 288 L CB -1.025 40.363 42.059 -1.118 0.000 0.889 288 L HN 0.285 nan 8.230 nan 0.000 0.433 289 Q N -0.809 118.817 119.800 -0.291 0.000 2.234 289 Q HA -0.254 4.066 4.340 -0.034 0.000 0.206 289 Q C 2.269 178.206 176.000 -0.106 0.000 0.980 289 Q CA 1.984 57.688 55.803 -0.165 0.000 0.869 289 Q CB -0.101 28.579 28.738 -0.095 0.000 0.912 289 Q HN 0.552 nan 8.270 nan 0.000 0.436 290 K N -0.983 119.367 120.400 -0.085 0.000 2.116 290 K HA 0.098 4.397 4.320 -0.034 0.000 0.203 290 K C 0.411 176.999 176.600 -0.020 0.000 1.052 290 K CA 0.679 56.944 56.287 -0.036 0.000 0.952 290 K CB 0.072 32.563 32.500 -0.014 0.000 0.729 290 K HN 0.204 nan 8.250 nan 0.000 0.446 296 G N 0.403 109.179 108.800 -0.039 0.000 2.509 296 G HA2 0.823 4.762 3.960 -0.034 0.000 0.328 296 G HA3 0.823 4.762 3.960 -0.034 0.000 0.328 296 G C 0.288 175.176 174.900 -0.020 0.000 1.194 296 G CA 0.027 45.107 45.100 -0.033 0.000 0.967 296 G HN 1.751 nan 8.290 nan 0.000 0.488 297 A N -0.013 122.802 122.820 -0.008 0.000 2.351 297 A HA 0.405 4.704 4.320 -0.034 0.000 0.257 297 A C 1.106 178.695 177.584 0.008 0.000 1.087 297 A CA -0.111 51.927 52.037 0.002 0.000 0.798 297 A CB 0.278 19.284 19.000 0.010 0.000 1.033 297 A HN 0.560 nan 8.150 nan 0.000 0.488 298 D N 1.562 121.969 120.400 0.012 0.000 2.158 298 D HA -0.147 4.472 4.640 -0.034 0.000 0.197 298 D C 2.126 178.449 176.300 0.038 0.000 0.995 298 D CA 2.088 56.101 54.000 0.021 0.000 0.846 298 D CB -0.287 40.525 40.800 0.020 0.000 0.941 298 D HN 0.646 nan 8.370 nan 0.000 0.456 299 A N 0.114 122.957 122.820 0.038 0.000 1.933 299 A HA -0.133 4.166 4.320 -0.034 0.000 0.218 299 A C 2.399 180.024 177.584 0.069 0.000 1.175 299 A CA 1.668 53.737 52.037 0.055 0.000 0.628 299 A CB -0.491 18.534 19.000 0.043 0.000 0.814 299 A HN 0.153 nan 8.150 nan 0.000 0.444 300 S N -0.797 114.934 115.700 0.052 0.000 2.406 300 S HA -0.029 4.420 4.470 -0.034 0.000 0.228 300 S C 1.737 176.389 174.600 0.085 0.000 1.020 300 S CA 0.947 59.185 58.200 0.063 0.000 0.965 300 S CB -0.267 62.954 63.200 0.034 0.000 0.798 300 S HN 0.384 nan 8.310 nan 0.000 0.488 301 L N 1.821 123.077 121.223 0.054 0.000 2.093 301 L HA 0.056 4.376 4.340 -0.034 0.000 0.208 301 L C 2.360 179.300 176.870 0.117 0.000 1.085 301 L CA 1.578 56.446 54.840 0.046 0.000 0.755 301 L CB -0.527 41.542 42.059 0.017 0.000 0.904 301 L HN 0.207 nan 8.230 nan 0.000 0.435 302 R N -0.862 119.708 120.500 0.117 0.000 2.090 302 R HA -0.129 4.190 4.340 -0.034 0.000 0.228 302 R C 1.790 178.244 176.300 0.256 0.000 1.110 302 R CA 1.349 57.541 56.100 0.154 0.000 0.973 302 R CB -0.172 30.218 30.300 0.150 0.000 0.869 302 R HN 0.275 nan 8.270 nan 0.000 0.440 303 D N -0.105 120.434 120.400 0.232 0.000 2.123 303 D HA -0.205 4.415 4.640 -0.034 0.000 0.196 303 D C 1.530 177.974 176.300 0.239 0.000 0.992 303 D CA 1.206 55.349 54.000 0.239 0.000 0.833 303 D CB -0.394 40.500 40.800 0.158 0.000 0.954 303 D HN 0.259 nan 8.370 nan 0.000 0.455 304 Y N 1.275 121.625 120.300 0.083 0.000 2.097 304 Y HA -0.207 4.322 4.550 -0.035 0.000 0.282 304 Y C 2.336 178.301 175.900 0.109 0.000 1.152 304 Y CA 1.432 59.559 58.100 0.044 0.000 1.136 304 Y CB -0.305 38.120 38.460 -0.058 0.000 0.975 304 Y HN -0.072 nan 8.280 nan 0.000 0.498 305 I N -1.527 119.245 120.570 0.337 0.000 2.208 305 I HA -0.389 3.761 4.170 -0.034 0.000 0.245 305 I C 2.041 178.141 176.117 -0.029 0.000 1.097 305 I CA 1.785 63.199 61.300 0.190 0.000 1.363 305 I CB -0.604 37.406 38.000 0.017 0.000 1.051 305 I HN 0.355 nan 8.210 nan 0.000 0.413 306 W N 1.162 122.507 121.300 0.075 0.000 2.381 306 W HA -0.190 4.450 4.660 -0.033 0.000 0.301 306 W C 2.651 179.169 176.519 -0.002 0.000 1.205 306 W CA 1.278 58.638 57.345 0.025 0.000 1.285 306 W CB -0.403 29.064 29.460 0.012 0.000 1.133 306 W HN 0.213 nan 8.180 nan 0.000 0.521 307 N N -0.355 118.457 118.700 0.186 0.000 2.244 307 N HA -0.148 4.572 4.740 -0.034 0.000 0.183 307 N C 1.308 176.831 175.510 0.021 0.000 1.016 307 N CA 1.997 55.082 53.050 0.059 0.000 0.866 307 N CB -0.306 38.138 38.487 -0.071 0.000 0.980 307 N HN 0.056 nan 8.380 nan 0.000 0.430 308 T N 2.107 116.673 114.554 0.020 0.000 2.643 308 T HA -0.038 4.292 4.350 -0.034 0.000 0.264 308 T C 2.131 176.862 174.700 0.053 0.000 1.045 308 T CA 1.179 63.321 62.100 0.070 0.000 1.155 308 T CB -0.315 68.677 68.868 0.206 0.000 0.863 308 T HN 0.156 nan 8.240 nan 0.000 0.420 309 L N 1.085 122.327 121.223 0.030 0.000 2.013 309 L HA -0.185 4.135 4.340 -0.034 0.000 0.212 309 L C 2.344 179.281 176.870 0.111 0.000 1.073 309 L CA 1.621 56.480 54.840 0.031 0.000 0.753 309 L CB -0.788 41.231 42.059 -0.066 0.000 0.890 309 L HN 0.348 nan 8.230 nan 0.000 0.432 310 N N -1.067 117.737 118.700 0.174 0.000 2.453 310 N HA -0.116 4.604 4.740 -0.034 0.000 0.183 310 N C 1.466 177.022 175.510 0.077 0.000 1.041 310 N CA 0.703 53.841 53.050 0.145 0.000 0.900 310 N CB 0.064 38.641 38.487 0.149 0.000 0.961 310 N HN 0.157 nan 8.380 nan 0.000 0.443 311 S N -0.566 115.170 115.700 0.061 0.000 2.575 311 S HA 0.163 4.612 4.470 -0.034 0.000 0.215 311 S C 1.046 175.666 174.600 0.035 0.000 0.966 311 S CA 0.290 58.514 58.200 0.039 0.000 0.911 311 S CB 0.474 63.691 63.200 0.030 0.000 0.780 311 S HN 0.561 nan 8.310 nan 0.000 0.514 312 G N 1.898 110.721 108.800 0.038 0.000 2.198 312 G HA2 -0.246 3.693 3.960 -0.034 0.000 0.257 312 G HA3 -0.246 3.693 3.960 -0.034 0.000 0.257 312 G C -0.043 174.871 174.900 0.022 0.000 1.042 312 G CA -0.033 45.084 45.100 0.028 0.000 0.791 312 G HN 0.404 nan 8.290 nan 0.000 0.502 313 R N -1.441 119.072 120.500 0.022 0.000 2.902 313 R HA 0.797 5.116 4.340 -0.034 0.000 0.258 313 R C 0.595 176.889 176.300 -0.011 0.000 1.071 313 R CA -0.155 55.955 56.100 0.016 0.000 1.024 313 R CB 1.664 31.987 30.300 0.039 0.000 1.184 313 R HN 0.663 nan 8.270 nan 0.000 0.492 314 V N -1.370 118.526 119.914 -0.030 0.000 2.713 314 V HA 0.571 4.670 4.120 -0.034 0.000 0.307 314 V C -0.244 175.761 176.094 -0.149 0.000 1.052 314 V CA -0.943 61.315 62.300 -0.070 0.000 0.967 314 V CB 1.825 33.616 31.823 -0.054 0.000 1.019 314 V HN 0.357 nan 8.190 nan 0.000 0.459 315 V N 5.024 124.814 119.914 -0.206 0.000 2.389 315 V HA 0.310 4.409 4.120 -0.034 0.000 0.264 315 V C -1.843 174.077 176.094 -0.289 0.000 1.049 315 V CA -1.085 60.972 62.300 -0.405 0.000 0.932 315 V CB 0.546 32.136 31.823 -0.389 0.000 1.011 315 V HN 0.906 nan 8.190 nan 0.000 0.475 316 P HA 0.299 nan 4.420 nan 0.000 0.271 316 P C 0.909 178.184 177.300 -0.042 0.000 1.218 316 P CA 0.676 63.690 63.100 -0.144 0.000 0.780 316 P CB 1.070 32.703 31.700 -0.112 0.000 0.901 317 G N 0.185 108.986 108.800 0.001 0.000 2.176 317 G HA2 -0.228 3.711 3.960 -0.034 0.000 0.253 317 G HA3 -0.228 3.711 3.960 -0.034 0.000 0.253 317 G C -0.471 174.234 174.900 -0.326 0.000 0.979 317 G CA -0.165 44.894 45.100 -0.067 0.000 0.641 317 G HN 0.490 nan 8.290 nan 0.000 0.530 318 Y N 0.118 120.398 120.300 -0.034 0.000 2.499 318 Y HA 0.577 5.107 4.550 -0.034 0.000 0.347 318 Y C 0.789 176.688 175.900 -0.001 0.000 0.987 318 Y CA 0.221 58.303 58.100 -0.030 0.000 1.044 318 Y CB 2.290 40.691 38.460 -0.098 0.000 1.245 318 Y HN 1.323 nan 8.280 nan 0.000 0.461 319 G N 2.138 111.031 108.800 0.155 0.000 2.690 319 G HA2 0.090 4.029 3.960 -0.034 0.000 0.686 319 G HA3 0.090 4.029 3.960 -0.034 0.000 0.686 319 G C -1.734 173.278 174.900 0.185 0.000 1.277 319 G CA -0.691 44.492 45.100 0.138 0.000 0.799 319 G HN 0.986 nan 8.290 nan 0.000 0.613 320 H N -0.090 119.017 119.070 0.062 0.000 3.094 320 H HA 0.546 5.082 4.556 -0.033 0.000 0.335 320 H C 0.886 176.245 175.328 0.051 0.000 1.254 320 H CA 0.317 56.403 56.048 0.063 0.000 1.240 320 H CB 1.591 31.402 29.762 0.081 0.000 1.936 320 H HN 1.252 nan 8.280 nan 0.000 0.536 321 A N 2.953 125.539 122.820 -0.390 0.000 2.014 321 A HA 0.036 4.336 4.320 -0.034 0.000 0.218 321 A C 1.232 178.841 177.584 0.041 0.000 1.163 321 A CA 1.939 53.898 52.037 -0.131 0.000 0.652 321 A CB 0.064 18.961 19.000 -0.172 0.000 0.808 321 A HN 0.287 nan 8.150 nan 0.000 0.449 322 V N -1.292 118.779 119.914 0.262 0.000 3.137 322 V HA 0.219 4.318 4.120 -0.034 0.000 0.236 322 V C 0.885 177.108 176.094 0.214 0.000 1.260 322 V CA -0.186 62.243 62.300 0.215 0.000 1.244 322 V CB -0.371 31.546 31.823 0.157 0.000 1.016 322 V HN 0.371 nan 8.190 nan 0.000 0.477 323 L N 1.128 122.536 121.223 0.309 0.000 2.461 323 L HA 0.204 4.523 4.340 -0.034 0.000 0.272 323 L C 1.266 178.209 176.870 0.121 0.000 1.197 323 L CA 0.352 55.221 54.840 0.049 0.000 0.836 323 L CB 0.323 42.282 42.059 -0.166 0.000 1.105 323 L HN 0.155 nan 8.230 nan 0.000 0.477 324 R N 1.760 122.307 120.500 0.078 0.000 2.572 324 R HA 0.315 4.634 4.340 -0.034 0.000 0.370 324 R C -0.702 175.681 176.300 0.139 0.000 1.005 324 R CA -0.073 56.109 56.100 0.137 0.000 1.146 324 R CB 0.485 30.842 30.300 0.095 0.000 1.390 324 R HN 0.497 nan 8.270 nan 0.000 0.553 325 K N -0.068 120.340 120.400 0.013 0.000 2.499 325 K HA 0.354 4.653 4.320 -0.034 0.000 0.277 325 K C -0.482 175.981 176.600 -0.230 0.000 1.025 325 K CA -0.729 55.408 56.287 -0.251 0.000 0.900 325 K CB 1.061 33.419 32.500 -0.238 0.000 1.494 325 K HN -0.264 nan 8.250 nan 0.000 0.442 326 T N 1.859 116.167 114.554 -0.411 0.000 2.908 326 T HA -0.051 4.279 4.350 -0.034 0.000 0.301 326 T C 0.042 174.662 174.700 -0.133 0.000 1.019 326 T CA 0.282 62.262 62.100 -0.200 0.000 1.152 326 T CB 0.065 68.815 68.868 -0.196 0.000 0.966 326 T HN 0.292 nan 8.240 nan 0.000 0.540 327 D N 4.155 124.493 120.400 -0.102 0.000 2.450 327 D HA 0.050 4.669 4.640 -0.034 0.000 0.247 327 D C -1.043 175.235 176.300 -0.036 0.000 1.162 327 D CA -2.043 51.906 54.000 -0.086 0.000 0.879 327 D CB 1.176 41.923 40.800 -0.089 0.000 1.163 327 D HN 0.187 nan 8.370 nan 0.000 0.472 328 P HA -0.116 nan 4.420 nan 0.000 0.221 328 P C 1.134 178.397 177.300 -0.061 0.000 1.145 328 P CA 0.828 63.901 63.100 -0.045 0.000 0.795 328 P CB 0.388 32.058 31.700 -0.050 0.000 0.775 329 R N -1.663 118.782 120.500 -0.092 0.000 2.115 329 R HA -0.119 4.200 4.340 -0.034 0.000 0.226 329 R C 2.485 178.678 176.300 -0.178 0.000 1.100 329 R CA 0.935 56.935 56.100 -0.167 0.000 0.980 329 R CB -0.808 29.331 30.300 -0.268 0.000 0.875 329 R HN 0.191 nan 8.270 nan 0.000 0.445 330 Y N 1.184 121.360 120.300 -0.207 0.000 2.114 330 Y HA -0.237 4.292 4.550 -0.036 0.000 0.284 330 Y C 2.202 177.974 175.900 -0.214 0.000 1.143 330 Y CA 2.055 60.045 58.100 -0.183 0.000 1.135 330 Y CB -0.364 37.991 38.460 -0.175 0.000 0.980 330 Y HN -0.064 nan 8.280 nan 0.000 0.499 331 T N -0.314 114.227 114.554 -0.021 0.000 2.635 331 T HA -0.346 3.984 4.350 -0.034 0.000 0.267 331 T C 2.066 176.663 174.700 -0.172 0.000 1.040 331 T CA 1.582 63.642 62.100 -0.067 0.000 1.156 331 T CB -1.296 67.576 68.868 0.005 0.000 0.863 331 T HN 0.664 nan 8.240 nan 0.000 0.430 332 C N 1.384 120.593 119.300 -0.152 0.000 2.391 332 C HA -0.182 4.257 4.460 -0.034 0.000 0.276 332 C C 2.792 177.658 174.990 -0.206 0.000 1.217 332 C CA 1.370 60.305 59.018 -0.139 0.000 1.766 332 C CB -1.289 26.374 27.740 -0.129 0.000 2.046 332 C HN 0.570 nan 8.230 nan 0.000 0.475 333 Q N -0.713 118.857 119.800 -0.384 0.000 2.187 333 Q HA -0.135 4.184 4.340 -0.034 0.000 0.199 333 Q C 2.448 178.000 176.000 -0.747 0.000 0.957 333 Q CA 1.290 56.767 55.803 -0.545 0.000 0.857 333 Q CB -0.239 28.094 28.738 -0.675 0.000 0.929 333 Q HN 0.724 nan 8.270 nan 0.000 0.453 334 R N 1.207 121.190 120.500 -0.862 0.000 2.075 334 R HA -0.168 4.152 4.340 -0.034 0.000 0.232 334 R C 2.064 178.234 176.300 -0.218 0.000 1.126 334 R CA 1.558 57.333 56.100 -0.540 0.000 0.963 334 R CB -0.068 30.077 30.300 -0.258 0.000 0.858 334 R HN 0.205 nan 8.270 nan 0.000 0.435 335 E N -0.441 119.667 120.200 -0.154 0.000 2.153 335 E HA -0.232 4.098 4.350 -0.034 0.000 0.194 335 E C 1.629 178.184 176.600 -0.075 0.000 0.988 335 E CA 1.130 57.483 56.400 -0.079 0.000 0.811 335 E CB -0.166 29.506 29.700 -0.046 0.000 0.746 335 E HN 0.437 nan 8.360 nan 0.000 0.466 336 F N 0.985 120.823 119.950 -0.187 0.000 2.186 336 F HA -0.050 4.458 4.527 -0.032 0.000 0.299 336 F C 2.094 177.830 175.800 -0.107 0.000 1.090 336 F CA 1.435 59.389 58.000 -0.077 0.000 1.307 336 F CB -0.316 38.632 39.000 -0.086 0.000 1.019 336 F HN 0.082 nan 8.300 nan 0.000 0.489 337 A N 0.719 123.457 122.820 -0.137 0.000 1.873 337 A HA -0.114 4.185 4.320 -0.034 0.000 0.215 337 A C 2.241 179.500 177.584 -0.541 0.000 1.186 337 A CA 1.655 53.377 52.037 -0.525 0.000 0.616 337 A CB -1.231 16.990 19.000 -1.298 0.000 0.823 337 A HN 0.453 nan 8.150 nan 0.000 0.442 338 L N -0.619 120.387 121.223 -0.362 0.000 2.129 338 L HA -0.242 4.077 4.340 -0.034 0.000 0.212 338 L C 2.376 179.112 176.870 -0.223 0.000 1.087 338 L CA 1.390 56.153 54.840 -0.129 0.000 0.757 338 L CB -0.463 41.593 42.059 -0.006 0.000 0.896 338 L HN 0.265 nan 8.230 nan 0.000 0.434 339 K N -1.178 118.986 120.400 -0.393 0.000 2.076 339 K HA -0.013 4.287 4.320 -0.034 0.000 0.204 339 K C 1.888 178.063 176.600 -0.710 0.000 1.051 339 K CA 1.308 57.228 56.287 -0.611 0.000 0.949 339 K CB -0.363 31.540 32.500 -0.995 0.000 0.726 339 K HN 0.446 nan 8.250 nan 0.000 0.443 340 H N -0.525 118.306 119.070 -0.398 0.000 2.788 340 H HA 0.234 4.769 4.556 -0.034 0.000 0.262 340 H C 0.745 175.874 175.328 -0.331 0.000 0.968 340 H CA 0.402 56.243 56.048 -0.345 0.000 1.218 340 H CB 0.665 30.142 29.762 -0.475 0.000 1.443 340 H HN 0.033 nan 8.280 nan 0.000 0.478 341 L N -1.170 119.847 121.223 -0.344 0.000 2.980 341 L HA 0.423 4.742 4.340 -0.034 0.000 0.314 341 L C -2.455 174.282 176.870 -0.223 0.000 1.303 341 L CA -1.375 53.151 54.840 -0.523 0.000 0.785 341 L CB 1.308 42.543 42.059 -1.373 0.000 1.190 341 L HN -0.243 nan 8.230 nan 0.000 0.567 342 P HA 0.009 nan 4.420 nan 0.000 0.223 342 P C 1.402 178.859 177.300 0.262 0.000 1.151 342 P CA 1.323 64.521 63.100 0.164 0.000 0.787 342 P CB 0.271 32.028 31.700 0.094 0.000 0.788 343 G N -0.733 108.155 108.800 0.148 0.000 3.088 343 G HA2 -0.037 3.902 3.960 -0.034 0.000 0.217 343 G HA3 -0.037 3.902 3.960 -0.034 0.000 0.217 343 G C -0.087 174.904 174.900 0.152 0.000 1.159 343 G CA -0.109 45.070 45.100 0.132 0.000 0.760 343 G HN 0.239 nan 8.290 nan 0.000 0.550 344 D N 1.119 121.639 120.400 0.199 0.000 2.434 344 D HA 0.122 4.741 4.640 -0.034 0.000 0.252 344 D C -0.465 175.947 176.300 0.186 0.000 1.185 344 D CA -1.344 52.785 54.000 0.216 0.000 0.886 344 D CB 1.697 42.635 40.800 0.229 0.000 1.148 344 D HN 0.021 nan 8.370 nan 0.000 0.483 345 P HA -0.205 nan 4.420 nan 0.000 0.216 345 P C 1.423 178.768 177.300 0.076 0.000 1.150 345 P CA 1.020 64.166 63.100 0.076 0.000 0.837 345 P CB 0.104 31.838 31.700 0.057 0.000 0.786 346 M N -1.561 118.112 119.600 0.121 0.000 2.132 346 M HA -0.082 4.378 4.480 -0.034 0.000 0.263 346 M C 2.135 178.526 176.300 0.153 0.000 1.065 346 M CA 1.657 57.031 55.300 0.123 0.000 1.122 346 M CB -0.775 31.914 32.600 0.149 0.000 1.365 346 M HN -0.210 nan 8.290 nan 0.000 0.411 347 F N 0.551 120.525 119.950 0.040 0.000 2.095 347 F HA -0.306 4.200 4.527 -0.035 0.000 0.298 347 F C 1.946 177.770 175.800 0.040 0.000 1.104 347 F CA 1.631 59.648 58.000 0.028 0.000 1.232 347 F CB -0.093 38.924 39.000 0.029 0.000 0.987 347 F HN 0.013 nan 8.300 nan 0.000 0.475 348 K N 0.096 120.343 120.400 -0.256 0.000 2.097 348 K HA -0.204 4.096 4.320 -0.034 0.000 0.206 348 K C 1.848 178.342 176.600 -0.176 0.000 1.049 348 K CA 1.530 57.627 56.287 -0.316 0.000 0.933 348 K CB -0.475 31.939 32.500 -0.144 0.000 0.717 348 K HN 0.291 nan 8.250 nan 0.000 0.442 349 L N 1.036 122.216 121.223 -0.073 0.000 2.046 349 L HA -0.153 4.166 4.340 -0.034 0.000 0.208 349 L C 1.938 178.817 176.870 0.014 0.000 1.077 349 L CA 1.536 56.361 54.840 -0.024 0.000 0.747 349 L CB -0.287 41.768 42.059 -0.007 0.000 0.896 349 L HN -0.109 nan 8.230 nan 0.000 0.432 350 V N 0.199 120.122 119.914 0.015 0.000 2.490 350 V HA -0.226 3.873 4.120 -0.034 0.000 0.250 350 V C 2.806 178.958 176.094 0.096 0.000 1.061 350 V CA 1.417 63.760 62.300 0.072 0.000 1.064 350 V CB -1.658 30.153 31.823 -0.020 0.000 0.670 350 V HN 0.598 nan 8.190 nan 0.000 0.461 351 A N -0.693 122.075 122.820 -0.087 0.000 1.930 351 A HA -0.251 4.048 4.320 -0.034 0.000 0.217 351 A C 2.279 179.933 177.584 0.116 0.000 1.175 351 A CA 1.766 53.800 52.037 -0.004 0.000 0.627 351 A CB -0.463 18.375 19.000 -0.270 0.000 0.815 351 A HN 0.550 nan 8.150 nan 0.000 0.443 352 Q N -1.001 118.823 119.800 0.039 0.000 2.167 352 Q HA -0.101 4.219 4.340 -0.034 0.000 0.202 352 Q C 1.680 177.743 176.000 0.105 0.000 0.970 352 Q CA 0.875 56.710 55.803 0.052 0.000 0.855 352 Q CB -0.081 28.660 28.738 0.004 0.000 0.911 352 Q HN 0.462 nan 8.270 nan 0.000 0.438 353 L N -0.083 121.237 121.223 0.161 0.000 2.109 353 L HA -0.154 4.166 4.340 -0.034 0.000 0.207 353 L C 1.981 178.999 176.870 0.247 0.000 1.086 353 L CA 1.582 56.537 54.840 0.192 0.000 0.760 353 L CB -1.332 40.892 42.059 0.275 0.000 0.910 353 L HN 0.362 nan 8.230 nan 0.000 0.437 354 Y N 0.496 120.919 120.300 0.204 0.000 2.333 354 Y HA -0.290 4.240 4.550 -0.034 0.000 0.290 354 Y C 2.276 178.265 175.900 0.148 0.000 1.144 354 Y CA 1.108 59.352 58.100 0.240 0.000 1.228 354 Y CB 0.253 38.892 38.460 0.298 0.000 0.985 354 Y HN 0.196 nan 8.280 nan 0.000 0.542 355 K N -0.331 120.132 120.400 0.106 0.000 2.217 355 K HA -0.068 4.231 4.320 -0.034 0.000 0.202 355 K C 1.423 178.002 176.600 -0.035 0.000 1.051 355 K CA 1.413 57.686 56.287 -0.024 0.000 0.952 355 K CB 0.136 32.633 32.500 -0.005 0.000 0.736 355 K HN 0.362 nan 8.250 nan 0.000 0.453 356 I N -0.526 120.035 120.570 -0.016 0.000 2.962 356 I HA -0.143 4.007 4.170 -0.034 0.000 0.246 356 I C 2.008 178.038 176.117 -0.145 0.000 1.091 356 I CA 0.188 61.455 61.300 -0.055 0.000 1.469 356 I CB -0.234 37.757 38.000 -0.014 0.000 1.324 356 I HN -0.235 nan 8.210 nan 0.000 0.461 357 V N 2.041 121.824 119.914 -0.218 0.000 2.242 357 V HA -0.290 3.810 4.120 -0.034 0.000 0.257 357 V C -0.362 175.453 176.094 -0.466 0.000 1.073 357 V CA 2.614 64.636 62.300 -0.464 0.000 1.058 357 V CB -2.260 28.991 31.823 -0.955 0.000 0.664 357 V HN 0.278 nan 8.190 nan 0.000 0.451 358 P HA -0.149 nan 4.420 nan 0.000 0.215 358 P C 1.319 178.383 177.300 -0.393 0.000 1.157 358 P CA 2.017 64.845 63.100 -0.453 0.000 0.874 358 P CB -0.288 31.096 31.700 -0.526 0.000 0.790 359 N N -0.891 117.645 118.700 -0.274 0.000 2.069 359 N HA -0.130 4.589 4.740 -0.034 0.000 0.191 359 N C 1.600 177.017 175.510 -0.155 0.000 1.031 359 N CA 1.101 54.044 53.050 -0.177 0.000 0.852 359 N CB -0.800 37.628 38.487 -0.099 0.000 1.018 359 N HN -0.079 nan 8.380 nan 0.000 0.423 360 V N 1.277 121.067 119.914 -0.207 0.000 2.358 360 V HA -0.165 3.934 4.120 -0.034 0.000 0.246 360 V C 2.061 177.958 176.094 -0.329 0.000 1.047 360 V CA 1.379 63.515 62.300 -0.273 0.000 1.035 360 V CB -0.558 30.997 31.823 -0.447 0.000 0.658 360 V HN 0.304 nan 8.190 nan 0.000 0.452 361 L N -0.979 120.041 121.223 -0.339 0.000 2.141 361 L HA -0.145 4.174 4.340 -0.034 0.000 0.209 361 L C 2.336 179.087 176.870 -0.199 0.000 1.094 361 L CA 1.207 55.874 54.840 -0.288 0.000 0.763 361 L CB -0.487 41.402 42.059 -0.283 0.000 0.908 361 L HN 0.286 nan 8.230 nan 0.000 0.437 362 L N -0.317 120.787 121.223 -0.199 0.000 2.109 362 L HA -0.178 4.141 4.340 -0.034 0.000 0.207 362 L C 2.699 179.541 176.870 -0.047 0.000 1.086 362 L CA 1.140 55.898 54.840 -0.135 0.000 0.760 362 L CB -0.299 41.665 42.059 -0.158 0.000 0.910 362 L HN 0.307 nan 8.230 nan 0.000 0.437 363 E N -0.040 120.153 120.200 -0.010 0.000 2.038 363 E HA -0.340 3.989 4.350 -0.034 0.000 0.195 363 E C 2.144 178.843 176.600 0.166 0.000 1.000 363 E CA 1.659 58.123 56.400 0.107 0.000 0.803 363 E CB -0.153 29.682 29.700 0.225 0.000 0.750 363 E HN 0.468 nan 8.360 nan 0.000 0.448 364 Q N -0.140 119.763 119.800 0.171 0.000 2.197 364 Q HA -0.155 4.165 4.340 -0.034 0.000 0.207 364 Q C 1.109 177.172 176.000 0.105 0.000 0.984 364 Q CA 1.530 57.469 55.803 0.227 0.000 0.869 364 Q CB -0.318 28.463 28.738 0.072 0.000 0.906 364 Q HN 0.561 nan 8.270 nan 0.000 0.426 365 G N -1.197 107.624 108.800 0.036 0.000 2.176 365 G HA2 -0.301 3.638 3.960 -0.034 0.000 0.252 365 G HA3 -0.301 3.638 3.960 -0.034 0.000 0.252 365 G C 0.406 175.310 174.900 0.007 0.000 1.024 365 G CA 0.696 45.805 45.100 0.016 0.000 0.755 365 G HN 0.614 nan 8.290 nan 0.000 0.507 366 A N -0.616 122.201 122.820 -0.005 0.000 1.993 366 A HA 0.817 5.117 4.320 -0.034 0.000 0.202 366 A C 1.702 179.277 177.584 -0.015 0.000 1.461 366 A CA 1.395 53.429 52.037 -0.006 0.000 0.824 366 A CB -0.285 18.716 19.000 0.001 0.000 1.024 366 A HN 2.089 nan 8.150 nan 0.000 0.507 367 A N 0.439 123.239 122.820 -0.033 0.000 2.522 367 A HA 0.487 4.786 4.320 -0.034 0.000 0.256 367 A C 1.328 178.901 177.584 -0.019 0.000 1.086 367 A CA 0.439 52.460 52.037 -0.028 0.000 0.763 367 A CB 0.005 18.975 19.000 -0.049 0.000 1.024 367 A HN 1.253 nan 8.150 nan 0.000 0.502 368 A N 2.797 125.621 122.820 0.007 0.000 2.067 368 A HA -0.022 4.277 4.320 -0.034 0.000 0.219 368 A C 1.041 178.657 177.584 0.053 0.000 1.158 368 A CA 1.602 53.655 52.037 0.026 0.000 0.661 368 A CB -0.327 18.693 19.000 0.032 0.000 0.801 368 A HN 0.913 nan 8.150 nan 0.000 0.452 369 N N -0.902 117.836 118.700 0.063 0.000 2.576 369 N HA 0.311 5.031 4.740 -0.034 0.000 0.269 369 N C -2.468 173.074 175.510 0.053 0.000 1.058 369 N CA -1.786 51.340 53.050 0.125 0.000 0.860 369 N CB 1.802 40.416 38.487 0.212 0.000 1.249 369 N HN -0.111 nan 8.380 nan 0.000 0.525 370 P HA 0.113 nan 4.420 nan 0.000 0.249 370 P C -0.549 176.611 177.300 -0.233 0.000 1.229 370 P CA 0.173 63.072 63.100 -0.335 0.000 0.788 370 P CB -0.031 31.291 31.700 -0.630 0.000 1.072 371 W N 2.426 123.827 121.300 0.167 0.000 2.253 371 W HA 0.390 5.028 4.660 -0.036 0.000 0.348 371 W C -1.892 174.630 176.519 0.005 0.000 1.229 371 W CA -2.527 54.921 57.345 0.171 0.000 1.335 371 W CB -0.380 29.126 29.460 0.077 0.000 1.165 371 W HN -0.190 nan 8.180 nan 0.000 0.631 372 P HA 0.137 nan 4.420 nan 0.000 0.279 372 P C -1.029 176.034 177.300 -0.395 0.000 1.252 372 P CA -0.396 62.200 63.100 -0.839 0.000 0.811 372 P CB 1.106 31.955 31.700 -1.419 0.000 1.035 373 N N -0.530 118.010 118.700 -0.265 0.000 2.471 373 N HA 0.174 4.893 4.740 -0.034 0.000 0.288 373 N C 1.007 176.511 175.510 -0.010 0.000 1.220 373 N CA -1.034 51.975 53.050 -0.068 0.000 0.893 373 N CB -0.007 38.525 38.487 0.075 0.000 1.256 373 N HN 0.038 nan 8.380 nan 0.000 0.534 374 V N -0.040 119.846 119.914 -0.046 0.000 2.357 374 V HA -0.328 3.772 4.120 -0.034 0.000 0.257 374 V C 0.753 176.836 176.094 -0.018 0.000 1.082 374 V CA 2.417 64.651 62.300 -0.110 0.000 1.078 374 V CB -0.713 30.894 31.823 -0.360 0.000 0.663 374 V HN 0.687 nan 8.190 nan 0.000 0.455 375 D N -0.127 120.298 120.400 0.041 0.000 2.312 375 D HA 0.019 4.639 4.640 -0.034 0.000 0.211 375 D C 2.085 178.456 176.300 0.118 0.000 0.964 375 D CA 1.236 55.300 54.000 0.107 0.000 0.877 375 D CB -0.228 40.673 40.800 0.168 0.000 0.924 375 D HN 0.606 nan 8.370 nan 0.000 0.515 376 A N -0.237 122.640 122.820 0.094 0.000 2.067 376 A HA -0.170 4.129 4.320 -0.034 0.000 0.219 376 A C 1.833 179.511 177.584 0.155 0.000 1.158 376 A CA 1.167 53.270 52.037 0.110 0.000 0.661 376 A CB -0.323 18.664 19.000 -0.021 0.000 0.801 376 A HN 0.230 nan 8.150 nan 0.000 0.452 377 H N -0.922 118.193 119.070 0.076 0.000 3.046 377 H HA 0.118 4.653 4.556 -0.035 0.000 0.262 377 H C 2.111 177.408 175.328 -0.052 0.000 1.044 377 H CA 1.044 57.060 56.048 -0.054 0.000 1.209 377 H CB 0.465 29.984 29.762 -0.406 0.000 1.507 377 H HN 0.602 nan 8.280 nan 0.000 0.507 378 S N -1.030 114.747 115.700 0.128 0.000 2.377 378 S HA -0.027 4.422 4.470 -0.034 0.000 0.223 378 S C 2.366 176.984 174.600 0.031 0.000 1.030 378 S CA 0.844 59.093 58.200 0.082 0.000 0.970 378 S CB -0.730 62.513 63.200 0.073 0.000 0.830 378 S HN 0.320 nan 8.310 nan 0.000 0.473 379 G N 1.576 110.392 108.800 0.026 0.000 2.442 379 G HA2 -0.128 3.811 3.960 -0.034 0.000 0.219 379 G HA3 -0.128 3.811 3.960 -0.034 0.000 0.219 379 G C 1.432 176.360 174.900 0.046 0.000 1.141 379 G CA 0.981 46.029 45.100 -0.087 0.000 0.763 379 G HN 0.448 nan 8.290 nan 0.000 0.554 380 V N 1.122 121.110 119.914 0.124 0.000 2.392 380 V HA -0.173 3.926 4.120 -0.034 0.000 0.249 380 V C 2.931 179.120 176.094 0.158 0.000 1.059 380 V CA 1.587 63.980 62.300 0.154 0.000 1.051 380 V CB -0.379 31.524 31.823 0.134 0.000 0.658 380 V HN 0.394 nan 8.190 nan 0.000 0.455 381 L N -0.883 120.420 121.223 0.133 0.000 2.012 381 L HA -0.205 4.115 4.340 -0.034 0.000 0.210 381 L C 2.421 179.439 176.870 0.246 0.000 1.073 381 L CA 1.629 56.560 54.840 0.152 0.000 0.748 381 L CB -0.771 41.311 42.059 0.039 0.000 0.891 381 L HN 0.294 nan 8.230 nan 0.000 0.431 382 L N -0.577 120.699 121.223 0.087 0.000 1.994 382 L HA -0.227 4.093 4.340 -0.034 0.000 0.208 382 L C 2.854 179.852 176.870 0.213 0.000 1.071 382 L CA 1.258 56.149 54.840 0.085 0.000 0.745 382 L CB -0.874 40.997 42.059 -0.313 0.000 0.892 382 L HN 0.376 nan 8.230 nan 0.000 0.431 383 Q N 0.213 120.138 119.800 0.208 0.000 2.096 383 Q HA -0.321 3.999 4.340 -0.034 0.000 0.208 383 Q C 2.256 178.352 176.000 0.160 0.000 0.993 383 Q CA 2.435 58.366 55.803 0.214 0.000 0.862 383 Q CB -0.628 28.248 28.738 0.231 0.000 0.915 383 Q HN 0.577 nan 8.270 nan 0.000 0.416 384 Y N 0.172 120.481 120.300 0.014 0.000 2.165 384 Y HA -0.260 4.269 4.550 -0.035 0.000 0.286 384 Y C 1.522 177.255 175.900 -0.277 0.000 1.155 384 Y CA 2.006 60.016 58.100 -0.151 0.000 1.164 384 Y CB -0.584 37.713 38.460 -0.271 0.000 0.978 384 Y HN 0.157 nan 8.280 nan 0.000 0.513 385 Y N 0.060 120.466 120.300 0.176 0.000 2.578 385 Y HA 0.186 4.716 4.550 -0.035 0.000 0.297 385 Y C 1.961 177.808 175.900 -0.089 0.000 1.176 385 Y CA 0.744 58.850 58.100 0.011 0.000 1.315 385 Y CB -0.138 38.449 38.460 0.211 0.000 1.031 385 Y HN 0.336 nan 8.280 nan 0.000 0.524 386 G N -0.259 108.562 108.800 0.035 0.000 2.201 386 G HA2 -0.303 3.636 3.960 -0.034 0.000 0.212 386 G HA3 -0.303 3.636 3.960 -0.034 0.000 0.212 386 G C 0.514 175.505 174.900 0.150 0.000 0.994 386 G CA -0.027 45.119 45.100 0.076 0.000 0.644 386 G HN 0.290 nan 8.290 nan 0.000 0.508 387 M N 3.454 123.108 119.600 0.091 0.000 3.213 387 M HA 0.396 4.856 4.480 -0.034 0.000 0.275 387 M C 1.653 178.099 176.300 0.242 0.000 1.424 387 M CA 0.893 56.273 55.300 0.134 0.000 1.561 387 M CB -0.059 32.519 32.600 -0.037 0.000 1.109 387 M HN 0.335 nan 8.290 nan 0.000 0.552 388 T N -0.929 113.718 114.554 0.156 0.000 3.122 388 T HA 0.132 4.462 4.350 -0.034 0.000 0.250 388 T C 0.265 174.953 174.700 -0.019 0.000 1.067 388 T CA -0.382 61.795 62.100 0.129 0.000 0.966 388 T CB -0.089 68.816 68.868 0.061 0.000 1.002 388 T HN 0.642 nan 8.240 nan 0.000 0.542 389 E N 2.961 123.090 120.200 -0.118 0.000 1.861 389 E HA 0.182 4.511 4.350 -0.034 0.000 0.263 389 E C 1.336 177.690 176.600 -0.410 0.000 1.137 389 E CA -0.446 55.731 56.400 -0.372 0.000 0.944 389 E CB 0.382 29.476 29.700 -1.010 0.000 1.092 389 E HN 0.690 nan 8.360 nan 0.000 0.420 390 M N 1.376 120.631 119.600 -0.574 0.000 2.106 390 M HA -0.220 4.239 4.480 -0.034 0.000 0.259 390 M C 0.957 176.923 176.300 -0.558 0.000 1.068 390 M CA 1.827 56.525 55.300 -1.003 0.000 1.100 390 M CB -0.899 31.448 32.600 -0.422 0.000 1.351 390 M HN 0.178 nan 8.290 nan 0.000 0.404 391 N N -0.745 117.836 118.700 -0.198 0.000 2.585 391 N HA -0.141 4.578 4.740 -0.034 0.000 0.188 391 N C 1.305 176.827 175.510 0.021 0.000 1.102 391 N CA 0.765 53.794 53.050 -0.036 0.000 0.920 391 N CB -0.170 38.285 38.487 -0.054 0.000 0.963 391 N HN 0.427 nan 8.380 nan 0.000 0.447 392 Y N -0.098 120.169 120.300 -0.055 0.000 2.503 392 Y HA 0.008 4.541 4.550 -0.029 0.000 0.278 392 Y C 1.378 177.451 175.900 0.288 0.000 1.111 392 Y CA 0.328 58.531 58.100 0.171 0.000 1.270 392 Y CB 0.046 38.721 38.460 0.359 0.000 1.063 392 Y HN 0.005 nan 8.280 nan 0.000 0.548 393 Y N 0.306 120.679 120.300 0.121 0.000 2.151 393 Y HA -0.273 4.254 4.550 -0.037 0.000 0.284 393 Y C 2.545 178.459 175.900 0.023 0.000 1.166 393 Y CA 1.576 59.708 58.100 0.054 0.000 1.163 393 Y CB -1.623 36.915 38.460 0.131 0.000 0.974 393 Y HN 0.086 nan 8.280 nan 0.000 0.511 394 T N -0.443 114.255 114.554 0.240 0.000 2.881 394 T HA -0.102 4.227 4.350 -0.034 0.000 0.270 394 T C 2.278 177.028 174.700 0.083 0.000 1.068 394 T CA 1.061 63.279 62.100 0.197 0.000 1.131 394 T CB -0.624 68.339 68.868 0.159 0.000 0.871 394 T HN 0.129 nan 8.240 nan 0.000 0.479 395 V N 1.620 121.483 119.914 -0.086 0.000 2.295 395 V HA -0.143 3.956 4.120 -0.034 0.000 0.246 395 V C 2.463 178.515 176.094 -0.070 0.000 1.049 395 V CA 1.531 63.722 62.300 -0.183 0.000 1.024 395 V CB -0.635 30.817 31.823 -0.618 0.000 0.648 395 V HN 0.473 nan 8.190 nan 0.000 0.447 396 L N -1.481 119.668 121.223 -0.123 0.000 2.083 396 L HA -0.178 4.141 4.340 -0.034 0.000 0.209 396 L C 2.423 179.387 176.870 0.158 0.000 1.083 396 L CA 1.492 56.297 54.840 -0.059 0.000 0.752 396 L CB -0.671 41.130 42.059 -0.430 0.000 0.899 396 L HN 0.304 nan 8.230 nan 0.000 0.433 397 F N 1.356 121.336 119.950 0.050 0.000 2.134 397 F HA -0.119 4.399 4.527 -0.015 0.000 0.299 397 F C 2.284 178.156 175.800 0.120 0.000 1.097 397 F CA 1.191 59.247 58.000 0.094 0.000 1.264 397 F CB -1.036 38.002 39.000 0.063 0.000 1.001 397 F HN -0.002 nan 8.300 nan 0.000 0.479 398 G N 0.008 108.968 108.800 0.266 0.000 2.476 398 G HA2 -0.256 3.684 3.960 -0.034 0.000 0.218 398 G HA3 -0.256 3.684 3.960 -0.034 0.000 0.218 398 G C 1.885 177.001 174.900 0.360 0.000 1.164 398 G CA 1.506 46.726 45.100 0.200 0.000 0.768 398 G HN 0.324 nan 8.290 nan 0.000 0.560 399 V N 0.806 120.877 119.914 0.261 0.000 2.332 399 V HA -0.203 3.896 4.120 -0.034 0.000 0.248 399 V C 3.034 179.310 176.094 0.303 0.000 1.055 399 V CA 2.337 64.762 62.300 0.209 0.000 1.038 399 V CB -0.565 31.262 31.823 0.007 0.000 0.651 399 V HN 0.520 nan 8.190 nan 0.000 0.450 400 S N -0.159 115.758 115.700 0.360 0.000 2.368 400 S HA -0.230 4.220 4.470 -0.034 0.000 0.224 400 S C 2.192 177.014 174.600 0.370 0.000 1.029 400 S CA 1.517 59.951 58.200 0.390 0.000 0.988 400 S CB -0.316 63.119 63.200 0.392 0.000 0.838 400 S HN 0.441 nan 8.310 nan 0.000 0.462 401 R N 1.752 122.515 120.500 0.439 0.000 2.127 401 R HA 0.134 4.454 4.340 -0.034 0.000 0.238 401 R C 2.195 178.740 176.300 0.410 0.000 1.134 401 R CA 1.654 58.018 56.100 0.440 0.000 0.975 401 R CB -1.432 29.108 30.300 0.399 0.000 0.865 401 R HN 0.462 nan 8.270 nan 0.000 0.447 402 A N 0.528 123.576 122.820 0.382 0.000 1.948 402 A HA -0.158 4.142 4.320 -0.034 0.000 0.220 402 A C 2.220 179.833 177.584 0.049 0.000 1.177 402 A CA 1.683 53.768 52.037 0.080 0.000 0.636 402 A CB -0.639 18.151 19.000 -0.350 0.000 0.815 402 A HN 0.368 nan 8.150 nan 0.000 0.449 403 L N -1.132 120.157 121.223 0.109 0.000 2.083 403 L HA -0.137 4.183 4.340 -0.034 0.000 0.209 403 L C 2.753 179.800 176.870 0.296 0.000 1.083 403 L CA 1.266 56.219 54.840 0.188 0.000 0.752 403 L CB -0.838 41.352 42.059 0.218 0.000 0.899 403 L HN 0.495 nan 8.230 nan 0.000 0.433 404 G N -0.081 108.896 108.800 0.294 0.000 2.408 404 G HA2 -0.118 3.821 3.960 -0.034 0.000 0.213 404 G HA3 -0.118 3.821 3.960 -0.034 0.000 0.213 404 G C 1.648 176.754 174.900 0.344 0.000 1.177 404 G CA 0.753 46.049 45.100 0.326 0.000 0.802 404 G HN 0.272 nan 8.290 nan 0.000 0.533 405 V N -0.351 119.788 119.914 0.375 0.000 2.490 405 V HA -0.015 4.084 4.120 -0.034 0.000 0.250 405 V C 2.574 178.824 176.094 0.260 0.000 1.061 405 V CA 1.476 64.008 62.300 0.386 0.000 1.064 405 V CB -0.511 31.555 31.823 0.405 0.000 0.670 405 V HN 0.294 nan 8.190 nan 0.000 0.461 406 L N 0.310 121.646 121.223 0.188 0.000 2.179 406 L HA 0.112 4.431 4.340 -0.034 0.000 0.208 406 L C 3.021 179.984 176.870 0.155 0.000 1.096 406 L CA 1.247 56.152 54.840 0.109 0.000 0.779 406 L CB -0.822 41.227 42.059 -0.017 0.000 0.922 406 L HN 0.427 nan 8.230 nan 0.000 0.443 407 A N -0.100 122.844 122.820 0.207 0.000 1.933 407 A HA -0.272 4.028 4.320 -0.034 0.000 0.218 407 A C 2.194 179.858 177.584 0.134 0.000 1.175 407 A CA 1.891 53.998 52.037 0.117 0.000 0.628 407 A CB -0.403 18.588 19.000 -0.015 0.000 0.814 407 A HN 0.400 nan 8.150 nan 0.000 0.444 408 Q N -0.740 119.110 119.800 0.084 0.000 2.137 408 Q HA -0.040 4.279 4.340 -0.034 0.000 0.198 408 Q C 1.781 177.829 176.000 0.082 0.000 0.960 408 Q CA 1.343 57.145 55.803 -0.002 0.000 0.847 408 Q CB -0.514 27.978 28.738 -0.411 0.000 0.915 408 Q HN 0.435 nan 8.270 nan 0.000 0.448 409 L N 0.188 121.470 121.223 0.098 0.000 2.081 409 L HA -0.130 4.190 4.340 -0.034 0.000 0.212 409 L C 1.964 178.839 176.870 0.009 0.000 1.080 409 L CA 1.724 56.607 54.840 0.071 0.000 0.754 409 L CB -0.529 41.563 42.059 0.055 0.000 0.893 409 L HN 0.403 nan 8.230 nan 0.000 0.433 410 I N -2.342 118.234 120.570 0.010 0.000 2.226 410 I HA -0.316 3.833 4.170 -0.034 0.000 0.245 410 I C 2.147 178.153 176.117 -0.186 0.000 1.100 410 I CA 1.530 62.804 61.300 -0.044 0.000 1.374 410 I CB -0.408 37.574 38.000 -0.029 0.000 1.057 410 I HN 0.348 nan 8.210 nan 0.000 0.413 411 W N 0.933 122.156 121.300 -0.129 0.000 2.381 411 W HA -0.170 4.466 4.660 -0.039 0.000 0.301 411 W C 2.954 179.233 176.519 -0.401 0.000 1.205 411 W CA 1.292 58.489 57.345 -0.247 0.000 1.285 411 W CB -0.553 28.762 29.460 -0.242 0.000 1.133 411 W HN -0.042 nan 8.180 nan 0.000 0.521 412 S N 0.215 115.802 115.700 -0.189 0.000 2.369 412 S HA -0.270 4.179 4.470 -0.034 0.000 0.225 412 S C 1.846 176.224 174.600 -0.370 0.000 1.043 412 S CA 1.584 59.480 58.200 -0.507 0.000 1.074 412 S CB -0.431 62.715 63.200 -0.089 0.000 0.962 412 S HN 0.087 nan 8.310 nan 0.000 0.433 413 R N 1.363 121.793 120.500 -0.118 0.000 2.096 413 R HA 0.166 4.485 4.340 -0.034 0.000 0.235 413 R C 2.403 178.735 176.300 0.053 0.000 1.127 413 R CA 1.294 57.413 56.100 0.032 0.000 0.968 413 R CB -1.463 28.877 30.300 0.067 0.000 0.861 413 R HN 0.445 nan 8.270 nan 0.000 0.440 414 A N 0.499 123.295 122.820 -0.041 0.000 1.902 414 A HA -0.096 4.204 4.320 -0.034 0.000 0.217 414 A C 2.027 179.547 177.584 -0.106 0.000 1.181 414 A CA 1.213 53.168 52.037 -0.136 0.000 0.623 414 A CB -0.527 18.131 19.000 -0.569 0.000 0.818 414 A HN 0.267 nan 8.150 nan 0.000 0.443 415 L N -0.607 120.521 121.223 -0.158 0.000 2.610 415 L HA 0.161 4.481 4.340 -0.034 0.000 0.232 415 L C 1.514 178.373 176.870 -0.018 0.000 1.149 415 L CA 0.353 55.129 54.840 -0.107 0.000 0.872 415 L CB -0.598 41.317 42.059 -0.241 0.000 0.992 415 L HN 0.580 nan 8.230 nan 0.000 0.447 416 G N 0.082 108.881 108.800 -0.002 0.000 2.273 416 G HA2 -0.300 3.639 3.960 -0.034 0.000 0.280 416 G HA3 -0.300 3.639 3.960 -0.034 0.000 0.280 416 G C 0.035 175.076 174.900 0.235 0.000 1.047 416 G CA -0.360 44.807 45.100 0.112 0.000 0.869 416 G HN 0.117 nan 8.290 nan 0.000 0.502 417 F N 1.091 121.103 119.950 0.104 0.000 2.578 417 F HA 0.314 4.817 4.527 -0.041 0.000 0.376 417 F C -0.293 175.546 175.800 0.065 0.000 1.085 417 F CA -2.235 55.813 58.000 0.081 0.000 1.260 417 F CB 0.024 39.062 39.000 0.062 0.000 1.095 417 F HN 0.090 nan 8.300 nan 0.000 0.573 418 P HA 0.180 nan 4.420 nan 0.000 0.302 418 P C -0.529 176.844 177.300 0.121 0.000 1.307 418 P CA -0.706 62.493 63.100 0.165 0.000 0.754 418 P CB 0.937 32.713 31.700 0.126 0.000 1.298 419 L N 0.385 121.667 121.223 0.098 0.000 2.640 419 L HA -0.059 4.261 4.340 -0.034 0.000 0.280 419 L C 0.675 177.588 176.870 0.071 0.000 1.229 419 L CA 0.631 55.516 54.840 0.074 0.000 0.919 419 L CB -0.722 41.377 42.059 0.066 0.000 1.168 419 L HN 0.353 nan 8.230 nan 0.000 0.496 420 E N 5.875 126.119 120.200 0.073 0.000 2.180 420 E HA 0.202 4.532 4.350 -0.034 0.000 0.283 420 E C -0.584 176.063 176.600 0.079 0.000 1.061 420 E CA -0.542 55.918 56.400 0.100 0.000 0.861 420 E CB 0.390 30.189 29.700 0.165 0.000 1.056 420 E HN 0.421 nan 8.360 nan 0.000 0.407 421 R N 5.656 126.195 120.500 0.066 0.000 3.101 421 R HA 0.254 4.573 4.340 -0.034 0.000 0.242 421 R C -2.639 173.684 176.300 0.038 0.000 1.831 421 R CA -1.314 54.814 56.100 0.048 0.000 1.321 421 R CB 0.362 30.687 30.300 0.041 0.000 1.512 421 R HN 0.592 nan 8.270 nan 0.000 0.568 422 P HA 0.371 nan 4.420 nan 0.000 0.277 422 P C -0.682 176.626 177.300 0.013 0.000 1.271 422 P CA -0.663 62.453 63.100 0.026 0.000 0.795 422 P CB 0.981 32.699 31.700 0.030 0.000 1.101 423 K N 0.265 120.668 120.400 0.003 0.000 2.143 423 K HA 0.458 4.757 4.320 -0.034 0.000 0.272 423 K C -0.089 176.501 176.600 -0.015 0.000 1.001 423 K CA -0.351 55.933 56.287 -0.004 0.000 0.915 423 K CB 0.521 33.017 32.500 -0.006 0.000 1.047 423 K HN 0.631 nan 8.250 nan 0.000 0.458 424 S N 2.646 118.334 115.700 -0.020 0.000 2.759 424 S HA 0.829 5.279 4.470 -0.034 0.000 0.310 424 S C -0.568 174.007 174.600 -0.042 0.000 1.123 424 S CA -0.916 57.263 58.200 -0.036 0.000 0.959 424 S CB 1.232 64.412 63.200 -0.035 0.000 1.172 424 S HN 0.627 nan 8.310 nan 0.000 0.539 425 M N 1.301 120.864 119.600 -0.061 0.000 2.603 425 M HA 0.489 4.948 4.480 -0.034 0.000 0.275 425 M C -1.135 175.124 176.300 -0.069 0.000 1.226 425 M CA -0.178 55.088 55.300 -0.057 0.000 0.870 425 M CB 2.276 34.834 32.600 -0.071 0.000 1.716 425 M HN 1.047 nan 8.290 nan 0.000 0.482 426 S N 0.253 115.928 115.700 -0.041 0.000 2.713 426 S HA 0.481 4.930 4.470 -0.034 0.000 0.283 426 S C 0.512 175.104 174.600 -0.013 0.000 1.161 426 S CA -0.193 57.991 58.200 -0.027 0.000 0.999 426 S CB 1.378 64.575 63.200 -0.004 0.000 1.039 426 S HN 0.770 nan 8.310 nan 0.000 0.548 427 T N 1.253 115.826 114.554 0.032 0.000 2.720 427 T HA -0.123 4.206 4.350 -0.034 0.000 0.268 427 T C 1.221 175.967 174.700 0.076 0.000 1.037 427 T CA 1.786 63.950 62.100 0.107 0.000 1.144 427 T CB -0.638 68.341 68.868 0.185 0.000 0.864 427 T HN 0.661 nan 8.240 nan 0.000 0.444 428 D N 0.617 121.046 120.400 0.048 0.000 2.104 428 D HA -0.066 4.553 4.640 -0.034 0.000 0.194 428 D C 2.359 178.675 176.300 0.027 0.000 0.994 428 D CA 1.393 55.413 54.000 0.035 0.000 0.830 428 D CB -0.695 40.120 40.800 0.024 0.000 0.959 428 D HN 0.463 nan 8.370 nan 0.000 0.452 429 G N 1.173 109.983 108.800 0.017 0.000 2.459 429 G HA2 -0.240 3.699 3.960 -0.034 0.000 0.217 429 G HA3 -0.240 3.699 3.960 -0.034 0.000 0.217 429 G C 1.790 176.697 174.900 0.011 0.000 1.183 429 G CA 0.344 45.449 45.100 0.009 0.000 0.776 429 G HN 0.268 nan 8.290 nan 0.000 0.552 430 L N 0.345 121.576 121.223 0.013 0.000 2.017 430 L HA -0.088 4.231 4.340 -0.034 0.000 0.208 430 L C 2.972 179.868 176.870 0.043 0.000 1.073 430 L CA 1.315 56.168 54.840 0.022 0.000 0.745 430 L CB -0.397 41.676 42.059 0.023 0.000 0.894 430 L HN 0.316 nan 8.230 nan 0.000 0.432 431 I N 0.123 120.727 120.570 0.057 0.000 2.087 431 I HA -0.360 3.789 4.170 -0.034 0.000 0.240 431 I C 2.790 178.926 176.117 0.031 0.000 1.054 431 I CA 1.707 63.036 61.300 0.049 0.000 1.311 431 I CB -0.963 37.066 38.000 0.049 0.000 1.024 431 I HN 0.215 nan 8.210 nan 0.000 0.402 432 A N 0.668 123.503 122.820 0.025 0.000 1.940 432 A HA -0.102 4.198 4.320 -0.034 0.000 0.219 432 A C 1.503 179.096 177.584 0.015 0.000 1.176 432 A CA 1.009 53.056 52.037 0.017 0.000 0.631 432 A CB -0.843 18.165 19.000 0.013 0.000 0.814 432 A HN 0.326 nan 8.150 nan 0.000 0.446 433 L N 0.000 121.232 121.223 0.015 0.000 2.949 433 L HA 0.000 4.319 4.340 -0.034 0.000 0.249 433 L CA 0.000 54.847 54.840 0.012 0.000 0.813 433 L CB 0.000 42.064 42.059 0.009 0.000 0.961 433 L HN 0.000 nan 8.230 nan 0.000 0.502