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 3na5_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 SLDAAMASGH DATA SEQUENCE VKAVDLVQPF VEGLADIVDM AAIQKAGLTL GVDPLGGSGI EYWKRIAEHY DATA SEQUENCE KLNLTLVNDQ VDQTFRFMHL DKDGAIRMDC SSEXAMAGLL ALRDKFDLAF DATA SEQUENCE ANDPDYDRHG IVTPAGLMNP NHYLAVAINY LFQHRPLWGK DVAVGKTLVS DATA SEQUENCE SAMIDRVVND LGRKLVEVPV GFKWFVDGLF DGSFGFGGEE SAGASFLRFD DATA SEQUENCE GTPWSTDKDG IIMCLLAAEI TAVTGKNPQE HYNELAARFG APSYNRLQAS DATA SEQUENCE ATSAQKAALS KLSPEMVSAS TLAGDPITAR LTAAPGNGAS IGGLKVMTDN 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 0.000 177.595 177.584 0.019 0.000 1.274 2 A CA 0.000 52.046 52.037 0.015 0.000 0.836 2 A CB 0.000 19.011 19.000 0.019 0.000 0.831 3 I N 1.086 121.677 120.570 0.035 0.000 3.565 3 I HA 0.146 4.316 4.170 0.000 0.000 0.287 3 I C 1.089 177.233 176.117 0.046 0.000 1.193 3 I CA 0.459 61.777 61.300 0.031 0.000 1.402 3 I CB -0.047 37.969 38.000 0.027 0.000 1.284 3 I HN 0.782 nan 8.210 nan 0.000 0.454 4 H N 1.430 120.490 119.070 -0.017 0.000 2.582 4 H HA 0.169 4.725 4.556 -0.000 0.000 0.345 4 H C 0.486 175.807 175.328 -0.011 0.000 1.104 4 H CA 0.548 56.587 56.048 -0.015 0.000 1.390 4 H CB 0.877 30.628 29.762 -0.019 0.000 1.461 4 H HN 0.219 nan 8.280 nan 0.000 0.551 5 N N 2.569 121.128 118.700 -0.236 0.000 2.272 5 N HA -0.108 4.632 4.740 0.000 0.000 0.185 5 N C 0.785 176.354 175.510 0.099 0.000 1.014 5 N CA 0.686 53.694 53.050 -0.071 0.000 0.870 5 N CB 0.298 38.698 38.487 -0.145 0.000 0.975 5 N HN 0.473 nan 8.380 nan 0.000 0.433 6 R N 0.566 121.285 120.500 0.364 0.000 2.468 6 R HA 0.290 4.630 4.340 0.000 0.000 0.280 6 R C -0.247 176.140 176.300 0.146 0.000 0.963 6 R CA -0.359 55.879 56.100 0.231 0.000 1.083 6 R CB 0.680 31.103 30.300 0.205 0.000 1.200 6 R HN 0.043 nan 8.270 nan 0.000 0.541 7 A N 0.704 123.620 122.820 0.161 0.000 2.567 7 A HA 0.321 4.641 4.320 0.000 0.000 0.240 7 A C 1.359 178.979 177.584 0.060 0.000 1.053 7 A CA 1.148 53.225 52.037 0.067 0.000 0.755 7 A CB -0.259 18.781 19.000 0.067 0.000 0.978 7 A HN 0.584 nan 8.150 nan 0.000 0.507 8 G N 1.348 110.183 108.800 0.058 0.000 2.184 8 G HA2 -0.245 3.715 3.960 0.000 0.000 0.264 8 G HA3 -0.245 3.715 3.960 0.000 0.000 0.264 8 G C 0.227 175.251 174.900 0.206 0.000 0.975 8 G CA 0.709 45.872 45.100 0.105 0.000 0.642 8 G HN 0.987 nan 8.290 nan 0.000 0.536 9 Q N 0.709 120.580 119.800 0.118 0.000 2.260 9 Q HA 0.436 4.776 4.340 0.000 0.000 0.242 9 Q C -2.437 173.503 176.000 -0.100 0.000 0.932 9 Q CA -1.975 53.870 55.803 0.070 0.000 0.891 9 Q CB 1.048 29.803 28.738 0.029 0.000 1.222 9 Q HN 0.150 nan 8.270 nan 0.000 0.453 10 P HA -0.064 nan 4.420 nan 0.000 0.266 10 P C -1.035 176.142 177.300 -0.205 0.000 1.195 10 P CA 0.210 63.048 63.100 -0.436 0.000 0.768 10 P CB 0.409 31.911 31.700 -0.330 0.000 0.838 11 A N 3.767 126.473 122.820 -0.189 0.000 2.531 11 A HA 0.044 4.364 4.320 0.000 0.000 0.236 11 A C 0.338 177.867 177.584 -0.092 0.000 1.062 11 A CA 0.245 52.206 52.037 -0.127 0.000 0.760 11 A CB -0.331 18.589 19.000 -0.133 0.000 0.995 11 A HN 0.552 nan 8.150 nan 0.000 0.501 12 Q N 0.410 120.171 119.800 -0.065 0.000 2.193 12 Q HA 0.231 4.571 4.340 0.000 0.000 0.246 12 Q C 0.552 176.530 176.000 -0.036 0.000 0.959 12 Q CA -1.081 54.696 55.803 -0.042 0.000 0.904 12 Q CB 0.582 29.305 28.738 -0.025 0.000 1.238 12 Q HN 0.749 nan 8.270 nan 0.000 0.469 13 Q N 0.396 120.181 119.800 -0.024 0.000 2.152 13 Q HA -0.168 4.172 4.340 0.000 0.000 0.206 13 Q C 2.022 178.013 176.000 -0.016 0.000 0.985 13 Q CA 2.070 57.862 55.803 -0.018 0.000 0.863 13 Q CB -0.459 28.273 28.738 -0.010 0.000 0.904 13 Q HN 0.814 nan 8.270 nan 0.000 0.422 14 S N 0.409 116.102 115.700 -0.013 0.000 2.474 14 S HA -0.101 4.369 4.470 0.000 0.000 0.235 14 S C 1.109 175.701 174.600 -0.014 0.000 0.997 14 S CA 0.948 59.143 58.200 -0.008 0.000 0.949 14 S CB 0.021 63.220 63.200 -0.002 0.000 0.766 14 S HN 0.180 nan 8.310 nan 0.000 0.517 15 D N 1.188 121.571 120.400 -0.027 0.000 2.347 15 D HA 0.226 4.866 4.640 0.000 0.000 0.213 15 D C 0.441 176.717 176.300 -0.039 0.000 0.985 15 D CA 0.275 54.250 54.000 -0.042 0.000 0.879 15 D CB 0.042 40.803 40.800 -0.065 0.000 0.919 15 D HN 0.451 nan 8.370 nan 0.000 0.526 16 L N 1.435 122.641 121.223 -0.028 0.000 2.357 16 L HA 0.389 4.729 4.340 0.000 0.000 0.273 16 L C 0.818 177.684 176.870 -0.007 0.000 1.080 16 L CA -1.039 53.788 54.840 -0.021 0.000 0.803 16 L CB 1.489 43.536 42.059 -0.021 0.000 1.174 16 L HN -0.120 nan 8.230 nan 0.000 0.443 17 I N -0.975 119.597 120.570 0.003 0.000 2.886 17 I HA 0.266 4.436 4.170 0.000 0.000 0.299 17 I C 0.162 176.291 176.117 0.019 0.000 1.044 17 I CA -0.404 60.905 61.300 0.014 0.000 1.310 17 I CB 0.678 38.693 38.000 0.026 0.000 1.441 17 I HN 0.545 nan 8.210 nan 0.000 0.578 18 N N 3.601 122.316 118.700 0.024 0.000 2.469 18 N HA 0.169 4.909 4.740 0.000 0.000 0.239 18 N C 0.568 176.101 175.510 0.039 0.000 1.053 18 N CA -0.273 52.794 53.050 0.028 0.000 0.937 18 N CB 1.457 39.960 38.487 0.027 0.000 1.163 18 N HN 0.668 nan 8.380 nan 0.000 0.509 19 V N 3.776 123.713 119.914 0.039 0.000 2.295 19 V HA -0.237 3.883 4.120 0.000 0.000 0.246 19 V C 2.334 178.466 176.094 0.063 0.000 1.049 19 V CA 2.368 64.699 62.300 0.052 0.000 1.024 19 V CB -0.900 30.948 31.823 0.043 0.000 0.648 19 V HN 0.757 nan 8.190 nan 0.000 0.447 20 A N -1.005 121.850 122.820 0.057 0.000 1.930 20 A HA -0.274 4.046 4.320 0.000 0.000 0.217 20 A C 2.265 179.896 177.584 0.078 0.000 1.175 20 A CA 1.935 54.013 52.037 0.068 0.000 0.627 20 A CB -0.528 18.504 19.000 0.053 0.000 0.815 20 A HN 0.601 nan 8.150 nan 0.000 0.443 21 Q N -0.786 119.053 119.800 0.064 0.000 2.050 21 Q HA -0.198 4.142 4.340 0.000 0.000 0.202 21 Q C 2.026 178.074 176.000 0.080 0.000 0.980 21 Q CA 1.807 57.649 55.803 0.066 0.000 0.840 21 Q CB -0.253 28.514 28.738 0.048 0.000 0.898 21 Q HN 0.546 nan 8.270 nan 0.000 0.424 22 L N 0.537 121.805 121.223 0.075 0.000 2.046 22 L HA -0.154 4.186 4.340 0.000 0.000 0.208 22 L C 2.140 179.086 176.870 0.127 0.000 1.077 22 L CA 2.196 57.086 54.840 0.084 0.000 0.747 22 L CB -0.762 41.341 42.059 0.073 0.000 0.896 22 L HN 0.183 nan 8.230 nan 0.000 0.432 23 T N -0.260 114.375 114.554 0.136 0.000 2.821 23 T HA -0.099 4.251 4.350 0.000 0.000 0.267 23 T C 1.921 176.792 174.700 0.284 0.000 1.046 23 T CA 1.154 63.361 62.100 0.179 0.000 1.139 23 T CB -0.486 68.474 68.868 0.153 0.000 0.871 23 T HN 0.527 nan 8.240 nan 0.000 0.454 24 A N 1.564 124.524 122.820 0.233 0.000 1.902 24 A HA -0.189 4.131 4.320 0.000 0.000 0.217 24 A C 2.264 180.000 177.584 0.253 0.000 1.181 24 A CA 1.554 53.747 52.037 0.260 0.000 0.623 24 A CB -0.692 18.399 19.000 0.151 0.000 0.818 24 A HN 0.540 nan 8.150 nan 0.000 0.443 25 Q N -2.067 117.833 119.800 0.166 0.000 2.181 25 Q HA -0.227 4.113 4.340 0.000 0.000 0.205 25 Q C 1.871 177.933 176.000 0.103 0.000 0.980 25 Q CA 1.677 57.540 55.803 0.100 0.000 0.862 25 Q CB -0.405 28.355 28.738 0.037 0.000 0.905 25 Q HN 0.853 nan 8.270 nan 0.000 0.429 26 Y N -0.171 120.120 120.300 -0.014 0.000 2.151 26 Y HA -0.343 4.207 4.550 0.000 0.000 0.284 26 Y C 1.370 177.112 175.900 -0.263 0.000 1.166 26 Y CA 1.834 59.835 58.100 -0.165 0.000 1.163 26 Y CB -0.099 38.171 38.460 -0.317 0.000 0.974 26 Y HN 0.119 nan 8.280 nan 0.000 0.511 27 Y N -1.667 118.761 120.300 0.214 0.000 2.347 27 Y HA -0.024 4.526 4.550 -0.000 0.000 0.294 27 Y C 2.438 178.357 175.900 0.032 0.000 1.117 27 Y CA 1.241 59.407 58.100 0.109 0.000 1.184 27 Y CB -0.475 38.080 38.460 0.160 0.000 1.047 27 Y HN 0.088 nan 8.280 nan 0.000 0.546 28 V N -2.397 117.624 119.914 0.179 0.000 3.590 28 V HA 0.237 4.357 4.120 0.000 0.000 0.265 28 V C 0.357 176.487 176.094 0.061 0.000 1.239 28 V CA 0.160 62.526 62.300 0.110 0.000 1.117 28 V CB -0.488 31.398 31.823 0.106 0.000 0.818 28 V HN 0.067 nan 8.190 nan 0.000 0.451 29 L N 1.994 123.234 121.223 0.028 0.000 2.334 29 L HA 0.664 5.004 4.340 0.000 0.000 0.272 29 L C -0.290 176.586 176.870 0.009 0.000 1.020 29 L CA -0.721 54.131 54.840 0.020 0.000 0.812 29 L CB 2.006 44.008 42.059 -0.094 0.000 1.264 29 L HN 0.353 nan 8.230 nan 0.000 0.439 30 K N 1.228 121.682 120.400 0.090 0.000 2.482 30 K HA 0.654 4.974 4.320 0.000 0.000 0.257 30 K C -2.981 173.676 176.600 0.095 0.000 0.969 30 K CA -1.900 54.400 56.287 0.021 0.000 0.842 30 K CB 2.097 34.583 32.500 -0.022 0.000 1.359 30 K HN 0.140 nan 8.250 nan 0.000 0.441 31 P HA -0.021 nan 4.420 nan 0.000 0.271 31 P C -0.943 176.446 177.300 0.148 0.000 1.218 31 P CA 0.029 63.187 63.100 0.097 0.000 0.780 31 P CB 0.702 32.418 31.700 0.027 0.000 0.901 32 E N 1.912 122.333 120.200 0.369 0.000 2.217 32 E HA 0.313 4.663 4.350 0.000 0.000 0.279 32 E C -0.070 176.563 176.600 0.055 0.000 1.068 32 E CA -0.688 55.798 56.400 0.142 0.000 0.882 32 E CB 0.313 30.055 29.700 0.070 0.000 1.039 32 E HN 0.483 nan 8.360 nan 0.000 0.418 33 A N 3.747 126.574 122.820 0.012 0.000 2.591 33 A HA 0.252 4.572 4.320 0.000 0.000 0.244 33 A C 1.342 178.913 177.584 -0.023 0.000 1.031 33 A CA 0.910 52.941 52.037 -0.011 0.000 0.767 33 A CB -0.544 18.446 19.000 -0.018 0.000 0.942 33 A HN 1.113 nan 8.150 nan 0.000 0.514 34 G N 1.775 110.560 108.800 -0.024 0.000 2.199 34 G HA2 -0.275 3.685 3.960 0.000 0.000 0.254 34 G HA3 -0.275 3.685 3.960 0.000 0.000 0.254 34 G C 0.359 175.228 174.900 -0.051 0.000 0.982 34 G CA 0.411 45.492 45.100 -0.032 0.000 0.632 34 G HN 1.154 nan 8.290 nan 0.000 0.529 35 N N 1.141 119.793 118.700 -0.081 0.000 2.437 35 N HA 0.593 5.333 4.740 0.000 0.000 0.243 35 N C 1.441 176.883 175.510 -0.113 0.000 1.041 35 N CA 0.670 53.619 53.050 -0.169 0.000 0.940 35 N CB 0.954 39.203 38.487 -0.397 0.000 1.133 35 N HN 0.496 nan 8.380 nan 0.000 0.506 36 A N 3.957 126.738 122.820 -0.065 0.000 2.019 36 A HA -0.135 4.185 4.320 0.000 0.000 0.219 36 A C 1.645 179.247 177.584 0.030 0.000 1.164 36 A CA 1.288 53.324 52.037 -0.002 0.000 0.644 36 A CB -0.284 18.719 19.000 0.004 0.000 0.805 36 A HN 0.826 nan 8.150 nan 0.000 0.449 37 E N -1.050 119.135 120.200 -0.024 0.000 2.338 37 E HA -0.155 4.195 4.350 0.000 0.000 0.197 37 E C 1.053 177.811 176.600 0.264 0.000 1.007 37 E CA 1.032 57.474 56.400 0.070 0.000 0.849 37 E CB -0.238 29.482 29.700 0.034 0.000 0.774 37 E HN 0.886 nan 8.360 nan 0.000 0.506 38 H N -0.569 118.579 119.070 0.130 0.000 2.586 38 H HA 0.341 4.897 4.556 0.000 0.000 0.273 38 H C 0.526 176.024 175.328 0.282 0.000 0.997 38 H CA -0.618 55.560 56.048 0.216 0.000 1.177 38 H CB 0.611 30.483 29.762 0.183 0.000 1.471 38 H HN 0.034 nan 8.280 nan 0.000 0.538 39 A N 1.303 124.298 122.820 0.292 0.000 2.346 39 A HA 0.280 4.600 4.320 0.000 0.000 0.252 39 A C 0.364 178.097 177.584 0.249 0.000 1.089 39 A CA -0.422 51.744 52.037 0.214 0.000 0.797 39 A CB 0.400 19.476 19.000 0.125 0.000 1.047 39 A HN 0.089 nan 8.150 nan 0.000 0.494 40 V N 1.367 121.362 119.914 0.135 0.000 2.585 40 V HA 0.126 4.246 4.120 0.000 0.000 0.296 40 V C 0.336 176.576 176.094 0.242 0.000 1.035 40 V CA 0.645 62.971 62.300 0.042 0.000 1.084 40 V CB 0.430 32.198 31.823 -0.092 0.000 0.953 40 V HN 0.772 nan 8.190 nan 0.000 0.483 41 K N 5.572 126.279 120.400 0.512 0.000 2.575 41 K HA 0.385 4.705 4.320 0.000 0.000 0.236 41 K C -1.196 175.641 176.600 0.396 0.000 0.976 41 K CA -0.267 56.231 56.287 0.351 0.000 0.985 41 K CB 1.310 33.951 32.500 0.235 0.000 1.198 41 K HN 0.549 nan 8.250 nan 0.000 0.464 42 F N 2.314 122.357 119.950 0.155 0.000 2.359 42 F HA 0.495 5.022 4.527 -0.000 0.000 0.369 42 F C 0.265 176.115 175.800 0.083 0.000 1.084 42 F CA -0.312 57.769 58.000 0.135 0.000 1.096 42 F CB 0.736 39.795 39.000 0.099 0.000 1.335 42 F HN 0.533 nan 8.300 nan 0.000 0.457 43 G N 1.624 110.306 108.800 -0.196 0.000 3.234 43 G HA2 0.205 4.165 3.960 0.000 0.000 0.159 43 G HA3 0.205 4.165 3.960 0.000 0.000 0.159 43 G C 0.796 175.552 174.900 -0.240 0.000 1.175 43 G CA 0.179 45.193 45.100 -0.143 0.000 0.900 43 G HN 0.453 nan 8.290 nan 0.000 0.621 44 T N -1.974 112.493 114.554 -0.145 0.000 2.833 44 T HA -0.061 4.289 4.350 0.000 0.000 0.269 44 T C 1.784 176.387 174.700 -0.161 0.000 1.054 44 T CA 2.150 64.170 62.100 -0.133 0.000 1.135 44 T CB -0.183 68.638 68.868 -0.079 0.000 0.869 44 T HN 0.177 nan 8.240 nan 0.000 0.466 45 S N 0.590 116.186 115.700 -0.173 0.000 2.575 45 S HA 0.584 5.054 4.470 0.000 0.000 0.237 45 S C 1.094 175.560 174.600 -0.224 0.000 0.975 45 S CA -0.173 57.926 58.200 -0.168 0.000 0.960 45 S CB -0.096 63.026 63.200 -0.130 0.000 0.822 45 S HN 1.125 nan 8.310 nan 0.000 0.472 46 G N 1.737 110.277 108.800 -0.432 0.000 2.593 46 G HA2 -0.256 3.704 3.960 0.000 0.000 0.237 46 G HA3 -0.256 3.704 3.960 0.000 0.000 0.237 46 G C -0.539 174.234 174.900 -0.212 0.000 1.312 46 G CA -0.267 44.434 45.100 -0.665 0.000 0.896 46 G HN 0.620 nan 8.290 nan 0.000 0.574 47 H N 0.973 120.092 119.070 0.082 0.000 2.459 47 H HA 0.787 5.343 4.556 -0.000 0.000 0.332 47 H C 0.544 175.996 175.328 0.208 0.000 1.094 47 H CA -0.532 55.646 56.048 0.217 0.000 1.224 47 H CB 0.693 30.677 29.762 0.369 0.000 1.449 47 H HN 0.658 nan 8.280 nan 0.000 0.484 48 R N 3.280 123.482 120.500 -0.497 0.000 2.807 48 R HA 0.694 5.034 4.340 0.000 0.000 0.276 48 R C -0.735 175.306 176.300 -0.432 0.000 0.979 48 R CA -0.634 55.269 56.100 -0.328 0.000 0.928 48 R CB 2.372 32.532 30.300 -0.233 0.000 1.191 48 R HN 0.874 nan 8.270 nan 0.000 0.471 49 G N -0.260 108.416 108.800 -0.206 0.000 2.428 49 G HA2 0.335 4.295 3.960 0.000 0.000 0.305 49 G HA3 0.335 4.295 3.960 0.000 0.000 0.305 49 G C -1.673 173.183 174.900 -0.073 0.000 1.260 49 G CA -0.362 44.688 45.100 -0.084 0.000 0.853 49 G HN 0.426 nan 8.290 nan 0.000 0.480 50 S N -1.499 114.216 115.700 0.024 0.000 2.548 50 S HA 0.614 5.084 4.470 0.000 0.000 0.276 50 S C 1.129 175.776 174.600 0.079 0.000 1.129 50 S CA 0.786 59.000 58.200 0.023 0.000 0.931 50 S CB 1.438 64.627 63.200 -0.019 0.000 1.068 50 S HN 1.918 nan 8.310 nan 0.000 0.480 51 A N 3.577 126.477 122.820 0.132 0.000 1.978 51 A HA 0.079 4.399 4.320 0.000 0.000 0.220 51 A C 1.962 179.495 177.584 -0.085 0.000 1.170 51 A CA 2.090 54.179 52.037 0.087 0.000 0.636 51 A CB -1.281 17.825 19.000 0.177 0.000 0.810 51 A HN 1.171 nan 8.150 nan 0.000 0.448 52 G N -1.184 107.576 108.800 -0.067 0.000 2.598 52 G HA2 -0.068 3.892 3.960 0.000 0.000 0.215 52 G HA3 -0.068 3.892 3.960 0.000 0.000 0.215 52 G C 1.428 176.218 174.900 -0.183 0.000 1.131 52 G CA 0.412 45.435 45.100 -0.127 0.000 0.785 52 G HN 0.562 nan 8.290 nan 0.000 0.539 53 R N -0.374 120.057 120.500 -0.114 0.000 2.468 53 R HA 0.169 4.509 4.340 0.000 0.000 0.280 53 R C 0.086 176.390 176.300 0.007 0.000 0.963 53 R CA -0.380 55.737 56.100 0.029 0.000 1.083 53 R CB -0.023 30.322 30.300 0.075 0.000 1.200 53 R HN 0.469 nan 8.270 nan 0.000 0.541 54 H N -0.433 118.538 119.070 -0.165 0.000 2.861 54 H HA -0.136 4.420 4.556 0.000 0.000 0.289 54 H C 0.312 175.537 175.328 -0.172 0.000 1.176 54 H CA 1.183 57.055 56.048 -0.294 0.000 1.146 54 H CB -1.654 27.638 29.762 -0.784 0.000 1.330 54 H HN 0.380 nan 8.280 nan 0.000 0.379 55 S N -1.036 114.672 115.700 0.013 0.000 2.730 55 S HA 0.360 4.830 4.470 0.000 0.000 0.244 55 S C -0.123 174.356 174.600 -0.202 0.000 1.022 55 S CA -0.462 57.703 58.200 -0.058 0.000 1.014 55 S CB 0.455 63.702 63.200 0.077 0.000 0.963 55 S HN 0.299 nan 8.310 nan 0.000 0.540 56 F N 1.897 121.685 119.950 -0.270 0.000 3.397 56 F HA 0.470 4.997 4.527 -0.000 0.000 0.406 56 F C -1.248 174.568 175.800 0.026 0.000 1.166 56 F CA -0.387 57.542 58.000 -0.119 0.000 1.322 56 F CB 0.292 39.297 39.000 0.009 0.000 2.322 56 F HN 0.044 nan 8.300 nan 0.000 0.709 57 N N 1.615 120.297 118.700 -0.030 0.000 2.629 57 N HA 0.257 4.997 4.740 0.000 0.000 0.279 57 N C 0.621 175.544 175.510 -0.979 0.000 1.344 57 N CA -0.841 51.914 53.050 -0.492 0.000 0.789 57 N CB 1.155 39.527 38.487 -0.193 0.000 1.508 57 N HN 0.460 nan 8.380 nan 0.000 0.516 58 E N 0.320 119.618 120.200 -1.503 0.000 2.086 58 E HA -0.163 4.187 4.350 0.000 0.000 0.200 58 E C -0.997 175.326 176.600 -0.462 0.000 1.012 58 E CA 1.819 57.617 56.400 -1.004 0.000 0.812 58 E CB -0.554 28.813 29.700 -0.555 0.000 0.743 58 E HN 0.416 nan 8.360 nan 0.000 0.453 59 P HA -0.129 nan 4.420 nan 0.000 0.217 59 P C 0.450 177.530 177.300 -0.367 0.000 1.150 59 P CA 1.603 64.496 63.100 -0.345 0.000 0.832 59 P CB -0.110 31.370 31.700 -0.366 0.000 0.787 60 H N -0.960 117.910 119.070 -0.333 0.000 2.319 60 H HA -0.105 4.451 4.556 -0.000 0.000 0.299 60 H C 1.786 176.902 175.328 -0.354 0.000 1.092 60 H CA 1.170 56.999 56.048 -0.366 0.000 1.302 60 H CB -0.734 28.752 29.762 -0.460 0.000 1.373 60 H HN 0.048 nan 8.280 nan 0.000 0.497 61 I N 0.304 120.740 120.570 -0.224 0.000 2.353 61 I HA -0.157 4.013 4.170 0.000 0.000 0.248 61 I C 2.223 178.269 176.117 -0.120 0.000 1.119 61 I CA 0.946 62.147 61.300 -0.166 0.000 1.417 61 I CB -1.086 36.864 38.000 -0.084 0.000 1.078 61 I HN 0.272 nan 8.210 nan 0.000 0.421 62 L N 0.877 122.024 121.223 -0.127 0.000 2.042 62 L HA -0.194 4.146 4.340 0.000 0.000 0.210 62 L C 2.808 179.599 176.870 -0.132 0.000 1.076 62 L CA 1.532 56.307 54.840 -0.108 0.000 0.749 62 L CB -0.691 41.305 42.059 -0.104 0.000 0.893 62 L HN 0.199 nan 8.230 nan 0.000 0.432 63 A N 0.127 122.850 122.820 -0.163 0.000 1.898 63 A HA -0.149 4.171 4.320 0.000 0.000 0.216 63 A C 2.195 179.660 177.584 -0.200 0.000 1.181 63 A CA 1.419 53.353 52.037 -0.172 0.000 0.620 63 A CB -0.593 18.297 19.000 -0.184 0.000 0.819 63 A HN 0.342 nan 8.150 nan 0.000 0.442 64 I N -0.282 120.155 120.570 -0.222 0.000 2.252 64 I HA -0.240 3.930 4.170 0.000 0.000 0.245 64 I C 2.949 178.913 176.117 -0.255 0.000 1.102 64 I CA 0.955 62.077 61.300 -0.296 0.000 1.385 64 I CB -0.282 37.550 38.000 -0.281 0.000 1.064 64 I HN 0.348 nan 8.210 nan 0.000 0.414 65 A N 0.168 122.887 122.820 -0.168 0.000 1.902 65 A HA -0.293 4.027 4.320 0.000 0.000 0.217 65 A C 2.237 179.727 177.584 -0.157 0.000 1.181 65 A CA 1.983 53.938 52.037 -0.136 0.000 0.623 65 A CB -0.609 18.338 19.000 -0.088 0.000 0.818 65 A HN 0.413 nan 8.150 nan 0.000 0.443 66 Q N -0.044 119.664 119.800 -0.152 0.000 2.084 66 Q HA -0.030 4.310 4.340 0.000 0.000 0.202 66 Q C 2.044 177.944 176.000 -0.168 0.000 0.978 66 Q CA 2.257 57.974 55.803 -0.143 0.000 0.844 66 Q CB -0.646 28.016 28.738 -0.127 0.000 0.898 66 Q HN 0.541 nan 8.270 nan 0.000 0.426 67 A N 0.081 122.779 122.820 -0.204 0.000 1.902 67 A HA -0.129 4.191 4.320 0.000 0.000 0.217 67 A C 2.154 179.578 177.584 -0.267 0.000 1.181 67 A CA 1.494 53.395 52.037 -0.227 0.000 0.623 67 A CB -0.713 18.123 19.000 -0.273 0.000 0.818 67 A HN 0.481 nan 8.150 nan 0.000 0.443 68 I N -0.364 120.014 120.570 -0.320 0.000 2.252 68 I HA -0.253 3.917 4.170 0.000 0.000 0.245 68 I C 2.990 178.927 176.117 -0.301 0.000 1.102 68 I CA 0.932 61.987 61.300 -0.408 0.000 1.385 68 I CB -0.355 37.383 38.000 -0.438 0.000 1.064 68 I HN 0.357 nan 8.210 nan 0.000 0.414 69 A N 0.644 123.339 122.820 -0.208 0.000 1.883 69 A HA -0.267 4.053 4.320 0.000 0.000 0.217 69 A C 2.202 179.704 177.584 -0.136 0.000 1.186 69 A CA 2.018 53.964 52.037 -0.152 0.000 0.624 69 A CB -0.664 18.257 19.000 -0.132 0.000 0.822 69 A HN 0.459 nan 8.150 nan 0.000 0.444 70 E N -1.046 119.071 120.200 -0.139 0.000 2.047 70 E HA -0.208 4.142 4.350 0.000 0.000 0.191 70 E C 2.110 178.645 176.600 -0.109 0.000 0.987 70 E CA 1.281 57.613 56.400 -0.112 0.000 0.799 70 E CB -0.123 29.512 29.700 -0.108 0.000 0.752 70 E HN 0.708 nan 8.360 nan 0.000 0.449 71 E N 1.357 121.470 120.200 -0.144 0.000 2.077 71 E HA -0.214 4.136 4.350 0.000 0.000 0.193 71 E C 2.040 178.585 176.600 -0.091 0.000 0.989 71 E CA 1.691 58.016 56.400 -0.125 0.000 0.800 71 E CB -0.061 29.534 29.700 -0.174 0.000 0.746 71 E HN 0.252 nan 8.360 nan 0.000 0.452 72 R N 0.252 120.682 120.500 -0.116 0.000 2.075 72 R HA 0.010 4.350 4.340 0.000 0.000 0.232 72 R C 2.347 178.635 176.300 -0.020 0.000 1.126 72 R CA 1.354 57.435 56.100 -0.032 0.000 0.963 72 R CB -0.762 29.534 30.300 -0.007 0.000 0.858 72 R HN 0.153 nan 8.270 nan 0.000 0.435 73 A N 1.750 124.543 122.820 -0.044 0.000 1.883 73 A HA -0.190 4.130 4.320 0.000 0.000 0.217 73 A C 2.585 180.154 177.584 -0.025 0.000 1.186 73 A CA 2.704 54.721 52.037 -0.034 0.000 0.624 73 A CB -0.927 18.045 19.000 -0.046 0.000 0.822 73 A HN 0.553 nan 8.150 nan 0.000 0.444 74 K N -0.132 120.249 120.400 -0.032 0.000 2.152 74 K HA -0.143 4.177 4.320 0.000 0.000 0.206 74 K C 1.355 177.948 176.600 -0.012 0.000 1.048 74 K CA 1.812 58.084 56.287 -0.024 0.000 0.933 74 K CB -0.898 31.584 32.500 -0.031 0.000 0.721 74 K HN 0.597 nan 8.250 nan 0.000 0.447 75 N N -0.489 118.208 118.700 -0.005 0.000 2.314 75 N HA 0.165 4.905 4.740 0.000 0.000 0.200 75 N C 0.858 176.375 175.510 0.011 0.000 1.135 75 N CA 0.697 53.752 53.050 0.008 0.000 0.835 75 N CB 0.611 39.113 38.487 0.025 0.000 0.989 75 N HN 0.618 nan 8.380 nan 0.000 0.478 76 G N 0.988 109.792 108.800 0.007 0.000 2.198 76 G HA2 -0.270 3.690 3.960 0.000 0.000 0.257 76 G HA3 -0.270 3.690 3.960 0.000 0.000 0.257 76 G C -0.136 174.775 174.900 0.018 0.000 1.042 76 G CA -0.203 44.903 45.100 0.010 0.000 0.791 76 G HN 0.358 nan 8.290 nan 0.000 0.502 77 I N 1.372 121.954 120.570 0.020 0.000 2.328 77 I HA 0.416 4.586 4.170 0.000 0.000 0.287 77 I C 1.220 177.346 176.117 0.015 0.000 1.012 77 I CA 0.162 61.478 61.300 0.028 0.000 1.195 77 I CB 1.521 39.551 38.000 0.050 0.000 1.350 77 I HN 0.230 nan 8.210 nan 0.000 0.464 78 T N 0.391 114.956 114.554 0.017 0.000 3.111 78 T HA 0.268 4.618 4.350 0.000 0.000 0.284 78 T C 0.720 175.427 174.700 0.012 0.000 0.983 78 T CA -0.270 61.835 62.100 0.009 0.000 0.900 78 T CB 0.349 69.224 68.868 0.012 0.000 1.132 78 T HN 0.537 nan 8.240 nan 0.000 0.531 79 G N 2.682 111.490 108.800 0.013 0.000 2.508 79 G HA2 0.601 4.561 3.960 0.000 0.000 0.278 79 G HA3 0.601 4.561 3.960 0.000 0.000 0.278 79 G C -2.531 172.326 174.900 -0.072 0.000 1.389 79 G CA -1.405 43.693 45.100 -0.004 0.000 1.050 79 G HN 0.273 nan 8.290 nan 0.000 0.522 80 P HA 0.258 nan 4.420 nan 0.000 0.276 80 P C -0.926 176.248 177.300 -0.211 0.000 1.252 80 P CA -0.408 62.560 63.100 -0.220 0.000 0.802 80 P CB 1.466 32.949 31.700 -0.361 0.000 1.035 81 C N 3.112 122.313 119.300 -0.166 0.000 2.271 81 C HA 0.436 4.896 4.460 0.000 0.000 0.323 81 C C -0.368 174.562 174.990 -0.100 0.000 1.245 81 C CA -0.598 58.387 59.018 -0.055 0.000 1.548 81 C CB -1.858 25.892 27.740 0.017 0.000 2.214 81 C HN 0.409 nan 8.230 nan 0.000 0.477 82 Y N 4.659 124.962 120.300 0.006 0.000 2.537 82 Y HA 0.346 4.896 4.550 -0.000 0.000 0.339 82 Y C 0.608 176.551 175.900 0.072 0.000 1.066 82 Y CA 0.255 58.373 58.100 0.030 0.000 1.357 82 Y CB 0.589 39.052 38.460 0.005 0.000 1.175 82 Y HN 0.445 nan 8.280 nan 0.000 0.525 83 V N 4.428 124.473 119.914 0.218 0.000 2.313 83 V HA 0.561 4.681 4.120 0.000 0.000 0.278 83 V C 0.467 176.727 176.094 0.275 0.000 1.017 83 V CA -0.720 61.731 62.300 0.252 0.000 0.823 83 V CB 1.004 32.980 31.823 0.255 0.000 1.010 83 V HN 0.907 nan 8.190 nan 0.000 0.443 84 G N 4.322 113.235 108.800 0.188 0.000 2.417 84 G HA2 0.768 4.728 3.960 0.000 0.000 0.334 84 G HA3 0.768 4.728 3.960 0.000 0.000 0.334 84 G C -0.789 174.152 174.900 0.067 0.000 1.150 84 G CA -0.720 44.432 45.100 0.087 0.000 0.923 84 G HN 0.724 nan 8.290 nan 0.000 0.485 85 K N 0.154 120.541 120.400 -0.022 0.000 2.435 85 K HA 0.561 4.881 4.320 0.000 0.000 0.251 85 K C -1.222 175.481 176.600 0.173 0.000 0.954 85 K CA -0.899 55.413 56.287 0.042 0.000 0.820 85 K CB 2.549 34.990 32.500 -0.098 0.000 1.292 85 K HN 0.524 nan 8.250 nan 0.000 0.436 86 D N 0.287 120.809 120.400 0.203 0.000 2.511 86 D HA 0.050 4.690 4.640 0.000 0.000 0.276 86 D C 0.565 176.984 176.300 0.199 0.000 1.220 86 D CA -0.282 53.840 54.000 0.203 0.000 1.077 86 D CB 0.647 41.551 40.800 0.173 0.000 1.126 86 D HN 0.644 nan 8.370 nan 0.000 0.583 87 T N -4.142 110.367 114.554 -0.076 0.000 3.122 87 T HA 0.133 4.483 4.350 0.000 0.000 0.250 87 T C 0.353 175.071 174.700 0.030 0.000 1.067 87 T CA -0.179 61.703 62.100 -0.363 0.000 0.966 87 T CB -0.901 67.621 68.868 -0.577 0.000 1.002 87 T HN 0.331 nan 8.240 nan 0.000 0.542 88 H N 0.833 119.994 119.070 0.152 0.000 2.790 88 H HA 0.562 5.118 4.556 0.000 0.000 0.358 88 H C 1.706 177.107 175.328 0.123 0.000 1.103 88 H CA 0.475 56.631 56.048 0.180 0.000 1.426 88 H CB 0.788 30.573 29.762 0.040 0.000 1.424 88 H HN 0.215 nan 8.280 nan 0.000 0.599 89 A N 3.309 126.261 122.820 0.220 0.000 1.873 89 A HA -0.197 4.123 4.320 0.000 0.000 0.218 89 A C 2.142 179.800 177.584 0.124 0.000 1.193 89 A CA 1.673 53.796 52.037 0.144 0.000 0.629 89 A CB -0.821 18.248 19.000 0.116 0.000 0.826 89 A HN 0.721 nan 8.150 nan 0.000 0.447 90 L N 0.201 121.484 121.223 0.101 0.000 2.456 90 L HA -0.097 4.243 4.340 0.000 0.000 0.224 90 L C 2.448 179.401 176.870 0.138 0.000 1.148 90 L CA 0.787 55.676 54.840 0.081 0.000 0.825 90 L CB -0.302 41.775 42.059 0.030 0.000 0.937 90 L HN 0.321 nan 8.230 nan 0.000 0.450 91 S N -0.454 115.334 115.700 0.146 0.000 2.419 91 S HA -0.133 4.337 4.470 0.000 0.000 0.233 91 S C 1.775 176.491 174.600 0.195 0.000 1.016 91 S CA 0.905 59.224 58.200 0.199 0.000 0.974 91 S CB -0.078 63.244 63.200 0.204 0.000 0.786 91 S HN 0.445 nan 8.310 nan 0.000 0.492 92 E N 1.142 121.429 120.200 0.145 0.000 2.015 92 E HA -0.055 4.295 4.350 0.000 0.000 0.191 92 E C -0.520 176.146 176.600 0.110 0.000 0.991 92 E CA 1.130 57.616 56.400 0.144 0.000 0.802 92 E CB -1.785 27.988 29.700 0.121 0.000 0.759 92 E HN 0.418 nan 8.360 nan 0.000 0.447 93 P HA -0.074 nan 4.420 nan 0.000 0.218 93 P C 1.260 178.384 177.300 -0.292 0.000 1.149 93 P CA 1.681 64.588 63.100 -0.322 0.000 0.817 93 P CB -0.003 31.046 31.700 -1.086 0.000 0.785 94 A N -0.327 122.415 122.820 -0.130 0.000 1.902 94 A HA -0.183 4.137 4.320 0.000 0.000 0.217 94 A C 2.131 179.843 177.584 0.212 0.000 1.181 94 A CA 1.224 53.356 52.037 0.157 0.000 0.623 94 A CB -1.822 17.417 19.000 0.398 0.000 0.818 94 A HN 0.112 nan 8.150 nan 0.000 0.443 95 F N 0.883 120.878 119.950 0.075 0.000 2.095 95 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 95 F C 1.962 177.794 175.800 0.055 0.000 1.104 95 F CA 1.774 59.815 58.000 0.069 0.000 1.232 95 F CB -0.382 38.653 39.000 0.057 0.000 0.987 95 F HN 0.197 nan 8.300 nan 0.000 0.475 96 I N -0.583 119.999 120.570 0.021 0.000 2.163 96 I HA -0.360 3.810 4.170 0.000 0.000 0.243 96 I C 2.507 178.594 176.117 -0.050 0.000 1.085 96 I CA 1.579 62.834 61.300 -0.074 0.000 1.347 96 I CB -0.837 37.203 38.000 0.067 0.000 1.044 96 I HN 0.076 nan 8.210 nan 0.000 0.408 97 S N 0.342 116.071 115.700 0.049 0.000 2.370 97 S HA -0.162 4.308 4.470 0.000 0.000 0.226 97 S C 2.106 176.698 174.600 -0.014 0.000 1.033 97 S CA 1.400 59.638 58.200 0.063 0.000 1.011 97 S CB -0.360 62.930 63.200 0.150 0.000 0.852 97 S HN 0.234 nan 8.310 nan 0.000 0.457 98 V N 2.273 122.168 119.914 -0.033 0.000 2.295 98 V HA -0.162 3.958 4.120 0.000 0.000 0.246 98 V C 2.193 178.212 176.094 -0.125 0.000 1.049 98 V CA 1.503 63.767 62.300 -0.059 0.000 1.024 98 V CB -0.758 31.061 31.823 -0.005 0.000 0.648 98 V HN 0.436 nan 8.190 nan 0.000 0.447 99 L N -0.386 120.700 121.223 -0.228 0.000 2.012 99 L HA -0.231 4.109 4.340 0.000 0.000 0.210 99 L C 2.588 179.380 176.870 -0.130 0.000 1.073 99 L CA 1.915 56.617 54.840 -0.231 0.000 0.748 99 L CB -0.784 41.066 42.059 -0.349 0.000 0.891 99 L HN 0.409 nan 8.230 nan 0.000 0.431 100 E N -0.330 119.810 120.200 -0.099 0.000 2.077 100 E HA -0.187 4.163 4.350 0.000 0.000 0.193 100 E C 2.250 178.814 176.600 -0.060 0.000 0.989 100 E CA 1.358 57.723 56.400 -0.058 0.000 0.800 100 E CB -0.021 29.663 29.700 -0.026 0.000 0.746 100 E HN 0.288 nan 8.360 nan 0.000 0.452 101 V N 1.246 121.119 119.914 -0.068 0.000 2.346 101 V HA -0.188 3.932 4.120 0.000 0.000 0.244 101 V C 2.289 178.325 176.094 -0.096 0.000 1.037 101 V CA 1.127 63.381 62.300 -0.076 0.000 1.029 101 V CB -0.397 31.379 31.823 -0.078 0.000 0.663 101 V HN 0.240 nan 8.190 nan 0.000 0.454 102 L N 0.469 121.630 121.223 -0.102 0.000 2.012 102 L HA -0.200 4.140 4.340 0.000 0.000 0.210 102 L C 2.783 179.557 176.870 -0.161 0.000 1.073 102 L CA 1.837 56.604 54.840 -0.122 0.000 0.748 102 L CB -0.935 41.062 42.059 -0.104 0.000 0.891 102 L HN 0.377 nan 8.230 nan 0.000 0.431 103 A N 0.060 122.803 122.820 -0.129 0.000 1.933 103 A HA -0.166 4.154 4.320 0.000 0.000 0.218 103 A C 2.544 180.045 177.584 -0.139 0.000 1.175 103 A CA 1.722 53.682 52.037 -0.130 0.000 0.628 103 A CB -0.685 18.312 19.000 -0.006 0.000 0.814 103 A HN 0.422 nan 8.150 nan 0.000 0.444 104 A N 0.010 122.774 122.820 -0.093 0.000 1.940 104 A HA -0.179 4.141 4.320 0.000 0.000 0.219 104 A C 1.794 179.316 177.584 -0.105 0.000 1.176 104 A CA 1.573 53.566 52.037 -0.074 0.000 0.631 104 A CB -0.537 18.427 19.000 -0.059 0.000 0.814 104 A HN 0.578 nan 8.150 nan 0.000 0.446 105 N N -0.810 117.807 118.700 -0.140 0.000 2.398 105 N HA 0.099 4.839 4.740 0.000 0.000 0.188 105 N C 1.008 176.399 175.510 -0.199 0.000 1.122 105 N CA 0.906 53.870 53.050 -0.143 0.000 0.866 105 N CB 0.282 38.691 38.487 -0.130 0.000 0.970 105 N HN 0.640 nan 8.380 nan 0.000 0.462 106 G N 0.527 109.125 108.800 -0.337 0.000 2.136 106 G HA2 -0.252 3.708 3.960 0.000 0.000 0.242 106 G HA3 -0.252 3.708 3.960 0.000 0.000 0.242 106 G C 0.015 174.565 174.900 -0.583 0.000 0.989 106 G CA -0.022 44.755 45.100 -0.538 0.000 0.682 106 G HN 0.164 nan 8.290 nan 0.000 0.522 107 V N 1.322 120.961 119.914 -0.458 0.000 2.530 107 V HA 0.326 4.446 4.120 0.000 0.000 0.282 107 V C 0.290 176.260 176.094 -0.206 0.000 1.048 107 V CA -0.729 61.419 62.300 -0.253 0.000 0.997 107 V CB 1.434 33.159 31.823 -0.162 0.000 0.987 107 V HN 0.273 nan 8.190 nan 0.000 0.477 108 D N 3.602 123.971 120.400 -0.051 0.000 2.348 108 D HA 0.349 4.989 4.640 0.000 0.000 0.253 108 D C -0.328 175.940 176.300 -0.053 0.000 1.161 108 D CA 0.140 54.161 54.000 0.036 0.000 0.876 108 D CB 1.781 42.605 40.800 0.041 0.000 1.160 108 D HN 0.249 nan 8.370 nan 0.000 0.459 109 V N 3.724 123.612 119.914 -0.044 0.000 2.555 109 V HA 0.448 4.568 4.120 0.000 0.000 0.302 109 V C 0.360 176.394 176.094 -0.100 0.000 1.038 109 V CA -0.797 61.456 62.300 -0.078 0.000 0.887 109 V CB 1.850 33.641 31.823 -0.053 0.000 0.991 109 V HN 0.352 nan 8.190 nan 0.000 0.434 110 I N 5.165 125.629 120.570 -0.177 0.000 2.406 110 I HA 0.659 4.829 4.170 0.000 0.000 0.290 110 I C -0.401 175.722 176.117 0.010 0.000 0.999 110 I CA -0.796 60.407 61.300 -0.161 0.000 1.124 110 I CB 1.968 39.694 38.000 -0.456 0.000 1.289 110 I HN 0.548 nan 8.210 nan 0.000 0.441 111 V N 2.464 122.430 119.914 0.086 0.000 3.001 111 V HA 0.557 4.677 4.120 0.000 0.000 0.314 111 V C -0.527 175.636 176.094 0.116 0.000 1.099 111 V CA -0.977 61.426 62.300 0.172 0.000 0.989 111 V CB 1.752 33.757 31.823 0.304 0.000 1.040 111 V HN 0.735 nan 8.190 nan 0.000 0.434 112 Q N 2.354 122.196 119.800 0.071 0.000 2.313 112 Q HA 0.237 4.577 4.340 0.000 0.000 0.266 112 Q C 0.375 176.366 176.000 -0.015 0.000 0.989 112 Q CA 0.366 56.176 55.803 0.011 0.000 0.890 112 Q CB 0.614 29.326 28.738 -0.044 0.000 1.200 112 Q HN 0.969 nan 8.270 nan 0.000 0.396 113 E N 2.975 123.169 120.200 -0.009 0.000 2.438 113 E HA -0.107 4.243 4.350 0.000 0.000 0.261 113 E C -0.615 175.955 176.600 -0.051 0.000 1.103 113 E CA 0.404 56.795 56.400 -0.015 0.000 0.959 113 E CB 0.056 29.750 29.700 -0.009 0.000 0.958 113 E HN 0.850 nan 8.360 nan 0.000 0.447 114 N N 0.834 119.510 118.700 -0.040 0.000 2.725 114 N HA -0.300 4.440 4.740 0.000 0.000 0.249 114 N C -0.508 174.931 175.510 -0.119 0.000 1.103 114 N CA 0.600 53.615 53.050 -0.059 0.000 0.707 114 N CB -1.240 37.216 38.487 -0.053 0.000 1.043 114 N HN 0.843 nan 8.380 nan 0.000 0.553 115 N N -1.478 117.141 118.700 -0.135 0.000 2.725 115 N HA -0.160 4.580 4.740 0.000 0.000 0.249 115 N C 0.412 175.603 175.510 -0.532 0.000 1.103 115 N CA 1.181 54.075 53.050 -0.261 0.000 0.707 115 N CB -0.919 37.456 38.487 -0.185 0.000 1.043 115 N HN 0.627 nan 8.380 nan 0.000 0.553 116 G N -1.154 107.386 108.800 -0.433 0.000 2.621 116 G HA2 0.494 4.454 3.960 0.000 0.000 0.271 116 G HA3 0.494 4.454 3.960 0.000 0.000 0.271 116 G C -0.293 174.206 174.900 -0.668 0.000 1.236 116 G CA -0.468 44.320 45.100 -0.520 0.000 0.958 116 G HN 0.151 nan 8.290 nan 0.000 0.512 117 F N -1.259 118.644 119.950 -0.078 0.000 2.470 117 F HA 0.581 5.107 4.527 -0.000 0.000 0.329 117 F C 0.559 176.319 175.800 -0.067 0.000 1.072 117 F CA -0.534 57.407 58.000 -0.098 0.000 0.989 117 F CB 2.646 41.590 39.000 -0.093 0.000 1.193 117 F HN 0.205 nan 8.300 nan 0.000 0.481 118 T N 2.902 117.493 114.554 0.061 0.000 2.937 118 T HA 0.364 4.714 4.350 0.000 0.000 0.297 118 T C -2.821 171.759 174.700 -0.199 0.000 0.991 118 T CA -1.510 60.550 62.100 -0.067 0.000 0.990 118 T CB 1.853 70.709 68.868 -0.019 0.000 0.991 118 T HN 0.106 nan 8.240 nan 0.000 0.440 119 P HA 0.131 nan 4.420 nan 0.000 0.267 119 P C 1.107 178.254 177.300 -0.254 0.000 1.200 119 P CA 0.048 62.910 63.100 -0.397 0.000 0.772 119 P CB 0.426 31.710 31.700 -0.693 0.000 0.855 120 T N 4.553 119.023 114.554 -0.139 0.000 2.592 120 T HA -0.149 4.201 4.350 0.000 0.000 0.267 120 T C -0.734 173.889 174.700 -0.129 0.000 1.060 120 T CA 2.406 64.441 62.100 -0.107 0.000 1.167 120 T CB -1.761 67.057 68.868 -0.082 0.000 0.863 120 T HN 0.589 nan 8.240 nan 0.000 0.431 121 P HA 0.087 nan 4.420 nan 0.000 0.223 121 P C 1.214 178.463 177.300 -0.085 0.000 1.151 121 P CA 1.125 64.192 63.100 -0.054 0.000 0.787 121 P CB -0.145 31.604 31.700 0.081 0.000 0.788 122 A N 0.136 122.765 122.820 -0.318 0.000 1.930 122 A HA -0.074 4.246 4.320 0.000 0.000 0.217 122 A C 2.403 179.877 177.584 -0.184 0.000 1.175 122 A CA 1.441 53.271 52.037 -0.345 0.000 0.627 122 A CB -1.543 17.107 19.000 -0.584 0.000 0.815 122 A HN 0.044 nan 8.150 nan 0.000 0.443 123 V N -0.406 119.408 119.914 -0.168 0.000 2.295 123 V HA -0.222 3.898 4.120 0.000 0.000 0.246 123 V C 2.803 178.784 176.094 -0.189 0.000 1.049 123 V CA 2.322 64.537 62.300 -0.142 0.000 1.024 123 V CB -0.906 30.886 31.823 -0.052 0.000 0.648 123 V HN 0.653 nan 8.190 nan 0.000 0.447 124 S N 0.180 115.788 115.700 -0.153 0.000 2.353 124 S HA -0.282 4.188 4.470 0.000 0.000 0.222 124 S C 2.121 176.596 174.600 -0.208 0.000 1.035 124 S CA 2.090 60.203 58.200 -0.145 0.000 1.025 124 S CB -0.676 62.464 63.200 -0.100 0.000 0.902 124 S HN 0.702 nan 8.310 nan 0.000 0.440 125 N N 1.067 119.602 118.700 -0.276 0.000 2.069 125 N HA -0.152 4.588 4.740 0.000 0.000 0.191 125 N C 1.920 177.218 175.510 -0.353 0.000 1.031 125 N CA 1.590 54.379 53.050 -0.435 0.000 0.852 125 N CB -0.509 37.608 38.487 -0.618 0.000 1.018 125 N HN 0.483 nan 8.380 nan 0.000 0.423 126 A N 1.493 124.093 122.820 -0.365 0.000 1.908 126 A HA -0.115 4.205 4.320 0.000 0.000 0.218 126 A C 2.378 179.624 177.584 -0.564 0.000 1.181 126 A CA 1.125 52.823 52.037 -0.564 0.000 0.627 126 A CB -0.686 17.741 19.000 -0.954 0.000 0.818 126 A HN 0.391 nan 8.150 nan 0.000 0.445 127 I N -0.476 119.832 120.570 -0.437 0.000 2.163 127 I HA -0.283 3.887 4.170 0.000 0.000 0.243 127 I C 2.439 178.540 176.117 -0.026 0.000 1.085 127 I CA 1.315 62.517 61.300 -0.163 0.000 1.347 127 I CB -0.376 37.566 38.000 -0.098 0.000 1.044 127 I HN 0.303 nan 8.210 nan 0.000 0.408 128 L N -0.212 120.972 121.223 -0.064 0.000 2.046 128 L HA -0.189 4.151 4.340 0.000 0.000 0.208 128 L C 2.585 179.452 176.870 -0.005 0.000 1.077 128 L CA 1.017 55.859 54.840 0.004 0.000 0.747 128 L CB -0.595 41.438 42.059 -0.044 0.000 0.896 128 L HN 0.080 nan 8.230 nan 0.000 0.432 129 V N -0.814 119.058 119.914 -0.069 0.000 2.343 129 V HA -0.325 3.795 4.120 0.000 0.000 0.247 129 V C 2.543 178.653 176.094 0.027 0.000 1.051 129 V CA 1.867 64.140 62.300 -0.045 0.000 1.036 129 V CB -0.822 30.945 31.823 -0.093 0.000 0.654 129 V HN 0.524 nan 8.190 nan 0.000 0.451 130 H N 0.995 120.057 119.070 -0.014 0.000 2.290 130 H HA -0.161 4.395 4.556 0.000 0.000 0.298 130 H C 2.172 177.541 175.328 0.068 0.000 1.087 130 H CA 2.177 58.269 56.048 0.073 0.000 1.291 130 H CB -0.094 29.784 29.762 0.193 0.000 1.369 130 H HN 0.377 nan 8.280 nan 0.000 0.492 131 N N 1.025 119.889 118.700 0.274 0.000 2.396 131 N HA -0.102 4.638 4.740 0.000 0.000 0.180 131 N C 1.929 177.506 175.510 0.111 0.000 1.028 131 N CA 0.466 53.647 53.050 0.218 0.000 0.893 131 N CB -0.247 38.362 38.487 0.203 0.000 0.967 131 N HN 0.401 nan 8.380 nan 0.000 0.440 132 K N 1.469 121.908 120.400 0.065 0.000 2.209 132 K HA -0.036 4.284 4.320 0.000 0.000 0.204 132 K C 1.365 177.970 176.600 0.007 0.000 1.048 132 K CA 1.033 57.334 56.287 0.023 0.000 0.940 132 K CB 0.176 32.675 32.500 -0.002 0.000 0.729 132 K HN 0.102 nan 8.250 nan 0.000 0.451 133 K N -0.883 119.508 120.400 -0.016 0.000 2.365 133 K HA 0.001 4.321 4.320 0.000 0.000 0.199 133 K C 0.756 177.346 176.600 -0.016 0.000 1.045 133 K CA 0.708 56.970 56.287 -0.041 0.000 0.962 133 K CB 0.129 32.561 32.500 -0.113 0.000 0.759 133 K HN 0.379 nan 8.250 nan 0.000 0.469 134 G N 1.266 110.076 108.800 0.017 0.000 2.225 134 G HA2 -0.218 3.742 3.960 0.000 0.000 0.264 134 G HA3 -0.218 3.742 3.960 0.000 0.000 0.264 134 G C 0.196 175.120 174.900 0.040 0.000 1.060 134 G CA 0.020 45.143 45.100 0.038 0.000 0.833 134 G HN 0.523 nan 8.290 nan 0.000 0.498 135 G N -0.601 108.232 108.800 0.054 0.000 3.122 135 G HA2 0.812 4.772 3.960 0.000 0.000 0.180 135 G HA3 0.812 4.772 3.960 0.000 0.000 0.180 135 G C -2.255 172.705 174.900 0.101 0.000 1.279 135 G CA -0.740 44.398 45.100 0.063 0.000 0.987 135 G HN 0.261 nan 8.290 nan 0.000 0.589 136 P HA 0.158 nan 4.420 nan 0.000 0.263 136 P C -0.341 177.045 177.300 0.143 0.000 1.175 136 P CA 0.208 63.370 63.100 0.103 0.000 0.761 136 P CB 0.397 32.150 31.700 0.089 0.000 0.794 137 L N 1.833 123.113 121.223 0.095 0.000 2.380 137 L HA 0.392 4.732 4.340 0.000 0.000 0.273 137 L C 0.891 177.778 176.870 0.028 0.000 1.138 137 L CA -0.471 54.424 54.840 0.092 0.000 0.832 137 L CB 0.458 42.556 42.059 0.064 0.000 1.124 137 L HN 0.404 nan 8.230 nan 0.000 0.454 138 A N 2.472 125.278 122.820 -0.024 0.000 2.279 138 A HA 0.638 4.958 4.320 0.000 0.000 0.303 138 A C -0.690 176.900 177.584 0.010 0.000 1.108 138 A CA -0.481 51.486 52.037 -0.116 0.000 0.830 138 A CB 0.799 19.599 19.000 -0.335 0.000 1.106 138 A HN 0.807 nan 8.150 nan 0.000 0.493 139 D N -0.832 119.597 120.400 0.049 0.000 2.904 139 D HA 0.764 5.404 4.640 0.000 0.000 0.290 139 D C -0.114 176.253 176.300 0.111 0.000 1.180 139 D CA 0.054 54.081 54.000 0.045 0.000 1.065 139 D CB 0.775 41.627 40.800 0.086 0.000 1.386 139 D HN 1.044 nan 8.370 nan 0.000 0.599 140 G N -1.428 107.404 108.800 0.054 0.000 2.623 140 G HA2 0.579 4.539 3.960 0.000 0.000 0.290 140 G HA3 0.579 4.539 3.960 0.000 0.000 0.290 140 G C -1.703 173.294 174.900 0.163 0.000 1.437 140 G CA -0.846 44.332 45.100 0.130 0.000 0.798 140 G HN 0.471 nan 8.290 nan 0.000 0.488 141 I N 0.250 120.942 120.570 0.203 0.000 2.533 141 I HA 0.471 4.641 4.170 0.000 0.000 0.290 141 I C -0.661 175.564 176.117 0.180 0.000 1.056 141 I CA -1.131 60.312 61.300 0.238 0.000 1.057 141 I CB 2.535 40.690 38.000 0.257 0.000 1.240 141 I HN 0.217 nan 8.210 nan 0.000 0.423 142 V N 6.776 126.783 119.914 0.155 0.000 2.409 142 V HA 0.438 4.558 4.120 0.000 0.000 0.291 142 V C -0.003 176.181 176.094 0.150 0.000 1.020 142 V CA -0.490 61.881 62.300 0.117 0.000 0.848 142 V CB 1.823 33.676 31.823 0.049 0.000 0.990 142 V HN 0.474 nan 8.190 nan 0.000 0.430 143 I N 4.464 125.133 120.570 0.166 0.000 2.276 143 I HA 0.498 4.668 4.170 0.000 0.000 0.290 143 I C 0.157 176.353 176.117 0.133 0.000 1.109 143 I CA 0.391 61.811 61.300 0.200 0.000 1.229 143 I CB 0.919 39.076 38.000 0.262 0.000 1.452 143 I HN 0.738 nan 8.210 nan 0.000 0.497 144 T N 6.411 121.009 114.554 0.074 0.000 2.957 144 T HA 0.390 4.740 4.350 0.000 0.000 0.336 144 T C -2.688 171.936 174.700 -0.126 0.000 1.462 144 T CA -0.896 61.194 62.100 -0.017 0.000 1.073 144 T CB 2.289 71.169 68.868 0.021 0.000 1.319 144 T HN 0.262 nan 8.240 nan 0.000 0.485 145 P HA 0.311 nan 4.420 nan 0.000 0.276 145 P C 0.682 177.839 177.300 -0.240 0.000 1.585 145 P CA 0.088 62.994 63.100 -0.324 0.000 1.162 145 P CB 0.117 31.499 31.700 -0.529 0.000 1.556 146 S N 2.041 117.652 115.700 -0.148 0.000 4.059 146 S HA -0.269 4.201 4.470 0.000 0.000 0.624 146 S C 1.252 175.868 174.600 0.026 0.000 2.019 146 S CA 1.601 59.744 58.200 -0.095 0.000 4.197 146 S CB -2.191 60.875 63.200 -0.223 0.000 0.215 146 S HN 0.669 nan 8.310 nan 0.000 0.609 147 H N 1.456 120.504 119.070 -0.035 0.000 2.526 147 H HA 0.412 4.968 4.556 -0.000 0.000 0.274 147 H C 0.498 175.782 175.328 -0.074 0.000 0.999 147 H CA -0.192 55.830 56.048 -0.044 0.000 1.157 147 H CB -0.411 29.315 29.762 -0.061 0.000 1.407 147 H HN 0.262 nan 8.280 nan 0.000 0.568 148 N N 2.996 121.807 118.700 0.186 0.000 2.305 148 N HA 0.010 4.750 4.740 0.000 0.000 0.232 148 N C -2.289 173.232 175.510 0.018 0.000 1.274 148 N CA -1.080 51.995 53.050 0.043 0.000 0.870 148 N CB 0.266 38.692 38.487 -0.101 0.000 1.105 148 N HN 0.285 nan 8.380 nan 0.000 0.436 149 P HA 0.074 nan 4.420 nan 0.000 0.272 149 P C -1.698 175.575 177.300 -0.045 0.000 1.254 149 P CA -0.710 62.327 63.100 -0.105 0.000 0.795 149 P CB 0.100 31.742 31.700 -0.095 0.000 1.022 150 P HA -0.174 nan 4.420 nan 0.000 0.219 150 P C 1.128 178.489 177.300 0.102 0.000 1.146 150 P CA 1.354 64.462 63.100 0.013 0.000 0.808 150 P CB -0.292 31.451 31.700 0.073 0.000 0.779 151 E N -0.772 119.447 120.200 0.033 0.000 2.502 151 E HA -0.028 4.322 4.350 0.000 0.000 0.194 151 E C -0.240 176.340 176.600 -0.034 0.000 1.062 151 E CA 0.596 57.006 56.400 0.016 0.000 0.867 151 E CB -0.555 29.146 29.700 0.001 0.000 0.888 151 E HN 0.186 nan 8.360 nan 0.000 0.510 152 D N 0.669 121.026 120.400 -0.072 0.000 2.253 152 D HA 0.556 5.196 4.640 0.000 0.000 0.249 152 D C -0.177 175.839 176.300 -0.475 0.000 1.049 152 D CA -0.052 53.798 54.000 -0.250 0.000 0.929 152 D CB 1.604 42.252 40.800 -0.254 0.000 1.176 152 D HN 0.183 nan 8.370 nan 0.000 0.437 153 G N -1.187 107.103 108.800 -0.849 0.000 2.533 153 G HA2 0.703 4.663 3.960 0.000 0.000 0.304 153 G HA3 0.703 4.663 3.960 0.000 0.000 0.304 153 G C -0.685 173.511 174.900 -1.174 0.000 1.263 153 G CA -0.801 43.443 45.100 -1.427 0.000 0.964 153 G HN 0.509 nan 8.290 nan 0.000 0.479 154 G N -1.122 107.333 108.800 -0.574 0.000 2.690 154 G HA2 0.663 4.623 3.960 0.000 0.000 0.291 154 G HA3 0.663 4.623 3.960 0.000 0.000 0.291 154 G C -1.806 173.283 174.900 0.314 0.000 1.403 154 G CA -0.614 44.483 45.100 -0.004 0.000 0.864 154 G HN 1.025 nan 8.290 nan 0.000 0.480 155 I N 0.156 120.951 120.570 0.375 0.000 2.680 155 I HA 0.619 4.789 4.170 0.000 0.000 0.291 155 I C -1.190 175.125 176.117 0.330 0.000 1.244 155 I CA -0.896 60.623 61.300 0.364 0.000 1.042 155 I CB 2.108 40.360 38.000 0.419 0.000 1.277 155 I HN 0.769 nan 8.210 nan 0.000 0.423 156 K N 5.310 125.862 120.400 0.254 0.000 2.509 156 K HA 0.464 4.784 4.320 0.000 0.000 0.266 156 K C -2.175 174.609 176.600 0.306 0.000 0.987 156 K CA -0.829 55.560 56.287 0.171 0.000 0.868 156 K CB 2.314 34.802 32.500 -0.020 0.000 1.421 156 K HN 0.445 nan 8.250 nan 0.000 0.444 157 Y N 0.996 121.394 120.300 0.164 0.000 2.393 157 Y HA 0.428 4.978 4.550 0.000 0.000 0.341 157 Y C -1.363 174.581 175.900 0.074 0.000 0.988 157 Y CA -1.053 57.152 58.100 0.174 0.000 1.078 157 Y CB 2.017 40.654 38.460 0.296 0.000 1.203 157 Y HN 0.717 nan 8.280 nan 0.000 0.453 158 N N 8.502 126.854 118.700 -0.580 0.000 2.442 158 N HA 0.328 5.068 4.740 0.000 0.000 0.274 158 N C -2.886 172.134 175.510 -0.817 0.000 1.002 158 N CA -1.558 51.171 53.050 -0.534 0.000 0.910 158 N CB 2.294 40.633 38.487 -0.246 0.000 1.244 158 N HN 0.379 nan 8.380 nan 0.000 0.492 159 P HA 0.261 nan 4.420 nan 0.000 0.297 159 P C -2.038 175.118 177.300 -0.239 0.000 1.303 159 P CA -1.073 61.758 63.100 -0.449 0.000 0.753 159 P CB 0.213 31.784 31.700 -0.216 0.000 1.281 160 P HA -0.101 nan 4.420 nan 0.000 0.225 160 P C 0.755 177.966 177.300 -0.147 0.000 1.148 160 P CA 1.226 64.271 63.100 -0.091 0.000 0.779 160 P CB -0.571 31.105 31.700 -0.041 0.000 0.780 161 N N -0.730 117.791 118.700 -0.299 0.000 2.521 161 N HA 0.006 4.746 4.740 0.000 0.000 0.188 161 N C 1.354 176.752 175.510 -0.187 0.000 1.146 161 N CA 0.992 53.722 53.050 -0.533 0.000 0.893 161 N CB -1.208 36.744 38.487 -0.892 0.000 0.975 161 N HN 0.151 nan 8.380 nan 0.000 0.451 162 G N -1.831 106.892 108.800 -0.129 0.000 2.205 162 G HA2 -0.214 3.746 3.960 0.000 0.000 0.261 162 G HA3 -0.214 3.746 3.960 0.000 0.000 0.261 162 G C 0.391 175.244 174.900 -0.078 0.000 0.980 162 G CA 0.322 45.373 45.100 -0.082 0.000 0.632 162 G HN 0.833 nan 8.290 nan 0.000 0.533 163 G N 0.380 109.131 108.800 -0.083 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 -1.996 172.859 174.900 -0.075 0.000 1.210 163 G CA -0.669 44.417 45.100 -0.023 0.000 0.960 163 G HN 0.243 nan 8.290 nan 0.000 0.497 164 P HA 0.207 nan 4.420 nan 0.000 0.266 164 P C 0.103 177.346 177.300 -0.094 0.000 1.195 164 P CA 0.026 63.085 63.100 -0.068 0.000 0.768 164 P CB 0.650 32.332 31.700 -0.030 0.000 0.838 165 A N 2.795 125.559 122.820 -0.093 0.000 2.531 165 A HA 0.075 4.395 4.320 0.000 0.000 0.236 165 A C 0.535 178.093 177.584 -0.043 0.000 1.062 165 A CA 0.276 52.296 52.037 -0.028 0.000 0.760 165 A CB -0.420 18.685 19.000 0.174 0.000 0.995 165 A HN 0.535 nan 8.150 nan 0.000 0.501 166 D N 0.126 120.494 120.400 -0.054 0.000 2.466 166 D HA 0.306 4.946 4.640 0.000 0.000 0.262 166 D C 1.868 178.144 176.300 -0.040 0.000 1.177 166 D CA 0.576 54.518 54.000 -0.097 0.000 1.035 166 D CB 1.058 41.768 40.800 -0.150 0.000 1.105 166 D HN 0.570 nan 8.370 nan 0.000 0.551 167 T N -1.048 113.470 114.554 -0.059 0.000 2.881 167 T HA -0.201 4.149 4.350 0.000 0.000 0.270 167 T C 1.366 176.074 174.700 0.014 0.000 1.068 167 T CA 1.364 63.457 62.100 -0.011 0.000 1.131 167 T CB -0.400 68.456 68.868 -0.021 0.000 0.871 167 T HN 0.487 nan 8.240 nan 0.000 0.479 168 N N 1.731 120.429 118.700 -0.003 0.000 2.272 168 N HA -0.088 4.652 4.740 0.000 0.000 0.185 168 N C 1.628 177.157 175.510 0.033 0.000 1.014 168 N CA 1.302 54.357 53.050 0.008 0.000 0.870 168 N CB -0.821 37.663 38.487 -0.006 0.000 0.975 168 N HN 0.472 nan 8.380 nan 0.000 0.433 169 V N 0.793 120.744 119.914 0.060 0.000 2.581 169 V HA -0.080 4.040 4.120 0.000 0.000 0.240 169 V C 2.696 178.882 176.094 0.154 0.000 1.054 169 V CA 1.804 64.168 62.300 0.107 0.000 1.076 169 V CB -0.696 31.235 31.823 0.180 0.000 0.748 169 V HN 0.563 nan 8.190 nan 0.000 0.474 170 T N -1.014 113.657 114.554 0.196 0.000 2.788 170 T HA -0.243 4.107 4.350 0.000 0.000 0.268 170 T C 1.839 176.701 174.700 0.271 0.000 1.044 170 T CA 1.747 64.053 62.100 0.343 0.000 1.139 170 T CB -0.236 68.746 68.868 0.190 0.000 0.867 170 T HN 0.253 nan 8.240 nan 0.000 0.454 171 K N 1.120 121.604 120.400 0.139 0.000 2.097 171 K HA 0.086 4.406 4.320 0.000 0.000 0.205 171 K C 2.114 178.752 176.600 0.064 0.000 1.050 171 K CA 1.044 57.390 56.287 0.098 0.000 0.938 171 K CB -0.902 31.634 32.500 0.059 0.000 0.718 171 K HN 0.341 nan 8.250 nan 0.000 0.442 172 V N -0.150 119.791 119.914 0.044 0.000 2.358 172 V HA -0.192 3.928 4.120 0.000 0.000 0.246 172 V C 2.224 178.295 176.094 -0.039 0.000 1.047 172 V CA 1.554 63.855 62.300 0.001 0.000 1.035 172 V CB -0.292 31.528 31.823 -0.006 0.000 0.658 172 V HN 0.093 nan 8.190 nan 0.000 0.452 173 V N 0.142 120.026 119.914 -0.051 0.000 2.295 173 V HA -0.317 3.803 4.120 0.000 0.000 0.246 173 V C 2.468 178.430 176.094 -0.219 0.000 1.049 173 V CA 2.444 64.620 62.300 -0.207 0.000 1.024 173 V CB -0.589 31.015 31.823 -0.364 0.000 0.648 173 V HN 0.701 nan 8.190 nan 0.000 0.447 174 E N 0.107 120.271 120.200 -0.059 0.000 2.038 174 E HA -0.294 4.056 4.350 0.000 0.000 0.195 174 E C 1.899 178.483 176.600 -0.027 0.000 1.000 174 E CA 1.847 58.250 56.400 0.004 0.000 0.803 174 E CB -0.147 29.645 29.700 0.153 0.000 0.750 174 E HN 0.600 nan 8.360 nan 0.000 0.448 175 D N -0.107 120.285 120.400 -0.014 0.000 2.104 175 D HA -0.189 4.451 4.640 0.000 0.000 0.194 175 D C 2.100 178.367 176.300 -0.054 0.000 0.994 175 D CA 1.158 55.144 54.000 -0.023 0.000 0.830 175 D CB -0.314 40.478 40.800 -0.013 0.000 0.959 175 D HN 0.061 nan 8.370 nan 0.000 0.452 176 R N 1.178 121.630 120.500 -0.080 0.000 2.073 176 R HA 0.000 4.340 4.340 0.000 0.000 0.234 176 R C 1.992 178.221 176.300 -0.118 0.000 1.134 176 R CA 1.798 57.839 56.100 -0.098 0.000 0.952 176 R CB -0.901 29.329 30.300 -0.116 0.000 0.850 176 R HN 0.075 nan 8.270 nan 0.000 0.433 177 A N 0.463 123.191 122.820 -0.154 0.000 1.892 177 A HA -0.237 4.083 4.320 0.000 0.000 0.218 177 A C 1.963 179.473 177.584 -0.123 0.000 1.188 177 A CA 2.113 54.049 52.037 -0.167 0.000 0.631 177 A CB -0.925 17.939 19.000 -0.226 0.000 0.822 177 A HN 0.649 nan 8.150 nan 0.000 0.447 178 N N -0.180 118.469 118.700 -0.086 0.000 2.244 178 N HA -0.002 4.738 4.740 0.000 0.000 0.183 178 N C 1.868 177.341 175.510 -0.061 0.000 1.016 178 N CA 0.974 53.989 53.050 -0.059 0.000 0.866 178 N CB -0.233 38.240 38.487 -0.023 0.000 0.980 178 N HN 0.524 nan 8.380 nan 0.000 0.430 179 A N 1.038 123.821 122.820 -0.062 0.000 1.898 179 A HA -0.073 4.247 4.320 0.000 0.000 0.216 179 A C 2.105 179.648 177.584 -0.069 0.000 1.181 179 A CA 0.964 52.966 52.037 -0.058 0.000 0.620 179 A CB -0.688 18.279 19.000 -0.054 0.000 0.819 179 A HN 0.167 nan 8.150 nan 0.000 0.442 180 L N -0.624 120.548 121.223 -0.085 0.000 2.046 180 L HA -0.192 4.148 4.340 0.000 0.000 0.208 180 L C 2.590 179.402 176.870 -0.098 0.000 1.077 180 L CA 1.058 55.842 54.840 -0.093 0.000 0.747 180 L CB -0.520 41.473 42.059 -0.110 0.000 0.896 180 L HN 0.376 nan 8.230 nan 0.000 0.432 181 L N -0.515 120.642 121.223 -0.110 0.000 2.017 181 L HA -0.213 4.127 4.340 0.000 0.000 0.208 181 L C 2.802 179.618 176.870 -0.090 0.000 1.073 181 L CA 1.299 56.066 54.840 -0.122 0.000 0.745 181 L CB -0.625 41.350 42.059 -0.140 0.000 0.894 181 L HN 0.265 nan 8.230 nan 0.000 0.432 182 A N -0.208 122.570 122.820 -0.069 0.000 2.015 182 A HA -0.057 4.263 4.320 0.000 0.000 0.219 182 A C 2.112 179.665 177.584 -0.051 0.000 1.163 182 A CA 1.362 53.368 52.037 -0.053 0.000 0.646 182 A CB -0.843 18.133 19.000 -0.041 0.000 0.806 182 A HN 0.451 nan 8.150 nan 0.000 0.448 183 G N -1.456 107.311 108.800 -0.056 0.000 3.124 183 G HA2 0.364 4.324 3.960 0.000 0.000 0.212 183 G HA3 0.364 4.324 3.960 0.000 0.000 0.212 183 G C 1.092 175.959 174.900 -0.054 0.000 1.181 183 G CA 0.478 45.547 45.100 -0.052 0.000 0.803 183 G HN 1.524 nan 8.290 nan 0.000 0.529 184 G N 0.376 109.139 108.800 -0.062 0.000 2.225 184 G HA2 -0.287 3.673 3.960 0.000 0.000 0.267 184 G HA3 -0.287 3.673 3.960 0.000 0.000 0.267 184 G C 0.848 175.708 174.900 -0.067 0.000 1.024 184 G CA 0.218 45.280 45.100 -0.062 0.000 0.784 184 G HN 1.218 nan 8.290 nan 0.000 0.507 185 L N -4.584 116.592 121.223 -0.078 0.000 4.560 185 L HA -0.339 4.001 4.340 0.000 0.000 0.415 185 L C 2.495 179.326 176.870 -0.066 0.000 1.123 185 L CA 2.005 56.796 54.840 -0.081 0.000 0.991 185 L CB -2.345 39.662 42.059 -0.086 0.000 2.127 185 L HN 0.986 nan 8.230 nan 0.000 0.765 186 Q N 0.428 120.193 119.800 -0.058 0.000 2.112 186 Q HA -0.093 4.247 4.340 0.000 0.000 0.206 186 Q C 2.056 178.026 176.000 -0.051 0.000 0.987 186 Q CA 2.391 58.165 55.803 -0.049 0.000 0.858 186 Q CB -0.909 27.803 28.738 -0.043 0.000 0.905 186 Q HN 0.723 nan 8.270 nan 0.000 0.420 187 G N -0.609 108.157 108.800 -0.057 0.000 2.920 187 G HA2 0.354 4.314 3.960 0.000 0.000 0.208 187 G HA3 0.354 4.314 3.960 0.000 0.000 0.208 187 G C 0.256 175.115 174.900 -0.067 0.000 1.159 187 G CA 0.389 45.453 45.100 -0.059 0.000 0.784 187 G HN 0.418 nan 8.290 nan 0.000 0.535 188 V N 1.099 120.971 119.914 -0.070 0.000 2.470 188 V HA 0.178 4.298 4.120 0.000 0.000 0.276 188 V C 0.180 176.236 176.094 -0.063 0.000 1.040 188 V CA -0.265 61.990 62.300 -0.074 0.000 1.008 188 V CB 1.002 32.777 31.823 -0.079 0.000 0.990 188 V HN 0.198 nan 8.190 nan 0.000 0.477 189 K N 5.340 125.700 120.400 -0.065 0.000 2.201 189 K HA 0.653 4.973 4.320 0.000 0.000 0.278 189 K C -0.154 176.413 176.600 -0.055 0.000 1.027 189 K CA -0.494 55.759 56.287 -0.057 0.000 0.909 189 K CB 1.302 33.765 32.500 -0.061 0.000 1.062 189 K HN 0.600 nan 8.250 nan 0.000 0.465 190 R N 4.038 124.513 120.500 -0.043 0.000 2.566 190 R HA 0.396 4.736 4.340 0.000 0.000 0.271 190 R C -1.224 175.060 176.300 -0.025 0.000 1.071 190 R CA -0.585 55.494 56.100 -0.036 0.000 0.915 190 R CB 1.002 31.284 30.300 -0.029 0.000 1.228 190 R HN 0.785 nan 8.270 nan 0.000 0.449 191 I N 0.019 120.575 120.570 -0.023 0.000 3.067 191 I HA 0.564 4.734 4.170 0.000 0.000 0.312 191 I C 0.210 176.321 176.117 -0.010 0.000 1.073 191 I CA -1.028 60.264 61.300 -0.014 0.000 1.016 191 I CB 2.112 40.106 38.000 -0.010 0.000 1.227 191 I HN 0.726 nan 8.210 nan 0.000 0.456 192 S N 2.418 118.115 115.700 -0.007 0.000 2.576 192 S HA 0.031 4.501 4.470 0.000 0.000 0.272 192 S C 0.909 175.503 174.600 -0.009 0.000 1.352 192 S CA -0.471 57.726 58.200 -0.005 0.000 1.021 192 S CB 1.086 64.283 63.200 -0.006 0.000 0.887 192 S HN 0.768 nan 8.310 nan 0.000 0.542 193 L N 1.101 122.319 121.223 -0.008 0.000 2.013 193 L HA -0.120 4.220 4.340 0.000 0.000 0.212 193 L C 1.879 178.739 176.870 -0.016 0.000 1.073 193 L CA 2.167 56.996 54.840 -0.018 0.000 0.753 193 L CB -1.220 40.833 42.059 -0.010 0.000 0.890 193 L HN 0.787 nan 8.230 nan 0.000 0.432 194 D N -0.113 120.281 120.400 -0.011 0.000 2.104 194 D HA -0.193 4.447 4.640 0.000 0.000 0.194 194 D C 2.206 178.500 176.300 -0.009 0.000 0.994 194 D CA 1.694 55.688 54.000 -0.009 0.000 0.830 194 D CB -0.339 40.456 40.800 -0.008 0.000 0.959 194 D HN 0.516 nan 8.370 nan 0.000 0.452 195 A N 1.148 123.964 122.820 -0.008 0.000 1.908 195 A HA -0.132 4.188 4.320 0.000 0.000 0.218 195 A C 2.341 179.926 177.584 0.001 0.000 1.181 195 A CA 2.598 54.633 52.037 -0.004 0.000 0.627 195 A CB -0.793 18.206 19.000 -0.002 0.000 0.818 195 A HN 0.257 nan 8.150 nan 0.000 0.445 196 A N -0.970 121.847 122.820 -0.004 0.000 1.902 196 A HA -0.124 4.196 4.320 0.000 0.000 0.217 196 A C 2.146 179.729 177.584 -0.001 0.000 1.181 196 A CA 2.030 54.068 52.037 0.000 0.000 0.623 196 A CB -0.466 18.516 19.000 -0.030 0.000 0.818 196 A HN 0.438 nan 8.150 nan 0.000 0.443 197 M N -0.428 119.164 119.600 -0.014 0.000 2.229 197 M HA -0.028 4.452 4.480 0.000 0.000 0.264 197 M C 2.307 178.597 176.300 -0.016 0.000 1.063 197 M CA 1.436 56.728 55.300 -0.014 0.000 1.114 197 M CB -1.503 31.090 32.600 -0.012 0.000 1.387 197 M HN 0.472 nan 8.290 nan 0.000 0.420 198 A N 0.096 122.906 122.820 -0.015 0.000 2.167 198 A HA -0.013 4.307 4.320 0.000 0.000 0.214 198 A C 2.308 179.870 177.584 -0.036 0.000 1.151 198 A CA 1.377 53.400 52.037 -0.023 0.000 0.735 198 A CB -0.655 18.335 19.000 -0.017 0.000 0.802 198 A HN 0.580 nan 8.150 nan 0.000 0.467 199 S N -1.511 114.171 115.700 -0.031 0.000 2.453 199 S HA 0.266 4.736 4.470 0.000 0.000 0.231 199 S C 1.641 176.133 174.600 -0.181 0.000 1.005 199 S CA 1.339 59.506 58.200 -0.055 0.000 0.949 199 S CB -0.456 62.780 63.200 0.060 0.000 0.774 199 S HN 1.833 nan 8.310 nan 0.000 0.510 200 G N 0.624 109.339 108.800 -0.141 0.000 2.176 200 G HA2 -0.254 3.706 3.960 0.000 0.000 0.253 200 G HA3 -0.254 3.706 3.960 0.000 0.000 0.253 200 G C 0.609 175.379 174.900 -0.217 0.000 0.979 200 G CA 0.464 45.457 45.100 -0.178 0.000 0.641 200 G HN 0.602 nan 8.290 nan 0.000 0.530 201 H N -0.577 118.472 119.070 -0.035 0.000 2.535 201 H HA 0.254 4.810 4.556 0.000 0.000 0.273 201 H C 1.049 176.346 175.328 -0.053 0.000 0.983 201 H CA 1.182 57.203 56.048 -0.044 0.000 1.238 201 H CB 0.478 30.211 29.762 -0.048 0.000 1.412 201 H HN 0.310 nan 8.280 nan 0.000 0.562 202 V N 2.082 122.023 119.914 0.046 0.000 2.333 202 V HA 0.416 4.536 4.120 0.000 0.000 0.274 202 V C 0.449 176.543 176.094 -0.001 0.000 1.028 202 V CA -0.663 61.642 62.300 0.008 0.000 0.851 202 V CB 0.823 32.639 31.823 -0.012 0.000 1.000 202 V HN 0.283 nan 8.190 nan 0.000 0.456 203 K N 2.956 123.354 120.400 -0.004 0.000 2.274 203 K HA 0.892 5.212 4.320 0.000 0.000 0.262 203 K C -0.109 176.500 176.600 0.015 0.000 0.961 203 K CA -0.114 56.171 56.287 -0.002 0.000 0.833 203 K CB 1.776 34.268 32.500 -0.013 0.000 1.102 203 K HN 1.101 nan 8.250 nan 0.000 0.436 204 A N 1.565 124.399 122.820 0.024 0.000 2.274 204 A HA 0.745 5.065 4.320 0.000 0.000 0.309 204 A C 0.239 177.843 177.584 0.033 0.000 1.226 204 A CA -0.022 52.037 52.037 0.037 0.000 0.853 204 A CB 0.140 19.160 19.000 0.034 0.000 1.146 204 A HN 1.861 nan 8.150 nan 0.000 0.518 205 V N -0.348 119.593 119.914 0.046 0.000 3.160 205 V HA 0.697 4.817 4.120 0.000 0.000 0.310 205 V C -0.860 175.256 176.094 0.038 0.000 1.181 205 V CA -0.982 61.347 62.300 0.048 0.000 1.047 205 V CB 1.969 33.839 31.823 0.078 0.000 1.068 205 V HN 0.707 nan 8.190 nan 0.000 0.441 206 D N 0.871 121.285 120.400 0.024 0.000 2.380 206 D HA 0.409 5.049 4.640 0.000 0.000 0.230 206 D C 0.802 177.110 176.300 0.014 0.000 1.154 206 D CA -0.044 53.955 54.000 -0.003 0.000 0.859 206 D CB 0.852 41.636 40.800 -0.027 0.000 1.045 206 D HN 0.608 nan 8.370 nan 0.000 0.495 207 L N 3.139 124.378 121.223 0.027 0.000 2.341 207 L HA -0.037 4.303 4.340 0.000 0.000 0.214 207 L C 2.102 178.979 176.870 0.011 0.000 1.115 207 L CA 0.085 54.961 54.840 0.061 0.000 0.820 207 L CB -0.012 42.110 42.059 0.106 0.000 0.944 207 L HN 0.348 nan 8.230 nan 0.000 0.452 208 V N -0.310 119.504 119.914 -0.166 0.000 2.261 208 V HA -0.311 3.809 4.120 0.000 0.000 0.246 208 V C 2.471 178.440 176.094 -0.208 0.000 1.047 208 V CA 1.881 63.885 62.300 -0.494 0.000 1.015 208 V CB -0.522 30.902 31.823 -0.665 0.000 0.642 208 V HN 0.391 nan 8.190 nan 0.000 0.446 209 Q N 0.440 120.162 119.800 -0.130 0.000 2.050 209 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 209 Q C -0.025 175.954 176.000 -0.035 0.000 0.980 209 Q CA 2.383 58.127 55.803 -0.099 0.000 0.840 209 Q CB -1.445 27.242 28.738 -0.085 0.000 0.898 209 Q HN 0.490 nan 8.270 nan 0.000 0.424 210 P HA -0.098 nan 4.420 nan 0.000 0.217 210 P C 0.795 178.178 177.300 0.137 0.000 1.150 210 P CA 0.922 64.055 63.100 0.056 0.000 0.832 210 P CB -0.213 31.519 31.700 0.053 0.000 0.787 211 F N 0.308 120.289 119.950 0.052 0.000 2.075 211 F HA -0.204 4.323 4.527 0.000 0.000 0.297 211 F C 2.027 178.008 175.800 0.301 0.000 1.113 211 F CA 1.450 59.566 58.000 0.192 0.000 1.218 211 F CB -0.770 38.388 39.000 0.264 0.000 0.984 211 F HN -0.319 nan 8.300 nan 0.000 0.472 212 V N 0.454 120.595 119.914 0.377 0.000 2.343 212 V HA -0.304 3.816 4.120 0.000 0.000 0.247 212 V C 2.188 178.375 176.094 0.155 0.000 1.051 212 V CA 2.354 64.811 62.300 0.262 0.000 1.036 212 V CB -0.740 31.143 31.823 0.100 0.000 0.654 212 V HN 0.364 nan 8.190 nan 0.000 0.451 213 E N 0.294 120.474 120.200 -0.033 0.000 2.106 213 E HA -0.133 4.217 4.350 0.000 0.000 0.192 213 E C 2.307 179.009 176.600 0.170 0.000 0.984 213 E CA 1.083 57.459 56.400 -0.039 0.000 0.806 213 E CB -0.454 29.177 29.700 -0.115 0.000 0.750 213 E HN 0.655 nan 8.360 nan 0.000 0.458 214 G N 1.190 110.106 108.800 0.194 0.000 2.470 214 G HA2 -0.220 3.740 3.960 0.000 0.000 0.220 214 G HA3 -0.220 3.740 3.960 0.000 0.000 0.220 214 G C 1.521 176.449 174.900 0.046 0.000 1.121 214 G CA 0.265 45.539 45.100 0.289 0.000 0.766 214 G HN 0.113 nan 8.290 nan 0.000 0.553 215 L N 0.593 121.760 121.223 -0.093 0.000 2.187 215 L HA -0.093 4.247 4.340 0.000 0.000 0.213 215 L C 3.248 179.968 176.870 -0.250 0.000 1.100 215 L CA 0.803 55.375 54.840 -0.447 0.000 0.765 215 L CB -0.248 41.649 42.059 -0.269 0.000 0.904 215 L HN 0.300 nan 8.230 nan 0.000 0.437 216 A N -0.731 122.110 122.820 0.035 0.000 2.125 216 A HA -0.241 4.079 4.320 0.000 0.000 0.219 216 A C 1.835 179.539 177.584 0.201 0.000 1.156 216 A CA 1.786 53.899 52.037 0.127 0.000 0.671 216 A CB -0.415 18.752 19.000 0.279 0.000 0.794 216 A HN 0.367 nan 8.150 nan 0.000 0.459 217 D N -1.608 118.868 120.400 0.127 0.000 2.340 217 D HA 0.126 4.766 4.640 0.000 0.000 0.220 217 D C 1.155 177.530 176.300 0.124 0.000 1.039 217 D CA 0.585 54.722 54.000 0.229 0.000 0.866 217 D CB 0.060 40.970 40.800 0.183 0.000 0.913 217 D HN 0.498 nan 8.370 nan 0.000 0.523 218 I N -1.503 118.915 120.570 -0.253 0.000 4.578 218 I HA 0.174 4.344 4.170 0.000 0.000 0.312 218 I C -0.619 175.062 176.117 -0.727 0.000 1.224 218 I CA 0.088 60.998 61.300 -0.649 0.000 1.318 218 I CB 0.972 38.461 38.000 -0.851 0.000 1.388 218 I HN -0.325 nan 8.210 nan 0.000 0.461 219 V N 1.513 121.222 119.914 -0.342 0.000 2.815 219 V HA 0.319 4.439 4.120 0.000 0.000 0.314 219 V C -0.740 175.474 176.094 0.201 0.000 1.064 219 V CA -0.652 61.583 62.300 -0.108 0.000 0.952 219 V CB 1.646 33.396 31.823 -0.122 0.000 1.020 219 V HN 0.081 nan 8.190 nan 0.000 0.439 220 D N 3.407 123.979 120.400 0.287 0.000 2.508 220 D HA 0.137 4.777 4.640 0.000 0.000 0.224 220 D C 1.032 177.369 176.300 0.062 0.000 1.171 220 D CA -0.190 53.961 54.000 0.251 0.000 1.006 220 D CB 0.623 41.561 40.800 0.229 0.000 1.073 220 D HN 0.306 nan 8.370 nan 0.000 0.513 221 M N 1.428 121.020 119.600 -0.013 0.000 2.229 221 M HA -0.053 4.427 4.480 0.000 0.000 0.264 221 M C 2.013 178.307 176.300 -0.010 0.000 1.063 221 M CA 0.541 55.759 55.300 -0.136 0.000 1.114 221 M CB -1.124 31.186 32.600 -0.483 0.000 1.387 221 M HN 0.384 nan 8.290 nan 0.000 0.420 222 A N 0.520 123.361 122.820 0.034 0.000 1.902 222 A HA 0.009 4.329 4.320 0.000 0.000 0.217 222 A C 2.470 180.076 177.584 0.038 0.000 1.181 222 A CA 2.060 54.126 52.037 0.048 0.000 0.623 222 A CB -0.836 18.182 19.000 0.031 0.000 0.818 222 A HN 0.462 nan 8.150 nan 0.000 0.443 223 A N -0.117 122.722 122.820 0.032 0.000 1.898 223 A HA -0.051 4.269 4.320 0.000 0.000 0.216 223 A C 2.115 179.720 177.584 0.036 0.000 1.181 223 A CA 1.468 53.526 52.037 0.035 0.000 0.620 223 A CB -0.577 18.449 19.000 0.044 0.000 0.819 223 A HN 0.498 nan 8.150 nan 0.000 0.442 224 I N -0.534 120.055 120.570 0.032 0.000 2.179 224 I HA -0.325 3.845 4.170 0.000 0.000 0.242 224 I C 2.813 178.963 176.117 0.055 0.000 1.088 224 I CA 1.581 62.905 61.300 0.039 0.000 1.357 224 I CB -0.520 37.501 38.000 0.033 0.000 1.051 224 I HN 0.432 nan 8.210 nan 0.000 0.409 225 Q N 0.686 120.523 119.800 0.062 0.000 2.030 225 Q HA -0.294 4.046 4.340 0.000 0.000 0.204 225 Q C 2.274 178.309 176.000 0.057 0.000 0.986 225 Q CA 1.835 57.684 55.803 0.076 0.000 0.843 225 Q CB -0.272 28.521 28.738 0.092 0.000 0.904 225 Q HN 0.389 nan 8.270 nan 0.000 0.420 226 K N 0.303 120.731 120.400 0.047 0.000 2.147 226 K HA -0.131 4.189 4.320 0.000 0.000 0.205 226 K C 1.959 178.580 176.600 0.035 0.000 1.049 226 K CA 1.055 57.364 56.287 0.037 0.000 0.936 226 K CB -0.091 32.428 32.500 0.032 0.000 0.722 226 K HN 0.193 nan 8.250 nan 0.000 0.446 227 A N 0.542 123.384 122.820 0.038 0.000 2.015 227 A HA 0.047 4.367 4.320 0.000 0.000 0.219 227 A C 1.476 179.081 177.584 0.035 0.000 1.163 227 A CA 1.224 53.282 52.037 0.035 0.000 0.646 227 A CB -0.782 18.240 19.000 0.036 0.000 0.806 227 A HN 0.539 nan 8.150 nan 0.000 0.448 228 G N -0.719 108.106 108.800 0.041 0.000 2.305 228 G HA2 -0.234 3.726 3.960 0.000 0.000 0.287 228 G HA3 -0.234 3.726 3.960 0.000 0.000 0.287 228 G C 0.068 174.992 174.900 0.039 0.000 1.036 228 G CA 0.411 45.536 45.100 0.041 0.000 0.887 228 G HN 0.506 nan 8.290 nan 0.000 0.505 229 L N -0.206 121.043 121.223 0.043 0.000 2.483 229 L HA 0.280 4.620 4.340 0.000 0.000 0.275 229 L C 1.034 177.933 176.870 0.048 0.000 1.220 229 L CA 0.232 55.096 54.840 0.041 0.000 0.833 229 L CB 0.461 42.545 42.059 0.042 0.000 1.102 229 L HN 0.149 nan 8.230 nan 0.000 0.490 230 T N 4.205 118.792 114.554 0.054 0.000 2.762 230 T HA 0.495 4.845 4.350 0.000 0.000 0.303 230 T C -0.039 174.749 174.700 0.146 0.000 0.977 230 T CA -0.338 61.818 62.100 0.094 0.000 0.961 230 T CB 0.003 68.911 68.868 0.066 0.000 0.944 230 T HN 0.242 nan 8.240 nan 0.000 0.481 231 L N 2.523 123.781 121.223 0.059 0.000 2.331 231 L HA 0.838 5.178 4.340 0.000 0.000 0.275 231 L C 0.788 177.347 176.870 -0.519 0.000 1.022 231 L CA -0.914 53.794 54.840 -0.221 0.000 0.812 231 L CB 1.740 43.652 42.059 -0.245 0.000 1.257 231 L HN 0.650 nan 8.230 nan 0.000 0.435 232 G N 0.719 108.766 108.800 -1.256 0.000 2.533 232 G HA2 0.639 4.599 3.960 0.000 0.000 0.304 232 G HA3 0.639 4.599 3.960 0.000 0.000 0.304 232 G C -1.905 172.271 174.900 -1.206 0.000 1.263 232 G CA -0.540 43.531 45.100 -1.716 0.000 0.964 232 G HN 0.391 nan 8.290 nan 0.000 0.479 233 V N 0.528 119.951 119.914 -0.818 0.000 2.733 233 V HA 0.570 4.690 4.120 0.000 0.000 0.306 233 V C -1.745 174.124 176.094 -0.375 0.000 1.084 233 V CA -0.889 61.029 62.300 -0.636 0.000 0.905 233 V CB 2.149 33.491 31.823 -0.802 0.000 1.010 233 V HN 0.723 nan 8.190 nan 0.000 0.424 234 D N 7.569 127.817 120.400 -0.254 0.000 2.412 234 D HA 0.496 5.136 4.640 0.000 0.000 0.224 234 D C -1.951 174.339 176.300 -0.018 0.000 1.093 234 D CA -2.060 51.873 54.000 -0.112 0.000 0.850 234 D CB 2.366 43.131 40.800 -0.058 0.000 1.046 234 D HN 0.366 nan 8.370 nan 0.000 0.507 235 P HA 0.052 nan 4.420 nan 0.000 0.237 235 P C 0.649 178.117 177.300 0.281 0.000 1.178 235 P CA 0.097 63.366 63.100 0.283 0.000 0.766 235 P CB 0.042 31.914 31.700 0.286 0.000 0.876 236 L N -2.197 119.131 121.223 0.176 0.000 3.737 236 L HA -0.258 4.082 4.340 0.000 0.000 0.418 236 L C 1.059 178.222 176.870 0.489 0.000 1.216 236 L CA 0.384 55.427 54.840 0.339 0.000 0.915 236 L CB -2.508 39.717 42.059 0.277 0.000 1.834 236 L HN 0.364 nan 8.230 nan 0.000 0.943 237 G N -0.904 108.017 108.800 0.201 0.000 2.258 237 G HA2 -0.218 3.742 3.960 0.000 0.000 0.274 237 G HA3 -0.218 3.742 3.960 0.000 0.000 0.274 237 G C 0.681 175.683 174.900 0.171 0.000 1.021 237 G CA 0.593 45.771 45.100 0.130 0.000 0.798 237 G HN 0.973 nan 8.290 nan 0.000 0.507 238 G N -1.054 107.904 108.800 0.263 0.000 2.568 238 G HA2 0.631 4.591 3.960 0.000 0.000 0.293 238 G HA3 0.631 4.591 3.960 0.000 0.000 0.293 238 G C 1.306 176.146 174.900 -0.099 0.000 1.347 238 G CA 0.738 45.986 45.100 0.248 0.000 1.039 238 G HN 1.178 nan 8.290 nan 0.000 0.523 239 S N -1.817 113.759 115.700 -0.207 0.000 2.453 239 S HA 0.046 4.516 4.470 0.000 0.000 0.231 239 S C 1.873 176.132 174.600 -0.568 0.000 1.005 239 S CA 1.132 59.150 58.200 -0.304 0.000 0.949 239 S CB 0.002 63.109 63.200 -0.155 0.000 0.774 239 S HN 0.894 nan 8.310 nan 0.000 0.510 240 G N 0.700 108.620 108.800 -1.466 0.000 3.284 240 G HA2 0.318 4.278 3.960 0.000 0.000 0.236 240 G HA3 0.318 4.278 3.960 0.000 0.000 0.236 240 G C 0.875 175.529 174.900 -0.411 0.000 1.158 240 G CA -0.099 44.183 45.100 -1.363 0.000 0.774 240 G HN 0.517 nan 8.290 nan 0.000 0.545 241 I N -0.158 120.331 120.570 -0.135 0.000 2.208 241 I HA -0.145 4.025 4.170 0.000 0.000 0.245 241 I C 2.231 178.461 176.117 0.189 0.000 1.097 241 I CA 1.304 62.701 61.300 0.161 0.000 1.363 241 I CB 0.304 38.358 38.000 0.091 0.000 1.051 241 I HN 0.058 nan 8.210 nan 0.000 0.413 242 E N 0.116 120.399 120.200 0.139 0.000 2.208 242 E HA -0.197 4.153 4.350 0.000 0.000 0.193 242 E C 1.998 178.634 176.600 0.060 0.000 0.988 242 E CA 1.104 57.562 56.400 0.095 0.000 0.828 242 E CB -0.347 29.377 29.700 0.040 0.000 0.763 242 E HN 0.614 nan 8.360 nan 0.000 0.478 243 Y N -0.401 119.846 120.300 -0.089 0.000 2.145 243 Y HA -0.206 4.344 4.550 0.000 0.000 0.286 243 Y C 2.277 178.164 175.900 -0.021 0.000 1.145 243 Y CA 1.185 59.207 58.100 -0.130 0.000 1.148 243 Y CB -0.844 37.405 38.460 -0.352 0.000 0.981 243 Y HN 0.124 nan 8.280 nan 0.000 0.507 244 W N 0.605 122.083 121.300 0.297 0.000 2.338 244 W HA -0.202 4.458 4.660 -0.000 0.000 0.304 244 W C 2.345 178.977 176.519 0.189 0.000 1.212 244 W CA 1.232 58.732 57.345 0.257 0.000 1.264 244 W CB -0.244 29.367 29.460 0.251 0.000 1.142 244 W HN -0.055 nan 8.180 nan 0.000 0.512 245 K N -0.038 120.576 120.400 0.357 0.000 2.032 245 K HA -0.207 4.113 4.320 0.000 0.000 0.209 245 K C 1.971 178.687 176.600 0.193 0.000 1.048 245 K CA 1.539 57.963 56.287 0.229 0.000 0.927 245 K CB -0.371 32.218 32.500 0.149 0.000 0.712 245 K HN -0.046 nan 8.250 nan 0.000 0.441 246 R N 1.355 121.943 120.500 0.146 0.000 2.092 246 R HA -0.014 4.326 4.340 0.000 0.000 0.231 246 R C 2.015 178.436 176.300 0.201 0.000 1.119 246 R CA 1.011 57.173 56.100 0.104 0.000 0.970 246 R CB -0.290 29.999 30.300 -0.018 0.000 0.864 246 R HN 0.155 nan 8.270 nan 0.000 0.440 247 I N 0.080 120.826 120.570 0.292 0.000 2.142 247 I HA -0.273 3.897 4.170 0.000 0.000 0.240 247 I C 2.335 178.724 176.117 0.454 0.000 1.078 247 I CA 1.409 62.980 61.300 0.452 0.000 1.343 247 I CB -0.475 37.807 38.000 0.471 0.000 1.046 247 I HN 0.289 nan 8.210 nan 0.000 0.405 248 A N 0.213 123.259 122.820 0.377 0.000 1.917 248 A HA -0.306 4.014 4.320 0.000 0.000 0.219 248 A C 2.302 180.017 177.584 0.219 0.000 1.182 248 A CA 2.346 54.555 52.037 0.287 0.000 0.633 248 A CB -0.676 18.463 19.000 0.232 0.000 0.819 248 A HN 0.556 nan 8.150 nan 0.000 0.448 249 E N -1.651 118.662 120.200 0.188 0.000 2.033 249 E HA -0.207 4.143 4.350 0.000 0.000 0.189 249 E C 1.956 178.611 176.600 0.090 0.000 0.979 249 E CA 0.994 57.467 56.400 0.122 0.000 0.802 249 E CB -0.299 29.460 29.700 0.098 0.000 0.763 249 E HN 0.754 nan 8.360 nan 0.000 0.449 250 H N -0.938 118.122 119.070 -0.016 0.000 2.352 250 H HA -0.172 4.384 4.556 0.000 0.000 0.299 250 H C 0.976 176.141 175.328 -0.271 0.000 1.097 250 H CA 2.217 58.148 56.048 -0.195 0.000 1.311 250 H CB -0.077 29.480 29.762 -0.343 0.000 1.377 250 H HN 0.254 nan 8.280 nan 0.000 0.504 251 Y N 0.343 120.696 120.300 0.087 0.000 2.457 251 Y HA 0.209 4.759 4.550 -0.000 0.000 0.263 251 Y C 0.450 176.369 175.900 0.032 0.000 1.164 251 Y CA 0.020 58.140 58.100 0.033 0.000 1.274 251 Y CB 0.296 38.832 38.460 0.127 0.000 1.097 251 Y HN 0.034 nan 8.280 nan 0.000 0.523 252 K N 0.698 121.176 120.400 0.130 0.000 3.150 252 K HA -0.200 4.120 4.320 0.000 0.000 0.267 252 K C -0.805 175.869 176.600 0.123 0.000 1.028 252 K CA 0.284 56.627 56.287 0.094 0.000 0.753 252 K CB -2.027 30.499 32.500 0.044 0.000 1.288 252 K HN 0.343 nan 8.250 nan 0.000 0.473 253 L N 0.356 121.677 121.223 0.164 0.000 2.379 253 L HA 0.230 4.570 4.340 0.000 0.000 0.269 253 L C 1.043 177.982 176.870 0.116 0.000 1.084 253 L CA -0.862 54.068 54.840 0.150 0.000 0.802 253 L CB 0.683 42.860 42.059 0.196 0.000 1.175 253 L HN 0.075 nan 8.230 nan 0.000 0.448 254 N N 3.325 122.081 118.700 0.093 0.000 2.968 254 N HA 0.204 4.944 4.740 0.000 0.000 0.271 254 N C -1.254 174.298 175.510 0.070 0.000 1.174 254 N CA 0.087 53.183 53.050 0.077 0.000 1.096 254 N CB -0.184 38.342 38.487 0.065 0.000 1.403 254 N HN 0.476 nan 8.380 nan 0.000 0.522 255 L N 1.720 122.986 121.223 0.071 0.000 2.372 255 L HA 0.499 4.839 4.340 0.000 0.000 0.274 255 L C -0.892 175.985 176.870 0.012 0.000 0.988 255 L CA -0.416 54.435 54.840 0.020 0.000 0.833 255 L CB 1.416 43.528 42.059 0.089 0.000 1.236 255 L HN 0.116 nan 8.230 nan 0.000 0.410 256 T N 5.371 119.898 114.554 -0.046 0.000 2.771 256 T HA 0.466 4.816 4.350 0.000 0.000 0.281 256 T C -0.321 174.313 174.700 -0.110 0.000 0.982 256 T CA -0.430 61.665 62.100 -0.008 0.000 0.978 256 T CB 1.277 70.218 68.868 0.121 0.000 0.930 256 T HN 0.255 nan 8.240 nan 0.000 0.447 257 L N 4.183 125.378 121.223 -0.046 0.000 2.361 257 L HA 0.152 4.492 4.340 0.000 0.000 0.278 257 L C 1.725 178.565 176.870 -0.050 0.000 1.113 257 L CA 0.185 54.984 54.840 -0.069 0.000 0.849 257 L CB 0.762 42.818 42.059 -0.005 0.000 1.155 257 L HN 0.650 nan 8.230 nan 0.000 0.452 258 V N 0.801 120.665 119.914 -0.082 0.000 2.871 258 V HA 0.101 4.221 4.120 0.000 0.000 0.256 258 V C 0.523 176.601 176.094 -0.027 0.000 1.082 258 V CA 1.201 63.490 62.300 -0.018 0.000 1.105 258 V CB -1.160 30.658 31.823 -0.009 0.000 0.713 258 V HN 1.009 nan 8.190 nan 0.000 0.473 259 N N -0.591 118.067 118.700 -0.070 0.000 2.823 259 N HA 0.401 5.141 4.740 0.000 0.000 0.251 259 N C -0.929 174.504 175.510 -0.129 0.000 1.392 259 N CA -0.044 52.944 53.050 -0.102 0.000 0.864 259 N CB 1.286 39.683 38.487 -0.150 0.000 1.481 259 N HN 0.114 nan 8.380 nan 0.000 0.508 260 D N -1.068 119.251 120.400 -0.135 0.000 2.650 260 D HA 0.063 4.703 4.640 0.000 0.000 0.265 260 D C -0.651 175.546 176.300 -0.171 0.000 1.339 260 D CA -0.143 53.790 54.000 -0.111 0.000 0.816 260 D CB 0.013 40.787 40.800 -0.043 0.000 1.091 260 D HN 0.418 nan 8.370 nan 0.000 0.483 261 Q N 0.554 120.162 119.800 -0.320 0.000 2.311 261 Q HA 0.262 4.602 4.340 0.000 0.000 0.272 261 Q C -0.240 175.554 176.000 -0.345 0.000 1.012 261 Q CA 0.046 55.631 55.803 -0.363 0.000 0.891 261 Q CB 2.211 30.578 28.738 -0.619 0.000 1.201 261 Q HN 0.087 nan 8.270 nan 0.000 0.391 262 V N 3.370 123.173 119.914 -0.184 0.000 2.483 262 V HA 0.343 4.463 4.120 0.000 0.000 0.297 262 V C -0.542 175.459 176.094 -0.155 0.000 1.027 262 V CA -0.684 61.502 62.300 -0.191 0.000 0.855 262 V CB 1.963 33.687 31.823 -0.164 0.000 0.995 262 V HN 0.667 nan 8.190 nan 0.000 0.424 263 D N 3.073 123.324 120.400 -0.250 0.000 2.891 263 D HA 0.255 4.895 4.640 0.000 0.000 0.224 263 D C 0.392 176.378 176.300 -0.523 0.000 1.321 263 D CA -0.419 53.446 54.000 -0.226 0.000 0.929 263 D CB 2.433 43.219 40.800 -0.023 0.000 1.551 263 D HN 0.496 nan 8.370 nan 0.000 0.574 264 Q N 0.803 120.424 119.800 -0.299 0.000 2.436 264 Q HA -0.030 4.310 4.340 0.000 0.000 0.209 264 Q C 1.615 177.587 176.000 -0.047 0.000 0.965 264 Q CA 1.351 57.029 55.803 -0.209 0.000 0.910 264 Q CB 0.296 29.012 28.738 -0.037 0.000 0.980 264 Q HN 0.625 nan 8.270 nan 0.000 0.491 265 T N -3.555 110.950 114.554 -0.082 0.000 3.081 265 T HA -0.003 4.347 4.350 0.000 0.000 0.255 265 T C 0.478 175.201 174.700 0.038 0.000 1.113 265 T CA -0.239 61.867 62.100 0.009 0.000 1.082 265 T CB -0.200 68.653 68.868 -0.025 0.000 0.939 265 T HN 0.257 nan 8.240 nan 0.000 0.506 266 F N 1.794 121.586 119.950 -0.264 0.000 3.090 266 F HA -0.271 4.256 4.527 0.000 0.000 0.282 266 F C 1.586 176.937 175.800 -0.750 0.000 0.923 266 F CA 0.611 58.222 58.000 -0.649 0.000 0.977 266 F CB -1.884 36.790 39.000 -0.544 0.000 0.954 266 F HN 0.380 nan 8.300 nan 0.000 0.695 267 R N 0.671 120.983 120.500 -0.314 0.000 2.189 267 R HA -0.141 4.199 4.340 0.000 0.000 0.223 267 R C 1.924 178.115 176.300 -0.182 0.000 1.092 267 R CA 1.890 57.880 56.100 -0.185 0.000 0.989 267 R CB -0.895 29.365 30.300 -0.067 0.000 0.876 267 R HN 0.494 nan 8.270 nan 0.000 0.457 268 F N -0.158 119.787 119.950 -0.008 0.000 2.546 268 F HA 0.253 4.780 4.527 0.000 0.000 0.298 268 F C 0.709 176.517 175.800 0.012 0.000 1.120 268 F CA -0.579 57.417 58.000 -0.007 0.000 1.456 268 F CB -0.369 38.633 39.000 0.005 0.000 1.088 268 F HN -0.152 nan 8.300 nan 0.000 0.572 269 M N 1.506 120.905 119.600 -0.335 0.000 2.248 269 M HA 0.094 4.574 4.480 0.000 0.000 0.337 269 M C -0.340 175.908 176.300 -0.086 0.000 1.121 269 M CA 0.116 55.356 55.300 -0.100 0.000 1.155 269 M CB -0.085 32.389 32.600 -0.209 0.000 1.514 269 M HN 0.119 nan 8.290 nan 0.000 0.452 270 H N 1.289 120.352 119.070 -0.011 0.000 2.582 270 H HA 0.389 4.945 4.556 -0.000 0.000 0.345 270 H C -0.281 175.009 175.328 -0.063 0.000 1.104 270 H CA -0.242 55.791 56.048 -0.024 0.000 1.390 270 H CB 0.526 30.288 29.762 -0.001 0.000 1.461 270 H HN 0.491 nan 8.280 nan 0.000 0.551 271 L N 2.254 123.474 121.223 -0.005 0.000 2.456 271 L HA 0.025 4.365 4.340 0.000 0.000 0.272 271 L C 0.945 177.782 176.870 -0.055 0.000 1.189 271 L CA -0.014 54.782 54.840 -0.074 0.000 0.846 271 L CB 0.330 42.313 42.059 -0.127 0.000 1.111 271 L HN 0.661 nan 8.230 nan 0.000 0.475 272 D N 1.577 121.918 120.400 -0.099 0.000 2.393 272 D HA 0.115 4.755 4.640 0.000 0.000 0.246 272 D C 1.137 177.397 176.300 -0.067 0.000 1.275 272 D CA 0.475 54.422 54.000 -0.089 0.000 0.979 272 D CB 0.976 41.698 40.800 -0.131 0.000 1.101 272 D HN 0.469 nan 8.370 nan 0.000 0.505 273 K N 0.379 120.750 120.400 -0.048 0.000 2.228 273 K HA -0.183 4.137 4.320 0.000 0.000 0.205 273 K C 1.074 177.682 176.600 0.012 0.000 1.045 273 K CA 2.369 58.648 56.287 -0.013 0.000 0.931 273 K CB -0.763 31.727 32.500 -0.017 0.000 0.727 273 K HN 0.694 nan 8.250 nan 0.000 0.458 274 D N -3.259 117.127 120.400 -0.023 0.000 2.402 274 D HA 0.243 4.883 4.640 0.000 0.000 0.216 274 D C 1.074 177.313 176.300 -0.102 0.000 1.128 274 D CA 0.632 54.635 54.000 0.005 0.000 0.833 274 D CB -0.097 40.694 40.800 -0.015 0.000 0.971 274 D HN 0.634 nan 8.370 nan 0.000 0.503 275 G N -0.224 108.415 108.800 -0.269 0.000 2.179 275 G HA2 -0.181 3.779 3.960 0.000 0.000 0.260 275 G HA3 -0.181 3.779 3.960 0.000 0.000 0.260 275 G C 0.557 175.221 174.900 -0.393 0.000 0.977 275 G CA 0.193 44.878 45.100 -0.692 0.000 0.641 275 G HN 0.835 nan 8.290 nan 0.000 0.533 276 A N -0.242 122.437 122.820 -0.234 0.000 2.287 276 A HA 0.746 5.066 4.320 0.000 0.000 0.273 276 A C 0.509 177.988 177.584 -0.175 0.000 1.091 276 A CA -0.281 51.649 52.037 -0.178 0.000 0.817 276 A CB 0.434 19.351 19.000 -0.139 0.000 1.069 276 A HN 0.740 nan 8.150 nan 0.000 0.492 277 I N 1.453 121.924 120.570 -0.166 0.000 2.308 277 I HA 0.283 4.453 4.170 0.000 0.000 0.293 277 I C 0.612 176.596 176.117 -0.221 0.000 1.078 277 I CA 0.293 61.483 61.300 -0.183 0.000 1.292 277 I CB 0.168 38.064 38.000 -0.175 0.000 1.423 277 I HN 0.628 nan 8.210 nan 0.000 0.493 278 R N 6.060 126.423 120.500 -0.227 0.000 2.532 278 R HA 0.441 4.781 4.340 0.000 0.000 0.297 278 R C -0.760 175.393 176.300 -0.246 0.000 0.984 278 R CA -0.900 55.036 56.100 -0.274 0.000 0.884 278 R CB 1.349 31.450 30.300 -0.332 0.000 1.182 278 R HN 0.403 nan 8.270 nan 0.000 0.442 279 M N 3.150 122.620 119.600 -0.216 0.000 3.709 279 M HA 0.147 4.627 4.480 0.000 0.000 0.202 279 M C -0.632 175.668 176.300 0.000 0.000 1.360 279 M CA -0.100 55.144 55.300 -0.094 0.000 1.600 279 M CB -0.306 32.230 32.600 -0.108 0.000 1.061 279 M HN 0.278 nan 8.290 nan 0.000 0.575 280 D N -0.366 119.983 120.400 -0.085 0.000 2.380 280 D HA 0.120 4.760 4.640 0.000 0.000 0.230 280 D C 0.958 177.262 176.300 0.006 0.000 1.154 280 D CA -0.332 53.660 54.000 -0.012 0.000 0.859 280 D CB 0.822 41.491 40.800 -0.218 0.000 1.045 280 D HN 0.619 nan 8.370 nan 0.000 0.495 281 C N 1.919 121.236 119.300 0.028 0.000 2.491 281 C HA 0.050 4.510 4.460 0.000 0.000 0.277 281 C C 1.751 176.726 174.990 -0.025 0.000 1.455 281 C CA 0.341 59.356 59.018 -0.005 0.000 1.758 281 C CB -1.549 26.180 27.740 -0.019 0.000 1.745 281 C HN 0.526 nan 8.230 nan 0.000 0.558 282 S N -0.339 115.347 115.700 -0.023 0.000 2.554 282 S HA 0.205 4.675 4.470 0.000 0.000 0.226 282 S C 0.365 174.943 174.600 -0.037 0.000 0.980 282 S CA 0.269 58.445 58.200 -0.040 0.000 0.939 282 S CB -0.360 62.809 63.200 -0.052 0.000 0.832 282 S HN 0.559 nan 8.310 nan 0.000 0.486 283 S N 1.487 117.164 115.700 -0.038 0.000 2.429 283 S HA 0.366 4.836 4.470 0.000 0.000 0.302 283 S C 0.035 174.608 174.600 -0.044 0.000 1.115 283 S CA -0.530 57.642 58.200 -0.046 0.000 1.095 283 S CB 0.652 63.811 63.200 -0.068 0.000 0.987 283 S HN 0.521 nan 8.310 nan 0.000 0.474 287 M N 0.854 120.436 119.600 -0.031 0.000 2.505 287 M HA 0.286 4.766 4.480 0.000 0.000 0.230 287 M C 1.894 178.125 176.300 -0.115 0.000 1.153 287 M CA 0.900 56.171 55.300 -0.048 0.000 0.997 287 M CB -0.540 32.032 32.600 -0.046 0.000 1.606 287 M HN 0.598 nan 8.290 nan 0.000 0.481 288 A N 0.771 123.482 122.820 -0.183 0.000 1.948 288 A HA -0.073 4.247 4.320 0.000 0.000 0.220 288 A C 2.312 179.610 177.584 -0.477 0.000 1.177 288 A CA 2.114 53.956 52.037 -0.325 0.000 0.636 288 A CB -1.170 17.617 19.000 -0.356 0.000 0.815 288 A HN 0.510 nan 8.150 nan 0.000 0.449 289 G N -0.337 108.108 108.800 -0.593 0.000 2.421 289 G HA2 -0.149 3.811 3.960 0.000 0.000 0.216 289 G HA3 -0.149 3.811 3.960 0.000 0.000 0.216 289 G C 1.472 176.311 174.900 -0.103 0.000 1.171 289 G CA 1.231 46.151 45.100 -0.301 0.000 0.775 289 G HN 0.498 nan 8.290 nan 0.000 0.543 290 L N 0.429 121.607 121.223 -0.074 0.000 2.109 290 L HA 0.214 4.554 4.340 0.000 0.000 0.207 290 L C 2.666 179.515 176.870 -0.035 0.000 1.086 290 L CA 1.168 55.982 54.840 -0.043 0.000 0.760 290 L CB -0.478 41.540 42.059 -0.068 0.000 0.910 290 L HN 0.199 nan 8.230 nan 0.000 0.437 291 L N -0.530 120.653 121.223 -0.067 0.000 2.131 291 L HA -0.173 4.167 4.340 0.000 0.000 0.210 291 L C 2.599 179.445 176.870 -0.041 0.000 1.092 291 L CA 1.072 55.880 54.840 -0.053 0.000 0.759 291 L CB -0.855 41.164 42.059 -0.068 0.000 0.903 291 L HN 0.366 nan 8.230 nan 0.000 0.435 292 A N -0.206 122.577 122.820 -0.061 0.000 2.076 292 A HA -0.114 4.206 4.320 0.000 0.000 0.220 292 A C 1.993 179.569 177.584 -0.014 0.000 1.160 292 A CA 1.311 53.325 52.037 -0.039 0.000 0.653 292 A CB -0.454 18.520 19.000 -0.044 0.000 0.801 292 A HN 0.458 nan 8.150 nan 0.000 0.455 293 L N -0.666 120.566 121.223 0.014 0.000 2.667 293 L HA 0.097 4.437 4.340 0.000 0.000 0.232 293 L C 2.238 179.147 176.870 0.066 0.000 1.138 293 L CA 0.225 55.092 54.840 0.044 0.000 0.921 293 L CB -0.113 42.033 42.059 0.145 0.000 1.180 293 L HN 0.510 nan 8.230 nan 0.000 0.487 294 R N -0.766 119.765 120.500 0.051 0.000 2.152 294 R HA -0.133 4.207 4.340 0.000 0.000 0.232 294 R C 0.753 177.067 176.300 0.023 0.000 1.117 294 R CA 1.373 57.521 56.100 0.080 0.000 0.981 294 R CB -0.432 29.886 30.300 0.029 0.000 0.870 294 R HN 0.155 nan 8.270 nan 0.000 0.451 295 D N 1.164 121.536 120.400 -0.047 0.000 2.350 295 D HA -0.053 4.587 4.640 0.000 0.000 0.216 295 D C 1.085 177.273 176.300 -0.187 0.000 0.968 295 D CA 0.890 54.838 54.000 -0.087 0.000 0.894 295 D CB 0.077 40.830 40.800 -0.078 0.000 0.909 295 D HN 0.359 nan 8.370 nan 0.000 0.520 296 K N -0.440 119.745 120.400 -0.359 0.000 2.418 296 K HA 0.051 4.371 4.320 0.000 0.000 0.195 296 K C -0.135 175.903 176.600 -0.937 0.000 1.035 296 K CA 0.372 56.221 56.287 -0.730 0.000 1.003 296 K CB 0.421 32.277 32.500 -1.073 0.000 0.793 296 K HN 0.106 nan 8.250 nan 0.000 0.494 297 F N -0.093 119.803 119.950 -0.090 0.000 2.576 297 F HA 0.212 4.739 4.527 0.000 0.000 0.313 297 F C 0.982 176.724 175.800 -0.097 0.000 1.078 297 F CA -1.303 56.629 58.000 -0.113 0.000 0.921 297 F CB 1.330 40.226 39.000 -0.173 0.000 1.232 297 F HN -0.237 nan 8.300 nan 0.000 0.459 298 D N 0.789 121.248 120.400 0.097 0.000 2.149 298 D HA -0.074 4.566 4.640 0.000 0.000 0.198 298 D C 0.085 176.401 176.300 0.027 0.000 0.990 298 D CA 1.846 55.871 54.000 0.042 0.000 0.839 298 D CB 0.369 41.187 40.800 0.031 0.000 0.948 298 D HN 0.236 nan 8.370 nan 0.000 0.460 299 L N -1.231 119.988 121.223 -0.007 0.000 2.545 299 L HA 0.541 4.881 4.340 0.000 0.000 0.258 299 L C -1.987 174.656 176.870 -0.378 0.000 0.942 299 L CA -0.557 54.218 54.840 -0.108 0.000 0.855 299 L CB 2.007 44.036 42.059 -0.050 0.000 1.374 299 L HN -0.109 nan 8.230 nan 0.000 0.411 300 A N 3.160 125.712 122.820 -0.447 0.000 2.566 300 A HA 0.944 5.264 4.320 0.000 0.000 0.292 300 A C -1.706 175.549 177.584 -0.548 0.000 1.112 300 A CA -0.493 51.060 52.037 -0.806 0.000 0.707 300 A CB 1.229 19.840 19.000 -0.648 0.000 1.302 300 A HN 0.580 nan 8.150 nan 0.000 0.409 301 F N -0.482 119.247 119.950 -0.369 0.000 2.613 301 F HA 0.826 5.353 4.527 -0.000 0.000 0.314 301 F C 0.409 176.038 175.800 -0.285 0.000 1.075 301 F CA -0.728 57.086 58.000 -0.310 0.000 0.945 301 F CB 2.534 41.278 39.000 -0.427 0.000 1.310 301 F HN 0.889 nan 8.300 nan 0.000 0.467 302 A N 1.563 124.415 122.820 0.052 0.000 2.594 302 A HA 0.836 5.156 4.320 0.000 0.000 0.291 302 A C -1.831 175.741 177.584 -0.021 0.000 1.105 302 A CA -0.909 51.124 52.037 -0.007 0.000 0.694 302 A CB 2.031 21.020 19.000 -0.018 0.000 1.291 302 A HN 0.854 nan 8.150 nan 0.000 0.410 303 N N 0.231 118.844 118.700 -0.146 0.000 2.329 303 N HA 0.510 5.250 4.740 0.000 0.000 0.282 303 N C -1.562 173.801 175.510 -0.246 0.000 1.198 303 N CA -0.778 52.066 53.050 -0.343 0.000 0.790 303 N CB 1.641 39.506 38.487 -1.038 0.000 1.579 303 N HN 0.786 nan 8.380 nan 0.000 0.475 304 D N -0.041 120.280 120.400 -0.132 0.000 2.398 304 D HA 0.170 4.810 4.640 0.000 0.000 0.247 304 D C -1.948 174.426 176.300 0.123 0.000 1.227 304 D CA -1.553 52.459 54.000 0.020 0.000 0.980 304 D CB 0.047 40.866 40.800 0.031 0.000 1.106 304 D HN 0.202 nan 8.370 nan 0.000 0.493 305 P HA -0.081 nan 4.420 nan 0.000 0.220 305 P C 0.515 177.988 177.300 0.288 0.000 1.148 305 P CA 1.320 64.585 63.100 0.275 0.000 0.803 305 P CB 0.035 31.867 31.700 0.219 0.000 0.782 306 D N -3.481 117.034 120.400 0.190 0.000 2.340 306 D HA -0.099 4.541 4.640 0.000 0.000 0.220 306 D C 0.074 176.473 176.300 0.165 0.000 1.039 306 D CA -0.276 53.794 54.000 0.117 0.000 0.866 306 D CB -0.967 39.848 40.800 0.026 0.000 0.913 306 D HN 0.102 nan 8.370 nan 0.000 0.523 307 Y N 0.889 121.157 120.300 -0.053 0.000 4.177 307 Y HA -0.233 4.317 4.550 -0.000 0.000 0.227 307 Y C 0.855 176.716 175.900 -0.064 0.000 1.154 307 Y CA 0.407 58.471 58.100 -0.060 0.000 1.887 307 Y CB -2.200 36.157 38.460 -0.171 0.000 1.594 307 Y HN 0.312 nan 8.280 nan 0.000 0.668 308 D N -1.196 119.210 120.400 0.009 0.000 2.367 308 D HA 0.120 4.760 4.640 0.000 0.000 0.207 308 D C 0.742 177.030 176.300 -0.019 0.000 1.034 308 D CA 0.305 54.283 54.000 -0.037 0.000 0.861 308 D CB 0.258 40.993 40.800 -0.109 0.000 0.943 308 D HN 0.398 nan 8.370 nan 0.000 0.515 309 R N -0.084 120.402 120.500 -0.024 0.000 2.873 309 R HA 0.466 4.806 4.340 0.000 0.000 0.264 309 R C -0.275 176.038 176.300 0.023 0.000 1.026 309 R CA -0.811 55.272 56.100 -0.028 0.000 1.002 309 R CB 1.564 31.801 30.300 -0.105 0.000 1.174 309 R HN 0.255 nan 8.270 nan 0.000 0.488 310 H N -1.499 117.581 119.070 0.017 0.000 2.851 310 H HA 0.596 5.152 4.556 0.000 0.000 0.372 310 H C -1.021 174.318 175.328 0.019 0.000 1.158 310 H CA -1.199 54.862 56.048 0.022 0.000 1.159 310 H CB 2.117 31.926 29.762 0.079 0.000 1.757 310 H HN 0.768 nan 8.280 nan 0.000 0.546 311 G N 2.306 111.149 108.800 0.072 0.000 2.590 311 G HA2 0.491 4.451 3.960 0.000 0.000 0.310 311 G HA3 0.491 4.451 3.960 0.000 0.000 0.310 311 G C -0.978 173.941 174.900 0.032 0.000 1.347 311 G CA -0.663 44.446 45.100 0.015 0.000 0.963 311 G HN 0.474 nan 8.290 nan 0.000 0.494 312 I N 2.577 123.124 120.570 -0.038 0.000 2.362 312 I HA 0.378 4.548 4.170 0.000 0.000 0.289 312 I C -0.249 175.824 176.117 -0.073 0.000 0.994 312 I CA -1.015 60.231 61.300 -0.089 0.000 1.158 312 I CB 1.221 39.013 38.000 -0.346 0.000 1.315 312 I HN 0.047 nan 8.210 nan 0.000 0.451 313 V N 5.799 125.678 119.914 -0.058 0.000 2.555 313 V HA 0.694 4.814 4.120 0.000 0.000 0.302 313 V C 0.378 176.442 176.094 -0.050 0.000 1.038 313 V CA -0.362 61.903 62.300 -0.060 0.000 0.887 313 V CB 2.189 33.966 31.823 -0.076 0.000 0.991 313 V HN 0.954 nan 8.190 nan 0.000 0.434 314 T N 1.873 116.413 114.554 -0.023 0.000 2.831 314 T HA 0.519 4.869 4.350 0.000 0.000 0.287 314 T C -2.472 172.231 174.700 0.005 0.000 1.070 314 T CA -2.033 60.065 62.100 -0.003 0.000 1.010 314 T CB 2.110 70.984 68.868 0.011 0.000 1.264 314 T HN 0.303 nan 8.240 nan 0.000 0.532 315 P HA 0.117 nan 4.420 nan 0.000 0.225 315 P C 1.250 178.552 177.300 0.002 0.000 1.148 315 P CA 0.934 64.036 63.100 0.003 0.000 0.779 315 P CB -0.273 31.425 31.700 -0.002 0.000 0.780 316 A N -1.263 121.561 122.820 0.008 0.000 2.167 316 A HA 0.432 4.752 4.320 0.000 0.000 0.214 316 A C 1.253 178.840 177.584 0.004 0.000 1.151 316 A CA 1.241 53.285 52.037 0.011 0.000 0.735 316 A CB -0.806 18.209 19.000 0.026 0.000 0.802 316 A HN 0.333 nan 8.150 nan 0.000 0.467 317 G N -1.780 107.018 108.800 -0.004 0.000 2.318 317 G HA2 0.210 4.170 3.960 0.000 0.000 0.367 317 G HA3 0.210 4.170 3.960 0.000 0.000 0.367 317 G C -0.904 173.981 174.900 -0.024 0.000 1.260 317 G CA -0.358 44.733 45.100 -0.015 0.000 1.055 317 G HN 0.939 nan 8.290 nan 0.000 0.484 318 L N 1.368 122.570 121.223 -0.035 0.000 2.313 318 L HA 0.694 5.034 4.340 0.000 0.000 0.282 318 L C 1.069 177.908 176.870 -0.053 0.000 1.092 318 L CA -0.253 54.559 54.840 -0.046 0.000 0.831 318 L CB 0.659 42.688 42.059 -0.050 0.000 1.159 318 L HN 0.641 nan 8.230 nan 0.000 0.442 319 M N 4.338 123.905 119.600 -0.054 0.000 2.239 319 M HA 0.036 4.516 4.480 0.000 0.000 0.348 319 M C 0.421 176.664 176.300 -0.096 0.000 1.239 319 M CA 0.050 55.317 55.300 -0.055 0.000 1.114 319 M CB 0.292 32.871 32.600 -0.034 0.000 1.641 319 M HN 0.670 nan 8.290 nan 0.000 0.453 320 N N 4.946 123.525 118.700 -0.203 0.000 2.440 320 N HA 0.022 4.762 4.740 0.000 0.000 0.265 320 N C -2.085 173.315 175.510 -0.183 0.000 1.239 320 N CA -1.093 51.756 53.050 -0.336 0.000 0.909 320 N CB 0.976 38.948 38.487 -0.860 0.000 1.066 320 N HN 0.297 nan 8.380 nan 0.000 0.474 321 P HA -0.112 nan 4.420 nan 0.000 0.216 321 P C 1.148 178.504 177.300 0.094 0.000 1.150 321 P CA 1.911 65.040 63.100 0.048 0.000 0.837 321 P CB -0.082 31.616 31.700 -0.005 0.000 0.786 322 N N -0.893 117.794 118.700 -0.022 0.000 2.120 322 N HA -0.233 4.507 4.740 0.000 0.000 0.188 322 N C 1.726 177.339 175.510 0.172 0.000 1.024 322 N CA 1.707 54.783 53.050 0.042 0.000 0.852 322 N CB -1.926 36.511 38.487 -0.083 0.000 1.003 322 N HN 0.439 nan 8.380 nan 0.000 0.424 323 H N -2.642 116.367 119.070 -0.102 0.000 2.353 323 H HA -0.093 4.463 4.556 0.000 0.000 0.300 323 H C 2.057 177.443 175.328 0.097 0.000 1.090 323 H CA 1.377 57.279 56.048 -0.244 0.000 1.327 323 H CB -0.113 29.149 29.762 -0.834 0.000 1.383 323 H HN 0.605 nan 8.280 nan 0.000 0.508 324 Y N 1.869 122.255 120.300 0.142 0.000 2.224 324 Y HA -0.190 4.360 4.550 -0.000 0.000 0.289 324 Y C 2.221 178.230 175.900 0.181 0.000 1.146 324 Y CA 0.940 59.139 58.100 0.166 0.000 1.182 324 Y CB -0.553 38.013 38.460 0.176 0.000 0.983 324 Y HN 0.067 nan 8.280 nan 0.000 0.524 325 L N -0.484 120.803 121.223 0.107 0.000 2.012 325 L HA -0.282 4.058 4.340 0.000 0.000 0.210 325 L C 2.765 179.575 176.870 -0.100 0.000 1.073 325 L CA 1.400 56.256 54.840 0.026 0.000 0.748 325 L CB -1.121 41.058 42.059 0.200 0.000 0.891 325 L HN 0.299 nan 8.230 nan 0.000 0.431 326 A N -0.402 122.453 122.820 0.058 0.000 1.902 326 A HA -0.143 4.177 4.320 0.000 0.000 0.217 326 A C 2.341 179.937 177.584 0.021 0.000 1.181 326 A CA 1.771 53.849 52.037 0.068 0.000 0.623 326 A CB -0.808 18.337 19.000 0.242 0.000 0.818 326 A HN 0.196 nan 8.150 nan 0.000 0.443 327 V N -0.130 119.833 119.914 0.082 0.000 2.295 327 V HA -0.249 3.871 4.120 0.000 0.000 0.246 327 V C 3.069 179.082 176.094 -0.134 0.000 1.049 327 V CA 1.927 64.264 62.300 0.061 0.000 1.024 327 V CB -1.259 30.691 31.823 0.211 0.000 0.648 327 V HN 0.626 nan 8.190 nan 0.000 0.447 328 A N 0.034 122.630 122.820 -0.374 0.000 1.883 328 A HA -0.216 4.104 4.320 0.000 0.000 0.217 328 A C 2.178 179.501 177.584 -0.434 0.000 1.186 328 A CA 2.197 53.933 52.037 -0.501 0.000 0.624 328 A CB -0.594 17.985 19.000 -0.701 0.000 0.822 328 A HN 0.505 nan 8.150 nan 0.000 0.444 329 I N -0.104 120.143 120.570 -0.538 0.000 2.179 329 I HA -0.279 3.891 4.170 0.000 0.000 0.242 329 I C 2.544 178.648 176.117 -0.021 0.000 1.088 329 I CA 1.614 62.703 61.300 -0.352 0.000 1.357 329 I CB -0.472 37.275 38.000 -0.422 0.000 1.051 329 I HN 0.526 nan 8.210 nan 0.000 0.409 330 N N 0.304 118.983 118.700 -0.035 0.000 2.166 330 N HA -0.271 4.469 4.740 0.000 0.000 0.186 330 N C 2.160 177.712 175.510 0.071 0.000 1.019 330 N CA 1.522 54.600 53.050 0.047 0.000 0.856 330 N CB -0.027 38.507 38.487 0.079 0.000 0.993 330 N HN 0.356 nan 8.380 nan 0.000 0.426 331 Y N 1.520 121.761 120.300 -0.099 0.000 2.153 331 Y HA -0.042 4.508 4.550 -0.000 0.000 0.289 331 Y C 2.372 178.232 175.900 -0.068 0.000 1.127 331 Y CA 1.197 59.224 58.100 -0.122 0.000 1.131 331 Y CB -0.531 37.723 38.460 -0.343 0.000 0.995 331 Y HN -0.022 nan 8.280 nan 0.000 0.505 332 L N -0.963 120.163 121.223 -0.163 0.000 2.012 332 L HA -0.260 4.080 4.340 0.000 0.000 0.210 332 L C 2.116 178.639 176.870 -0.579 0.000 1.073 332 L CA 1.598 56.166 54.840 -0.452 0.000 0.748 332 L CB -0.667 41.118 42.059 -0.457 0.000 0.891 332 L HN 0.197 nan 8.230 nan 0.000 0.431 333 F N -0.537 119.298 119.950 -0.191 0.000 2.699 333 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 333 F C 2.238 177.934 175.800 -0.174 0.000 1.154 333 F CA 0.778 58.715 58.000 -0.106 0.000 1.457 333 F CB -0.216 38.782 39.000 -0.002 0.000 1.106 333 F HN 0.164 nan 8.300 nan 0.000 0.585 334 Q N -1.735 117.971 119.800 -0.157 0.000 2.247 334 Q HA 0.077 4.417 4.340 0.000 0.000 0.211 334 Q C 0.027 175.631 176.000 -0.660 0.000 0.861 334 Q CA 0.337 55.956 55.803 -0.307 0.000 0.949 334 Q CB 0.305 28.891 28.738 -0.253 0.000 1.115 334 Q HN 0.482 nan 8.270 nan 0.000 0.507 335 H N -0.540 118.181 119.070 -0.582 0.000 2.637 335 H HA 0.294 4.850 4.556 -0.000 0.000 0.245 335 H C -0.629 174.391 175.328 -0.513 0.000 1.190 335 H CA -0.200 55.500 56.048 -0.581 0.000 0.934 335 H CB 0.697 29.889 29.762 -0.951 0.000 1.950 335 H HN -0.179 nan 8.280 nan 0.000 0.614 336 R N 1.250 121.441 120.500 -0.516 0.000 2.687 336 R HA 0.166 4.506 4.340 0.000 0.000 0.264 336 R C -2.268 173.768 176.300 -0.441 0.000 1.715 336 R CA -1.373 54.303 56.100 -0.708 0.000 1.633 336 R CB 0.770 30.015 30.300 -1.757 0.000 1.353 336 R HN 0.231 nan 8.270 nan 0.000 0.653 337 P HA -0.104 nan 4.420 nan 0.000 0.220 337 P C 1.030 178.320 177.300 -0.017 0.000 1.148 337 P CA 0.835 63.870 63.100 -0.109 0.000 0.803 337 P CB 0.444 32.090 31.700 -0.090 0.000 0.782 338 L N -2.463 118.766 121.223 0.011 0.000 2.552 338 L HA 0.027 4.367 4.340 0.000 0.000 0.227 338 L C 0.643 177.708 176.870 0.326 0.000 1.146 338 L CA 0.060 54.989 54.840 0.148 0.000 0.858 338 L CB -0.624 41.543 42.059 0.179 0.000 0.969 338 L HN -0.047 nan 8.230 nan 0.000 0.451 339 W N 1.828 123.137 121.300 0.015 0.000 2.365 339 W HA 0.428 5.088 4.660 0.000 0.000 0.371 339 W C 0.894 177.449 176.519 0.059 0.000 1.006 339 W CA -1.531 55.829 57.345 0.025 0.000 1.528 339 W CB -0.816 28.615 29.460 -0.049 0.000 1.497 339 W HN -0.116 nan 8.180 nan 0.000 0.367 340 G N 2.495 111.450 108.800 0.259 0.000 2.553 340 G HA2 0.102 4.062 3.960 0.000 0.000 0.278 340 G HA3 0.102 4.062 3.960 0.000 0.000 0.278 340 G C 1.003 176.007 174.900 0.173 0.000 1.349 340 G CA -0.476 44.728 45.100 0.173 0.000 1.037 340 G HN 0.446 nan 8.290 nan 0.000 0.508 341 K N -0.910 119.562 120.400 0.120 0.000 2.362 341 K HA -0.077 4.243 4.320 0.000 0.000 0.200 341 K C 0.915 177.575 176.600 0.099 0.000 1.046 341 K CA 1.620 57.969 56.287 0.104 0.000 0.952 341 K CB -0.009 32.532 32.500 0.068 0.000 0.753 341 K HN 0.427 nan 8.250 nan 0.000 0.466 342 D N 1.130 121.589 120.400 0.098 0.000 2.336 342 D HA -0.012 4.628 4.640 0.000 0.000 0.229 342 D C -0.087 176.278 176.300 0.108 0.000 1.061 342 D CA -0.117 53.934 54.000 0.086 0.000 0.875 342 D CB 0.092 40.930 40.800 0.064 0.000 0.904 342 D HN 0.013 nan 8.370 nan 0.000 0.525 343 V N 0.728 120.734 119.914 0.153 0.000 2.357 343 V HA 0.672 4.792 4.120 0.000 0.000 0.284 343 V C 0.371 176.615 176.094 0.250 0.000 1.018 343 V CA -0.989 61.423 62.300 0.186 0.000 0.841 343 V CB 1.068 32.999 31.823 0.180 0.000 0.991 343 V HN 0.348 nan 8.190 nan 0.000 0.437 344 A N 4.768 127.715 122.820 0.213 0.000 2.261 344 A HA 0.915 5.235 4.320 0.000 0.000 0.323 344 A C -0.557 177.000 177.584 -0.046 0.000 1.107 344 A CA -0.635 51.438 52.037 0.062 0.000 0.883 344 A CB 1.517 20.550 19.000 0.055 0.000 1.251 344 A HN 0.630 nan 8.150 nan 0.000 0.502 345 V N 0.732 120.472 119.914 -0.290 0.000 2.370 345 V HA 0.560 4.680 4.120 0.000 0.000 0.283 345 V C 0.884 176.757 176.094 -0.369 0.000 1.023 345 V CA -0.225 61.874 62.300 -0.335 0.000 0.857 345 V CB 0.956 32.469 31.823 -0.516 0.000 0.985 345 V HN 1.104 nan 8.190 nan 0.000 0.443 346 G N 3.544 112.090 108.800 -0.422 0.000 2.415 346 G HA2 0.563 4.523 3.960 0.000 0.000 0.269 346 G HA3 0.563 4.523 3.960 0.000 0.000 0.269 346 G C -0.595 174.207 174.900 -0.163 0.000 1.209 346 G CA -0.341 44.476 45.100 -0.471 0.000 0.835 346 G HN 0.673 nan 8.290 nan 0.000 0.534 347 K N 0.681 121.143 120.400 0.104 0.000 2.525 347 K HA 0.415 4.735 4.320 0.000 0.000 0.254 347 K C -0.023 176.704 176.600 0.213 0.000 0.934 347 K CA -0.609 55.768 56.287 0.150 0.000 0.802 347 K CB 1.781 34.276 32.500 -0.007 0.000 1.295 347 K HN 0.667 nan 8.250 nan 0.000 0.433 348 T N 0.856 115.564 114.554 0.257 0.000 2.849 348 T HA 0.143 4.493 4.350 0.000 0.000 0.284 348 T C 1.528 176.187 174.700 -0.068 0.000 1.004 348 T CA -0.747 61.398 62.100 0.075 0.000 1.021 348 T CB 0.897 69.831 68.868 0.110 0.000 1.013 348 T HN 0.707 nan 8.240 nan 0.000 0.527 349 L N 1.940 123.069 121.223 -0.156 0.000 2.081 349 L HA -0.089 4.251 4.340 0.000 0.000 0.212 349 L C 2.042 178.712 176.870 -0.334 0.000 1.080 349 L CA 2.014 56.701 54.840 -0.255 0.000 0.754 349 L CB -0.337 41.587 42.059 -0.224 0.000 0.893 349 L HN 0.773 nan 8.230 nan 0.000 0.433 350 V N -4.853 114.952 119.914 -0.181 0.000 3.542 350 V HA 0.269 4.389 4.120 0.000 0.000 0.296 350 V C 1.066 177.338 176.094 0.298 0.000 1.364 350 V CA -0.350 61.946 62.300 -0.007 0.000 1.118 350 V CB -0.092 31.551 31.823 -0.301 0.000 0.972 350 V HN 0.206 nan 8.190 nan 0.000 0.430 351 S N 1.249 117.026 115.700 0.130 0.000 2.600 351 S HA 0.373 4.843 4.470 0.000 0.000 0.265 351 S C 0.483 175.285 174.600 0.338 0.000 1.325 351 S CA 0.272 58.598 58.200 0.210 0.000 1.002 351 S CB 1.253 64.537 63.200 0.140 0.000 0.921 351 S HN 0.698 nan 8.310 nan 0.000 0.554 352 S N 0.743 116.663 115.700 0.368 0.000 2.568 352 S HA 0.229 4.699 4.470 0.000 0.000 0.282 352 S C 1.079 175.933 174.600 0.422 0.000 1.338 352 S CA -0.261 58.257 58.200 0.531 0.000 1.045 352 S CB 0.468 63.914 63.200 0.410 0.000 0.873 352 S HN 0.783 nan 8.310 nan 0.000 0.516 353 A N 4.796 127.981 122.820 0.609 0.000 2.239 353 A HA 0.037 4.357 4.320 0.000 0.000 0.209 353 A C 1.774 179.490 177.584 0.220 0.000 1.171 353 A CA 0.925 53.167 52.037 0.342 0.000 0.768 353 A CB -0.611 18.640 19.000 0.418 0.000 0.790 353 A HN 0.905 nan 8.150 nan 0.000 0.478 354 M N 0.091 119.977 119.600 0.477 0.000 2.149 354 M HA -0.090 4.390 4.480 0.000 0.000 0.261 354 M C 1.655 177.964 176.300 0.015 0.000 1.064 354 M CA 1.650 57.138 55.300 0.313 0.000 1.102 354 M CB -0.559 32.291 32.600 0.417 0.000 1.369 354 M HN 0.448 nan 8.290 nan 0.000 0.408 355 I N -0.015 120.587 120.570 0.053 0.000 2.179 355 I HA -0.327 3.843 4.170 0.000 0.000 0.242 355 I C 1.631 177.664 176.117 -0.140 0.000 1.088 355 I CA 1.584 62.857 61.300 -0.045 0.000 1.357 355 I CB -0.901 37.091 38.000 -0.014 0.000 1.051 355 I HN 0.257 nan 8.210 nan 0.000 0.409 356 D N 0.750 121.064 120.400 -0.144 0.000 2.116 356 D HA -0.193 4.447 4.640 0.000 0.000 0.193 356 D C 2.307 178.440 176.300 -0.278 0.000 0.998 356 D CA 1.339 55.220 54.000 -0.198 0.000 0.836 356 D CB -0.238 40.449 40.800 -0.189 0.000 0.951 356 D HN 0.237 nan 8.370 nan 0.000 0.449 357 R N 0.124 120.374 120.500 -0.416 0.000 2.073 357 R HA -0.053 4.287 4.340 0.000 0.000 0.234 357 R C 2.369 178.307 176.300 -0.604 0.000 1.134 357 R CA 0.658 56.335 56.100 -0.705 0.000 0.952 357 R CB -0.523 28.994 30.300 -1.307 0.000 0.850 357 R HN 0.075 nan 8.270 nan 0.000 0.433 358 V N 0.342 119.992 119.914 -0.440 0.000 2.287 358 V HA -0.240 3.880 4.120 0.000 0.000 0.248 358 V C 2.252 178.267 176.094 -0.132 0.000 1.053 358 V CA 1.771 63.971 62.300 -0.167 0.000 1.027 358 V CB -0.286 31.488 31.823 -0.082 0.000 0.646 358 V HN 0.154 nan 8.190 nan 0.000 0.447 359 V N 0.705 120.507 119.914 -0.187 0.000 2.358 359 V HA -0.257 3.863 4.120 0.000 0.000 0.246 359 V C 2.353 178.357 176.094 -0.151 0.000 1.047 359 V CA 2.279 64.458 62.300 -0.201 0.000 1.035 359 V CB -0.938 30.736 31.823 -0.248 0.000 0.658 359 V HN 0.711 nan 8.190 nan 0.000 0.452 360 N N 0.157 118.768 118.700 -0.150 0.000 2.120 360 N HA -0.255 4.485 4.740 0.000 0.000 0.188 360 N C 1.755 177.231 175.510 -0.056 0.000 1.024 360 N CA 1.790 54.776 53.050 -0.107 0.000 0.852 360 N CB -0.206 38.207 38.487 -0.124 0.000 1.003 360 N HN 0.439 nan 8.380 nan 0.000 0.424 361 D N 0.836 121.217 120.400 -0.032 0.000 2.178 361 D HA -0.082 4.558 4.640 0.000 0.000 0.201 361 D C 1.892 178.209 176.300 0.028 0.000 0.980 361 D CA 0.567 54.597 54.000 0.051 0.000 0.842 361 D CB 0.008 40.919 40.800 0.185 0.000 0.948 361 D HN 0.367 nan 8.370 nan 0.000 0.472 362 L N -0.743 120.479 121.223 -0.001 0.000 2.591 362 L HA 0.160 4.500 4.340 0.000 0.000 0.228 362 L C 1.416 178.280 176.870 -0.009 0.000 1.133 362 L CA 0.420 55.261 54.840 0.001 0.000 0.880 362 L CB -0.058 42.003 42.059 0.003 0.000 1.033 362 L HN 0.102 nan 8.230 nan 0.000 0.450 363 G N 0.893 109.677 108.800 -0.026 0.000 2.221 363 G HA2 -0.240 3.720 3.960 0.000 0.000 0.265 363 G HA3 -0.240 3.720 3.960 0.000 0.000 0.265 363 G C 0.231 175.113 174.900 -0.030 0.000 1.041 363 G CA -0.039 45.046 45.100 -0.024 0.000 0.807 363 G HN 0.200 nan 8.290 nan 0.000 0.502 364 R N -0.758 119.701 120.500 -0.069 0.000 2.674 364 R HA 0.604 4.944 4.340 0.000 0.000 0.266 364 R C 0.224 176.453 176.300 -0.119 0.000 1.016 364 R CA -1.112 54.929 56.100 -0.098 0.000 1.062 364 R CB 0.941 31.111 30.300 -0.217 0.000 1.142 364 R HN 0.155 nan 8.270 nan 0.000 0.517 365 K N 1.452 121.788 120.400 -0.107 0.000 2.258 365 K HA 0.206 4.526 4.320 0.000 0.000 0.284 365 K C -0.919 175.585 176.600 -0.161 0.000 1.051 365 K CA -0.433 55.795 56.287 -0.098 0.000 0.923 365 K CB 0.356 32.831 32.500 -0.041 0.000 1.046 365 K HN 0.318 nan 8.250 nan 0.000 0.474 366 L N 5.619 126.749 121.223 -0.156 0.000 2.282 366 L HA 0.443 4.783 4.340 0.000 0.000 0.288 366 L C -1.319 175.451 176.870 -0.166 0.000 1.033 366 L CA -0.386 54.342 54.840 -0.186 0.000 0.807 366 L CB 1.509 43.465 42.059 -0.172 0.000 1.209 366 L HN 0.445 nan 8.230 nan 0.000 0.423 367 V N 5.351 125.134 119.914 -0.217 0.000 2.293 367 V HA 0.344 4.464 4.120 0.000 0.000 0.275 367 V C 0.030 176.021 176.094 -0.172 0.000 1.021 367 V CA -0.651 61.530 62.300 -0.197 0.000 0.815 367 V CB 0.942 32.595 31.823 -0.283 0.000 1.025 367 V HN 0.787 nan 8.190 nan 0.000 0.448 368 E N 4.104 124.217 120.200 -0.145 0.000 2.194 368 E HA 0.530 4.880 4.350 0.000 0.000 0.284 368 E C -0.439 176.051 176.600 -0.183 0.000 1.035 368 E CA -0.391 55.920 56.400 -0.148 0.000 0.836 368 E CB 1.554 31.147 29.700 -0.178 0.000 1.070 368 E HN 0.640 nan 8.360 nan 0.000 0.401 369 V N 1.565 121.359 119.914 -0.200 0.000 3.103 369 V HA 0.700 4.820 4.120 0.000 0.000 0.318 369 V C -2.630 173.204 176.094 -0.435 0.000 1.114 369 V CA -2.637 59.439 62.300 -0.372 0.000 1.020 369 V CB 1.318 32.920 31.823 -0.368 0.000 1.085 369 V HN 0.596 nan 8.190 nan 0.000 0.446 370 P HA 0.216 nan 4.420 nan 0.000 0.273 370 P C -0.303 176.872 177.300 -0.210 0.000 1.250 370 P CA -0.246 62.581 63.100 -0.456 0.000 0.793 370 P CB 0.290 31.650 31.700 -0.566 0.000 1.011 371 V N 0.437 120.312 119.914 -0.065 0.000 2.720 371 V HA 0.326 4.446 4.120 0.000 0.000 0.307 371 V C 0.949 177.155 176.094 0.186 0.000 1.071 371 V CA 1.684 64.007 62.300 0.038 0.000 1.199 371 V CB -1.021 30.819 31.823 0.029 0.000 0.900 371 V HN 0.994 nan 8.190 nan 0.000 0.494 372 G N 3.740 112.638 108.800 0.162 0.000 3.239 372 G HA2 -0.103 3.857 3.960 0.000 0.000 0.666 372 G HA3 -0.103 3.857 3.960 0.000 0.000 0.666 372 G C -0.483 174.454 174.900 0.062 0.000 1.313 372 G CA -0.247 44.943 45.100 0.150 0.000 1.001 372 G HN 0.697 nan 8.290 nan 0.000 0.573 373 F N 2.455 122.392 119.950 -0.020 0.000 2.307 373 F HA -0.085 4.442 4.527 -0.000 0.000 0.301 373 F C 2.717 178.458 175.800 -0.099 0.000 1.076 373 F CA 2.268 60.281 58.000 0.021 0.000 1.383 373 F CB 0.182 39.248 39.000 0.110 0.000 1.055 373 F HN 0.692 nan 8.300 nan 0.000 0.526 374 K N -0.943 119.351 120.400 -0.178 0.000 2.218 374 K HA -0.242 4.078 4.320 0.000 0.000 0.205 374 K C 1.623 177.922 176.600 -0.502 0.000 1.046 374 K CA 2.055 58.126 56.287 -0.359 0.000 0.933 374 K CB -1.276 30.908 32.500 -0.527 0.000 0.728 374 K HN 0.424 nan 8.250 nan 0.000 0.454 375 W N -0.136 120.926 121.300 -0.397 0.000 2.699 375 W HA 0.110 4.770 4.660 -0.000 0.000 0.249 375 W C 0.912 177.253 176.519 -0.297 0.000 1.280 375 W CA -0.327 56.789 57.345 -0.382 0.000 1.345 375 W CB 0.004 29.188 29.460 -0.460 0.000 1.128 375 W HN -0.016 nan 8.180 nan 0.000 0.642 376 F N -1.633 118.284 119.950 -0.055 0.000 2.714 376 F HA 0.040 4.567 4.527 0.000 0.000 0.294 376 F C 1.974 177.676 175.800 -0.164 0.000 1.120 376 F CA -0.295 57.676 58.000 -0.048 0.000 1.398 376 F CB -1.217 37.502 39.000 -0.468 0.000 1.120 376 F HN -0.312 nan 8.300 nan 0.000 0.589 377 V N 0.378 120.240 119.914 -0.087 0.000 2.255 377 V HA -0.297 3.823 4.120 0.000 0.000 0.247 377 V C 2.039 178.122 176.094 -0.018 0.000 1.051 377 V CA 2.233 64.515 62.300 -0.030 0.000 1.018 377 V CB -0.460 31.334 31.823 -0.048 0.000 0.641 377 V HN 0.174 nan 8.190 nan 0.000 0.445 378 D N 0.550 120.901 120.400 -0.081 0.000 2.117 378 D HA -0.104 4.536 4.640 0.000 0.000 0.197 378 D C 2.193 178.395 176.300 -0.163 0.000 0.987 378 D CA 1.641 55.590 54.000 -0.085 0.000 0.829 378 D CB -0.650 40.088 40.800 -0.104 0.000 0.961 378 D HN 0.478 nan 8.370 nan 0.000 0.460 379 G N 0.488 109.001 108.800 -0.478 0.000 2.408 379 G HA2 -0.159 3.801 3.960 0.000 0.000 0.217 379 G HA3 -0.159 3.801 3.960 0.000 0.000 0.217 379 G C 1.790 176.488 174.900 -0.336 0.000 1.150 379 G CA 0.166 44.718 45.100 -0.914 0.000 0.776 379 G HN 0.236 nan 8.290 nan 0.000 0.542 380 L N -0.824 120.348 121.223 -0.085 0.000 2.017 380 L HA 0.007 4.347 4.340 0.000 0.000 0.208 380 L C 2.535 179.414 176.870 0.015 0.000 1.073 380 L CA 1.033 55.888 54.840 0.025 0.000 0.745 380 L CB -0.408 41.712 42.059 0.102 0.000 0.894 380 L HN 0.237 nan 8.230 nan 0.000 0.432 381 F N 1.924 121.821 119.950 -0.088 0.000 2.134 381 F HA -0.257 4.270 4.527 0.000 0.000 0.299 381 F C 2.144 177.898 175.800 -0.077 0.000 1.097 381 F CA 1.921 59.879 58.000 -0.070 0.000 1.264 381 F CB -0.196 38.761 39.000 -0.070 0.000 1.001 381 F HN 0.330 nan 8.300 nan 0.000 0.479 382 D N -1.092 119.261 120.400 -0.079 0.000 2.328 382 D HA 0.151 4.791 4.640 0.000 0.000 0.221 382 D C 1.727 177.938 176.300 -0.148 0.000 1.072 382 D CA 0.732 54.643 54.000 -0.149 0.000 0.850 382 D CB -0.399 40.376 40.800 -0.041 0.000 0.922 382 D HN 0.426 nan 8.370 nan 0.000 0.516 383 G N 0.318 109.028 108.800 -0.150 0.000 2.184 383 G HA2 -0.374 3.586 3.960 0.000 0.000 0.264 383 G HA3 -0.374 3.586 3.960 0.000 0.000 0.264 383 G C 1.185 176.029 174.900 -0.093 0.000 0.975 383 G CA 0.889 45.907 45.100 -0.136 0.000 0.642 383 G HN 0.692 nan 8.290 nan 0.000 0.536 384 S N -1.025 114.628 115.700 -0.077 0.000 2.496 384 S HA 0.441 4.911 4.470 0.000 0.000 0.224 384 S C 0.564 175.329 174.600 0.275 0.000 0.996 384 S CA 0.240 58.455 58.200 0.024 0.000 0.927 384 S CB 0.136 63.312 63.200 -0.039 0.000 0.774 384 S HN 0.352 nan 8.310 nan 0.000 0.524 385 F N 2.052 121.986 119.950 -0.027 0.000 2.402 385 F HA 0.665 5.192 4.527 -0.000 0.000 0.355 385 F C 1.420 177.155 175.800 -0.108 0.000 1.123 385 F CA -2.031 55.961 58.000 -0.014 0.000 1.021 385 F CB 0.929 39.935 39.000 0.010 0.000 1.160 385 F HN 0.115 nan 8.300 nan 0.000 0.451 386 G N 2.542 111.403 108.800 0.102 0.000 2.448 386 G HA2 -0.080 3.880 3.960 0.000 0.000 0.218 386 G HA3 -0.080 3.880 3.960 0.000 0.000 0.218 386 G C -0.306 174.579 174.900 -0.025 0.000 1.135 386 G CA 0.615 45.471 45.100 -0.407 0.000 0.784 386 G HN 0.427 nan 8.290 nan 0.000 0.543 387 F N -0.830 119.184 119.950 0.106 0.000 2.650 387 F HA 0.574 5.101 4.527 0.000 0.000 0.310 387 F C -0.661 175.040 175.800 -0.165 0.000 1.112 387 F CA -0.600 57.474 58.000 0.123 0.000 0.986 387 F CB 1.685 40.865 39.000 0.301 0.000 1.285 387 F HN 0.129 nan 8.300 nan 0.000 0.440 388 G N 2.278 110.572 108.800 -0.842 0.000 2.741 388 G HA2 0.588 4.548 3.960 0.000 0.000 0.293 388 G HA3 0.588 4.548 3.960 0.000 0.000 0.293 388 G C -1.533 172.800 174.900 -0.946 0.000 1.457 388 G CA -0.395 43.871 45.100 -1.391 0.000 1.098 388 G HN 1.046 nan 8.290 nan 0.000 0.536 389 G N 0.500 109.011 108.800 -0.481 0.000 2.642 389 G HA2 0.786 4.746 3.960 0.000 0.000 0.293 389 G HA3 0.786 4.746 3.960 0.000 0.000 0.293 389 G C -0.732 174.400 174.900 0.387 0.000 1.341 389 G CA -0.767 44.392 45.100 0.098 0.000 0.916 389 G HN 0.830 nan 8.290 nan 0.000 0.474 390 E N -1.485 118.946 120.200 0.385 0.000 2.320 390 E HA 0.635 4.985 4.350 0.000 0.000 0.264 390 E C 0.704 177.430 176.600 0.209 0.000 0.923 390 E CA -0.308 56.286 56.400 0.323 0.000 0.796 390 E CB 1.521 31.422 29.700 0.335 0.000 1.262 390 E HN 0.456 nan 8.360 nan 0.000 0.428 391 E N 0.531 120.830 120.200 0.165 0.000 2.338 391 E HA -0.112 4.238 4.350 0.000 0.000 0.197 391 E C 1.436 178.082 176.600 0.076 0.000 1.007 391 E CA 1.309 57.776 56.400 0.112 0.000 0.849 391 E CB -0.538 29.224 29.700 0.104 0.000 0.774 391 E HN 0.523 nan 8.360 nan 0.000 0.506 392 S N -1.188 114.560 115.700 0.079 0.000 2.763 392 S HA 0.540 5.010 4.470 0.000 0.000 0.237 392 S C 1.216 175.801 174.600 -0.024 0.000 0.966 392 S CA 0.586 58.808 58.200 0.037 0.000 1.017 392 S CB -0.407 62.819 63.200 0.044 0.000 0.780 392 S HN 1.727 nan 8.310 nan 0.000 0.476 393 A N -0.948 121.848 122.820 -0.040 0.000 3.009 393 A HA 0.072 4.392 4.320 0.000 0.000 0.264 393 A C 0.623 178.042 177.584 -0.274 0.000 1.408 393 A CA 0.400 52.296 52.037 -0.235 0.000 0.789 393 A CB -1.881 16.921 19.000 -0.329 0.000 1.040 393 A HN 1.515 nan 8.150 nan 0.000 0.576 394 G N -1.385 107.413 108.800 -0.005 0.000 2.544 394 G HA2 0.973 4.933 3.960 0.000 0.000 0.313 394 G HA3 0.973 4.933 3.960 0.000 0.000 0.313 394 G C -0.407 174.588 174.900 0.158 0.000 1.316 394 G CA 0.358 45.486 45.100 0.045 0.000 0.944 394 G HN 2.083 nan 8.290 nan 0.000 0.489 395 A N 1.181 124.100 122.820 0.164 0.000 2.599 395 A HA 0.930 5.250 4.320 0.000 0.000 0.290 395 A C -0.670 176.922 177.584 0.013 0.000 1.101 395 A CA -0.400 51.683 52.037 0.077 0.000 0.674 395 A CB 1.684 20.670 19.000 -0.024 0.000 1.277 395 A HN 1.561 nan 8.150 nan 0.000 0.419 396 S N -1.213 114.461 115.700 -0.043 0.000 2.638 396 S HA 0.947 5.417 4.470 0.000 0.000 0.274 396 S C -1.502 173.078 174.600 -0.034 0.000 1.157 396 S CA -0.225 57.967 58.200 -0.012 0.000 0.826 396 S CB 1.157 64.438 63.200 0.135 0.000 1.139 396 S HN 1.795 nan 8.310 nan 0.000 0.474 397 F N -0.058 119.886 119.950 -0.011 0.000 2.711 397 F HA 0.682 5.209 4.527 -0.000 0.000 0.313 397 F C -1.544 174.287 175.800 0.051 0.000 1.141 397 F CA -1.398 56.628 58.000 0.043 0.000 0.941 397 F CB 0.416 39.599 39.000 0.306 0.000 1.349 397 F HN 0.459 nan 8.300 nan 0.000 0.464 398 L N 2.001 123.318 121.223 0.157 0.000 2.466 398 L HA 0.489 4.829 4.340 0.000 0.000 0.257 398 L C 0.719 177.733 176.870 0.241 0.000 1.189 398 L CA -0.855 54.012 54.840 0.044 0.000 0.813 398 L CB 0.609 42.463 42.059 -0.341 0.000 1.118 398 L HN 0.669 nan 8.230 nan 0.000 0.471 399 R N 0.096 120.688 120.500 0.152 0.000 2.863 399 R HA -0.005 4.335 4.340 0.000 0.000 0.273 399 R C 0.940 177.414 176.300 0.289 0.000 1.057 399 R CA -0.153 56.022 56.100 0.125 0.000 1.191 399 R CB 0.140 30.543 30.300 0.172 0.000 1.104 399 R HN 0.363 nan 8.270 nan 0.000 0.519 400 F N 1.232 121.326 119.950 0.239 0.000 2.120 400 F HA -0.228 4.299 4.527 0.000 0.000 0.300 400 F C 2.101 178.062 175.800 0.268 0.000 1.095 400 F CA 2.032 60.140 58.000 0.179 0.000 1.249 400 F CB -0.368 38.660 39.000 0.046 0.000 0.995 400 F HN 0.627 nan 8.300 nan 0.000 0.480 401 D N -0.949 119.692 120.400 0.402 0.000 2.336 401 D HA 0.094 4.734 4.640 0.000 0.000 0.229 401 D C 1.708 178.168 176.300 0.266 0.000 1.061 401 D CA 0.843 55.016 54.000 0.288 0.000 0.875 401 D CB -0.551 40.362 40.800 0.187 0.000 0.904 401 D HN 0.349 nan 8.370 nan 0.000 0.525 402 G N 0.184 109.175 108.800 0.320 0.000 2.143 402 G HA2 -0.250 3.710 3.960 0.000 0.000 0.248 402 G HA3 -0.250 3.710 3.960 0.000 0.000 0.248 402 G C 0.367 175.243 174.900 -0.041 0.000 0.991 402 G CA 0.603 45.722 45.100 0.032 0.000 0.689 402 G HN 0.809 nan 8.290 nan 0.000 0.522 403 T N -1.169 113.398 114.554 0.021 0.000 2.943 403 T HA 0.755 5.105 4.350 0.000 0.000 0.284 403 T C -2.332 172.360 174.700 -0.014 0.000 1.015 403 T CA -1.787 60.294 62.100 -0.032 0.000 1.042 403 T CB 3.066 71.924 68.868 -0.016 0.000 1.055 403 T HN 0.101 nan 8.240 nan 0.000 0.500 404 P HA 0.038 nan 4.420 nan 0.000 0.271 404 P C 0.049 177.398 177.300 0.083 0.000 1.218 404 P CA -0.558 62.541 63.100 -0.002 0.000 0.780 404 P CB 1.050 32.726 31.700 -0.039 0.000 0.901 405 W N 2.666 123.904 121.300 -0.103 0.000 2.780 405 W HA 0.161 4.821 4.660 -0.000 0.000 0.272 405 W C -0.575 175.895 176.519 -0.081 0.000 1.116 405 W CA 0.434 57.703 57.345 -0.128 0.000 1.600 405 W CB 0.439 29.762 29.460 -0.228 0.000 1.086 405 W HN 0.315 nan 8.180 nan 0.000 0.584 406 S N 0.254 115.961 115.700 0.011 0.000 2.619 406 S HA 0.287 4.757 4.470 0.000 0.000 0.280 406 S C 0.226 174.879 174.600 0.088 0.000 1.150 406 S CA 0.005 58.179 58.200 -0.042 0.000 0.978 406 S CB 1.477 64.703 63.200 0.043 0.000 1.041 406 S HN 0.136 nan 8.310 nan 0.000 0.485 407 T N 0.310 114.921 114.554 0.095 0.000 3.086 407 T HA 0.236 4.586 4.350 0.000 0.000 0.250 407 T C 0.320 175.193 174.700 0.288 0.000 1.074 407 T CA -0.082 62.135 62.100 0.194 0.000 0.988 407 T CB -0.075 68.895 68.868 0.170 0.000 0.988 407 T HN 0.493 nan 8.240 nan 0.000 0.530 408 D N 1.240 121.721 120.400 0.136 0.000 2.440 408 D HA 0.346 4.986 4.640 0.000 0.000 0.258 408 D C -0.245 175.945 176.300 -0.183 0.000 1.092 408 D CA -0.741 53.264 54.000 0.007 0.000 1.016 408 D CB 1.446 42.202 40.800 -0.073 0.000 1.141 408 D HN 0.095 nan 8.370 nan 0.000 0.552 409 K N 0.752 120.806 120.400 -0.576 0.000 2.382 409 K HA 0.107 4.427 4.320 0.000 0.000 0.275 409 K C -0.354 176.154 176.600 -0.154 0.000 1.009 409 K CA 0.092 56.081 56.287 -0.497 0.000 0.970 409 K CB 0.500 32.644 32.500 -0.594 0.000 0.934 409 K HN 0.236 nan 8.250 nan 0.000 0.479 410 D N 1.707 122.086 120.400 -0.035 0.000 2.473 410 D HA 0.185 4.825 4.640 0.000 0.000 0.253 410 D C 0.638 176.995 176.300 0.095 0.000 1.233 410 D CA -0.470 53.568 54.000 0.064 0.000 0.908 410 D CB 1.544 42.434 40.800 0.150 0.000 1.170 410 D HN 0.613 nan 8.370 nan 0.000 0.558 411 G N 3.115 111.978 108.800 0.104 0.000 2.421 411 G HA2 -0.119 3.841 3.960 0.000 0.000 0.217 411 G HA3 -0.119 3.841 3.960 0.000 0.000 0.217 411 G C 1.599 176.574 174.900 0.124 0.000 1.143 411 G CA 0.350 45.537 45.100 0.145 0.000 0.784 411 G HN 0.582 nan 8.290 nan 0.000 0.541 412 I N 1.469 122.101 120.570 0.102 0.000 2.233 412 I HA -0.092 4.078 4.170 0.000 0.000 0.243 412 I C 2.746 178.876 176.117 0.022 0.000 1.093 412 I CA 1.027 62.347 61.300 0.034 0.000 1.380 412 I CB -0.254 37.734 38.000 -0.020 0.000 1.067 412 I HN 0.290 nan 8.210 nan 0.000 0.413 413 I N -1.361 119.208 120.570 -0.002 0.000 2.361 413 I HA -0.251 3.919 4.170 0.000 0.000 0.251 413 I C 2.380 178.544 176.117 0.080 0.000 1.133 413 I CA 1.450 62.685 61.300 -0.109 0.000 1.413 413 I CB -0.393 37.325 38.000 -0.470 0.000 1.073 413 I HN 0.139 nan 8.210 nan 0.000 0.424 414 M N 0.696 120.332 119.600 0.061 0.000 2.254 414 M HA -0.087 4.393 4.480 0.000 0.000 0.265 414 M C 2.399 178.676 176.300 -0.039 0.000 1.066 414 M CA 1.230 56.536 55.300 0.009 0.000 1.123 414 M CB -1.306 30.986 32.600 -0.514 0.000 1.388 414 M HN 0.475 nan 8.290 nan 0.000 0.425 415 C N 0.166 119.399 119.300 -0.112 0.000 2.476 415 C HA -0.038 4.422 4.460 0.000 0.000 0.278 415 C C 2.862 177.538 174.990 -0.523 0.000 1.274 415 C CA 0.367 59.136 59.018 -0.416 0.000 1.713 415 C CB -1.010 26.427 27.740 -0.506 0.000 2.039 415 C HN 0.470 nan 8.230 nan 0.000 0.484 416 L N 0.397 121.484 121.223 -0.225 0.000 2.141 416 L HA -0.126 4.214 4.340 0.000 0.000 0.209 416 L C 2.450 179.286 176.870 -0.057 0.000 1.094 416 L CA 0.726 55.496 54.840 -0.118 0.000 0.763 416 L CB -0.571 41.470 42.059 -0.029 0.000 0.908 416 L HN 0.323 nan 8.230 nan 0.000 0.437 417 L N 0.272 121.495 121.223 0.000 0.000 2.079 417 L HA -0.170 4.170 4.340 0.000 0.000 0.210 417 L C 2.618 179.446 176.870 -0.071 0.000 1.081 417 L CA 1.971 56.797 54.840 -0.024 0.000 0.752 417 L CB -0.690 41.375 42.059 0.009 0.000 0.896 417 L HN 0.156 nan 8.230 nan 0.000 0.433 418 A N -0.583 122.254 122.820 0.028 0.000 1.933 418 A HA -0.112 4.208 4.320 0.000 0.000 0.218 418 A C 2.443 180.033 177.584 0.010 0.000 1.175 418 A CA 1.811 53.869 52.037 0.035 0.000 0.628 418 A CB -1.067 17.921 19.000 -0.021 0.000 0.814 418 A HN 0.577 nan 8.150 nan 0.000 0.444 419 A N -0.387 122.465 122.820 0.053 0.000 1.897 419 A HA -0.127 4.193 4.320 0.000 0.000 0.215 419 A C 2.032 179.604 177.584 -0.020 0.000 1.181 419 A CA 1.669 53.757 52.037 0.085 0.000 0.620 419 A CB -0.512 18.601 19.000 0.188 0.000 0.821 419 A HN 0.680 nan 8.150 nan 0.000 0.443 420 E N 0.035 120.186 120.200 -0.082 0.000 2.058 420 E HA -0.197 4.153 4.350 0.000 0.000 0.194 420 E C 1.868 178.281 176.600 -0.312 0.000 0.997 420 E CA 1.440 57.758 56.400 -0.137 0.000 0.801 420 E CB -0.275 29.352 29.700 -0.123 0.000 0.746 420 E HN 0.637 nan 8.360 nan 0.000 0.450 421 I N 0.916 121.156 120.570 -0.550 0.000 2.127 421 I HA -0.309 3.861 4.170 0.000 0.000 0.241 421 I C 2.524 178.478 176.117 -0.272 0.000 1.075 421 I CA 1.781 62.611 61.300 -0.783 0.000 1.334 421 I CB -0.525 37.028 38.000 -0.746 0.000 1.040 421 I HN 0.212 nan 8.210 nan 0.000 0.405 422 T N 0.705 115.192 114.554 -0.111 0.000 2.720 422 T HA -0.203 4.147 4.350 0.000 0.000 0.268 422 T C 1.998 176.704 174.700 0.009 0.000 1.037 422 T CA 1.557 63.659 62.100 0.004 0.000 1.144 422 T CB -0.403 68.481 68.868 0.027 0.000 0.864 422 T HN 0.504 nan 8.240 nan 0.000 0.444 423 A N 0.747 123.561 122.820 -0.011 0.000 1.897 423 A HA 0.026 4.346 4.320 0.000 0.000 0.215 423 A C 2.590 180.191 177.584 0.027 0.000 1.181 423 A CA 1.116 53.162 52.037 0.015 0.000 0.620 423 A CB -0.843 18.168 19.000 0.018 0.000 0.821 423 A HN 0.354 nan 8.150 nan 0.000 0.443 424 V N 0.267 120.190 119.914 0.015 0.000 2.453 424 V HA -0.152 3.968 4.120 0.000 0.000 0.247 424 V C 2.786 178.946 176.094 0.109 0.000 1.048 424 V CA 2.304 64.648 62.300 0.072 0.000 1.049 424 V CB -0.774 31.117 31.823 0.113 0.000 0.672 424 V HN 0.838 nan 8.190 nan 0.000 0.457 425 T N -3.606 111.013 114.554 0.109 0.000 3.014 425 T HA 0.302 4.652 4.350 0.000 0.000 0.250 425 T C 1.595 176.367 174.700 0.120 0.000 1.060 425 T CA 0.959 63.164 62.100 0.175 0.000 1.040 425 T CB 0.776 69.844 68.868 0.333 0.000 0.971 425 T HN 0.899 nan 8.240 nan 0.000 0.497 426 G N 1.519 110.370 108.800 0.085 0.000 2.168 426 G HA2 -0.243 3.717 3.960 0.000 0.000 0.263 426 G HA3 -0.243 3.717 3.960 0.000 0.000 0.263 426 G C -0.142 174.781 174.900 0.038 0.000 0.977 426 G CA 0.404 45.535 45.100 0.052 0.000 0.659 426 G HN 0.710 nan 8.290 nan 0.000 0.533 427 K N 0.496 120.935 120.400 0.065 0.000 2.443 427 K HA 0.421 4.741 4.320 0.000 0.000 0.252 427 K C 0.071 176.749 176.600 0.129 0.000 0.933 427 K CA -0.688 55.601 56.287 0.003 0.000 0.792 427 K CB 1.412 33.756 32.500 -0.260 0.000 1.185 427 K HN 0.327 nan 8.250 nan 0.000 0.425 428 N N 1.761 120.520 118.700 0.098 0.000 2.354 428 N HA 0.133 4.873 4.740 0.000 0.000 0.246 428 N C -2.170 173.492 175.510 0.254 0.000 1.285 428 N CA -1.324 51.809 53.050 0.138 0.000 0.925 428 N CB 0.155 38.688 38.487 0.076 0.000 1.174 428 N HN 0.112 nan 8.380 nan 0.000 0.478 429 P HA -0.142 nan 4.420 nan 0.000 0.218 429 P C 1.202 178.686 177.300 0.308 0.000 1.149 429 P CA 1.287 64.561 63.100 0.289 0.000 0.817 429 P CB 0.160 32.014 31.700 0.257 0.000 0.785 430 Q N 0.607 120.533 119.800 0.210 0.000 2.079 430 Q HA -0.167 4.173 4.340 0.000 0.000 0.200 430 Q C 1.995 178.116 176.000 0.201 0.000 0.974 430 Q CA 1.709 57.636 55.803 0.207 0.000 0.840 430 Q CB -0.875 27.940 28.738 0.128 0.000 0.898 430 Q HN 0.265 nan 8.270 nan 0.000 0.430 431 E N -0.715 119.562 120.200 0.128 0.000 2.085 431 E HA -0.228 4.122 4.350 0.000 0.000 0.194 431 E C 2.026 178.630 176.600 0.007 0.000 0.994 431 E CA 1.192 57.615 56.400 0.037 0.000 0.801 431 E CB -0.274 29.403 29.700 -0.039 0.000 0.743 431 E HN 0.586 nan 8.360 nan 0.000 0.453 432 H N -0.722 118.418 119.070 0.116 0.000 2.353 432 H HA -0.147 4.409 4.556 -0.000 0.000 0.300 432 H C 2.004 177.409 175.328 0.128 0.000 1.090 432 H CA 1.395 57.512 56.048 0.115 0.000 1.327 432 H CB -0.276 29.564 29.762 0.129 0.000 1.383 432 H HN 0.257 nan 8.280 nan 0.000 0.508 433 Y N 2.372 122.788 120.300 0.193 0.000 2.224 433 Y HA -0.206 4.344 4.550 0.000 0.000 0.289 433 Y C 2.130 178.069 175.900 0.065 0.000 1.146 433 Y CA 1.109 59.283 58.100 0.124 0.000 1.182 433 Y CB -0.145 38.384 38.460 0.114 0.000 0.983 433 Y HN 0.108 nan 8.280 nan 0.000 0.524 434 N N 0.658 119.435 118.700 0.129 0.000 2.094 434 N HA -0.206 4.534 4.740 0.000 0.000 0.191 434 N C 1.623 177.094 175.510 -0.065 0.000 1.023 434 N CA 1.975 55.044 53.050 0.031 0.000 0.857 434 N CB -0.419 38.099 38.487 0.052 0.000 1.013 434 N HN 0.586 nan 8.380 nan 0.000 0.426 435 E N 0.447 120.613 120.200 -0.056 0.000 2.106 435 E HA -0.037 4.313 4.350 0.000 0.000 0.192 435 E C 2.078 178.611 176.600 -0.112 0.000 0.984 435 E CA 0.418 56.773 56.400 -0.074 0.000 0.806 435 E CB -0.073 29.597 29.700 -0.051 0.000 0.750 435 E HN 0.311 nan 8.360 nan 0.000 0.458 436 L N 0.663 121.809 121.223 -0.129 0.000 2.046 436 L HA -0.171 4.169 4.340 0.000 0.000 0.208 436 L C 2.642 179.426 176.870 -0.144 0.000 1.077 436 L CA 0.987 55.764 54.840 -0.104 0.000 0.747 436 L CB -0.537 41.431 42.059 -0.151 0.000 0.896 436 L HN 0.148 nan 8.230 nan 0.000 0.432 437 A N 0.132 122.755 122.820 -0.329 0.000 1.940 437 A HA -0.204 4.116 4.320 0.000 0.000 0.219 437 A C 2.522 180.057 177.584 -0.083 0.000 1.176 437 A CA 1.828 53.747 52.037 -0.197 0.000 0.631 437 A CB -0.662 18.221 19.000 -0.195 0.000 0.814 437 A HN 0.424 nan 8.150 nan 0.000 0.446 438 A N -0.695 122.060 122.820 -0.108 0.000 1.933 438 A HA -0.140 4.180 4.320 0.000 0.000 0.218 438 A C 2.251 179.745 177.584 -0.150 0.000 1.175 438 A CA 1.701 53.680 52.037 -0.097 0.000 0.628 438 A CB -0.411 18.534 19.000 -0.091 0.000 0.814 438 A HN 0.530 nan 8.150 nan 0.000 0.444 439 R N -2.235 118.101 120.500 -0.274 0.000 2.073 439 R HA -0.012 4.328 4.340 0.000 0.000 0.229 439 R C 0.821 176.768 176.300 -0.587 0.000 1.120 439 R CA 1.619 57.386 56.100 -0.554 0.000 0.967 439 R CB -0.117 29.632 30.300 -0.919 0.000 0.862 439 R HN 0.530 nan 8.270 nan 0.000 0.436 440 F N -1.128 118.844 119.950 0.037 0.000 2.728 440 F HA 0.407 4.934 4.527 0.000 0.000 0.314 440 F C 0.650 176.598 175.800 0.247 0.000 1.094 440 F CA 0.385 58.452 58.000 0.111 0.000 1.217 440 F CB 1.107 40.195 39.000 0.146 0.000 1.056 440 F HN 0.151 nan 8.300 nan 0.000 0.577 441 G N 0.965 109.929 108.800 0.272 0.000 2.690 441 G HA2 0.236 4.196 3.960 0.000 0.000 0.686 441 G HA3 0.236 4.196 3.960 0.000 0.000 0.686 441 G C -0.658 174.307 174.900 0.110 0.000 1.277 441 G CA -0.806 44.419 45.100 0.209 0.000 0.799 441 G HN 0.594 nan 8.290 nan 0.000 0.613 442 A N 2.974 125.789 122.820 -0.008 0.000 2.294 442 A HA 0.799 5.119 4.320 0.000 0.000 0.316 442 A C -1.044 176.416 177.584 -0.207 0.000 1.359 442 A CA -0.840 51.151 52.037 -0.077 0.000 0.956 442 A CB 0.377 19.384 19.000 0.011 0.000 1.155 442 A HN 0.800 nan 8.150 nan 0.000 0.544 443 P HA 0.188 nan 4.420 nan 0.000 0.274 443 P C -0.232 176.984 177.300 -0.141 0.000 1.231 443 P CA -0.113 62.630 63.100 -0.594 0.000 0.790 443 P CB 1.295 32.387 31.700 -1.014 0.000 0.951 444 S N 1.741 117.399 115.700 -0.070 0.000 2.498 444 S HA 0.453 4.923 4.470 0.000 0.000 0.317 444 S C -1.487 173.146 174.600 0.056 0.000 1.090 444 S CA -0.584 57.634 58.200 0.030 0.000 1.089 444 S CB -0.116 63.093 63.200 0.016 0.000 0.997 444 S HN 0.428 nan 8.310 nan 0.000 0.470 445 Y N 4.788 125.078 120.300 -0.017 0.000 2.409 445 Y HA 0.683 5.233 4.550 -0.000 0.000 0.343 445 Y C -0.363 175.525 175.900 -0.019 0.000 0.973 445 Y CA -0.526 57.562 58.100 -0.020 0.000 1.064 445 Y CB 1.584 40.082 38.460 0.064 0.000 1.207 445 Y HN 0.798 nan 8.280 nan 0.000 0.452 446 N N 2.227 120.795 118.700 -0.221 0.000 2.708 446 N HA 0.712 5.452 4.740 0.000 0.000 0.257 446 N C -1.747 173.644 175.510 -0.198 0.000 1.373 446 N CA -0.440 52.563 53.050 -0.078 0.000 0.843 446 N CB 1.574 40.010 38.487 -0.086 0.000 1.503 446 N HN 0.882 nan 8.380 nan 0.000 0.504 447 R N 0.981 121.425 120.500 -0.094 0.000 2.534 447 R HA 0.808 5.148 4.340 0.000 0.000 0.301 447 R C -1.104 175.081 176.300 -0.192 0.000 0.961 447 R CA -0.524 55.457 56.100 -0.199 0.000 0.871 447 R CB 0.091 30.304 30.300 -0.146 0.000 1.170 447 R HN 0.560 nan 8.270 nan 0.000 0.446 448 L N 0.836 121.917 121.223 -0.237 0.000 2.323 448 L HA 0.732 5.072 4.340 0.000 0.000 0.265 448 L C -0.059 176.649 176.870 -0.271 0.000 1.012 448 L CA -1.152 53.566 54.840 -0.203 0.000 0.820 448 L CB 2.456 44.417 42.059 -0.163 0.000 1.334 448 L HN 0.844 nan 8.230 nan 0.000 0.427 449 Q N 0.987 120.612 119.800 -0.292 0.000 2.340 449 Q HA 0.805 5.145 4.340 0.000 0.000 0.276 449 Q C -2.075 173.649 176.000 -0.460 0.000 1.048 449 Q CA -0.541 55.012 55.803 -0.416 0.000 0.832 449 Q CB 2.960 31.533 28.738 -0.275 0.000 1.373 449 Q HN 0.818 nan 8.270 nan 0.000 0.409 450 A N 1.629 124.001 122.820 -0.747 0.000 2.606 450 A HA 0.660 4.980 4.320 0.000 0.000 0.293 450 A C -0.932 176.478 177.584 -0.290 0.000 1.082 450 A CA -0.366 51.404 52.037 -0.444 0.000 0.685 450 A CB 1.837 20.672 19.000 -0.276 0.000 1.284 450 A HN 0.646 nan 8.150 nan 0.000 0.408 451 S N -0.233 115.429 115.700 -0.063 0.000 2.558 451 S HA 0.479 4.949 4.470 0.000 0.000 0.287 451 S C 0.163 174.850 174.600 0.145 0.000 1.321 451 S CA 0.618 58.832 58.200 0.024 0.000 1.048 451 S CB 0.180 63.396 63.200 0.027 0.000 0.844 451 S HN 2.292 nan 8.310 nan 0.000 0.512 452 A N 3.133 126.030 122.820 0.129 0.000 2.488 452 A HA 0.594 4.914 4.320 0.000 0.000 0.295 452 A C 0.077 177.714 177.584 0.087 0.000 1.045 452 A CA -0.386 51.742 52.037 0.152 0.000 0.703 452 A CB 1.007 20.146 19.000 0.231 0.000 1.271 452 A HN 1.161 nan 8.150 nan 0.000 0.400 453 T N 0.091 114.684 114.554 0.065 0.000 2.903 453 T HA 0.208 4.558 4.350 0.000 0.000 0.314 453 T C 1.357 176.085 174.700 0.047 0.000 1.078 453 T CA 0.753 62.880 62.100 0.046 0.000 1.114 453 T CB 0.907 69.795 68.868 0.033 0.000 0.987 453 T HN 1.075 nan 8.240 nan 0.000 0.548 454 S N 1.911 117.634 115.700 0.039 0.000 2.402 454 S HA -0.161 4.309 4.470 0.000 0.000 0.233 454 S C 2.249 176.871 174.600 0.036 0.000 1.030 454 S CA 1.481 59.705 58.200 0.039 0.000 1.003 454 S CB -1.059 62.160 63.200 0.032 0.000 0.813 454 S HN 0.937 nan 8.310 nan 0.000 0.477 455 A N 0.319 123.157 122.820 0.030 0.000 1.897 455 A HA -0.057 4.263 4.320 0.000 0.000 0.215 455 A C 2.067 179.665 177.584 0.024 0.000 1.181 455 A CA 1.364 53.415 52.037 0.025 0.000 0.620 455 A CB -0.624 18.387 19.000 0.019 0.000 0.821 455 A HN 0.628 nan 8.150 nan 0.000 0.443 456 Q N 0.011 119.827 119.800 0.026 0.000 2.079 456 Q HA -0.149 4.191 4.340 0.000 0.000 0.200 456 Q C 1.978 177.997 176.000 0.032 0.000 0.974 456 Q CA 1.678 57.493 55.803 0.020 0.000 0.840 456 Q CB -0.158 28.590 28.738 0.018 0.000 0.898 456 Q HN 0.658 nan 8.270 nan 0.000 0.430 457 K N 0.341 120.773 120.400 0.054 0.000 2.097 457 K HA -0.099 4.221 4.320 0.000 0.000 0.206 457 K C 2.129 178.762 176.600 0.055 0.000 1.049 457 K CA 1.154 57.483 56.287 0.070 0.000 0.933 457 K CB -0.222 32.326 32.500 0.080 0.000 0.717 457 K HN 0.126 nan 8.250 nan 0.000 0.442 458 A N 2.117 124.962 122.820 0.043 0.000 1.877 458 A HA -0.109 4.211 4.320 0.000 0.000 0.216 458 A C 2.523 180.125 177.584 0.030 0.000 1.186 458 A CA 1.853 53.911 52.037 0.036 0.000 0.620 458 A CB -0.797 18.221 19.000 0.030 0.000 0.822 458 A HN 0.330 nan 8.150 nan 0.000 0.443 459 A N -0.450 122.384 122.820 0.023 0.000 1.883 459 A HA -0.126 4.194 4.320 0.000 0.000 0.217 459 A C 2.104 179.700 177.584 0.019 0.000 1.186 459 A CA 1.882 53.928 52.037 0.016 0.000 0.624 459 A CB -0.777 18.227 19.000 0.006 0.000 0.822 459 A HN 0.741 nan 8.150 nan 0.000 0.444 460 L N 0.940 122.177 121.223 0.023 0.000 2.129 460 L HA -0.175 4.165 4.340 0.000 0.000 0.212 460 L C 2.547 179.443 176.870 0.044 0.000 1.087 460 L CA 2.764 57.623 54.840 0.032 0.000 0.757 460 L CB -0.565 41.523 42.059 0.047 0.000 0.896 460 L HN 0.543 nan 8.230 nan 0.000 0.434 461 S N -2.201 113.526 115.700 0.045 0.000 2.548 461 S HA 0.127 4.597 4.470 0.000 0.000 0.215 461 S C 1.465 176.084 174.600 0.030 0.000 0.976 461 S CA 0.416 58.642 58.200 0.044 0.000 0.908 461 S CB -0.342 62.889 63.200 0.051 0.000 0.781 461 S HN 0.445 nan 8.310 nan 0.000 0.519 462 K N 1.105 121.520 120.400 0.025 0.000 2.593 462 K HA 0.623 4.943 4.320 0.000 0.000 0.208 462 K C 0.160 176.768 176.600 0.012 0.000 1.051 462 K CA -0.348 55.950 56.287 0.018 0.000 1.111 462 K CB -0.605 31.905 32.500 0.017 0.000 0.849 462 K HN 0.521 nan 8.250 nan 0.000 0.479 463 L N 1.143 122.374 121.223 0.013 0.000 2.456 463 L HA 0.505 4.846 4.340 0.000 0.000 0.257 463 L C 0.877 177.748 176.870 0.002 0.000 1.162 463 L CA -0.671 54.174 54.840 0.009 0.000 0.808 463 L CB 1.715 43.783 42.059 0.014 0.000 1.136 463 L HN 0.433 nan 8.230 nan 0.000 0.466 464 S N -0.817 114.883 115.700 -0.000 0.000 2.570 464 S HA 0.493 4.963 4.470 0.000 0.000 0.286 464 S C -2.316 172.279 174.600 -0.007 0.000 1.099 464 S CA -1.316 56.880 58.200 -0.006 0.000 0.913 464 S CB 2.054 65.251 63.200 -0.005 0.000 1.085 464 S HN 0.296 nan 8.310 nan 0.000 0.480 465 P HA -0.006 nan 4.420 nan 0.000 0.216 465 P C 1.689 178.985 177.300 -0.007 0.000 1.150 465 P CA 2.263 65.353 63.100 -0.016 0.000 0.843 465 P CB -0.241 31.445 31.700 -0.024 0.000 0.787 466 E N -0.482 119.715 120.200 -0.005 0.000 2.333 466 E HA -0.158 4.192 4.350 0.000 0.000 0.198 466 E C 1.690 178.293 176.600 0.004 0.000 1.007 466 E CA 1.260 57.660 56.400 -0.001 0.000 0.845 466 E CB -1.512 28.187 29.700 -0.002 0.000 0.766 466 E HN 0.317 nan 8.360 nan 0.000 0.507 467 M N -0.137 119.466 119.600 0.005 0.000 2.492 467 M HA 0.075 4.555 4.480 0.000 0.000 0.262 467 M C 0.459 176.769 176.300 0.017 0.000 1.090 467 M CA 0.382 55.688 55.300 0.009 0.000 1.110 467 M CB 0.559 33.164 32.600 0.009 0.000 1.407 467 M HN 0.084 nan 8.290 nan 0.000 0.470 468 V N 1.847 121.773 119.914 0.020 0.000 2.322 468 V HA 0.040 4.160 4.120 0.000 0.000 0.258 468 V C 1.228 177.338 176.094 0.027 0.000 1.074 468 V CA 0.032 62.352 62.300 0.034 0.000 0.909 468 V CB 0.536 32.384 31.823 0.041 0.000 1.090 468 V HN 0.416 nan 8.190 nan 0.000 0.486 469 S N 3.524 119.240 115.700 0.026 0.000 2.527 469 S HA 0.187 4.657 4.470 0.000 0.000 0.222 469 S C 1.095 175.710 174.600 0.025 0.000 0.985 469 S CA 0.338 58.551 58.200 0.021 0.000 0.921 469 S CB 0.086 63.296 63.200 0.016 0.000 0.772 469 S HN 0.869 nan 8.310 nan 0.000 0.529 470 A N 1.887 124.729 122.820 0.037 0.000 2.483 470 A HA 0.492 4.812 4.320 0.000 0.000 0.238 470 A C 1.218 178.825 177.584 0.039 0.000 1.070 470 A CA 0.172 52.234 52.037 0.042 0.000 0.770 470 A CB 0.205 19.243 19.000 0.063 0.000 1.008 470 A HN 0.719 nan 8.150 nan 0.000 0.497 471 S N -0.233 115.488 115.700 0.036 0.000 2.559 471 S HA 0.242 4.712 4.470 0.000 0.000 0.226 471 S C 0.579 175.203 174.600 0.040 0.000 1.030 471 S CA 0.560 58.779 58.200 0.032 0.000 0.956 471 S CB -0.291 62.923 63.200 0.024 0.000 0.900 471 S HN 1.416 nan 8.310 nan 0.000 0.510 472 T N 0.187 114.770 114.554 0.048 0.000 2.916 472 T HA 0.758 5.108 4.350 0.000 0.000 0.292 472 T C -1.311 173.434 174.700 0.075 0.000 1.055 472 T CA -0.801 61.334 62.100 0.059 0.000 1.009 472 T CB 1.876 70.776 68.868 0.053 0.000 1.118 472 T HN 0.188 nan 8.240 nan 0.000 0.497 473 L N 2.351 123.628 121.223 0.090 0.000 2.404 473 L HA 0.709 5.049 4.340 0.000 0.000 0.272 473 L C 0.518 177.437 176.870 0.081 0.000 0.980 473 L CA 0.415 55.316 54.840 0.101 0.000 0.836 473 L CB 0.956 43.106 42.059 0.151 0.000 1.238 473 L HN 1.460 nan 8.230 nan 0.000 0.408 474 A N 3.966 126.802 122.820 0.027 0.000 2.640 474 A HA 0.139 4.459 4.320 0.000 0.000 0.300 474 A C 1.540 179.208 177.584 0.140 0.000 1.499 474 A CA 1.528 53.560 52.037 -0.008 0.000 0.759 474 A CB -2.138 16.688 19.000 -0.290 0.000 1.048 474 A HN 2.559 nan 8.150 nan 0.000 0.450 475 G N -1.810 107.055 108.800 0.107 0.000 2.176 475 G HA2 -0.191 3.769 3.960 0.000 0.000 0.253 475 G HA3 -0.191 3.769 3.960 0.000 0.000 0.253 475 G C -0.240 174.724 174.900 0.106 0.000 0.979 475 G CA 0.587 45.752 45.100 0.107 0.000 0.641 475 G HN 1.069 nan 8.290 nan 0.000 0.530 476 D N 0.868 121.343 120.400 0.125 0.000 2.342 476 D HA 0.506 5.146 4.640 0.000 0.000 0.243 476 D C -2.663 173.685 176.300 0.080 0.000 1.019 476 D CA -1.418 52.643 54.000 0.101 0.000 0.864 476 D CB 1.913 42.791 40.800 0.129 0.000 1.315 476 D HN -0.027 nan 8.370 nan 0.000 0.468 477 P HA 0.106 nan 4.420 nan 0.000 0.265 477 P C 0.049 177.379 177.300 0.050 0.000 1.193 477 P CA 0.030 63.158 63.100 0.047 0.000 0.765 477 P CB 0.564 32.283 31.700 0.033 0.000 0.823 478 I N 2.711 123.309 120.570 0.046 0.000 2.533 478 I HA -0.017 4.153 4.170 0.000 0.000 0.284 478 I C 1.615 177.744 176.117 0.021 0.000 1.109 478 I CA 0.606 61.930 61.300 0.040 0.000 1.412 478 I CB 0.585 38.607 38.000 0.036 0.000 1.396 478 I HN 0.462 nan 8.210 nan 0.000 0.543 479 T N 1.960 116.524 114.554 0.016 0.000 3.014 479 T HA 0.490 4.840 4.350 0.000 0.000 0.250 479 T C 0.344 175.033 174.700 -0.017 0.000 1.060 479 T CA -0.011 62.089 62.100 -0.000 0.000 1.040 479 T CB 0.455 69.323 68.868 -0.001 0.000 0.971 479 T HN 0.634 nan 8.240 nan 0.000 0.497 480 A N 0.879 123.685 122.820 -0.023 0.000 2.540 480 A HA 0.754 5.074 4.320 0.000 0.000 0.297 480 A C -1.148 176.403 177.584 -0.056 0.000 1.056 480 A CA -1.068 50.942 52.037 -0.044 0.000 0.700 480 A CB 1.298 20.260 19.000 -0.063 0.000 1.280 480 A HN 0.264 nan 8.150 nan 0.000 0.398 481 R N 1.587 122.053 120.500 -0.056 0.000 2.371 481 R HA 0.585 4.925 4.340 0.000 0.000 0.312 481 R C -1.411 174.847 176.300 -0.070 0.000 0.980 481 R CA -0.245 55.816 56.100 -0.065 0.000 0.867 481 R CB 1.260 31.538 30.300 -0.037 0.000 1.163 481 R HN 0.646 nan 8.270 nan 0.000 0.492 482 L N 1.938 123.105 121.223 -0.093 0.000 2.322 482 L HA 0.480 4.820 4.340 0.000 0.000 0.281 482 L C 1.042 177.864 176.870 -0.080 0.000 1.014 482 L CA -0.472 54.313 54.840 -0.092 0.000 0.815 482 L CB 2.190 44.178 42.059 -0.119 0.000 1.247 482 L HN 0.669 nan 8.230 nan 0.000 0.421 483 T N -2.023 112.491 114.554 -0.067 0.000 3.043 483 T HA 0.519 4.869 4.350 0.000 0.000 0.272 483 T C 0.226 174.884 174.700 -0.071 0.000 0.990 483 T CA 0.019 62.087 62.100 -0.054 0.000 0.897 483 T CB 0.684 69.533 68.868 -0.033 0.000 1.111 483 T HN 0.530 nan 8.240 nan 0.000 0.529 484 A N 0.947 123.711 122.820 -0.093 0.000 2.435 484 A HA 0.908 5.228 4.320 0.000 0.000 0.304 484 A C -0.038 177.451 177.584 -0.159 0.000 1.064 484 A CA -0.738 51.225 52.037 -0.124 0.000 0.727 484 A CB 1.192 20.129 19.000 -0.104 0.000 1.284 484 A HN 0.672 nan 8.150 nan 0.000 0.415 485 A N 2.592 125.279 122.820 -0.220 0.000 2.492 485 A HA 0.540 4.860 4.320 0.000 0.000 0.254 485 A C -1.545 175.924 177.584 -0.191 0.000 1.091 485 A CA -0.979 50.913 52.037 -0.242 0.000 0.768 485 A CB -0.261 18.528 19.000 -0.352 0.000 1.028 485 A HN 0.529 nan 8.150 nan 0.000 0.498 486 P HA -0.064 nan 4.420 nan 0.000 0.221 486 P C 1.520 178.754 177.300 -0.110 0.000 1.150 486 P CA 1.662 64.686 63.100 -0.126 0.000 0.800 486 P CB 0.125 31.751 31.700 -0.123 0.000 0.787 487 G N 0.662 109.387 108.800 -0.125 0.000 2.408 487 G HA2 -0.181 3.779 3.960 0.000 0.000 0.215 487 G HA3 -0.181 3.779 3.960 0.000 0.000 0.215 487 G C 1.174 176.048 174.900 -0.044 0.000 1.156 487 G CA 0.776 45.824 45.100 -0.085 0.000 0.793 487 G HN 0.408 nan 8.290 nan 0.000 0.535 488 N N -1.791 116.852 118.700 -0.095 0.000 2.118 488 N HA 0.185 4.925 4.740 0.000 0.000 0.226 488 N C 1.401 176.847 175.510 -0.106 0.000 1.305 488 N CA 0.771 53.782 53.050 -0.064 0.000 0.890 488 N CB -0.048 38.410 38.487 -0.049 0.000 1.118 488 N HN 0.460 nan 8.380 nan 0.000 0.511 489 G N -0.027 108.690 108.800 -0.138 0.000 2.189 489 G HA2 -0.238 3.722 3.960 0.000 0.000 0.267 489 G HA3 -0.238 3.722 3.960 0.000 0.000 0.267 489 G C 0.395 175.200 174.900 -0.158 0.000 0.975 489 G CA 0.432 45.458 45.100 -0.123 0.000 0.644 489 G HN 0.899 nan 8.290 nan 0.000 0.537 490 A N 0.225 122.878 122.820 -0.279 0.000 2.477 490 A HA 0.653 4.973 4.320 0.000 0.000 0.246 490 A C 1.066 178.492 177.584 -0.263 0.000 1.078 490 A CA 1.127 52.968 52.037 -0.327 0.000 0.770 490 A CB 0.446 18.965 19.000 -0.800 0.000 1.011 490 A HN 1.806 nan 8.150 nan 0.000 0.494 491 S N 1.163 116.783 115.700 -0.133 0.000 2.558 491 S HA 0.074 4.544 4.470 0.000 0.000 0.291 491 S C 1.132 175.662 174.600 -0.118 0.000 1.306 491 S CA 0.370 58.516 58.200 -0.089 0.000 1.056 491 S CB -0.200 62.987 63.200 -0.021 0.000 0.836 491 S HN 0.975 nan 8.310 nan 0.000 0.504 492 I N 2.139 122.648 120.570 -0.102 0.000 3.860 492 I HA 0.366 4.536 4.170 0.000 0.000 0.319 492 I C 1.295 177.405 176.117 -0.012 0.000 1.279 492 I CA 0.265 61.511 61.300 -0.089 0.000 1.220 492 I CB -0.978 36.956 38.000 -0.110 0.000 1.027 492 I HN 0.867 nan 8.210 nan 0.000 0.428 493 G N 1.533 110.337 108.800 0.006 0.000 2.221 493 G HA2 -0.056 3.904 3.960 0.000 0.000 0.265 493 G HA3 -0.056 3.904 3.960 0.000 0.000 0.265 493 G C 0.272 175.205 174.900 0.055 0.000 1.041 493 G CA 0.228 45.351 45.100 0.039 0.000 0.807 493 G HN 1.083 nan 8.290 nan 0.000 0.502 494 G N -1.682 107.143 108.800 0.042 0.000 2.474 494 G HA2 0.658 4.618 3.960 0.000 0.000 0.234 494 G HA3 0.658 4.618 3.960 0.000 0.000 0.234 494 G C -1.581 173.344 174.900 0.041 0.000 1.204 494 G CA 0.092 45.232 45.100 0.068 0.000 0.939 494 G HN 1.490 nan 8.290 nan 0.000 0.491 495 L N 0.057 121.318 121.223 0.062 0.000 2.455 495 L HA 0.889 5.229 4.340 0.000 0.000 0.264 495 L C -0.815 176.030 176.870 -0.042 0.000 0.968 495 L CA -0.669 54.179 54.840 0.013 0.000 0.827 495 L CB 2.232 44.325 42.059 0.057 0.000 1.317 495 L HN 0.730 nan 8.230 nan 0.000 0.407 496 K N 3.783 124.100 120.400 -0.138 0.000 2.443 496 K HA 0.800 5.120 4.320 0.000 0.000 0.252 496 K C -2.023 174.387 176.600 -0.316 0.000 0.933 496 K CA -0.641 55.513 56.287 -0.222 0.000 0.792 496 K CB 1.996 34.404 32.500 -0.153 0.000 1.185 496 K HN 0.499 nan 8.250 nan 0.000 0.425 497 V N 5.441 125.027 119.914 -0.546 0.000 2.540 497 V HA 0.526 4.646 4.120 0.000 0.000 0.302 497 V C -0.439 175.571 176.094 -0.140 0.000 1.035 497 V CA -0.719 61.356 62.300 -0.375 0.000 0.873 497 V CB 1.651 33.179 31.823 -0.492 0.000 0.992 497 V HN 0.852 nan 8.190 nan 0.000 0.428 498 M N 3.672 123.257 119.600 -0.025 0.000 2.591 498 M HA 0.688 5.168 4.480 0.000 0.000 0.306 498 M C -0.142 176.209 176.300 0.084 0.000 1.190 498 M CA -0.388 54.963 55.300 0.085 0.000 0.889 498 M CB 2.750 35.367 32.600 0.028 0.000 1.728 498 M HN 0.833 nan 8.290 nan 0.000 0.458 499 T N -3.968 110.666 114.554 0.134 0.000 2.773 499 T HA 0.392 4.742 4.350 0.000 0.000 0.278 499 T C 0.174 174.934 174.700 0.099 0.000 1.011 499 T CA -0.790 61.374 62.100 0.107 0.000 1.014 499 T CB 1.102 70.049 68.868 0.133 0.000 1.293 499 T HN 0.556 nan 8.240 nan 0.000 0.554 500 D N 0.427 120.867 120.400 0.066 0.000 2.263 500 D HA -0.018 4.622 4.640 0.000 0.000 0.208 500 D C 1.117 177.448 176.300 0.052 0.000 0.971 500 D CA 0.934 54.954 54.000 0.033 0.000 0.867 500 D CB -0.052 40.755 40.800 0.011 0.000 0.929 500 D HN 0.444 nan 8.370 nan 0.000 0.492 501 N N -0.669 118.103 118.700 0.120 0.000 2.227 501 N HA 0.201 4.941 4.740 0.000 0.000 0.196 501 N C 0.773 176.468 175.510 0.307 0.000 1.142 501 N CA 0.302 53.449 53.050 0.161 0.000 0.887 501 N CB 2.057 40.591 38.487 0.078 0.000 1.022 501 N HN 0.120 nan 8.380 nan 0.000 0.500 502 G N -0.293 108.699 108.800 0.321 0.000 2.488 502 G HA2 0.512 4.472 3.960 0.000 0.000 0.301 502 G HA3 0.512 4.472 3.960 0.000 0.000 0.301 502 G C -2.158 172.951 174.900 0.349 0.000 1.339 502 G CA -0.807 44.482 45.100 0.315 0.000 0.803 502 G HN 0.078 nan 8.290 nan 0.000 0.482 503 W N -1.134 120.256 121.300 0.150 0.000 3.057 503 W HA 0.671 5.331 4.660 -0.000 0.000 0.328 503 W C -2.278 174.334 176.519 0.156 0.000 1.232 503 W CA -1.720 55.676 57.345 0.085 0.000 1.187 503 W CB 0.730 30.211 29.460 0.035 0.000 1.417 503 W HN 0.958 nan 8.180 nan 0.000 0.569 504 F N 0.828 120.966 119.950 0.312 0.000 2.599 504 F HA 0.926 5.453 4.527 -0.000 0.000 0.311 504 F C -1.242 174.846 175.800 0.480 0.000 1.076 504 F CA -1.403 56.727 58.000 0.218 0.000 0.937 504 F CB 1.522 40.542 39.000 0.034 0.000 1.282 504 F HN 0.681 nan 8.300 nan 0.000 0.460 505 A N 1.809 125.028 122.820 0.666 0.000 2.393 505 A HA 0.924 5.244 4.320 0.000 0.000 0.306 505 A C -1.422 176.515 177.584 0.588 0.000 1.050 505 A CA -0.411 51.899 52.037 0.455 0.000 0.724 505 A CB 1.115 20.341 19.000 0.377 0.000 1.248 505 A HN 1.746 nan 8.150 nan 0.000 0.424 506 A N 2.520 125.616 122.820 0.461 0.000 2.331 506 A HA 0.856 5.176 4.320 0.000 0.000 0.320 506 A C -0.174 177.600 177.584 0.317 0.000 1.138 506 A CA -0.633 51.658 52.037 0.423 0.000 0.790 506 A CB 0.964 20.195 19.000 0.385 0.000 1.206 506 A HN 0.818 nan 8.150 nan 0.000 0.470 507 R N 2.407 123.109 120.500 0.336 0.000 2.725 507 R HA 0.517 4.857 4.340 0.000 0.000 0.277 507 R C -3.029 173.417 176.300 0.244 0.000 0.987 507 R CA -1.960 54.295 56.100 0.258 0.000 0.901 507 R CB 2.571 33.034 30.300 0.273 0.000 1.207 507 R HN 0.525 nan 8.270 nan 0.000 0.463 508 P HA -0.041 nan 4.420 nan 0.000 0.269 508 P C -0.264 177.126 177.300 0.149 0.000 1.215 508 P CA -0.074 63.128 63.100 0.170 0.000 0.780 508 P CB 0.932 32.707 31.700 0.125 0.000 0.898 509 S N 1.033 116.806 115.700 0.122 0.000 2.564 509 S HA 0.302 4.772 4.470 0.000 0.000 0.278 509 S C 1.667 176.317 174.600 0.083 0.000 1.333 509 S CA 0.057 58.312 58.200 0.092 0.000 1.048 509 S CB -0.325 62.906 63.200 0.052 0.000 0.900 509 S HN 0.570 nan 8.310 nan 0.000 0.505 510 G N 1.661 110.509 108.800 0.081 0.000 2.880 510 G HA2 0.076 4.036 3.960 0.000 0.000 0.209 510 G HA3 0.076 4.036 3.960 0.000 0.000 0.209 510 G C 1.030 175.962 174.900 0.053 0.000 1.157 510 G CA 0.675 45.816 45.100 0.068 0.000 0.779 510 G HN 0.884 nan 8.290 nan 0.000 0.539 511 T N -4.795 109.788 114.554 0.048 0.000 2.986 511 T HA 0.534 4.884 4.350 0.000 0.000 0.264 511 T C 0.537 175.255 174.700 0.030 0.000 0.964 511 T CA 0.931 63.053 62.100 0.036 0.000 0.895 511 T CB 0.591 69.479 68.868 0.032 0.000 1.163 511 T HN 0.460 nan 8.240 nan 0.000 0.517 512 E N 0.277 120.495 120.200 0.030 0.000 2.392 512 E HA 0.598 4.948 4.350 0.000 0.000 0.269 512 E C -0.761 175.857 176.600 0.030 0.000 0.924 512 E CA -0.407 56.006 56.400 0.022 0.000 0.784 512 E CB 0.308 30.011 29.700 0.006 0.000 1.292 512 E HN 0.428 nan 8.360 nan 0.000 0.447 513 D N -0.155 120.261 120.400 0.027 0.000 2.498 513 D HA 0.582 5.222 4.640 0.000 0.000 0.229 513 D C 0.185 176.511 176.300 0.042 0.000 1.188 513 D CA 0.692 54.715 54.000 0.038 0.000 1.028 513 D CB -0.286 40.533 40.800 0.033 0.000 1.087 513 D HN 1.394 nan 8.370 nan 0.000 0.510 514 A N 0.788 123.643 122.820 0.057 0.000 2.566 514 A HA 0.743 5.063 4.320 0.000 0.000 0.290 514 A C -1.164 176.485 177.584 0.108 0.000 1.071 514 A CA -0.860 51.202 52.037 0.042 0.000 0.658 514 A CB 0.843 19.806 19.000 -0.061 0.000 1.285 514 A HN 1.114 nan 8.150 nan 0.000 0.427 515 Y N -0.513 119.798 120.300 0.017 0.000 2.549 515 Y HA 0.865 5.415 4.550 -0.000 0.000 0.339 515 Y C -0.364 175.540 175.900 0.007 0.000 1.053 515 Y CA -0.983 57.136 58.100 0.030 0.000 1.105 515 Y CB 1.468 39.949 38.460 0.035 0.000 1.258 515 Y HN 0.578 nan 8.280 nan 0.000 0.478 516 K N 3.051 123.499 120.400 0.080 0.000 2.259 516 K HA 0.654 4.974 4.320 0.000 0.000 0.252 516 K C -1.522 175.113 176.600 0.058 0.000 0.936 516 K CA -0.692 55.541 56.287 -0.090 0.000 0.810 516 K CB 2.498 34.915 32.500 -0.139 0.000 1.143 516 K HN 0.700 nan 8.250 nan 0.000 0.427 517 I N 2.976 123.493 120.570 -0.088 0.000 2.436 517 I HA 0.296 4.466 4.170 0.000 0.000 0.289 517 I C -1.110 174.913 176.117 -0.157 0.000 1.010 517 I CA -0.894 60.443 61.300 0.062 0.000 1.098 517 I CB 1.078 39.122 38.000 0.073 0.000 1.266 517 I HN 0.479 nan 8.210 nan 0.000 0.434 518 Y N 5.239 125.611 120.300 0.121 0.000 2.330 518 Y HA 0.584 5.133 4.550 -0.000 0.000 0.336 518 Y C 0.402 176.122 175.900 -0.299 0.000 1.036 518 Y CA -0.654 57.421 58.100 -0.041 0.000 1.125 518 Y CB 1.515 40.117 38.460 0.237 0.000 1.194 518 Y HN 0.654 nan 8.280 nan 0.000 0.469 519 C N 0.938 119.878 119.300 -0.599 0.000 3.241 519 C HA 0.879 5.339 4.460 0.000 0.000 0.312 519 C C -1.080 173.267 174.990 -1.072 0.000 1.350 519 C CA -0.833 57.678 59.018 -0.845 0.000 1.415 519 C CB 1.752 29.263 27.740 -0.380 0.000 1.770 519 C HN 0.976 nan 8.230 nan 0.000 0.466 520 E N 0.704 120.265 120.200 -1.065 0.000 2.354 520 E HA 0.586 4.936 4.350 0.000 0.000 0.283 520 E C -1.667 174.760 176.600 -0.289 0.000 0.938 520 E CA 0.105 56.138 56.400 -0.611 0.000 0.777 520 E CB 2.255 31.684 29.700 -0.451 0.000 1.222 520 E HN 1.009 nan 8.360 nan 0.000 0.423 521 S N 3.340 119.014 115.700 -0.043 0.000 2.521 521 S HA 0.461 4.931 4.470 0.000 0.000 0.295 521 S C -0.577 174.118 174.600 0.159 0.000 1.098 521 S CA -0.525 57.783 58.200 0.179 0.000 0.999 521 S CB 0.667 64.048 63.200 0.302 0.000 1.034 521 S HN 0.508 nan 8.310 nan 0.000 0.483 522 F N 3.227 123.255 119.950 0.130 0.000 2.797 522 F HA 0.381 4.908 4.527 -0.000 0.000 0.302 522 F C 1.351 177.182 175.800 0.051 0.000 1.130 522 F CA 0.241 58.303 58.000 0.103 0.000 1.387 522 F CB 0.179 39.243 39.000 0.107 0.000 1.107 522 F HN 0.518 nan 8.300 nan 0.000 0.577 523 L N -1.251 120.052 121.223 0.132 0.000 2.463 523 L HA 0.397 4.737 4.340 0.000 0.000 0.219 523 L C 1.088 177.985 176.870 0.045 0.000 1.088 523 L CA 0.490 55.333 54.840 0.005 0.000 0.849 523 L CB -0.342 41.545 42.059 -0.286 0.000 1.012 523 L HN 0.195 nan 8.230 nan 0.000 0.468 524 G N -0.195 108.652 108.800 0.079 0.000 2.347 524 G HA2 -0.153 3.807 3.960 0.000 0.000 0.341 524 G HA3 -0.153 3.807 3.960 0.000 0.000 0.341 524 G C 0.009 174.954 174.900 0.074 0.000 1.287 524 G CA -0.105 45.030 45.100 0.059 0.000 0.984 524 G HN 0.001 nan 8.290 nan 0.000 0.526 525 E N -0.400 119.828 120.200 0.047 0.000 2.106 525 E HA -0.063 4.287 4.350 0.000 0.000 0.192 525 E C 2.581 179.200 176.600 0.031 0.000 0.984 525 E CA 2.253 58.671 56.400 0.031 0.000 0.806 525 E CB -0.150 29.563 29.700 0.021 0.000 0.750 525 E HN 0.783 nan 8.360 nan 0.000 0.458 526 E N 0.881 121.110 120.200 0.049 0.000 2.047 526 E HA -0.238 4.112 4.350 0.000 0.000 0.191 526 E C 1.799 178.437 176.600 0.063 0.000 0.987 526 E CA 1.491 57.918 56.400 0.044 0.000 0.799 526 E CB -1.133 28.596 29.700 0.048 0.000 0.752 526 E HN 0.497 nan 8.360 nan 0.000 0.449 527 H N -0.110 118.961 119.070 0.002 0.000 2.387 527 H HA -0.033 4.523 4.556 0.000 0.000 0.299 527 H C 2.500 177.822 175.328 -0.010 0.000 1.090 527 H CA 1.664 57.716 56.048 0.006 0.000 1.332 527 H CB 0.114 29.891 29.762 0.025 0.000 1.386 527 H HN 0.344 nan 8.280 nan 0.000 0.516 528 R N 1.088 121.587 120.500 -0.003 0.000 2.081 528 R HA -0.104 4.236 4.340 0.000 0.000 0.235 528 R C 2.199 178.419 176.300 -0.133 0.000 1.131 528 R CA 1.417 57.460 56.100 -0.095 0.000 0.960 528 R CB 0.040 30.304 30.300 -0.060 0.000 0.856 528 R HN 0.314 nan 8.270 nan 0.000 0.436 529 K N -0.166 120.182 120.400 -0.087 0.000 2.211 529 K HA -0.180 4.140 4.320 0.000 0.000 0.203 529 K C 2.075 178.611 176.600 -0.107 0.000 1.050 529 K CA 1.154 57.388 56.287 -0.087 0.000 0.945 529 K CB 0.010 32.479 32.500 -0.052 0.000 0.732 529 K HN 0.088 nan 8.250 nan 0.000 0.451 530 Q N 1.402 121.124 119.800 -0.129 0.000 2.096 530 Q HA -0.012 4.328 4.340 0.000 0.000 0.197 530 Q C 1.743 177.637 176.000 -0.175 0.000 0.964 530 Q CA 1.172 56.893 55.803 -0.136 0.000 0.838 530 Q CB -0.061 28.601 28.738 -0.127 0.000 0.906 530 Q HN 0.255 nan 8.270 nan 0.000 0.444 531 I N 0.619 121.041 120.570 -0.246 0.000 2.151 531 I HA -0.337 3.833 4.170 0.000 0.000 0.243 531 I C 2.082 178.081 176.117 -0.197 0.000 1.080 531 I CA 1.759 62.941 61.300 -0.195 0.000 1.339 531 I CB -0.336 37.549 38.000 -0.190 0.000 1.039 531 I HN 0.343 nan 8.210 nan 0.000 0.409 532 E N 0.893 120.979 120.200 -0.190 0.000 2.070 532 E HA -0.304 4.046 4.350 0.000 0.000 0.197 532 E C 2.544 179.031 176.600 -0.189 0.000 1.004 532 E CA 1.995 58.279 56.400 -0.194 0.000 0.805 532 E CB -0.318 29.294 29.700 -0.147 0.000 0.744 532 E HN 0.557 nan 8.360 nan 0.000 0.451 533 K N 1.645 121.958 120.400 -0.145 0.000 2.032 533 K HA -0.237 4.083 4.320 0.000 0.000 0.209 533 K C 1.797 178.316 176.600 -0.136 0.000 1.048 533 K CA 1.958 58.176 56.287 -0.116 0.000 0.927 533 K CB -0.956 31.492 32.500 -0.086 0.000 0.712 533 K HN 0.236 nan 8.250 nan 0.000 0.441 534 E N -0.413 119.698 120.200 -0.149 0.000 2.152 534 E HA 0.040 4.390 4.350 0.000 0.000 0.192 534 E C 2.478 178.924 176.600 -0.257 0.000 0.983 534 E CA 0.636 56.953 56.400 -0.139 0.000 0.818 534 E CB -0.128 29.527 29.700 -0.076 0.000 0.758 534 E HN 0.595 nan 8.360 nan 0.000 0.467 535 A N 1.021 123.551 122.820 -0.484 0.000 1.877 535 A HA -0.137 4.183 4.320 0.000 0.000 0.216 535 A C 2.491 179.748 177.584 -0.545 0.000 1.186 535 A CA 1.070 52.486 52.037 -1.035 0.000 0.620 535 A CB -0.659 17.517 19.000 -1.373 0.000 0.822 535 A HN 0.109 nan 8.150 nan 0.000 0.443 536 V N 0.154 119.883 119.914 -0.308 0.000 2.343 536 V HA -0.228 3.892 4.120 0.000 0.000 0.247 536 V C 3.123 179.131 176.094 -0.144 0.000 1.051 536 V CA 2.688 64.894 62.300 -0.157 0.000 1.036 536 V CB -1.308 30.472 31.823 -0.072 0.000 0.654 536 V HN 0.800 nan 8.190 nan 0.000 0.451 537 E N -0.060 120.060 120.200 -0.133 0.000 2.077 537 E HA -0.236 4.114 4.350 0.000 0.000 0.193 537 E C 1.965 178.515 176.600 -0.083 0.000 0.989 537 E CA 1.831 58.177 56.400 -0.090 0.000 0.800 537 E CB -0.606 29.054 29.700 -0.067 0.000 0.746 537 E HN 0.657 nan 8.360 nan 0.000 0.452 538 I N 0.282 120.796 120.570 -0.093 0.000 2.142 538 I HA -0.230 3.940 4.170 0.000 0.000 0.240 538 I C 2.650 178.747 176.117 -0.033 0.000 1.078 538 I CA 1.199 62.489 61.300 -0.017 0.000 1.343 538 I CB -0.219 37.843 38.000 0.104 0.000 1.046 538 I HN 0.218 nan 8.210 nan 0.000 0.405 539 V N 0.265 120.118 119.914 -0.102 0.000 2.252 539 V HA -0.333 3.787 4.120 0.000 0.000 0.249 539 V C 2.555 178.543 176.094 -0.178 0.000 1.056 539 V CA 2.364 64.569 62.300 -0.158 0.000 1.022 539 V CB -0.750 30.882 31.823 -0.318 0.000 0.641 539 V HN 0.398 nan 8.190 nan 0.000 0.445 540 S N -0.501 115.096 115.700 -0.172 0.000 2.380 540 S HA -0.313 4.157 4.470 0.000 0.000 0.229 540 S C 1.992 176.546 174.600 -0.076 0.000 1.043 540 S CA 2.096 60.224 58.200 -0.121 0.000 1.038 540 S CB -0.343 62.807 63.200 -0.083 0.000 0.872 540 S HN 0.761 nan 8.310 nan 0.000 0.456 541 E N 1.304 121.470 120.200 -0.056 0.000 2.015 541 E HA -0.069 4.281 4.350 0.000 0.000 0.191 541 E C 1.810 178.395 176.600 -0.025 0.000 0.991 541 E CA 1.257 57.639 56.400 -0.031 0.000 0.802 541 E CB -0.510 29.180 29.700 -0.017 0.000 0.759 541 E HN 0.235 nan 8.360 nan 0.000 0.447 542 V N 1.003 120.905 119.914 -0.020 0.000 2.867 542 V HA -0.154 3.966 4.120 0.000 0.000 0.260 542 V C 1.960 178.039 176.094 -0.024 0.000 1.099 542 V CA 1.322 63.615 62.300 -0.011 0.000 1.122 542 V CB -0.436 31.391 31.823 0.007 0.000 0.708 542 V HN 0.345 nan 8.190 nan 0.000 0.490 543 L N -0.706 120.489 121.223 -0.045 0.000 2.731 543 L HA 0.151 4.491 4.340 0.000 0.000 0.240 543 L C 2.629 179.477 176.870 -0.037 0.000 1.120 543 L CA 0.607 55.418 54.840 -0.048 0.000 0.913 543 L CB -0.542 41.465 42.059 -0.087 0.000 1.213 543 L HN 0.343 nan 8.230 nan 0.000 0.515 544 K N 1.096 121.476 120.400 -0.034 0.000 2.218 544 K HA -0.263 4.057 4.320 0.000 0.000 0.205 544 K C 1.664 178.256 176.600 -0.015 0.000 1.046 544 K CA 1.808 58.081 56.287 -0.023 0.000 0.933 544 K CB -1.979 30.509 32.500 -0.020 0.000 0.728 544 K HN 0.588 nan 8.250 nan 0.000 0.454 545 N N 0.334 119.026 118.700 -0.013 0.000 2.016 545 N HA 0.199 4.939 4.740 0.000 0.000 0.194 545 N C 1.342 176.850 175.510 -0.005 0.000 1.078 545 N CA 2.980 56.026 53.050 -0.007 0.000 0.894 545 N CB -0.720 37.764 38.487 -0.005 0.000 1.073 545 N HN 1.261 nan 8.380 nan 0.000 0.480 546 A N 0.000 122.818 122.820 -0.003 0.000 2.254 546 A HA 0.000 4.320 4.320 0.000 0.000 0.244 546 A CA 0.000 52.037 52.037 0.001 0.000 0.836 546 A CB 0.000 19.002 19.000 0.003 0.000 0.831 546 A HN 0.000 nan 8.150 nan 0.000 0.486