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 3ho2_1_A DATA FIRST_RESID 2 DATA SEQUENCE KRRVVVTGLG MLSPVGNTVE STWKALLAGQ SGISLIDHFD TSAYATKFAG DATA SEQUENCE LVKDFNCEDI ISRKEQRKMD AFIQYGIVAG VQAMQDSGLE ITEENATRIG DATA SEQUENCE AAIGSGIGGL GLIEENHTSL MNGGPRKISP FFVPSTIVNM VAGHLTIMYG DATA SEQUENCE LRGPSISIAT AATSGVHNIG HAARIIAYGD ADVMVAGGAE KASTPLGVGG DATA SEQUENCE FGAARALSTR NDNPQAASRP WDKERDGFVL GDGAGMLVLE EYEHAKKRGA DATA SEQUENCE KIYAELVGFG MSSDAYHMTS PPENGAGAAL AMANALRDAG IEASQIGYVN DATA SEQUENCE AHGTSTPAGD KAEAQAVKTI FGEAASRVLV SSTKSMTGHL LGAAGAVESI DATA SEQUENCE YSILALRDQA VPPTINLDNP DEGCDLDFVP HEARQVSGME YTLCNSFGFG DATA SEQUENCE GTNGSLIFKK I 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.626 176.600 0.043 0.000 0.988 2 K CA 0.000 56.303 56.287 0.026 0.000 0.838 2 K CB 0.000 32.516 32.500 0.026 0.000 1.064 3 R N 3.662 124.188 120.500 0.042 0.000 2.234 3 R HA 0.376 4.716 4.340 -0.000 0.000 0.324 3 R C -0.241 176.099 176.300 0.068 0.000 1.054 3 R CA -0.675 55.462 56.100 0.062 0.000 0.912 3 R CB 0.990 31.321 30.300 0.051 0.000 1.030 3 R HN 0.443 nan 8.270 nan 0.000 0.455 4 R N 1.433 121.989 120.500 0.093 0.000 2.500 4 R HA 0.417 4.757 4.340 -0.000 0.000 0.277 4 R C -0.541 175.808 176.300 0.081 0.000 1.026 4 R CA -0.687 55.450 56.100 0.061 0.000 1.058 4 R CB 1.262 31.568 30.300 0.011 0.000 1.078 4 R HN 0.230 nan 8.270 nan 0.000 0.509 5 V N 3.086 123.024 119.914 0.041 0.000 2.487 5 V HA 0.408 4.528 4.120 -0.000 0.000 0.298 5 V C -0.070 176.055 176.094 0.052 0.000 1.028 5 V CA -0.696 61.637 62.300 0.056 0.000 0.860 5 V CB 1.598 33.441 31.823 0.034 0.000 0.991 5 V HN 0.623 nan 8.190 nan 0.000 0.427 6 V N 2.818 122.788 119.914 0.092 0.000 3.113 6 V HA 0.793 4.913 4.120 -0.000 0.000 0.316 6 V C -0.501 175.665 176.094 0.120 0.000 1.125 6 V CA -0.942 61.418 62.300 0.100 0.000 1.026 6 V CB 2.147 34.046 31.823 0.127 0.000 1.080 6 V HN 0.445 nan 8.190 nan 0.000 0.444 7 V N 1.672 121.667 119.914 0.135 0.000 2.370 7 V HA 0.517 4.637 4.120 -0.000 0.000 0.283 7 V C 1.053 177.272 176.094 0.209 0.000 1.023 7 V CA 0.574 62.953 62.300 0.132 0.000 0.857 7 V CB 0.982 32.849 31.823 0.074 0.000 0.985 7 V HN 1.190 nan 8.190 nan 0.000 0.443 8 T N -0.029 114.635 114.554 0.184 0.000 3.043 8 T HA 0.476 4.825 4.350 -0.000 0.000 0.272 8 T C 0.482 175.323 174.700 0.236 0.000 0.990 8 T CA 0.344 62.559 62.100 0.191 0.000 0.897 8 T CB 0.537 69.471 68.868 0.111 0.000 1.111 8 T HN 1.004 nan 8.240 nan 0.000 0.529 9 G N 0.845 109.777 108.800 0.221 0.000 2.732 9 G HA2 0.608 4.568 3.960 -0.000 0.000 0.296 9 G HA3 0.608 4.568 3.960 -0.000 0.000 0.296 9 G C -1.981 172.912 174.900 -0.012 0.000 1.448 9 G CA -0.884 44.313 45.100 0.162 0.000 0.911 9 G HN 0.335 nan 8.290 nan 0.000 0.528 10 L N 0.525 121.704 121.223 -0.073 0.000 2.388 10 L HA 0.907 5.247 4.340 -0.000 0.000 0.264 10 L C 0.323 177.138 176.870 -0.091 0.000 0.998 10 L CA -0.906 53.822 54.840 -0.187 0.000 0.817 10 L CB 2.744 44.559 42.059 -0.407 0.000 1.338 10 L HN 0.837 nan 8.230 nan 0.000 0.414 11 G N 2.211 110.962 108.800 -0.082 0.000 2.719 11 G HA2 0.759 4.719 3.960 -0.000 0.000 0.298 11 G HA3 0.759 4.719 3.960 -0.000 0.000 0.298 11 G C -1.706 173.176 174.900 -0.030 0.000 1.411 11 G CA -0.420 44.661 45.100 -0.032 0.000 0.991 11 G HN 0.530 nan 8.290 nan 0.000 0.509 12 M N 1.617 121.216 119.600 -0.002 0.000 2.449 12 M HA 0.625 5.105 4.480 -0.000 0.000 0.291 12 M C -2.289 174.021 176.300 0.016 0.000 1.148 12 M CA -0.653 54.650 55.300 0.004 0.000 0.925 12 M CB 1.877 34.483 32.600 0.010 0.000 1.767 12 M HN 0.397 nan 8.290 nan 0.000 0.503 13 L N 3.398 124.616 121.223 -0.008 0.000 2.409 13 L HA 0.852 5.192 4.340 -0.000 0.000 0.272 13 L C -0.712 176.122 176.870 -0.060 0.000 0.980 13 L CA -0.433 54.374 54.840 -0.055 0.000 0.826 13 L CB 2.215 44.173 42.059 -0.167 0.000 1.268 13 L HN 0.901 nan 8.230 nan 0.000 0.407 14 S N 1.598 117.281 115.700 -0.029 0.000 2.671 14 S HA 0.617 5.087 4.470 -0.000 0.000 0.277 14 S C -2.639 171.961 174.600 -0.001 0.000 1.165 14 S CA -1.250 56.957 58.200 0.011 0.000 0.822 14 S CB 2.210 65.471 63.200 0.102 0.000 1.150 14 S HN 0.268 nan 8.310 nan 0.000 0.479 15 P HA 0.071 nan 4.420 nan 0.000 0.230 15 P C 1.027 178.338 177.300 0.018 0.000 1.158 15 P CA 0.698 63.810 63.100 0.020 0.000 0.769 15 P CB -0.082 31.644 31.700 0.042 0.000 0.807 16 V N -5.519 114.409 119.914 0.022 0.000 3.319 16 V HA 0.689 4.809 4.120 -0.000 0.000 0.317 16 V C 0.489 176.592 176.094 0.015 0.000 1.411 16 V CA 0.163 62.468 62.300 0.009 0.000 1.112 16 V CB -0.108 31.708 31.823 -0.012 0.000 1.031 16 V HN 0.079 nan 8.190 nan 0.000 0.448 17 G N 0.371 109.185 108.800 0.022 0.000 2.376 17 G HA2 0.220 4.180 3.960 -0.000 0.000 0.302 17 G HA3 0.220 4.180 3.960 -0.000 0.000 0.302 17 G C -0.926 173.990 174.900 0.027 0.000 1.586 17 G CA -0.415 44.701 45.100 0.027 0.000 0.907 17 G HN -0.017 nan 8.290 nan 0.000 0.655 18 N N 0.143 118.859 118.700 0.026 0.000 2.251 18 N HA 0.243 4.983 4.740 -0.000 0.000 0.217 18 N C 0.570 176.101 175.510 0.035 0.000 1.124 18 N CA 0.687 53.754 53.050 0.028 0.000 0.843 18 N CB 1.062 39.568 38.487 0.033 0.000 1.024 18 N HN 0.968 nan 8.380 nan 0.000 0.501 19 T N -4.983 109.596 114.554 0.042 0.000 2.841 19 T HA 0.375 4.725 4.350 -0.000 0.000 0.296 19 T C 1.113 175.849 174.700 0.059 0.000 1.166 19 T CA -0.690 61.436 62.100 0.044 0.000 1.007 19 T CB 1.181 70.075 68.868 0.043 0.000 1.253 19 T HN -0.270 nan 8.240 nan 0.000 0.511 20 V N 1.263 121.206 119.914 0.048 0.000 2.261 20 V HA -0.107 4.013 4.120 -0.000 0.000 0.246 20 V C 2.793 178.952 176.094 0.109 0.000 1.047 20 V CA 1.892 64.223 62.300 0.052 0.000 1.015 20 V CB -0.762 31.047 31.823 -0.024 0.000 0.642 20 V HN 0.888 nan 8.190 nan 0.000 0.446 21 E N 0.885 121.145 120.200 0.101 0.000 2.110 21 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 21 E C 2.490 179.178 176.600 0.146 0.000 0.988 21 E CA 1.716 58.205 56.400 0.148 0.000 0.804 21 E CB -0.566 29.204 29.700 0.116 0.000 0.745 21 E HN 0.759 nan 8.360 nan 0.000 0.458 22 S N 0.423 116.180 115.700 0.095 0.000 2.383 22 S HA -0.106 4.364 4.470 -0.000 0.000 0.227 22 S C 2.186 176.827 174.600 0.069 0.000 1.026 22 S CA 1.556 59.795 58.200 0.066 0.000 0.981 22 S CB -0.606 62.620 63.200 0.043 0.000 0.818 22 S HN 0.099 nan 8.310 nan 0.000 0.472 23 T N 1.016 115.630 114.554 0.101 0.000 2.708 23 T HA -0.087 4.263 4.350 -0.000 0.000 0.266 23 T C 1.300 176.069 174.700 0.115 0.000 1.037 23 T CA 1.281 63.443 62.100 0.103 0.000 1.146 23 T CB -0.551 68.414 68.868 0.161 0.000 0.865 23 T HN 0.653 nan 8.240 nan 0.000 0.435 24 W N 2.277 123.552 121.300 -0.041 0.000 2.363 24 W HA -0.120 4.540 4.660 -0.000 0.000 0.296 24 W C 2.293 178.763 176.519 -0.082 0.000 1.212 24 W CA 1.251 58.548 57.345 -0.081 0.000 1.260 24 W CB -0.151 29.296 29.460 -0.022 0.000 1.131 24 W HN 0.219 nan 8.180 nan 0.000 0.530 25 K N 0.655 121.048 120.400 -0.013 0.000 2.063 25 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 25 K C 2.193 178.685 176.600 -0.180 0.000 1.048 25 K CA 1.880 58.085 56.287 -0.137 0.000 0.928 25 K CB -0.453 32.026 32.500 -0.035 0.000 0.713 25 K HN 0.072 nan 8.250 nan 0.000 0.442 26 A N 1.168 123.917 122.820 -0.117 0.000 1.930 26 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 26 A C 2.097 179.575 177.584 -0.176 0.000 1.175 26 A CA 1.157 53.124 52.037 -0.117 0.000 0.627 26 A CB -0.487 18.473 19.000 -0.066 0.000 0.815 26 A HN 0.312 nan 8.150 nan 0.000 0.443 27 L N -0.759 120.317 121.223 -0.246 0.000 2.056 27 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 27 L C 2.453 179.088 176.870 -0.391 0.000 1.078 27 L CA 0.963 55.610 54.840 -0.321 0.000 0.749 27 L CB -0.518 41.289 42.059 -0.421 0.000 0.901 27 L HN 0.348 nan 8.230 nan 0.000 0.433 28 L N -0.265 120.625 121.223 -0.556 0.000 2.191 28 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 28 L C 2.434 179.128 176.870 -0.294 0.000 1.103 28 L CA 0.799 55.329 54.840 -0.516 0.000 0.769 28 L CB -0.515 41.153 42.059 -0.652 0.000 0.908 28 L HN 0.238 nan 8.230 nan 0.000 0.438 29 A N -0.507 122.172 122.820 -0.235 0.000 2.251 29 A HA 0.301 4.621 4.320 -0.000 0.000 0.209 29 A C 1.702 179.217 177.584 -0.116 0.000 1.187 29 A CA 0.594 52.541 52.037 -0.150 0.000 0.823 29 A CB -0.411 18.516 19.000 -0.122 0.000 0.846 29 A HN 0.474 nan 8.150 nan 0.000 0.486 30 G N -0.515 108.208 108.800 -0.128 0.000 2.179 30 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.257 30 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.257 30 G C 0.018 174.878 174.900 -0.067 0.000 1.010 30 G CA 0.470 45.518 45.100 -0.086 0.000 0.736 30 G HN 0.675 nan 8.290 nan 0.000 0.513 31 Q N 0.135 119.888 119.800 -0.079 0.000 2.314 31 Q HA 0.504 4.844 4.340 -0.000 0.000 0.258 31 Q C 0.512 176.482 176.000 -0.049 0.000 0.954 31 Q CA 0.246 56.014 55.803 -0.058 0.000 0.890 31 Q CB 1.356 30.059 28.738 -0.058 0.000 1.210 31 Q HN 0.282 nan 8.270 nan 0.000 0.410 32 S N 0.589 116.267 115.700 -0.036 0.000 2.554 32 S HA 0.500 4.970 4.470 -0.000 0.000 0.278 32 S C 0.614 175.205 174.600 -0.015 0.000 1.242 32 S CA -0.376 57.808 58.200 -0.026 0.000 1.051 32 S CB 0.882 64.064 63.200 -0.029 0.000 0.986 32 S HN 0.773 nan 8.310 nan 0.000 0.502 33 G N 3.635 112.435 108.800 0.000 0.000 3.393 33 G HA2 0.231 4.191 3.960 -0.000 0.000 0.255 33 G HA3 0.231 4.191 3.960 -0.000 0.000 0.255 33 G C 0.108 175.027 174.900 0.031 0.000 1.097 33 G CA -0.259 44.849 45.100 0.013 0.000 0.780 33 G HN 0.613 nan 8.290 nan 0.000 0.540 34 I N 2.464 123.051 120.570 0.029 0.000 2.441 34 I HA 0.404 4.574 4.170 -0.000 0.000 0.287 34 I C 0.550 176.688 176.117 0.035 0.000 1.049 34 I CA -0.598 60.736 61.300 0.057 0.000 1.381 34 I CB 0.410 38.441 38.000 0.053 0.000 1.409 34 I HN 0.153 nan 8.210 nan 0.000 0.523 35 S N 6.118 121.864 115.700 0.077 0.000 2.671 35 S HA 0.665 5.135 4.470 -0.000 0.000 0.277 35 S C -0.704 173.960 174.600 0.108 0.000 1.165 35 S CA -1.043 57.190 58.200 0.055 0.000 0.822 35 S CB 1.367 64.589 63.200 0.038 0.000 1.150 35 S HN 0.389 nan 8.310 nan 0.000 0.479 36 L N 1.320 122.584 121.223 0.068 0.000 2.416 36 L HA 0.355 4.695 4.340 -0.000 0.000 0.272 36 L C -0.064 176.814 176.870 0.014 0.000 1.161 36 L CA -0.443 54.436 54.840 0.065 0.000 0.845 36 L CB 0.139 42.212 42.059 0.023 0.000 1.119 36 L HN 0.586 nan 8.230 nan 0.000 0.464 37 I N 2.723 123.253 120.570 -0.066 0.000 2.575 37 I HA -0.026 4.144 4.170 -0.000 0.000 0.285 37 I C 0.515 176.504 176.117 -0.214 0.000 1.085 37 I CA 0.391 61.586 61.300 -0.175 0.000 1.403 37 I CB 0.960 38.669 38.000 -0.485 0.000 1.409 37 I HN 0.739 nan 8.210 nan 0.000 0.557 38 D N 2.405 122.736 120.400 -0.115 0.000 2.502 38 D HA -0.107 4.533 4.640 -0.000 0.000 0.232 38 D C 1.284 177.547 176.300 -0.062 0.000 1.137 38 D CA 0.156 54.103 54.000 -0.088 0.000 0.827 38 D CB -0.117 40.684 40.800 0.002 0.000 1.141 38 D HN 0.637 nan 8.370 nan 0.000 0.517 39 H N 0.315 119.350 119.070 -0.060 0.000 2.551 39 H HA 0.207 4.763 4.556 -0.000 0.000 0.266 39 H C -0.291 175.129 175.328 0.154 0.000 0.977 39 H CA -0.032 56.048 56.048 0.054 0.000 1.163 39 H CB -0.450 29.374 29.762 0.103 0.000 1.381 39 H HN 0.294 nan 8.280 nan 0.000 0.581 40 F N -0.729 118.995 119.950 -0.377 0.000 2.631 40 F HA 0.394 4.921 4.527 -0.000 0.000 0.308 40 F C -1.000 174.681 175.800 -0.200 0.000 1.097 40 F CA -1.776 56.072 58.000 -0.253 0.000 0.952 40 F CB 1.277 40.105 39.000 -0.286 0.000 1.307 40 F HN -0.248 nan 8.300 nan 0.000 0.450 41 D N 1.930 122.389 120.400 0.098 0.000 2.342 41 D HA 0.114 4.754 4.640 -0.000 0.000 0.260 41 D C 1.063 177.408 176.300 0.075 0.000 1.278 41 D CA 0.497 54.524 54.000 0.045 0.000 0.910 41 D CB 1.214 42.081 40.800 0.111 0.000 1.079 41 D HN 0.773 nan 8.370 nan 0.000 0.496 42 T N -0.138 114.348 114.554 -0.114 0.000 3.144 42 T HA 0.027 4.377 4.350 -0.000 0.000 0.249 42 T C 1.703 176.518 174.700 0.193 0.000 1.089 42 T CA -0.073 62.001 62.100 -0.044 0.000 0.989 42 T CB 0.001 68.689 68.868 -0.301 0.000 0.992 42 T HN 0.148 nan 8.240 nan 0.000 0.540 43 S N 2.429 118.218 115.700 0.149 0.000 2.368 43 S HA -0.137 4.333 4.470 -0.000 0.000 0.226 43 S C 2.366 177.041 174.600 0.126 0.000 1.044 43 S CA 1.483 59.751 58.200 0.112 0.000 1.062 43 S CB -0.760 62.489 63.200 0.082 0.000 0.931 43 S HN 0.834 nan 8.310 nan 0.000 0.440 44 A N -0.229 122.685 122.820 0.155 0.000 2.238 44 A HA 0.236 4.556 4.320 -0.000 0.000 0.208 44 A C 0.019 177.556 177.584 -0.078 0.000 1.177 44 A CA 0.094 52.139 52.037 0.013 0.000 0.804 44 A CB -0.299 18.658 19.000 -0.072 0.000 0.823 44 A HN 0.431 nan 8.150 nan 0.000 0.482 45 Y N -1.099 119.226 120.300 0.042 0.000 2.304 45 Y HA 0.425 4.975 4.550 0.000 0.000 0.328 45 Y C 1.504 177.408 175.900 0.006 0.000 1.123 45 Y CA -0.282 57.840 58.100 0.036 0.000 1.218 45 Y CB 1.052 39.556 38.460 0.072 0.000 1.207 45 Y HN 0.129 nan 8.280 nan 0.000 0.495 46 A N 1.960 124.836 122.820 0.092 0.000 1.969 46 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 46 A C 0.888 178.497 177.584 0.041 0.000 1.169 46 A CA 1.210 53.278 52.037 0.052 0.000 0.635 46 A CB -0.407 18.605 19.000 0.020 0.000 0.810 46 A HN 0.654 nan 8.150 nan 0.000 0.445 47 T N 0.079 114.642 114.554 0.015 0.000 2.779 47 T HA 0.483 4.833 4.350 -0.000 0.000 0.280 47 T C 0.120 174.717 174.700 -0.172 0.000 0.987 47 T CA -0.443 61.547 62.100 -0.183 0.000 0.966 47 T CB 1.402 70.069 68.868 -0.334 0.000 0.933 47 T HN 0.302 nan 8.240 nan 0.000 0.442 48 K N 2.112 122.406 120.400 -0.176 0.000 2.536 48 K HA 0.299 4.619 4.320 -0.000 0.000 0.203 48 K C -0.544 176.041 176.600 -0.025 0.000 1.063 48 K CA -0.272 55.963 56.287 -0.086 0.000 1.063 48 K CB 0.452 32.971 32.500 0.031 0.000 0.843 48 K HN 0.623 nan 8.250 nan 0.000 0.521 49 F N -1.086 118.823 119.950 -0.069 0.000 2.629 49 F HA 0.880 5.407 4.527 -0.000 0.000 0.316 49 F C -0.879 174.909 175.800 -0.021 0.000 1.081 49 F CA -1.481 56.488 58.000 -0.053 0.000 0.954 49 F CB 1.257 40.237 39.000 -0.034 0.000 1.337 49 F HN -0.164 nan 8.300 nan 0.000 0.474 50 A N -0.024 122.928 122.820 0.220 0.000 2.540 50 A HA 0.693 5.013 4.320 -0.000 0.000 0.291 50 A C -0.977 176.708 177.584 0.168 0.000 1.083 50 A CA -0.496 51.631 52.037 0.151 0.000 0.650 50 A CB 0.715 19.767 19.000 0.087 0.000 1.292 50 A HN 1.714 nan 8.150 nan 0.000 0.435 51 G N 0.639 109.521 108.800 0.136 0.000 2.457 51 G HA2 0.542 4.502 3.960 -0.000 0.000 0.316 51 G HA3 0.542 4.502 3.960 -0.000 0.000 0.316 51 G C -0.337 174.616 174.900 0.089 0.000 1.030 51 G CA -0.149 45.014 45.100 0.105 0.000 1.073 51 G HN 0.607 nan 8.290 nan 0.000 0.430 52 L N 1.878 123.149 121.223 0.079 0.000 2.360 52 L HA 0.378 4.718 4.340 -0.000 0.000 0.271 52 L C 0.305 177.189 176.870 0.023 0.000 1.057 52 L CA -1.162 53.717 54.840 0.065 0.000 0.803 52 L CB 1.886 43.990 42.059 0.076 0.000 1.207 52 L HN 0.084 nan 8.230 nan 0.000 0.445 53 V N 2.199 122.102 119.914 -0.017 0.000 2.455 53 V HA 0.101 4.221 4.120 -0.000 0.000 0.273 53 V C 0.231 176.323 176.094 -0.002 0.000 1.045 53 V CA -0.321 61.926 62.300 -0.088 0.000 0.976 53 V CB 0.909 32.506 31.823 -0.375 0.000 0.993 53 V HN 0.588 nan 8.190 nan 0.000 0.475 54 K N 3.710 124.119 120.400 0.015 0.000 2.205 54 K HA 0.280 4.600 4.320 -0.000 0.000 0.279 54 K C 0.285 176.922 176.600 0.061 0.000 1.027 54 K CA -0.272 56.039 56.287 0.041 0.000 0.932 54 K CB 0.400 32.918 32.500 0.029 0.000 1.032 54 K HN 0.699 nan 8.250 nan 0.000 0.466 55 D N 2.067 122.512 120.400 0.075 0.000 2.686 55 D HA -0.260 4.379 4.640 -0.000 0.000 0.235 55 D C -0.437 175.923 176.300 0.099 0.000 1.160 55 D CA 0.689 54.732 54.000 0.073 0.000 0.645 55 D CB -1.071 39.749 40.800 0.033 0.000 1.039 55 D HN 0.336 nan 8.370 nan 0.000 0.423 56 F N 1.591 121.540 119.950 -0.001 0.000 2.607 56 F HA 0.143 4.670 4.527 0.000 0.000 0.374 56 F C 0.560 176.375 175.800 0.025 0.000 1.104 56 F CA -0.112 57.889 58.000 0.003 0.000 1.296 56 F CB 0.346 39.394 39.000 0.080 0.000 1.085 56 F HN -0.004 nan 8.300 nan 0.000 0.584 57 N N 4.288 122.525 118.700 -0.771 0.000 2.430 57 N HA 0.387 5.127 4.740 -0.000 0.000 0.290 57 N C -0.520 174.509 175.510 -0.802 0.000 1.063 57 N CA -0.569 52.100 53.050 -0.634 0.000 0.883 57 N CB 1.007 39.329 38.487 -0.275 0.000 1.465 57 N HN 0.738 nan 8.380 nan 0.000 0.493 58 C N 1.551 120.462 119.300 -0.649 0.000 3.525 58 C HA 0.448 4.908 4.460 -0.000 0.000 0.289 58 C C 1.704 176.580 174.990 -0.190 0.000 1.496 58 C CA -0.417 58.367 59.018 -0.388 0.000 1.804 58 C CB -0.661 26.907 27.740 -0.286 0.000 2.708 58 C HN 0.692 nan 8.230 nan 0.000 0.642 59 E N 3.378 123.476 120.200 -0.171 0.000 2.108 59 E HA -0.221 4.129 4.350 -0.000 0.000 0.203 59 E C 1.588 178.142 176.600 -0.077 0.000 1.022 59 E CA 2.556 58.894 56.400 -0.102 0.000 0.823 59 E CB -0.115 29.534 29.700 -0.085 0.000 0.744 59 E HN 0.880 nan 8.360 nan 0.000 0.456 60 D N -1.464 118.890 120.400 -0.077 0.000 2.355 60 D HA -0.034 4.606 4.640 -0.000 0.000 0.218 60 D C 1.551 177.821 176.300 -0.049 0.000 1.004 60 D CA 0.335 54.303 54.000 -0.055 0.000 0.880 60 D CB -0.043 40.728 40.800 -0.048 0.000 0.911 60 D HN 0.306 nan 8.370 nan 0.000 0.528 61 I N -0.318 120.217 120.570 -0.057 0.000 3.300 61 I HA 0.165 4.335 4.170 -0.000 0.000 0.279 61 I C 0.731 176.822 176.117 -0.044 0.000 1.172 61 I CA 0.243 61.519 61.300 -0.039 0.000 1.431 61 I CB 0.624 38.610 38.000 -0.022 0.000 1.240 61 I HN -0.200 nan 8.210 nan 0.000 0.453 62 I N 0.841 121.379 120.570 -0.054 0.000 2.436 62 I HA 0.227 4.397 4.170 -0.000 0.000 0.289 62 I C 0.392 176.471 176.117 -0.063 0.000 1.010 62 I CA -0.707 60.556 61.300 -0.062 0.000 1.098 62 I CB 1.774 39.735 38.000 -0.065 0.000 1.266 62 I HN 0.071 nan 8.210 nan 0.000 0.434 63 S N 5.565 121.229 115.700 -0.061 0.000 2.580 63 S HA 0.182 4.652 4.470 -0.000 0.000 0.266 63 S C 1.064 175.631 174.600 -0.055 0.000 1.354 63 S CA -0.160 58.008 58.200 -0.052 0.000 1.008 63 S CB 0.958 64.131 63.200 -0.045 0.000 0.898 63 S HN 0.680 nan 8.310 nan 0.000 0.555 64 R N 0.752 121.227 120.500 -0.042 0.000 2.115 64 R HA 0.003 4.343 4.340 -0.000 0.000 0.230 64 R C 1.959 178.233 176.300 -0.044 0.000 1.111 64 R CA 1.225 57.302 56.100 -0.038 0.000 0.976 64 R CB -0.259 30.027 30.300 -0.023 0.000 0.870 64 R HN 0.573 nan 8.270 nan 0.000 0.445 65 K N 0.407 120.782 120.400 -0.041 0.000 2.148 65 K HA -0.098 4.222 4.320 -0.000 0.000 0.204 65 K C 1.827 178.367 176.600 -0.099 0.000 1.050 65 K CA 1.140 57.400 56.287 -0.045 0.000 0.942 65 K CB 0.119 32.605 32.500 -0.023 0.000 0.724 65 K HN 0.066 nan 8.250 nan 0.000 0.446 66 E N 0.374 120.511 120.200 -0.105 0.000 2.122 66 E HA -0.085 4.265 4.350 -0.000 0.000 0.190 66 E C 1.961 178.443 176.600 -0.197 0.000 0.977 66 E CA 0.733 57.040 56.400 -0.155 0.000 0.820 66 E CB -0.000 29.625 29.700 -0.125 0.000 0.770 66 E HN 0.406 nan 8.360 nan 0.000 0.462 67 Q N 0.560 120.277 119.800 -0.139 0.000 2.112 67 Q HA -0.148 4.192 4.340 -0.000 0.000 0.206 67 Q C 2.233 178.158 176.000 -0.125 0.000 0.987 67 Q CA 1.129 56.861 55.803 -0.118 0.000 0.858 67 Q CB -0.240 28.465 28.738 -0.056 0.000 0.905 67 Q HN 0.051 nan 8.270 nan 0.000 0.420 68 R N 1.559 121.985 120.500 -0.124 0.000 2.241 68 R HA -0.120 4.220 4.340 -0.000 0.000 0.224 68 R C 0.771 176.954 176.300 -0.194 0.000 1.101 68 R CA 1.047 57.088 56.100 -0.099 0.000 0.995 68 R CB 0.152 30.419 30.300 -0.055 0.000 0.870 68 R HN 0.203 nan 8.270 nan 0.000 0.463 69 K N -0.084 120.094 120.400 -0.370 0.000 2.387 69 K HA 0.189 4.509 4.320 -0.000 0.000 0.198 69 K C 0.012 176.482 176.600 -0.217 0.000 1.022 69 K CA 0.200 56.165 56.287 -0.538 0.000 1.128 69 K CB 0.471 32.504 32.500 -0.778 0.000 0.853 69 K HN 0.114 nan 8.250 nan 0.000 0.523 70 M N 0.571 120.068 119.600 -0.171 0.000 2.386 70 M HA 0.202 4.682 4.480 -0.000 0.000 0.293 70 M C -0.960 175.267 176.300 -0.121 0.000 1.120 70 M CA -0.932 54.268 55.300 -0.168 0.000 0.909 70 M CB 2.206 34.637 32.600 -0.283 0.000 1.661 70 M HN -0.125 nan 8.290 nan 0.000 0.452 71 D N 1.442 121.783 120.400 -0.098 0.000 2.361 71 D HA 0.369 5.009 4.640 -0.000 0.000 0.239 71 D C 1.099 177.294 176.300 -0.175 0.000 1.200 71 D CA 0.536 54.514 54.000 -0.037 0.000 0.915 71 D CB 1.287 42.183 40.800 0.161 0.000 1.170 71 D HN 0.679 nan 8.370 nan 0.000 0.444 72 A N 2.075 124.781 122.820 -0.189 0.000 1.948 72 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 72 A C 1.980 179.153 177.584 -0.685 0.000 1.177 72 A CA 1.934 53.688 52.037 -0.471 0.000 0.636 72 A CB -1.194 17.486 19.000 -0.533 0.000 0.815 72 A HN 0.730 nan 8.150 nan 0.000 0.449 73 F N -0.078 119.582 119.950 -0.484 0.000 2.216 73 F HA -0.094 4.433 4.527 0.000 0.000 0.300 73 F C 1.706 177.379 175.800 -0.212 0.000 1.085 73 F CA 1.359 59.140 58.000 -0.366 0.000 1.326 73 F CB -0.574 38.323 39.000 -0.171 0.000 1.027 73 F HN 0.158 nan 8.300 nan 0.000 0.497 74 I N 0.641 120.541 120.570 -1.116 0.000 2.252 74 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 74 I C 2.595 178.484 176.117 -0.379 0.000 1.102 74 I CA 1.368 62.161 61.300 -0.845 0.000 1.385 74 I CB -0.663 36.881 38.000 -0.761 0.000 1.064 74 I HN 0.243 nan 8.210 nan 0.000 0.414 75 Q N -0.184 119.427 119.800 -0.315 0.000 2.096 75 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 75 Q C 2.277 178.343 176.000 0.110 0.000 0.982 75 Q CA 1.651 57.419 55.803 -0.057 0.000 0.850 75 Q CB -0.230 28.527 28.738 0.031 0.000 0.901 75 Q HN 0.465 nan 8.270 nan 0.000 0.422 76 Y N 0.037 120.177 120.300 -0.267 0.000 2.145 76 Y HA -0.113 4.436 4.550 -0.000 0.000 0.286 76 Y C 2.539 178.408 175.900 -0.052 0.000 1.145 76 Y CA 1.138 59.092 58.100 -0.243 0.000 1.148 76 Y CB -1.266 37.031 38.460 -0.271 0.000 0.981 76 Y HN 0.169 nan 8.280 nan 0.000 0.507 77 G N -0.107 108.750 108.800 0.095 0.000 2.418 77 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 77 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 77 G C 1.863 176.804 174.900 0.067 0.000 1.158 77 G CA 1.010 46.151 45.100 0.068 0.000 0.771 77 G HN 0.390 nan 8.290 nan 0.000 0.545 78 I N 0.235 120.835 120.570 0.050 0.000 2.179 78 I HA -0.153 4.017 4.170 -0.000 0.000 0.242 78 I C 2.790 178.980 176.117 0.122 0.000 1.088 78 I CA 0.484 61.830 61.300 0.076 0.000 1.357 78 I CB -0.228 37.787 38.000 0.026 0.000 1.051 78 I HN 0.028 nan 8.210 nan 0.000 0.409 79 V N 1.024 121.042 119.914 0.173 0.000 2.287 79 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 79 V C 2.692 178.867 176.094 0.135 0.000 1.053 79 V CA 2.132 64.542 62.300 0.184 0.000 1.027 79 V CB -1.043 30.969 31.823 0.316 0.000 0.646 79 V HN 0.515 nan 8.190 nan 0.000 0.447 80 A N 0.268 123.163 122.820 0.124 0.000 1.972 80 A HA -0.070 4.249 4.320 -0.000 0.000 0.219 80 A C 2.371 179.983 177.584 0.047 0.000 1.169 80 A CA 1.868 53.948 52.037 0.072 0.000 0.635 80 A CB -1.054 17.977 19.000 0.053 0.000 0.810 80 A HN 0.547 nan 8.150 nan 0.000 0.446 81 G N -0.698 108.136 108.800 0.057 0.000 2.394 81 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.215 81 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.215 81 G C 1.489 176.404 174.900 0.025 0.000 1.165 81 G CA 1.084 46.201 45.100 0.027 0.000 0.784 81 G HN 0.288 nan 8.290 nan 0.000 0.535 82 V N 0.560 120.543 119.914 0.115 0.000 2.295 82 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 82 V C 2.903 179.056 176.094 0.097 0.000 1.049 82 V CA 2.210 64.622 62.300 0.187 0.000 1.024 82 V CB -0.636 31.308 31.823 0.201 0.000 0.648 82 V HN 0.413 nan 8.190 nan 0.000 0.447 83 Q N -0.338 119.504 119.800 0.069 0.000 2.077 83 Q HA -0.251 4.089 4.340 -0.000 0.000 0.206 83 Q C 2.417 178.432 176.000 0.025 0.000 0.989 83 Q CA 2.034 57.865 55.803 0.048 0.000 0.853 83 Q CB -0.431 28.330 28.738 0.039 0.000 0.907 83 Q HN 0.692 nan 8.270 nan 0.000 0.418 84 A N 0.495 123.313 122.820 -0.002 0.000 1.902 84 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 84 A C 2.033 179.592 177.584 -0.042 0.000 1.181 84 A CA 1.287 53.309 52.037 -0.026 0.000 0.623 84 A CB -0.350 18.621 19.000 -0.049 0.000 0.818 84 A HN 0.248 nan 8.150 nan 0.000 0.443 85 M N -0.562 118.975 119.600 -0.105 0.000 2.132 85 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 85 M C 2.242 178.515 176.300 -0.045 0.000 1.065 85 M CA 1.434 56.622 55.300 -0.187 0.000 1.122 85 M CB -1.413 30.839 32.600 -0.580 0.000 1.365 85 M HN 0.536 nan 8.290 nan 0.000 0.411 86 Q N -0.209 119.607 119.800 0.026 0.000 2.079 86 Q HA -0.210 4.130 4.340 -0.000 0.000 0.200 86 Q C 1.681 177.710 176.000 0.049 0.000 0.974 86 Q CA 1.663 57.504 55.803 0.064 0.000 0.840 86 Q CB -0.176 28.611 28.738 0.082 0.000 0.898 86 Q HN 0.472 nan 8.270 nan 0.000 0.430 87 D N -0.119 120.310 120.400 0.047 0.000 2.178 87 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 87 D C 1.972 178.312 176.300 0.068 0.000 0.980 87 D CA 1.477 55.518 54.000 0.068 0.000 0.842 87 D CB -0.000 40.854 40.800 0.091 0.000 0.948 87 D HN 0.206 nan 8.370 nan 0.000 0.472 88 S N -1.126 114.604 115.700 0.051 0.000 2.423 88 S HA 0.051 4.521 4.470 -0.000 0.000 0.231 88 S C 2.046 176.667 174.600 0.034 0.000 1.014 88 S CA 1.184 59.413 58.200 0.048 0.000 0.965 88 S CB -0.516 62.701 63.200 0.029 0.000 0.785 88 S HN 0.515 nan 8.310 nan 0.000 0.495 89 G N 0.527 109.346 108.800 0.032 0.000 2.168 89 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.263 89 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.263 89 G C -0.065 174.856 174.900 0.035 0.000 0.977 89 G CA 0.347 45.466 45.100 0.031 0.000 0.659 89 G HN 0.795 nan 8.290 nan 0.000 0.533 90 L N 0.781 122.027 121.223 0.038 0.000 2.453 90 L HA 0.599 4.939 4.340 -0.000 0.000 0.272 90 L C 0.350 177.257 176.870 0.061 0.000 1.182 90 L CA 0.220 55.090 54.840 0.051 0.000 0.858 90 L CB 0.610 42.700 42.059 0.052 0.000 1.120 90 L HN 0.258 nan 8.230 nan 0.000 0.474 91 E N 4.927 125.164 120.200 0.063 0.000 2.133 91 E HA 0.360 4.710 4.350 -0.000 0.000 0.274 91 E C -0.846 175.800 176.600 0.076 0.000 0.930 91 E CA -0.664 55.776 56.400 0.067 0.000 0.770 91 E CB 1.092 30.819 29.700 0.046 0.000 1.104 91 E HN 0.409 nan 8.360 nan 0.000 0.403 92 I N 3.134 123.759 120.570 0.092 0.000 2.474 92 I HA 0.197 4.366 4.170 -0.000 0.000 0.287 92 I C 0.847 177.005 176.117 0.069 0.000 1.048 92 I CA -0.087 61.267 61.300 0.090 0.000 1.383 92 I CB 0.507 38.578 38.000 0.120 0.000 1.412 92 I HN 0.553 nan 8.210 nan 0.000 0.531 93 T N 0.788 115.379 114.554 0.061 0.000 2.838 93 T HA 0.356 4.706 4.350 -0.000 0.000 0.292 93 T C 0.722 175.448 174.700 0.042 0.000 1.113 93 T CA -0.618 61.510 62.100 0.046 0.000 1.008 93 T CB 1.905 70.797 68.868 0.040 0.000 1.259 93 T HN 0.538 nan 8.240 nan 0.000 0.520 94 E N 0.216 120.436 120.200 0.033 0.000 2.160 94 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 94 E C 1.803 178.421 176.600 0.031 0.000 0.991 94 E CA 1.744 58.162 56.400 0.029 0.000 0.810 94 E CB -0.118 29.596 29.700 0.022 0.000 0.742 94 E HN 0.764 nan 8.360 nan 0.000 0.466 95 E N -0.611 119.609 120.200 0.033 0.000 2.152 95 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 95 E C 1.603 178.230 176.600 0.045 0.000 0.983 95 E CA 0.980 57.401 56.400 0.035 0.000 0.818 95 E CB 0.079 29.799 29.700 0.034 0.000 0.758 95 E HN 0.169 nan 8.360 nan 0.000 0.467 96 N N -0.249 118.483 118.700 0.054 0.000 2.251 96 N HA 0.019 4.758 4.740 -0.000 0.000 0.181 96 N C 1.497 177.036 175.510 0.048 0.000 1.019 96 N CA 1.069 54.159 53.050 0.066 0.000 0.862 96 N CB -0.279 38.256 38.487 0.081 0.000 0.992 96 N HN 0.174 nan 8.380 nan 0.000 0.429 97 A N -0.145 122.703 122.820 0.046 0.000 1.971 97 A HA -0.218 4.102 4.320 -0.000 0.000 0.222 97 A C 2.281 179.885 177.584 0.032 0.000 1.182 97 A CA 2.289 54.352 52.037 0.043 0.000 0.649 97 A CB -1.231 17.794 19.000 0.042 0.000 0.818 97 A HN 0.335 nan 8.150 nan 0.000 0.458 98 T N -1.588 112.983 114.554 0.029 0.000 3.055 98 T HA 0.012 4.362 4.350 -0.000 0.000 0.265 98 T C 1.646 176.356 174.700 0.017 0.000 1.111 98 T CA 0.757 62.871 62.100 0.023 0.000 1.118 98 T CB -0.174 68.708 68.868 0.024 0.000 0.909 98 T HN 0.399 nan 8.240 nan 0.000 0.501 99 R N 0.278 120.785 120.500 0.012 0.000 2.468 99 R HA 0.352 4.692 4.340 -0.000 0.000 0.280 99 R C -0.398 175.882 176.300 -0.033 0.000 0.963 99 R CA 0.070 56.164 56.100 -0.009 0.000 1.083 99 R CB 0.462 30.754 30.300 -0.015 0.000 1.200 99 R HN 0.369 nan 8.270 nan 0.000 0.541 100 I N -0.175 120.386 120.570 -0.014 0.000 2.436 100 I HA 0.408 4.578 4.170 -0.000 0.000 0.289 100 I C 0.439 176.553 176.117 -0.004 0.000 1.010 100 I CA -0.693 60.594 61.300 -0.021 0.000 1.098 100 I CB 2.176 40.169 38.000 -0.010 0.000 1.266 100 I HN -0.051 nan 8.210 nan 0.000 0.434 101 G N 3.820 112.614 108.800 -0.009 0.000 3.166 101 G HA2 0.921 4.880 3.960 -0.000 0.000 0.267 101 G HA3 0.921 4.880 3.960 -0.000 0.000 0.267 101 G C -1.814 173.084 174.900 -0.003 0.000 1.256 101 G CA -0.644 44.457 45.100 0.002 0.000 0.859 101 G HN 0.775 nan 8.290 nan 0.000 0.590 102 A N -1.789 121.034 122.820 0.005 0.000 2.549 102 A HA 0.862 5.182 4.320 -0.000 0.000 0.297 102 A C -0.800 176.793 177.584 0.015 0.000 1.061 102 A CA 0.075 52.116 52.037 0.007 0.000 0.690 102 A CB 1.575 20.584 19.000 0.014 0.000 1.287 102 A HN 2.191 nan 8.150 nan 0.000 0.402 103 A N 2.273 125.103 122.820 0.017 0.000 2.702 103 A HA 0.679 4.999 4.320 -0.000 0.000 0.305 103 A C -0.920 176.684 177.584 0.033 0.000 1.213 103 A CA -0.097 51.957 52.037 0.028 0.000 0.745 103 A CB -0.168 18.852 19.000 0.033 0.000 1.161 103 A HN 0.737 nan 8.150 nan 0.000 0.445 104 I N 1.679 122.275 120.570 0.044 0.000 2.533 104 I HA 0.713 4.883 4.170 -0.000 0.000 0.290 104 I C 0.610 176.774 176.117 0.079 0.000 1.056 104 I CA -0.629 60.705 61.300 0.057 0.000 1.057 104 I CB 2.532 40.566 38.000 0.056 0.000 1.240 104 I HN 0.615 nan 8.210 nan 0.000 0.423 105 G N 2.619 111.473 108.800 0.090 0.000 3.086 105 G HA2 0.755 4.715 3.960 -0.000 0.000 0.282 105 G HA3 0.755 4.715 3.960 -0.000 0.000 0.282 105 G C -1.596 173.373 174.900 0.116 0.000 1.343 105 G CA -0.546 44.615 45.100 0.103 0.000 0.895 105 G HN 0.541 nan 8.290 nan 0.000 0.557 106 S N -2.691 113.048 115.700 0.066 0.000 2.547 106 S HA 0.556 5.026 4.470 -0.000 0.000 0.270 106 S C 0.913 175.475 174.600 -0.063 0.000 1.150 106 S CA 0.586 58.779 58.200 -0.012 0.000 0.850 106 S CB 1.172 64.293 63.200 -0.132 0.000 1.118 106 S HN 1.377 nan 8.310 nan 0.000 0.461 107 G N 1.661 110.410 108.800 -0.085 0.000 2.396 107 G HA2 0.126 4.085 3.960 -0.000 0.000 0.214 107 G HA3 0.126 4.085 3.960 -0.000 0.000 0.214 107 G C 0.912 175.759 174.900 -0.088 0.000 1.166 107 G CA 0.869 45.930 45.100 -0.066 0.000 0.793 107 G HN 0.699 nan 8.290 nan 0.000 0.533 108 I N -0.504 119.973 120.570 -0.155 0.000 4.456 108 I HA 0.295 4.465 4.170 -0.000 0.000 0.329 108 I C 1.578 177.505 176.117 -0.315 0.000 1.313 108 I CA 0.265 61.465 61.300 -0.166 0.000 1.205 108 I CB 0.261 38.211 38.000 -0.083 0.000 1.179 108 I HN 0.349 nan 8.210 nan 0.000 0.419 109 G N 1.834 110.258 108.800 -0.626 0.000 2.552 109 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.265 109 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.265 109 G C 0.593 174.981 174.900 -0.853 0.000 1.234 109 G CA -0.192 44.195 45.100 -1.189 0.000 0.944 109 G HN 0.525 nan 8.290 nan 0.000 0.568 110 G N -0.080 108.513 108.800 -0.345 0.000 3.180 110 G HA2 0.436 4.396 3.960 -0.000 0.000 0.252 110 G HA3 0.436 4.396 3.960 -0.000 0.000 0.252 110 G C 1.484 176.405 174.900 0.036 0.000 0.871 110 G CA 0.557 45.701 45.100 0.074 0.000 1.979 110 G HN 0.732 nan 8.290 nan 0.000 0.624 111 L N 0.611 121.818 121.223 -0.026 0.000 2.013 111 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 111 L C 3.080 179.973 176.870 0.038 0.000 1.073 111 L CA 1.545 56.387 54.840 0.002 0.000 0.753 111 L CB -0.349 41.700 42.059 -0.016 0.000 0.890 111 L HN 0.454 nan 8.230 nan 0.000 0.432 112 G N -0.218 108.610 108.800 0.046 0.000 2.418 112 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 112 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 112 G C 1.568 176.518 174.900 0.083 0.000 1.158 112 G CA 0.570 45.701 45.100 0.053 0.000 0.771 112 G HN 0.268 nan 8.290 nan 0.000 0.545 113 L N -0.015 121.276 121.223 0.115 0.000 2.418 113 L HA 0.222 4.561 4.340 -0.000 0.000 0.218 113 L C 2.664 179.680 176.870 0.243 0.000 1.125 113 L CA 0.002 54.940 54.840 0.163 0.000 0.835 113 L CB -0.134 42.027 42.059 0.169 0.000 0.953 113 L HN 0.211 nan 8.230 nan 0.000 0.454 114 I N -0.062 120.647 120.570 0.232 0.000 2.252 114 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 114 I C 2.315 178.540 176.117 0.180 0.000 1.102 114 I CA 1.302 62.786 61.300 0.308 0.000 1.385 114 I CB -0.078 38.048 38.000 0.212 0.000 1.064 114 I HN 0.264 nan 8.210 nan 0.000 0.414 115 E N 0.442 120.711 120.200 0.115 0.000 2.072 115 E HA -0.279 4.071 4.350 -0.000 0.000 0.191 115 E C 2.041 178.692 176.600 0.084 0.000 0.985 115 E CA 1.233 57.684 56.400 0.085 0.000 0.801 115 E CB -0.090 29.629 29.700 0.032 0.000 0.750 115 E HN 0.459 nan 8.360 nan 0.000 0.452 116 E N 0.954 121.205 120.200 0.085 0.000 2.051 116 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 116 E C 1.927 178.555 176.600 0.047 0.000 0.991 116 E CA 1.040 57.480 56.400 0.068 0.000 0.799 116 E CB 0.083 29.834 29.700 0.084 0.000 0.748 116 E HN 0.165 nan 8.360 nan 0.000 0.449 117 N N -0.362 118.375 118.700 0.061 0.000 2.142 117 N HA -0.181 4.559 4.740 -0.000 0.000 0.186 117 N C 1.879 177.325 175.510 -0.107 0.000 1.023 117 N CA 1.291 54.313 53.050 -0.046 0.000 0.852 117 N CB -0.381 38.022 38.487 -0.139 0.000 0.998 117 N HN 0.305 nan 8.380 nan 0.000 0.424 118 H N 0.799 119.790 119.070 -0.132 0.000 2.389 118 H HA 0.027 4.583 4.556 -0.000 0.000 0.299 118 H C 1.752 177.035 175.328 -0.075 0.000 1.081 118 H CA 1.717 57.692 56.048 -0.121 0.000 1.345 118 H CB -0.172 29.541 29.762 -0.081 0.000 1.393 118 H HN 0.032 nan 8.280 nan 0.000 0.520 119 T N -0.885 113.626 114.554 -0.072 0.000 2.720 119 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 119 T C 2.302 176.928 174.700 -0.124 0.000 1.037 119 T CA 1.538 63.584 62.100 -0.090 0.000 1.144 119 T CB -0.361 68.499 68.868 -0.014 0.000 0.864 119 T HN 0.305 nan 8.240 nan 0.000 0.444 120 S N 1.094 116.734 115.700 -0.101 0.000 2.356 120 S HA -0.049 4.421 4.470 -0.000 0.000 0.223 120 S C 1.956 176.477 174.600 -0.132 0.000 1.032 120 S CA 0.897 59.043 58.200 -0.090 0.000 1.005 120 S CB -0.469 62.693 63.200 -0.064 0.000 0.867 120 S HN 0.360 nan 8.310 nan 0.000 0.449 121 L N 1.566 122.671 121.223 -0.195 0.000 2.017 121 L HA -0.011 4.329 4.340 -0.000 0.000 0.208 121 L C 2.123 178.859 176.870 -0.223 0.000 1.073 121 L CA 1.835 56.547 54.840 -0.212 0.000 0.745 121 L CB -0.582 41.322 42.059 -0.258 0.000 0.894 121 L HN 0.292 nan 8.230 nan 0.000 0.432 122 M N -0.599 118.811 119.600 -0.317 0.000 2.159 122 M HA -0.209 4.271 4.480 -0.000 0.000 0.263 122 M C 2.005 178.224 176.300 -0.134 0.000 1.063 122 M CA 2.209 57.364 55.300 -0.241 0.000 1.110 122 M CB -0.651 31.790 32.600 -0.265 0.000 1.374 122 M HN 0.459 nan 8.290 nan 0.000 0.411 123 N N -0.694 117.937 118.700 -0.116 0.000 2.173 123 N HA -0.047 4.693 4.740 -0.000 0.000 0.184 123 N C 1.398 176.872 175.510 -0.060 0.000 1.025 123 N CA 1.043 54.050 53.050 -0.072 0.000 0.852 123 N CB 0.021 38.475 38.487 -0.056 0.000 0.998 123 N HN 0.352 nan 8.380 nan 0.000 0.427 124 G N -0.589 108.171 108.800 -0.067 0.000 3.839 124 G HA2 0.508 4.468 3.960 -0.000 0.000 0.286 124 G HA3 0.508 4.468 3.960 -0.000 0.000 0.286 124 G C 0.262 175.128 174.900 -0.056 0.000 1.005 124 G CA 0.138 45.206 45.100 -0.053 0.000 0.824 124 G HN 0.494 nan 8.290 nan 0.000 0.489 125 G N 0.785 109.541 108.800 -0.073 0.000 2.795 125 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.664 125 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.664 125 G C -1.088 173.768 174.900 -0.074 0.000 1.381 125 G CA -0.198 44.861 45.100 -0.069 0.000 0.853 125 G HN 0.062 nan 8.290 nan 0.000 0.545 126 P HA -0.101 nan 4.420 nan 0.000 0.223 126 P C 1.693 178.959 177.300 -0.057 0.000 1.144 126 P CA 0.850 63.909 63.100 -0.067 0.000 0.783 126 P CB 0.022 31.692 31.700 -0.050 0.000 0.771 127 R N 0.472 120.944 120.500 -0.047 0.000 2.159 127 R HA -0.053 4.287 4.340 -0.000 0.000 0.237 127 R C 1.723 177.998 176.300 -0.041 0.000 1.131 127 R CA 1.044 57.120 56.100 -0.039 0.000 0.982 127 R CB -0.647 29.634 30.300 -0.032 0.000 0.868 127 R HN 0.148 nan 8.270 nan 0.000 0.453 128 K N 0.163 120.533 120.400 -0.049 0.000 2.404 128 K HA 0.199 4.519 4.320 -0.000 0.000 0.194 128 K C 0.611 177.180 176.600 -0.051 0.000 1.023 128 K CA -0.073 56.187 56.287 -0.045 0.000 1.094 128 K CB 0.135 32.606 32.500 -0.049 0.000 0.841 128 K HN 0.166 nan 8.250 nan 0.000 0.523 129 I N 1.545 122.075 120.570 -0.067 0.000 2.588 129 I HA -0.059 4.111 4.170 -0.000 0.000 0.283 129 I C 0.943 177.045 176.117 -0.025 0.000 1.119 129 I CA -0.124 61.131 61.300 -0.075 0.000 1.419 129 I CB 0.799 38.728 38.000 -0.117 0.000 1.394 129 I HN -0.075 nan 8.210 nan 0.000 0.562 130 S N 6.941 122.656 115.700 0.025 0.000 2.564 130 S HA 0.193 4.663 4.470 -0.000 0.000 0.278 130 S C -1.458 173.133 174.600 -0.015 0.000 1.333 130 S CA -1.123 57.097 58.200 0.034 0.000 1.048 130 S CB 0.946 64.233 63.200 0.144 0.000 0.900 130 S HN 0.365 nan 8.310 nan 0.000 0.505 131 P HA -0.004 nan 4.420 nan 0.000 0.222 131 P C 0.306 177.427 177.300 -0.299 0.000 1.147 131 P CA 1.022 63.928 63.100 -0.323 0.000 0.790 131 P CB 0.003 31.331 31.700 -0.620 0.000 0.780 132 F N -2.935 117.077 119.950 0.104 0.000 2.797 132 F HA 0.142 4.669 4.527 -0.000 0.000 0.302 132 F C 1.861 177.728 175.800 0.111 0.000 1.130 132 F CA -0.626 57.427 58.000 0.090 0.000 1.387 132 F CB -1.296 37.748 39.000 0.073 0.000 1.107 132 F HN -0.149 nan 8.300 nan 0.000 0.577 133 F N 1.068 121.099 119.950 0.134 0.000 2.032 133 F HA -0.324 4.203 4.527 -0.000 0.000 0.297 133 F C 2.126 177.996 175.800 0.116 0.000 1.125 133 F CA 1.970 60.037 58.000 0.111 0.000 1.202 133 F CB -0.849 38.190 39.000 0.065 0.000 0.958 133 F HN -0.156 nan 8.300 nan 0.000 0.491 134 V N 2.076 121.799 119.914 -0.318 0.000 2.237 134 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 134 V C -0.393 175.600 176.094 -0.169 0.000 1.046 134 V CA 2.556 64.629 62.300 -0.378 0.000 1.007 134 V CB -2.299 29.440 31.823 -0.139 0.000 0.638 134 V HN 0.309 nan 8.190 nan 0.000 0.445 135 P HA -0.061 nan 4.420 nan 0.000 0.234 135 P C 1.513 178.846 177.300 0.055 0.000 1.167 135 P CA 1.645 64.764 63.100 0.032 0.000 0.763 135 P CB -0.056 31.698 31.700 0.091 0.000 0.835 136 S N -1.419 114.311 115.700 0.051 0.000 2.524 136 S HA 0.014 4.484 4.470 -0.000 0.000 0.216 136 S C 1.576 176.213 174.600 0.063 0.000 0.987 136 S CA 0.967 59.201 58.200 0.057 0.000 0.909 136 S CB -1.072 62.195 63.200 0.111 0.000 0.781 136 S HN 0.271 nan 8.310 nan 0.000 0.521 137 T N 0.256 114.821 114.554 0.019 0.000 2.987 137 T HA 0.381 4.731 4.350 -0.000 0.000 0.248 137 T C 0.851 175.644 174.700 0.156 0.000 0.997 137 T CA -0.092 62.063 62.100 0.093 0.000 1.013 137 T CB -0.841 67.964 68.868 -0.106 0.000 1.077 137 T HN 0.583 nan 8.240 nan 0.000 0.483 138 I N 1.154 121.756 120.570 0.052 0.000 2.813 138 I HA 0.289 4.459 4.170 -0.000 0.000 0.287 138 I C 1.519 177.761 176.117 0.208 0.000 1.196 138 I CA -0.791 60.547 61.300 0.064 0.000 1.421 138 I CB 0.746 38.740 38.000 -0.008 0.000 1.365 138 I HN -0.191 nan 8.210 nan 0.000 0.591 139 V N 4.466 124.456 119.914 0.127 0.000 2.469 139 V HA -0.262 3.858 4.120 -0.000 0.000 0.251 139 V C 2.241 178.466 176.094 0.219 0.000 1.064 139 V CA 2.362 64.766 62.300 0.174 0.000 1.066 139 V CB -1.360 30.487 31.823 0.040 0.000 0.667 139 V HN 1.032 nan 8.190 nan 0.000 0.461 140 N N -0.722 118.053 118.700 0.125 0.000 2.461 140 N HA -0.070 4.670 4.740 -0.000 0.000 0.188 140 N C 1.368 176.918 175.510 0.067 0.000 1.134 140 N CA 0.436 53.536 53.050 0.084 0.000 0.878 140 N CB -0.027 38.484 38.487 0.040 0.000 0.972 140 N HN 0.304 nan 8.380 nan 0.000 0.456 141 M N 0.350 120.001 119.600 0.086 0.000 2.394 141 M HA 0.026 4.506 4.480 -0.000 0.000 0.264 141 M C 1.856 178.194 176.300 0.063 0.000 1.073 141 M CA 0.348 55.672 55.300 0.039 0.000 1.111 141 M CB -0.649 31.982 32.600 0.051 0.000 1.401 141 M HN -0.021 nan 8.290 nan 0.000 0.448 142 V N 0.593 120.521 119.914 0.023 0.000 2.270 142 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 142 V C 2.735 178.867 176.094 0.064 0.000 1.043 142 V CA 1.827 64.139 62.300 0.021 0.000 1.014 142 V CB -1.432 30.393 31.823 0.004 0.000 0.645 142 V HN 0.461 nan 8.190 nan 0.000 0.447 143 A N 0.666 123.518 122.820 0.054 0.000 1.908 143 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 143 A C 2.406 180.007 177.584 0.029 0.000 1.181 143 A CA 2.190 54.253 52.037 0.043 0.000 0.627 143 A CB -1.306 17.715 19.000 0.035 0.000 0.818 143 A HN 0.544 nan 8.150 nan 0.000 0.445 144 G N -1.532 107.264 108.800 -0.006 0.000 2.421 144 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 144 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 144 G C 1.546 176.386 174.900 -0.101 0.000 1.171 144 G CA 1.057 46.111 45.100 -0.076 0.000 0.775 144 G HN 0.671 nan 8.290 nan 0.000 0.543 145 H N 0.233 119.298 119.070 -0.008 0.000 2.357 145 H HA 0.073 4.629 4.556 -0.000 0.000 0.301 145 H C 2.768 178.115 175.328 0.032 0.000 1.082 145 H CA 1.025 57.068 56.048 -0.008 0.000 1.342 145 H CB -0.145 29.595 29.762 -0.036 0.000 1.389 145 H HN 0.244 nan 8.280 nan 0.000 0.511 146 L N 0.636 121.965 121.223 0.177 0.000 2.093 146 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 146 L C 2.829 179.825 176.870 0.210 0.000 1.085 146 L CA 1.621 56.587 54.840 0.210 0.000 0.755 146 L CB -0.472 41.684 42.059 0.162 0.000 0.904 146 L HN 0.395 nan 8.230 nan 0.000 0.435 147 T N -2.264 112.360 114.554 0.117 0.000 2.821 147 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 147 T C 1.770 176.522 174.700 0.086 0.000 1.046 147 T CA 0.998 63.156 62.100 0.096 0.000 1.139 147 T CB -0.450 68.446 68.868 0.047 0.000 0.871 147 T HN 0.204 nan 8.240 nan 0.000 0.454 148 I N 0.724 121.326 120.570 0.053 0.000 2.202 148 I HA -0.084 4.086 4.170 -0.000 0.000 0.242 148 I C 2.853 178.984 176.117 0.023 0.000 1.091 148 I CA 1.374 62.690 61.300 0.026 0.000 1.368 148 I CB -0.373 37.625 38.000 -0.004 0.000 1.058 148 I HN 0.188 nan 8.210 nan 0.000 0.410 149 M N -0.733 118.886 119.600 0.032 0.000 2.108 149 M HA -0.239 4.241 4.480 -0.000 0.000 0.261 149 M C 1.780 177.944 176.300 -0.225 0.000 1.066 149 M CA 2.150 57.398 55.300 -0.086 0.000 1.107 149 M CB -0.310 32.235 32.600 -0.091 0.000 1.356 149 M HN 0.175 nan 8.290 nan 0.000 0.406 150 Y N -0.665 119.649 120.300 0.022 0.000 2.457 150 Y HA 0.285 4.835 4.550 0.000 0.000 0.263 150 Y C 1.483 177.393 175.900 0.017 0.000 1.164 150 Y CA 0.363 58.475 58.100 0.020 0.000 1.274 150 Y CB 0.195 38.668 38.460 0.022 0.000 1.097 150 Y HN 0.400 nan 8.280 nan 0.000 0.523 151 G N 1.186 110.049 108.800 0.104 0.000 2.198 151 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.257 151 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.257 151 G C -0.190 174.759 174.900 0.082 0.000 1.042 151 G CA -0.076 45.067 45.100 0.072 0.000 0.791 151 G HN 0.260 nan 8.290 nan 0.000 0.502 152 L N -0.541 120.740 121.223 0.096 0.000 2.319 152 L HA 0.453 4.793 4.340 -0.000 0.000 0.280 152 L C 1.594 178.491 176.870 0.045 0.000 1.099 152 L CA -0.532 54.350 54.840 0.070 0.000 0.828 152 L CB 0.871 42.972 42.059 0.069 0.000 1.150 152 L HN 0.165 nan 8.230 nan 0.000 0.442 153 R N 2.017 122.538 120.500 0.034 0.000 2.476 153 R HA 0.197 4.537 4.340 -0.000 0.000 0.276 153 R C 0.818 177.130 176.300 0.020 0.000 0.941 153 R CA -0.121 55.994 56.100 0.025 0.000 1.088 153 R CB 0.991 31.306 30.300 0.024 0.000 1.216 153 R HN 0.791 nan 8.270 nan 0.000 0.533 154 G N 2.331 111.142 108.800 0.019 0.000 2.553 154 G HA2 0.250 4.210 3.960 -0.000 0.000 0.278 154 G HA3 0.250 4.210 3.960 -0.000 0.000 0.278 154 G C -2.375 172.534 174.900 0.015 0.000 1.349 154 G CA -0.898 44.211 45.100 0.016 0.000 1.037 154 G HN -0.112 nan 8.290 nan 0.000 0.508 155 P HA 0.193 nan 4.420 nan 0.000 0.265 155 P C -0.492 176.815 177.300 0.011 0.000 1.193 155 P CA 0.054 63.161 63.100 0.012 0.000 0.765 155 P CB 0.968 32.678 31.700 0.016 0.000 0.823 156 S N 2.954 118.658 115.700 0.008 0.000 2.594 156 S HA 0.818 5.288 4.470 -0.000 0.000 0.296 156 S C -0.249 174.354 174.600 0.006 0.000 1.124 156 S CA -0.806 57.399 58.200 0.009 0.000 1.011 156 S CB 0.595 63.801 63.200 0.010 0.000 1.016 156 S HN 0.449 nan 8.310 nan 0.000 0.485 157 I N -1.079 119.497 120.570 0.010 0.000 3.145 157 I HA 0.911 5.081 4.170 -0.000 0.000 0.313 157 I C -1.079 175.050 176.117 0.020 0.000 1.122 157 I CA -1.049 60.255 61.300 0.006 0.000 0.987 157 I CB 2.391 40.387 38.000 -0.006 0.000 1.236 157 I HN 0.511 nan 8.210 nan 0.000 0.453 158 S N 3.480 119.192 115.700 0.020 0.000 2.750 158 S HA 0.568 5.038 4.470 -0.000 0.000 0.276 158 S C -0.642 173.979 174.600 0.035 0.000 1.165 158 S CA -0.391 57.832 58.200 0.039 0.000 1.047 158 S CB 1.049 64.280 63.200 0.051 0.000 1.056 158 S HN 0.469 nan 8.310 nan 0.000 0.481 159 I N 2.691 123.293 120.570 0.053 0.000 2.331 159 I HA 0.547 4.717 4.170 -0.000 0.000 0.292 159 I C 0.290 176.456 176.117 0.082 0.000 0.998 159 I CA -0.486 60.852 61.300 0.063 0.000 1.267 159 I CB 1.288 39.349 38.000 0.103 0.000 1.386 159 I HN 0.704 nan 8.210 nan 0.000 0.476 160 A N 4.104 126.963 122.820 0.065 0.000 2.399 160 A HA 0.538 4.858 4.320 -0.000 0.000 0.327 160 A C 0.230 177.864 177.584 0.083 0.000 1.367 160 A CA -0.425 51.646 52.037 0.057 0.000 0.842 160 A CB -0.022 18.992 19.000 0.024 0.000 1.142 160 A HN 0.753 nan 8.150 nan 0.000 0.495 161 T N -0.522 114.108 114.554 0.128 0.000 3.483 161 T HA 0.597 4.947 4.350 -0.000 0.000 0.258 161 T C 0.816 175.582 174.700 0.109 0.000 1.013 161 T CA 0.625 62.825 62.100 0.167 0.000 1.078 161 T CB -0.443 68.638 68.868 0.355 0.000 1.111 161 T HN 2.284 nan 8.240 nan 0.000 0.538 162 A N 1.887 124.742 122.820 0.058 0.000 5.483 162 A HA -0.099 4.221 4.320 -0.000 0.000 0.309 162 A C 2.048 179.612 177.584 -0.032 0.000 1.898 162 A CA 1.082 53.118 52.037 -0.001 0.000 0.716 162 A CB -1.904 17.106 19.000 0.016 0.000 1.309 162 A HN 1.745 nan 8.150 nan 0.000 0.380 163 A N -2.188 120.593 122.820 -0.065 0.000 2.216 163 A HA 0.254 4.574 4.320 -0.000 0.000 0.214 163 A C 1.782 179.361 177.584 -0.010 0.000 1.160 163 A CA 2.459 54.493 52.037 -0.006 0.000 0.725 163 A CB -1.002 18.108 19.000 0.183 0.000 0.784 163 A HN 1.431 nan 8.150 nan 0.000 0.472 164 T N -0.504 114.027 114.554 -0.039 0.000 3.100 164 T HA 0.011 4.361 4.350 -0.000 0.000 0.253 164 T C 1.980 176.600 174.700 -0.133 0.000 1.118 164 T CA 0.853 62.864 62.100 -0.148 0.000 1.058 164 T CB -0.013 68.721 68.868 -0.224 0.000 0.953 164 T HN 0.467 nan 8.240 nan 0.000 0.515 165 S N 1.776 117.478 115.700 0.002 0.000 2.359 165 S HA -0.139 4.331 4.470 -0.000 0.000 0.223 165 S C 2.517 177.146 174.600 0.050 0.000 1.039 165 S CA 1.518 59.761 58.200 0.072 0.000 1.042 165 S CB -0.967 62.266 63.200 0.056 0.000 0.915 165 S HN 0.667 nan 8.310 nan 0.000 0.439 166 G N 1.008 109.811 108.800 0.005 0.000 2.440 166 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 166 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 166 G C 1.472 176.357 174.900 -0.024 0.000 1.154 166 G CA 1.066 46.161 45.100 -0.007 0.000 0.767 166 G HN 0.428 nan 8.290 nan 0.000 0.552 167 V N 0.190 120.073 119.914 -0.052 0.000 2.358 167 V HA -0.166 3.954 4.120 -0.000 0.000 0.246 167 V C 2.420 178.482 176.094 -0.053 0.000 1.047 167 V CA 2.164 64.423 62.300 -0.067 0.000 1.035 167 V CB -0.710 31.075 31.823 -0.064 0.000 0.658 167 V HN 0.544 nan 8.190 nan 0.000 0.452 168 H N -0.266 118.849 119.070 0.073 0.000 2.353 168 H HA -0.122 4.434 4.556 -0.000 0.000 0.300 168 H C 2.391 177.753 175.328 0.055 0.000 1.090 168 H CA 1.502 57.656 56.048 0.177 0.000 1.327 168 H CB 0.079 30.006 29.762 0.275 0.000 1.383 168 H HN 0.376 nan 8.280 nan 0.000 0.508 169 N N 0.634 119.428 118.700 0.158 0.000 2.120 169 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 169 N C 1.956 177.450 175.510 -0.028 0.000 1.024 169 N CA 1.065 54.164 53.050 0.081 0.000 0.852 169 N CB -0.036 38.489 38.487 0.063 0.000 1.003 169 N HN 0.331 nan 8.380 nan 0.000 0.424 170 I N 0.838 121.351 120.570 -0.094 0.000 2.179 170 I HA -0.171 3.999 4.170 -0.000 0.000 0.242 170 I C 2.519 178.430 176.117 -0.343 0.000 1.088 170 I CA 1.264 62.475 61.300 -0.150 0.000 1.357 170 I CB -0.590 37.356 38.000 -0.090 0.000 1.051 170 I HN 0.131 nan 8.210 nan 0.000 0.409 171 G N -0.175 108.182 108.800 -0.739 0.000 2.421 171 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 171 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 171 G C 1.551 175.890 174.900 -0.934 0.000 1.171 171 G CA 0.690 44.825 45.100 -1.610 0.000 0.775 171 G HN 0.387 nan 8.290 nan 0.000 0.543 172 H N 0.551 119.428 119.070 -0.321 0.000 2.462 172 H HA 0.134 4.690 4.556 -0.000 0.000 0.292 172 H C 2.869 178.174 175.328 -0.038 0.000 1.049 172 H CA 0.890 56.922 56.048 -0.027 0.000 1.334 172 H CB -0.117 29.677 29.762 0.053 0.000 1.404 172 H HN 0.401 nan 8.280 nan 0.000 0.544 173 A N 1.218 124.037 122.820 -0.002 0.000 1.902 173 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 173 A C 2.701 180.279 177.584 -0.010 0.000 1.181 173 A CA 1.532 53.569 52.037 0.001 0.000 0.623 173 A CB -0.693 18.296 19.000 -0.019 0.000 0.818 173 A HN 0.408 nan 8.150 nan 0.000 0.443 174 A N -0.287 122.495 122.820 -0.064 0.000 1.877 174 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 174 A C 2.225 179.819 177.584 0.016 0.000 1.186 174 A CA 1.508 53.520 52.037 -0.040 0.000 0.620 174 A CB -0.480 18.460 19.000 -0.099 0.000 0.822 174 A HN 0.401 nan 8.150 nan 0.000 0.443 175 R N -0.306 120.209 120.500 0.026 0.000 2.083 175 R HA -0.100 4.240 4.340 -0.000 0.000 0.237 175 R C 2.032 178.412 176.300 0.133 0.000 1.137 175 R CA 1.549 57.711 56.100 0.104 0.000 0.951 175 R CB -1.014 29.377 30.300 0.151 0.000 0.851 175 R HN 0.659 nan 8.270 nan 0.000 0.434 176 I N 0.539 121.174 120.570 0.107 0.000 2.208 176 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 176 I C 2.326 178.517 176.117 0.124 0.000 1.097 176 I CA 1.357 62.722 61.300 0.108 0.000 1.363 176 I CB -0.239 37.801 38.000 0.068 0.000 1.051 176 I HN 0.069 nan 8.210 nan 0.000 0.413 177 I N 0.425 121.043 120.570 0.080 0.000 2.233 177 I HA -0.237 3.933 4.170 -0.000 0.000 0.243 177 I C 2.732 178.896 176.117 0.079 0.000 1.093 177 I CA 1.271 62.607 61.300 0.059 0.000 1.380 177 I CB -0.444 37.574 38.000 0.030 0.000 1.067 177 I HN 0.146 nan 8.210 nan 0.000 0.413 178 A N -0.174 122.700 122.820 0.090 0.000 2.019 178 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 178 A C 2.260 179.910 177.584 0.110 0.000 1.164 178 A CA 1.422 53.512 52.037 0.088 0.000 0.644 178 A CB -0.933 18.117 19.000 0.084 0.000 0.805 178 A HN 0.549 nan 8.150 nan 0.000 0.449 179 Y N -0.302 120.017 120.300 0.032 0.000 2.314 179 Y HA 0.195 4.745 4.550 -0.000 0.000 0.293 179 Y C 1.715 177.630 175.900 0.025 0.000 1.129 179 Y CA 1.497 59.616 58.100 0.031 0.000 1.201 179 Y CB 0.034 38.516 38.460 0.037 0.000 0.999 179 Y HN 0.468 nan 8.280 nan 0.000 0.541 180 G N -0.888 107.966 108.800 0.091 0.000 2.205 180 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.180 180 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.180 180 G C 0.645 175.597 174.900 0.086 0.000 1.004 180 G CA 0.287 45.398 45.100 0.018 0.000 0.670 180 G HN 0.359 nan 8.290 nan 0.000 0.496 181 D N 0.842 121.352 120.400 0.183 0.000 2.363 181 D HA 0.487 5.126 4.640 -0.000 0.000 0.220 181 D C 1.234 177.576 176.300 0.069 0.000 0.994 181 D CA 1.531 55.616 54.000 0.143 0.000 0.890 181 D CB 0.548 41.446 40.800 0.163 0.000 0.906 181 D HN 1.061 nan 8.370 nan 0.000 0.530 182 A N -0.297 122.551 122.820 0.047 0.000 2.601 182 A HA 0.406 4.726 4.320 -0.000 0.000 0.291 182 A C -0.554 177.010 177.584 -0.032 0.000 1.075 182 A CA -0.610 51.429 52.037 0.003 0.000 0.671 182 A CB 1.042 20.044 19.000 0.003 0.000 1.277 182 A HN -0.213 nan 8.150 nan 0.000 0.417 183 D N -0.671 119.666 120.400 -0.104 0.000 2.423 183 D HA 0.294 4.934 4.640 -0.000 0.000 0.212 183 D C -0.037 176.124 176.300 -0.231 0.000 1.060 183 D CA 1.073 54.948 54.000 -0.207 0.000 0.872 183 D CB 1.142 41.683 40.800 -0.432 0.000 1.012 183 D HN 0.271 nan 8.370 nan 0.000 0.503 184 V N 1.589 121.402 119.914 -0.169 0.000 2.888 184 V HA 0.482 4.602 4.120 -0.000 0.000 0.309 184 V C -0.682 175.378 176.094 -0.057 0.000 1.114 184 V CA -0.648 61.585 62.300 -0.111 0.000 0.940 184 V CB 2.837 34.589 31.823 -0.119 0.000 1.021 184 V HN -0.071 nan 8.190 nan 0.000 0.426 185 M N 3.368 122.946 119.600 -0.037 0.000 2.371 185 M HA 0.494 4.974 4.480 -0.000 0.000 0.287 185 M C -1.130 175.152 176.300 -0.031 0.000 1.149 185 M CA -0.486 54.799 55.300 -0.026 0.000 0.929 185 M CB 2.119 34.712 32.600 -0.012 0.000 1.683 185 M HN 0.362 nan 8.290 nan 0.000 0.470 186 V N 2.344 122.235 119.914 -0.038 0.000 2.406 186 V HA 0.812 4.932 4.120 -0.000 0.000 0.272 186 V C 0.242 176.322 176.094 -0.023 0.000 1.043 186 V CA -0.495 61.778 62.300 -0.045 0.000 0.915 186 V CB 0.890 32.671 31.823 -0.071 0.000 0.988 186 V HN 0.942 nan 8.190 nan 0.000 0.466 187 A N 3.626 126.433 122.820 -0.022 0.000 2.435 187 A HA 1.058 5.378 4.320 -0.000 0.000 0.304 187 A C 0.147 177.723 177.584 -0.015 0.000 1.064 187 A CA 0.081 52.111 52.037 -0.012 0.000 0.727 187 A CB 2.121 21.109 19.000 -0.019 0.000 1.284 187 A HN 1.509 nan 8.150 nan 0.000 0.415 188 G N -0.744 108.056 108.800 -0.000 0.000 2.404 188 G HA2 0.652 4.612 3.960 -0.000 0.000 0.253 188 G HA3 0.652 4.612 3.960 -0.000 0.000 0.253 188 G C -0.310 174.604 174.900 0.023 0.000 1.253 188 G CA 0.386 45.484 45.100 -0.003 0.000 0.917 188 G HN 2.114 nan 8.290 nan 0.000 0.480 189 G N -1.463 107.355 108.800 0.031 0.000 2.677 189 G HA2 0.936 4.896 3.960 -0.000 0.000 0.291 189 G HA3 0.936 4.896 3.960 -0.000 0.000 0.291 189 G C -1.048 173.905 174.900 0.089 0.000 1.435 189 G CA 0.520 45.657 45.100 0.063 0.000 0.826 189 G HN 2.059 nan 8.290 nan 0.000 0.491 190 A N 0.095 123.006 122.820 0.151 0.000 2.515 190 A HA 0.914 5.234 4.320 -0.000 0.000 0.298 190 A C -1.130 176.596 177.584 0.237 0.000 1.059 190 A CA -0.550 51.615 52.037 0.214 0.000 0.698 190 A CB 2.428 21.579 19.000 0.252 0.000 1.289 190 A HN 0.843 nan 8.150 nan 0.000 0.404 191 E N 0.444 120.770 120.200 0.210 0.000 2.352 191 E HA 0.567 4.917 4.350 -0.000 0.000 0.280 191 E C -1.416 175.274 176.600 0.150 0.000 0.930 191 E CA -0.409 56.057 56.400 0.110 0.000 0.765 191 E CB 1.571 31.289 29.700 0.030 0.000 1.219 191 E HN 0.341 nan 8.360 nan 0.000 0.434 192 K N 3.065 123.503 120.400 0.064 0.000 3.050 192 K HA 0.474 4.794 4.320 -0.000 0.000 0.185 192 K C -1.080 175.539 176.600 0.033 0.000 1.147 192 K CA -0.052 56.264 56.287 0.048 0.000 0.916 192 K CB 0.855 33.278 32.500 -0.129 0.000 1.119 192 K HN 0.513 nan 8.250 nan 0.000 0.605 193 A N 0.847 123.704 122.820 0.061 0.000 2.379 193 A HA 0.058 4.378 4.320 -0.000 0.000 0.236 193 A C 0.598 178.266 177.584 0.140 0.000 1.272 193 A CA 0.019 52.108 52.037 0.086 0.000 0.886 193 A CB -0.055 19.015 19.000 0.117 0.000 0.962 193 A HN 0.378 nan 8.150 nan 0.000 0.504 194 S N 1.170 116.969 115.700 0.166 0.000 4.183 194 S HA 0.369 4.839 4.470 -0.000 0.000 0.195 194 S C 0.343 175.179 174.600 0.393 0.000 1.421 194 S CA 0.219 58.578 58.200 0.264 0.000 0.920 194 S CB -1.074 62.294 63.200 0.280 0.000 1.525 194 S HN 0.633 nan 8.310 nan 0.000 0.447 195 T N -1.963 112.696 114.554 0.174 0.000 2.864 195 T HA 0.612 4.962 4.350 -0.000 0.000 0.289 195 T C -2.570 171.840 174.700 -0.484 0.000 1.082 195 T CA -2.051 59.989 62.100 -0.101 0.000 1.009 195 T CB 1.179 70.012 68.868 -0.059 0.000 1.234 195 T HN -0.074 nan 8.240 nan 0.000 0.526 196 P HA -0.032 nan 4.420 nan 0.000 0.216 196 P C 1.697 178.938 177.300 -0.099 0.000 1.153 196 P CA 1.073 63.780 63.100 -0.655 0.000 0.858 196 P CB -0.055 31.373 31.700 -0.453 0.000 0.789 197 L N -1.616 119.551 121.223 -0.093 0.000 2.056 197 L HA -0.063 4.277 4.340 -0.000 0.000 0.207 197 L C 2.617 179.491 176.870 0.006 0.000 1.078 197 L CA 1.767 56.590 54.840 -0.027 0.000 0.749 197 L CB -1.448 40.584 42.059 -0.045 0.000 0.901 197 L HN 0.081 nan 8.230 nan 0.000 0.433 198 G N -0.513 108.309 108.800 0.038 0.000 2.414 198 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.215 198 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.215 198 G C 1.559 176.618 174.900 0.265 0.000 1.188 198 G CA 0.890 46.089 45.100 0.164 0.000 0.783 198 G HN 0.167 nan 8.290 nan 0.000 0.537 199 V N 1.504 121.536 119.914 0.196 0.000 2.307 199 V HA -0.021 4.099 4.120 -0.000 0.000 0.245 199 V C 3.124 179.381 176.094 0.272 0.000 1.045 199 V CA 1.985 64.416 62.300 0.218 0.000 1.024 199 V CB -1.060 30.894 31.823 0.219 0.000 0.651 199 V HN 0.435 nan 8.190 nan 0.000 0.449 200 G N -0.098 108.899 108.800 0.329 0.000 2.408 200 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.217 200 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.217 200 G C 1.585 176.540 174.900 0.092 0.000 1.150 200 G CA 0.904 46.154 45.100 0.249 0.000 0.776 200 G HN 0.578 nan 8.290 nan 0.000 0.542 201 G N 0.323 109.153 108.800 0.049 0.000 2.394 201 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.214 201 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.214 201 G C 1.538 176.396 174.900 -0.070 0.000 1.176 201 G CA 0.468 45.529 45.100 -0.064 0.000 0.786 201 G HN 0.308 nan 8.290 nan 0.000 0.533 202 F N 1.760 121.755 119.950 0.074 0.000 2.325 202 F HA 0.130 4.656 4.527 -0.000 0.000 0.299 202 F C 2.801 178.605 175.800 0.007 0.000 1.090 202 F CA 0.682 58.731 58.000 0.082 0.000 1.392 202 F CB -0.449 38.580 39.000 0.047 0.000 1.053 202 F HN 0.178 nan 8.300 nan 0.000 0.521 203 G N -0.346 108.544 108.800 0.150 0.000 2.418 203 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 203 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 203 G C 1.927 176.857 174.900 0.050 0.000 1.158 203 G CA 0.787 45.927 45.100 0.067 0.000 0.771 203 G HN 0.421 nan 8.290 nan 0.000 0.545 204 A N 0.944 123.788 122.820 0.039 0.000 1.972 204 A HA 0.316 4.636 4.320 -0.000 0.000 0.219 204 A C 2.587 180.190 177.584 0.032 0.000 1.169 204 A CA 1.994 54.040 52.037 0.015 0.000 0.635 204 A CB -0.474 18.520 19.000 -0.011 0.000 0.810 204 A HN 0.812 nan 8.150 nan 0.000 0.446 205 A N -1.409 121.453 122.820 0.071 0.000 2.238 205 A HA 0.266 4.586 4.320 -0.000 0.000 0.208 205 A C 1.142 178.793 177.584 0.110 0.000 1.177 205 A CA 0.522 52.619 52.037 0.100 0.000 0.804 205 A CB -0.374 18.731 19.000 0.175 0.000 0.823 205 A HN 0.513 nan 8.150 nan 0.000 0.482 206 R N -2.981 117.569 120.500 0.083 0.000 3.651 206 R HA -0.253 4.087 4.340 -0.000 0.000 0.292 206 R C 0.929 177.280 176.300 0.086 0.000 1.161 206 R CA 0.492 56.630 56.100 0.064 0.000 0.787 206 R CB -2.238 28.093 30.300 0.051 0.000 1.249 206 R HN 0.652 nan 8.270 nan 0.000 0.476 207 A N 0.053 122.944 122.820 0.118 0.000 2.220 207 A HA 0.267 4.587 4.320 -0.000 0.000 0.211 207 A C 0.833 178.329 177.584 -0.147 0.000 1.176 207 A CA 0.133 52.260 52.037 0.149 0.000 0.834 207 A CB 0.497 19.777 19.000 0.467 0.000 0.868 207 A HN 0.171 nan 8.150 nan 0.000 0.488 208 L N 0.240 121.317 121.223 -0.244 0.000 2.343 208 L HA 0.376 4.716 4.340 -0.000 0.000 0.275 208 L C 0.742 177.508 176.870 -0.174 0.000 1.056 208 L CA -0.602 53.995 54.840 -0.405 0.000 0.804 208 L CB 1.694 43.516 42.059 -0.395 0.000 1.203 208 L HN 0.185 nan 8.230 nan 0.000 0.440 209 S N 0.200 115.827 115.700 -0.121 0.000 2.562 209 S HA 0.122 4.592 4.470 -0.000 0.000 0.281 209 S C 0.660 175.305 174.600 0.075 0.000 1.333 209 S CA -0.174 58.054 58.200 0.047 0.000 1.052 209 S CB 0.550 63.862 63.200 0.187 0.000 0.884 209 S HN 0.741 nan 8.310 nan 0.000 0.506 210 T N 1.724 116.357 114.554 0.130 0.000 3.293 210 T HA 0.305 4.655 4.350 -0.000 0.000 0.276 210 T C 0.396 175.253 174.700 0.263 0.000 1.003 210 T CA -0.498 61.696 62.100 0.156 0.000 0.916 210 T CB -0.309 68.603 68.868 0.072 0.000 1.134 210 T HN 0.627 nan 8.240 nan 0.000 0.530 211 R N 1.862 122.556 120.500 0.324 0.000 4.164 211 R HA 0.213 4.553 4.340 -0.000 0.000 0.195 211 R C 0.669 176.989 176.300 0.033 0.000 1.712 211 R CA -0.259 55.908 56.100 0.113 0.000 1.457 211 R CB -0.452 29.844 30.300 -0.006 0.000 1.387 211 R HN 0.250 nan 8.270 nan 0.000 0.785 212 N N 1.351 120.169 118.700 0.197 0.000 2.289 212 N HA -0.187 4.553 4.740 -0.000 0.000 0.184 212 N C 0.771 176.264 175.510 -0.029 0.000 1.016 212 N CA 1.415 54.561 53.050 0.159 0.000 0.872 212 N CB 0.069 38.676 38.487 0.200 0.000 0.973 212 N HN 0.622 nan 8.380 nan 0.000 0.433 213 D N -0.551 119.828 120.400 -0.035 0.000 2.347 213 D HA -0.075 4.565 4.640 -0.000 0.000 0.215 213 D C 0.215 176.458 176.300 -0.095 0.000 0.976 213 D CA 0.530 54.501 54.000 -0.049 0.000 0.884 213 D CB -0.556 40.230 40.800 -0.024 0.000 0.915 213 D HN 0.206 nan 8.370 nan 0.000 0.526 214 N N -0.512 118.090 118.700 -0.163 0.000 2.697 214 N HA 0.170 4.910 4.740 -0.000 0.000 0.253 214 N C -2.334 172.974 175.510 -0.337 0.000 1.604 214 N CA -1.210 51.728 53.050 -0.187 0.000 0.772 214 N CB 1.141 39.553 38.487 -0.124 0.000 1.267 214 N HN -0.254 nan 8.380 nan 0.000 0.510 215 P HA -0.212 nan 4.420 nan 0.000 0.216 215 P C 0.794 177.822 177.300 -0.454 0.000 1.150 215 P CA 1.423 64.029 63.100 -0.823 0.000 0.843 215 P CB 0.222 31.577 31.700 -0.576 0.000 0.787 216 Q N -1.304 118.350 119.800 -0.243 0.000 2.369 216 Q HA 0.051 4.391 4.340 -0.000 0.000 0.206 216 Q C 1.791 177.726 176.000 -0.109 0.000 0.963 216 Q CA 1.139 56.860 55.803 -0.136 0.000 0.894 216 Q CB -0.324 28.361 28.738 -0.088 0.000 0.965 216 Q HN 0.224 nan 8.270 nan 0.000 0.475 217 A N 0.348 123.090 122.820 -0.130 0.000 2.267 217 A HA 0.377 4.697 4.320 -0.000 0.000 0.213 217 A C 2.061 179.596 177.584 -0.082 0.000 1.192 217 A CA 0.622 52.610 52.037 -0.082 0.000 0.851 217 A CB -0.044 18.914 19.000 -0.070 0.000 0.881 217 A HN 0.297 nan 8.150 nan 0.000 0.494 218 A N -0.081 122.659 122.820 -0.134 0.000 1.865 218 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 218 A C 1.692 179.280 177.584 0.006 0.000 1.191 218 A CA 1.613 53.609 52.037 -0.068 0.000 0.623 218 A CB -0.834 18.096 19.000 -0.117 0.000 0.826 218 A HN 0.531 nan 8.150 nan 0.000 0.444 219 S N 0.451 116.157 115.700 0.010 0.000 2.422 219 S HA 0.408 4.878 4.470 -0.000 0.000 0.283 219 S C 0.174 174.748 174.600 -0.043 0.000 1.163 219 S CA -0.449 57.752 58.200 0.000 0.000 1.054 219 S CB -0.271 62.938 63.200 0.015 0.000 0.967 219 S HN 0.505 nan 8.310 nan 0.000 0.499 220 R N 3.493 123.951 120.500 -0.071 0.000 2.754 220 R HA 0.376 4.716 4.340 -0.000 0.000 0.255 220 R C -3.327 172.884 176.300 -0.148 0.000 1.723 220 R CA -1.629 54.423 56.100 -0.080 0.000 1.596 220 R CB 0.215 30.491 30.300 -0.040 0.000 1.424 220 R HN 0.275 nan 8.270 nan 0.000 0.662 221 P HA -0.092 nan 4.420 nan 0.000 0.264 221 P C -0.020 177.036 177.300 -0.406 0.000 1.193 221 P CA 0.335 63.088 63.100 -0.577 0.000 0.763 221 P CB 0.190 31.366 31.700 -0.874 0.000 0.810 222 W N -0.665 120.478 121.300 -0.262 0.000 2.062 222 W HA -0.186 4.473 4.660 -0.000 0.000 0.257 222 W C 0.170 176.571 176.519 -0.197 0.000 1.024 222 W CA 0.596 57.741 57.345 -0.334 0.000 0.471 222 W CB -1.896 27.090 29.460 -0.790 0.000 2.039 222 W HN 0.407 nan 8.180 nan 0.000 1.321 223 D N 1.325 121.723 120.400 -0.003 0.000 2.255 223 D HA 0.150 4.790 4.640 -0.000 0.000 0.249 223 D C 1.187 177.496 176.300 0.015 0.000 1.078 223 D CA 0.123 54.132 54.000 0.015 0.000 0.896 223 D CB 1.040 41.841 40.800 0.001 0.000 1.194 223 D HN -0.013 nan 8.370 nan 0.000 0.429 224 K N 1.731 122.149 120.400 0.032 0.000 2.211 224 K HA -0.138 4.182 4.320 -0.000 0.000 0.204 224 K C 1.197 177.809 176.600 0.020 0.000 1.047 224 K CA 1.104 57.409 56.287 0.030 0.000 0.935 224 K CB 0.200 32.721 32.500 0.036 0.000 0.728 224 K HN 0.501 nan 8.250 nan 0.000 0.452 225 E N 1.178 121.387 120.200 0.015 0.000 2.465 225 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 225 E C -0.204 176.399 176.600 0.006 0.000 1.053 225 E CA -0.273 56.134 56.400 0.012 0.000 0.869 225 E CB 0.157 29.864 29.700 0.012 0.000 0.977 225 E HN 0.280 nan 8.360 nan 0.000 0.483 226 R N 2.046 122.543 120.500 -0.004 0.000 2.623 226 R HA -0.010 4.330 4.340 -0.000 0.000 0.271 226 R C -0.097 176.206 176.300 0.004 0.000 1.043 226 R CA 0.585 56.677 56.100 -0.014 0.000 1.083 226 R CB 0.287 30.557 30.300 -0.051 0.000 0.974 226 R HN -0.107 nan 8.270 nan 0.000 0.436 227 D N 1.256 121.665 120.400 0.015 0.000 2.760 227 D HA 0.235 4.875 4.640 -0.000 0.000 0.314 227 D C 0.146 176.463 176.300 0.028 0.000 1.464 227 D CA 0.064 54.079 54.000 0.026 0.000 0.797 227 D CB 0.474 41.293 40.800 0.033 0.000 1.149 227 D HN 0.902 nan 8.370 nan 0.000 0.455 228 G N 0.467 109.287 108.800 0.032 0.000 2.381 228 G HA2 0.193 4.153 3.960 -0.000 0.000 0.672 228 G HA3 0.193 4.153 3.960 -0.000 0.000 0.672 228 G C -0.596 174.340 174.900 0.060 0.000 1.324 228 G CA -0.691 44.434 45.100 0.043 0.000 0.975 228 G HN 0.315 nan 8.290 nan 0.000 0.593 229 F N -0.585 119.364 119.950 -0.001 0.000 2.375 229 F HA 0.822 5.348 4.527 -0.000 0.000 0.313 229 F C 0.247 176.042 175.800 -0.007 0.000 1.176 229 F CA -1.304 56.680 58.000 -0.026 0.000 1.142 229 F CB 1.229 40.213 39.000 -0.026 0.000 1.275 229 F HN 0.414 nan 8.300 nan 0.000 0.544 230 V N 3.674 123.735 119.914 0.245 0.000 2.417 230 V HA 0.259 4.379 4.120 -0.000 0.000 0.291 230 V C -0.331 175.913 176.094 0.249 0.000 1.024 230 V CA -0.844 61.547 62.300 0.151 0.000 0.861 230 V CB 1.205 33.170 31.823 0.236 0.000 0.985 230 V HN 0.694 nan 8.190 nan 0.000 0.436 231 L N 4.423 125.701 121.223 0.092 0.000 2.380 231 L HA 0.703 5.043 4.340 -0.000 0.000 0.273 231 L C 0.634 177.577 176.870 0.121 0.000 1.138 231 L CA 0.615 55.534 54.840 0.131 0.000 0.832 231 L CB 0.843 42.920 42.059 0.030 0.000 1.124 231 L HN 0.793 nan 8.230 nan 0.000 0.454 232 G N 3.449 112.316 108.800 0.112 0.000 2.571 232 G HA2 0.579 4.539 3.960 -0.000 0.000 0.304 232 G HA3 0.579 4.539 3.960 -0.000 0.000 0.304 232 G C -1.367 173.586 174.900 0.087 0.000 1.314 232 G CA -0.538 44.623 45.100 0.102 0.000 0.975 232 G HN 0.530 nan 8.290 nan 0.000 0.485 233 D N -0.398 120.060 120.400 0.096 0.000 2.272 233 D HA 0.791 5.431 4.640 -0.000 0.000 0.247 233 D C 0.611 176.959 176.300 0.080 0.000 0.990 233 D CA 0.467 54.546 54.000 0.131 0.000 0.931 233 D CB 2.148 43.075 40.800 0.211 0.000 1.195 233 D HN 0.923 nan 8.370 nan 0.000 0.477 234 G N -0.985 107.891 108.800 0.125 0.000 2.350 234 G HA2 0.578 4.537 3.960 -0.000 0.000 0.276 234 G HA3 0.578 4.537 3.960 -0.000 0.000 0.276 234 G C -1.959 172.994 174.900 0.088 0.000 1.313 234 G CA -0.050 45.045 45.100 -0.007 0.000 0.903 234 G HN 0.769 nan 8.290 nan 0.000 0.490 235 A N -1.557 121.280 122.820 0.028 0.000 2.594 235 A HA 0.971 5.291 4.320 -0.000 0.000 0.296 235 A C -0.292 177.298 177.584 0.009 0.000 1.061 235 A CA 0.500 52.570 52.037 0.055 0.000 0.689 235 A CB 1.477 20.536 19.000 0.099 0.000 1.280 235 A HN 2.426 nan 8.150 nan 0.000 0.406 236 G N 1.210 110.004 108.800 -0.009 0.000 2.662 236 G HA2 0.634 4.594 3.960 -0.000 0.000 0.302 236 G HA3 0.634 4.594 3.960 -0.000 0.000 0.302 236 G C -0.971 173.901 174.900 -0.047 0.000 1.389 236 G CA -0.482 44.584 45.100 -0.056 0.000 0.998 236 G HN 0.533 nan 8.290 nan 0.000 0.502 237 M N 1.546 121.110 119.600 -0.059 0.000 2.446 237 M HA 0.536 5.016 4.480 -0.000 0.000 0.294 237 M C -1.587 174.663 176.300 -0.084 0.000 1.158 237 M CA -0.691 54.578 55.300 -0.053 0.000 0.899 237 M CB 2.030 34.613 32.600 -0.029 0.000 1.687 237 M HN 0.261 nan 8.290 nan 0.000 0.455 238 L N 1.833 123.012 121.223 -0.074 0.000 2.381 238 L HA 0.678 5.018 4.340 -0.000 0.000 0.268 238 L C -0.404 176.438 176.870 -0.047 0.000 0.997 238 L CA -0.655 54.136 54.840 -0.082 0.000 0.818 238 L CB 2.041 44.051 42.059 -0.081 0.000 1.310 238 L HN 0.414 nan 8.230 nan 0.000 0.416 239 V N 4.022 123.917 119.914 -0.031 0.000 2.383 239 V HA 0.428 4.548 4.120 -0.000 0.000 0.275 239 V C 0.090 176.192 176.094 0.014 0.000 1.036 239 V CA -0.400 61.891 62.300 -0.015 0.000 0.889 239 V CB 1.143 32.961 31.823 -0.008 0.000 0.985 239 V HN 0.477 nan 8.190 nan 0.000 0.459 240 L N 4.722 125.951 121.223 0.010 0.000 2.344 240 L HA 0.755 5.095 4.340 -0.000 0.000 0.272 240 L C -0.130 176.755 176.870 0.025 0.000 1.035 240 L CA -0.398 54.460 54.840 0.030 0.000 0.807 240 L CB 1.769 43.839 42.059 0.017 0.000 1.237 240 L HN 0.648 nan 8.230 nan 0.000 0.442 241 E N 1.368 121.598 120.200 0.049 0.000 2.354 241 E HA 0.103 4.452 4.350 -0.000 0.000 0.283 241 E C -1.321 175.330 176.600 0.085 0.000 0.938 241 E CA -0.660 55.767 56.400 0.045 0.000 0.777 241 E CB 1.984 31.738 29.700 0.089 0.000 1.222 241 E HN 0.508 nan 8.360 nan 0.000 0.423 242 E N 3.254 123.487 120.200 0.055 0.000 2.452 242 E HA -0.113 4.236 4.350 -0.000 0.000 0.261 242 E C 0.020 176.741 176.600 0.203 0.000 0.987 242 E CA 0.279 56.744 56.400 0.110 0.000 0.926 242 E CB 0.464 30.206 29.700 0.070 0.000 0.934 242 E HN 0.640 nan 8.360 nan 0.000 0.452 243 Y N 5.077 125.413 120.300 0.060 0.000 2.097 243 Y HA -0.240 4.310 4.550 -0.000 0.000 0.282 243 Y C 1.777 177.715 175.900 0.064 0.000 1.152 243 Y CA 2.230 60.365 58.100 0.058 0.000 1.136 243 Y CB 0.156 38.641 38.460 0.043 0.000 0.975 243 Y HN 0.592 nan 8.280 nan 0.000 0.498 244 E N -1.133 119.056 120.200 -0.018 0.000 2.153 244 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 244 E C 2.248 178.814 176.600 -0.057 0.000 0.988 244 E CA 1.281 57.602 56.400 -0.132 0.000 0.811 244 E CB -0.698 28.971 29.700 -0.053 0.000 0.746 244 E HN 0.661 nan 8.360 nan 0.000 0.466 245 H N 0.774 119.816 119.070 -0.046 0.000 2.357 245 H HA 0.020 4.576 4.556 -0.000 0.000 0.301 245 H C 1.872 177.181 175.328 -0.032 0.000 1.082 245 H CA 1.475 57.507 56.048 -0.026 0.000 1.342 245 H CB 0.269 30.034 29.762 0.005 0.000 1.389 245 H HN 0.118 nan 8.280 nan 0.000 0.511 246 A N 1.507 124.401 122.820 0.123 0.000 1.845 246 A HA -0.192 4.127 4.320 -0.000 0.000 0.215 246 A C 2.514 180.069 177.584 -0.048 0.000 1.195 246 A CA 1.854 53.936 52.037 0.074 0.000 0.616 246 A CB -0.460 18.621 19.000 0.134 0.000 0.832 246 A HN 0.429 nan 8.150 nan 0.000 0.443 247 K N -0.285 120.036 120.400 -0.133 0.000 2.001 247 K HA -0.229 4.091 4.320 -0.000 0.000 0.214 247 K C 2.195 178.713 176.600 -0.137 0.000 1.050 247 K CA 1.943 58.130 56.287 -0.167 0.000 0.934 247 K CB -0.249 32.074 32.500 -0.295 0.000 0.718 247 K HN 0.504 nan 8.250 nan 0.000 0.443 248 K N 1.486 121.793 120.400 -0.155 0.000 2.228 248 K HA -0.213 4.107 4.320 -0.000 0.000 0.205 248 K C 1.786 178.302 176.600 -0.140 0.000 1.045 248 K CA 1.739 57.939 56.287 -0.144 0.000 0.931 248 K CB 0.004 32.408 32.500 -0.160 0.000 0.727 248 K HN 0.217 nan 8.250 nan 0.000 0.458 249 R N -1.044 119.363 120.500 -0.155 0.000 2.359 249 R HA 0.165 4.505 4.340 -0.000 0.000 0.231 249 R C 0.613 176.869 176.300 -0.074 0.000 0.913 249 R CA 0.499 56.526 56.100 -0.122 0.000 1.075 249 R CB 0.104 30.319 30.300 -0.142 0.000 1.087 249 R HN 0.160 nan 8.270 nan 0.000 0.515 250 G N 0.954 109.711 108.800 -0.071 0.000 2.295 250 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.287 250 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.287 250 G C 0.238 175.114 174.900 -0.040 0.000 1.055 250 G CA 0.162 45.230 45.100 -0.052 0.000 0.922 250 G HN 0.699 nan 8.290 nan 0.000 0.503 251 A N -0.201 122.600 122.820 -0.032 0.000 2.386 251 A HA 0.648 4.968 4.320 -0.000 0.000 0.248 251 A C 0.837 178.400 177.584 -0.036 0.000 1.082 251 A CA 0.474 52.501 52.037 -0.017 0.000 0.789 251 A CB 0.357 19.369 19.000 0.019 0.000 1.025 251 A HN 1.314 nan 8.150 nan 0.000 0.490 252 K N 1.559 121.918 120.400 -0.069 0.000 2.276 252 K HA 0.564 4.884 4.320 -0.000 0.000 0.283 252 K C -1.196 175.310 176.600 -0.157 0.000 1.044 252 K CA -0.038 56.163 56.287 -0.144 0.000 0.944 252 K CB 0.676 33.038 32.500 -0.231 0.000 1.012 252 K HN 0.466 nan 8.250 nan 0.000 0.472 253 I N 4.529 125.020 120.570 -0.133 0.000 2.382 253 I HA 0.130 4.300 4.170 -0.000 0.000 0.286 253 I C -0.023 176.050 176.117 -0.073 0.000 1.002 253 I CA -0.916 60.361 61.300 -0.038 0.000 1.135 253 I CB 0.958 38.999 38.000 0.069 0.000 1.288 253 I HN 0.719 nan 8.210 nan 0.000 0.448 254 Y N 4.973 125.263 120.300 -0.017 0.000 2.220 254 Y HA 0.217 4.767 4.550 -0.000 0.000 0.291 254 Y C 1.294 177.161 175.900 -0.055 0.000 1.129 254 Y CA 0.928 58.995 58.100 -0.055 0.000 1.161 254 Y CB 0.157 38.557 38.460 -0.099 0.000 0.997 254 Y HN 0.678 nan 8.280 nan 0.000 0.522 255 A N -0.849 122.051 122.820 0.133 0.000 2.515 255 A HA 0.442 4.762 4.320 -0.000 0.000 0.292 255 A C -1.551 176.091 177.584 0.098 0.000 1.065 255 A CA -0.846 51.240 52.037 0.082 0.000 0.641 255 A CB 0.810 19.847 19.000 0.062 0.000 1.306 255 A HN 0.054 nan 8.150 nan 0.000 0.441 256 E N 0.150 120.401 120.200 0.084 0.000 2.195 256 E HA 0.601 4.950 4.350 -0.000 0.000 0.271 256 E C -1.449 175.235 176.600 0.141 0.000 0.923 256 E CA -0.611 55.821 56.400 0.054 0.000 0.790 256 E CB 1.513 31.174 29.700 -0.064 0.000 1.155 256 E HN 0.631 nan 8.360 nan 0.000 0.402 257 L N 6.107 127.385 121.223 0.093 0.000 2.255 257 L HA 0.215 4.555 4.340 -0.000 0.000 0.289 257 L C 0.562 177.389 176.870 -0.072 0.000 1.046 257 L CA -0.320 54.494 54.840 -0.043 0.000 0.816 257 L CB 0.998 43.024 42.059 -0.056 0.000 1.197 257 L HN 0.671 nan 8.230 nan 0.000 0.427 258 V N 1.353 121.217 119.914 -0.083 0.000 3.379 258 V HA 0.530 4.650 4.120 -0.000 0.000 0.249 258 V C 0.632 176.713 176.094 -0.022 0.000 1.184 258 V CA 0.565 62.856 62.300 -0.015 0.000 1.106 258 V CB 0.257 32.123 31.823 0.071 0.000 0.826 258 V HN 0.688 nan 8.190 nan 0.000 0.465 259 G N -0.074 108.689 108.800 -0.061 0.000 2.682 259 G HA2 0.609 4.569 3.960 -0.000 0.000 0.300 259 G HA3 0.609 4.569 3.960 -0.000 0.000 0.300 259 G C -2.118 172.800 174.900 0.031 0.000 1.391 259 G CA -0.566 44.523 45.100 -0.018 0.000 0.990 259 G HN 0.237 nan 8.290 nan 0.000 0.501 260 F N 1.699 121.578 119.950 -0.119 0.000 2.607 260 F HA 0.750 5.277 4.527 0.000 0.000 0.322 260 F C -0.172 175.587 175.800 -0.068 0.000 1.176 260 F CA -1.282 56.649 58.000 -0.115 0.000 0.977 260 F CB 1.886 40.798 39.000 -0.147 0.000 1.242 260 F HN 0.758 nan 8.300 nan 0.000 0.465 261 G N 6.157 114.856 108.800 -0.167 0.000 2.495 261 G HA2 0.682 4.642 3.960 -0.000 0.000 0.318 261 G HA3 0.682 4.642 3.960 -0.000 0.000 0.318 261 G C -1.609 173.123 174.900 -0.279 0.000 1.257 261 G CA -0.875 44.068 45.100 -0.262 0.000 0.962 261 G HN 0.621 nan 8.290 nan 0.000 0.483 262 M N 0.959 120.402 119.600 -0.261 0.000 2.619 262 M HA 0.687 5.167 4.480 -0.000 0.000 0.297 262 M C -0.102 176.178 176.300 -0.033 0.000 1.229 262 M CA -0.731 54.512 55.300 -0.095 0.000 0.860 262 M CB 2.878 35.397 32.600 -0.134 0.000 1.741 262 M HN 0.786 nan 8.290 nan 0.000 0.462 263 S N 0.057 115.776 115.700 0.031 0.000 2.636 263 S HA 0.755 5.225 4.470 -0.000 0.000 0.268 263 S C -1.478 173.143 174.600 0.035 0.000 1.159 263 S CA -0.875 57.330 58.200 0.009 0.000 0.815 263 S CB 1.900 65.089 63.200 -0.018 0.000 1.130 263 S HN 0.593 nan 8.310 nan 0.000 0.471 264 S N 0.507 116.218 115.700 0.018 0.000 2.536 264 S HA 0.491 4.961 4.470 -0.000 0.000 0.287 264 S C -0.398 174.213 174.600 0.018 0.000 1.101 264 S CA -0.703 57.516 58.200 0.033 0.000 0.950 264 S CB 1.736 64.958 63.200 0.037 0.000 1.056 264 S HN 0.716 nan 8.310 nan 0.000 0.481 265 D N 1.980 122.399 120.400 0.032 0.000 2.194 265 D HA 0.125 4.765 4.640 -0.000 0.000 0.204 265 D C 1.237 177.591 176.300 0.091 0.000 0.964 265 D CA 1.165 55.190 54.000 0.041 0.000 0.846 265 D CB -0.217 40.631 40.800 0.080 0.000 0.962 265 D HN 0.862 nan 8.370 nan 0.000 0.490 266 A N -0.530 122.345 122.820 0.092 0.000 2.745 266 A HA -0.287 4.032 4.320 -0.000 0.000 0.296 266 A C 0.575 178.249 177.584 0.150 0.000 1.500 266 A CA 1.527 53.616 52.037 0.086 0.000 0.766 266 A CB -2.300 16.735 19.000 0.057 0.000 1.030 266 A HN 0.502 nan 8.150 nan 0.000 0.489 267 Y N -1.331 118.987 120.300 0.029 0.000 2.972 267 Y HA 0.521 5.071 4.550 -0.000 0.000 0.229 267 Y C 0.638 176.600 175.900 0.103 0.000 0.980 267 Y CA 1.215 59.346 58.100 0.053 0.000 1.475 267 Y CB 0.539 39.029 38.460 0.049 0.000 1.459 267 Y HN 0.717 nan 8.280 nan 0.000 0.460 268 H N 0.222 119.208 119.070 -0.140 0.000 2.996 268 H HA 0.268 4.824 4.556 -0.000 0.000 0.368 268 H C 0.916 176.201 175.328 -0.073 0.000 1.185 268 H CA -0.129 55.775 56.048 -0.240 0.000 1.160 268 H CB 1.521 31.053 29.762 -0.383 0.000 1.820 268 H HN 0.289 nan 8.280 nan 0.000 0.547 269 M N 1.819 121.201 119.600 -0.362 0.000 2.159 269 M HA -0.037 4.443 4.480 -0.000 0.000 0.263 269 M C 0.273 176.517 176.300 -0.094 0.000 1.063 269 M CA 2.439 57.621 55.300 -0.196 0.000 1.110 269 M CB -0.161 32.266 32.600 -0.288 0.000 1.374 269 M HN 0.589 nan 8.290 nan 0.000 0.411 270 T N -3.045 111.583 114.554 0.124 0.000 3.231 270 T HA 0.417 4.766 4.350 -0.000 0.000 0.292 270 T C 0.081 174.845 174.700 0.107 0.000 1.001 270 T CA -0.186 61.814 62.100 -0.167 0.000 0.920 270 T CB 0.205 68.799 68.868 -0.456 0.000 1.140 270 T HN 0.333 nan 8.240 nan 0.000 0.525 271 S N 2.185 118.024 115.700 0.232 0.000 2.533 271 S HA 0.684 5.154 4.470 -0.000 0.000 0.271 271 S C -3.132 171.631 174.600 0.272 0.000 1.143 271 S CA -1.132 57.153 58.200 0.142 0.000 0.891 271 S CB 2.083 65.212 63.200 -0.119 0.000 1.105 271 S HN 0.116 nan 8.310 nan 0.000 0.468 272 P HA 0.486 nan 4.420 nan 0.000 0.281 272 P C -2.890 174.369 177.300 -0.068 0.000 1.264 272 P CA -1.855 61.315 63.100 0.117 0.000 0.824 272 P CB 0.077 31.800 31.700 0.038 0.000 1.092 273 P HA 0.173 nan 4.420 nan 0.000 0.274 273 P C 0.696 177.761 177.300 -0.392 0.000 1.231 273 P CA -0.004 62.510 63.100 -0.977 0.000 0.790 273 P CB 1.105 32.263 31.700 -0.905 0.000 0.951 274 E N 1.133 121.154 120.200 -0.298 0.000 2.130 274 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 274 E C 1.793 178.337 176.600 -0.092 0.000 0.998 274 E CA 1.343 57.670 56.400 -0.120 0.000 0.806 274 E CB -0.325 29.334 29.700 -0.069 0.000 0.738 274 E HN 0.585 nan 8.360 nan 0.000 0.459 275 N N -0.264 118.355 118.700 -0.133 0.000 2.137 275 N HA -0.181 4.559 4.740 -0.000 0.000 0.190 275 N C 1.159 176.625 175.510 -0.074 0.000 1.017 275 N CA 0.856 53.850 53.050 -0.094 0.000 0.859 275 N CB -0.052 38.357 38.487 -0.130 0.000 1.002 275 N HN 0.242 nan 8.380 nan 0.000 0.428 276 G N -0.609 108.129 108.800 -0.105 0.000 2.203 276 G HA2 -0.345 3.614 3.960 -0.000 0.000 0.263 276 G HA3 -0.345 3.614 3.960 -0.000 0.000 0.263 276 G C 0.813 175.646 174.900 -0.112 0.000 1.012 276 G CA 0.698 45.739 45.100 -0.099 0.000 0.749 276 G HN 0.583 nan 8.290 nan 0.000 0.512 277 A N -0.303 122.451 122.820 -0.111 0.000 1.978 277 A HA 0.224 4.544 4.320 -0.000 0.000 0.220 277 A C 2.725 180.250 177.584 -0.099 0.000 1.170 277 A CA 2.269 54.254 52.037 -0.087 0.000 0.636 277 A CB -0.774 18.181 19.000 -0.075 0.000 0.810 277 A HN 1.583 nan 8.150 nan 0.000 0.448 278 G N -0.655 108.063 108.800 -0.137 0.000 2.404 278 G HA2 0.056 4.016 3.960 -0.000 0.000 0.215 278 G HA3 0.056 4.016 3.960 -0.000 0.000 0.215 278 G C 1.784 176.557 174.900 -0.211 0.000 1.174 278 G CA 1.318 46.330 45.100 -0.147 0.000 0.780 278 G HN 0.783 nan 8.290 nan 0.000 0.537 279 A N 1.326 123.926 122.820 -0.367 0.000 1.883 279 A HA 0.158 4.478 4.320 -0.000 0.000 0.217 279 A C 2.832 180.359 177.584 -0.095 0.000 1.186 279 A CA 2.550 54.320 52.037 -0.444 0.000 0.624 279 A CB -0.930 17.729 19.000 -0.569 0.000 0.822 279 A HN 0.833 nan 8.150 nan 0.000 0.444 280 A N -0.532 122.250 122.820 -0.063 0.000 1.865 280 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 280 A C 2.153 179.729 177.584 -0.014 0.000 1.191 280 A CA 1.844 53.879 52.037 -0.004 0.000 0.623 280 A CB -0.754 18.240 19.000 -0.010 0.000 0.826 280 A HN 0.790 nan 8.150 nan 0.000 0.444 281 L N -0.212 120.988 121.223 -0.038 0.000 2.079 281 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 281 L C 2.641 179.495 176.870 -0.027 0.000 1.081 281 L CA 2.242 57.060 54.840 -0.037 0.000 0.752 281 L CB -0.766 41.268 42.059 -0.042 0.000 0.896 281 L HN 0.366 nan 8.230 nan 0.000 0.433 282 A N -0.846 121.967 122.820 -0.011 0.000 1.902 282 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 282 A C 2.277 179.882 177.584 0.035 0.000 1.181 282 A CA 2.082 54.130 52.037 0.019 0.000 0.623 282 A CB -0.510 18.539 19.000 0.082 0.000 0.818 282 A HN 0.528 nan 8.150 nan 0.000 0.443 283 M N -0.658 118.982 119.600 0.065 0.000 2.132 283 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 283 M C 2.581 178.877 176.300 -0.006 0.000 1.065 283 M CA 1.366 56.707 55.300 0.068 0.000 1.122 283 M CB -0.467 32.210 32.600 0.128 0.000 1.365 283 M HN 0.482 nan 8.290 nan 0.000 0.411 284 A N 0.915 123.718 122.820 -0.029 0.000 1.908 284 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 284 A C 1.847 179.393 177.584 -0.063 0.000 1.181 284 A CA 1.970 53.969 52.037 -0.064 0.000 0.627 284 A CB -0.811 18.154 19.000 -0.059 0.000 0.818 284 A HN 0.473 nan 8.150 nan 0.000 0.445 285 N N 0.298 118.965 118.700 -0.055 0.000 2.188 285 N HA -0.064 4.676 4.740 -0.000 0.000 0.184 285 N C 1.867 177.335 175.510 -0.070 0.000 1.018 285 N CA 1.514 54.523 53.050 -0.070 0.000 0.858 285 N CB -0.591 37.844 38.487 -0.087 0.000 0.989 285 N HN 0.473 nan 8.380 nan 0.000 0.426 286 A N 1.106 123.896 122.820 -0.050 0.000 1.898 286 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 286 A C 2.367 179.921 177.584 -0.050 0.000 1.181 286 A CA 0.868 52.886 52.037 -0.032 0.000 0.620 286 A CB -0.723 18.281 19.000 0.007 0.000 0.819 286 A HN 0.198 nan 8.150 nan 0.000 0.442 287 L N -0.881 120.301 121.223 -0.069 0.000 2.017 287 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 287 L C 2.784 179.595 176.870 -0.097 0.000 1.073 287 L CA 1.907 56.683 54.840 -0.106 0.000 0.745 287 L CB -0.462 41.511 42.059 -0.144 0.000 0.894 287 L HN 0.480 nan 8.230 nan 0.000 0.432 288 R N 0.150 120.601 120.500 -0.082 0.000 2.092 288 R HA -0.213 4.127 4.340 -0.000 0.000 0.231 288 R C 1.937 178.204 176.300 -0.054 0.000 1.119 288 R CA 1.943 58.002 56.100 -0.069 0.000 0.970 288 R CB -0.239 30.023 30.300 -0.062 0.000 0.864 288 R HN 0.283 nan 8.270 nan 0.000 0.440 289 D N 0.049 120.419 120.400 -0.050 0.000 2.144 289 D HA -0.094 4.546 4.640 -0.000 0.000 0.199 289 D C 1.590 177.876 176.300 -0.024 0.000 0.984 289 D CA 1.554 55.534 54.000 -0.033 0.000 0.834 289 D CB 0.004 40.787 40.800 -0.028 0.000 0.955 289 D HN 0.382 nan 8.370 nan 0.000 0.465 290 A N -0.754 122.044 122.820 -0.038 0.000 2.119 290 A HA 0.355 4.675 4.320 -0.000 0.000 0.216 290 A C 1.859 179.417 177.584 -0.043 0.000 1.152 290 A CA 1.219 53.236 52.037 -0.032 0.000 0.708 290 A CB -0.542 18.427 19.000 -0.052 0.000 0.805 290 A HN 0.496 nan 8.150 nan 0.000 0.460 291 G N -0.602 108.162 108.800 -0.060 0.000 2.160 291 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.244 291 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.244 291 G C 0.107 174.951 174.900 -0.092 0.000 1.022 291 G CA 0.575 45.640 45.100 -0.058 0.000 0.741 291 G HN 1.451 nan 8.290 nan 0.000 0.508 292 I N -4.569 115.911 120.570 -0.150 0.000 3.206 292 I HA 0.909 5.078 4.170 -0.000 0.000 0.313 292 I C -0.115 175.881 176.117 -0.202 0.000 1.103 292 I CA -1.630 59.539 61.300 -0.218 0.000 0.985 292 I CB 1.591 39.327 38.000 -0.440 0.000 1.240 292 I HN -0.019 nan 8.210 nan 0.000 0.464 293 E N 1.004 121.083 120.200 -0.202 0.000 2.227 293 E HA 0.447 4.796 4.350 -0.000 0.000 0.268 293 E C 0.594 177.054 176.600 -0.234 0.000 0.990 293 E CA -0.566 55.721 56.400 -0.188 0.000 0.856 293 E CB 1.984 31.603 29.700 -0.136 0.000 1.159 293 E HN 0.771 nan 8.360 nan 0.000 0.401 294 A N 1.595 124.229 122.820 -0.311 0.000 1.986 294 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 294 A C 2.122 179.553 177.584 -0.255 0.000 1.171 294 A CA 2.282 54.009 52.037 -0.517 0.000 0.640 294 A CB -0.746 17.689 19.000 -0.942 0.000 0.811 294 A HN 0.609 nan 8.150 nan 0.000 0.451 295 S N -0.562 115.062 115.700 -0.126 0.000 2.442 295 S HA -0.199 4.271 4.470 -0.000 0.000 0.236 295 S C 1.622 176.251 174.600 0.048 0.000 1.007 295 S CA 1.306 59.511 58.200 0.010 0.000 0.965 295 S CB -0.461 62.736 63.200 -0.005 0.000 0.773 295 S HN 0.730 nan 8.310 nan 0.000 0.504 296 Q N 0.105 119.896 119.800 -0.016 0.000 2.451 296 Q HA 0.258 4.598 4.340 -0.000 0.000 0.206 296 Q C -0.203 175.874 176.000 0.129 0.000 0.947 296 Q CA 0.058 55.875 55.803 0.022 0.000 0.937 296 Q CB 0.058 28.704 28.738 -0.153 0.000 1.025 296 Q HN 0.492 nan 8.270 nan 0.000 0.511 297 I N 0.667 121.328 120.570 0.152 0.000 2.416 297 I HA 0.034 4.204 4.170 -0.000 0.000 0.288 297 I C 1.336 177.613 176.117 0.267 0.000 1.051 297 I CA 0.372 61.830 61.300 0.263 0.000 1.375 297 I CB 1.029 39.249 38.000 0.367 0.000 1.407 297 I HN 0.107 nan 8.210 nan 0.000 0.516 298 G N 6.273 115.229 108.800 0.260 0.000 2.595 298 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.213 298 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.213 298 G C -0.081 174.967 174.900 0.246 0.000 1.141 298 G CA 0.462 45.693 45.100 0.219 0.000 0.806 298 G HN 0.525 nan 8.290 nan 0.000 0.530 299 Y N -0.205 120.156 120.300 0.101 0.000 2.482 299 Y HA 0.568 5.118 4.550 -0.000 0.000 0.334 299 Y C -1.763 174.190 175.900 0.089 0.000 1.091 299 Y CA -1.780 56.361 58.100 0.067 0.000 1.027 299 Y CB 1.650 40.170 38.460 0.100 0.000 1.306 299 Y HN -0.097 nan 8.280 nan 0.000 0.446 300 V N 5.887 125.491 119.914 -0.517 0.000 2.378 300 V HA 0.305 4.424 4.120 -0.000 0.000 0.288 300 V C -0.584 175.061 176.094 -0.748 0.000 1.016 300 V CA -0.898 61.118 62.300 -0.474 0.000 0.840 300 V CB 1.412 33.097 31.823 -0.229 0.000 0.994 300 V HN 0.768 nan 8.190 nan 0.000 0.431 301 N N 3.950 122.248 118.700 -0.672 0.000 2.415 301 N HA 0.535 5.274 4.740 -0.000 0.000 0.246 301 N C 0.162 175.630 175.510 -0.071 0.000 1.078 301 N CA -0.126 52.741 53.050 -0.305 0.000 0.942 301 N CB 1.019 39.464 38.487 -0.069 0.000 1.140 301 N HN 0.882 nan 8.380 nan 0.000 0.501 302 A N 2.614 125.471 122.820 0.062 0.000 2.346 302 A HA 0.092 4.412 4.320 -0.000 0.000 0.252 302 A C 1.009 178.583 177.584 -0.017 0.000 1.089 302 A CA -0.147 51.961 52.037 0.119 0.000 0.797 302 A CB 0.217 19.482 19.000 0.441 0.000 1.047 302 A HN 0.983 nan 8.150 nan 0.000 0.494 303 H N 1.102 120.021 119.070 -0.251 0.000 2.326 303 H HA 0.081 4.637 4.556 -0.000 0.000 0.301 303 H C 1.576 176.717 175.328 -0.311 0.000 1.081 303 H CA 1.456 57.251 56.048 -0.421 0.000 1.334 303 H CB -0.659 28.638 29.762 -0.775 0.000 1.385 303 H HN 1.079 nan 8.280 nan 0.000 0.504 304 G N 0.852 109.476 108.800 -0.293 0.000 2.066 304 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.238 304 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.238 304 G C 1.053 175.561 174.900 -0.653 0.000 0.641 304 G CA 1.010 45.759 45.100 -0.585 0.000 1.049 304 G HN 0.771 nan 8.290 nan 0.000 0.369 305 T N -1.880 112.294 114.554 -0.633 0.000 3.088 305 T HA 0.349 4.699 4.350 -0.000 0.000 0.259 305 T C 1.398 175.934 174.700 -0.273 0.000 1.122 305 T CA 1.081 62.853 62.100 -0.546 0.000 1.095 305 T CB 0.283 68.794 68.868 -0.595 0.000 0.930 305 T HN 1.708 nan 8.240 nan 0.000 0.508 306 S N 0.720 116.224 115.700 -0.326 0.000 3.619 306 S HA -0.125 4.345 4.470 -0.000 0.000 0.287 306 S C 0.243 174.791 174.600 -0.086 0.000 1.222 306 S CA 0.573 58.641 58.200 -0.219 0.000 0.821 306 S CB -2.147 60.971 63.200 -0.135 0.000 0.985 306 S HN 1.239 nan 8.310 nan 0.000 0.611 307 T N -1.115 113.399 114.554 -0.066 0.000 2.929 307 T HA 0.689 5.039 4.350 -0.000 0.000 0.284 307 T C -1.508 173.186 174.700 -0.010 0.000 1.014 307 T CA -1.572 60.543 62.100 0.025 0.000 1.051 307 T CB 1.595 70.535 68.868 0.119 0.000 1.028 307 T HN -0.062 nan 8.240 nan 0.000 0.485 308 P HA -0.030 nan 4.420 nan 0.000 0.214 308 P C 1.583 178.903 177.300 0.033 0.000 1.163 308 P CA 1.557 64.668 63.100 0.018 0.000 0.883 308 P CB -0.197 31.521 31.700 0.030 0.000 0.788 309 A N -0.686 122.165 122.820 0.052 0.000 1.970 309 A HA 0.090 4.410 4.320 -0.000 0.000 0.216 309 A C 2.424 180.056 177.584 0.081 0.000 1.170 309 A CA 1.625 53.699 52.037 0.062 0.000 0.645 309 A CB -1.691 17.346 19.000 0.061 0.000 0.816 309 A HN 0.256 nan 8.150 nan 0.000 0.447 310 G N 0.226 109.082 108.800 0.093 0.000 2.404 310 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.215 310 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.215 310 G C 1.060 176.026 174.900 0.110 0.000 1.174 310 G CA 1.208 46.387 45.100 0.131 0.000 0.780 310 G HN 0.436 nan 8.290 nan 0.000 0.537 311 D N 0.653 121.044 120.400 -0.016 0.000 2.144 311 D HA -0.046 4.594 4.640 -0.000 0.000 0.199 311 D C 2.429 178.879 176.300 0.250 0.000 0.984 311 D CA 0.840 54.783 54.000 -0.095 0.000 0.834 311 D CB -0.134 40.332 40.800 -0.555 0.000 0.955 311 D HN 0.304 nan 8.370 nan 0.000 0.465 312 K N 0.505 121.015 120.400 0.183 0.000 2.057 312 K HA 0.003 4.323 4.320 -0.000 0.000 0.206 312 K C 2.146 178.861 176.600 0.192 0.000 1.050 312 K CA 1.037 57.450 56.287 0.211 0.000 0.935 312 K CB -0.068 32.509 32.500 0.128 0.000 0.715 312 K HN 0.030 nan 8.250 nan 0.000 0.439 313 A N 1.456 124.364 122.820 0.147 0.000 1.902 313 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 313 A C 2.046 179.720 177.584 0.151 0.000 1.181 313 A CA 1.733 53.830 52.037 0.100 0.000 0.623 313 A CB -0.425 18.602 19.000 0.044 0.000 0.818 313 A HN 0.388 nan 8.150 nan 0.000 0.443 314 E N -0.382 119.981 120.200 0.272 0.000 2.107 314 E HA -0.047 4.303 4.350 -0.000 0.000 0.191 314 E C 2.130 178.932 176.600 0.338 0.000 0.982 314 E CA 0.805 57.424 56.400 0.365 0.000 0.809 314 E CB -0.222 29.820 29.700 0.570 0.000 0.756 314 E HN 0.547 nan 8.360 nan 0.000 0.459 315 A N 0.756 123.809 122.820 0.388 0.000 1.902 315 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 315 A C 2.126 179.805 177.584 0.158 0.000 1.181 315 A CA 1.703 53.905 52.037 0.275 0.000 0.623 315 A CB -0.570 18.622 19.000 0.320 0.000 0.818 315 A HN 0.245 nan 8.150 nan 0.000 0.443 316 Q N -0.066 119.822 119.800 0.146 0.000 2.050 316 Q HA -0.043 4.297 4.340 -0.000 0.000 0.202 316 Q C 2.098 178.147 176.000 0.082 0.000 0.980 316 Q CA 2.229 58.085 55.803 0.088 0.000 0.840 316 Q CB -0.708 28.067 28.738 0.062 0.000 0.898 316 Q HN 0.555 nan 8.270 nan 0.000 0.424 317 A N -0.707 122.170 122.820 0.096 0.000 1.933 317 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 317 A C 2.295 179.970 177.584 0.152 0.000 1.175 317 A CA 1.629 53.722 52.037 0.093 0.000 0.628 317 A CB -0.791 18.255 19.000 0.077 0.000 0.814 317 A HN 0.265 nan 8.150 nan 0.000 0.444 318 V N -0.142 119.875 119.914 0.172 0.000 2.358 318 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 318 V C 2.468 178.687 176.094 0.209 0.000 1.047 318 V CA 2.391 64.807 62.300 0.193 0.000 1.035 318 V CB -0.646 31.175 31.823 -0.003 0.000 0.658 318 V HN 0.550 nan 8.190 nan 0.000 0.452 319 K N -0.283 120.177 120.400 0.099 0.000 2.032 319 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 319 K C 2.237 178.896 176.600 0.098 0.000 1.048 319 K CA 2.093 58.426 56.287 0.077 0.000 0.927 319 K CB -0.488 32.035 32.500 0.039 0.000 0.712 319 K HN 0.469 nan 8.250 nan 0.000 0.441 320 T N 1.299 115.904 114.554 0.085 0.000 2.684 320 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 320 T C 1.703 176.427 174.700 0.041 0.000 1.036 320 T CA 1.110 63.241 62.100 0.051 0.000 1.148 320 T CB -0.054 68.833 68.868 0.033 0.000 0.863 320 T HN 0.065 nan 8.240 nan 0.000 0.436 321 I N 0.015 120.632 120.570 0.079 0.000 2.406 321 I HA 0.052 4.222 4.170 -0.000 0.000 0.249 321 I C 1.800 177.799 176.117 -0.197 0.000 1.122 321 I CA 1.191 62.459 61.300 -0.053 0.000 1.431 321 I CB -1.088 36.888 38.000 -0.040 0.000 1.087 321 I HN 0.209 nan 8.210 nan 0.000 0.424 322 F N 0.933 120.870 119.950 -0.022 0.000 2.664 322 F HA 0.258 4.785 4.527 -0.000 0.000 0.296 322 F C 2.130 177.912 175.800 -0.030 0.000 1.125 322 F CA 0.523 58.506 58.000 -0.029 0.000 1.444 322 F CB -0.938 38.041 39.000 -0.036 0.000 1.114 322 F HN 0.187 nan 8.300 nan 0.000 0.576 323 G N 0.812 109.670 108.800 0.097 0.000 2.699 323 G HA2 -0.526 3.434 3.960 -0.000 0.000 0.347 323 G HA3 -0.526 3.434 3.960 -0.000 0.000 0.347 323 G C 1.297 176.225 174.900 0.046 0.000 1.225 323 G CA 1.321 46.448 45.100 0.044 0.000 0.973 323 G HN 0.281 nan 8.290 nan 0.000 0.551 324 E N 0.660 120.876 120.200 0.027 0.000 2.038 324 E HA 0.104 4.454 4.350 -0.000 0.000 0.195 324 E C 2.946 179.569 176.600 0.038 0.000 1.000 324 E CA 2.368 58.782 56.400 0.022 0.000 0.803 324 E CB -0.711 28.995 29.700 0.011 0.000 0.750 324 E HN 0.906 nan 8.360 nan 0.000 0.448 325 A N 0.173 123.035 122.820 0.070 0.000 2.209 325 A HA 0.099 4.419 4.320 -0.000 0.000 0.212 325 A C 2.187 179.839 177.584 0.114 0.000 1.158 325 A CA 1.238 53.336 52.037 0.102 0.000 0.742 325 A CB -0.635 18.453 19.000 0.148 0.000 0.790 325 A HN 0.305 nan 8.150 nan 0.000 0.472 326 A N 0.856 123.747 122.820 0.118 0.000 1.915 326 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 326 A C 2.482 179.998 177.584 -0.113 0.000 1.198 326 A CA 2.667 54.722 52.037 0.031 0.000 0.647 326 A CB -1.088 17.926 19.000 0.024 0.000 0.825 326 A HN 1.067 nan 8.150 nan 0.000 0.456 327 S N -0.982 114.667 115.700 -0.085 0.000 2.461 327 S HA -0.077 4.392 4.470 -0.000 0.000 0.228 327 S C 1.844 176.382 174.600 -0.105 0.000 1.005 327 S CA 1.010 59.136 58.200 -0.123 0.000 0.942 327 S CB -0.270 62.878 63.200 -0.086 0.000 0.776 327 S HN 0.676 nan 8.310 nan 0.000 0.514 328 R N 0.825 121.292 120.500 -0.055 0.000 2.200 328 R HA 0.247 4.586 4.340 -0.000 0.000 0.208 328 R C 0.568 176.850 176.300 -0.030 0.000 1.033 328 R CA 0.239 56.324 56.100 -0.026 0.000 1.000 328 R CB -0.073 30.236 30.300 0.015 0.000 0.906 328 R HN 0.348 nan 8.270 nan 0.000 0.462 329 V N 1.906 121.775 119.914 -0.074 0.000 2.649 329 V HA 0.260 4.380 4.120 -0.000 0.000 0.292 329 V C -0.264 175.741 176.094 -0.149 0.000 1.055 329 V CA -0.536 61.700 62.300 -0.106 0.000 1.023 329 V CB 1.232 32.874 31.823 -0.301 0.000 0.992 329 V HN 0.146 nan 8.190 nan 0.000 0.480 330 L N 6.565 127.767 121.223 -0.034 0.000 2.334 330 L HA 0.566 4.906 4.340 -0.000 0.000 0.277 330 L C -0.625 176.280 176.870 0.059 0.000 1.075 330 L CA -0.557 54.289 54.840 0.010 0.000 0.804 330 L CB 1.613 43.736 42.059 0.108 0.000 1.174 330 L HN 0.380 nan 8.230 nan 0.000 0.438 331 V N 1.742 121.647 119.914 -0.015 0.000 2.588 331 V HA 0.591 4.711 4.120 -0.000 0.000 0.304 331 V C -0.254 175.982 176.094 0.236 0.000 1.042 331 V CA -0.432 61.875 62.300 0.011 0.000 0.877 331 V CB 1.892 33.580 31.823 -0.226 0.000 0.996 331 V HN 0.901 nan 8.190 nan 0.000 0.425 332 S N 2.544 118.494 115.700 0.416 0.000 2.546 332 S HA 0.710 5.180 4.470 -0.000 0.000 0.274 332 S C -0.801 174.076 174.600 0.461 0.000 1.121 332 S CA -0.579 57.907 58.200 0.475 0.000 0.887 332 S CB 2.130 65.574 63.200 0.406 0.000 1.094 332 S HN 0.829 nan 8.310 nan 0.000 0.474 333 S N 1.469 117.426 115.700 0.427 0.000 2.498 333 S HA 0.439 4.909 4.470 -0.000 0.000 0.324 333 S C 1.069 175.738 174.600 0.115 0.000 1.071 333 S CA -0.071 58.245 58.200 0.193 0.000 1.113 333 S CB 0.398 63.554 63.200 -0.072 0.000 0.976 333 S HN 0.990 nan 8.310 nan 0.000 0.462 334 T N 2.663 117.298 114.554 0.136 0.000 3.118 334 T HA 0.087 4.437 4.350 -0.000 0.000 0.260 334 T C 1.267 175.993 174.700 0.043 0.000 1.139 334 T CA 0.395 62.549 62.100 0.090 0.000 1.085 334 T CB -0.227 68.723 68.868 0.137 0.000 0.934 334 T HN 0.655 nan 8.240 nan 0.000 0.518 335 K N 1.954 122.350 120.400 -0.005 0.000 2.362 335 K HA -0.031 4.289 4.320 -0.000 0.000 0.200 335 K C 2.566 179.140 176.600 -0.044 0.000 1.046 335 K CA 1.158 57.415 56.287 -0.049 0.000 0.952 335 K CB -0.223 32.168 32.500 -0.181 0.000 0.753 335 K HN 0.606 nan 8.250 nan 0.000 0.466 336 S N 0.495 116.165 115.700 -0.049 0.000 2.442 336 S HA -0.127 4.343 4.470 -0.000 0.000 0.236 336 S C 1.838 176.426 174.600 -0.020 0.000 1.007 336 S CA 1.084 59.259 58.200 -0.041 0.000 0.965 336 S CB -0.115 63.066 63.200 -0.031 0.000 0.773 336 S HN 0.251 nan 8.310 nan 0.000 0.504 337 M N -0.286 119.305 119.600 -0.015 0.000 2.740 337 M HA 0.171 4.651 4.480 -0.000 0.000 0.253 337 M C 2.157 178.461 176.300 0.007 0.000 1.341 337 M CA 0.771 56.061 55.300 -0.016 0.000 1.176 337 M CB 0.103 32.676 32.600 -0.044 0.000 1.310 337 M HN 0.203 nan 8.290 nan 0.000 0.531 338 T N 0.245 114.814 114.554 0.025 0.000 3.054 338 T HA 0.287 4.637 4.350 -0.000 0.000 0.259 338 T C 0.737 175.483 174.700 0.077 0.000 1.092 338 T CA 1.126 63.261 62.100 0.060 0.000 1.121 338 T CB -0.007 68.922 68.868 0.103 0.000 0.912 338 T HN 0.653 nan 8.240 nan 0.000 0.489 339 G N 0.914 109.756 108.800 0.069 0.000 2.760 339 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.246 339 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.246 339 G C -0.776 174.189 174.900 0.108 0.000 1.359 339 G CA -0.553 44.610 45.100 0.105 0.000 0.861 339 G HN 0.498 nan 8.290 nan 0.000 0.541 340 H N 0.387 119.465 119.070 0.013 0.000 2.690 340 H HA 0.547 5.103 4.556 -0.000 0.000 0.289 340 H C 1.202 176.474 175.328 -0.093 0.000 1.089 340 H CA -1.013 54.966 56.048 -0.114 0.000 1.299 340 H CB 0.775 30.366 29.762 -0.285 0.000 1.405 340 H HN 0.355 nan 8.280 nan 0.000 0.463 341 L N 6.451 127.778 121.223 0.175 0.000 2.650 341 L HA -0.004 4.336 4.340 -0.000 0.000 0.235 341 L C 1.409 178.257 176.870 -0.038 0.000 1.149 341 L CA 0.570 55.445 54.840 0.059 0.000 0.887 341 L CB -0.917 41.182 42.059 0.066 0.000 1.021 341 L HN 0.748 nan 8.230 nan 0.000 0.441 342 L N -1.401 119.698 121.223 -0.206 0.000 5.531 342 L HA -0.414 3.926 4.340 -0.000 0.000 0.053 342 L C 1.860 178.664 176.870 -0.110 0.000 2.831 342 L CA 1.332 55.945 54.840 -0.378 0.000 1.552 342 L CB -1.836 39.988 42.059 -0.392 0.000 2.889 342 L HN 0.268 nan 8.230 nan 0.000 0.964 343 G N -1.221 107.527 108.800 -0.087 0.000 2.559 343 G HA2 0.135 4.095 3.960 -0.000 0.000 0.216 343 G HA3 0.135 4.095 3.960 -0.000 0.000 0.216 343 G C 1.143 176.044 174.900 0.001 0.000 1.126 343 G CA 1.077 46.159 45.100 -0.030 0.000 0.778 343 G HN 0.835 nan 8.290 nan 0.000 0.543 344 A N 0.069 122.893 122.820 0.006 0.000 2.252 344 A HA 0.687 5.007 4.320 -0.000 0.000 0.213 344 A C 2.480 180.060 177.584 -0.007 0.000 1.188 344 A CA 1.190 53.236 52.037 0.014 0.000 0.863 344 A CB -0.106 18.919 19.000 0.043 0.000 0.893 344 A HN 0.452 nan 8.150 nan 0.000 0.495 345 A N 0.167 122.995 122.820 0.014 0.000 1.883 345 A HA 0.052 4.372 4.320 -0.000 0.000 0.217 345 A C 2.290 179.846 177.584 -0.046 0.000 1.186 345 A CA 1.959 54.005 52.037 0.015 0.000 0.624 345 A CB -1.247 17.811 19.000 0.097 0.000 0.822 345 A HN 0.729 nan 8.150 nan 0.000 0.444 346 G N -1.044 107.733 108.800 -0.039 0.000 2.443 346 G HA2 0.102 4.062 3.960 -0.000 0.000 0.219 346 G HA3 0.102 4.062 3.960 -0.000 0.000 0.219 346 G C 1.611 176.461 174.900 -0.083 0.000 1.131 346 G CA 1.326 46.389 45.100 -0.062 0.000 0.775 346 G HN 0.766 nan 8.290 nan 0.000 0.547 347 A N 0.730 123.499 122.820 -0.086 0.000 1.854 347 A HA 0.107 4.427 4.320 -0.000 0.000 0.214 347 A C 2.699 180.152 177.584 -0.218 0.000 1.192 347 A CA 2.243 54.214 52.037 -0.109 0.000 0.611 347 A CB -0.904 18.057 19.000 -0.065 0.000 0.832 347 A HN 0.807 nan 8.150 nan 0.000 0.442 348 V N -1.577 118.182 119.914 -0.258 0.000 2.407 348 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 348 V C 1.833 177.322 176.094 -1.009 0.000 1.055 348 V CA 2.424 64.424 62.300 -0.501 0.000 1.049 348 V CB -1.177 30.454 31.823 -0.319 0.000 0.662 348 V HN 0.600 nan 8.190 nan 0.000 0.455 349 E N 0.890 120.710 120.200 -0.633 0.000 2.204 349 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 349 E C 2.394 178.820 176.600 -0.289 0.000 0.989 349 E CA 1.286 57.403 56.400 -0.472 0.000 0.824 349 E CB -0.178 29.448 29.700 -0.124 0.000 0.756 349 E HN 0.650 nan 8.360 nan 0.000 0.477 350 S N 0.636 116.190 115.700 -0.243 0.000 2.383 350 S HA -0.070 4.400 4.470 -0.000 0.000 0.227 350 S C 1.958 176.282 174.600 -0.460 0.000 1.026 350 S CA 0.602 58.695 58.200 -0.178 0.000 0.981 350 S CB -0.067 63.120 63.200 -0.020 0.000 0.818 350 S HN 0.211 nan 8.310 nan 0.000 0.472 351 I N 0.591 120.879 120.570 -0.470 0.000 2.226 351 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 351 I C 1.985 177.877 176.117 -0.374 0.000 1.100 351 I CA 1.276 62.294 61.300 -0.470 0.000 1.374 351 I CB -0.505 37.260 38.000 -0.392 0.000 1.057 351 I HN 0.289 nan 8.210 nan 0.000 0.413 352 Y N 0.881 121.057 120.300 -0.207 0.000 2.181 352 Y HA -0.174 4.375 4.550 -0.000 0.000 0.288 352 Y C 2.957 178.784 175.900 -0.123 0.000 1.146 352 Y CA 0.678 58.704 58.100 -0.123 0.000 1.164 352 Y CB -1.474 37.121 38.460 0.224 0.000 0.982 352 Y HN 0.115 nan 8.280 nan 0.000 0.515 353 S N -0.016 115.717 115.700 0.055 0.000 2.402 353 S HA -0.109 4.360 4.470 -0.000 0.000 0.229 353 S C 2.092 176.620 174.600 -0.120 0.000 1.021 353 S CA 1.143 59.398 58.200 0.093 0.000 0.974 353 S CB -0.427 62.832 63.200 0.098 0.000 0.800 353 S HN 0.360 nan 8.310 nan 0.000 0.484 354 I N 1.025 121.339 120.570 -0.427 0.000 2.277 354 I HA -0.070 4.100 4.170 -0.000 0.000 0.243 354 I C 1.892 177.801 176.117 -0.347 0.000 1.094 354 I CA 0.866 61.888 61.300 -0.462 0.000 1.393 354 I CB -0.216 37.396 38.000 -0.646 0.000 1.078 354 I HN 0.203 nan 8.210 nan 0.000 0.417 355 L N 0.473 121.364 121.223 -0.553 0.000 2.131 355 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 355 L C 2.788 179.379 176.870 -0.465 0.000 1.092 355 L CA 1.088 55.461 54.840 -0.778 0.000 0.759 355 L CB -0.779 40.233 42.059 -1.744 0.000 0.903 355 L HN 0.244 nan 8.230 nan 0.000 0.435 356 A N 0.248 122.926 122.820 -0.236 0.000 1.940 356 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 356 A C 2.278 179.925 177.584 0.105 0.000 1.176 356 A CA 1.408 53.546 52.037 0.169 0.000 0.631 356 A CB -0.545 18.599 19.000 0.240 0.000 0.814 356 A HN 0.356 nan 8.150 nan 0.000 0.446 357 L N -1.274 119.974 121.223 0.043 0.000 2.005 357 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 357 L C 2.821 179.708 176.870 0.029 0.000 1.072 357 L CA 1.707 56.574 54.840 0.043 0.000 0.744 357 L CB -0.470 41.604 42.059 0.025 0.000 0.895 357 L HN 0.471 nan 8.230 nan 0.000 0.433 358 R N 0.195 120.696 120.500 0.001 0.000 2.083 358 R HA -0.197 4.143 4.340 -0.000 0.000 0.237 358 R C 1.331 177.667 176.300 0.060 0.000 1.137 358 R CA 2.163 58.276 56.100 0.022 0.000 0.951 358 R CB -0.104 30.204 30.300 0.015 0.000 0.851 358 R HN 0.324 nan 8.270 nan 0.000 0.434 359 D N 0.244 120.708 120.400 0.108 0.000 2.350 359 D HA -0.012 4.628 4.640 -0.000 0.000 0.213 359 D C 0.014 176.391 176.300 0.129 0.000 1.031 359 D CA 0.232 54.332 54.000 0.165 0.000 0.861 359 D CB 0.340 41.343 40.800 0.339 0.000 0.926 359 D HN 0.135 nan 8.370 nan 0.000 0.520 360 Q N -0.785 119.079 119.800 0.106 0.000 2.451 360 Q HA -0.191 4.148 4.340 -0.000 0.000 0.305 360 Q C -0.543 175.494 176.000 0.061 0.000 1.345 360 Q CA 0.869 56.716 55.803 0.074 0.000 0.854 360 Q CB -2.049 26.719 28.738 0.050 0.000 1.162 360 Q HN 0.370 nan 8.270 nan 0.000 0.440 361 A N -0.729 122.148 122.820 0.096 0.000 2.455 361 A HA 0.734 5.054 4.320 -0.000 0.000 0.300 361 A C -0.596 176.979 177.584 -0.014 0.000 1.040 361 A CA -0.484 51.569 52.037 0.026 0.000 0.697 361 A CB 2.083 21.098 19.000 0.025 0.000 1.265 361 A HN 0.053 nan 8.150 nan 0.000 0.407 362 V N 4.577 124.388 119.914 -0.172 0.000 2.444 362 V HA 0.500 4.620 4.120 -0.000 0.000 0.294 362 V C -2.219 173.688 176.094 -0.313 0.000 1.022 362 V CA -1.633 60.444 62.300 -0.371 0.000 0.850 362 V CB 1.920 33.434 31.823 -0.514 0.000 0.992 362 V HN 0.850 nan 8.190 nan 0.000 0.426 363 P HA 0.279 nan 4.420 nan 0.000 0.272 363 P C -2.766 174.467 177.300 -0.111 0.000 1.223 363 P CA -1.478 61.472 63.100 -0.250 0.000 0.784 363 P CB 0.523 32.078 31.700 -0.242 0.000 0.923 364 P HA 0.160 nan 4.420 nan 0.000 0.281 364 P C -0.572 176.748 177.300 0.034 0.000 1.264 364 P CA -0.244 62.846 63.100 -0.016 0.000 0.824 364 P CB 0.471 32.154 31.700 -0.028 0.000 1.092 365 T N 2.479 117.076 114.554 0.072 0.000 2.794 365 T HA 0.366 4.716 4.350 -0.000 0.000 0.304 365 T C 0.709 175.405 174.700 -0.007 0.000 0.973 365 T CA -0.329 61.824 62.100 0.089 0.000 0.972 365 T CB -0.801 68.195 68.868 0.214 0.000 0.952 365 T HN 0.273 nan 8.240 nan 0.000 0.509 366 I N 0.779 121.344 120.570 -0.008 0.000 3.079 366 I HA 0.356 4.526 4.170 -0.000 0.000 0.295 366 I C 0.493 176.606 176.117 -0.006 0.000 1.094 366 I CA -0.595 60.707 61.300 0.003 0.000 1.295 366 I CB 0.387 38.398 38.000 0.019 0.000 1.443 366 I HN 0.449 nan 8.210 nan 0.000 0.607 367 N N 0.433 119.168 118.700 0.058 0.000 2.909 367 N HA -0.178 4.562 4.740 -0.000 0.000 0.242 367 N C 0.027 175.556 175.510 0.031 0.000 0.975 367 N CA 0.812 53.896 53.050 0.057 0.000 0.921 367 N CB -1.147 37.346 38.487 0.009 0.000 1.112 367 N HN 0.634 nan 8.380 nan 0.000 0.581 368 L N 2.504 123.678 121.223 -0.082 0.000 2.533 368 L HA 0.141 4.481 4.340 -0.000 0.000 0.239 368 L C 0.987 177.859 176.870 0.003 0.000 1.376 368 L CA 0.607 55.392 54.840 -0.093 0.000 1.240 368 L CB -0.436 41.520 42.059 -0.172 0.000 1.487 368 L HN 0.011 nan 8.230 nan 0.000 0.419 369 D N 0.702 121.185 120.400 0.138 0.000 2.097 369 D HA -0.050 4.590 4.640 -0.000 0.000 0.197 369 D C 0.180 176.559 176.300 0.131 0.000 0.984 369 D CA 1.229 55.347 54.000 0.196 0.000 0.826 369 D CB 0.333 41.210 40.800 0.128 0.000 0.973 369 D HN 0.445 nan 8.370 nan 0.000 0.460 370 N N 1.206 119.957 118.700 0.085 0.000 2.727 370 N HA 0.227 4.967 4.740 -0.000 0.000 0.252 370 N C -2.776 172.774 175.510 0.067 0.000 1.283 370 N CA -0.981 52.111 53.050 0.071 0.000 0.782 370 N CB 2.280 40.799 38.487 0.054 0.000 1.199 370 N HN -0.045 nan 8.380 nan 0.000 0.520 371 P HA -0.002 nan 4.420 nan 0.000 0.268 371 P C -0.064 177.291 177.300 0.091 0.000 1.208 371 P CA 0.136 63.291 63.100 0.091 0.000 0.777 371 P CB 0.713 32.487 31.700 0.123 0.000 0.875 372 D N 1.932 122.394 120.400 0.103 0.000 2.478 372 D HA -0.065 4.575 4.640 -0.000 0.000 0.234 372 D C 1.397 177.753 176.300 0.093 0.000 1.154 372 D CA 0.347 54.406 54.000 0.098 0.000 0.874 372 D CB 0.394 41.270 40.800 0.126 0.000 1.198 372 D HN 0.350 nan 8.370 nan 0.000 0.455 373 E N 1.548 121.792 120.200 0.073 0.000 1.937 373 E HA -0.134 4.216 4.350 -0.000 0.000 0.210 373 E C 1.989 178.627 176.600 0.062 0.000 0.961 373 E CA 1.177 57.614 56.400 0.061 0.000 0.883 373 E CB -0.936 28.793 29.700 0.047 0.000 0.819 373 E HN 0.650 nan 8.360 nan 0.000 0.560 374 G N 0.696 109.529 108.800 0.054 0.000 2.773 374 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.208 374 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.208 374 G C 0.432 175.361 174.900 0.048 0.000 1.154 374 G CA 0.397 45.524 45.100 0.045 0.000 0.769 374 G HN 0.184 nan 8.290 nan 0.000 0.555 375 C N 0.190 119.532 119.300 0.071 0.000 2.576 375 C HA 0.249 4.708 4.460 -0.000 0.000 0.401 375 C C 1.522 176.517 174.990 0.009 0.000 1.314 375 C CA -0.060 59.005 59.018 0.078 0.000 1.855 375 C CB 0.715 28.575 27.740 0.200 0.000 2.537 375 C HN 0.651 nan 8.230 nan 0.000 0.578 376 D N 2.068 122.433 120.400 -0.058 0.000 2.389 376 D HA 0.107 4.747 4.640 -0.000 0.000 0.206 376 D C 0.503 176.678 176.300 -0.207 0.000 1.055 376 D CA 0.167 54.109 54.000 -0.096 0.000 0.856 376 D CB 0.127 40.885 40.800 -0.070 0.000 0.957 376 D HN 0.592 nan 8.370 nan 0.000 0.509 377 L N 0.738 121.734 121.223 -0.380 0.000 2.467 377 L HA 0.199 4.539 4.340 -0.000 0.000 0.270 377 L C 0.350 176.757 176.870 -0.772 0.000 1.205 377 L CA -0.290 54.135 54.840 -0.692 0.000 0.828 377 L CB 0.360 41.734 42.059 -1.142 0.000 1.101 377 L HN 0.004 nan 8.230 nan 0.000 0.479 378 D N 1.156 121.178 120.400 -0.629 0.000 2.456 378 D HA 0.158 4.798 4.640 -0.000 0.000 0.219 378 D C 0.112 176.134 176.300 -0.464 0.000 1.126 378 D CA -0.242 53.510 54.000 -0.413 0.000 0.890 378 D CB 0.420 41.084 40.800 -0.226 0.000 1.025 378 D HN 0.225 nan 8.370 nan 0.000 0.511 379 F N 2.197 122.021 119.950 -0.211 0.000 2.693 379 F HA 0.054 4.581 4.527 -0.000 0.000 0.303 379 F C 1.319 177.076 175.800 -0.072 0.000 1.143 379 F CA -0.367 57.497 58.000 -0.226 0.000 1.389 379 F CB -0.244 38.573 39.000 -0.305 0.000 1.060 379 F HN 0.134 nan 8.300 nan 0.000 0.535 380 V N 0.455 120.404 119.914 0.058 0.000 5.691 380 V HA -0.229 3.890 4.120 -0.000 0.000 0.288 380 V C -2.153 173.960 176.094 0.031 0.000 0.615 380 V CA -0.578 61.746 62.300 0.039 0.000 0.619 380 V CB -2.045 29.803 31.823 0.041 0.000 0.296 380 V HN 0.148 nan 8.190 nan 0.000 0.834 381 P HA 0.130 nan 4.420 nan 0.000 0.268 381 P C 1.066 178.286 177.300 -0.132 0.000 1.205 381 P CA 0.956 63.946 63.100 -0.183 0.000 0.771 381 P CB 0.723 32.266 31.700 -0.263 0.000 0.858 382 H N -1.319 117.771 119.070 0.033 0.000 4.905 382 H HA -0.155 4.401 4.556 -0.000 0.000 0.065 382 H C 0.117 175.433 175.328 -0.020 0.000 0.584 382 H CA 1.753 57.803 56.048 0.004 0.000 0.984 382 H CB -1.312 28.451 29.762 0.003 0.000 0.446 382 H HN 0.524 nan 8.280 nan 0.000 0.786 383 E N 1.218 121.477 120.200 0.098 0.000 2.256 383 E HA 0.710 5.059 4.350 -0.000 0.000 0.267 383 E C 0.127 176.709 176.600 -0.031 0.000 0.892 383 E CA 0.009 56.419 56.400 0.017 0.000 0.775 383 E CB 2.385 32.095 29.700 0.017 0.000 1.207 383 E HN 0.467 nan 8.360 nan 0.000 0.420 384 A N 2.240 125.012 122.820 -0.080 0.000 2.492 384 A HA 0.263 4.583 4.320 -0.000 0.000 0.236 384 A C 0.314 177.842 177.584 -0.092 0.000 1.078 384 A CA 0.240 52.203 52.037 -0.123 0.000 0.773 384 A CB 0.239 19.128 19.000 -0.185 0.000 1.023 384 A HN 0.458 nan 8.150 nan 0.000 0.504 385 R N -0.182 120.255 120.500 -0.105 0.000 2.621 385 R HA 0.466 4.806 4.340 -0.000 0.000 0.292 385 R C -0.610 175.647 176.300 -0.070 0.000 0.969 385 R CA -0.498 55.557 56.100 -0.074 0.000 0.887 385 R CB 1.348 31.608 30.300 -0.066 0.000 1.180 385 R HN 0.809 nan 8.270 nan 0.000 0.450 386 Q N 2.970 122.743 119.800 -0.045 0.000 2.288 386 Q HA 0.458 4.798 4.340 -0.000 0.000 0.254 386 Q C -0.931 175.059 176.000 -0.016 0.000 0.932 386 Q CA -0.407 55.379 55.803 -0.028 0.000 0.902 386 Q CB 1.326 30.052 28.738 -0.019 0.000 1.203 386 Q HN 0.473 nan 8.270 nan 0.000 0.415 387 V N 0.588 120.500 119.914 -0.003 0.000 3.113 387 V HA 0.752 4.872 4.120 -0.000 0.000 0.316 387 V C 0.097 176.203 176.094 0.021 0.000 1.125 387 V CA -0.015 62.291 62.300 0.011 0.000 1.026 387 V CB 1.448 33.283 31.823 0.022 0.000 1.080 387 V HN 0.847 nan 8.190 nan 0.000 0.444 388 S N 1.332 117.048 115.700 0.026 0.000 2.612 388 S HA 0.368 4.838 4.470 -0.000 0.000 0.193 388 S C 1.246 175.865 174.600 0.031 0.000 0.898 388 S CA 0.623 58.839 58.200 0.026 0.000 0.872 388 S CB -0.152 63.061 63.200 0.021 0.000 0.843 388 S HN 1.634 nan 8.310 nan 0.000 0.611 389 G N 1.995 110.817 108.800 0.037 0.000 4.699 389 G HA2 0.452 4.412 3.960 -0.000 0.000 0.308 389 G HA3 0.452 4.412 3.960 -0.000 0.000 0.308 389 G C -0.385 174.545 174.900 0.052 0.000 1.399 389 G CA -0.441 44.681 45.100 0.037 0.000 1.221 389 G HN 0.477 nan 8.290 nan 0.000 0.596 390 M N 0.521 120.155 119.600 0.058 0.000 2.184 390 M HA 0.304 4.784 4.480 -0.000 0.000 0.351 390 M C 0.741 177.070 176.300 0.049 0.000 1.395 390 M CA 0.110 55.461 55.300 0.085 0.000 1.117 390 M CB 0.884 33.546 32.600 0.103 0.000 1.708 390 M HN 0.226 nan 8.290 nan 0.000 0.468 391 E N 3.781 124.004 120.200 0.038 0.000 2.447 391 E HA 0.088 4.438 4.350 -0.000 0.000 0.204 391 E C -1.102 175.292 176.600 -0.342 0.000 0.977 391 E CA 0.269 56.567 56.400 -0.169 0.000 0.950 391 E CB 0.740 30.276 29.700 -0.273 0.000 0.975 391 E HN 0.692 nan 8.360 nan 0.000 0.496 392 Y N -0.077 120.287 120.300 0.108 0.000 2.457 392 Y HA 0.245 4.795 4.550 -0.000 0.000 0.343 392 Y C 0.085 176.084 175.900 0.164 0.000 0.994 392 Y CA -0.959 57.215 58.100 0.124 0.000 1.031 392 Y CB 1.984 40.501 38.460 0.095 0.000 1.246 392 Y HN -0.215 nan 8.280 nan 0.000 0.449 393 T N 0.796 115.556 114.554 0.344 0.000 2.916 393 T HA 0.799 5.148 4.350 -0.000 0.000 0.292 393 T C -1.434 173.416 174.700 0.250 0.000 1.055 393 T CA -0.876 61.403 62.100 0.297 0.000 1.009 393 T CB 2.069 71.135 68.868 0.330 0.000 1.118 393 T HN 0.647 nan 8.240 nan 0.000 0.497 394 L N 1.061 122.364 121.223 0.134 0.000 2.385 394 L HA 0.745 5.085 4.340 -0.000 0.000 0.273 394 L C -1.141 175.752 176.870 0.039 0.000 0.990 394 L CA -0.738 54.164 54.840 0.104 0.000 0.821 394 L CB 1.666 43.799 42.059 0.123 0.000 1.279 394 L HN 1.101 nan 8.230 nan 0.000 0.412 395 C N 4.874 124.222 119.300 0.079 0.000 2.319 395 C HA 0.611 5.071 4.460 -0.000 0.000 0.323 395 C C -0.485 174.509 174.990 0.006 0.000 1.277 395 C CA -0.628 58.416 59.018 0.044 0.000 1.517 395 C CB 0.447 28.266 27.740 0.132 0.000 2.206 395 C HN 0.833 nan 8.230 nan 0.000 0.486 396 N N 2.675 121.338 118.700 -0.061 0.000 2.456 396 N HA 0.593 5.333 4.740 -0.000 0.000 0.296 396 N C -0.999 174.281 175.510 -0.382 0.000 1.102 396 N CA 0.035 52.971 53.050 -0.189 0.000 0.924 396 N CB 1.923 40.249 38.487 -0.268 0.000 1.186 396 N HN 0.703 nan 8.380 nan 0.000 0.492 397 S N 1.131 116.516 115.700 -0.525 0.000 2.649 397 S HA 0.617 5.087 4.470 -0.000 0.000 0.274 397 S C -1.664 172.584 174.600 -0.587 0.000 1.176 397 S CA -0.542 57.349 58.200 -0.514 0.000 0.988 397 S CB 0.044 63.125 63.200 -0.200 0.000 1.071 397 S HN 0.287 nan 8.310 nan 0.000 0.478 398 F N 1.353 120.807 119.950 -0.826 0.000 2.579 398 F HA 0.906 5.433 4.527 0.000 0.000 0.324 398 F C 0.876 176.442 175.800 -0.390 0.000 1.058 398 F CA -1.097 56.562 58.000 -0.568 0.000 0.944 398 F CB 1.691 40.392 39.000 -0.499 0.000 1.245 398 F HN 0.618 nan 8.300 nan 0.000 0.477 399 G N 0.141 109.004 108.800 0.105 0.000 2.672 399 G HA2 0.560 4.520 3.960 -0.000 0.000 0.292 399 G HA3 0.560 4.520 3.960 -0.000 0.000 0.292 399 G C -1.611 173.481 174.900 0.321 0.000 1.375 399 G CA -0.712 44.477 45.100 0.148 0.000 0.890 399 G HN 0.214 nan 8.290 nan 0.000 0.476 400 F N 0.529 120.563 119.950 0.140 0.000 2.628 400 F HA 0.364 4.891 4.527 0.000 0.000 0.362 400 F C 1.734 177.599 175.800 0.109 0.000 1.148 400 F CA 1.256 59.342 58.000 0.143 0.000 1.352 400 F CB 0.921 40.008 39.000 0.146 0.000 1.081 400 F HN 1.178 nan 8.300 nan 0.000 0.605 401 G N 0.950 109.894 108.800 0.240 0.000 2.175 401 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.244 401 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.244 401 G C 0.958 175.937 174.900 0.132 0.000 0.982 401 G CA 0.404 45.588 45.100 0.140 0.000 0.641 401 G HN 1.912 nan 8.290 nan 0.000 0.527 402 G N -1.195 107.705 108.800 0.168 0.000 2.160 402 G HA2 0.042 4.002 3.960 -0.000 0.000 0.251 402 G HA3 0.042 4.002 3.960 -0.000 0.000 0.251 402 G C 0.466 175.432 174.900 0.110 0.000 1.008 402 G CA 1.499 46.678 45.100 0.133 0.000 0.724 402 G HN 2.014 nan 8.290 nan 0.000 0.514 403 T N 0.687 115.329 114.554 0.147 0.000 2.771 403 T HA 0.562 4.912 4.350 -0.000 0.000 0.291 403 T C 0.090 174.890 174.700 0.167 0.000 0.954 403 T CA -0.424 61.778 62.100 0.169 0.000 1.045 403 T CB 0.307 69.314 68.868 0.231 0.000 0.917 403 T HN 0.313 nan 8.240 nan 0.000 0.484 404 N N 2.755 121.552 118.700 0.162 0.000 2.292 404 N HA 0.709 5.449 4.740 -0.000 0.000 0.303 404 N C -0.472 175.148 175.510 0.183 0.000 1.140 404 N CA -0.644 52.523 53.050 0.196 0.000 0.788 404 N CB 2.213 40.737 38.487 0.062 0.000 1.361 404 N HN 0.821 nan 8.380 nan 0.000 0.489 405 G N -0.648 108.261 108.800 0.181 0.000 2.733 405 G HA2 0.563 4.523 3.960 -0.000 0.000 0.297 405 G HA3 0.563 4.523 3.960 -0.000 0.000 0.297 405 G C -1.477 173.521 174.900 0.164 0.000 1.422 405 G CA -0.319 44.869 45.100 0.145 0.000 0.942 405 G HN 0.361 nan 8.290 nan 0.000 0.510 406 S N -0.027 115.785 115.700 0.187 0.000 2.547 406 S HA 0.695 5.165 4.470 -0.000 0.000 0.281 406 S C -0.693 174.002 174.600 0.158 0.000 1.118 406 S CA -0.534 57.752 58.200 0.143 0.000 0.947 406 S CB 1.548 64.827 63.200 0.131 0.000 1.053 406 S HN 0.545 nan 8.310 nan 0.000 0.482 407 L N 2.936 124.188 121.223 0.048 0.000 2.362 407 L HA 0.661 5.001 4.340 -0.000 0.000 0.271 407 L C -1.079 175.666 176.870 -0.209 0.000 1.002 407 L CA -0.739 54.027 54.840 -0.123 0.000 0.818 407 L CB 1.616 43.515 42.059 -0.265 0.000 1.298 407 L HN 0.536 nan 8.230 nan 0.000 0.420 408 I N 1.967 122.343 120.570 -0.323 0.000 2.418 408 I HA 0.377 4.547 4.170 -0.000 0.000 0.287 408 I C -1.012 174.893 176.117 -0.354 0.000 1.008 408 I CA -0.306 60.883 61.300 -0.184 0.000 1.104 408 I CB 1.702 39.687 38.000 -0.025 0.000 1.264 408 I HN 0.286 nan 8.210 nan 0.000 0.438 409 F N 5.154 125.167 119.950 0.105 0.000 2.458 409 F HA 0.548 5.075 4.527 -0.000 0.000 0.330 409 F C 0.240 176.089 175.800 0.083 0.000 1.082 409 F CA -0.665 57.376 58.000 0.068 0.000 0.995 409 F CB 1.540 40.557 39.000 0.028 0.000 1.170 409 F HN 0.263 nan 8.300 nan 0.000 0.478 410 K N 2.465 122.967 120.400 0.170 0.000 2.378 410 K HA 0.318 4.638 4.320 -0.000 0.000 0.252 410 K C -0.836 175.711 176.600 -0.088 0.000 0.931 410 K CA -0.909 55.323 56.287 -0.092 0.000 0.794 410 K CB 1.665 34.078 32.500 -0.144 0.000 1.181 410 K HN 0.656 nan 8.250 nan 0.000 0.425 411 K N 4.275 124.575 120.400 -0.166 0.000 2.412 411 K HA 0.058 4.378 4.320 -0.000 0.000 0.281 411 K C -0.263 176.281 176.600 -0.094 0.000 1.027 411 K CA 0.009 56.242 56.287 -0.090 0.000 0.989 411 K CB 0.106 32.554 32.500 -0.086 0.000 0.935 411 K HN 0.596 nan 8.250 nan 0.000 0.475 412 I N 0.000 120.540 120.570 -0.050 0.000 2.984 412 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 412 I CA 0.000 61.272 61.300 -0.047 0.000 1.566 412 I CB 0.000 37.982 38.000 -0.030 0.000 1.214 412 I HN 0.000 nan 8.210 nan 0.000 0.494