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 2fuv_1_A DATA FIRST_RESID 2 DATA SEQUENCE AIHNRAGQPA QQSDLINVAQ LTAQYYVLKP EAGNAEHAVK FGTSGHRGSA DATA SEQUENCE GRHSFNEPHI LAIAQAIAEE RAKNGITGPC YVGKDTHALS EPAFISVLEV DATA SEQUENCE LAANGVDVIV QENNGFTPTP AVSNAILVHN KKGGPLADGI VITPSHNPPE DATA SEQUENCE DGGIKYNPPN GGPADTNVTK VVEDRANALL AGGLQGVKRI SLDAAXASGH DATA SEQUENCE VKAVDLVQPF VEGLADIVDX AAIQKAGLTL GVDPLGGSGI EYWKRIAEHY DATA SEQUENCE KLNLTLVNDQ VDQTFRFXHL DKDGAIRXDC SSECAXAGLL ALRDKFDLAF DATA SEQUENCE ANDPDYDRHG IVTPAGLXNP NHYLAVAINY LFQHRPLWGK DVAVGKTLVS DATA SEQUENCE SAXIDRVVND LGRKLVEVPV GFKWFVDGLF DGSFGFGGEE SAGASFLRFD DATA SEQUENCE GTPWSTDKDG IIXCLLAAEI TAVTGKNPQE HYNELAARFG APSYNRLQAS DATA SEQUENCE ATSAQKAALS KLSPEXVSAS TLAGDPITAR LTAAPGNGAS IGGLKVXTDN DATA SEQUENCE GWFAARPSGT EDAYKIYCES FLGEEHRKQI EKEAVEIVSE VLKNA 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.591 177.584 0.011 0.000 1.274 2 A CA 0.000 52.041 52.037 0.006 0.000 0.836 2 A CB 0.000 19.005 19.000 0.008 0.000 0.831 3 I N 1.257 121.844 120.570 0.027 0.000 3.565 3 I HA 0.123 4.293 4.170 0.000 0.000 0.287 3 I C 1.052 177.192 176.117 0.039 0.000 1.193 3 I CA 0.830 62.145 61.300 0.024 0.000 1.402 3 I CB -0.945 37.069 38.000 0.023 0.000 1.284 3 I HN 0.780 nan 8.210 nan 0.000 0.454 4 H N 2.419 121.476 119.070 -0.020 0.000 2.582 4 H HA 0.174 4.730 4.556 0.000 0.000 0.345 4 H C 0.481 175.801 175.328 -0.014 0.000 1.104 4 H CA 0.396 56.434 56.048 -0.018 0.000 1.390 4 H CB 1.128 30.877 29.762 -0.021 0.000 1.461 4 H HN 0.135 nan 8.280 nan 0.000 0.551 5 N N 2.355 120.933 118.700 -0.204 0.000 2.348 5 N HA -0.103 4.637 4.740 0.000 0.000 0.185 5 N C 0.734 176.299 175.510 0.092 0.000 1.019 5 N CA 0.779 53.791 53.050 -0.063 0.000 0.880 5 N CB 0.294 38.699 38.487 -0.137 0.000 0.965 5 N HN 0.478 nan 8.380 nan 0.000 0.437 6 R N 0.299 121.005 120.500 0.344 0.000 2.546 6 R HA 0.308 4.649 4.340 0.000 0.000 0.320 6 R C -0.334 176.052 176.300 0.143 0.000 1.021 6 R CA -0.364 55.875 56.100 0.232 0.000 1.088 6 R CB 0.766 31.197 30.300 0.218 0.000 1.278 6 R HN 0.034 nan 8.270 nan 0.000 0.557 7 A N 0.599 123.508 122.820 0.150 0.000 2.540 7 A HA 0.363 4.683 4.320 0.000 0.000 0.239 7 A C 1.384 179.000 177.584 0.054 0.000 1.061 7 A CA 1.094 53.170 52.037 0.064 0.000 0.758 7 A CB -0.197 18.838 19.000 0.060 0.000 0.991 7 A HN 0.571 nan 8.150 nan 0.000 0.502 8 G N 1.190 110.019 108.800 0.049 0.000 2.234 8 G HA2 -0.246 3.714 3.960 0.000 0.000 0.260 8 G HA3 -0.246 3.714 3.960 0.000 0.000 0.260 8 G C 0.229 175.241 174.900 0.185 0.000 0.987 8 G CA 0.691 45.835 45.100 0.074 0.000 0.625 8 G HN 1.022 nan 8.290 nan 0.000 0.532 9 Q N 1.502 121.386 119.800 0.139 0.000 2.227 9 Q HA 0.471 4.811 4.340 0.000 0.000 0.245 9 Q C -2.401 173.589 176.000 -0.017 0.000 0.926 9 Q CA -2.082 53.795 55.803 0.124 0.000 0.895 9 Q CB 1.401 30.171 28.738 0.053 0.000 1.230 9 Q HN 0.226 nan 8.270 nan 0.000 0.450 10 P HA -0.094 nan 4.420 nan 0.000 0.265 10 P C -0.830 176.360 177.300 -0.182 0.000 1.187 10 P CA 0.307 63.175 63.100 -0.387 0.000 0.766 10 P CB 0.337 31.852 31.700 -0.308 0.000 0.820 11 A N 4.044 126.757 122.820 -0.178 0.000 2.531 11 A HA 0.070 4.390 4.320 0.000 0.000 0.236 11 A C 0.622 178.156 177.584 -0.084 0.000 1.062 11 A CA 0.159 52.123 52.037 -0.121 0.000 0.760 11 A CB -0.233 18.691 19.000 -0.128 0.000 0.995 11 A HN 0.483 nan 8.150 nan 0.000 0.501 12 Q N 0.331 120.096 119.800 -0.058 0.000 2.193 12 Q HA 0.173 4.513 4.340 0.000 0.000 0.246 12 Q C 0.836 176.818 176.000 -0.029 0.000 0.959 12 Q CA -0.731 55.051 55.803 -0.036 0.000 0.904 12 Q CB 1.180 29.906 28.738 -0.019 0.000 1.238 12 Q HN 0.894 nan 8.270 nan 0.000 0.469 13 Q N 1.138 120.927 119.800 -0.018 0.000 2.173 13 Q HA -0.186 4.154 4.340 0.000 0.000 0.208 13 Q C 1.578 177.573 176.000 -0.008 0.000 0.989 13 Q CA 2.514 58.310 55.803 -0.011 0.000 0.872 13 Q CB -0.231 28.505 28.738 -0.004 0.000 0.909 13 Q HN 0.726 nan 8.270 nan 0.000 0.420 14 S N -0.917 114.779 115.700 -0.007 0.000 2.481 14 S HA -0.075 4.395 4.470 0.000 0.000 0.231 14 S C 1.057 175.652 174.600 -0.008 0.000 0.996 14 S CA 0.918 59.117 58.200 -0.002 0.000 0.942 14 S CB -0.124 63.079 63.200 0.005 0.000 0.768 14 S HN 0.381 nan 8.310 nan 0.000 0.520 15 D N 1.342 121.729 120.400 -0.022 0.000 2.363 15 D HA 0.192 4.832 4.640 0.000 0.000 0.220 15 D C 0.437 176.718 176.300 -0.031 0.000 0.994 15 D CA 0.296 54.273 54.000 -0.038 0.000 0.890 15 D CB 0.024 40.785 40.800 -0.066 0.000 0.906 15 D HN 0.458 nan 8.370 nan 0.000 0.530 16 L N 1.457 122.670 121.223 -0.017 0.000 2.357 16 L HA 0.369 4.709 4.340 0.000 0.000 0.273 16 L C 0.860 177.735 176.870 0.007 0.000 1.080 16 L CA -1.084 53.752 54.840 -0.006 0.000 0.803 16 L CB 1.349 43.406 42.059 -0.004 0.000 1.174 16 L HN -0.120 nan 8.230 nan 0.000 0.443 17 I N -0.993 119.589 120.570 0.020 0.000 2.882 17 I HA 0.186 4.356 4.170 0.000 0.000 0.286 17 I C 0.304 176.440 176.117 0.031 0.000 1.139 17 I CA -0.247 61.071 61.300 0.030 0.000 1.379 17 I CB 0.401 38.428 38.000 0.045 0.000 1.410 17 I HN 0.553 nan 8.210 nan 0.000 0.594 18 N N 3.718 122.438 118.700 0.034 0.000 2.469 18 N HA 0.155 4.895 4.740 0.000 0.000 0.239 18 N C 0.631 176.170 175.510 0.048 0.000 1.053 18 N CA -0.229 52.843 53.050 0.036 0.000 0.937 18 N CB 1.431 39.939 38.487 0.035 0.000 1.163 18 N HN 0.665 nan 8.380 nan 0.000 0.509 19 V N 3.826 123.769 119.914 0.048 0.000 2.295 19 V HA -0.230 3.890 4.120 0.000 0.000 0.246 19 V C 2.368 178.503 176.094 0.069 0.000 1.049 19 V CA 2.263 64.599 62.300 0.060 0.000 1.024 19 V CB -0.930 30.924 31.823 0.051 0.000 0.648 19 V HN 0.744 nan 8.190 nan 0.000 0.447 20 A N -0.901 121.955 122.820 0.061 0.000 1.902 20 A HA -0.298 4.022 4.320 0.000 0.000 0.217 20 A C 2.278 179.910 177.584 0.080 0.000 1.181 20 A CA 2.103 54.181 52.037 0.068 0.000 0.623 20 A CB -0.544 18.488 19.000 0.053 0.000 0.818 20 A HN 0.597 nan 8.150 nan 0.000 0.443 21 Q N -0.878 118.963 119.800 0.068 0.000 2.050 21 Q HA -0.181 4.159 4.340 0.000 0.000 0.202 21 Q C 2.060 178.111 176.000 0.086 0.000 0.980 21 Q CA 1.712 57.557 55.803 0.070 0.000 0.840 21 Q CB -0.247 28.523 28.738 0.053 0.000 0.898 21 Q HN 0.559 nan 8.270 nan 0.000 0.424 22 L N 0.595 121.867 121.223 0.082 0.000 2.012 22 L HA -0.180 4.160 4.340 0.000 0.000 0.210 22 L C 2.155 179.107 176.870 0.136 0.000 1.073 22 L CA 2.328 57.224 54.840 0.093 0.000 0.748 22 L CB -0.849 41.261 42.059 0.085 0.000 0.891 22 L HN 0.190 nan 8.230 nan 0.000 0.431 23 T N -0.156 114.483 114.554 0.141 0.000 2.788 23 T HA -0.125 4.225 4.350 0.000 0.000 0.268 23 T C 1.928 176.802 174.700 0.290 0.000 1.044 23 T CA 1.199 63.407 62.100 0.181 0.000 1.139 23 T CB -0.587 68.374 68.868 0.155 0.000 0.867 23 T HN 0.537 nan 8.240 nan 0.000 0.454 24 A N 1.577 124.541 122.820 0.241 0.000 1.902 24 A HA -0.191 4.129 4.320 0.000 0.000 0.217 24 A C 2.281 180.028 177.584 0.272 0.000 1.181 24 A CA 1.564 53.766 52.037 0.275 0.000 0.623 24 A CB -0.715 18.378 19.000 0.155 0.000 0.818 24 A HN 0.536 nan 8.150 nan 0.000 0.443 25 Q N -2.104 117.802 119.800 0.176 0.000 2.234 25 Q HA -0.219 4.121 4.340 0.000 0.000 0.206 25 Q C 1.848 177.910 176.000 0.102 0.000 0.980 25 Q CA 1.655 57.520 55.803 0.103 0.000 0.869 25 Q CB -0.376 28.386 28.738 0.040 0.000 0.912 25 Q HN 0.876 nan 8.270 nan 0.000 0.436 26 Y N -0.476 119.814 120.300 -0.017 0.000 2.207 26 Y HA -0.314 4.236 4.550 0.000 0.000 0.287 26 Y C 1.152 176.882 175.900 -0.283 0.000 1.156 26 Y CA 1.652 59.651 58.100 -0.167 0.000 1.182 26 Y CB 0.039 38.334 38.460 -0.275 0.000 0.979 26 Y HN 0.117 nan 8.280 nan 0.000 0.521 27 Y N -1.813 118.627 120.300 0.233 0.000 2.479 27 Y HA 0.016 4.566 4.550 0.000 0.000 0.283 27 Y C 2.317 178.240 175.900 0.038 0.000 1.109 27 Y CA 0.959 59.132 58.100 0.123 0.000 1.239 27 Y CB -0.191 38.367 38.460 0.164 0.000 1.108 27 Y HN 0.075 nan 8.280 nan 0.000 0.548 28 V N -2.507 117.516 119.914 0.183 0.000 3.471 28 V HA 0.246 4.366 4.120 0.000 0.000 0.258 28 V C 0.342 176.472 176.094 0.059 0.000 1.192 28 V CA 0.118 62.485 62.300 0.111 0.000 1.116 28 V CB -0.433 31.454 31.823 0.106 0.000 0.792 28 V HN 0.054 nan 8.190 nan 0.000 0.459 29 L N 1.524 122.759 121.223 0.021 0.000 2.331 29 L HA 0.685 5.025 4.340 0.000 0.000 0.275 29 L C -0.257 176.615 176.870 0.002 0.000 1.022 29 L CA -0.673 54.172 54.840 0.007 0.000 0.812 29 L CB 1.808 43.779 42.059 -0.147 0.000 1.257 29 L HN 0.042 nan 8.230 nan 0.000 0.435 30 K N 2.029 122.489 120.400 0.100 0.000 2.328 30 K HA 0.538 4.858 4.320 0.000 0.000 0.246 30 K C -2.636 174.012 176.600 0.081 0.000 0.955 30 K CA -2.040 54.264 56.287 0.028 0.000 0.817 30 K CB 1.983 34.483 32.500 -0.001 0.000 1.208 30 K HN 0.224 nan 8.250 nan 0.000 0.432 31 P HA 0.028 nan 4.420 nan 0.000 0.271 31 P C -0.468 176.918 177.300 0.145 0.000 1.216 31 P CA -0.046 63.084 63.100 0.050 0.000 0.776 31 P CB 0.598 32.274 31.700 -0.039 0.000 0.881 32 E N 2.139 122.598 120.200 0.432 0.000 2.257 32 E HA 0.315 4.665 4.350 0.000 0.000 0.278 32 E C -0.169 176.476 176.600 0.074 0.000 1.049 32 E CA -0.708 55.799 56.400 0.178 0.000 0.876 32 E CB 0.420 30.188 29.700 0.113 0.000 1.035 32 E HN 0.468 nan 8.360 nan 0.000 0.419 33 A N 3.635 126.467 122.820 0.019 0.000 2.548 33 A HA 0.338 4.659 4.320 0.000 0.000 0.247 33 A C 1.262 178.835 177.584 -0.018 0.000 1.067 33 A CA 0.724 52.758 52.037 -0.006 0.000 0.757 33 A CB -0.403 18.587 19.000 -0.016 0.000 0.996 33 A HN 1.071 nan 8.150 nan 0.000 0.504 34 G N 1.823 110.611 108.800 -0.019 0.000 2.179 34 G HA2 -0.265 3.696 3.960 0.000 0.000 0.260 34 G HA3 -0.265 3.696 3.960 0.000 0.000 0.260 34 G C 0.297 175.167 174.900 -0.050 0.000 0.977 34 G CA 0.366 45.450 45.100 -0.028 0.000 0.641 34 G HN 1.111 nan 8.290 nan 0.000 0.533 35 N N 0.933 119.585 118.700 -0.080 0.000 2.420 35 N HA 0.601 5.341 4.740 0.000 0.000 0.249 35 N C 1.418 176.855 175.510 -0.121 0.000 1.033 35 N CA 0.604 53.549 53.050 -0.175 0.000 0.944 35 N CB 1.004 39.240 38.487 -0.418 0.000 1.113 35 N HN 0.454 nan 8.380 nan 0.000 0.502 36 A N 4.022 126.800 122.820 -0.071 0.000 1.972 36 A HA -0.117 4.203 4.320 0.000 0.000 0.219 36 A C 1.670 179.273 177.584 0.032 0.000 1.169 36 A CA 1.231 53.266 52.037 -0.003 0.000 0.635 36 A CB -0.289 18.712 19.000 0.003 0.000 0.810 36 A HN 0.828 nan 8.150 nan 0.000 0.446 37 E N -1.015 119.171 120.200 -0.023 0.000 2.268 37 E HA -0.163 4.187 4.350 0.000 0.000 0.195 37 E C 1.054 177.809 176.600 0.258 0.000 0.995 37 E CA 1.005 57.447 56.400 0.070 0.000 0.836 37 E CB -0.235 29.483 29.700 0.031 0.000 0.763 37 E HN 0.882 nan 8.360 nan 0.000 0.491 38 H N -0.605 118.543 119.070 0.130 0.000 2.551 38 H HA 0.325 4.881 4.556 0.000 0.000 0.271 38 H C 0.498 176.002 175.328 0.293 0.000 0.984 38 H CA -0.620 55.558 56.048 0.216 0.000 1.164 38 H CB 0.599 30.465 29.762 0.173 0.000 1.437 38 H HN 0.016 nan 8.280 nan 0.000 0.550 39 A N 1.299 124.302 122.820 0.304 0.000 2.332 39 A HA 0.304 4.624 4.320 0.000 0.000 0.258 39 A C 0.322 178.061 177.584 0.259 0.000 1.087 39 A CA -0.459 51.711 52.037 0.223 0.000 0.802 39 A CB 0.475 19.554 19.000 0.132 0.000 1.042 39 A HN 0.090 nan 8.150 nan 0.000 0.489 40 V N 1.679 121.684 119.914 0.152 0.000 2.529 40 V HA 0.090 4.210 4.120 0.000 0.000 0.292 40 V C 0.276 176.522 176.094 0.254 0.000 1.028 40 V CA 0.697 63.041 62.300 0.073 0.000 1.074 40 V CB 0.238 32.029 31.823 -0.054 0.000 0.958 40 V HN 0.772 nan 8.190 nan 0.000 0.481 41 K N 5.997 126.687 120.400 0.484 0.000 2.527 41 K HA 0.389 4.709 4.320 0.000 0.000 0.240 41 K C -1.036 175.783 176.600 0.366 0.000 0.989 41 K CA -0.247 56.233 56.287 0.321 0.000 0.985 41 K CB 1.273 33.896 32.500 0.204 0.000 1.221 41 K HN 0.549 nan 8.250 nan 0.000 0.458 42 F N 2.354 122.396 119.950 0.154 0.000 2.325 42 F HA 0.515 5.042 4.527 0.000 0.000 0.369 42 F C 0.280 176.132 175.800 0.087 0.000 1.095 42 F CA -0.208 57.874 58.000 0.138 0.000 1.082 42 F CB 0.701 39.764 39.000 0.105 0.000 1.289 42 F HN 0.546 nan 8.300 nan 0.000 0.462 43 G N 1.819 110.503 108.800 -0.193 0.000 3.252 43 G HA2 0.203 4.163 3.960 0.000 0.000 0.181 43 G HA3 0.203 4.163 3.960 0.000 0.000 0.181 43 G C 0.722 175.493 174.900 -0.215 0.000 1.187 43 G CA 0.130 45.153 45.100 -0.128 0.000 0.886 43 G HN 0.463 nan 8.290 nan 0.000 0.615 44 T N -1.295 113.185 114.554 -0.123 0.000 2.778 44 T HA -0.153 4.197 4.350 0.000 0.000 0.269 44 T C 1.778 176.391 174.700 -0.145 0.000 1.050 44 T CA 2.268 64.299 62.100 -0.115 0.000 1.137 44 T CB -0.417 68.414 68.868 -0.061 0.000 0.860 44 T HN 1.069 nan 8.240 nan 0.000 0.468 45 S N 0.223 115.826 115.700 -0.162 0.000 2.624 45 S HA 0.624 5.094 4.470 0.000 0.000 0.246 45 S C 1.047 175.515 174.600 -0.220 0.000 1.072 45 S CA -0.078 58.023 58.200 -0.165 0.000 1.045 45 S CB -0.298 62.828 63.200 -0.123 0.000 0.851 45 S HN 1.243 nan 8.310 nan 0.000 0.480 46 G N 1.679 110.226 108.800 -0.421 0.000 2.562 46 G HA2 -0.235 3.725 3.960 0.000 0.000 0.250 46 G HA3 -0.235 3.725 3.960 0.000 0.000 0.250 46 G C -0.482 174.277 174.900 -0.236 0.000 1.269 46 G CA 0.094 44.799 45.100 -0.658 0.000 0.919 46 G HN 1.105 nan 8.290 nan 0.000 0.574 47 H N 0.892 119.983 119.070 0.035 0.000 2.459 47 H HA 0.791 5.347 4.556 0.000 0.000 0.332 47 H C 0.450 175.886 175.328 0.179 0.000 1.094 47 H CA -0.625 55.531 56.048 0.181 0.000 1.224 47 H CB 0.756 30.719 29.762 0.336 0.000 1.449 47 H HN 0.652 nan 8.280 nan 0.000 0.484 48 R N 3.327 123.528 120.500 -0.499 0.000 2.807 48 R HA 0.690 5.030 4.340 0.000 0.000 0.276 48 R C -0.754 175.276 176.300 -0.449 0.000 0.979 48 R CA -0.567 55.317 56.100 -0.361 0.000 0.928 48 R CB 2.339 32.486 30.300 -0.255 0.000 1.191 48 R HN 0.890 nan 8.270 nan 0.000 0.471 49 G N -0.280 108.373 108.800 -0.246 0.000 2.348 49 G HA2 0.318 4.278 3.960 0.000 0.000 0.296 49 G HA3 0.318 4.278 3.960 0.000 0.000 0.296 49 G C -1.683 173.176 174.900 -0.068 0.000 1.258 49 G CA -0.374 44.666 45.100 -0.101 0.000 0.868 49 G HN 0.423 nan 8.290 nan 0.000 0.488 50 S N -1.443 114.279 115.700 0.036 0.000 2.548 50 S HA 0.613 5.083 4.470 0.000 0.000 0.276 50 S C 1.137 175.794 174.600 0.095 0.000 1.129 50 S CA 0.776 59.003 58.200 0.044 0.000 0.931 50 S CB 1.432 64.629 63.200 -0.005 0.000 1.068 50 S HN 1.914 nan 8.310 nan 0.000 0.480 51 A N 3.605 126.514 122.820 0.148 0.000 1.978 51 A HA 0.075 4.395 4.320 0.000 0.000 0.220 51 A C 1.923 179.458 177.584 -0.082 0.000 1.170 51 A CA 2.076 54.167 52.037 0.090 0.000 0.636 51 A CB -1.195 17.915 19.000 0.183 0.000 0.810 51 A HN 1.132 nan 8.150 nan 0.000 0.448 52 G N -1.221 107.545 108.800 -0.057 0.000 2.650 52 G HA2 -0.032 3.928 3.960 0.000 0.000 0.214 52 G HA3 -0.032 3.928 3.960 0.000 0.000 0.214 52 G C 1.435 176.251 174.900 -0.141 0.000 1.136 52 G CA 0.298 45.331 45.100 -0.112 0.000 0.789 52 G HN 0.562 nan 8.290 nan 0.000 0.536 53 R N -0.305 120.153 120.500 -0.070 0.000 2.427 53 R HA 0.169 4.509 4.340 0.000 0.000 0.262 53 R C 0.124 176.455 176.300 0.052 0.000 0.943 53 R CA -0.313 55.820 56.100 0.054 0.000 1.081 53 R CB -0.062 30.291 30.300 0.087 0.000 1.166 53 R HN 0.446 nan 8.270 nan 0.000 0.534 54 H N -0.549 118.449 119.070 -0.120 0.000 2.958 54 H HA -0.129 4.427 4.556 0.000 0.000 0.274 54 H C 0.402 175.666 175.328 -0.107 0.000 1.184 54 H CA 1.180 57.075 56.048 -0.254 0.000 1.143 54 H CB -1.659 27.643 29.762 -0.768 0.000 1.297 54 H HN 0.398 nan 8.280 nan 0.000 0.356 55 S N -1.012 114.726 115.700 0.062 0.000 2.629 55 S HA 0.328 4.798 4.470 0.000 0.000 0.236 55 S C -0.072 174.433 174.600 -0.157 0.000 1.010 55 S CA -0.418 57.784 58.200 0.003 0.000 0.981 55 S CB 0.524 63.783 63.200 0.099 0.000 0.919 55 S HN 0.278 nan 8.310 nan 0.000 0.514 56 F N 2.015 121.841 119.950 -0.207 0.000 3.282 56 F HA 0.510 5.038 4.527 0.000 0.000 0.398 56 F C -1.145 174.664 175.800 0.015 0.000 1.205 56 F CA -0.431 57.511 58.000 -0.097 0.000 1.273 56 F CB 0.366 39.376 39.000 0.016 0.000 2.153 56 F HN 0.026 nan 8.300 nan 0.000 0.680 57 N N 1.626 120.243 118.700 -0.138 0.000 2.697 57 N HA 0.252 4.992 4.740 0.000 0.000 0.272 57 N C 0.608 175.453 175.510 -1.108 0.000 1.381 57 N CA -0.843 51.839 53.050 -0.614 0.000 0.797 57 N CB 1.224 39.562 38.487 -0.249 0.000 1.523 57 N HN 0.451 nan 8.380 nan 0.000 0.518 58 E N 0.365 119.629 120.200 -1.560 0.000 2.086 58 E HA -0.163 4.187 4.350 0.000 0.000 0.200 58 E C -0.995 175.324 176.600 -0.469 0.000 1.012 58 E CA 1.864 57.679 56.400 -0.974 0.000 0.812 58 E CB -0.585 28.814 29.700 -0.502 0.000 0.743 58 E HN 0.411 nan 8.360 nan 0.000 0.453 59 P HA -0.183 nan 4.420 nan 0.000 0.216 59 P C 0.756 177.835 177.300 -0.369 0.000 1.153 59 P CA 1.474 64.362 63.100 -0.355 0.000 0.858 59 P CB -0.156 31.312 31.700 -0.386 0.000 0.789 60 H N -1.242 117.623 119.070 -0.340 0.000 2.387 60 H HA -0.067 4.489 4.556 0.000 0.000 0.299 60 H C 1.791 176.917 175.328 -0.336 0.000 1.090 60 H CA 1.036 56.867 56.048 -0.361 0.000 1.332 60 H CB -0.455 29.029 29.762 -0.464 0.000 1.386 60 H HN 0.121 nan 8.280 nan 0.000 0.516 61 I N 0.901 121.349 120.570 -0.203 0.000 2.400 61 I HA -0.140 4.030 4.170 0.000 0.000 0.248 61 I C 2.696 178.752 176.117 -0.102 0.000 1.109 61 I CA 0.515 61.730 61.300 -0.142 0.000 1.425 61 I CB -1.091 36.862 38.000 -0.078 0.000 1.094 61 I HN 0.143 nan 8.210 nan 0.000 0.425 62 L N 1.122 122.280 121.223 -0.108 0.000 2.013 62 L HA -0.238 4.102 4.340 0.000 0.000 0.212 62 L C 2.847 179.645 176.870 -0.120 0.000 1.073 62 L CA 1.751 56.534 54.840 -0.095 0.000 0.753 62 L CB -0.825 41.179 42.059 -0.092 0.000 0.890 62 L HN 0.208 nan 8.230 nan 0.000 0.432 63 A N 0.130 122.861 122.820 -0.148 0.000 1.877 63 A HA -0.168 4.152 4.320 0.000 0.000 0.216 63 A C 2.216 179.692 177.584 -0.179 0.000 1.186 63 A CA 1.613 53.555 52.037 -0.158 0.000 0.620 63 A CB -0.647 18.251 19.000 -0.171 0.000 0.822 63 A HN 0.363 nan 8.150 nan 0.000 0.443 64 I N -0.369 120.086 120.570 -0.192 0.000 2.252 64 I HA -0.245 3.925 4.170 0.000 0.000 0.245 64 I C 2.962 178.945 176.117 -0.223 0.000 1.102 64 I CA 1.015 62.165 61.300 -0.249 0.000 1.385 64 I CB -0.323 37.551 38.000 -0.210 0.000 1.064 64 I HN 0.354 nan 8.210 nan 0.000 0.414 65 A N 0.104 122.836 122.820 -0.146 0.000 1.933 65 A HA -0.277 4.043 4.320 0.000 0.000 0.218 65 A C 2.229 179.726 177.584 -0.145 0.000 1.175 65 A CA 1.849 53.812 52.037 -0.122 0.000 0.628 65 A CB -0.580 18.373 19.000 -0.078 0.000 0.814 65 A HN 0.403 nan 8.150 nan 0.000 0.444 66 Q N 0.018 119.734 119.800 -0.141 0.000 2.050 66 Q HA -0.039 4.301 4.340 0.000 0.000 0.202 66 Q C 2.061 177.965 176.000 -0.161 0.000 0.980 66 Q CA 2.265 57.987 55.803 -0.135 0.000 0.840 66 Q CB -0.671 27.997 28.738 -0.118 0.000 0.898 66 Q HN 0.540 nan 8.270 nan 0.000 0.424 67 A N 0.104 122.807 122.820 -0.194 0.000 1.940 67 A HA -0.153 4.167 4.320 0.000 0.000 0.219 67 A C 2.152 179.577 177.584 -0.264 0.000 1.176 67 A CA 1.590 53.493 52.037 -0.223 0.000 0.631 67 A CB -0.730 18.109 19.000 -0.268 0.000 0.814 67 A HN 0.491 nan 8.150 nan 0.000 0.446 68 I N -0.585 119.798 120.570 -0.311 0.000 2.286 68 I HA -0.212 3.958 4.170 0.000 0.000 0.245 68 I C 2.985 178.922 176.117 -0.300 0.000 1.104 68 I CA 0.848 61.905 61.300 -0.406 0.000 1.397 68 I CB -0.372 37.367 38.000 -0.435 0.000 1.072 68 I HN 0.355 nan 8.210 nan 0.000 0.417 69 A N 0.759 123.455 122.820 -0.207 0.000 1.883 69 A HA -0.265 4.055 4.320 0.000 0.000 0.217 69 A C 2.186 179.689 177.584 -0.135 0.000 1.186 69 A CA 1.981 53.927 52.037 -0.152 0.000 0.624 69 A CB -0.664 18.258 19.000 -0.130 0.000 0.822 69 A HN 0.449 nan 8.150 nan 0.000 0.444 70 E N -0.712 119.406 120.200 -0.137 0.000 2.031 70 E HA -0.185 4.165 4.350 0.000 0.000 0.193 70 E C 2.148 178.684 176.600 -0.107 0.000 0.994 70 E CA 1.190 57.523 56.400 -0.111 0.000 0.800 70 E CB -0.147 29.489 29.700 -0.107 0.000 0.752 70 E HN 0.485 nan 8.360 nan 0.000 0.447 71 E N 0.653 120.770 120.200 -0.138 0.000 2.051 71 E HA -0.205 4.146 4.350 0.000 0.000 0.192 71 E C 2.125 178.674 176.600 -0.085 0.000 0.991 71 E CA 1.159 57.489 56.400 -0.117 0.000 0.799 71 E CB -0.305 29.300 29.700 -0.158 0.000 0.748 71 E HN 0.330 nan 8.360 nan 0.000 0.449 72 R N 0.826 121.258 120.500 -0.112 0.000 2.091 72 R HA -0.045 4.295 4.340 0.000 0.000 0.238 72 R C 2.195 178.483 176.300 -0.021 0.000 1.136 72 R CA 1.672 57.753 56.100 -0.032 0.000 0.959 72 R CB -0.525 29.762 30.300 -0.022 0.000 0.856 72 R HN 0.068 nan 8.270 nan 0.000 0.437 73 A N 1.694 124.487 122.820 -0.045 0.000 1.902 73 A HA -0.125 4.195 4.320 0.000 0.000 0.217 73 A C 2.082 179.650 177.584 -0.026 0.000 1.181 73 A CA 1.628 53.644 52.037 -0.035 0.000 0.623 73 A CB -0.374 18.597 19.000 -0.048 0.000 0.818 73 A HN 0.423 nan 8.150 nan 0.000 0.443 74 K N -0.134 120.247 120.400 -0.033 0.000 2.103 74 K HA -0.119 4.201 4.320 0.000 0.000 0.207 74 K C 0.851 177.444 176.600 -0.012 0.000 1.048 74 K CA 1.391 57.663 56.287 -0.025 0.000 0.930 74 K CB -0.162 32.319 32.500 -0.031 0.000 0.716 74 K HN 0.354 nan 8.250 nan 0.000 0.444 75 N N -0.161 118.536 118.700 -0.005 0.000 2.383 75 N HA 0.017 4.757 4.740 0.000 0.000 0.192 75 N C 0.419 175.937 175.510 0.012 0.000 1.141 75 N CA 0.832 53.887 53.050 0.009 0.000 0.851 75 N CB 0.991 39.493 38.487 0.026 0.000 0.976 75 N HN 0.356 nan 8.380 nan 0.000 0.465 76 G N 1.057 109.861 108.800 0.007 0.000 2.176 76 G HA2 -0.272 3.688 3.960 0.000 0.000 0.252 76 G HA3 -0.272 3.688 3.960 0.000 0.000 0.252 76 G C -0.054 174.857 174.900 0.019 0.000 1.024 76 G CA -0.212 44.894 45.100 0.011 0.000 0.755 76 G HN 0.360 nan 8.290 nan 0.000 0.507 77 I N 1.676 122.258 120.570 0.021 0.000 2.287 77 I HA 0.351 4.521 4.170 0.000 0.000 0.290 77 I C 1.444 177.572 176.117 0.017 0.000 1.069 77 I CA 0.283 61.602 61.300 0.031 0.000 1.237 77 I CB 1.244 39.277 38.000 0.055 0.000 1.418 77 I HN 0.242 nan 8.210 nan 0.000 0.481 78 T N 0.487 115.053 114.554 0.020 0.000 3.040 78 T HA 0.249 4.599 4.350 0.000 0.000 0.266 78 T C 0.854 175.561 174.700 0.011 0.000 1.005 78 T CA -0.149 61.957 62.100 0.010 0.000 0.906 78 T CB 0.357 69.234 68.868 0.015 0.000 1.082 78 T HN 0.512 nan 8.240 nan 0.000 0.531 79 G N 2.685 111.497 108.800 0.019 0.000 2.535 79 G HA2 0.582 4.542 3.960 0.000 0.000 0.282 79 G HA3 0.582 4.542 3.960 0.000 0.000 0.282 79 G C -2.534 172.319 174.900 -0.079 0.000 1.350 79 G CA -1.478 43.622 45.100 0.001 0.000 1.039 79 G HN 0.243 nan 8.290 nan 0.000 0.509 80 P HA 0.230 nan 4.420 nan 0.000 0.274 80 P C -0.814 176.353 177.300 -0.222 0.000 1.246 80 P CA -0.306 62.647 63.100 -0.244 0.000 0.795 80 P CB 1.310 32.761 31.700 -0.415 0.000 1.006 81 C N 3.231 122.423 119.300 -0.179 0.000 2.301 81 C HA 0.446 4.906 4.460 0.000 0.000 0.323 81 C C -0.479 174.456 174.990 -0.091 0.000 1.265 81 C CA -0.604 58.380 59.018 -0.055 0.000 1.503 81 C CB -1.556 26.190 27.740 0.011 0.000 2.195 81 C HN 0.423 nan 8.230 nan 0.000 0.477 82 Y N 4.721 125.022 120.300 0.002 0.000 2.486 82 Y HA 0.375 4.925 4.550 0.000 0.000 0.348 82 Y C 0.553 176.495 175.900 0.070 0.000 1.000 82 Y CA 0.207 58.322 58.100 0.024 0.000 1.253 82 Y CB 0.736 39.195 38.460 -0.002 0.000 1.140 82 Y HN 0.467 nan 8.280 nan 0.000 0.526 83 V N 4.429 124.476 119.914 0.223 0.000 2.293 83 V HA 0.553 4.674 4.120 0.000 0.000 0.275 83 V C 0.471 176.741 176.094 0.293 0.000 1.021 83 V CA -0.729 61.727 62.300 0.260 0.000 0.815 83 V CB 0.947 32.923 31.823 0.255 0.000 1.025 83 V HN 0.897 nan 8.190 nan 0.000 0.448 84 G N 4.366 113.284 108.800 0.196 0.000 2.417 84 G HA2 0.765 4.725 3.960 0.000 0.000 0.334 84 G HA3 0.765 4.725 3.960 0.000 0.000 0.334 84 G C -0.752 174.195 174.900 0.078 0.000 1.150 84 G CA -0.716 44.440 45.100 0.093 0.000 0.923 84 G HN 0.718 nan 8.290 nan 0.000 0.485 85 K N 0.160 120.552 120.400 -0.013 0.000 2.435 85 K HA 0.585 4.905 4.320 0.000 0.000 0.251 85 K C -1.236 175.465 176.600 0.169 0.000 0.954 85 K CA -0.942 55.380 56.287 0.057 0.000 0.820 85 K CB 2.493 34.964 32.500 -0.047 0.000 1.292 85 K HN 0.518 nan 8.250 nan 0.000 0.436 86 D N -0.026 120.490 120.400 0.193 0.000 2.529 86 D HA 0.033 4.674 4.640 0.000 0.000 0.273 86 D C 0.549 176.938 176.300 0.147 0.000 1.197 86 D CA -0.422 53.684 54.000 0.176 0.000 1.070 86 D CB 0.754 41.651 40.800 0.161 0.000 1.134 86 D HN 0.640 nan 8.370 nan 0.000 0.590 87 T N -3.832 110.636 114.554 -0.143 0.000 3.219 87 T HA 0.101 4.451 4.350 0.000 0.000 0.249 87 T C 0.317 175.005 174.700 -0.020 0.000 1.099 87 T CA -0.156 61.697 62.100 -0.413 0.000 0.988 87 T CB -1.069 67.438 68.868 -0.603 0.000 0.999 87 T HN 0.344 nan 8.240 nan 0.000 0.550 88 H N 0.680 119.840 119.070 0.150 0.000 2.815 88 H HA 0.545 5.101 4.556 0.000 0.000 0.350 88 H C 1.693 177.096 175.328 0.125 0.000 1.080 88 H CA 0.410 56.568 56.048 0.183 0.000 1.433 88 H CB 0.886 30.683 29.762 0.058 0.000 1.432 88 H HN 0.227 nan 8.280 nan 0.000 0.592 89 A N 3.641 126.605 122.820 0.239 0.000 1.884 89 A HA -0.206 4.114 4.320 0.000 0.000 0.219 89 A C 2.104 179.773 177.584 0.140 0.000 1.197 89 A CA 1.662 53.793 52.037 0.157 0.000 0.637 89 A CB -0.801 18.279 19.000 0.132 0.000 0.827 89 A HN 0.736 nan 8.150 nan 0.000 0.450 90 L N 0.186 121.487 121.223 0.129 0.000 2.549 90 L HA -0.089 4.251 4.340 0.000 0.000 0.229 90 L C 2.370 179.349 176.870 0.181 0.000 1.158 90 L CA 0.769 55.684 54.840 0.125 0.000 0.842 90 L CB -0.278 41.850 42.059 0.115 0.000 0.952 90 L HN 0.316 nan 8.230 nan 0.000 0.452 91 S N -0.580 115.226 115.700 0.177 0.000 2.423 91 S HA -0.103 4.367 4.470 0.000 0.000 0.231 91 S C 1.759 176.486 174.600 0.211 0.000 1.014 91 S CA 0.743 59.075 58.200 0.220 0.000 0.965 91 S CB -0.032 63.297 63.200 0.216 0.000 0.785 91 S HN 0.432 nan 8.310 nan 0.000 0.495 92 E N 1.330 121.625 120.200 0.157 0.000 2.015 92 E HA -0.054 4.296 4.350 0.000 0.000 0.191 92 E C -0.561 176.108 176.600 0.115 0.000 0.991 92 E CA 1.132 57.623 56.400 0.152 0.000 0.802 92 E CB -1.828 27.947 29.700 0.124 0.000 0.759 92 E HN 0.405 nan 8.360 nan 0.000 0.447 93 P HA -0.101 nan 4.420 nan 0.000 0.216 93 P C 1.325 178.464 177.300 -0.269 0.000 1.153 93 P CA 1.843 64.745 63.100 -0.329 0.000 0.848 93 P CB -0.059 30.951 31.700 -1.150 0.000 0.787 94 A N -0.345 122.401 122.820 -0.123 0.000 1.902 94 A HA -0.201 4.119 4.320 0.000 0.000 0.217 94 A C 2.170 179.881 177.584 0.213 0.000 1.181 94 A CA 1.432 53.569 52.037 0.166 0.000 0.623 94 A CB -1.862 17.365 19.000 0.379 0.000 0.818 94 A HN 0.114 nan 8.150 nan 0.000 0.443 95 F N 0.786 120.787 119.950 0.084 0.000 2.065 95 F HA -0.222 4.305 4.527 0.000 0.000 0.298 95 F C 1.992 177.827 175.800 0.059 0.000 1.112 95 F CA 1.866 59.911 58.000 0.075 0.000 1.212 95 F CB -0.448 38.591 39.000 0.065 0.000 0.975 95 F HN 0.197 nan 8.300 nan 0.000 0.476 96 I N -0.441 120.147 120.570 0.031 0.000 2.163 96 I HA -0.380 3.790 4.170 0.000 0.000 0.243 96 I C 2.476 178.565 176.117 -0.046 0.000 1.085 96 I CA 1.667 62.928 61.300 -0.065 0.000 1.347 96 I CB -0.777 37.267 38.000 0.073 0.000 1.044 96 I HN 0.097 nan 8.210 nan 0.000 0.408 97 S N 0.222 115.951 115.700 0.048 0.000 2.370 97 S HA -0.153 4.317 4.470 0.000 0.000 0.226 97 S C 2.091 176.682 174.600 -0.014 0.000 1.033 97 S CA 1.330 59.566 58.200 0.060 0.000 1.011 97 S CB -0.365 62.915 63.200 0.134 0.000 0.852 97 S HN 0.244 nan 8.310 nan 0.000 0.457 98 V N 2.163 122.055 119.914 -0.035 0.000 2.343 98 V HA -0.147 3.973 4.120 0.000 0.000 0.247 98 V C 2.149 178.162 176.094 -0.134 0.000 1.051 98 V CA 1.469 63.730 62.300 -0.066 0.000 1.036 98 V CB -0.736 31.075 31.823 -0.020 0.000 0.654 98 V HN 0.432 nan 8.190 nan 0.000 0.451 99 L N -0.527 120.555 121.223 -0.235 0.000 2.056 99 L HA -0.176 4.165 4.340 0.000 0.000 0.207 99 L C 2.558 179.353 176.870 -0.126 0.000 1.078 99 L CA 1.645 56.348 54.840 -0.230 0.000 0.749 99 L CB -0.747 41.105 42.059 -0.345 0.000 0.901 99 L HN 0.361 nan 8.230 nan 0.000 0.433 100 E N -0.084 120.059 120.200 -0.094 0.000 2.070 100 E HA -0.227 4.123 4.350 0.000 0.000 0.197 100 E C 2.234 178.803 176.600 -0.052 0.000 1.004 100 E CA 1.726 58.096 56.400 -0.051 0.000 0.805 100 E CB -0.120 29.569 29.700 -0.020 0.000 0.744 100 E HN 0.278 nan 8.360 nan 0.000 0.451 101 V N 1.195 121.073 119.914 -0.061 0.000 2.346 101 V HA -0.201 3.919 4.120 0.000 0.000 0.244 101 V C 2.301 178.343 176.094 -0.087 0.000 1.037 101 V CA 1.221 63.480 62.300 -0.068 0.000 1.029 101 V CB -0.406 31.374 31.823 -0.071 0.000 0.663 101 V HN 0.250 nan 8.190 nan 0.000 0.454 102 L N 0.352 121.517 121.223 -0.097 0.000 2.017 102 L HA -0.154 4.186 4.340 0.000 0.000 0.208 102 L C 2.802 179.584 176.870 -0.146 0.000 1.073 102 L CA 1.675 56.444 54.840 -0.118 0.000 0.745 102 L CB -0.932 41.061 42.059 -0.109 0.000 0.894 102 L HN 0.370 nan 8.230 nan 0.000 0.432 103 A N 0.229 122.986 122.820 -0.106 0.000 1.940 103 A HA -0.195 4.125 4.320 0.000 0.000 0.219 103 A C 2.517 180.064 177.584 -0.062 0.000 1.176 103 A CA 1.832 53.829 52.037 -0.067 0.000 0.631 103 A CB -0.663 18.350 19.000 0.022 0.000 0.814 103 A HN 0.423 nan 8.150 nan 0.000 0.446 104 A N -0.187 122.600 122.820 -0.056 0.000 1.969 104 A HA -0.134 4.186 4.320 0.000 0.000 0.218 104 A C 1.747 179.289 177.584 -0.071 0.000 1.169 104 A CA 1.376 53.388 52.037 -0.042 0.000 0.635 104 A CB -0.499 18.477 19.000 -0.041 0.000 0.810 104 A HN 0.599 nan 8.150 nan 0.000 0.445 105 N N -0.588 118.045 118.700 -0.112 0.000 2.398 105 N HA 0.093 4.833 4.740 0.000 0.000 0.188 105 N C 0.976 176.377 175.510 -0.182 0.000 1.122 105 N CA 0.818 53.794 53.050 -0.124 0.000 0.866 105 N CB 0.235 38.650 38.487 -0.121 0.000 0.970 105 N HN 0.607 nan 8.380 nan 0.000 0.462 106 G N 0.819 109.441 108.800 -0.297 0.000 2.160 106 G HA2 -0.257 3.703 3.960 0.000 0.000 0.251 106 G HA3 -0.257 3.703 3.960 0.000 0.000 0.251 106 G C 0.041 174.558 174.900 -0.637 0.000 1.008 106 G CA -0.023 44.749 45.100 -0.546 0.000 0.724 106 G HN 0.175 nan 8.290 nan 0.000 0.514 107 V N 1.185 120.803 119.914 -0.494 0.000 2.530 107 V HA 0.294 4.414 4.120 0.000 0.000 0.282 107 V C 0.305 176.220 176.094 -0.297 0.000 1.048 107 V CA -0.644 61.472 62.300 -0.306 0.000 0.997 107 V CB 1.399 33.113 31.823 -0.183 0.000 0.987 107 V HN 0.291 nan 8.190 nan 0.000 0.477 108 D N 3.824 124.141 120.400 -0.138 0.000 2.348 108 D HA 0.343 4.983 4.640 0.000 0.000 0.253 108 D C -0.306 175.944 176.300 -0.083 0.000 1.161 108 D CA 0.147 54.132 54.000 -0.025 0.000 0.876 108 D CB 1.734 42.542 40.800 0.012 0.000 1.160 108 D HN 0.235 nan 8.370 nan 0.000 0.459 109 V N 3.607 123.482 119.914 -0.065 0.000 2.555 109 V HA 0.472 4.592 4.120 0.000 0.000 0.302 109 V C 0.364 176.391 176.094 -0.112 0.000 1.038 109 V CA -0.806 61.439 62.300 -0.093 0.000 0.887 109 V CB 1.901 33.684 31.823 -0.065 0.000 0.991 109 V HN 0.348 nan 8.190 nan 0.000 0.434 110 I N 4.795 125.255 120.570 -0.182 0.000 2.406 110 I HA 0.679 4.849 4.170 0.000 0.000 0.290 110 I C -0.397 175.723 176.117 0.005 0.000 0.999 110 I CA -0.760 60.443 61.300 -0.162 0.000 1.124 110 I CB 1.993 39.731 38.000 -0.437 0.000 1.289 110 I HN 0.553 nan 8.210 nan 0.000 0.441 111 V N 2.286 122.249 119.914 0.081 0.000 3.102 111 V HA 0.586 4.706 4.120 0.000 0.000 0.312 111 V C -0.604 175.555 176.094 0.108 0.000 1.135 111 V CA -0.982 61.421 62.300 0.171 0.000 1.022 111 V CB 1.742 33.757 31.823 0.320 0.000 1.056 111 V HN 0.729 nan 8.190 nan 0.000 0.436 112 Q N 1.992 121.828 119.800 0.061 0.000 2.304 112 Q HA 0.281 4.621 4.340 0.000 0.000 0.260 112 Q C 0.304 176.289 176.000 -0.025 0.000 0.965 112 Q CA 0.232 56.036 55.803 0.001 0.000 0.898 112 Q CB 0.721 29.428 28.738 -0.052 0.000 1.196 112 Q HN 0.955 nan 8.270 nan 0.000 0.402 113 E N 3.432 123.621 120.200 -0.019 0.000 2.425 113 E HA -0.041 4.310 4.350 0.000 0.000 0.258 113 E C -0.466 176.098 176.600 -0.061 0.000 1.151 113 E CA -0.142 56.245 56.400 -0.022 0.000 0.958 113 E CB 0.246 29.936 29.700 -0.016 0.000 0.968 113 E HN 0.722 nan 8.360 nan 0.000 0.451 114 N N 1.108 119.778 118.700 -0.050 0.000 2.725 114 N HA -0.280 4.460 4.740 0.000 0.000 0.249 114 N C -0.456 174.975 175.510 -0.133 0.000 1.103 114 N CA 1.297 54.305 53.050 -0.069 0.000 0.707 114 N CB -1.849 36.600 38.487 -0.062 0.000 1.043 114 N HN 0.892 nan 8.380 nan 0.000 0.553 115 N N -1.684 116.928 118.700 -0.148 0.000 2.708 115 N HA -0.184 4.556 4.740 0.000 0.000 0.249 115 N C 0.605 175.773 175.510 -0.571 0.000 1.097 115 N CA 1.302 54.182 53.050 -0.283 0.000 0.710 115 N CB -0.864 37.506 38.487 -0.195 0.000 1.032 115 N HN 0.668 nan 8.380 nan 0.000 0.551 116 G N -1.186 107.328 108.800 -0.477 0.000 2.588 116 G HA2 0.471 4.431 3.960 0.000 0.000 0.278 116 G HA3 0.471 4.431 3.960 0.000 0.000 0.278 116 G C -0.232 174.204 174.900 -0.775 0.000 1.307 116 G CA -0.461 44.278 45.100 -0.602 0.000 1.016 116 G HN 0.162 nan 8.290 nan 0.000 0.503 117 F N -1.409 118.490 119.950 -0.086 0.000 2.470 117 F HA 0.590 5.117 4.527 0.000 0.000 0.329 117 F C 0.550 176.308 175.800 -0.069 0.000 1.072 117 F CA -0.565 57.374 58.000 -0.101 0.000 0.989 117 F CB 2.546 41.488 39.000 -0.097 0.000 1.193 117 F HN 0.191 nan 8.300 nan 0.000 0.481 118 T N 2.700 117.290 114.554 0.060 0.000 2.949 118 T HA 0.348 4.698 4.350 0.000 0.000 0.300 118 T C -2.837 171.745 174.700 -0.196 0.000 0.988 118 T CA -1.473 60.587 62.100 -0.067 0.000 0.993 118 T CB 1.744 70.599 68.868 -0.021 0.000 0.984 118 T HN 0.105 nan 8.240 nan 0.000 0.442 119 P HA 0.122 nan 4.420 nan 0.000 0.267 119 P C 1.095 178.245 177.300 -0.250 0.000 1.200 119 P CA 0.042 62.906 63.100 -0.394 0.000 0.772 119 P CB 0.433 31.728 31.700 -0.676 0.000 0.855 120 T N 4.209 118.682 114.554 -0.134 0.000 2.624 120 T HA -0.124 4.226 4.350 0.000 0.000 0.268 120 T C -0.715 173.914 174.700 -0.119 0.000 1.041 120 T CA 2.295 64.335 62.100 -0.100 0.000 1.159 120 T CB -1.686 67.136 68.868 -0.076 0.000 0.863 120 T HN 0.594 nan 8.240 nan 0.000 0.434 121 P HA 0.080 nan 4.420 nan 0.000 0.223 121 P C 1.220 178.488 177.300 -0.054 0.000 1.151 121 P CA 1.052 64.129 63.100 -0.040 0.000 0.787 121 P CB -0.115 31.644 31.700 0.098 0.000 0.788 122 A N 0.098 122.751 122.820 -0.279 0.000 1.930 122 A HA -0.069 4.251 4.320 0.000 0.000 0.217 122 A C 2.399 179.880 177.584 -0.171 0.000 1.175 122 A CA 1.415 53.270 52.037 -0.303 0.000 0.627 122 A CB -1.482 17.193 19.000 -0.541 0.000 0.815 122 A HN 0.065 nan 8.150 nan 0.000 0.443 123 V N -0.751 119.067 119.914 -0.160 0.000 2.323 123 V HA -0.184 3.936 4.120 0.000 0.000 0.244 123 V C 2.762 178.741 176.094 -0.191 0.000 1.041 123 V CA 2.146 64.360 62.300 -0.143 0.000 1.025 123 V CB -0.786 31.004 31.823 -0.055 0.000 0.656 123 V HN 0.638 nan 8.190 nan 0.000 0.451 124 S N 0.374 115.983 115.700 -0.151 0.000 2.359 124 S HA -0.317 4.153 4.470 0.000 0.000 0.222 124 S C 2.133 176.604 174.600 -0.215 0.000 1.038 124 S CA 2.306 60.416 58.200 -0.150 0.000 1.051 124 S CB -0.710 62.428 63.200 -0.103 0.000 0.944 124 S HN 0.705 nan 8.310 nan 0.000 0.433 125 N N 1.047 119.577 118.700 -0.283 0.000 2.061 125 N HA -0.165 4.575 4.740 0.000 0.000 0.193 125 N C 1.906 177.198 175.510 -0.364 0.000 1.030 125 N CA 1.702 54.477 53.050 -0.458 0.000 0.856 125 N CB -0.531 37.560 38.487 -0.660 0.000 1.023 125 N HN 0.480 nan 8.380 nan 0.000 0.424 126 A N 1.379 123.977 122.820 -0.370 0.000 1.902 126 A HA -0.088 4.232 4.320 0.000 0.000 0.217 126 A C 2.389 179.620 177.584 -0.588 0.000 1.181 126 A CA 1.053 52.754 52.037 -0.561 0.000 0.623 126 A CB -0.639 17.787 19.000 -0.956 0.000 0.818 126 A HN 0.400 nan 8.150 nan 0.000 0.443 127 I N -0.492 119.793 120.570 -0.474 0.000 2.226 127 I HA -0.271 3.899 4.170 0.000 0.000 0.245 127 I C 2.415 178.515 176.117 -0.029 0.000 1.100 127 I CA 1.169 62.359 61.300 -0.184 0.000 1.374 127 I CB -0.352 37.580 38.000 -0.112 0.000 1.057 127 I HN 0.298 nan 8.210 nan 0.000 0.413 128 L N -0.211 120.971 121.223 -0.068 0.000 2.027 128 L HA -0.181 4.159 4.340 0.000 0.000 0.206 128 L C 2.604 179.474 176.870 0.001 0.000 1.074 128 L CA 1.017 55.860 54.840 0.004 0.000 0.745 128 L CB -0.528 41.507 42.059 -0.040 0.000 0.898 128 L HN 0.065 nan 8.230 nan 0.000 0.433 129 V N -0.719 119.157 119.914 -0.063 0.000 2.295 129 V HA -0.336 3.784 4.120 0.000 0.000 0.246 129 V C 2.540 178.652 176.094 0.030 0.000 1.049 129 V CA 1.916 64.193 62.300 -0.039 0.000 1.024 129 V CB -0.807 30.963 31.823 -0.087 0.000 0.648 129 V HN 0.537 nan 8.190 nan 0.000 0.447 130 H N 0.765 119.830 119.070 -0.008 0.000 2.290 130 H HA -0.160 4.396 4.556 0.000 0.000 0.298 130 H C 2.096 177.466 175.328 0.069 0.000 1.087 130 H CA 2.143 58.239 56.048 0.079 0.000 1.291 130 H CB -0.013 29.870 29.762 0.202 0.000 1.369 130 H HN 0.375 nan 8.280 nan 0.000 0.492 131 N N 0.872 119.711 118.700 0.231 0.000 2.457 131 N HA -0.075 4.665 4.740 0.000 0.000 0.180 131 N C 1.819 177.383 175.510 0.090 0.000 1.050 131 N CA 0.351 53.517 53.050 0.193 0.000 0.906 131 N CB -0.184 38.426 38.487 0.206 0.000 0.968 131 N HN 0.393 nan 8.380 nan 0.000 0.445 132 K N 1.112 121.542 120.400 0.050 0.000 2.362 132 K HA 0.020 4.340 4.320 0.000 0.000 0.200 132 K C 1.117 177.713 176.600 -0.007 0.000 1.046 132 K CA 0.760 57.056 56.287 0.016 0.000 0.952 132 K CB 0.189 32.688 32.500 -0.001 0.000 0.753 132 K HN 0.095 nan 8.250 nan 0.000 0.466 133 K N -0.951 119.425 120.400 -0.040 0.000 2.439 133 K HA -0.007 4.314 4.320 0.000 0.000 0.197 133 K C 0.932 177.508 176.600 -0.040 0.000 1.041 133 K CA 0.695 56.944 56.287 -0.063 0.000 0.970 133 K CB 0.268 32.687 32.500 -0.135 0.000 0.773 133 K HN 0.352 nan 8.250 nan 0.000 0.479 134 G N 0.587 109.379 108.800 -0.013 0.000 2.141 134 G HA2 -0.233 3.728 3.960 0.000 0.000 0.242 134 G HA3 -0.233 3.728 3.960 0.000 0.000 0.242 134 G C 0.392 175.304 174.900 0.021 0.000 0.982 134 G CA -0.060 45.048 45.100 0.013 0.000 0.662 134 G HN 0.522 nan 8.290 nan 0.000 0.527 135 G N -0.009 108.799 108.800 0.015 0.000 2.695 135 G HA2 0.710 4.670 3.960 0.000 0.000 0.213 135 G HA3 0.710 4.670 3.960 0.000 0.000 0.213 135 G C -1.912 173.041 174.900 0.087 0.000 1.406 135 G CA -0.444 44.679 45.100 0.038 0.000 1.049 135 G HN 0.280 nan 8.290 nan 0.000 0.573 136 P HA 0.197 nan 4.420 nan 0.000 0.267 136 P C -0.376 177.033 177.300 0.182 0.000 1.200 136 P CA 0.015 63.185 63.100 0.118 0.000 0.772 136 P CB 0.500 32.260 31.700 0.101 0.000 0.855 137 L N 1.486 122.784 121.223 0.124 0.000 2.380 137 L HA 0.434 4.774 4.340 0.000 0.000 0.273 137 L C 0.799 177.709 176.870 0.067 0.000 1.138 137 L CA -0.539 54.377 54.840 0.126 0.000 0.832 137 L CB 0.553 42.660 42.059 0.080 0.000 1.124 137 L HN 0.412 nan 8.230 nan 0.000 0.454 138 A N 2.411 125.253 122.820 0.037 0.000 2.293 138 A HA 0.642 4.962 4.320 0.000 0.000 0.302 138 A C -0.751 176.853 177.584 0.034 0.000 1.119 138 A CA -0.492 51.501 52.037 -0.073 0.000 0.823 138 A CB 0.848 19.708 19.000 -0.232 0.000 1.097 138 A HN 0.801 nan 8.150 nan 0.000 0.491 139 D N -0.694 119.745 120.400 0.064 0.000 2.904 139 D HA 0.758 5.398 4.640 0.000 0.000 0.290 139 D C -0.144 176.226 176.300 0.118 0.000 1.180 139 D CA 0.024 54.053 54.000 0.049 0.000 1.065 139 D CB 0.824 41.678 40.800 0.091 0.000 1.386 139 D HN 1.006 nan 8.370 nan 0.000 0.599 140 G N -1.339 107.503 108.800 0.070 0.000 2.673 140 G HA2 0.583 4.544 3.960 0.000 0.000 0.292 140 G HA3 0.583 4.544 3.960 0.000 0.000 0.292 140 G C -1.658 173.353 174.900 0.185 0.000 1.450 140 G CA -0.835 44.348 45.100 0.137 0.000 0.837 140 G HN 0.458 nan 8.290 nan 0.000 0.505 141 I N 0.450 121.148 120.570 0.214 0.000 2.498 141 I HA 0.443 4.613 4.170 0.000 0.000 0.290 141 I C -0.563 175.665 176.117 0.185 0.000 1.032 141 I CA -1.126 60.319 61.300 0.242 0.000 1.073 141 I CB 2.513 40.665 38.000 0.253 0.000 1.251 141 I HN 0.209 nan 8.210 nan 0.000 0.426 142 V N 6.867 126.875 119.914 0.157 0.000 2.384 142 V HA 0.436 4.556 4.120 0.000 0.000 0.287 142 V C 0.031 176.216 176.094 0.151 0.000 1.020 142 V CA -0.490 61.881 62.300 0.119 0.000 0.850 142 V CB 1.560 33.414 31.823 0.051 0.000 0.987 142 V HN 0.473 nan 8.190 nan 0.000 0.436 143 I N 4.442 125.114 120.570 0.171 0.000 2.313 143 I HA 0.498 4.668 4.170 0.000 0.000 0.286 143 I C 0.152 176.352 176.117 0.139 0.000 1.091 143 I CA 0.351 61.773 61.300 0.204 0.000 1.216 143 I CB 0.969 39.133 38.000 0.273 0.000 1.434 143 I HN 0.724 nan 8.210 nan 0.000 0.487 144 T N 6.521 121.120 114.554 0.076 0.000 3.159 144 T HA 0.361 4.711 4.350 0.000 0.000 0.343 144 T C -2.619 172.011 174.700 -0.117 0.000 1.364 144 T CA -0.912 61.188 62.100 0.001 0.000 1.102 144 T CB 2.182 71.068 68.868 0.031 0.000 1.263 144 T HN 0.278 nan 8.240 nan 0.000 0.477 145 P HA 0.293 nan 4.420 nan 0.000 0.259 145 P C 0.631 177.787 177.300 -0.240 0.000 1.530 145 P CA 0.134 63.037 63.100 -0.328 0.000 1.022 145 P CB 0.041 31.407 31.700 -0.557 0.000 1.514 146 S N 1.908 117.521 115.700 -0.145 0.000 3.790 146 S HA -0.248 4.222 4.470 0.000 0.000 0.628 146 S C 1.072 175.673 174.600 0.002 0.000 2.348 146 S CA 1.480 59.610 58.200 -0.116 0.000 3.927 146 S CB -1.914 61.126 63.200 -0.267 0.000 0.236 146 S HN 0.619 nan 8.310 nan 0.000 0.953 147 H N 2.081 121.131 119.070 -0.034 0.000 2.543 147 H HA 0.490 5.046 4.556 0.000 0.000 0.269 147 H C 0.461 175.744 175.328 -0.076 0.000 1.005 147 H CA 0.479 56.499 56.048 -0.047 0.000 1.146 147 H CB -1.335 28.388 29.762 -0.065 0.000 1.353 147 H HN 0.282 nan 8.280 nan 0.000 0.595 148 N N 2.489 121.299 118.700 0.183 0.000 2.374 148 N HA 0.060 4.800 4.740 0.000 0.000 0.241 148 N C -2.331 173.189 175.510 0.018 0.000 1.262 148 N CA -1.314 51.763 53.050 0.045 0.000 0.880 148 N CB 0.138 38.561 38.487 -0.106 0.000 1.105 148 N HN 0.218 nan 8.380 nan 0.000 0.438 149 P HA 0.014 nan 4.420 nan 0.000 0.270 149 P C -1.676 175.617 177.300 -0.012 0.000 1.221 149 P CA -0.618 62.431 63.100 -0.086 0.000 0.788 149 P CB 0.090 31.742 31.700 -0.079 0.000 0.904 150 P HA -0.196 nan 4.420 nan 0.000 0.218 150 P C 1.125 178.511 177.300 0.145 0.000 1.146 150 P CA 1.390 64.542 63.100 0.088 0.000 0.813 150 P CB -0.275 31.502 31.700 0.129 0.000 0.778 151 E N -0.942 119.291 120.200 0.055 0.000 2.481 151 E HA -0.020 4.331 4.350 0.000 0.000 0.195 151 E C -0.183 176.402 176.600 -0.025 0.000 1.047 151 E CA 0.569 56.988 56.400 0.033 0.000 0.867 151 E CB -0.497 29.211 29.700 0.014 0.000 0.858 151 E HN 0.193 nan 8.360 nan 0.000 0.513 152 D N 0.684 121.031 120.400 -0.087 0.000 2.294 152 D HA 0.571 5.211 4.640 0.000 0.000 0.250 152 D C -0.128 175.870 176.300 -0.503 0.000 1.058 152 D CA -0.063 53.774 54.000 -0.271 0.000 0.950 152 D CB 1.596 42.222 40.800 -0.291 0.000 1.158 152 D HN 0.183 nan 8.370 nan 0.000 0.453 153 G N -1.464 106.826 108.800 -0.851 0.000 2.574 153 G HA2 0.700 4.660 3.960 0.000 0.000 0.299 153 G HA3 0.700 4.660 3.960 0.000 0.000 0.299 153 G C -0.814 173.344 174.900 -1.237 0.000 1.298 153 G CA -0.817 43.449 45.100 -1.389 0.000 0.952 153 G HN 0.520 nan 8.290 nan 0.000 0.477 154 G N -1.094 107.326 108.800 -0.633 0.000 2.704 154 G HA2 0.664 4.624 3.960 0.000 0.000 0.293 154 G HA3 0.664 4.624 3.960 0.000 0.000 0.293 154 G C -1.811 173.248 174.900 0.265 0.000 1.421 154 G CA -0.585 44.468 45.100 -0.078 0.000 0.870 154 G HN 1.054 nan 8.290 nan 0.000 0.492 155 I N 0.241 121.018 120.570 0.345 0.000 2.680 155 I HA 0.671 4.841 4.170 0.000 0.000 0.291 155 I C -1.240 175.059 176.117 0.303 0.000 1.244 155 I CA -0.906 60.606 61.300 0.353 0.000 1.042 155 I CB 2.161 40.420 38.000 0.433 0.000 1.277 155 I HN 0.765 nan 8.210 nan 0.000 0.423 156 K N 5.315 125.861 120.400 0.244 0.000 2.533 156 K HA 0.432 4.752 4.320 0.000 0.000 0.272 156 K C -2.278 174.501 176.600 0.299 0.000 0.985 156 K CA -0.796 55.582 56.287 0.153 0.000 0.876 156 K CB 2.283 34.762 32.500 -0.037 0.000 1.452 156 K HN 0.468 nan 8.250 nan 0.000 0.439 157 Y N 1.116 121.514 120.300 0.165 0.000 2.393 157 Y HA 0.438 4.988 4.550 0.000 0.000 0.341 157 Y C -1.361 174.587 175.900 0.080 0.000 0.988 157 Y CA -1.100 57.110 58.100 0.183 0.000 1.078 157 Y CB 2.026 40.672 38.460 0.309 0.000 1.203 157 Y HN 0.720 nan 8.280 nan 0.000 0.453 158 N N 8.503 126.850 118.700 -0.589 0.000 2.491 158 N HA 0.303 5.043 4.740 0.000 0.000 0.274 158 N C -2.900 172.120 175.510 -0.817 0.000 1.023 158 N CA -1.513 51.222 53.050 -0.524 0.000 0.902 158 N CB 2.268 40.610 38.487 -0.241 0.000 1.267 158 N HN 0.385 nan 8.380 nan 0.000 0.503 159 P HA 0.200 nan 4.420 nan 0.000 0.286 159 P C -1.931 175.212 177.300 -0.261 0.000 1.293 159 P CA -0.921 61.884 63.100 -0.491 0.000 0.770 159 P CB 0.197 31.746 31.700 -0.252 0.000 1.206 160 P HA -0.162 nan 4.420 nan 0.000 0.221 160 P C 0.722 177.918 177.300 -0.173 0.000 1.145 160 P CA 1.424 64.462 63.100 -0.102 0.000 0.795 160 P CB -0.619 31.054 31.700 -0.046 0.000 0.775 161 N N -0.912 117.583 118.700 -0.340 0.000 2.515 161 N HA 0.015 4.755 4.740 0.000 0.000 0.191 161 N C 1.330 176.687 175.510 -0.255 0.000 1.182 161 N CA 0.926 53.609 53.050 -0.610 0.000 0.879 161 N CB -1.313 36.558 38.487 -1.027 0.000 0.984 161 N HN 0.175 nan 8.380 nan 0.000 0.453 162 G N -1.888 106.817 108.800 -0.158 0.000 2.245 162 G HA2 -0.235 3.725 3.960 0.000 0.000 0.264 162 G HA3 -0.235 3.725 3.960 0.000 0.000 0.264 162 G C 0.416 175.260 174.900 -0.092 0.000 0.985 162 G CA 0.409 45.450 45.100 -0.099 0.000 0.625 162 G HN 0.845 nan 8.290 nan 0.000 0.536 163 G N 0.350 109.088 108.800 -0.104 0.000 2.522 163 G HA2 0.694 4.654 3.960 0.000 0.000 0.304 163 G HA3 0.694 4.654 3.960 0.000 0.000 0.304 163 G C -2.020 172.826 174.900 -0.090 0.000 1.210 163 G CA -0.636 44.439 45.100 -0.041 0.000 0.960 163 G HN 0.255 nan 8.290 nan 0.000 0.497 164 P HA 0.247 nan 4.420 nan 0.000 0.269 164 P C -0.056 177.186 177.300 -0.097 0.000 1.209 164 P CA -0.025 63.031 63.100 -0.075 0.000 0.776 164 P CB 0.795 32.475 31.700 -0.034 0.000 0.876 165 A N 2.571 125.339 122.820 -0.087 0.000 2.477 165 A HA 0.108 4.428 4.320 0.000 0.000 0.246 165 A C 0.538 178.102 177.584 -0.035 0.000 1.078 165 A CA 0.098 52.121 52.037 -0.023 0.000 0.770 165 A CB -0.422 18.690 19.000 0.187 0.000 1.011 165 A HN 0.514 nan 8.150 nan 0.000 0.494 166 D N 0.620 120.990 120.400 -0.050 0.000 2.411 166 D HA 0.213 4.853 4.640 0.000 0.000 0.251 166 D C 1.871 178.155 176.300 -0.027 0.000 1.201 166 D CA 0.706 54.654 54.000 -0.087 0.000 0.996 166 D CB 1.038 41.755 40.800 -0.137 0.000 1.101 166 D HN 0.611 nan 8.370 nan 0.000 0.504 167 T N -1.127 113.399 114.554 -0.048 0.000 2.822 167 T HA -0.254 4.096 4.350 0.000 0.000 0.270 167 T C 1.366 176.079 174.700 0.023 0.000 1.064 167 T CA 1.788 63.888 62.100 -0.001 0.000 1.131 167 T CB -0.703 68.156 68.868 -0.016 0.000 0.858 167 T HN 0.644 nan 8.240 nan 0.000 0.483 168 N N 0.758 119.460 118.700 0.004 0.000 2.364 168 N HA -0.056 4.684 4.740 0.000 0.000 0.183 168 N C 1.553 177.086 175.510 0.039 0.000 1.022 168 N CA 0.835 53.894 53.050 0.014 0.000 0.883 168 N CB -0.268 38.217 38.487 -0.003 0.000 0.965 168 N HN 0.332 nan 8.380 nan 0.000 0.438 169 V N 0.370 120.326 119.914 0.071 0.000 2.581 169 V HA -0.088 4.032 4.120 0.000 0.000 0.240 169 V C 2.703 178.897 176.094 0.167 0.000 1.054 169 V CA 1.698 64.070 62.300 0.120 0.000 1.076 169 V CB -0.273 31.669 31.823 0.198 0.000 0.748 169 V HN 0.629 nan 8.190 nan 0.000 0.474 170 T N -1.533 113.152 114.554 0.218 0.000 2.867 170 T HA -0.206 4.144 4.350 0.000 0.000 0.268 170 T C 1.814 176.681 174.700 0.280 0.000 1.057 170 T CA 1.492 63.822 62.100 0.383 0.000 1.136 170 T CB -0.234 68.790 68.868 0.259 0.000 0.874 170 T HN 0.346 nan 8.240 nan 0.000 0.466 171 K N 0.576 121.062 120.400 0.144 0.000 2.057 171 K HA 0.066 4.386 4.320 0.000 0.000 0.206 171 K C 2.384 179.017 176.600 0.055 0.000 1.050 171 K CA 1.108 57.453 56.287 0.096 0.000 0.935 171 K CB -0.455 32.082 32.500 0.061 0.000 0.715 171 K HN 0.181 nan 8.250 nan 0.000 0.439 172 V N 0.755 120.689 119.914 0.033 0.000 2.287 172 V HA -0.248 3.872 4.120 0.000 0.000 0.248 172 V C 2.192 178.252 176.094 -0.055 0.000 1.053 172 V CA 1.606 63.900 62.300 -0.010 0.000 1.027 172 V CB -0.377 31.437 31.823 -0.015 0.000 0.646 172 V HN 0.096 nan 8.190 nan 0.000 0.447 173 V N -0.030 119.835 119.914 -0.081 0.000 2.295 173 V HA -0.318 3.802 4.120 0.000 0.000 0.246 173 V C 2.471 178.419 176.094 -0.243 0.000 1.049 173 V CA 2.412 64.564 62.300 -0.247 0.000 1.024 173 V CB -0.630 30.909 31.823 -0.474 0.000 0.648 173 V HN 0.698 nan 8.190 nan 0.000 0.447 174 E N 0.054 120.198 120.200 -0.093 0.000 2.058 174 E HA -0.291 4.059 4.350 0.000 0.000 0.194 174 E C 1.857 178.438 176.600 -0.032 0.000 0.997 174 E CA 1.824 58.219 56.400 -0.009 0.000 0.801 174 E CB -0.108 29.680 29.700 0.146 0.000 0.746 174 E HN 0.613 nan 8.360 nan 0.000 0.450 175 D N -0.205 120.181 120.400 -0.024 0.000 2.117 175 D HA -0.154 4.486 4.640 0.000 0.000 0.198 175 D C 2.085 178.353 176.300 -0.054 0.000 0.982 175 D CA 0.880 54.864 54.000 -0.026 0.000 0.828 175 D CB -0.286 40.505 40.800 -0.015 0.000 0.967 175 D HN 0.049 nan 8.370 nan 0.000 0.464 176 R N 1.417 121.870 120.500 -0.080 0.000 2.073 176 R HA -0.029 4.311 4.340 0.000 0.000 0.234 176 R C 1.986 178.219 176.300 -0.112 0.000 1.134 176 R CA 1.831 57.873 56.100 -0.096 0.000 0.952 176 R CB -0.896 29.334 30.300 -0.117 0.000 0.850 176 R HN 0.070 nan 8.270 nan 0.000 0.433 177 A N 0.189 122.923 122.820 -0.143 0.000 1.908 177 A HA -0.193 4.127 4.320 0.000 0.000 0.218 177 A C 1.958 179.476 177.584 -0.111 0.000 1.181 177 A CA 1.976 53.922 52.037 -0.153 0.000 0.627 177 A CB -0.790 18.088 19.000 -0.202 0.000 0.818 177 A HN 0.632 nan 8.150 nan 0.000 0.445 178 N N -0.225 118.429 118.700 -0.077 0.000 2.188 178 N HA 0.005 4.745 4.740 0.000 0.000 0.184 178 N C 1.848 177.326 175.510 -0.053 0.000 1.018 178 N CA 0.973 53.993 53.050 -0.050 0.000 0.858 178 N CB -0.214 38.263 38.487 -0.017 0.000 0.989 178 N HN 0.493 nan 8.380 nan 0.000 0.426 179 A N 0.706 123.492 122.820 -0.056 0.000 1.968 179 A HA -0.014 4.306 4.320 0.000 0.000 0.217 179 A C 2.065 179.611 177.584 -0.063 0.000 1.169 179 A CA 0.786 52.792 52.037 -0.052 0.000 0.638 179 A CB -0.474 18.497 19.000 -0.048 0.000 0.812 179 A HN 0.180 nan 8.150 nan 0.000 0.446 180 L N -0.702 120.474 121.223 -0.079 0.000 2.056 180 L HA -0.141 4.199 4.340 0.000 0.000 0.207 180 L C 2.515 179.330 176.870 -0.092 0.000 1.078 180 L CA 0.884 55.672 54.840 -0.086 0.000 0.749 180 L CB -0.406 41.591 42.059 -0.103 0.000 0.901 180 L HN 0.382 nan 8.230 nan 0.000 0.433 181 L N -0.570 120.591 121.223 -0.103 0.000 2.017 181 L HA -0.206 4.134 4.340 0.000 0.000 0.208 181 L C 2.816 179.636 176.870 -0.083 0.000 1.073 181 L CA 1.255 56.027 54.840 -0.114 0.000 0.745 181 L CB -0.675 41.307 42.059 -0.129 0.000 0.894 181 L HN 0.243 nan 8.230 nan 0.000 0.432 182 A N -0.021 122.761 122.820 -0.064 0.000 1.972 182 A HA -0.093 4.227 4.320 0.000 0.000 0.219 182 A C 2.118 179.674 177.584 -0.046 0.000 1.169 182 A CA 1.526 53.534 52.037 -0.048 0.000 0.635 182 A CB -0.938 18.040 19.000 -0.038 0.000 0.810 182 A HN 0.455 nan 8.150 nan 0.000 0.446 183 G N -1.619 107.150 108.800 -0.052 0.000 3.181 183 G HA2 0.376 4.336 3.960 0.000 0.000 0.219 183 G HA3 0.376 4.336 3.960 0.000 0.000 0.219 183 G C 1.076 175.945 174.900 -0.051 0.000 1.182 183 G CA 0.462 45.533 45.100 -0.048 0.000 0.791 183 G HN 1.536 nan 8.290 nan 0.000 0.537 184 G N 0.381 109.146 108.800 -0.058 0.000 2.225 184 G HA2 -0.284 3.676 3.960 0.000 0.000 0.267 184 G HA3 -0.284 3.676 3.960 0.000 0.000 0.267 184 G C 0.825 175.687 174.900 -0.063 0.000 1.024 184 G CA 0.196 45.261 45.100 -0.058 0.000 0.784 184 G HN 1.231 nan 8.290 nan 0.000 0.507 185 L N -3.128 118.051 121.223 -0.073 0.000 4.351 185 L HA -0.301 4.039 4.340 0.000 0.000 0.410 185 L C 2.056 178.890 176.870 -0.061 0.000 1.150 185 L CA 1.388 56.182 54.840 -0.076 0.000 0.961 185 L CB -1.891 40.119 42.059 -0.082 0.000 2.130 185 L HN 0.499 nan 8.230 nan 0.000 0.787 186 Q N 0.217 119.985 119.800 -0.053 0.000 2.234 186 Q HA -0.119 4.221 4.340 0.000 0.000 0.206 186 Q C 2.031 178.003 176.000 -0.046 0.000 0.980 186 Q CA 1.961 57.737 55.803 -0.045 0.000 0.869 186 Q CB -0.077 28.638 28.738 -0.039 0.000 0.912 186 Q HN 0.702 nan 8.270 nan 0.000 0.436 187 G N -1.177 107.591 108.800 -0.053 0.000 3.126 187 G HA2 0.159 4.119 3.960 0.000 0.000 0.224 187 G HA3 0.159 4.119 3.960 0.000 0.000 0.224 187 G C -0.006 174.856 174.900 -0.062 0.000 1.142 187 G CA -0.256 44.811 45.100 -0.055 0.000 0.759 187 G HN 0.045 nan 8.290 nan 0.000 0.550 188 V N 1.680 121.556 119.914 -0.064 0.000 2.488 188 V HA 0.184 4.304 4.120 0.000 0.000 0.277 188 V C 0.055 176.116 176.094 -0.056 0.000 1.046 188 V CA -0.340 61.920 62.300 -0.067 0.000 0.986 188 V CB 1.070 32.849 31.823 -0.072 0.000 0.989 188 V HN 0.179 nan 8.190 nan 0.000 0.475 189 K N 5.862 126.228 120.400 -0.058 0.000 2.248 189 K HA 0.573 4.893 4.320 0.000 0.000 0.281 189 K C -0.189 176.383 176.600 -0.047 0.000 1.054 189 K CA -0.473 55.785 56.287 -0.049 0.000 0.903 189 K CB 1.302 33.770 32.500 -0.053 0.000 1.077 189 K HN 0.526 nan 8.250 nan 0.000 0.474 190 R N 4.118 124.597 120.500 -0.035 0.000 2.604 190 R HA 0.406 4.747 4.340 0.000 0.000 0.281 190 R C -0.969 175.320 176.300 -0.018 0.000 1.020 190 R CA -0.555 55.528 56.100 -0.028 0.000 0.899 190 R CB 1.153 31.439 30.300 -0.023 0.000 1.205 190 R HN 0.786 nan 8.270 nan 0.000 0.450 191 I N -0.166 120.395 120.570 -0.015 0.000 3.067 191 I HA 0.544 4.714 4.170 0.000 0.000 0.312 191 I C 0.259 176.372 176.117 -0.006 0.000 1.073 191 I CA -0.962 60.333 61.300 -0.008 0.000 1.016 191 I CB 2.069 40.067 38.000 -0.003 0.000 1.227 191 I HN 0.662 nan 8.210 nan 0.000 0.456 192 S N 2.498 118.195 115.700 -0.005 0.000 2.573 192 S HA 0.056 4.526 4.470 0.000 0.000 0.277 192 S C 0.947 175.542 174.600 -0.008 0.000 1.346 192 S CA -0.557 57.641 58.200 -0.003 0.000 1.034 192 S CB 1.190 64.386 63.200 -0.005 0.000 0.879 192 S HN 0.749 nan 8.310 nan 0.000 0.528 193 L N 1.365 122.584 121.223 -0.006 0.000 1.997 193 L HA -0.177 4.163 4.340 0.000 0.000 0.216 193 L C 1.899 178.761 176.870 -0.015 0.000 1.074 193 L CA 2.250 57.082 54.840 -0.014 0.000 0.763 193 L CB -1.327 40.728 42.059 -0.006 0.000 0.890 193 L HN 0.813 nan 8.230 nan 0.000 0.434 194 D N -0.407 119.987 120.400 -0.010 0.000 2.133 194 D HA -0.195 4.445 4.640 0.000 0.000 0.195 194 D C 2.169 178.462 176.300 -0.012 0.000 0.997 194 D CA 1.685 55.679 54.000 -0.010 0.000 0.840 194 D CB -0.292 40.502 40.800 -0.010 0.000 0.947 194 D HN 0.538 nan 8.370 nan 0.000 0.452 195 A N 1.209 124.023 122.820 -0.010 0.000 1.902 195 A HA 0.114 4.434 4.320 0.000 0.000 0.217 195 A C 1.600 179.180 177.584 -0.006 0.000 1.181 195 A CA 1.401 53.433 52.037 -0.009 0.000 0.623 195 A CB -0.770 18.227 19.000 -0.005 0.000 0.818 195 A HN 0.285 nan 8.150 nan 0.000 0.443 199 S N -0.277 115.391 115.700 -0.053 0.000 2.474 199 S HA 0.322 4.792 4.470 0.000 0.000 0.235 199 S C 1.915 176.381 174.600 -0.223 0.000 0.997 199 S CA 1.806 59.945 58.200 -0.101 0.000 0.949 199 S CB -0.182 63.003 63.200 -0.024 0.000 0.766 199 S HN 2.392 nan 8.310 nan 0.000 0.517 200 G N 0.757 109.460 108.800 -0.162 0.000 2.225 200 G HA2 -0.284 3.676 3.960 0.000 0.000 0.254 200 G HA3 -0.284 3.676 3.960 0.000 0.000 0.254 200 G C 0.684 175.473 174.900 -0.185 0.000 0.988 200 G CA 0.475 45.463 45.100 -0.187 0.000 0.625 200 G HN 0.595 nan 8.290 nan 0.000 0.527 201 H N -0.287 118.760 119.070 -0.037 0.000 2.502 201 H HA 0.251 4.807 4.556 0.000 0.000 0.283 201 H C 1.162 176.457 175.328 -0.055 0.000 1.015 201 H CA 1.293 57.313 56.048 -0.046 0.000 1.298 201 H CB 0.275 30.007 29.762 -0.050 0.000 1.411 201 H HN 0.330 nan 8.280 nan 0.000 0.556 202 V N 3.183 123.125 119.914 0.047 0.000 2.328 202 V HA 0.189 4.309 4.120 0.000 0.000 0.278 202 V C 0.196 176.290 176.094 -0.000 0.000 1.021 202 V CA -0.779 61.526 62.300 0.008 0.000 0.838 202 V CB 1.610 33.425 31.823 -0.013 0.000 0.999 202 V HN 0.003 nan 8.190 nan 0.000 0.447 203 K N 3.659 124.055 120.400 -0.006 0.000 2.274 203 K HA 0.747 5.067 4.320 0.000 0.000 0.262 203 K C -0.203 176.404 176.600 0.011 0.000 0.961 203 K CA -0.299 55.986 56.287 -0.004 0.000 0.833 203 K CB 2.332 34.824 32.500 -0.014 0.000 1.102 203 K HN 0.717 nan 8.250 nan 0.000 0.436 204 A N 2.908 125.740 122.820 0.020 0.000 2.260 204 A HA 0.585 4.905 4.320 0.000 0.000 0.314 204 A C 0.015 177.614 177.584 0.026 0.000 1.257 204 A CA -0.600 51.456 52.037 0.032 0.000 0.871 204 A CB 0.352 19.368 19.000 0.028 0.000 1.166 204 A HN 0.498 nan 8.150 nan 0.000 0.522 205 V N -0.247 119.690 119.914 0.038 0.000 3.141 205 V HA 0.714 4.834 4.120 0.000 0.000 0.312 205 V C -0.776 175.336 176.094 0.031 0.000 1.157 205 V CA -0.990 61.334 62.300 0.040 0.000 1.041 205 V CB 1.959 33.823 31.823 0.069 0.000 1.071 205 V HN 0.697 nan 8.190 nan 0.000 0.441 206 D N 0.697 121.108 120.400 0.019 0.000 2.380 206 D HA 0.414 5.054 4.640 0.000 0.000 0.230 206 D C 0.744 177.050 176.300 0.011 0.000 1.154 206 D CA -0.068 53.928 54.000 -0.007 0.000 0.859 206 D CB 0.943 41.725 40.800 -0.030 0.000 1.045 206 D HN 0.596 nan 8.370 nan 0.000 0.495 207 L N 3.181 124.416 121.223 0.020 0.000 2.341 207 L HA -0.024 4.316 4.340 0.000 0.000 0.214 207 L C 2.144 179.017 176.870 0.005 0.000 1.115 207 L CA 0.053 54.926 54.840 0.056 0.000 0.820 207 L CB -0.055 42.066 42.059 0.103 0.000 0.944 207 L HN 0.338 nan 8.230 nan 0.000 0.452 208 V N -0.300 119.505 119.914 -0.181 0.000 2.237 208 V HA -0.324 3.797 4.120 0.000 0.000 0.245 208 V C 2.501 178.480 176.094 -0.192 0.000 1.046 208 V CA 1.966 63.967 62.300 -0.498 0.000 1.007 208 V CB -0.571 30.842 31.823 -0.683 0.000 0.638 208 V HN 0.385 nan 8.190 nan 0.000 0.445 209 Q N 0.514 120.238 119.800 -0.126 0.000 2.030 209 Q HA -0.150 4.190 4.340 0.000 0.000 0.204 209 Q C 0.076 176.059 176.000 -0.028 0.000 0.986 209 Q CA 2.531 58.278 55.803 -0.095 0.000 0.843 209 Q CB -1.615 27.072 28.738 -0.084 0.000 0.904 209 Q HN 0.476 nan 8.270 nan 0.000 0.420 210 P HA -0.151 nan 4.420 nan 0.000 0.216 210 P C 0.907 178.301 177.300 0.157 0.000 1.153 210 P CA 1.193 64.333 63.100 0.067 0.000 0.858 210 P CB -0.267 31.471 31.700 0.064 0.000 0.789 211 F N -0.030 119.958 119.950 0.064 0.000 2.102 211 F HA -0.194 4.333 4.527 0.000 0.000 0.298 211 F C 2.028 178.012 175.800 0.307 0.000 1.105 211 F CA 1.354 59.479 58.000 0.208 0.000 1.239 211 F CB -0.700 38.460 39.000 0.266 0.000 0.991 211 F HN -0.316 nan 8.300 nan 0.000 0.474 212 V N 0.457 120.617 119.914 0.409 0.000 2.343 212 V HA -0.291 3.829 4.120 0.000 0.000 0.247 212 V C 2.174 178.381 176.094 0.187 0.000 1.051 212 V CA 2.328 64.803 62.300 0.292 0.000 1.036 212 V CB -0.674 31.225 31.823 0.127 0.000 0.654 212 V HN 0.366 nan 8.190 nan 0.000 0.451 213 E N 0.206 120.405 120.200 -0.002 0.000 2.106 213 E HA -0.116 4.234 4.350 0.000 0.000 0.192 213 E C 2.265 178.967 176.600 0.171 0.000 0.984 213 E CA 1.060 57.442 56.400 -0.029 0.000 0.806 213 E CB -0.398 29.233 29.700 -0.115 0.000 0.750 213 E HN 0.645 nan 8.360 nan 0.000 0.458 214 G N 0.911 109.831 108.800 0.200 0.000 2.598 214 G HA2 -0.170 3.790 3.960 0.000 0.000 0.215 214 G HA3 -0.170 3.790 3.960 0.000 0.000 0.215 214 G C 1.478 176.417 174.900 0.065 0.000 1.131 214 G CA 0.063 45.329 45.100 0.277 0.000 0.785 214 G HN 0.098 nan 8.290 nan 0.000 0.539 215 L N 0.560 121.736 121.223 -0.079 0.000 2.187 215 L HA -0.085 4.255 4.340 0.000 0.000 0.213 215 L C 3.219 179.945 176.870 -0.241 0.000 1.100 215 L CA 0.829 55.411 54.840 -0.430 0.000 0.765 215 L CB -0.235 41.662 42.059 -0.270 0.000 0.904 215 L HN 0.291 nan 8.230 nan 0.000 0.437 216 A N -0.749 122.091 122.820 0.034 0.000 2.125 216 A HA -0.239 4.081 4.320 0.000 0.000 0.219 216 A C 1.775 179.473 177.584 0.190 0.000 1.156 216 A CA 1.777 53.885 52.037 0.118 0.000 0.671 216 A CB -0.416 18.734 19.000 0.249 0.000 0.794 216 A HN 0.367 nan 8.150 nan 0.000 0.459 217 D N -1.704 118.776 120.400 0.133 0.000 2.328 217 D HA 0.187 4.827 4.640 0.000 0.000 0.221 217 D C 1.020 177.452 176.300 0.220 0.000 1.072 217 D CA 0.410 54.563 54.000 0.255 0.000 0.850 217 D CB 0.054 40.976 40.800 0.203 0.000 0.922 217 D HN 0.486 nan 8.370 nan 0.000 0.516 218 I N -1.561 118.935 120.570 -0.124 0.000 4.866 218 I HA 0.190 4.360 4.170 0.000 0.000 0.325 218 I C -0.805 174.906 176.117 -0.677 0.000 1.240 218 I CA 0.111 61.087 61.300 -0.540 0.000 1.355 218 I CB 1.008 38.522 38.000 -0.809 0.000 1.395 218 I HN -0.320 nan 8.210 nan 0.000 0.479 219 V N 2.203 121.938 119.914 -0.298 0.000 2.680 219 V HA 0.382 4.502 4.120 0.000 0.000 0.309 219 V C -0.488 175.715 176.094 0.181 0.000 1.052 219 V CA -0.734 61.498 62.300 -0.113 0.000 0.908 219 V CB 1.669 33.408 31.823 -0.140 0.000 1.001 219 V HN 0.113 nan 8.190 nan 0.000 0.431 223 A N 0.770 123.612 122.820 0.037 0.000 1.902 223 A HA 0.002 4.322 4.320 0.000 0.000 0.217 223 A C 1.951 179.557 177.584 0.037 0.000 1.181 223 A CA 1.789 53.849 52.037 0.040 0.000 0.623 223 A CB -0.782 18.249 19.000 0.050 0.000 0.818 223 A HN 0.633 nan 8.150 nan 0.000 0.443 224 I N -0.553 120.034 120.570 0.029 0.000 2.163 224 I HA -0.361 3.809 4.170 0.000 0.000 0.243 224 I C 2.830 178.977 176.117 0.051 0.000 1.085 224 I CA 1.804 63.123 61.300 0.033 0.000 1.347 224 I CB -0.539 37.472 38.000 0.019 0.000 1.044 224 I HN 0.440 nan 8.210 nan 0.000 0.408 225 Q N 0.512 120.348 119.800 0.060 0.000 2.077 225 Q HA -0.294 4.046 4.340 0.000 0.000 0.206 225 Q C 2.295 178.330 176.000 0.058 0.000 0.989 225 Q CA 1.836 57.684 55.803 0.074 0.000 0.853 225 Q CB -0.238 28.555 28.738 0.092 0.000 0.907 225 Q HN 0.397 nan 8.270 nan 0.000 0.418 226 K N 0.100 120.529 120.400 0.048 0.000 2.148 226 K HA -0.090 4.230 4.320 0.000 0.000 0.204 226 K C 1.932 178.555 176.600 0.038 0.000 1.050 226 K CA 0.983 57.294 56.287 0.040 0.000 0.942 226 K CB -0.053 32.468 32.500 0.036 0.000 0.724 226 K HN 0.180 nan 8.250 nan 0.000 0.446 227 A N 0.641 123.485 122.820 0.040 0.000 2.015 227 A HA 0.050 4.370 4.320 0.000 0.000 0.219 227 A C 1.320 178.927 177.584 0.040 0.000 1.163 227 A CA 1.131 53.192 52.037 0.039 0.000 0.646 227 A CB -0.729 18.294 19.000 0.038 0.000 0.806 227 A HN 0.503 nan 8.150 nan 0.000 0.448 228 G N -0.514 108.313 108.800 0.045 0.000 2.366 228 G HA2 -0.226 3.734 3.960 0.000 0.000 0.299 228 G HA3 -0.226 3.734 3.960 0.000 0.000 0.299 228 G C 0.025 174.952 174.900 0.046 0.000 1.020 228 G CA 0.479 45.606 45.100 0.046 0.000 1.026 228 G HN 0.489 nan 8.290 nan 0.000 0.512 229 L N -0.387 120.866 121.223 0.050 0.000 2.464 229 L HA 0.376 4.716 4.340 0.000 0.000 0.264 229 L C 1.035 177.940 176.870 0.058 0.000 1.199 229 L CA -0.118 54.752 54.840 0.050 0.000 0.818 229 L CB 0.686 42.775 42.059 0.050 0.000 1.102 229 L HN 0.173 nan 8.230 nan 0.000 0.473 230 T N 3.518 118.113 114.554 0.069 0.000 2.811 230 T HA 0.487 4.837 4.350 0.000 0.000 0.309 230 T C -0.094 174.695 174.700 0.148 0.000 1.005 230 T CA -0.365 61.803 62.100 0.112 0.000 0.955 230 T CB -0.047 68.881 68.868 0.101 0.000 0.970 230 T HN 0.224 nan 8.240 nan 0.000 0.496 231 L N 2.495 123.746 121.223 0.047 0.000 2.322 231 L HA 0.802 5.142 4.340 0.000 0.000 0.279 231 L C 0.856 177.373 176.870 -0.588 0.000 1.036 231 L CA -0.821 53.893 54.840 -0.211 0.000 0.807 231 L CB 1.501 43.450 42.059 -0.183 0.000 1.226 231 L HN 0.647 nan 8.230 nan 0.000 0.433 232 G N 0.973 109.002 108.800 -1.284 0.000 2.481 232 G HA2 0.637 4.597 3.960 0.000 0.000 0.315 232 G HA3 0.637 4.597 3.960 0.000 0.000 0.315 232 G C -1.831 172.284 174.900 -1.307 0.000 1.231 232 G CA -0.519 43.495 45.100 -1.811 0.000 0.968 232 G HN 0.403 nan 8.290 nan 0.000 0.482 233 V N 0.597 119.968 119.914 -0.904 0.000 2.808 233 V HA 0.622 4.742 4.120 0.000 0.000 0.308 233 V C -1.795 174.065 176.094 -0.390 0.000 1.099 233 V CA -0.906 60.962 62.300 -0.720 0.000 0.920 233 V CB 2.262 33.582 31.823 -0.837 0.000 1.014 233 V HN 0.725 nan 8.190 nan 0.000 0.425 234 D N 6.971 127.221 120.400 -0.249 0.000 2.427 234 D HA 0.524 5.164 4.640 0.000 0.000 0.226 234 D C -1.998 174.308 176.300 0.010 0.000 1.076 234 D CA -2.122 51.826 54.000 -0.087 0.000 0.849 234 D CB 2.419 43.202 40.800 -0.029 0.000 1.052 234 D HN 0.344 nan 8.370 nan 0.000 0.515 235 P HA 0.035 nan 4.420 nan 0.000 0.230 235 P C 0.635 178.131 177.300 0.326 0.000 1.158 235 P CA 0.187 63.477 63.100 0.317 0.000 0.769 235 P CB 0.038 31.929 31.700 0.318 0.000 0.807 236 L N -2.792 118.580 121.223 0.249 0.000 3.839 236 L HA -0.264 4.076 4.340 0.000 0.000 0.416 236 L C 1.081 178.280 176.870 0.549 0.000 1.195 236 L CA 0.398 55.478 54.840 0.401 0.000 0.946 236 L CB -2.501 39.719 42.059 0.269 0.000 1.891 236 L HN 0.376 nan 8.230 nan 0.000 0.963 237 G N -1.092 107.909 108.800 0.334 0.000 2.203 237 G HA2 -0.213 3.747 3.960 0.000 0.000 0.263 237 G HA3 -0.213 3.747 3.960 0.000 0.000 0.263 237 G C 0.605 175.630 174.900 0.209 0.000 1.012 237 G CA 0.527 45.769 45.100 0.235 0.000 0.749 237 G HN 0.997 nan 8.290 nan 0.000 0.512 238 G N -0.976 107.993 108.800 0.281 0.000 2.531 238 G HA2 0.637 4.597 3.960 0.000 0.000 0.313 238 G HA3 0.637 4.597 3.960 0.000 0.000 0.313 238 G C 1.271 176.125 174.900 -0.076 0.000 1.238 238 G CA 0.730 45.988 45.100 0.263 0.000 0.994 238 G HN 1.187 nan 8.290 nan 0.000 0.493 239 S N -1.550 114.042 115.700 -0.179 0.000 2.469 239 S HA 0.001 4.471 4.470 0.000 0.000 0.238 239 S C 1.833 176.108 174.600 -0.542 0.000 0.998 239 S CA 1.153 59.185 58.200 -0.280 0.000 0.957 239 S CB -0.027 63.084 63.200 -0.148 0.000 0.764 239 S HN 0.927 nan 8.310 nan 0.000 0.514 240 G N 0.522 108.492 108.800 -1.384 0.000 3.434 240 G HA2 0.349 4.309 3.960 0.000 0.000 0.258 240 G HA3 0.349 4.309 3.960 0.000 0.000 0.258 240 G C 0.816 175.479 174.900 -0.395 0.000 1.128 240 G CA -0.128 44.200 45.100 -1.287 0.000 0.792 240 G HN 0.506 nan 8.290 nan 0.000 0.539 241 I N -0.060 120.438 120.570 -0.121 0.000 2.151 241 I HA -0.172 3.998 4.170 0.000 0.000 0.243 241 I C 2.272 178.501 176.117 0.186 0.000 1.080 241 I CA 1.376 62.774 61.300 0.165 0.000 1.339 241 I CB 0.318 38.376 38.000 0.096 0.000 1.039 241 I HN 0.063 nan 8.210 nan 0.000 0.409 242 E N 0.093 120.374 120.200 0.135 0.000 2.204 242 E HA -0.207 4.144 4.350 0.000 0.000 0.194 242 E C 2.005 178.631 176.600 0.045 0.000 0.989 242 E CA 1.191 57.641 56.400 0.084 0.000 0.824 242 E CB -0.376 29.340 29.700 0.026 0.000 0.756 242 E HN 0.628 nan 8.360 nan 0.000 0.477 243 Y N -0.572 119.666 120.300 -0.104 0.000 2.145 243 Y HA -0.195 4.355 4.550 0.000 0.000 0.286 243 Y C 2.272 178.132 175.900 -0.065 0.000 1.145 243 Y CA 1.120 59.126 58.100 -0.157 0.000 1.148 243 Y CB -0.803 37.430 38.460 -0.379 0.000 0.981 243 Y HN 0.121 nan 8.280 nan 0.000 0.507 244 W N 0.634 122.110 121.300 0.294 0.000 2.358 244 W HA -0.186 4.474 4.660 0.000 0.000 0.303 244 W C 2.316 178.948 176.519 0.188 0.000 1.208 244 W CA 1.158 58.657 57.345 0.257 0.000 1.274 244 W CB -0.227 29.387 29.460 0.257 0.000 1.138 244 W HN -0.066 nan 8.180 nan 0.000 0.515 245 K N -0.035 120.574 120.400 0.348 0.000 2.032 245 K HA -0.208 4.112 4.320 0.000 0.000 0.209 245 K C 1.980 178.694 176.600 0.190 0.000 1.048 245 K CA 1.526 57.947 56.287 0.223 0.000 0.927 245 K CB -0.354 32.230 32.500 0.140 0.000 0.712 245 K HN -0.044 nan 8.250 nan 0.000 0.441 246 R N 1.289 121.877 120.500 0.146 0.000 2.115 246 R HA 0.034 4.374 4.340 0.000 0.000 0.226 246 R C 1.989 178.413 176.300 0.205 0.000 1.100 246 R CA 0.845 57.010 56.100 0.108 0.000 0.980 246 R CB -0.250 30.045 30.300 -0.009 0.000 0.875 246 R HN 0.141 nan 8.270 nan 0.000 0.445 247 I N 0.075 120.820 120.570 0.291 0.000 2.179 247 I HA -0.270 3.900 4.170 0.000 0.000 0.242 247 I C 2.264 178.653 176.117 0.453 0.000 1.088 247 I CA 1.501 63.072 61.300 0.452 0.000 1.357 247 I CB -0.375 37.895 38.000 0.450 0.000 1.051 247 I HN 0.277 nan 8.210 nan 0.000 0.409 248 A N 0.068 123.108 122.820 0.368 0.000 1.933 248 A HA -0.264 4.056 4.320 0.000 0.000 0.218 248 A C 2.325 180.037 177.584 0.214 0.000 1.175 248 A CA 2.006 54.213 52.037 0.283 0.000 0.628 248 A CB -0.611 18.527 19.000 0.230 0.000 0.814 248 A HN 0.561 nan 8.150 nan 0.000 0.444 249 E N -1.157 119.154 120.200 0.186 0.000 2.016 249 E HA -0.258 4.093 4.350 0.000 0.000 0.190 249 E C 1.954 178.610 176.600 0.093 0.000 0.985 249 E CA 1.261 57.734 56.400 0.122 0.000 0.802 249 E CB -0.416 29.346 29.700 0.103 0.000 0.762 249 E HN 0.733 nan 8.360 nan 0.000 0.448 250 H N -0.797 118.271 119.070 -0.005 0.000 2.319 250 H HA -0.163 4.393 4.556 0.000 0.000 0.299 250 H C 1.209 176.398 175.328 -0.232 0.000 1.092 250 H CA 2.314 58.258 56.048 -0.174 0.000 1.302 250 H CB -0.197 29.367 29.762 -0.329 0.000 1.373 250 H HN 0.252 nan 8.280 nan 0.000 0.497 251 Y N 0.773 121.134 120.300 0.102 0.000 2.490 251 Y HA 0.148 4.698 4.550 0.000 0.000 0.281 251 Y C 0.403 176.322 175.900 0.033 0.000 1.174 251 Y CA 0.110 58.237 58.100 0.045 0.000 1.295 251 Y CB 0.338 38.880 38.460 0.136 0.000 1.062 251 Y HN 0.026 nan 8.280 nan 0.000 0.522 252 K N 0.251 120.728 120.400 0.128 0.000 3.244 252 K HA -0.205 4.115 4.320 0.000 0.000 0.270 252 K C -0.795 175.879 176.600 0.123 0.000 1.016 252 K CA 0.468 56.812 56.287 0.094 0.000 0.754 252 K CB -2.350 30.177 32.500 0.046 0.000 1.326 252 K HN 0.403 nan 8.250 nan 0.000 0.465 253 L N 0.501 121.819 121.223 0.160 0.000 2.343 253 L HA 0.255 4.595 4.340 0.000 0.000 0.275 253 L C 1.158 178.096 176.870 0.113 0.000 1.056 253 L CA -0.861 54.068 54.840 0.147 0.000 0.804 253 L CB 0.765 42.939 42.059 0.192 0.000 1.203 253 L HN 0.048 nan 8.230 nan 0.000 0.440 254 N N 3.158 121.913 118.700 0.091 0.000 2.895 254 N HA 0.170 4.910 4.740 0.000 0.000 0.277 254 N C -1.325 174.224 175.510 0.065 0.000 1.185 254 N CA -0.171 52.925 53.050 0.077 0.000 1.106 254 N CB -0.207 38.321 38.487 0.070 0.000 1.422 254 N HN 0.331 nan 8.380 nan 0.000 0.521 255 L N 1.945 123.204 121.223 0.060 0.000 2.372 255 L HA 0.526 4.866 4.340 0.000 0.000 0.274 255 L C -0.703 176.155 176.870 -0.020 0.000 0.988 255 L CA -0.287 54.550 54.840 -0.005 0.000 0.833 255 L CB 1.677 43.778 42.059 0.068 0.000 1.236 255 L HN 0.104 nan 8.230 nan 0.000 0.410 256 T N 6.010 120.502 114.554 -0.103 0.000 2.758 256 T HA 0.498 4.849 4.350 0.000 0.000 0.285 256 T C -0.263 174.347 174.700 -0.150 0.000 0.981 256 T CA -0.318 61.752 62.100 -0.049 0.000 0.965 256 T CB 0.732 69.657 68.868 0.096 0.000 0.927 256 T HN 0.324 nan 8.240 nan 0.000 0.448 257 L N 4.656 125.840 121.223 -0.065 0.000 2.433 257 L HA 0.097 4.437 4.340 0.000 0.000 0.275 257 L C 1.770 178.606 176.870 -0.057 0.000 1.128 257 L CA 0.247 55.041 54.840 -0.075 0.000 0.875 257 L CB 0.510 42.568 42.059 -0.002 0.000 1.171 257 L HN 0.640 nan 8.230 nan 0.000 0.463 258 V N 0.853 120.716 119.914 -0.085 0.000 2.970 258 V HA 0.044 4.164 4.120 0.000 0.000 0.260 258 V C 0.542 176.629 176.094 -0.011 0.000 1.100 258 V CA 1.209 63.503 62.300 -0.010 0.000 1.122 258 V CB -1.396 30.434 31.823 0.013 0.000 0.721 258 V HN 1.018 nan 8.190 nan 0.000 0.483 259 N N -0.723 117.947 118.700 -0.050 0.000 2.710 259 N HA 0.380 5.120 4.740 0.000 0.000 0.257 259 N C -0.927 174.511 175.510 -0.120 0.000 1.327 259 N CA -0.075 52.923 53.050 -0.087 0.000 0.861 259 N CB 1.195 39.604 38.487 -0.129 0.000 1.532 259 N HN 0.111 nan 8.380 nan 0.000 0.499 260 D N -0.880 119.441 120.400 -0.132 0.000 2.593 260 D HA 0.066 4.707 4.640 0.000 0.000 0.241 260 D C -0.598 175.587 176.300 -0.191 0.000 1.257 260 D CA -0.142 53.790 54.000 -0.113 0.000 0.828 260 D CB 0.041 40.811 40.800 -0.050 0.000 1.049 260 D HN 0.402 nan 8.370 nan 0.000 0.490 261 Q N 0.490 120.070 119.800 -0.365 0.000 2.332 261 Q HA 0.289 4.629 4.340 0.000 0.000 0.263 261 Q C -0.327 175.412 176.000 -0.435 0.000 0.979 261 Q CA -0.073 55.452 55.803 -0.463 0.000 0.885 261 Q CB 2.280 30.505 28.738 -0.854 0.000 1.218 261 Q HN 0.074 nan 8.270 nan 0.000 0.405 262 V N 3.500 123.256 119.914 -0.262 0.000 2.409 262 V HA 0.318 4.438 4.120 0.000 0.000 0.290 262 V C -0.633 175.334 176.094 -0.212 0.000 1.017 262 V CA -0.696 61.454 62.300 -0.251 0.000 0.841 262 V CB 1.905 33.611 31.823 -0.196 0.000 1.003 262 V HN 0.652 nan 8.190 nan 0.000 0.426 263 D N 3.138 123.365 120.400 -0.288 0.000 2.891 263 D HA 0.270 4.911 4.640 0.000 0.000 0.224 263 D C 0.360 176.348 176.300 -0.520 0.000 1.321 263 D CA -0.412 53.449 54.000 -0.231 0.000 0.929 263 D CB 2.535 43.328 40.800 -0.012 0.000 1.551 263 D HN 0.484 nan 8.370 nan 0.000 0.574 264 Q N 0.830 120.438 119.800 -0.320 0.000 2.472 264 Q HA -0.005 4.335 4.340 0.000 0.000 0.208 264 Q C 1.543 177.519 176.000 -0.041 0.000 0.958 264 Q CA 1.121 56.778 55.803 -0.244 0.000 0.932 264 Q CB 0.360 29.065 28.738 -0.056 0.000 1.007 264 Q HN 0.608 nan 8.270 nan 0.000 0.508 265 T N -3.601 110.920 114.554 -0.055 0.000 3.065 265 T HA 0.021 4.371 4.350 0.000 0.000 0.252 265 T C 0.457 175.223 174.700 0.111 0.000 1.099 265 T CA -0.297 61.834 62.100 0.053 0.000 1.063 265 T CB -0.195 68.680 68.868 0.012 0.000 0.948 265 T HN 0.243 nan 8.240 nan 0.000 0.506 266 F N 1.885 121.751 119.950 -0.140 0.000 3.090 266 F HA -0.280 4.247 4.527 0.000 0.000 0.282 266 F C 1.638 177.085 175.800 -0.589 0.000 0.923 266 F CA 0.577 58.320 58.000 -0.428 0.000 0.977 266 F CB -1.854 36.885 39.000 -0.436 0.000 0.954 266 F HN 0.370 nan 8.300 nan 0.000 0.695 267 R N 0.895 121.296 120.500 -0.166 0.000 2.193 267 R HA -0.093 4.248 4.340 0.000 0.000 0.229 267 R C 1.278 177.501 176.300 -0.127 0.000 1.110 267 R CA 1.254 57.286 56.100 -0.112 0.000 0.988 267 R CB -0.590 29.701 30.300 -0.014 0.000 0.871 267 R HN 0.404 nan 8.270 nan 0.000 0.458 271 L N 1.872 123.100 121.223 0.008 0.000 2.453 271 L HA 0.095 4.435 4.340 0.000 0.000 0.272 271 L C 0.748 177.589 176.870 -0.048 0.000 1.182 271 L CA 0.231 55.031 54.840 -0.067 0.000 0.858 271 L CB 0.270 42.262 42.059 -0.111 0.000 1.120 271 L HN 0.635 nan 8.230 nan 0.000 0.474 272 D N 1.724 122.070 120.400 -0.091 0.000 2.380 272 D HA -0.007 4.633 4.640 0.000 0.000 0.254 272 D C 1.121 177.385 176.300 -0.061 0.000 1.288 272 D CA -0.218 53.731 54.000 -0.085 0.000 1.008 272 D CB 0.809 41.534 40.800 -0.124 0.000 1.099 272 D HN 0.491 nan 8.370 nan 0.000 0.537 273 K N 0.047 120.418 120.400 -0.049 0.000 2.152 273 K HA -0.166 4.154 4.320 0.000 0.000 0.206 273 K C 0.737 177.343 176.600 0.009 0.000 1.048 273 K CA 1.476 57.753 56.287 -0.016 0.000 0.933 273 K CB -0.157 32.330 32.500 -0.023 0.000 0.721 273 K HN 0.324 nan 8.250 nan 0.000 0.447 274 D N -0.379 120.010 120.400 -0.018 0.000 2.328 274 D HA 0.082 4.722 4.640 0.000 0.000 0.221 274 D C 1.127 177.407 176.300 -0.033 0.000 1.072 274 D CA 0.520 54.526 54.000 0.010 0.000 0.850 274 D CB 0.354 41.145 40.800 -0.016 0.000 0.922 274 D HN 0.453 nan 8.370 nan 0.000 0.516 275 G N -0.255 108.454 108.800 -0.152 0.000 2.179 275 G HA2 -0.198 3.762 3.960 0.000 0.000 0.260 275 G HA3 -0.198 3.762 3.960 0.000 0.000 0.260 275 G C 0.550 175.240 174.900 -0.349 0.000 0.977 275 G CA 0.217 45.011 45.100 -0.510 0.000 0.641 275 G HN 0.831 nan 8.290 nan 0.000 0.533 276 A N -0.146 122.552 122.820 -0.204 0.000 2.332 276 A HA 0.706 5.026 4.320 0.000 0.000 0.258 276 A C 0.618 178.101 177.584 -0.168 0.000 1.087 276 A CA -0.170 51.768 52.037 -0.165 0.000 0.802 276 A CB 0.344 19.266 19.000 -0.130 0.000 1.042 276 A HN 0.770 nan 8.150 nan 0.000 0.489 277 I N 1.777 122.251 120.570 -0.161 0.000 2.308 277 I HA 0.293 4.463 4.170 0.000 0.000 0.293 277 I C 0.738 176.726 176.117 -0.214 0.000 1.078 277 I CA 0.277 61.469 61.300 -0.181 0.000 1.292 277 I CB -0.055 37.843 38.000 -0.170 0.000 1.423 277 I HN 0.761 nan 8.210 nan 0.000 0.493 281 C N 1.867 121.167 119.300 -0.000 0.000 2.430 281 C HA 0.103 4.563 4.460 0.000 0.000 0.288 281 C C 1.728 176.690 174.990 -0.047 0.000 1.448 281 C CA 0.683 59.686 59.018 -0.025 0.000 1.784 281 C CB -1.579 26.140 27.740 -0.035 0.000 1.776 281 C HN 0.522 nan 8.230 nan 0.000 0.547 282 S N -0.374 115.296 115.700 -0.050 0.000 2.593 282 S HA 0.216 4.686 4.470 0.000 0.000 0.236 282 S C 0.357 174.920 174.600 -0.062 0.000 0.991 282 S CA 0.293 58.453 58.200 -0.066 0.000 0.963 282 S CB -0.353 62.798 63.200 -0.081 0.000 0.865 282 S HN 0.587 nan 8.310 nan 0.000 0.488 283 S N 1.083 116.746 115.700 -0.062 0.000 2.438 283 S HA 0.338 4.808 4.470 0.000 0.000 0.293 283 S C 0.880 175.443 174.600 -0.062 0.000 1.141 283 S CA -0.541 57.619 58.200 -0.066 0.000 1.080 283 S CB 0.957 64.106 63.200 -0.086 0.000 0.978 283 S HN 0.415 nan 8.310 nan 0.000 0.479 284 E N 2.693 122.859 120.200 -0.058 0.000 2.097 284 E HA -0.163 4.187 4.350 0.000 0.000 0.196 284 E C 1.826 178.390 176.600 -0.061 0.000 1.000 284 E CA 1.693 58.058 56.400 -0.057 0.000 0.804 284 E CB -0.207 29.464 29.700 -0.050 0.000 0.740 284 E HN 0.834 nan 8.360 nan 0.000 0.454 285 C N 1.113 120.382 119.300 -0.051 0.000 2.436 285 C HA -0.033 4.427 4.460 0.000 0.000 0.277 285 C C 1.828 176.795 174.990 -0.039 0.000 1.241 285 C CA 0.257 59.251 59.018 -0.041 0.000 1.721 285 C CB -1.011 26.712 27.740 -0.029 0.000 2.043 285 C HN 0.443 nan 8.230 nan 0.000 0.472 289 G N 0.530 109.024 108.800 -0.510 0.000 2.414 289 G HA2 0.018 3.978 3.960 0.000 0.000 0.215 289 G HA3 0.018 3.978 3.960 0.000 0.000 0.215 289 G C 1.437 176.308 174.900 -0.049 0.000 1.188 289 G CA 1.552 46.548 45.100 -0.173 0.000 0.783 289 G HN 0.733 nan 8.290 nan 0.000 0.537 290 L N 0.517 121.717 121.223 -0.038 0.000 2.093 290 L HA 0.165 4.505 4.340 0.000 0.000 0.208 290 L C 2.672 179.531 176.870 -0.018 0.000 1.085 290 L CA 1.212 56.041 54.840 -0.018 0.000 0.755 290 L CB -0.447 41.584 42.059 -0.047 0.000 0.904 290 L HN 0.193 nan 8.230 nan 0.000 0.435 291 L N -0.604 120.585 121.223 -0.057 0.000 2.131 291 L HA -0.182 4.158 4.340 0.000 0.000 0.210 291 L C 2.520 179.368 176.870 -0.036 0.000 1.092 291 L CA 1.100 55.911 54.840 -0.048 0.000 0.759 291 L CB -0.779 41.238 42.059 -0.069 0.000 0.903 291 L HN 0.380 nan 8.230 nan 0.000 0.435 292 A N -0.510 122.282 122.820 -0.048 0.000 2.121 292 A HA -0.041 4.279 4.320 0.000 0.000 0.218 292 A C 1.904 179.480 177.584 -0.013 0.000 1.154 292 A CA 1.000 53.018 52.037 -0.031 0.000 0.679 292 A CB -0.341 18.642 19.000 -0.029 0.000 0.795 292 A HN 0.448 nan 8.150 nan 0.000 0.458 293 L N -0.657 120.573 121.223 0.011 0.000 2.769 293 L HA 0.113 4.453 4.340 0.000 0.000 0.240 293 L C 2.172 179.054 176.870 0.020 0.000 1.163 293 L CA 0.128 54.980 54.840 0.020 0.000 0.962 293 L CB -0.059 42.075 42.059 0.124 0.000 1.258 293 L HN 0.513 nan 8.230 nan 0.000 0.513 294 R N -0.848 119.666 120.500 0.024 0.000 2.193 294 R HA -0.129 4.211 4.340 0.000 0.000 0.229 294 R C 0.745 177.041 176.300 -0.006 0.000 1.110 294 R CA 1.366 57.495 56.100 0.047 0.000 0.988 294 R CB -0.331 29.980 30.300 0.018 0.000 0.871 294 R HN 0.166 nan 8.270 nan 0.000 0.458 295 D N 1.192 121.551 120.400 -0.068 0.000 2.312 295 D HA -0.044 4.596 4.640 0.000 0.000 0.211 295 D C 1.217 177.395 176.300 -0.203 0.000 0.964 295 D CA 0.890 54.830 54.000 -0.100 0.000 0.877 295 D CB 0.054 40.801 40.800 -0.087 0.000 0.924 295 D HN 0.347 nan 8.370 nan 0.000 0.515 296 K N -0.426 119.743 120.400 -0.384 0.000 2.365 296 K HA 0.007 4.327 4.320 0.000 0.000 0.199 296 K C -0.069 176.017 176.600 -0.857 0.000 1.045 296 K CA 0.496 56.348 56.287 -0.725 0.000 0.962 296 K CB 0.257 32.077 32.500 -1.133 0.000 0.759 296 K HN 0.113 nan 8.250 nan 0.000 0.469 297 F N 0.022 119.924 119.950 -0.079 0.000 2.563 297 F HA 0.197 4.724 4.527 0.000 0.000 0.316 297 F C 0.970 176.723 175.800 -0.078 0.000 1.076 297 F CA -1.317 56.625 58.000 -0.097 0.000 0.921 297 F CB 1.275 40.182 39.000 -0.155 0.000 1.209 297 F HN -0.235 nan 8.300 nan 0.000 0.462 298 D N 0.852 121.324 120.400 0.119 0.000 2.182 298 D HA -0.068 4.572 4.640 0.000 0.000 0.201 298 D C 0.111 176.442 176.300 0.052 0.000 0.986 298 D CA 1.784 55.821 54.000 0.062 0.000 0.847 298 D CB 0.323 41.153 40.800 0.051 0.000 0.942 298 D HN 0.255 nan 8.370 nan 0.000 0.467 299 L N -1.364 119.879 121.223 0.033 0.000 2.591 299 L HA 0.540 4.880 4.340 0.000 0.000 0.257 299 L C -2.043 174.655 176.870 -0.286 0.000 0.935 299 L CA -0.520 54.286 54.840 -0.056 0.000 0.873 299 L CB 1.942 43.995 42.059 -0.010 0.000 1.397 299 L HN -0.106 nan 8.230 nan 0.000 0.414 300 A N 2.631 125.226 122.820 -0.375 0.000 2.566 300 A HA 0.988 5.308 4.320 0.000 0.000 0.292 300 A C -1.641 175.571 177.584 -0.619 0.000 1.112 300 A CA -0.306 51.273 52.037 -0.764 0.000 0.707 300 A CB 1.415 20.103 19.000 -0.520 0.000 1.302 300 A HN 1.019 nan 8.150 nan 0.000 0.409 301 F N -2.553 117.198 119.950 -0.332 0.000 2.831 301 F HA 0.942 5.469 4.527 0.000 0.000 0.318 301 F C -0.219 175.415 175.800 -0.277 0.000 1.174 301 F CA -0.837 57.001 58.000 -0.270 0.000 0.918 301 F CB 1.068 39.922 39.000 -0.244 0.000 1.364 301 F HN 1.360 nan 8.300 nan 0.000 0.475 302 A N 0.645 123.535 122.820 0.116 0.000 2.610 302 A HA 0.819 5.139 4.320 0.000 0.000 0.291 302 A C -2.075 175.495 177.584 -0.022 0.000 1.086 302 A CA -0.935 51.111 52.037 0.017 0.000 0.677 302 A CB 1.778 20.773 19.000 -0.010 0.000 1.278 302 A HN 0.922 nan 8.150 nan 0.000 0.414 303 N N 0.188 118.796 118.700 -0.153 0.000 2.329 303 N HA 0.520 5.260 4.740 0.000 0.000 0.282 303 N C -1.597 173.767 175.510 -0.243 0.000 1.198 303 N CA -0.770 52.064 53.050 -0.360 0.000 0.790 303 N CB 1.754 39.582 38.487 -1.097 0.000 1.579 303 N HN 0.802 nan 8.380 nan 0.000 0.475 304 D N 0.055 120.379 120.400 -0.126 0.000 2.398 304 D HA 0.186 4.826 4.640 0.000 0.000 0.247 304 D C -1.938 174.439 176.300 0.129 0.000 1.227 304 D CA -1.609 52.404 54.000 0.021 0.000 0.980 304 D CB -0.043 40.781 40.800 0.040 0.000 1.106 304 D HN 0.195 nan 8.370 nan 0.000 0.493 305 P HA -0.119 nan 4.420 nan 0.000 0.218 305 P C 0.598 178.056 177.300 0.264 0.000 1.148 305 P CA 1.464 64.712 63.100 0.246 0.000 0.822 305 P CB 0.006 31.814 31.700 0.181 0.000 0.784 306 D N -3.369 117.136 120.400 0.175 0.000 2.355 306 D HA -0.126 4.514 4.640 0.000 0.000 0.218 306 D C 0.145 176.543 176.300 0.163 0.000 1.004 306 D CA -0.053 54.011 54.000 0.108 0.000 0.880 306 D CB -1.021 39.790 40.800 0.019 0.000 0.911 306 D HN 0.126 nan 8.370 nan 0.000 0.528 307 Y N 0.879 121.152 120.300 -0.045 0.000 3.825 307 Y HA -0.232 4.318 4.550 0.000 0.000 0.221 307 Y C 0.897 176.765 175.900 -0.054 0.000 1.195 307 Y CA 0.387 58.459 58.100 -0.048 0.000 1.699 307 Y CB -2.192 36.178 38.460 -0.150 0.000 1.531 307 Y HN 0.316 nan 8.280 nan 0.000 0.640 308 D N -1.118 119.296 120.400 0.023 0.000 2.360 308 D HA 0.108 4.748 4.640 0.000 0.000 0.210 308 D C 0.741 177.039 176.300 -0.003 0.000 1.047 308 D CA 0.307 54.292 54.000 -0.025 0.000 0.854 308 D CB 0.295 41.039 40.800 -0.095 0.000 0.936 308 D HN 0.417 nan 8.370 nan 0.000 0.514 309 R N -0.228 120.272 120.500 0.001 0.000 2.930 309 R HA 0.454 4.794 4.340 0.000 0.000 0.257 309 R C -0.372 175.957 176.300 0.049 0.000 1.107 309 R CA -0.813 55.297 56.100 0.016 0.000 0.999 309 R CB 1.636 31.893 30.300 -0.071 0.000 1.209 309 R HN 0.257 nan 8.270 nan 0.000 0.486 310 H N -1.689 117.377 119.070 -0.007 0.000 2.930 310 H HA 0.574 5.130 4.556 0.000 0.000 0.371 310 H C -1.078 174.238 175.328 -0.020 0.000 1.169 310 H CA -1.089 54.947 56.048 -0.020 0.000 1.157 310 H CB 2.124 31.889 29.762 0.004 0.000 1.789 310 H HN 0.775 nan 8.280 nan 0.000 0.547 311 G N 2.261 111.072 108.800 0.018 0.000 2.590 311 G HA2 0.496 4.456 3.960 0.000 0.000 0.310 311 G HA3 0.496 4.456 3.960 0.000 0.000 0.310 311 G C -0.985 173.922 174.900 0.011 0.000 1.347 311 G CA -0.666 44.416 45.100 -0.030 0.000 0.963 311 G HN 0.466 nan 8.290 nan 0.000 0.494 312 I N 2.699 123.238 120.570 -0.051 0.000 2.362 312 I HA 0.346 4.516 4.170 0.000 0.000 0.289 312 I C -0.143 175.941 176.117 -0.055 0.000 0.994 312 I CA -0.992 60.261 61.300 -0.077 0.000 1.158 312 I CB 1.205 39.024 38.000 -0.302 0.000 1.315 312 I HN 0.040 nan 8.210 nan 0.000 0.451 313 V N 5.966 125.854 119.914 -0.045 0.000 2.547 313 V HA 0.670 4.790 4.120 0.000 0.000 0.299 313 V C 0.474 176.551 176.094 -0.027 0.000 1.040 313 V CA -0.317 61.957 62.300 -0.044 0.000 0.913 313 V CB 2.141 33.926 31.823 -0.063 0.000 0.992 313 V HN 0.957 nan 8.190 nan 0.000 0.449 314 T N 1.834 116.387 114.554 -0.001 0.000 2.831 314 T HA 0.508 4.859 4.350 0.000 0.000 0.287 314 T C -2.442 172.269 174.700 0.019 0.000 1.070 314 T CA -2.048 60.063 62.100 0.018 0.000 1.010 314 T CB 2.056 70.946 68.868 0.037 0.000 1.264 314 T HN 0.325 nan 8.240 nan 0.000 0.532 315 P HA 0.124 nan 4.420 nan 0.000 0.225 315 P C 1.198 178.504 177.300 0.011 0.000 1.148 315 P CA 0.812 63.918 63.100 0.011 0.000 0.779 315 P CB -0.251 31.452 31.700 0.004 0.000 0.780 316 A N -1.222 121.611 122.820 0.021 0.000 2.167 316 A HA 0.456 4.776 4.320 0.000 0.000 0.214 316 A C 1.234 178.829 177.584 0.018 0.000 1.151 316 A CA 1.170 53.222 52.037 0.025 0.000 0.735 316 A CB -0.763 18.263 19.000 0.043 0.000 0.802 316 A HN 0.335 nan 8.150 nan 0.000 0.467 317 G N -1.897 106.909 108.800 0.009 0.000 2.298 317 G HA2 0.245 4.205 3.960 0.000 0.000 0.309 317 G HA3 0.245 4.205 3.960 0.000 0.000 0.309 317 G C -0.735 174.158 174.900 -0.012 0.000 1.279 317 G CA -0.290 44.807 45.100 -0.004 0.000 1.042 317 G HN 0.890 nan 8.290 nan 0.000 0.480 321 P HA -0.042 nan 4.420 nan 0.000 0.215 321 P C 1.143 178.472 177.300 0.047 0.000 1.153 321 P CA 1.023 64.117 63.100 -0.009 0.000 0.853 321 P CB 0.336 32.007 31.700 -0.048 0.000 0.788 322 N N -1.088 117.581 118.700 -0.052 0.000 2.104 322 N HA -0.183 4.557 4.740 0.000 0.000 0.190 322 N C 1.754 177.334 175.510 0.118 0.000 1.024 322 N CA 1.288 54.352 53.050 0.024 0.000 0.853 322 N CB -0.777 37.681 38.487 -0.049 0.000 1.008 322 N HN 0.443 nan 8.380 nan 0.000 0.424 323 H N -1.701 117.260 119.070 -0.183 0.000 2.321 323 H HA -0.163 4.393 4.556 0.000 0.000 0.300 323 H C 1.692 176.995 175.328 -0.041 0.000 1.087 323 H CA 1.183 56.964 56.048 -0.445 0.000 1.319 323 H CB -0.116 29.078 29.762 -0.947 0.000 1.379 323 H HN 0.238 nan 8.280 nan 0.000 0.501 324 Y N 1.745 122.093 120.300 0.079 0.000 2.242 324 Y HA -0.167 4.383 4.550 0.000 0.000 0.291 324 Y C 2.246 178.240 175.900 0.157 0.000 1.137 324 Y CA 0.816 58.995 58.100 0.132 0.000 1.181 324 Y CB -0.445 38.111 38.460 0.160 0.000 0.989 324 Y HN 0.067 nan 8.280 nan 0.000 0.527 325 L N -0.523 120.757 121.223 0.094 0.000 1.989 325 L HA -0.281 4.059 4.340 0.000 0.000 0.211 325 L C 2.776 179.566 176.870 -0.135 0.000 1.071 325 L CA 1.418 56.278 54.840 0.032 0.000 0.749 325 L CB -1.168 40.999 42.059 0.180 0.000 0.890 325 L HN 0.312 nan 8.230 nan 0.000 0.431 326 A N -0.361 122.461 122.820 0.003 0.000 1.908 326 A HA -0.168 4.152 4.320 0.000 0.000 0.218 326 A C 2.327 179.891 177.584 -0.034 0.000 1.181 326 A CA 1.967 54.012 52.037 0.012 0.000 0.627 326 A CB -0.865 18.247 19.000 0.187 0.000 0.818 326 A HN 0.220 nan 8.150 nan 0.000 0.445 327 V N -0.220 119.698 119.914 0.006 0.000 2.295 327 V HA -0.240 3.880 4.120 0.000 0.000 0.246 327 V C 3.073 179.038 176.094 -0.217 0.000 1.049 327 V CA 1.913 64.198 62.300 -0.025 0.000 1.024 327 V CB -1.289 30.586 31.823 0.086 0.000 0.648 327 V HN 0.634 nan 8.190 nan 0.000 0.447 328 A N -0.029 122.504 122.820 -0.478 0.000 1.892 328 A HA -0.232 4.088 4.320 0.000 0.000 0.218 328 A C 2.184 179.532 177.584 -0.394 0.000 1.188 328 A CA 2.254 53.981 52.037 -0.517 0.000 0.631 328 A CB -0.597 18.042 19.000 -0.601 0.000 0.822 328 A HN 0.509 nan 8.150 nan 0.000 0.447 329 I N -0.273 119.990 120.570 -0.512 0.000 2.142 329 I HA -0.275 3.895 4.170 0.000 0.000 0.240 329 I C 2.536 178.625 176.117 -0.046 0.000 1.078 329 I CA 1.541 62.608 61.300 -0.389 0.000 1.343 329 I CB -0.472 37.224 38.000 -0.507 0.000 1.046 329 I HN 0.512 nan 8.210 nan 0.000 0.405 330 N N 0.291 118.952 118.700 -0.064 0.000 2.094 330 N HA -0.295 4.445 4.740 0.000 0.000 0.191 330 N C 2.150 177.700 175.510 0.066 0.000 1.023 330 N CA 1.888 54.953 53.050 0.026 0.000 0.857 330 N CB -0.083 38.439 38.487 0.058 0.000 1.013 330 N HN 0.381 nan 8.380 nan 0.000 0.426 331 Y N 1.355 121.594 120.300 -0.102 0.000 2.153 331 Y HA -0.032 4.518 4.550 0.000 0.000 0.289 331 Y C 2.396 178.247 175.900 -0.081 0.000 1.127 331 Y CA 1.100 59.129 58.100 -0.118 0.000 1.131 331 Y CB -0.478 37.781 38.460 -0.335 0.000 0.995 331 Y HN -0.010 nan 8.280 nan 0.000 0.505 332 L N -0.868 120.280 121.223 -0.125 0.000 2.012 332 L HA -0.261 4.079 4.340 0.000 0.000 0.210 332 L C 2.123 178.677 176.870 -0.528 0.000 1.073 332 L CA 1.631 56.220 54.840 -0.419 0.000 0.748 332 L CB -0.655 41.135 42.059 -0.448 0.000 0.891 332 L HN 0.214 nan 8.230 nan 0.000 0.431 333 F N -0.516 119.320 119.950 -0.189 0.000 2.604 333 F HA -0.118 4.409 4.527 0.000 0.000 0.298 333 F C 2.375 178.080 175.800 -0.158 0.000 1.131 333 F CA 0.791 58.734 58.000 -0.094 0.000 1.457 333 F CB -0.241 38.763 39.000 0.006 0.000 1.095 333 F HN 0.152 nan 8.300 nan 0.000 0.574 334 Q N -1.602 118.134 119.800 -0.107 0.000 2.356 334 Q HA 0.029 4.370 4.340 0.000 0.000 0.205 334 Q C 0.145 175.824 176.000 -0.535 0.000 0.901 334 Q CA 0.569 56.222 55.803 -0.250 0.000 0.938 334 Q CB 0.186 28.796 28.738 -0.213 0.000 1.081 334 Q HN 0.495 nan 8.270 nan 0.000 0.517 335 H N -0.535 118.209 119.070 -0.542 0.000 2.637 335 H HA 0.284 4.840 4.556 0.000 0.000 0.245 335 H C -0.712 174.327 175.328 -0.481 0.000 1.190 335 H CA -0.203 55.517 56.048 -0.545 0.000 0.934 335 H CB 0.679 29.901 29.762 -0.901 0.000 1.950 335 H HN -0.181 nan 8.280 nan 0.000 0.614 336 R N 1.304 121.523 120.500 -0.469 0.000 2.629 336 R HA 0.175 4.515 4.340 0.000 0.000 0.275 336 R C -2.257 173.830 176.300 -0.355 0.000 1.719 336 R CA -1.508 54.217 56.100 -0.626 0.000 1.472 336 R CB 0.929 30.233 30.300 -1.659 0.000 1.237 336 R HN 0.215 nan 8.270 nan 0.000 0.589 337 P HA -0.112 nan 4.420 nan 0.000 0.218 337 P C 1.013 178.327 177.300 0.023 0.000 1.148 337 P CA 0.911 63.973 63.100 -0.063 0.000 0.822 337 P CB 0.461 32.130 31.700 -0.053 0.000 0.784 338 L N -2.692 118.568 121.223 0.061 0.000 2.554 338 L HA 0.044 4.385 4.340 0.000 0.000 0.226 338 L C 0.647 177.733 176.870 0.360 0.000 1.137 338 L CA -0.008 54.943 54.840 0.185 0.000 0.863 338 L CB -0.603 41.582 42.059 0.210 0.000 0.985 338 L HN -0.056 nan 8.230 nan 0.000 0.451 339 W N 1.897 123.207 121.300 0.017 0.000 2.247 339 W HA 0.410 5.070 4.660 0.000 0.000 0.394 339 W C 0.921 177.474 176.519 0.056 0.000 0.939 339 W CA -1.442 55.915 57.345 0.020 0.000 1.548 339 W CB -0.806 28.612 29.460 -0.070 0.000 1.610 339 W HN -0.113 nan 8.180 nan 0.000 0.336 340 G N 2.350 111.301 108.800 0.251 0.000 2.553 340 G HA2 0.128 4.088 3.960 0.000 0.000 0.278 340 G HA3 0.128 4.088 3.960 0.000 0.000 0.278 340 G C 0.961 175.961 174.900 0.166 0.000 1.349 340 G CA -0.494 44.708 45.100 0.170 0.000 1.037 340 G HN 0.435 nan 8.290 nan 0.000 0.508 341 K N -0.887 119.583 120.400 0.116 0.000 2.360 341 K HA -0.069 4.251 4.320 0.000 0.000 0.201 341 K C 0.919 177.576 176.600 0.096 0.000 1.046 341 K CA 1.641 57.988 56.287 0.100 0.000 0.945 341 K CB 0.028 32.568 32.500 0.066 0.000 0.750 341 K HN 0.420 nan 8.250 nan 0.000 0.464 342 D N 1.139 121.595 120.400 0.093 0.000 2.324 342 D HA -0.007 4.633 4.640 0.000 0.000 0.235 342 D C -0.262 176.098 176.300 0.101 0.000 1.095 342 D CA -0.123 53.925 54.000 0.081 0.000 0.871 342 D CB 0.130 40.966 40.800 0.060 0.000 0.906 342 D HN 0.026 nan 8.370 nan 0.000 0.522 343 V N 0.570 120.570 119.914 0.143 0.000 2.407 343 V HA 0.682 4.802 4.120 0.000 0.000 0.291 343 V C 0.187 176.434 176.094 0.255 0.000 1.018 343 V CA -1.012 61.391 62.300 0.172 0.000 0.842 343 V CB 1.245 33.150 31.823 0.136 0.000 0.996 343 V HN 0.345 nan 8.190 nan 0.000 0.426 344 A N 4.504 127.453 122.820 0.214 0.000 2.309 344 A HA 0.944 5.264 4.320 0.000 0.000 0.317 344 A C -0.654 176.922 177.584 -0.013 0.000 1.134 344 A CA -0.687 51.392 52.037 0.071 0.000 0.866 344 A CB 1.718 20.751 19.000 0.054 0.000 1.329 344 A HN 0.636 nan 8.150 nan 0.000 0.477 345 V N 0.762 120.517 119.914 -0.265 0.000 2.370 345 V HA 0.565 4.685 4.120 0.000 0.000 0.279 345 V C 0.883 176.756 176.094 -0.369 0.000 1.029 345 V CA -0.174 61.945 62.300 -0.302 0.000 0.870 345 V CB 0.982 32.511 31.823 -0.491 0.000 0.984 345 V HN 1.097 nan 8.190 nan 0.000 0.451 346 G N 3.552 112.084 108.800 -0.448 0.000 2.395 346 G HA2 0.578 4.539 3.960 0.000 0.000 0.283 346 G HA3 0.578 4.539 3.960 0.000 0.000 0.283 346 G C -0.620 174.200 174.900 -0.134 0.000 1.178 346 G CA -0.391 44.436 45.100 -0.454 0.000 0.837 346 G HN 0.666 nan 8.290 nan 0.000 0.518 347 K N 0.949 121.420 120.400 0.119 0.000 2.553 347 K HA 0.386 4.707 4.320 0.000 0.000 0.250 347 K C -0.056 176.669 176.600 0.208 0.000 0.953 347 K CA -0.602 55.773 56.287 0.146 0.000 0.800 347 K CB 1.653 34.148 32.500 -0.008 0.000 1.243 347 K HN 0.660 nan 8.250 nan 0.000 0.435 348 T N 1.371 116.091 114.554 0.275 0.000 2.899 348 T HA 0.159 4.509 4.350 0.000 0.000 0.295 348 T C 1.549 176.211 174.700 -0.062 0.000 1.033 348 T CA -0.761 61.388 62.100 0.082 0.000 1.084 348 T CB 0.610 69.547 68.868 0.115 0.000 0.979 348 T HN 0.691 nan 8.240 nan 0.000 0.532 349 L N 1.726 122.842 121.223 -0.179 0.000 2.552 349 L HA 0.179 4.520 4.340 0.000 0.000 0.227 349 L C 1.620 178.240 176.870 -0.417 0.000 1.146 349 L CA 0.551 55.210 54.840 -0.301 0.000 0.858 349 L CB -0.463 41.408 42.059 -0.313 0.000 0.969 349 L HN 0.623 nan 8.230 nan 0.000 0.451 350 V N -3.677 116.083 119.914 -0.256 0.000 3.596 350 V HA 0.294 4.414 4.120 0.000 0.000 0.289 350 V C 0.979 177.239 176.094 0.276 0.000 1.336 350 V CA -0.295 61.937 62.300 -0.114 0.000 1.137 350 V CB -0.576 30.945 31.823 -0.503 0.000 0.966 350 V HN 0.328 nan 8.190 nan 0.000 0.428 351 S N 0.937 116.709 115.700 0.120 0.000 2.632 351 S HA 0.400 4.870 4.470 0.000 0.000 0.267 351 S C 0.397 175.207 174.600 0.350 0.000 1.276 351 S CA 0.112 58.450 58.200 0.230 0.000 0.998 351 S CB 1.348 64.636 63.200 0.146 0.000 0.953 351 S HN 0.640 nan 8.310 nan 0.000 0.547 352 S N 1.142 117.063 115.700 0.368 0.000 2.558 352 S HA 0.336 4.806 4.470 0.000 0.000 0.293 352 S C 0.452 175.278 174.600 0.377 0.000 1.292 352 S CA -0.380 58.109 58.200 0.482 0.000 1.063 352 S CB -0.148 63.257 63.200 0.341 0.000 0.831 352 S HN 0.790 nan 8.310 nan 0.000 0.499 356 D N 2.381 122.701 120.400 -0.134 0.000 2.133 356 D HA -0.156 4.484 4.640 0.000 0.000 0.195 356 D C 2.012 178.156 176.300 -0.261 0.000 0.997 356 D CA 1.592 55.482 54.000 -0.184 0.000 0.840 356 D CB -0.155 40.547 40.800 -0.165 0.000 0.947 356 D HN 0.296 nan 8.370 nan 0.000 0.452 357 R N 0.211 120.486 120.500 -0.375 0.000 2.073 357 R HA -0.042 4.298 4.340 0.000 0.000 0.234 357 R C 2.382 178.308 176.300 -0.623 0.000 1.134 357 R CA 0.677 56.384 56.100 -0.655 0.000 0.952 357 R CB -0.540 29.067 30.300 -1.155 0.000 0.850 357 R HN 0.089 nan 8.270 nan 0.000 0.433 358 V N 0.479 120.111 119.914 -0.471 0.000 2.287 358 V HA -0.226 3.894 4.120 0.000 0.000 0.248 358 V C 2.270 178.253 176.094 -0.186 0.000 1.053 358 V CA 1.685 63.834 62.300 -0.252 0.000 1.027 358 V CB -0.251 31.481 31.823 -0.151 0.000 0.646 358 V HN 0.149 nan 8.190 nan 0.000 0.447 359 V N 0.552 120.333 119.914 -0.223 0.000 2.379 359 V HA -0.239 3.881 4.120 0.000 0.000 0.245 359 V C 2.344 178.332 176.094 -0.177 0.000 1.044 359 V CA 2.198 64.357 62.300 -0.235 0.000 1.036 359 V CB -0.903 30.754 31.823 -0.277 0.000 0.664 359 V HN 0.698 nan 8.190 nan 0.000 0.453 360 N N 0.471 119.072 118.700 -0.165 0.000 2.069 360 N HA -0.272 4.468 4.740 0.000 0.000 0.191 360 N C 1.727 177.198 175.510 -0.066 0.000 1.031 360 N CA 2.110 55.091 53.050 -0.115 0.000 0.852 360 N CB -0.143 38.272 38.487 -0.121 0.000 1.018 360 N HN 0.567 nan 8.380 nan 0.000 0.423 361 D N 0.278 120.650 120.400 -0.047 0.000 2.182 361 D HA -0.085 4.555 4.640 0.000 0.000 0.201 361 D C 1.990 178.299 176.300 0.015 0.000 0.986 361 D CA 0.858 54.882 54.000 0.040 0.000 0.847 361 D CB -0.034 40.862 40.800 0.161 0.000 0.942 361 D HN 0.339 nan 8.370 nan 0.000 0.467 362 L N -1.126 120.083 121.223 -0.023 0.000 2.509 362 L HA 0.238 4.578 4.340 0.000 0.000 0.222 362 L C 1.435 178.291 176.870 -0.023 0.000 1.123 362 L CA 0.377 55.207 54.840 -0.018 0.000 0.856 362 L CB -0.239 41.803 42.059 -0.029 0.000 0.985 362 L HN 0.249 nan 8.230 nan 0.000 0.456 363 G N 1.179 109.955 108.800 -0.040 0.000 2.225 363 G HA2 -0.227 3.733 3.960 0.000 0.000 0.264 363 G HA3 -0.227 3.733 3.960 0.000 0.000 0.264 363 G C 0.086 174.960 174.900 -0.043 0.000 1.060 363 G CA -0.088 44.991 45.100 -0.035 0.000 0.833 363 G HN 0.169 nan 8.290 nan 0.000 0.498 364 R N -0.373 120.073 120.500 -0.091 0.000 2.758 364 R HA 0.516 4.856 4.340 0.000 0.000 0.265 364 R C 0.362 176.579 176.300 -0.138 0.000 1.016 364 R CA -0.993 55.033 56.100 -0.123 0.000 1.040 364 R CB 1.039 31.175 30.300 -0.273 0.000 1.152 364 R HN 0.283 nan 8.270 nan 0.000 0.503 365 K N 1.883 122.213 120.400 -0.116 0.000 2.276 365 K HA 0.152 4.472 4.320 0.000 0.000 0.283 365 K C -0.682 175.821 176.600 -0.162 0.000 1.044 365 K CA -0.455 55.771 56.287 -0.102 0.000 0.944 365 K CB 0.610 33.085 32.500 -0.041 0.000 1.012 365 K HN 0.228 nan 8.250 nan 0.000 0.472 366 L N 5.412 126.544 121.223 -0.153 0.000 2.282 366 L HA 0.280 4.620 4.340 0.000 0.000 0.288 366 L C -1.181 175.603 176.870 -0.143 0.000 1.033 366 L CA -0.394 54.340 54.840 -0.176 0.000 0.807 366 L CB 1.653 43.613 42.059 -0.165 0.000 1.209 366 L HN 0.304 nan 8.230 nan 0.000 0.423 367 V N 5.158 124.964 119.914 -0.178 0.000 2.293 367 V HA 0.351 4.471 4.120 0.000 0.000 0.275 367 V C 0.066 176.088 176.094 -0.120 0.000 1.021 367 V CA -0.684 61.536 62.300 -0.134 0.000 0.815 367 V CB 0.829 32.562 31.823 -0.150 0.000 1.025 367 V HN 0.706 nan 8.190 nan 0.000 0.448 368 E N 3.208 123.340 120.200 -0.113 0.000 2.223 368 E HA 0.444 4.794 4.350 0.000 0.000 0.282 368 E C -0.302 176.199 176.600 -0.166 0.000 1.046 368 E CA -0.138 56.183 56.400 -0.131 0.000 0.857 368 E CB 1.925 31.527 29.700 -0.164 0.000 1.055 368 E HN 0.657 nan 8.360 nan 0.000 0.409 369 V N 1.313 121.112 119.914 -0.192 0.000 3.103 369 V HA 0.657 4.777 4.120 0.000 0.000 0.318 369 V C -2.693 173.111 176.094 -0.483 0.000 1.114 369 V CA -2.678 59.394 62.300 -0.380 0.000 1.020 369 V CB 1.586 33.184 31.823 -0.374 0.000 1.085 369 V HN 0.438 nan 8.190 nan 0.000 0.446 370 P HA 0.240 nan 4.420 nan 0.000 0.275 370 P C -0.386 176.731 177.300 -0.305 0.000 1.270 370 P CA -0.331 62.423 63.100 -0.576 0.000 0.791 370 P CB 0.261 31.520 31.700 -0.734 0.000 1.089 371 V N 0.179 120.038 119.914 -0.091 0.000 2.617 371 V HA 0.369 4.489 4.120 0.000 0.000 0.304 371 V C 0.919 177.157 176.094 0.239 0.000 1.040 371 V CA 1.652 63.983 62.300 0.053 0.000 1.149 371 V CB -0.972 30.882 31.823 0.052 0.000 0.914 371 V HN 1.004 nan 8.190 nan 0.000 0.487 372 G N 3.864 112.801 108.800 0.228 0.000 2.697 372 G HA2 -0.101 3.859 3.960 0.000 0.000 0.684 372 G HA3 -0.101 3.859 3.960 0.000 0.000 0.684 372 G C -0.488 174.521 174.900 0.183 0.000 1.274 372 G CA -0.221 45.019 45.100 0.233 0.000 0.806 372 G HN 0.652 nan 8.290 nan 0.000 0.644 373 F N 2.155 122.146 119.950 0.068 0.000 2.293 373 F HA -0.022 4.505 4.527 0.000 0.000 0.300 373 F C 2.787 178.557 175.800 -0.050 0.000 1.086 373 F CA 2.177 60.248 58.000 0.118 0.000 1.375 373 F CB 0.143 39.244 39.000 0.169 0.000 1.045 373 F HN 0.706 nan 8.300 nan 0.000 0.516 374 K N -0.542 119.778 120.400 -0.133 0.000 2.228 374 K HA -0.263 4.057 4.320 0.000 0.000 0.205 374 K C 1.637 177.922 176.600 -0.525 0.000 1.045 374 K CA 2.191 58.263 56.287 -0.359 0.000 0.931 374 K CB -1.338 30.846 32.500 -0.527 0.000 0.727 374 K HN 0.450 nan 8.250 nan 0.000 0.458 375 W N -0.115 120.946 121.300 -0.398 0.000 2.699 375 W HA 0.083 4.743 4.660 0.000 0.000 0.249 375 W C 0.974 177.273 176.519 -0.367 0.000 1.280 375 W CA -0.301 56.795 57.345 -0.415 0.000 1.345 375 W CB -0.043 29.117 29.460 -0.501 0.000 1.128 375 W HN -0.000 nan 8.180 nan 0.000 0.642 376 F N -1.678 118.238 119.950 -0.057 0.000 2.746 376 F HA 0.054 4.581 4.527 0.000 0.000 0.297 376 F C 1.955 177.663 175.800 -0.154 0.000 1.113 376 F CA -0.291 57.689 58.000 -0.033 0.000 1.367 376 F CB -1.184 37.578 39.000 -0.397 0.000 1.111 376 F HN -0.310 nan 8.300 nan 0.000 0.590 377 V N 0.417 120.287 119.914 -0.074 0.000 2.255 377 V HA -0.298 3.822 4.120 0.000 0.000 0.247 377 V C 2.009 178.095 176.094 -0.013 0.000 1.051 377 V CA 2.241 64.531 62.300 -0.017 0.000 1.018 377 V CB -0.440 31.357 31.823 -0.044 0.000 0.641 377 V HN 0.199 nan 8.190 nan 0.000 0.445 378 D N 0.445 120.793 120.400 -0.088 0.000 2.144 378 D HA -0.080 4.560 4.640 0.000 0.000 0.200 378 D C 2.178 178.399 176.300 -0.132 0.000 0.978 378 D CA 1.570 55.526 54.000 -0.074 0.000 0.833 378 D CB -0.512 40.226 40.800 -0.103 0.000 0.961 378 D HN 0.490 nan 8.370 nan 0.000 0.470 379 G N 0.484 109.029 108.800 -0.425 0.000 2.403 379 G HA2 -0.127 3.833 3.960 0.000 0.000 0.216 379 G HA3 -0.127 3.833 3.960 0.000 0.000 0.216 379 G C 1.790 176.546 174.900 -0.239 0.000 1.154 379 G CA 0.052 44.703 45.100 -0.747 0.000 0.784 379 G HN 0.222 nan 8.290 nan 0.000 0.538 380 L N -0.750 120.456 121.223 -0.028 0.000 2.056 380 L HA 0.039 4.379 4.340 0.000 0.000 0.207 380 L C 2.516 179.418 176.870 0.053 0.000 1.078 380 L CA 0.872 55.753 54.840 0.069 0.000 0.749 380 L CB -0.363 41.779 42.059 0.138 0.000 0.901 380 L HN 0.234 nan 8.230 nan 0.000 0.433 381 F N 1.872 121.783 119.950 -0.065 0.000 2.134 381 F HA -0.252 4.275 4.527 0.000 0.000 0.299 381 F C 2.116 177.880 175.800 -0.060 0.000 1.097 381 F CA 1.926 59.893 58.000 -0.055 0.000 1.264 381 F CB -0.152 38.814 39.000 -0.058 0.000 1.001 381 F HN 0.332 nan 8.300 nan 0.000 0.479 382 D N -1.383 118.958 120.400 -0.099 0.000 2.349 382 D HA 0.176 4.816 4.640 0.000 0.000 0.214 382 D C 1.709 177.925 176.300 -0.141 0.000 1.063 382 D CA 0.774 54.673 54.000 -0.168 0.000 0.847 382 D CB -0.227 40.534 40.800 -0.065 0.000 0.933 382 D HN 0.392 nan 8.370 nan 0.000 0.513 383 G N 0.264 108.988 108.800 -0.127 0.000 2.176 383 G HA2 -0.351 3.609 3.960 0.000 0.000 0.253 383 G HA3 -0.351 3.609 3.960 0.000 0.000 0.253 383 G C 1.176 176.032 174.900 -0.074 0.000 0.979 383 G CA 0.749 45.777 45.100 -0.120 0.000 0.641 383 G HN 0.655 nan 8.290 nan 0.000 0.530 384 S N -1.025 114.649 115.700 -0.044 0.000 2.489 384 S HA 0.414 4.884 4.470 0.000 0.000 0.228 384 S C 0.603 175.387 174.600 0.307 0.000 0.995 384 S CA 0.353 58.588 58.200 0.058 0.000 0.934 384 S CB 0.117 63.322 63.200 0.008 0.000 0.771 384 S HN 0.355 nan 8.310 nan 0.000 0.522 385 F N 1.796 121.735 119.950 -0.019 0.000 2.426 385 F HA 0.677 5.204 4.527 0.000 0.000 0.348 385 F C 1.346 177.086 175.800 -0.100 0.000 1.124 385 F CA -1.916 56.087 58.000 0.005 0.000 1.008 385 F CB 1.233 40.258 39.000 0.042 0.000 1.139 385 F HN 0.111 nan 8.300 nan 0.000 0.452 386 G N 2.496 111.348 108.800 0.088 0.000 2.551 386 G HA2 0.005 3.966 3.960 0.000 0.000 0.216 386 G HA3 0.005 3.966 3.960 0.000 0.000 0.216 386 G C -0.443 174.417 174.900 -0.067 0.000 1.137 386 G CA 0.449 45.289 45.100 -0.433 0.000 0.798 386 G HN 0.417 nan 8.290 nan 0.000 0.536 387 F N -0.677 119.315 119.950 0.070 0.000 2.654 387 F HA 0.553 5.080 4.527 0.000 0.000 0.314 387 F C -0.754 174.943 175.800 -0.172 0.000 1.116 387 F CA -0.676 57.389 58.000 0.109 0.000 1.017 387 F CB 1.526 40.689 39.000 0.272 0.000 1.285 387 F HN 0.123 nan 8.300 nan 0.000 0.448 388 G N 2.437 110.819 108.800 -0.695 0.000 2.741 388 G HA2 0.608 4.568 3.960 0.000 0.000 0.293 388 G HA3 0.608 4.568 3.960 0.000 0.000 0.293 388 G C -1.466 172.856 174.900 -0.964 0.000 1.457 388 G CA -0.418 43.875 45.100 -1.345 0.000 1.098 388 G HN 1.050 nan 8.290 nan 0.000 0.536 389 G N 0.364 108.850 108.800 -0.523 0.000 2.642 389 G HA2 0.723 4.683 3.960 0.000 0.000 0.293 389 G HA3 0.723 4.683 3.960 0.000 0.000 0.293 389 G C -1.090 174.026 174.900 0.361 0.000 1.341 389 G CA -0.710 44.436 45.100 0.076 0.000 0.916 389 G HN 0.563 nan 8.290 nan 0.000 0.474 390 E N 0.041 120.475 120.200 0.389 0.000 2.207 390 E HA 0.195 4.545 4.350 0.000 0.000 0.270 390 E C 0.374 177.114 176.600 0.233 0.000 0.927 390 E CA -0.768 55.836 56.400 0.339 0.000 0.799 390 E CB 2.250 32.145 29.700 0.324 0.000 1.172 390 E HN 0.628 nan 8.360 nan 0.000 0.404 391 E N 1.140 121.457 120.200 0.195 0.000 2.401 391 E HA -0.138 4.212 4.350 0.000 0.000 0.199 391 E C 0.969 177.623 176.600 0.091 0.000 1.023 391 E CA 0.926 57.401 56.400 0.124 0.000 0.859 391 E CB -0.188 29.578 29.700 0.110 0.000 0.780 391 E HN 0.364 nan 8.360 nan 0.000 0.523 392 S N -0.095 115.674 115.700 0.116 0.000 2.701 392 S HA 0.485 4.955 4.470 0.000 0.000 0.220 392 S C 1.028 175.636 174.600 0.013 0.000 0.954 392 S CA 0.234 58.480 58.200 0.075 0.000 0.936 392 S CB -0.218 63.040 63.200 0.098 0.000 0.777 392 S HN 0.713 nan 8.310 nan 0.000 0.518 393 A N -1.073 121.745 122.820 -0.004 0.000 3.095 393 A HA 0.088 4.408 4.320 0.000 0.000 0.248 393 A C 0.612 178.102 177.584 -0.157 0.000 1.369 393 A CA 0.320 52.255 52.037 -0.169 0.000 0.843 393 A CB -1.965 16.852 19.000 -0.305 0.000 1.064 393 A HN 1.515 nan 8.150 nan 0.000 0.636 394 G N -1.396 107.443 108.800 0.066 0.000 2.530 394 G HA2 0.988 4.948 3.960 0.000 0.000 0.316 394 G HA3 0.988 4.948 3.960 0.000 0.000 0.316 394 G C -0.397 174.611 174.900 0.180 0.000 1.298 394 G CA 0.361 45.523 45.100 0.102 0.000 0.948 394 G HN 2.079 nan 8.290 nan 0.000 0.486 395 A N 0.965 123.875 122.820 0.149 0.000 2.599 395 A HA 0.925 5.245 4.320 0.000 0.000 0.290 395 A C -0.683 176.896 177.584 -0.008 0.000 1.101 395 A CA -0.340 51.733 52.037 0.060 0.000 0.674 395 A CB 1.644 20.610 19.000 -0.057 0.000 1.277 395 A HN 1.655 nan 8.150 nan 0.000 0.419 396 S N -1.123 114.547 115.700 -0.048 0.000 2.607 396 S HA 0.937 5.407 4.470 0.000 0.000 0.273 396 S C -1.390 173.175 174.600 -0.059 0.000 1.148 396 S CA -0.235 57.950 58.200 -0.025 0.000 0.833 396 S CB 1.116 64.401 63.200 0.142 0.000 1.130 396 S HN 1.806 nan 8.310 nan 0.000 0.470 397 F N 0.195 120.120 119.950 -0.041 0.000 2.745 397 F HA 0.729 5.256 4.527 0.000 0.000 0.316 397 F C -1.603 174.233 175.800 0.061 0.000 1.155 397 F CA -1.383 56.628 58.000 0.019 0.000 0.937 397 F CB 0.443 39.593 39.000 0.250 0.000 1.361 397 F HN 0.472 nan 8.300 nan 0.000 0.472 398 L N 1.622 122.969 121.223 0.207 0.000 2.439 398 L HA 0.553 4.893 4.340 0.000 0.000 0.259 398 L C 0.618 177.652 176.870 0.274 0.000 1.129 398 L CA -1.012 53.881 54.840 0.089 0.000 0.803 398 L CB 0.780 42.700 42.059 -0.232 0.000 1.161 398 L HN 0.636 nan 8.230 nan 0.000 0.462 399 R N -0.202 120.410 120.500 0.185 0.000 2.863 399 R HA 0.003 4.343 4.340 0.000 0.000 0.273 399 R C 0.918 177.414 176.300 0.326 0.000 1.057 399 R CA -0.070 56.131 56.100 0.169 0.000 1.191 399 R CB 0.154 30.578 30.300 0.207 0.000 1.104 399 R HN 0.362 nan 8.270 nan 0.000 0.519 400 F N 1.225 121.318 119.950 0.240 0.000 2.115 400 F HA -0.252 4.276 4.527 0.000 0.000 0.300 400 F C 2.049 178.013 175.800 0.275 0.000 1.092 400 F CA 2.110 60.218 58.000 0.181 0.000 1.245 400 F CB -0.346 38.684 39.000 0.051 0.000 0.995 400 F HN 0.631 nan 8.300 nan 0.000 0.481 401 D N -0.977 119.663 120.400 0.400 0.000 2.336 401 D HA 0.111 4.752 4.640 0.000 0.000 0.229 401 D C 1.684 178.135 176.300 0.252 0.000 1.061 401 D CA 0.789 54.958 54.000 0.282 0.000 0.875 401 D CB -0.627 40.282 40.800 0.182 0.000 0.904 401 D HN 0.352 nan 8.370 nan 0.000 0.525 402 G N 0.125 109.109 108.800 0.307 0.000 2.143 402 G HA2 -0.260 3.700 3.960 0.000 0.000 0.248 402 G HA3 -0.260 3.700 3.960 0.000 0.000 0.248 402 G C 0.393 175.274 174.900 -0.031 0.000 0.991 402 G CA 0.686 45.809 45.100 0.038 0.000 0.689 402 G HN 0.825 nan 8.290 nan 0.000 0.522 403 T N -1.381 113.190 114.554 0.028 0.000 2.943 403 T HA 0.771 5.121 4.350 0.000 0.000 0.284 403 T C -2.321 172.378 174.700 -0.001 0.000 1.015 403 T CA -1.705 60.378 62.100 -0.027 0.000 1.042 403 T CB 3.149 72.006 68.868 -0.019 0.000 1.055 403 T HN 0.111 nan 8.240 nan 0.000 0.500 404 P HA 0.035 nan 4.420 nan 0.000 0.272 404 P C 0.059 177.417 177.300 0.096 0.000 1.223 404 P CA -0.565 62.549 63.100 0.024 0.000 0.784 404 P CB 1.072 32.778 31.700 0.010 0.000 0.923 405 W N 2.725 123.972 121.300 -0.090 0.000 2.728 405 W HA 0.152 4.812 4.660 0.000 0.000 0.270 405 W C -0.563 175.909 176.519 -0.079 0.000 1.150 405 W CA 0.472 57.743 57.345 -0.123 0.000 1.518 405 W CB 0.447 29.769 29.460 -0.230 0.000 1.069 405 W HN 0.329 nan 8.180 nan 0.000 0.590 406 S N 0.220 115.918 115.700 -0.003 0.000 2.614 406 S HA 0.275 4.746 4.470 0.000 0.000 0.275 406 S C 0.191 174.844 174.600 0.088 0.000 1.161 406 S CA 0.013 58.188 58.200 -0.043 0.000 0.969 406 S CB 1.408 64.627 63.200 0.031 0.000 1.059 406 S HN 0.128 nan 8.310 nan 0.000 0.482 407 T N 0.267 114.878 114.554 0.096 0.000 3.086 407 T HA 0.251 4.601 4.350 0.000 0.000 0.250 407 T C 0.318 175.175 174.700 0.261 0.000 1.074 407 T CA -0.102 62.113 62.100 0.192 0.000 0.988 407 T CB -0.073 68.893 68.868 0.165 0.000 0.988 407 T HN 0.498 nan 8.240 nan 0.000 0.530 408 D N 1.266 121.732 120.400 0.109 0.000 2.440 408 D HA 0.345 4.986 4.640 0.000 0.000 0.258 408 D C -0.220 175.953 176.300 -0.211 0.000 1.092 408 D CA -0.680 53.305 54.000 -0.024 0.000 1.016 408 D CB 1.487 42.233 40.800 -0.090 0.000 1.141 408 D HN 0.110 nan 8.370 nan 0.000 0.552 409 K N 0.721 120.763 120.400 -0.597 0.000 2.436 409 K HA 0.094 4.415 4.320 0.000 0.000 0.275 409 K C -0.309 176.196 176.600 -0.159 0.000 0.999 409 K CA 0.160 56.141 56.287 -0.509 0.000 0.980 409 K CB 0.484 32.625 32.500 -0.598 0.000 0.919 409 K HN 0.220 nan 8.250 nan 0.000 0.484 410 D N 1.600 121.972 120.400 -0.048 0.000 2.542 410 D HA 0.195 4.835 4.640 0.000 0.000 0.252 410 D C 0.506 176.849 176.300 0.072 0.000 1.222 410 D CA -0.489 53.542 54.000 0.052 0.000 0.895 410 D CB 1.556 42.438 40.800 0.137 0.000 1.207 410 D HN 0.598 nan 8.370 nan 0.000 0.558 411 G N 2.955 111.810 108.800 0.091 0.000 2.551 411 G HA2 -0.063 3.898 3.960 0.000 0.000 0.216 411 G HA3 -0.063 3.898 3.960 0.000 0.000 0.216 411 G C 1.578 176.531 174.900 0.089 0.000 1.137 411 G CA 0.229 45.401 45.100 0.120 0.000 0.798 411 G HN 0.569 nan 8.290 nan 0.000 0.536 412 I N 1.590 122.215 120.570 0.091 0.000 2.233 412 I HA 0.035 4.205 4.170 0.000 0.000 0.243 412 I C 1.892 178.009 176.117 0.001 0.000 1.093 412 I CA 0.239 61.560 61.300 0.034 0.000 1.380 412 I CB -0.286 37.715 38.000 0.000 0.000 1.067 412 I HN 0.229 nan 8.210 nan 0.000 0.413 416 L N 1.429 122.542 121.223 -0.182 0.000 2.131 416 L HA -0.121 4.219 4.340 0.000 0.000 0.210 416 L C 2.352 179.197 176.870 -0.041 0.000 1.092 416 L CA 1.367 56.171 54.840 -0.060 0.000 0.759 416 L CB -0.415 41.631 42.059 -0.022 0.000 0.903 416 L HN 0.408 nan 8.230 nan 0.000 0.435 417 L N 0.211 121.432 121.223 -0.003 0.000 2.131 417 L HA -0.148 4.192 4.340 0.000 0.000 0.210 417 L C 2.586 179.411 176.870 -0.075 0.000 1.092 417 L CA 1.882 56.704 54.840 -0.030 0.000 0.759 417 L CB -0.609 41.460 42.059 0.016 0.000 0.903 417 L HN 0.143 nan 8.230 nan 0.000 0.435 418 A N -0.522 122.317 122.820 0.030 0.000 1.933 418 A HA -0.060 4.260 4.320 0.000 0.000 0.218 418 A C 2.451 180.031 177.584 -0.007 0.000 1.175 418 A CA 1.630 53.695 52.037 0.046 0.000 0.628 418 A CB -1.037 17.936 19.000 -0.046 0.000 0.814 418 A HN 0.572 nan 8.150 nan 0.000 0.444 419 A N -0.132 122.701 122.820 0.023 0.000 1.873 419 A HA -0.159 4.161 4.320 0.000 0.000 0.215 419 A C 2.054 179.612 177.584 -0.043 0.000 1.186 419 A CA 1.739 53.801 52.037 0.041 0.000 0.616 419 A CB -0.557 18.513 19.000 0.117 0.000 0.823 419 A HN 0.689 nan 8.150 nan 0.000 0.442 420 E N 0.053 120.191 120.200 -0.103 0.000 2.077 420 E HA -0.189 4.161 4.350 0.000 0.000 0.193 420 E C 1.883 178.286 176.600 -0.328 0.000 0.989 420 E CA 1.368 57.675 56.400 -0.154 0.000 0.800 420 E CB -0.298 29.322 29.700 -0.135 0.000 0.746 420 E HN 0.640 nan 8.360 nan 0.000 0.452 421 I N 1.004 121.233 120.570 -0.568 0.000 2.151 421 I HA -0.304 3.867 4.170 0.000 0.000 0.243 421 I C 2.480 178.430 176.117 -0.279 0.000 1.080 421 I CA 1.781 62.614 61.300 -0.779 0.000 1.339 421 I CB -0.537 37.017 38.000 -0.743 0.000 1.039 421 I HN 0.221 nan 8.210 nan 0.000 0.409 422 T N 0.629 115.112 114.554 -0.119 0.000 2.777 422 T HA -0.103 4.248 4.350 0.000 0.000 0.266 422 T C 2.056 176.765 174.700 0.016 0.000 1.040 422 T CA 1.337 63.441 62.100 0.008 0.000 1.141 422 T CB -0.325 68.561 68.868 0.030 0.000 0.868 422 T HN 0.478 nan 8.240 nan 0.000 0.444 423 A N 1.027 123.842 122.820 -0.009 0.000 1.877 423 A HA -0.047 4.273 4.320 0.000 0.000 0.216 423 A C 2.573 180.175 177.584 0.030 0.000 1.186 423 A CA 1.441 53.486 52.037 0.014 0.000 0.620 423 A CB -0.991 18.015 19.000 0.011 0.000 0.822 423 A HN 0.353 nan 8.150 nan 0.000 0.443 424 V N 0.180 120.105 119.914 0.018 0.000 2.453 424 V HA -0.145 3.975 4.120 0.000 0.000 0.247 424 V C 2.735 178.902 176.094 0.122 0.000 1.048 424 V CA 2.255 64.604 62.300 0.082 0.000 1.049 424 V CB -0.857 31.043 31.823 0.128 0.000 0.672 424 V HN 0.848 nan 8.190 nan 0.000 0.457 425 T N -3.604 111.023 114.554 0.122 0.000 3.022 425 T HA 0.320 4.670 4.350 0.000 0.000 0.250 425 T C 1.608 176.391 174.700 0.137 0.000 1.060 425 T CA 0.958 63.172 62.100 0.191 0.000 1.013 425 T CB 0.804 69.880 68.868 0.345 0.000 0.982 425 T HN 0.879 nan 8.240 nan 0.000 0.508 426 G N 1.536 110.396 108.800 0.101 0.000 2.184 426 G HA2 -0.238 3.723 3.960 0.000 0.000 0.264 426 G HA3 -0.238 3.723 3.960 0.000 0.000 0.264 426 G C -0.108 174.831 174.900 0.064 0.000 0.975 426 G CA 0.371 45.512 45.100 0.069 0.000 0.642 426 G HN 0.693 nan 8.290 nan 0.000 0.536 427 K N 0.618 121.083 120.400 0.109 0.000 2.397 427 K HA 0.388 4.708 4.320 0.000 0.000 0.253 427 K C 0.019 176.738 176.600 0.197 0.000 0.932 427 K CA -0.674 55.654 56.287 0.069 0.000 0.795 427 K CB 1.473 33.874 32.500 -0.165 0.000 1.159 427 K HN 0.335 nan 8.250 nan 0.000 0.424 428 N N 1.863 120.650 118.700 0.145 0.000 2.371 428 N HA 0.069 4.809 4.740 0.000 0.000 0.243 428 N C -2.193 173.489 175.510 0.286 0.000 1.287 428 N CA -1.145 52.005 53.050 0.167 0.000 0.911 428 N CB 0.256 38.804 38.487 0.102 0.000 1.142 428 N HN 0.137 nan 8.380 nan 0.000 0.451 429 P HA -0.160 nan 4.420 nan 0.000 0.219 429 P C 1.200 178.701 177.300 0.334 0.000 1.146 429 P CA 1.263 64.547 63.100 0.306 0.000 0.808 429 P CB 0.166 32.069 31.700 0.339 0.000 0.779 430 Q N 0.585 120.532 119.800 0.245 0.000 2.079 430 Q HA -0.181 4.160 4.340 0.000 0.000 0.200 430 Q C 1.928 178.064 176.000 0.227 0.000 0.974 430 Q CA 1.771 57.716 55.803 0.237 0.000 0.840 430 Q CB -0.808 28.026 28.738 0.159 0.000 0.898 430 Q HN 0.269 nan 8.270 nan 0.000 0.430 431 E N -0.875 119.421 120.200 0.160 0.000 2.077 431 E HA -0.217 4.134 4.350 0.000 0.000 0.193 431 E C 2.057 178.681 176.600 0.040 0.000 0.989 431 E CA 1.091 57.532 56.400 0.069 0.000 0.800 431 E CB -0.234 29.467 29.700 0.001 0.000 0.746 431 E HN 0.545 nan 8.360 nan 0.000 0.452 432 H N -0.640 118.502 119.070 0.120 0.000 2.319 432 H HA -0.187 4.369 4.556 0.000 0.000 0.297 432 H C 2.040 177.450 175.328 0.135 0.000 1.097 432 H CA 1.712 57.833 56.048 0.122 0.000 1.285 432 H CB -0.311 29.530 29.762 0.133 0.000 1.368 432 H HN 0.264 nan 8.280 nan 0.000 0.495 433 Y N 2.251 122.666 120.300 0.192 0.000 2.200 433 Y HA -0.200 4.351 4.550 0.000 0.000 0.290 433 Y C 2.187 178.124 175.900 0.061 0.000 1.137 433 Y CA 1.164 59.333 58.100 0.115 0.000 1.163 433 Y CB -0.229 38.291 38.460 0.101 0.000 0.988 433 Y HN 0.097 nan 8.280 nan 0.000 0.518 434 N N 0.696 119.454 118.700 0.097 0.000 2.094 434 N HA -0.207 4.534 4.740 0.000 0.000 0.191 434 N C 1.667 177.128 175.510 -0.082 0.000 1.023 434 N CA 1.986 55.038 53.050 0.004 0.000 0.857 434 N CB -0.427 38.092 38.487 0.054 0.000 1.013 434 N HN 0.581 nan 8.380 nan 0.000 0.426 435 E N 0.529 120.695 120.200 -0.058 0.000 2.072 435 E HA -0.076 4.275 4.350 0.000 0.000 0.191 435 E C 2.146 178.695 176.600 -0.084 0.000 0.985 435 E CA 0.535 56.895 56.400 -0.067 0.000 0.801 435 E CB -0.174 29.495 29.700 -0.053 0.000 0.750 435 E HN 0.293 nan 8.360 nan 0.000 0.452 436 L N 0.793 121.966 121.223 -0.083 0.000 2.013 436 L HA -0.244 4.096 4.340 0.000 0.000 0.212 436 L C 2.648 179.476 176.870 -0.070 0.000 1.073 436 L CA 1.243 56.069 54.840 -0.025 0.000 0.753 436 L CB -0.580 41.434 42.059 -0.075 0.000 0.890 436 L HN 0.161 nan 8.230 nan 0.000 0.432 437 A N -0.185 122.439 122.820 -0.325 0.000 1.933 437 A HA -0.154 4.166 4.320 0.000 0.000 0.218 437 A C 2.512 180.050 177.584 -0.076 0.000 1.175 437 A CA 1.690 53.588 52.037 -0.232 0.000 0.628 437 A CB -0.643 18.159 19.000 -0.330 0.000 0.814 437 A HN 0.430 nan 8.150 nan 0.000 0.444 438 A N -0.289 122.474 122.820 -0.095 0.000 1.930 438 A HA -0.130 4.190 4.320 0.000 0.000 0.217 438 A C 2.260 179.774 177.584 -0.116 0.000 1.175 438 A CA 1.496 53.486 52.037 -0.078 0.000 0.627 438 A CB -0.373 18.581 19.000 -0.078 0.000 0.815 438 A HN 0.557 nan 8.150 nan 0.000 0.443 439 R N -2.113 118.270 120.500 -0.195 0.000 2.075 439 R HA 0.039 4.379 4.340 0.000 0.000 0.226 439 R C 0.950 176.950 176.300 -0.499 0.000 1.114 439 R CA 1.482 57.318 56.100 -0.439 0.000 0.972 439 R CB -0.204 29.679 30.300 -0.695 0.000 0.869 439 R HN 0.546 nan 8.270 nan 0.000 0.437 440 F N -0.537 119.426 119.950 0.021 0.000 2.682 440 F HA 0.368 4.895 4.527 0.000 0.000 0.308 440 F C 0.764 176.699 175.800 0.224 0.000 1.093 440 F CA 0.256 58.302 58.000 0.075 0.000 1.244 440 F CB 1.034 40.085 39.000 0.085 0.000 1.052 440 F HN 0.120 nan 8.300 nan 0.000 0.573 441 G N 0.940 109.913 108.800 0.287 0.000 2.692 441 G HA2 0.206 4.166 3.960 0.000 0.000 0.686 441 G HA3 0.206 4.166 3.960 0.000 0.000 0.686 441 G C -0.648 174.360 174.900 0.179 0.000 1.243 441 G CA -0.790 44.478 45.100 0.280 0.000 0.782 441 G HN 0.582 nan 8.290 nan 0.000 0.625 442 A N 3.363 126.198 122.820 0.024 0.000 2.366 442 A HA 0.791 5.111 4.320 0.000 0.000 0.322 442 A C -1.068 176.402 177.584 -0.189 0.000 1.397 442 A CA -0.897 51.099 52.037 -0.069 0.000 0.984 442 A CB 0.351 19.351 19.000 0.001 0.000 1.149 442 A HN 0.785 nan 8.150 nan 0.000 0.540 443 P HA 0.186 nan 4.420 nan 0.000 0.274 443 P C -0.154 177.081 177.300 -0.107 0.000 1.231 443 P CA -0.053 62.731 63.100 -0.527 0.000 0.790 443 P CB 1.294 32.443 31.700 -0.918 0.000 0.951 444 S N 1.884 117.558 115.700 -0.044 0.000 2.449 444 S HA 0.495 4.965 4.470 0.000 0.000 0.310 444 S C -1.491 173.152 174.600 0.071 0.000 1.096 444 S CA -0.599 57.629 58.200 0.046 0.000 1.095 444 S CB 0.063 63.281 63.200 0.029 0.000 1.007 444 S HN 0.457 nan 8.310 nan 0.000 0.474 445 Y N 4.508 124.796 120.300 -0.020 0.000 2.462 445 Y HA 0.675 5.225 4.550 0.000 0.000 0.346 445 Y C -0.550 175.331 175.900 -0.031 0.000 0.976 445 Y CA -0.625 57.456 58.100 -0.032 0.000 1.044 445 Y CB 1.680 40.170 38.460 0.050 0.000 1.230 445 Y HN 0.816 nan 8.280 nan 0.000 0.455 446 N N 2.653 121.213 118.700 -0.232 0.000 2.610 446 N HA 0.529 5.269 4.740 0.000 0.000 0.264 446 N C -2.063 173.310 175.510 -0.228 0.000 1.348 446 N CA -0.871 52.122 53.050 -0.095 0.000 0.819 446 N CB 1.899 40.328 38.487 -0.096 0.000 1.521 446 N HN 0.708 nan 8.380 nan 0.000 0.497 447 R N 0.898 121.342 120.500 -0.092 0.000 2.599 447 R HA 0.751 5.091 4.340 0.000 0.000 0.295 447 R C -0.734 175.470 176.300 -0.160 0.000 0.963 447 R CA -0.837 55.159 56.100 -0.173 0.000 0.883 447 R CB 1.497 31.713 30.300 -0.141 0.000 1.171 447 R HN 0.604 nan 8.270 nan 0.000 0.450 448 L N -1.287 119.818 121.223 -0.197 0.000 2.510 448 L HA 0.640 4.980 4.340 0.000 0.000 0.252 448 L C -1.396 175.354 176.870 -0.200 0.000 1.091 448 L CA -1.275 53.463 54.840 -0.170 0.000 0.888 448 L CB 2.155 44.122 42.059 -0.154 0.000 1.507 448 L HN 0.678 nan 8.230 nan 0.000 0.407 449 Q N 0.503 120.177 119.800 -0.210 0.000 2.377 449 Q HA 0.872 5.213 4.340 0.000 0.000 0.279 449 Q C -1.796 173.990 176.000 -0.356 0.000 1.049 449 Q CA -0.914 54.718 55.803 -0.286 0.000 0.825 449 Q CB 2.595 31.209 28.738 -0.207 0.000 1.401 449 Q HN 0.983 nan 8.270 nan 0.000 0.404 450 A N 1.220 123.667 122.820 -0.622 0.000 2.365 450 A HA 0.661 4.981 4.320 0.000 0.000 0.318 450 A C -0.361 176.953 177.584 -0.449 0.000 1.091 450 A CA -0.665 51.034 52.037 -0.563 0.000 0.763 450 A CB 1.997 20.584 19.000 -0.688 0.000 1.248 450 A HN 0.692 nan 8.150 nan 0.000 0.442 451 S N 0.375 115.952 115.700 -0.206 0.000 2.593 451 S HA 0.416 4.886 4.470 0.000 0.000 0.300 451 S C 0.243 174.841 174.600 -0.004 0.000 1.267 451 S CA 0.701 58.848 58.200 -0.087 0.000 1.065 451 S CB -0.161 63.011 63.200 -0.047 0.000 0.807 451 S HN 2.023 nan 8.310 nan 0.000 0.499 452 A N 3.801 126.651 122.820 0.051 0.000 2.520 452 A HA 0.666 4.986 4.320 0.000 0.000 0.298 452 A C -0.006 177.628 177.584 0.083 0.000 1.051 452 A CA -0.597 51.520 52.037 0.132 0.000 0.690 452 A CB 1.272 20.445 19.000 0.288 0.000 1.281 452 A HN 0.925 nan 8.150 nan 0.000 0.402 453 T N -0.084 114.513 114.554 0.072 0.000 2.910 453 T HA 0.407 4.757 4.350 0.000 0.000 0.293 453 T C 1.334 176.066 174.700 0.054 0.000 1.015 453 T CA 0.412 62.542 62.100 0.050 0.000 1.094 453 T CB 1.047 69.938 68.868 0.039 0.000 0.968 453 T HN 0.642 nan 8.240 nan 0.000 0.521 454 S N 1.962 117.688 115.700 0.043 0.000 2.393 454 S HA -0.262 4.208 4.470 0.000 0.000 0.234 454 S C 2.456 177.079 174.600 0.039 0.000 1.064 454 S CA 1.792 60.017 58.200 0.041 0.000 1.088 454 S CB -1.144 62.076 63.200 0.033 0.000 0.939 454 S HN 0.971 nan 8.310 nan 0.000 0.448 455 A N 0.721 123.560 122.820 0.033 0.000 1.883 455 A HA -0.243 4.077 4.320 0.000 0.000 0.217 455 A C 2.114 179.715 177.584 0.029 0.000 1.186 455 A CA 1.936 53.990 52.037 0.028 0.000 0.624 455 A CB -0.748 18.266 19.000 0.023 0.000 0.822 455 A HN 0.601 nan 8.150 nan 0.000 0.444 456 Q N -0.304 119.517 119.800 0.036 0.000 2.050 456 Q HA -0.176 4.164 4.340 0.000 0.000 0.202 456 Q C 2.134 178.154 176.000 0.035 0.000 0.980 456 Q CA 1.796 57.619 55.803 0.034 0.000 0.840 456 Q CB -0.192 28.580 28.738 0.057 0.000 0.898 456 Q HN 0.665 nan 8.270 nan 0.000 0.424 457 K N 0.383 120.820 120.400 0.061 0.000 2.032 457 K HA -0.165 4.155 4.320 0.000 0.000 0.209 457 K C 2.168 178.797 176.600 0.048 0.000 1.048 457 K CA 1.310 57.640 56.287 0.072 0.000 0.927 457 K CB -0.322 32.230 32.500 0.087 0.000 0.712 457 K HN 0.157 nan 8.250 nan 0.000 0.441 458 A N 1.848 124.691 122.820 0.040 0.000 1.902 458 A HA -0.117 4.203 4.320 0.000 0.000 0.217 458 A C 2.475 180.072 177.584 0.021 0.000 1.181 458 A CA 1.913 53.969 52.037 0.032 0.000 0.623 458 A CB -0.719 18.298 19.000 0.029 0.000 0.818 458 A HN 0.357 nan 8.150 nan 0.000 0.443 459 A N -0.619 122.209 122.820 0.014 0.000 1.933 459 A HA -0.037 4.283 4.320 0.000 0.000 0.218 459 A C 2.078 179.658 177.584 -0.006 0.000 1.175 459 A CA 1.679 53.718 52.037 0.003 0.000 0.628 459 A CB -0.606 18.394 19.000 -0.000 0.000 0.814 459 A HN 0.688 nan 8.150 nan 0.000 0.444 460 L N 0.934 122.147 121.223 -0.016 0.000 2.127 460 L HA -0.154 4.186 4.340 0.000 0.000 0.211 460 L C 2.608 179.476 176.870 -0.004 0.000 1.089 460 L CA 2.638 57.458 54.840 -0.033 0.000 0.757 460 L CB -0.582 41.439 42.059 -0.064 0.000 0.899 460 L HN 0.512 nan 8.230 nan 0.000 0.434 461 S N -1.906 113.802 115.700 0.013 0.000 2.489 461 S HA -0.058 4.412 4.470 0.000 0.000 0.228 461 S C 1.484 176.092 174.600 0.013 0.000 0.995 461 S CA 0.499 58.712 58.200 0.023 0.000 0.934 461 S CB -0.291 62.931 63.200 0.036 0.000 0.771 461 S HN 0.567 nan 8.310 nan 0.000 0.522 462 K N 0.909 121.314 120.400 0.007 0.000 2.646 462 K HA 0.421 4.741 4.320 0.000 0.000 0.206 462 K C -0.493 176.106 176.600 -0.002 0.000 1.069 462 K CA -0.227 56.063 56.287 0.004 0.000 1.067 462 K CB 0.470 32.974 32.500 0.008 0.000 0.807 462 K HN 0.344 nan 8.250 nan 0.000 0.482 463 L N 0.835 122.054 121.223 -0.007 0.000 2.479 463 L HA 0.246 4.586 4.340 0.000 0.000 0.248 463 L C 0.706 177.568 176.870 -0.013 0.000 1.205 463 L CA -0.322 54.512 54.840 -0.010 0.000 0.817 463 L CB 0.743 42.794 42.059 -0.013 0.000 1.162 463 L HN 0.100 nan 8.230 nan 0.000 0.486 464 S N -1.868 113.825 115.700 -0.013 0.000 2.570 464 S HA 0.482 4.952 4.470 0.000 0.000 0.286 464 S C -2.248 172.342 174.600 -0.018 0.000 1.099 464 S CA -1.262 56.928 58.200 -0.017 0.000 0.913 464 S CB 1.834 65.026 63.200 -0.013 0.000 1.085 464 S HN 0.318 nan 8.310 nan 0.000 0.480 465 P HA -0.134 nan 4.420 nan 0.000 0.217 465 P C 0.622 177.913 177.300 -0.015 0.000 1.148 465 P CA 1.425 64.510 63.100 -0.025 0.000 0.828 465 P CB -0.050 31.632 31.700 -0.030 0.000 0.783 469 S N 1.473 117.189 115.700 0.026 0.000 2.558 469 S HA 0.341 4.812 4.470 0.000 0.000 0.217 469 S C 1.023 175.640 174.600 0.030 0.000 0.975 469 S CA 0.438 58.652 58.200 0.023 0.000 0.912 469 S CB 0.433 63.644 63.200 0.019 0.000 0.776 469 S HN 1.444 nan 8.310 nan 0.000 0.526 470 A N 2.169 125.014 122.820 0.042 0.000 2.511 470 A HA 0.484 4.804 4.320 0.000 0.000 0.242 470 A C 1.223 178.834 177.584 0.045 0.000 1.069 470 A CA 0.081 52.148 52.037 0.050 0.000 0.763 470 A CB 0.193 19.239 19.000 0.076 0.000 1.001 470 A HN 0.554 nan 8.150 nan 0.000 0.498 471 S N 0.889 116.613 115.700 0.041 0.000 2.512 471 S HA 0.228 4.698 4.470 0.000 0.000 0.216 471 S C 0.545 175.172 174.600 0.045 0.000 1.006 471 S CA 0.485 58.707 58.200 0.037 0.000 0.915 471 S CB 0.175 63.392 63.200 0.028 0.000 0.824 471 S HN 0.662 nan 8.310 nan 0.000 0.497 472 T N 2.282 116.869 114.554 0.056 0.000 2.893 472 T HA 0.674 5.024 4.350 0.000 0.000 0.293 472 T C -1.903 172.848 174.700 0.084 0.000 1.027 472 T CA -0.479 61.660 62.100 0.065 0.000 0.988 472 T CB 2.019 70.920 68.868 0.055 0.000 1.043 472 T HN 0.200 nan 8.240 nan 0.000 0.461 473 L N 2.911 124.194 121.223 0.101 0.000 2.404 473 L HA 0.711 5.051 4.340 0.000 0.000 0.272 473 L C 0.275 177.209 176.870 0.106 0.000 0.980 473 L CA -0.005 54.904 54.840 0.115 0.000 0.836 473 L CB 0.794 42.952 42.059 0.164 0.000 1.238 473 L HN 0.966 nan 8.230 nan 0.000 0.408 474 A N 3.993 126.850 122.820 0.062 0.000 2.560 474 A HA 0.167 4.488 4.320 0.000 0.000 0.299 474 A C 1.491 179.184 177.584 0.181 0.000 1.484 474 A CA 1.439 53.512 52.037 0.059 0.000 0.749 474 A CB -2.133 16.777 19.000 -0.150 0.000 1.072 474 A HN 2.573 nan 8.150 nan 0.000 0.426 475 G N -1.489 107.384 108.800 0.122 0.000 2.159 475 G HA2 -0.159 3.801 3.960 0.000 0.000 0.256 475 G HA3 -0.159 3.801 3.960 0.000 0.000 0.256 475 G C -0.283 174.678 174.900 0.101 0.000 0.977 475 G CA 0.616 45.781 45.100 0.107 0.000 0.652 475 G HN 1.175 nan 8.290 nan 0.000 0.531 476 D N 0.409 120.880 120.400 0.118 0.000 2.671 476 D HA 0.474 5.115 4.640 0.000 0.000 0.232 476 D C -2.618 173.731 176.300 0.082 0.000 1.114 476 D CA -1.245 52.814 54.000 0.097 0.000 0.858 476 D CB 2.475 43.347 40.800 0.121 0.000 1.544 476 D HN 0.037 nan 8.370 nan 0.000 0.471 477 P HA 0.173 nan 4.420 nan 0.000 0.271 477 P C 0.171 177.504 177.300 0.055 0.000 1.216 477 P CA -0.151 62.980 63.100 0.050 0.000 0.771 477 P CB 0.818 32.540 31.700 0.036 0.000 0.864 478 I N 3.090 123.691 120.570 0.051 0.000 2.587 478 I HA -0.052 4.118 4.170 0.000 0.000 0.284 478 I C 1.863 177.996 176.117 0.025 0.000 1.134 478 I CA 0.483 61.809 61.300 0.044 0.000 1.410 478 I CB 0.249 38.272 38.000 0.039 0.000 1.392 478 I HN 0.451 nan 8.210 nan 0.000 0.545 479 T N 2.191 116.758 114.554 0.022 0.000 3.057 479 T HA 0.436 4.787 4.350 0.000 0.000 0.254 479 T C 0.430 175.122 174.700 -0.012 0.000 1.094 479 T CA 0.129 62.233 62.100 0.006 0.000 1.088 479 T CB 0.351 69.224 68.868 0.008 0.000 0.934 479 T HN 0.670 nan 8.240 nan 0.000 0.497 480 A N 0.760 123.568 122.820 -0.019 0.000 2.555 480 A HA 0.726 5.046 4.320 0.000 0.000 0.297 480 A C -1.218 176.331 177.584 -0.058 0.000 1.060 480 A CA -1.132 50.880 52.037 -0.042 0.000 0.710 480 A CB 1.169 20.134 19.000 -0.059 0.000 1.282 480 A HN 0.279 nan 8.150 nan 0.000 0.399 481 R N 1.384 121.849 120.500 -0.058 0.000 2.337 481 R HA 0.643 4.984 4.340 0.000 0.000 0.319 481 R C -1.224 175.029 176.300 -0.078 0.000 0.954 481 R CA -0.160 55.897 56.100 -0.072 0.000 0.840 481 R CB 1.303 31.577 30.300 -0.043 0.000 1.164 481 R HN 0.628 nan 8.270 nan 0.000 0.472 482 L N 1.994 123.155 121.223 -0.103 0.000 2.346 482 L HA 0.488 4.829 4.340 0.000 0.000 0.276 482 L C 0.938 177.752 176.870 -0.094 0.000 1.006 482 L CA -0.510 54.269 54.840 -0.102 0.000 0.817 482 L CB 2.257 44.240 42.059 -0.127 0.000 1.272 482 L HN 0.725 nan 8.230 nan 0.000 0.421 483 T N -2.102 112.404 114.554 -0.080 0.000 3.004 483 T HA 0.481 4.831 4.350 0.000 0.000 0.266 483 T C 0.266 174.916 174.700 -0.083 0.000 0.986 483 T CA 0.069 62.129 62.100 -0.068 0.000 0.902 483 T CB 0.720 69.560 68.868 -0.047 0.000 1.118 483 T HN 0.529 nan 8.240 nan 0.000 0.522 484 A N 0.901 123.661 122.820 -0.100 0.000 2.423 484 A HA 0.921 5.241 4.320 0.000 0.000 0.304 484 A C -0.153 177.334 177.584 -0.162 0.000 1.104 484 A CA -0.738 51.223 52.037 -0.127 0.000 0.757 484 A CB 1.228 20.166 19.000 -0.103 0.000 1.313 484 A HN 0.681 nan 8.150 nan 0.000 0.423 485 A N 2.053 124.742 122.820 -0.218 0.000 2.409 485 A HA 0.590 4.910 4.320 0.000 0.000 0.267 485 A C -1.709 175.764 177.584 -0.184 0.000 1.127 485 A CA -1.312 50.583 52.037 -0.238 0.000 0.795 485 A CB -0.199 18.596 19.000 -0.342 0.000 1.061 485 A HN 0.503 nan 8.150 nan 0.000 0.502 486 P HA -0.143 nan 4.420 nan 0.000 0.218 486 P C 1.641 178.881 177.300 -0.101 0.000 1.148 486 P CA 1.919 64.947 63.100 -0.120 0.000 0.822 486 P CB 0.214 31.840 31.700 -0.122 0.000 0.784 487 G N 0.494 109.227 108.800 -0.112 0.000 2.404 487 G HA2 -0.198 3.762 3.960 0.000 0.000 0.214 487 G HA3 -0.198 3.762 3.960 0.000 0.000 0.214 487 G C 1.150 176.031 174.900 -0.033 0.000 1.189 487 G CA 0.859 45.919 45.100 -0.066 0.000 0.789 487 G HN 0.381 nan 8.290 nan 0.000 0.533 488 N N -0.854 117.802 118.700 -0.074 0.000 2.171 488 N HA 0.232 4.972 4.740 0.000 0.000 0.212 488 N C 1.460 176.923 175.510 -0.078 0.000 1.184 488 N CA 0.726 53.750 53.050 -0.042 0.000 0.888 488 N CB 0.178 38.655 38.487 -0.016 0.000 1.038 488 N HN 0.535 nan 8.380 nan 0.000 0.517 489 G N -0.297 108.435 108.800 -0.113 0.000 2.220 489 G HA2 -0.280 3.680 3.960 0.000 0.000 0.269 489 G HA3 -0.280 3.680 3.960 0.000 0.000 0.269 489 G C 0.419 175.241 174.900 -0.130 0.000 0.977 489 G CA 0.407 45.446 45.100 -0.101 0.000 0.634 489 G HN 0.867 nan 8.290 nan 0.000 0.539 490 A N 0.249 122.941 122.820 -0.213 0.000 2.483 490 A HA 0.625 4.945 4.320 0.000 0.000 0.238 490 A C 1.070 178.509 177.584 -0.242 0.000 1.070 490 A CA 1.214 53.100 52.037 -0.251 0.000 0.770 490 A CB 0.391 19.049 19.000 -0.569 0.000 1.008 490 A HN 1.804 nan 8.150 nan 0.000 0.497 491 S N 0.706 116.329 115.700 -0.128 0.000 2.558 491 S HA 0.128 4.598 4.470 0.000 0.000 0.288 491 S C 1.121 175.641 174.600 -0.133 0.000 1.318 491 S CA 0.254 58.397 58.200 -0.095 0.000 1.056 491 S CB -0.180 63.007 63.200 -0.022 0.000 0.853 491 S HN 0.947 nan 8.310 nan 0.000 0.505 492 I N 2.061 122.561 120.570 -0.117 0.000 3.728 492 I HA 0.359 4.529 4.170 0.000 0.000 0.307 492 I C 1.235 177.336 176.117 -0.026 0.000 1.276 492 I CA 0.194 61.428 61.300 -0.111 0.000 1.285 492 I CB -1.065 36.856 38.000 -0.133 0.000 1.038 492 I HN 0.854 nan 8.210 nan 0.000 0.445 493 G N 1.594 110.392 108.800 -0.003 0.000 2.295 493 G HA2 0.011 3.971 3.960 0.000 0.000 0.287 493 G HA3 0.011 3.971 3.960 0.000 0.000 0.287 493 G C 0.289 175.212 174.900 0.037 0.000 1.055 493 G CA 0.240 45.358 45.100 0.030 0.000 0.922 493 G HN 1.188 nan 8.290 nan 0.000 0.503 494 G N -1.604 107.207 108.800 0.017 0.000 2.455 494 G HA2 0.593 4.553 3.960 0.000 0.000 0.223 494 G HA3 0.593 4.553 3.960 0.000 0.000 0.223 494 G C -1.473 173.429 174.900 0.005 0.000 1.226 494 G CA 0.075 45.192 45.100 0.029 0.000 0.948 494 G HN 1.661 nan 8.290 nan 0.000 0.478 495 L N -0.029 121.207 121.223 0.022 0.000 2.445 495 L HA 0.914 5.254 4.340 0.000 0.000 0.262 495 L C -0.863 175.972 176.870 -0.058 0.000 0.974 495 L CA -0.669 54.161 54.840 -0.018 0.000 0.822 495 L CB 2.259 44.324 42.059 0.010 0.000 1.339 495 L HN 0.809 nan 8.230 nan 0.000 0.409 496 K N 3.644 123.952 120.400 -0.154 0.000 2.507 496 K HA 0.787 5.107 4.320 0.000 0.000 0.251 496 K C -1.845 174.556 176.600 -0.331 0.000 0.943 496 K CA -0.601 55.542 56.287 -0.240 0.000 0.794 496 K CB 2.012 34.411 32.500 -0.169 0.000 1.188 496 K HN 0.550 nan 8.250 nan 0.000 0.428 500 D N 0.373 120.823 120.400 0.084 0.000 2.218 500 D HA -0.050 4.590 4.640 0.000 0.000 0.204 500 D C 1.244 177.595 176.300 0.085 0.000 0.976 500 D CA 1.068 55.101 54.000 0.055 0.000 0.853 500 D CB -0.042 40.774 40.800 0.027 0.000 0.939 500 D HN 0.443 nan 8.370 nan 0.000 0.481 501 N N -0.338 118.451 118.700 0.148 0.000 2.282 501 N HA 0.134 4.875 4.740 0.000 0.000 0.185 501 N C 0.916 176.639 175.510 0.354 0.000 1.099 501 N CA 0.265 53.438 53.050 0.204 0.000 0.878 501 N CB 2.006 40.553 38.487 0.101 0.000 0.993 501 N HN 0.105 nan 8.380 nan 0.000 0.481 502 G N -0.296 108.714 108.800 0.349 0.000 2.488 502 G HA2 0.501 4.461 3.960 0.000 0.000 0.301 502 G HA3 0.501 4.461 3.960 0.000 0.000 0.301 502 G C -2.141 172.964 174.900 0.343 0.000 1.339 502 G CA -0.790 44.499 45.100 0.315 0.000 0.803 502 G HN 0.098 nan 8.290 nan 0.000 0.482 503 W N -1.289 120.098 121.300 0.144 0.000 3.059 503 W HA 0.691 5.351 4.660 0.000 0.000 0.329 503 W C -2.260 174.345 176.519 0.143 0.000 1.246 503 W CA -1.706 55.687 57.345 0.079 0.000 1.190 503 W CB 0.759 30.236 29.460 0.028 0.000 1.423 503 W HN 0.972 nan 8.180 nan 0.000 0.571 504 F N 0.714 120.846 119.950 0.304 0.000 2.599 504 F HA 0.918 5.445 4.527 0.000 0.000 0.311 504 F C -1.276 174.806 175.800 0.471 0.000 1.076 504 F CA -1.447 56.682 58.000 0.215 0.000 0.937 504 F CB 1.392 40.412 39.000 0.032 0.000 1.282 504 F HN 0.686 nan 8.300 nan 0.000 0.460 505 A N 1.771 124.978 122.820 0.644 0.000 2.414 505 A HA 0.955 5.275 4.320 0.000 0.000 0.306 505 A C -1.416 176.525 177.584 0.594 0.000 1.054 505 A CA -0.422 51.877 52.037 0.437 0.000 0.724 505 A CB 1.193 20.394 19.000 0.335 0.000 1.267 505 A HN 1.810 nan 8.150 nan 0.000 0.418 506 A N 2.188 125.279 122.820 0.452 0.000 2.356 506 A HA 0.849 5.169 4.320 0.000 0.000 0.310 506 A C -0.266 177.490 177.584 0.286 0.000 1.075 506 A CA -0.612 51.677 52.037 0.419 0.000 0.746 506 A CB 1.089 20.294 19.000 0.341 0.000 1.221 506 A HN 0.823 nan 8.150 nan 0.000 0.443 507 R N 2.213 122.911 120.500 0.330 0.000 2.725 507 R HA 0.529 4.869 4.340 0.000 0.000 0.277 507 R C -2.996 173.455 176.300 0.252 0.000 0.987 507 R CA -2.019 54.227 56.100 0.245 0.000 0.901 507 R CB 2.613 33.070 30.300 0.263 0.000 1.207 507 R HN 0.514 nan 8.270 nan 0.000 0.463 508 P HA -0.053 nan 4.420 nan 0.000 0.268 508 P C -0.262 177.135 177.300 0.162 0.000 1.204 508 P CA 0.076 63.286 63.100 0.184 0.000 0.768 508 P CB 1.018 32.792 31.700 0.124 0.000 0.842 509 S N 2.126 117.912 115.700 0.143 0.000 2.549 509 S HA 0.206 4.677 4.470 0.000 0.000 0.283 509 S C 1.878 176.530 174.600 0.086 0.000 1.320 509 S CA 0.186 58.445 58.200 0.099 0.000 1.058 509 S CB -0.240 62.996 63.200 0.059 0.000 0.882 509 S HN 0.566 nan 8.310 nan 0.000 0.498 510 G N 2.339 111.188 108.800 0.081 0.000 2.430 510 G HA2 -0.085 3.875 3.960 0.000 0.000 0.216 510 G HA3 -0.085 3.875 3.960 0.000 0.000 0.216 510 G C 1.352 176.284 174.900 0.053 0.000 1.146 510 G CA 1.012 46.153 45.100 0.069 0.000 0.793 510 G HN 0.880 nan 8.290 nan 0.000 0.537 511 T N -2.558 112.024 114.554 0.046 0.000 3.015 511 T HA 0.324 4.674 4.350 0.000 0.000 0.250 511 T C 0.619 175.336 174.700 0.028 0.000 1.057 511 T CA 0.040 62.160 62.100 0.034 0.000 1.066 511 T CB 0.478 69.363 68.868 0.028 0.000 0.959 511 T HN 0.317 nan 8.240 nan 0.000 0.488 512 E N 0.739 120.956 120.200 0.028 0.000 2.392 512 E HA 0.378 4.728 4.350 0.000 0.000 0.269 512 E C -1.537 175.078 176.600 0.024 0.000 0.924 512 E CA -0.995 55.416 56.400 0.018 0.000 0.784 512 E CB 1.358 31.060 29.700 0.003 0.000 1.292 512 E HN -0.013 nan 8.360 nan 0.000 0.447 513 D N 1.181 121.592 120.400 0.017 0.000 2.745 513 D HA 0.332 4.972 4.640 0.000 0.000 0.229 513 D C -0.824 175.485 176.300 0.016 0.000 1.088 513 D CA 0.468 54.482 54.000 0.024 0.000 1.054 513 D CB -0.038 40.772 40.800 0.017 0.000 1.132 513 D HN 0.453 nan 8.370 nan 0.000 0.464 514 A N 0.907 123.743 122.820 0.026 0.000 2.599 514 A HA 0.636 4.956 4.320 0.000 0.000 0.290 514 A C -1.602 176.029 177.584 0.080 0.000 1.101 514 A CA -1.096 50.933 52.037 -0.013 0.000 0.674 514 A CB 1.028 19.974 19.000 -0.090 0.000 1.277 514 A HN 0.233 nan 8.150 nan 0.000 0.419 515 Y N -0.481 119.829 120.300 0.016 0.000 2.468 515 Y HA 0.804 5.354 4.550 0.000 0.000 0.342 515 Y C -0.271 175.637 175.900 0.013 0.000 1.021 515 Y CA -1.028 57.092 58.100 0.033 0.000 1.079 515 Y CB 1.326 39.816 38.460 0.050 0.000 1.226 515 Y HN 0.557 nan 8.280 nan 0.000 0.460 516 K N 3.597 124.096 120.400 0.165 0.000 2.143 516 K HA 0.574 4.894 4.320 0.000 0.000 0.272 516 K C -1.205 175.466 176.600 0.118 0.000 1.001 516 K CA -0.511 55.782 56.287 0.011 0.000 0.915 516 K CB 1.388 33.864 32.500 -0.040 0.000 1.047 516 K HN 0.725 nan 8.250 nan 0.000 0.458 517 I N 3.592 124.135 120.570 -0.045 0.000 2.418 517 I HA 0.254 4.424 4.170 0.000 0.000 0.287 517 I C -1.042 175.018 176.117 -0.094 0.000 1.008 517 I CA -0.845 60.503 61.300 0.079 0.000 1.104 517 I CB 0.974 38.990 38.000 0.027 0.000 1.264 517 I HN 0.481 nan 8.210 nan 0.000 0.438 518 Y N 5.341 125.715 120.300 0.123 0.000 2.360 518 Y HA 0.626 5.176 4.550 0.000 0.000 0.337 518 Y C 0.332 176.059 175.900 -0.289 0.000 1.039 518 Y CA -0.695 57.389 58.100 -0.027 0.000 1.109 518 Y CB 1.659 40.279 38.460 0.267 0.000 1.201 518 Y HN 0.661 nan 8.280 nan 0.000 0.458 519 C N 0.736 119.641 119.300 -0.658 0.000 3.288 519 C HA 0.872 5.332 4.460 0.000 0.000 0.318 519 C C -1.180 173.102 174.990 -1.181 0.000 1.356 519 C CA -0.811 57.637 59.018 -0.950 0.000 1.359 519 C CB 1.768 29.264 27.740 -0.407 0.000 1.688 519 C HN 0.987 nan 8.230 nan 0.000 0.467 520 E N 0.563 120.083 120.200 -1.134 0.000 2.378 520 E HA 0.589 4.939 4.350 0.000 0.000 0.283 520 E C -1.742 174.673 176.600 -0.309 0.000 0.979 520 E CA 0.092 56.113 56.400 -0.632 0.000 0.795 520 E CB 2.241 31.704 29.700 -0.394 0.000 1.221 520 E HN 1.048 nan 8.360 nan 0.000 0.428 521 S N 3.372 119.036 115.700 -0.059 0.000 2.557 521 S HA 0.420 4.890 4.470 0.000 0.000 0.291 521 S C -0.428 174.256 174.600 0.140 0.000 1.116 521 S CA -0.535 57.762 58.200 0.160 0.000 0.992 521 S CB 0.630 63.991 63.200 0.267 0.000 1.028 521 S HN 0.514 nan 8.310 nan 0.000 0.484 522 F N 3.291 123.337 119.950 0.160 0.000 2.802 522 F HA 0.301 4.828 4.527 0.000 0.000 0.300 522 F C 1.450 177.296 175.800 0.077 0.000 1.168 522 F CA 0.555 58.631 58.000 0.126 0.000 1.433 522 F CB 0.121 39.196 39.000 0.125 0.000 1.115 522 F HN 0.539 nan 8.300 nan 0.000 0.582 523 L N -1.431 119.888 121.223 0.161 0.000 2.513 523 L HA 0.405 4.745 4.340 0.000 0.000 0.222 523 L C 1.099 178.011 176.870 0.069 0.000 1.096 523 L CA 0.386 55.254 54.840 0.048 0.000 0.857 523 L CB -0.415 41.541 42.059 -0.171 0.000 1.026 523 L HN 0.165 nan 8.230 nan 0.000 0.469 524 G N -0.226 108.632 108.800 0.098 0.000 2.343 524 G HA2 -0.156 3.805 3.960 0.000 0.000 0.465 524 G HA3 -0.156 3.805 3.960 0.000 0.000 0.465 524 G C 0.032 174.978 174.900 0.076 0.000 1.282 524 G CA -0.128 45.013 45.100 0.068 0.000 0.996 524 G HN -0.028 nan 8.290 nan 0.000 0.521 525 E N -0.388 119.841 120.200 0.048 0.000 2.038 525 E HA -0.190 4.160 4.350 0.000 0.000 0.195 525 E C 2.074 178.690 176.600 0.027 0.000 1.000 525 E CA 1.793 58.210 56.400 0.029 0.000 0.803 525 E CB -0.085 29.627 29.700 0.021 0.000 0.750 525 E HN 0.577 nan 8.360 nan 0.000 0.448 526 E N -0.181 120.045 120.200 0.044 0.000 2.070 526 E HA -0.281 4.069 4.350 0.000 0.000 0.197 526 E C 2.213 178.850 176.600 0.060 0.000 1.004 526 E CA 1.451 57.876 56.400 0.043 0.000 0.805 526 E CB -0.281 29.450 29.700 0.052 0.000 0.744 526 E HN 0.409 nan 8.360 nan 0.000 0.451 527 H N 0.493 119.564 119.070 0.001 0.000 2.357 527 H HA -0.089 4.467 4.556 0.000 0.000 0.301 527 H C 2.376 177.697 175.328 -0.011 0.000 1.082 527 H CA 1.591 57.642 56.048 0.006 0.000 1.342 527 H CB 0.019 29.795 29.762 0.024 0.000 1.389 527 H HN 0.088 nan 8.280 nan 0.000 0.511 528 R N 1.122 121.590 120.500 -0.054 0.000 2.091 528 R HA -0.131 4.209 4.340 0.000 0.000 0.238 528 R C 2.257 178.463 176.300 -0.157 0.000 1.136 528 R CA 1.620 57.636 56.100 -0.140 0.000 0.959 528 R CB -0.004 30.246 30.300 -0.084 0.000 0.856 528 R HN 0.332 nan 8.270 nan 0.000 0.437 529 K N -0.218 120.122 120.400 -0.100 0.000 2.148 529 K HA -0.187 4.133 4.320 0.000 0.000 0.204 529 K C 2.122 178.656 176.600 -0.110 0.000 1.050 529 K CA 1.303 57.534 56.287 -0.093 0.000 0.942 529 K CB -0.030 32.437 32.500 -0.055 0.000 0.724 529 K HN 0.060 nan 8.250 nan 0.000 0.446 530 Q N 1.234 120.959 119.800 -0.125 0.000 2.123 530 Q HA -0.017 4.323 4.340 0.000 0.000 0.199 530 Q C 1.687 177.587 176.000 -0.166 0.000 0.966 530 Q CA 1.227 56.956 55.803 -0.124 0.000 0.845 530 Q CB -0.018 28.662 28.738 -0.096 0.000 0.907 530 Q HN 0.289 nan 8.270 nan 0.000 0.439 531 I N 0.200 120.626 120.570 -0.240 0.000 2.226 531 I HA -0.281 3.890 4.170 0.000 0.000 0.245 531 I C 2.037 178.035 176.117 -0.199 0.000 1.100 531 I CA 1.401 62.582 61.300 -0.198 0.000 1.374 531 I CB -0.264 37.610 38.000 -0.210 0.000 1.057 531 I HN 0.310 nan 8.210 nan 0.000 0.413 532 E N 0.791 120.874 120.200 -0.195 0.000 2.038 532 E HA -0.307 4.043 4.350 0.000 0.000 0.195 532 E C 2.175 178.660 176.600 -0.193 0.000 1.000 532 E CA 1.458 57.739 56.400 -0.199 0.000 0.803 532 E CB -0.146 29.459 29.700 -0.159 0.000 0.750 532 E HN 0.344 nan 8.360 nan 0.000 0.448 533 K N 1.040 121.352 120.400 -0.146 0.000 2.001 533 K HA -0.246 4.074 4.320 0.000 0.000 0.214 533 K C 2.002 178.525 176.600 -0.128 0.000 1.050 533 K CA 1.824 58.042 56.287 -0.115 0.000 0.934 533 K CB -0.019 32.430 32.500 -0.084 0.000 0.718 533 K HN 0.099 nan 8.250 nan 0.000 0.443 534 E N -0.176 119.945 120.200 -0.133 0.000 2.110 534 E HA -0.176 4.174 4.350 0.000 0.000 0.193 534 E C 1.972 178.438 176.600 -0.225 0.000 0.988 534 E CA 0.845 57.174 56.400 -0.119 0.000 0.804 534 E CB -0.112 29.550 29.700 -0.062 0.000 0.745 534 E HN 0.438 nan 8.360 nan 0.000 0.458 535 A N 1.076 123.629 122.820 -0.446 0.000 1.908 535 A HA -0.185 4.135 4.320 0.000 0.000 0.218 535 A C 2.514 179.802 177.584 -0.494 0.000 1.181 535 A CA 1.460 52.905 52.037 -0.986 0.000 0.627 535 A CB -0.720 17.501 19.000 -1.297 0.000 0.818 535 A HN 0.128 nan 8.150 nan 0.000 0.445 536 V N 0.090 119.858 119.914 -0.244 0.000 2.358 536 V HA -0.259 3.861 4.120 0.000 0.000 0.246 536 V C 2.363 178.435 176.094 -0.037 0.000 1.047 536 V CA 2.159 64.423 62.300 -0.059 0.000 1.035 536 V CB -0.985 30.810 31.823 -0.046 0.000 0.658 536 V HN 0.639 nan 8.190 nan 0.000 0.452 537 E N 0.291 120.451 120.200 -0.066 0.000 2.038 537 E HA -0.235 4.115 4.350 0.000 0.000 0.195 537 E C 2.201 178.790 176.600 -0.019 0.000 1.000 537 E CA 1.843 58.224 56.400 -0.033 0.000 0.803 537 E CB -0.305 29.376 29.700 -0.033 0.000 0.750 537 E HN 0.541 nan 8.360 nan 0.000 0.448 538 I N 0.871 121.423 120.570 -0.030 0.000 2.163 538 I HA -0.271 3.900 4.170 0.000 0.000 0.243 538 I C 2.456 178.588 176.117 0.025 0.000 1.085 538 I CA 0.955 62.274 61.300 0.031 0.000 1.347 538 I CB -0.278 37.800 38.000 0.131 0.000 1.044 538 I HN -0.011 nan 8.210 nan 0.000 0.408 539 V N 0.018 119.922 119.914 -0.017 0.000 2.427 539 V HA -0.239 3.881 4.120 0.000 0.000 0.248 539 V C 2.513 178.572 176.094 -0.060 0.000 1.051 539 V CA 1.985 64.241 62.300 -0.073 0.000 1.048 539 V CB -0.508 31.178 31.823 -0.229 0.000 0.666 539 V HN 0.369 nan 8.190 nan 0.000 0.456 540 S N -0.165 115.537 115.700 0.004 0.000 2.370 540 S HA -0.284 4.186 4.470 0.000 0.000 0.226 540 S C 2.014 176.619 174.600 0.008 0.000 1.033 540 S CA 1.980 60.195 58.200 0.024 0.000 1.011 540 S CB -0.274 62.946 63.200 0.033 0.000 0.852 540 S HN 0.738 nan 8.310 nan 0.000 0.457 541 E N 1.415 121.619 120.200 0.006 0.000 2.047 541 E HA -0.119 4.232 4.350 0.000 0.000 0.191 541 E C 2.037 178.640 176.600 0.005 0.000 0.987 541 E CA 1.532 57.937 56.400 0.008 0.000 0.799 541 E CB -0.332 29.377 29.700 0.014 0.000 0.752 541 E HN 0.405 nan 8.360 nan 0.000 0.449 542 V N -0.573 119.342 119.914 0.000 0.000 2.626 542 V HA -0.096 4.024 4.120 0.000 0.000 0.252 542 V C 1.745 177.831 176.094 -0.014 0.000 1.067 542 V CA 1.557 63.855 62.300 -0.003 0.000 1.081 542 V CB -0.710 31.113 31.823 -0.001 0.000 0.686 542 V HN 0.369 nan 8.190 nan 0.000 0.468 543 L N -2.458 118.752 121.223 -0.023 0.000 2.858 543 L HA 0.580 4.920 4.340 0.000 0.000 0.251 543 L C 0.977 177.845 176.870 -0.003 0.000 1.149 543 L CA -0.137 54.691 54.840 -0.020 0.000 0.955 543 L CB -0.483 41.548 42.059 -0.045 0.000 1.289 543 L HN 0.031 nan 8.230 nan 0.000 0.542 544 K N 2.300 122.701 120.400 0.003 0.000 2.110 544 K HA 0.296 4.616 4.320 0.000 0.000 0.260 544 K C -0.211 176.393 176.600 0.007 0.000 1.126 544 K CA 0.337 56.630 56.287 0.009 0.000 1.005 544 K CB -1.133 31.375 32.500 0.012 0.000 1.336 544 K HN 0.527 nan 8.250 nan 0.000 0.369 545 N N 0.754 119.458 118.700 0.007 0.000 2.008 545 N HA 0.057 4.797 4.740 0.000 0.000 0.223 545 N C -1.330 174.184 175.510 0.007 0.000 1.477 545 N CA 0.180 53.233 53.050 0.006 0.000 1.006 545 N CB 0.351 38.841 38.487 0.005 0.000 1.044 545 N HN 0.446 nan 8.380 nan 0.000 0.646 546 A N 0.000 122.825 122.820 0.008 0.000 2.254 546 A HA 0.000 4.320 4.320 0.000 0.000 0.244 546 A CA 0.000 52.043 52.037 0.010 0.000 0.836 546 A CB 0.000 19.005 19.000 0.009 0.000 0.831 546 A HN 0.000 nan 8.150 nan 0.000 0.486