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 1vh4_1_B DATA FIRST_RESID 6 DATA SEQUENCE NSSNALQQWH HLFEAXXTKR SPQAQQHLQQ LLRTGLPTRK HENWKYTPLE DATA SEQUENCE GLINSQFVSI AGEISPQQRD ALALTLDSVR LVFVDGRYVP ALSDATEGSG DATA SEQUENCE YEVSINDDRQ GLPDAIQAEV FLHLTESLAQ SVTHIAVKRG QRPAKPLLLM DATA SEQUENCE HITQGVAGEE VNTAHYRHHL DLAEGAEATV IEHFVSLNDA RHFTGARFTI DATA SEQUENCE NVAANAHLQH IKLAFENPLS HHFAHNDLLL AEDATAFSHS FLLGGAVLRH DATA SEQUENCE NTSTQLNGEN STLRINSLAM PVKNEVCDTR TWLEHNKGFC NSRQLHKTIV DATA SEQUENCE SDKGRAVFNG LINVAQHAIK TDGQMTNNNL LMGKLAEVDT KPQLEIYADD DATA SEQUENCE VKCSHGATVG RIDDEQIFYL RSRGINQQDA QQMIIYAFAA ELTEALRDEG DATA SEQUENCE LKQQVLARIG QRLPGG 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 6 N HA 0.000 nan 4.740 nan 0.000 0.220 6 N C 0.000 175.429 175.510 -0.135 0.000 1.280 6 N CA 0.000 52.992 53.050 -0.096 0.000 0.885 6 N CB 0.000 38.438 38.487 -0.081 0.000 1.341 7 S N -0.293 115.326 115.700 -0.134 0.000 2.359 7 S HA -0.137 4.333 4.470 -0.000 0.000 0.224 7 S C 1.457 175.928 174.600 -0.215 0.000 1.035 7 S CA 1.667 59.761 58.200 -0.178 0.000 1.018 7 S CB -0.628 62.484 63.200 -0.147 0.000 0.876 7 S HN 0.564 nan 8.310 nan 0.000 0.448 8 S N 1.504 117.108 115.700 -0.160 0.000 2.400 8 S HA -0.128 4.342 4.470 -0.000 0.000 0.232 8 S C 1.748 176.241 174.600 -0.178 0.000 1.025 8 S CA 0.900 59.010 58.200 -0.151 0.000 0.993 8 S CB -0.570 62.569 63.200 -0.100 0.000 0.808 8 S HN 0.601 nan 8.310 nan 0.000 0.478 9 N N 1.171 119.765 118.700 -0.175 0.000 2.084 9 N HA -0.153 4.587 4.740 -0.000 0.000 0.190 9 N C 1.908 177.250 175.510 -0.279 0.000 1.030 9 N CA 1.097 54.042 53.050 -0.175 0.000 0.849 9 N CB -0.255 38.149 38.487 -0.137 0.000 1.012 9 N HN 0.398 nan 8.380 nan 0.000 0.423 10 A N 1.501 124.073 122.820 -0.413 0.000 1.877 10 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 10 A C 2.274 179.131 177.584 -1.213 0.000 1.186 10 A CA 0.964 52.505 52.037 -0.827 0.000 0.620 10 A CB -0.785 17.645 19.000 -0.951 0.000 0.822 10 A HN 0.336 nan 8.150 nan 0.000 0.443 11 L N -0.929 119.841 121.223 -0.754 0.000 2.046 11 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 11 L C 2.922 179.688 176.870 -0.173 0.000 1.077 11 L CA 1.833 56.431 54.840 -0.404 0.000 0.747 11 L CB -0.496 41.429 42.059 -0.222 0.000 0.896 11 L HN 0.624 nan 8.230 nan 0.000 0.432 12 Q N -0.066 119.641 119.800 -0.155 0.000 2.050 12 Q HA -0.264 4.076 4.340 -0.000 0.000 0.202 12 Q C 2.214 178.229 176.000 0.026 0.000 0.980 12 Q CA 1.721 57.518 55.803 -0.011 0.000 0.840 12 Q CB 0.010 28.721 28.738 -0.045 0.000 0.898 12 Q HN 0.541 nan 8.270 nan 0.000 0.424 13 Q N -0.813 118.927 119.800 -0.100 0.000 2.084 13 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 13 Q C 1.820 177.911 176.000 0.152 0.000 0.978 13 Q CA 1.422 57.219 55.803 -0.010 0.000 0.844 13 Q CB -0.132 28.586 28.738 -0.034 0.000 0.898 13 Q HN 0.551 nan 8.270 nan 0.000 0.426 14 W N 0.080 121.377 121.300 -0.006 0.000 2.388 14 W HA -0.107 4.553 4.660 -0.000 0.000 0.294 14 W C 1.914 178.504 176.519 0.118 0.000 1.212 14 W CA 0.931 58.263 57.345 -0.021 0.000 1.271 14 W CB -1.215 28.149 29.460 -0.160 0.000 1.126 14 W HN 0.434 nan 8.180 nan 0.000 0.535 15 H N -1.336 117.855 119.070 0.202 0.000 2.352 15 H HA -0.225 4.331 4.556 0.000 0.000 0.299 15 H C 2.498 177.951 175.328 0.209 0.000 1.097 15 H CA 1.855 57.987 56.048 0.141 0.000 1.311 15 H CB -0.272 29.521 29.762 0.051 0.000 1.377 15 H HN -0.015 nan 8.280 nan 0.000 0.504 16 H N 0.982 120.152 119.070 0.166 0.000 2.321 16 H HA -0.122 4.434 4.556 -0.000 0.000 0.300 16 H C 2.395 177.804 175.328 0.136 0.000 1.087 16 H CA 1.635 57.728 56.048 0.075 0.000 1.319 16 H CB -0.170 29.620 29.762 0.046 0.000 1.379 16 H HN 0.386 nan 8.280 nan 0.000 0.501 17 L N -0.381 121.073 121.223 0.384 0.000 2.079 17 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 17 L C 2.686 179.669 176.870 0.188 0.000 1.081 17 L CA 1.322 56.337 54.840 0.290 0.000 0.752 17 L CB -0.702 41.538 42.059 0.302 0.000 0.896 17 L HN 0.179 nan 8.230 nan 0.000 0.433 18 F N 1.088 121.096 119.950 0.097 0.000 2.134 18 F HA -0.202 4.325 4.527 0.000 0.000 0.299 18 F C 2.402 178.213 175.800 0.018 0.000 1.097 18 F CA 1.520 59.555 58.000 0.058 0.000 1.264 18 F CB 0.049 39.107 39.000 0.097 0.000 1.001 18 F HN 0.020 nan 8.300 nan 0.000 0.479 19 E N 1.014 121.276 120.200 0.104 0.000 2.489 19 E HA 0.189 4.539 4.350 -0.000 0.000 0.193 19 E C 1.149 177.648 176.600 -0.169 0.000 1.057 19 E CA 0.477 56.843 56.400 -0.056 0.000 0.866 19 E CB -0.582 29.104 29.700 -0.023 0.000 0.916 19 E HN 0.386 nan 8.360 nan 0.000 0.500 24 K N 1.225 121.550 120.400 -0.124 0.000 2.705 24 K HA 0.369 4.689 4.320 -0.000 0.000 0.238 24 K C -0.785 175.736 176.600 -0.132 0.000 0.996 24 K CA -0.772 55.450 56.287 -0.108 0.000 1.007 24 K CB 0.781 33.246 32.500 -0.058 0.000 1.206 24 K HN 0.523 nan 8.250 nan 0.000 0.488 25 R N 1.569 121.950 120.500 -0.198 0.000 2.357 25 R HA 0.175 4.515 4.340 -0.000 0.000 0.296 25 R C 0.300 176.577 176.300 -0.038 0.000 1.052 25 R CA -0.339 55.645 56.100 -0.192 0.000 0.988 25 R CB 1.364 31.362 30.300 -0.503 0.000 1.025 25 R HN 0.761 nan 8.270 nan 0.000 0.469 26 S N 2.336 118.045 115.700 0.015 0.000 2.600 26 S HA 0.167 4.637 4.470 -0.000 0.000 0.265 26 S C -1.669 172.978 174.600 0.079 0.000 1.325 26 S CA -1.025 57.202 58.200 0.044 0.000 1.002 26 S CB 0.922 64.153 63.200 0.052 0.000 0.921 26 S HN 0.276 nan 8.310 nan 0.000 0.554 27 P HA -0.095 nan 4.420 nan 0.000 0.216 27 P C 1.292 178.629 177.300 0.063 0.000 1.150 27 P CA 1.199 64.332 63.100 0.055 0.000 0.837 27 P CB -0.012 31.707 31.700 0.031 0.000 0.786 28 Q N -0.410 119.435 119.800 0.074 0.000 2.079 28 Q HA -0.054 4.286 4.340 -0.000 0.000 0.200 28 Q C 2.299 178.404 176.000 0.175 0.000 0.974 28 Q CA 1.933 57.796 55.803 0.100 0.000 0.840 28 Q CB -1.467 27.337 28.738 0.110 0.000 0.898 28 Q HN 0.175 nan 8.270 nan 0.000 0.430 29 A N 0.390 123.322 122.820 0.188 0.000 1.969 29 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 29 A C 1.959 179.698 177.584 0.258 0.000 1.169 29 A CA 1.319 53.510 52.037 0.257 0.000 0.635 29 A CB -0.382 18.786 19.000 0.280 0.000 0.810 29 A HN 0.384 nan 8.150 nan 0.000 0.445 30 Q N -0.638 119.308 119.800 0.243 0.000 2.124 30 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 30 Q C 2.270 178.237 176.000 -0.055 0.000 0.977 30 Q CA 1.650 57.540 55.803 0.145 0.000 0.850 30 Q CB -0.191 28.642 28.738 0.159 0.000 0.901 30 Q HN 0.775 nan 8.270 nan 0.000 0.429 31 Q N -0.488 119.280 119.800 -0.053 0.000 2.084 31 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 31 Q C 1.954 177.788 176.000 -0.277 0.000 0.978 31 Q CA 1.014 56.714 55.803 -0.172 0.000 0.844 31 Q CB -0.046 28.577 28.738 -0.192 0.000 0.898 31 Q HN 0.526 nan 8.270 nan 0.000 0.426 32 H N 0.165 119.161 119.070 -0.123 0.000 2.423 32 H HA -0.063 4.492 4.556 -0.000 0.000 0.297 32 H C 2.101 177.264 175.328 -0.275 0.000 1.075 32 H CA 0.757 56.715 56.048 -0.151 0.000 1.342 32 H CB 0.076 29.833 29.762 -0.009 0.000 1.395 32 H HN 0.202 nan 8.280 nan 0.000 0.530 33 L N 1.368 122.436 121.223 -0.259 0.000 2.046 33 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 33 L C 1.946 178.564 176.870 -0.420 0.000 1.077 33 L CA 1.547 56.086 54.840 -0.502 0.000 0.747 33 L CB -0.628 40.810 42.059 -1.036 0.000 0.896 33 L HN 0.285 nan 8.230 nan 0.000 0.432 34 Q N -0.798 118.793 119.800 -0.348 0.000 2.061 34 Q HA -0.248 4.091 4.340 -0.000 0.000 0.204 34 Q C 2.124 177.938 176.000 -0.310 0.000 0.984 34 Q CA 1.537 57.165 55.803 -0.292 0.000 0.846 34 Q CB -0.079 28.524 28.738 -0.224 0.000 0.902 34 Q HN 0.557 nan 8.270 nan 0.000 0.421 35 Q N 0.398 119.959 119.800 -0.398 0.000 2.124 35 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 35 Q C 2.174 177.889 176.000 -0.476 0.000 0.977 35 Q CA 0.809 56.288 55.803 -0.541 0.000 0.850 35 Q CB -0.335 27.819 28.738 -0.974 0.000 0.901 35 Q HN 0.294 nan 8.270 nan 0.000 0.429 36 L N 0.356 121.353 121.223 -0.377 0.000 2.042 36 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 36 L C 2.024 178.778 176.870 -0.193 0.000 1.076 36 L CA 1.620 56.339 54.840 -0.201 0.000 0.749 36 L CB -0.557 41.396 42.059 -0.177 0.000 0.893 36 L HN 0.148 nan 8.230 nan 0.000 0.432 37 L N -1.180 119.897 121.223 -0.243 0.000 2.217 37 L HA -0.083 4.257 4.340 -0.000 0.000 0.211 37 L C 2.686 179.459 176.870 -0.160 0.000 1.107 37 L CA 0.790 55.503 54.840 -0.211 0.000 0.783 37 L CB -0.479 41.420 42.059 -0.268 0.000 0.919 37 L HN 0.234 nan 8.230 nan 0.000 0.442 38 R N -0.641 119.759 120.500 -0.167 0.000 2.090 38 R HA -0.056 4.284 4.340 -0.000 0.000 0.228 38 R C 2.233 178.480 176.300 -0.088 0.000 1.110 38 R CA 1.592 57.618 56.100 -0.123 0.000 0.973 38 R CB -0.318 29.902 30.300 -0.133 0.000 0.869 38 R HN 0.291 nan 8.270 nan 0.000 0.440 39 T N -0.361 114.140 114.554 -0.089 0.000 2.894 39 T HA 0.125 4.475 4.350 -0.000 0.000 0.258 39 T C 1.007 175.678 174.700 -0.048 0.000 1.043 39 T CA 0.873 62.953 62.100 -0.032 0.000 1.141 39 T CB -0.174 68.709 68.868 0.025 0.000 0.873 39 T HN 0.573 nan 8.240 nan 0.000 0.449 40 G N 0.976 109.724 108.800 -0.087 0.000 2.796 40 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.226 40 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.226 40 G C -0.723 174.086 174.900 -0.152 0.000 1.381 40 G CA -0.769 44.264 45.100 -0.111 0.000 0.867 40 G HN 0.494 nan 8.290 nan 0.000 0.552 41 L N 2.152 123.266 121.223 -0.181 0.000 2.357 41 L HA 0.561 4.901 4.340 -0.000 0.000 0.273 41 L C -1.004 175.707 176.870 -0.265 0.000 1.080 41 L CA -1.587 53.096 54.840 -0.263 0.000 0.803 41 L CB 1.508 43.421 42.059 -0.244 0.000 1.174 41 L HN 0.669 nan 8.230 nan 0.000 0.443 42 P HA 0.349 nan 4.420 nan 0.000 0.283 42 P C -0.865 176.291 177.300 -0.239 0.000 1.278 42 P CA -0.432 62.457 63.100 -0.352 0.000 0.834 42 P CB 1.520 32.741 31.700 -0.798 0.000 1.150 43 T N -4.197 110.320 114.554 -0.062 0.000 2.922 43 T HA 0.553 4.903 4.350 -0.000 0.000 0.281 43 T C 1.399 176.145 174.700 0.078 0.000 1.005 43 T CA -0.316 61.779 62.100 -0.007 0.000 0.982 43 T CB 0.274 69.152 68.868 0.016 0.000 1.158 43 T HN 0.375 nan 8.240 nan 0.000 0.566 44 R N -0.022 120.528 120.500 0.083 0.000 2.328 44 R HA 0.106 4.446 4.340 -0.000 0.000 0.207 44 R C 1.897 178.251 176.300 0.090 0.000 1.056 44 R CA 1.138 57.302 56.100 0.108 0.000 1.016 44 R CB -1.291 29.052 30.300 0.073 0.000 0.872 44 R HN 0.729 nan 8.270 nan 0.000 0.471 45 K N -0.359 120.096 120.400 0.092 0.000 2.400 45 K HA 0.014 4.334 4.320 -0.000 0.000 0.194 45 K C 0.101 176.765 176.600 0.107 0.000 1.033 45 K CA -0.327 56.002 56.287 0.070 0.000 1.021 45 K CB 0.096 32.622 32.500 0.044 0.000 0.808 45 K HN 0.557 nan 8.250 nan 0.000 0.505 46 H N 2.320 121.447 119.070 0.094 0.000 2.815 46 H HA -0.046 4.510 4.556 0.000 0.000 0.350 46 H C 1.036 176.450 175.328 0.143 0.000 1.080 46 H CA 0.811 56.949 56.048 0.149 0.000 1.433 46 H CB 1.103 31.013 29.762 0.247 0.000 1.432 46 H HN 0.196 nan 8.280 nan 0.000 0.592 47 E N 3.406 123.611 120.200 0.008 0.000 2.147 47 E HA -0.249 4.101 4.350 -0.000 0.000 0.199 47 E C 0.278 176.997 176.600 0.197 0.000 1.005 47 E CA 1.392 57.840 56.400 0.080 0.000 0.810 47 E CB 0.207 29.898 29.700 -0.015 0.000 0.736 47 E HN 0.565 nan 8.360 nan 0.000 0.460 48 N N -1.263 117.709 118.700 0.454 0.000 2.251 48 N HA 0.042 4.782 4.740 -0.000 0.000 0.217 48 N C -0.751 174.580 175.510 -0.299 0.000 1.124 48 N CA 0.199 53.273 53.050 0.040 0.000 0.843 48 N CB 0.320 38.794 38.487 -0.020 0.000 1.024 48 N HN 0.271 nan 8.380 nan 0.000 0.501 49 W N -0.024 121.325 121.300 0.080 0.000 1.832 49 W HA 0.338 4.998 4.660 -0.000 0.000 0.297 49 W C 1.597 178.071 176.519 -0.075 0.000 0.891 49 W CA -0.587 56.774 57.345 0.026 0.000 2.000 49 W CB 0.408 29.896 29.460 0.047 0.000 1.081 49 W HN -0.116 nan 8.180 nan 0.000 0.499 50 K N -0.126 120.175 120.400 -0.165 0.000 2.211 50 K HA -0.123 4.196 4.320 -0.000 0.000 0.203 50 K C 0.579 176.946 176.600 -0.388 0.000 1.050 50 K CA 1.522 57.560 56.287 -0.416 0.000 0.945 50 K CB 0.035 32.007 32.500 -0.880 0.000 0.732 50 K HN 0.333 nan 8.250 nan 0.000 0.451 51 Y N -0.815 119.554 120.300 0.115 0.000 2.481 51 Y HA 0.212 4.762 4.550 -0.001 0.000 0.247 51 Y C -0.114 175.852 175.900 0.110 0.000 1.151 51 Y CA -0.639 57.514 58.100 0.089 0.000 1.238 51 Y CB 1.216 39.698 38.460 0.037 0.000 1.179 51 Y HN -0.205 nan 8.280 nan 0.000 0.524 52 T N 4.649 119.365 114.554 0.270 0.000 2.842 52 T HA 0.275 4.625 4.350 -0.000 0.000 0.308 52 T C -2.705 172.238 174.700 0.405 0.000 1.041 52 T CA -1.594 60.686 62.100 0.300 0.000 0.964 52 T CB 1.335 70.345 68.868 0.237 0.000 0.972 52 T HN -0.103 nan 8.240 nan 0.000 0.460 53 P HA 0.318 nan 4.420 nan 0.000 0.276 53 P C -0.084 177.421 177.300 0.342 0.000 1.230 53 P CA -0.424 62.845 63.100 0.282 0.000 0.776 53 P CB 1.396 33.222 31.700 0.211 0.000 0.888 54 L N 1.367 122.736 121.223 0.242 0.000 2.858 54 L HA 0.104 4.444 4.340 -0.000 0.000 0.251 54 L C 1.828 178.757 176.870 0.099 0.000 1.149 54 L CA 0.145 55.096 54.840 0.185 0.000 0.955 54 L CB -0.088 42.016 42.059 0.075 0.000 1.289 54 L HN 0.201 nan 8.230 nan 0.000 0.542 55 E N 1.104 121.365 120.200 0.101 0.000 2.097 55 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 55 E C 2.201 178.825 176.600 0.040 0.000 1.000 55 E CA 1.602 58.034 56.400 0.053 0.000 0.804 55 E CB -0.418 29.318 29.700 0.060 0.000 0.740 55 E HN 0.418 nan 8.360 nan 0.000 0.454 56 G N -0.129 108.734 108.800 0.104 0.000 2.470 56 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.220 56 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.220 56 G C 1.411 176.259 174.900 -0.086 0.000 1.121 56 G CA 0.594 45.754 45.100 0.100 0.000 0.766 56 G HN 0.160 nan 8.290 nan 0.000 0.553 57 L N 0.070 121.181 121.223 -0.187 0.000 2.200 57 L HA 0.409 4.749 4.340 -0.000 0.000 0.200 57 L C 2.599 179.455 176.870 -0.023 0.000 1.072 57 L CA 0.772 55.464 54.840 -0.247 0.000 0.787 57 L CB -0.363 41.473 42.059 -0.372 0.000 0.957 57 L HN 0.149 nan 8.230 nan 0.000 0.459 58 I N 0.286 120.825 120.570 -0.051 0.000 2.286 58 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 58 I C 0.996 177.055 176.117 -0.097 0.000 1.115 58 I CA 1.018 62.264 61.300 -0.091 0.000 1.392 58 I CB -0.216 37.726 38.000 -0.096 0.000 1.065 58 I HN 0.369 nan 8.210 nan 0.000 0.418 59 N N 0.598 119.243 118.700 -0.091 0.000 2.370 59 N HA 0.072 4.812 4.740 -0.000 0.000 0.198 59 N C -0.053 175.367 175.510 -0.150 0.000 1.156 59 N CA 0.197 53.187 53.050 -0.100 0.000 0.839 59 N CB 0.302 38.749 38.487 -0.067 0.000 0.989 59 N HN 0.139 nan 8.380 nan 0.000 0.468 60 S N 0.340 115.894 115.700 -0.242 0.000 2.651 60 S HA 0.374 4.844 4.470 -0.000 0.000 0.291 60 S C 0.058 174.356 174.600 -0.502 0.000 1.141 60 S CA -0.603 57.338 58.200 -0.431 0.000 1.027 60 S CB 1.873 64.647 63.200 -0.710 0.000 1.043 60 S HN 0.013 nan 8.310 nan 0.000 0.530 61 Q N 0.961 120.498 119.800 -0.438 0.000 2.290 61 Q HA 0.563 4.903 4.340 -0.000 0.000 0.259 61 Q C -1.383 174.406 176.000 -0.352 0.000 0.941 61 Q CA 0.062 55.700 55.803 -0.274 0.000 0.912 61 Q CB 0.523 29.177 28.738 -0.139 0.000 1.244 61 Q HN 0.489 nan 8.270 nan 0.000 0.441 62 F N 1.392 121.360 119.950 0.030 0.000 2.440 62 F HA 0.731 5.258 4.527 -0.000 0.000 0.328 62 F C 0.249 176.118 175.800 0.115 0.000 1.070 62 F CA -0.859 57.215 58.000 0.123 0.000 1.011 62 F CB 1.243 40.389 39.000 0.244 0.000 1.226 62 F HN 0.282 nan 8.300 nan 0.000 0.491 63 V N -1.403 118.718 119.914 0.345 0.000 3.159 63 V HA 0.766 4.886 4.120 -0.000 0.000 0.308 63 V C -0.891 175.361 176.094 0.263 0.000 1.190 63 V CA -0.902 61.542 62.300 0.241 0.000 1.037 63 V CB 1.592 33.508 31.823 0.155 0.000 1.060 63 V HN 0.696 nan 8.190 nan 0.000 0.437 64 S N 1.887 117.708 115.700 0.201 0.000 2.279 64 S HA 0.664 5.134 4.470 -0.000 0.000 0.176 64 S C -0.879 173.793 174.600 0.119 0.000 1.554 64 S CA -0.437 57.865 58.200 0.170 0.000 1.242 64 S CB -0.431 62.870 63.200 0.168 0.000 1.163 64 S HN 0.650 nan 8.310 nan 0.000 0.449 65 I N 3.144 123.779 120.570 0.109 0.000 2.404 65 I HA 0.621 4.791 4.170 -0.000 0.000 0.293 65 I C 0.178 176.337 176.117 0.069 0.000 0.992 65 I CA -0.896 60.454 61.300 0.082 0.000 1.149 65 I CB 1.943 39.991 38.000 0.080 0.000 1.315 65 I HN 0.595 nan 8.210 nan 0.000 0.446 66 A N 4.972 127.825 122.820 0.055 0.000 2.273 66 A HA 0.740 5.060 4.320 -0.000 0.000 0.320 66 A C 0.278 177.888 177.584 0.043 0.000 1.358 66 A CA -0.375 51.691 52.037 0.049 0.000 0.910 66 A CB 0.325 19.351 19.000 0.043 0.000 1.159 66 A HN 0.850 nan 8.150 nan 0.000 0.526 67 G N 1.071 109.898 108.800 0.045 0.000 2.537 67 G HA2 0.581 4.541 3.960 -0.000 0.000 0.297 67 G HA3 0.581 4.541 3.960 -0.000 0.000 0.297 67 G C -0.467 174.449 174.900 0.027 0.000 1.310 67 G CA -0.493 44.630 45.100 0.037 0.000 1.027 67 G HN 0.700 nan 8.290 nan 0.000 0.505 68 E N -0.962 119.249 120.200 0.019 0.000 2.272 68 E HA 0.440 4.790 4.350 -0.000 0.000 0.269 68 E C -0.554 176.050 176.600 0.006 0.000 0.877 68 E CA -0.473 55.931 56.400 0.006 0.000 0.755 68 E CB 2.486 32.185 29.700 -0.001 0.000 1.192 68 E HN 0.573 nan 8.360 nan 0.000 0.422 69 I N -1.305 119.264 120.570 -0.001 0.000 2.957 69 I HA 0.631 4.801 4.170 -0.000 0.000 0.310 69 I C 0.074 176.185 176.117 -0.010 0.000 1.063 69 I CA -0.851 60.450 61.300 0.001 0.000 1.033 69 I CB 1.971 39.975 38.000 0.006 0.000 1.230 69 I HN 0.441 nan 8.210 nan 0.000 0.447 70 S N 1.640 117.337 115.700 -0.005 0.000 2.693 70 S HA 0.549 5.019 4.470 -0.000 0.000 0.276 70 S C -2.018 172.574 174.600 -0.014 0.000 1.192 70 S CA -1.146 57.048 58.200 -0.011 0.000 0.994 70 S CB 1.116 64.314 63.200 -0.004 0.000 1.012 70 S HN 0.589 nan 8.310 nan 0.000 0.550 71 P HA -0.086 nan 4.420 nan 0.000 0.216 71 P C 1.237 178.532 177.300 -0.008 0.000 1.150 71 P CA 1.212 64.301 63.100 -0.018 0.000 0.837 71 P CB -0.022 31.666 31.700 -0.020 0.000 0.786 72 Q N -0.504 119.294 119.800 -0.003 0.000 2.084 72 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 72 Q C 2.290 178.296 176.000 0.011 0.000 0.978 72 Q CA 1.574 57.380 55.803 0.004 0.000 0.844 72 Q CB -0.918 27.823 28.738 0.005 0.000 0.898 72 Q HN 0.407 nan 8.270 nan 0.000 0.426 73 Q N -0.273 119.533 119.800 0.011 0.000 2.119 73 Q HA -0.104 4.236 4.340 -0.000 0.000 0.201 73 Q C 2.143 178.155 176.000 0.020 0.000 0.972 73 Q CA 0.983 56.797 55.803 0.018 0.000 0.847 73 Q CB -0.110 28.639 28.738 0.018 0.000 0.903 73 Q HN 0.276 nan 8.270 nan 0.000 0.433 74 R N 0.874 121.379 120.500 0.009 0.000 2.073 74 R HA -0.176 4.164 4.340 -0.000 0.000 0.234 74 R C 1.163 177.476 176.300 0.021 0.000 1.134 74 R CA 1.849 57.954 56.100 0.009 0.000 0.952 74 R CB -0.054 30.240 30.300 -0.011 0.000 0.850 74 R HN 0.216 nan 8.270 nan 0.000 0.433 75 D N 0.444 120.854 120.400 0.016 0.000 2.178 75 D HA -0.117 4.523 4.640 -0.000 0.000 0.201 75 D C 1.672 177.992 176.300 0.033 0.000 0.980 75 D CA 1.424 55.436 54.000 0.020 0.000 0.842 75 D CB -0.195 40.612 40.800 0.011 0.000 0.948 75 D HN 0.414 nan 8.370 nan 0.000 0.472 76 A N 0.104 122.945 122.820 0.034 0.000 2.067 76 A HA -0.029 4.291 4.320 -0.000 0.000 0.219 76 A C 2.147 179.769 177.584 0.062 0.000 1.158 76 A CA 0.717 52.779 52.037 0.042 0.000 0.661 76 A CB -0.342 18.680 19.000 0.037 0.000 0.801 76 A HN 0.224 nan 8.150 nan 0.000 0.452 77 L N -1.244 120.023 121.223 0.072 0.000 2.616 77 L HA 0.283 4.623 4.340 -0.000 0.000 0.229 77 L C 1.246 178.217 176.870 0.167 0.000 1.110 77 L CA -0.033 54.871 54.840 0.107 0.000 0.884 77 L CB -0.035 42.071 42.059 0.078 0.000 1.115 77 L HN 0.330 nan 8.230 nan 0.000 0.481 78 A N 0.656 123.552 122.820 0.126 0.000 2.351 78 A HA 0.476 4.796 4.320 -0.000 0.000 0.257 78 A C -0.081 177.565 177.584 0.104 0.000 1.087 78 A CA -0.369 51.753 52.037 0.141 0.000 0.798 78 A CB 0.259 19.299 19.000 0.067 0.000 1.033 78 A HN 0.127 nan 8.150 nan 0.000 0.488 79 L N 0.862 122.105 121.223 0.033 0.000 2.417 79 L HA 0.210 4.550 4.340 -0.000 0.000 0.268 79 L C 0.532 177.378 176.870 -0.039 0.000 1.158 79 L CA -0.084 54.712 54.840 -0.073 0.000 0.819 79 L CB 0.856 42.776 42.059 -0.232 0.000 1.112 79 L HN 0.690 nan 8.230 nan 0.000 0.458 80 T N 4.789 119.322 114.554 -0.036 0.000 2.738 80 T HA 0.503 4.853 4.350 -0.000 0.000 0.294 80 T C -0.467 174.207 174.700 -0.043 0.000 0.914 80 T CA -0.053 62.030 62.100 -0.029 0.000 1.052 80 T CB 0.043 68.898 68.868 -0.022 0.000 0.897 80 T HN 0.259 nan 8.240 nan 0.000 0.522 81 L N 3.551 124.750 121.223 -0.040 0.000 2.643 81 L HA 0.404 4.744 4.340 -0.000 0.000 0.257 81 L C -1.611 175.240 176.870 -0.031 0.000 0.922 81 L CA -0.671 54.143 54.840 -0.044 0.000 0.909 81 L CB 2.247 44.267 42.059 -0.064 0.000 1.424 81 L HN 0.314 nan 8.230 nan 0.000 0.422 82 D N 2.530 122.915 120.400 -0.024 0.000 2.352 82 D HA 0.553 5.193 4.640 -0.000 0.000 0.245 82 D C -0.559 175.737 176.300 -0.007 0.000 1.224 82 D CA 0.761 54.753 54.000 -0.013 0.000 0.879 82 D CB 0.579 41.374 40.800 -0.009 0.000 1.057 82 D HN 0.689 nan 8.370 nan 0.000 0.491 83 S N 1.314 117.009 115.700 -0.007 0.000 2.705 83 S HA 0.532 5.002 4.470 -0.000 0.000 0.280 83 S C -0.963 173.638 174.600 0.001 0.000 1.174 83 S CA -0.938 57.260 58.200 -0.003 0.000 0.823 83 S CB 1.133 64.316 63.200 -0.029 0.000 1.162 83 S HN 0.033 nan 8.310 nan 0.000 0.487 84 V N 1.877 121.786 119.914 -0.007 0.000 2.320 84 V HA 0.487 4.606 4.120 -0.000 0.000 0.265 84 V C 0.354 176.403 176.094 -0.075 0.000 1.048 84 V CA -0.397 61.891 62.300 -0.021 0.000 0.865 84 V CB 0.192 32.015 31.823 -0.000 0.000 1.043 84 V HN 0.799 nan 8.190 nan 0.000 0.474 85 R N 5.518 125.988 120.500 -0.051 0.000 2.255 85 R HA 0.607 4.947 4.340 -0.000 0.000 0.326 85 R C -1.173 175.087 176.300 -0.067 0.000 0.986 85 R CA -0.590 55.473 56.100 -0.061 0.000 0.847 85 R CB 0.855 31.127 30.300 -0.047 0.000 1.111 85 R HN 0.642 nan 8.270 nan 0.000 0.452 86 L N 5.035 126.211 121.223 -0.079 0.000 2.296 86 L HA 0.479 4.819 4.340 -0.000 0.000 0.286 86 L C -0.627 176.089 176.870 -0.257 0.000 1.023 86 L CA -1.105 53.662 54.840 -0.123 0.000 0.812 86 L CB 1.898 43.912 42.059 -0.075 0.000 1.223 86 L HN 0.358 nan 8.230 nan 0.000 0.421 87 V N 3.459 123.130 119.914 -0.405 0.000 2.459 87 V HA 0.472 4.592 4.120 -0.000 0.000 0.295 87 V C -0.637 175.097 176.094 -0.600 0.000 1.029 87 V CA -0.406 61.674 62.300 -0.367 0.000 0.874 87 V CB 1.650 33.342 31.823 -0.218 0.000 0.985 87 V HN 0.379 nan 8.190 nan 0.000 0.438 88 F N 3.350 123.255 119.950 -0.074 0.000 2.493 88 F HA 0.674 5.201 4.527 0.000 0.000 0.329 88 F C -0.148 175.716 175.800 0.106 0.000 1.126 88 F CA -0.884 57.155 58.000 0.065 0.000 0.937 88 F CB 2.046 41.101 39.000 0.091 0.000 1.146 88 F HN 0.145 nan 8.300 nan 0.000 0.442 89 V N 2.906 122.981 119.914 0.268 0.000 2.444 89 V HA 0.283 4.403 4.120 -0.000 0.000 0.294 89 V C -0.659 175.565 176.094 0.216 0.000 1.022 89 V CA -1.117 61.300 62.300 0.195 0.000 0.850 89 V CB 1.439 33.306 31.823 0.073 0.000 0.992 89 V HN 0.794 nan 8.190 nan 0.000 0.426 90 D N 4.506 125.043 120.400 0.228 0.000 2.697 90 D HA -0.197 4.443 4.640 -0.000 0.000 0.235 90 D C 1.302 177.618 176.300 0.026 0.000 1.167 90 D CA 1.657 55.730 54.000 0.121 0.000 0.656 90 D CB -0.973 39.871 40.800 0.073 0.000 1.025 90 D HN 1.425 nan 8.370 nan 0.000 0.419 91 G N -0.402 108.346 108.800 -0.088 0.000 2.179 91 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.260 91 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.260 91 G C 0.290 175.216 174.900 0.042 0.000 0.977 91 G CA 0.471 45.359 45.100 -0.353 0.000 0.641 91 G HN 0.556 nan 8.290 nan 0.000 0.533 92 R N -0.768 119.867 120.500 0.226 0.000 2.621 92 R HA 0.489 4.829 4.340 -0.000 0.000 0.292 92 R C -0.439 176.057 176.300 0.328 0.000 0.969 92 R CA -1.016 55.231 56.100 0.246 0.000 0.887 92 R CB 1.578 31.951 30.300 0.122 0.000 1.180 92 R HN 0.198 nan 8.270 nan 0.000 0.450 93 Y N 2.472 122.897 120.300 0.208 0.000 2.511 93 Y HA 0.123 4.673 4.550 -0.000 0.000 0.332 93 Y C -0.528 175.299 175.900 -0.121 0.000 1.177 93 Y CA -0.021 58.028 58.100 -0.086 0.000 1.422 93 Y CB 0.817 39.256 38.460 -0.035 0.000 1.271 93 Y HN 0.248 nan 8.280 nan 0.000 0.550 94 V N 10.025 129.477 119.914 -0.771 0.000 2.305 94 V HA 0.202 4.322 4.120 -0.000 0.000 0.275 94 V C -1.827 173.741 176.094 -0.877 0.000 1.020 94 V CA -1.454 60.468 62.300 -0.630 0.000 0.811 94 V CB 1.128 32.758 31.823 -0.321 0.000 1.031 94 V HN 0.714 nan 8.190 nan 0.000 0.439 95 P HA -0.187 nan 4.420 nan 0.000 0.216 95 P C 1.629 178.745 177.300 -0.307 0.000 1.153 95 P CA 1.865 64.605 63.100 -0.601 0.000 0.858 95 P CB 0.319 31.842 31.700 -0.294 0.000 0.789 96 A N -1.094 121.585 122.820 -0.236 0.000 2.070 96 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 96 A C 2.026 179.527 177.584 -0.138 0.000 1.159 96 A CA 1.267 53.217 52.037 -0.147 0.000 0.656 96 A CB -1.389 17.543 19.000 -0.113 0.000 0.800 96 A HN 0.190 nan 8.150 nan 0.000 0.453 97 L N -0.702 120.410 121.223 -0.185 0.000 2.693 97 L HA 0.158 4.498 4.340 -0.000 0.000 0.235 97 L C 0.175 176.956 176.870 -0.148 0.000 1.127 97 L CA -0.243 54.509 54.840 -0.147 0.000 0.914 97 L CB 0.357 42.327 42.059 -0.148 0.000 1.193 97 L HN 0.129 nan 8.230 nan 0.000 0.502 98 S N -0.888 114.707 115.700 -0.175 0.000 2.651 98 S HA 0.335 4.805 4.470 -0.000 0.000 0.291 98 S C -0.547 174.022 174.600 -0.052 0.000 1.141 98 S CA -0.813 57.317 58.200 -0.117 0.000 1.027 98 S CB 1.677 64.820 63.200 -0.095 0.000 1.043 98 S HN 0.004 nan 8.310 nan 0.000 0.530 99 D N 1.580 121.964 120.400 -0.025 0.000 2.339 99 D HA 0.452 5.092 4.640 -0.000 0.000 0.245 99 D C 0.137 176.449 176.300 0.020 0.000 1.115 99 D CA -0.140 53.857 54.000 -0.005 0.000 0.917 99 D CB 0.771 41.569 40.800 -0.004 0.000 1.192 99 D HN 0.609 nan 8.370 nan 0.000 0.428 100 A N 0.693 123.527 122.820 0.023 0.000 2.477 100 A HA 0.313 4.633 4.320 -0.000 0.000 0.246 100 A C 1.192 178.806 177.584 0.050 0.000 1.078 100 A CA -0.008 52.051 52.037 0.038 0.000 0.770 100 A CB 0.090 19.108 19.000 0.029 0.000 1.011 100 A HN 0.625 nan 8.150 nan 0.000 0.494 101 T N -0.460 114.130 114.554 0.061 0.000 3.014 101 T HA 0.136 4.486 4.350 -0.000 0.000 0.250 101 T C 0.587 175.338 174.700 0.085 0.000 1.060 101 T CA 0.429 62.580 62.100 0.084 0.000 1.040 101 T CB -0.309 68.610 68.868 0.084 0.000 0.971 101 T HN 0.752 nan 8.240 nan 0.000 0.497 102 E N 1.357 121.593 120.200 0.061 0.000 2.480 102 E HA 0.329 4.679 4.350 -0.000 0.000 0.258 102 E C 1.258 177.884 176.600 0.043 0.000 0.984 102 E CA 0.819 57.248 56.400 0.048 0.000 0.930 102 E CB -0.425 29.297 29.700 0.037 0.000 0.936 102 E HN 0.545 nan 8.360 nan 0.000 0.466 103 G N 3.100 111.921 108.800 0.035 0.000 2.162 103 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.260 103 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.260 103 G C 0.821 175.736 174.900 0.025 0.000 0.976 103 G CA 0.847 45.960 45.100 0.022 0.000 0.655 103 G HN 0.748 nan 8.290 nan 0.000 0.533 104 S N -1.023 114.710 115.700 0.055 0.000 2.496 104 S HA 0.410 4.880 4.470 -0.000 0.000 0.224 104 S C 2.253 176.836 174.600 -0.028 0.000 0.996 104 S CA 1.472 59.722 58.200 0.083 0.000 0.927 104 S CB 0.298 63.630 63.200 0.220 0.000 0.774 104 S HN 2.352 nan 8.310 nan 0.000 0.524 105 G N -0.305 108.444 108.800 -0.084 0.000 2.195 105 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.224 105 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.224 105 G C -0.237 174.450 174.900 -0.355 0.000 0.990 105 G CA -0.065 44.885 45.100 -0.249 0.000 0.639 105 G HN 0.560 nan 8.290 nan 0.000 0.514 106 Y N 1.525 121.842 120.300 0.029 0.000 2.334 106 Y HA 0.586 5.136 4.550 -0.000 0.000 0.336 106 Y C 0.118 176.037 175.900 0.033 0.000 0.960 106 Y CA -1.029 57.093 58.100 0.036 0.000 1.164 106 Y CB 1.310 39.792 38.460 0.036 0.000 1.155 106 Y HN -0.044 nan 8.280 nan 0.000 0.478 107 E N 3.718 124.017 120.200 0.165 0.000 2.152 107 E HA 0.315 4.665 4.350 -0.000 0.000 0.285 107 E C -0.940 175.733 176.600 0.123 0.000 1.043 107 E CA -0.255 56.213 56.400 0.114 0.000 0.839 107 E CB 1.549 31.299 29.700 0.084 0.000 1.069 107 E HN 0.326 nan 8.360 nan 0.000 0.399 108 V N 2.402 122.371 119.914 0.092 0.000 2.588 108 V HA 0.403 4.523 4.120 -0.000 0.000 0.304 108 V C -0.203 175.913 176.094 0.037 0.000 1.042 108 V CA -0.657 61.679 62.300 0.061 0.000 0.877 108 V CB 2.114 33.946 31.823 0.015 0.000 0.996 108 V HN 0.513 nan 8.190 nan 0.000 0.425 109 S N 5.217 120.954 115.700 0.062 0.000 2.571 109 S HA 0.654 5.124 4.470 -0.000 0.000 0.284 109 S C -0.709 173.940 174.600 0.081 0.000 1.128 109 S CA -0.461 57.777 58.200 0.063 0.000 0.970 109 S CB 1.532 64.782 63.200 0.085 0.000 1.039 109 S HN 0.534 nan 8.310 nan 0.000 0.485 110 I N 4.549 125.114 120.570 -0.010 0.000 2.328 110 I HA 0.422 4.592 4.170 -0.000 0.000 0.287 110 I C -0.367 175.800 176.117 0.084 0.000 1.012 110 I CA -0.386 60.904 61.300 -0.017 0.000 1.195 110 I CB 0.725 38.610 38.000 -0.192 0.000 1.350 110 I HN 0.787 nan 8.210 nan 0.000 0.464 111 N N 3.083 121.866 118.700 0.137 0.000 3.277 111 N HA 0.232 4.972 4.740 -0.000 0.000 0.278 111 N C -0.813 174.777 175.510 0.133 0.000 1.544 111 N CA -0.698 52.433 53.050 0.135 0.000 0.869 111 N CB 0.845 39.415 38.487 0.138 0.000 1.584 111 N HN 0.172 nan 8.380 nan 0.000 0.564 112 D N -1.247 119.217 120.400 0.107 0.000 2.501 112 D HA 0.169 4.809 4.640 -0.000 0.000 0.226 112 D C -1.139 175.224 176.300 0.105 0.000 1.198 112 D CA -0.095 53.956 54.000 0.085 0.000 0.830 112 D CB -0.175 40.649 40.800 0.040 0.000 1.014 112 D HN 0.493 nan 8.370 nan 0.000 0.496 113 D N 0.196 120.688 120.400 0.154 0.000 2.325 113 D HA 0.139 4.779 4.640 -0.000 0.000 0.251 113 D C 0.530 176.919 176.300 0.149 0.000 1.196 113 D CA 0.009 54.066 54.000 0.094 0.000 0.866 113 D CB 0.550 41.357 40.800 0.012 0.000 1.101 113 D HN 0.050 nan 8.370 nan 0.000 0.476 114 R N 2.595 123.152 120.500 0.095 0.000 2.543 114 R HA 0.042 4.382 4.340 -0.000 0.000 0.323 114 R C 1.641 177.969 176.300 0.047 0.000 1.002 114 R CA -0.034 56.126 56.100 0.099 0.000 1.106 114 R CB 0.398 30.743 30.300 0.076 0.000 1.280 114 R HN 0.557 nan 8.270 nan 0.000 0.549 115 Q N 0.025 119.837 119.800 0.020 0.000 2.181 115 Q HA -0.094 4.246 4.340 -0.000 0.000 0.205 115 Q C 1.425 177.418 176.000 -0.011 0.000 0.980 115 Q CA 1.815 57.619 55.803 0.002 0.000 0.862 115 Q CB -0.201 28.532 28.738 -0.008 0.000 0.905 115 Q HN 0.247 nan 8.270 nan 0.000 0.429 116 G N 1.024 109.809 108.800 -0.025 0.000 3.042 116 G HA2 0.226 4.186 3.960 -0.000 0.000 0.212 116 G HA3 0.226 4.186 3.960 -0.000 0.000 0.212 116 G C 0.255 175.101 174.900 -0.090 0.000 1.166 116 G CA -0.469 44.605 45.100 -0.044 0.000 0.767 116 G HN 0.113 nan 8.290 nan 0.000 0.546 117 L N 2.270 123.437 121.223 -0.093 0.000 2.380 117 L HA 0.272 4.612 4.340 -0.000 0.000 0.273 117 L C -1.473 175.344 176.870 -0.089 0.000 1.138 117 L CA -1.670 53.061 54.840 -0.181 0.000 0.832 117 L CB 0.769 42.766 42.059 -0.103 0.000 1.124 117 L HN 0.028 nan 8.230 nan 0.000 0.454 118 P HA 0.129 nan 4.420 nan 0.000 0.274 118 P C -0.981 176.336 177.300 0.028 0.000 1.246 118 P CA -0.569 62.535 63.100 0.007 0.000 0.795 118 P CB 0.627 32.363 31.700 0.059 0.000 1.006 119 D N -0.452 119.968 120.400 0.033 0.000 2.368 119 D HA 0.257 4.897 4.640 -0.000 0.000 0.240 119 D C 0.364 176.681 176.300 0.028 0.000 1.169 119 D CA 0.166 54.188 54.000 0.037 0.000 0.906 119 D CB 0.395 41.209 40.800 0.024 0.000 1.187 119 D HN 0.420 nan 8.370 nan 0.000 0.435 120 A N 1.526 124.359 122.820 0.022 0.000 2.462 120 A HA 0.129 4.449 4.320 -0.000 0.000 0.243 120 A C 1.490 179.026 177.584 -0.080 0.000 1.076 120 A CA -0.227 51.777 52.037 -0.054 0.000 0.773 120 A CB 0.029 18.976 19.000 -0.089 0.000 1.010 120 A HN 0.620 nan 8.150 nan 0.000 0.493 121 I N 0.158 120.658 120.570 -0.117 0.000 2.233 121 I HA -0.101 4.069 4.170 -0.000 0.000 0.243 121 I C 1.501 177.448 176.117 -0.282 0.000 1.093 121 I CA 1.187 62.421 61.300 -0.110 0.000 1.380 121 I CB 0.093 38.060 38.000 -0.055 0.000 1.067 121 I HN 0.724 nan 8.210 nan 0.000 0.413 122 Q N 1.486 121.011 119.800 -0.457 0.000 2.616 122 Q HA 0.457 4.797 4.340 -0.000 0.000 0.250 122 Q C -0.944 174.788 176.000 -0.447 0.000 0.991 122 Q CA -0.556 54.842 55.803 -0.675 0.000 0.707 122 Q CB 1.432 29.502 28.738 -1.115 0.000 1.247 122 Q HN 0.304 nan 8.270 nan 0.000 0.491 123 A N 3.491 126.134 122.820 -0.296 0.000 2.498 123 A HA 0.378 4.698 4.320 -0.000 0.000 0.239 123 A C -0.315 177.157 177.584 -0.187 0.000 1.068 123 A CA 0.287 52.174 52.037 -0.250 0.000 0.766 123 A CB 0.259 19.274 19.000 0.025 0.000 1.003 123 A HN 0.821 nan 8.150 nan 0.000 0.497 124 E N 0.468 120.489 120.200 -0.297 0.000 2.401 124 E HA 0.339 4.689 4.350 -0.000 0.000 0.280 124 E C 0.021 176.583 176.600 -0.065 0.000 1.039 124 E CA -0.266 56.112 56.400 -0.037 0.000 0.814 124 E CB 0.658 30.427 29.700 0.116 0.000 1.275 124 E HN 0.717 nan 8.360 nan 0.000 0.448 125 V N 0.829 120.798 119.914 0.092 0.000 2.250 125 V HA -0.280 3.840 4.120 -0.000 0.000 0.253 125 V C 1.268 177.263 176.094 -0.166 0.000 1.065 125 V CA 2.309 64.588 62.300 -0.035 0.000 1.039 125 V CB -0.569 31.133 31.823 -0.202 0.000 0.647 125 V HN 0.742 nan 8.190 nan 0.000 0.446 126 F N -0.758 119.258 119.950 0.109 0.000 2.407 126 F HA 0.016 4.543 4.527 -0.000 0.000 0.299 126 F C 2.052 177.847 175.800 -0.008 0.000 1.097 126 F CA 1.542 59.591 58.000 0.082 0.000 1.422 126 F CB -0.229 38.940 39.000 0.282 0.000 1.067 126 F HN 0.194 nan 8.300 nan 0.000 0.539 127 L N -0.592 120.660 121.223 0.048 0.000 2.056 127 L HA -0.222 4.118 4.340 -0.000 0.000 0.207 127 L C 2.659 179.380 176.870 -0.247 0.000 1.078 127 L CA 1.569 56.309 54.840 -0.166 0.000 0.749 127 L CB -0.493 41.317 42.059 -0.415 0.000 0.901 127 L HN 0.131 nan 8.230 nan 0.000 0.433 128 H N -0.434 118.583 119.070 -0.089 0.000 2.387 128 H HA -0.162 4.394 4.556 -0.000 0.000 0.299 128 H C 2.123 177.339 175.328 -0.185 0.000 1.090 128 H CA 1.754 57.753 56.048 -0.082 0.000 1.332 128 H CB -0.262 29.487 29.762 -0.023 0.000 1.386 128 H HN 0.343 nan 8.280 nan 0.000 0.516 129 L N 0.679 121.817 121.223 -0.140 0.000 2.017 129 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 129 L C 2.228 178.843 176.870 -0.426 0.000 1.073 129 L CA 1.803 56.442 54.840 -0.335 0.000 0.745 129 L CB -0.841 40.910 42.059 -0.514 0.000 0.894 129 L HN 0.081 nan 8.230 nan 0.000 0.432 130 T N -0.464 113.921 114.554 -0.282 0.000 2.777 130 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 130 T C 1.726 176.310 174.700 -0.193 0.000 1.040 130 T CA 1.365 63.346 62.100 -0.199 0.000 1.141 130 T CB -0.192 68.692 68.868 0.027 0.000 0.868 130 T HN 0.385 nan 8.240 nan 0.000 0.444 131 E N 1.467 121.526 120.200 -0.234 0.000 2.077 131 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 131 E C 2.698 179.235 176.600 -0.105 0.000 0.989 131 E CA 1.566 57.803 56.400 -0.272 0.000 0.800 131 E CB -0.418 28.853 29.700 -0.715 0.000 0.746 131 E HN 0.636 nan 8.360 nan 0.000 0.452 132 S N 0.607 116.268 115.700 -0.064 0.000 2.368 132 S HA -0.057 4.413 4.470 -0.000 0.000 0.224 132 S C 2.142 176.844 174.600 0.169 0.000 1.029 132 S CA 0.722 58.983 58.200 0.101 0.000 0.988 132 S CB -0.391 62.782 63.200 -0.044 0.000 0.838 132 S HN 0.170 nan 8.310 nan 0.000 0.462 133 L N 1.253 122.446 121.223 -0.050 0.000 2.375 133 L HA 0.356 4.696 4.340 -0.000 0.000 0.215 133 L C 1.509 178.351 176.870 -0.047 0.000 1.108 133 L CA 0.128 54.932 54.840 -0.059 0.000 0.830 133 L CB -0.672 41.230 42.059 -0.263 0.000 0.959 133 L HN 0.354 nan 8.230 nan 0.000 0.457 134 A N 0.263 123.046 122.820 -0.061 0.000 2.567 134 A HA -0.046 4.274 4.320 -0.000 0.000 0.240 134 A C 1.014 178.571 177.584 -0.046 0.000 1.053 134 A CA 0.148 52.149 52.037 -0.059 0.000 0.755 134 A CB 0.243 19.191 19.000 -0.087 0.000 0.978 134 A HN 0.388 nan 8.150 nan 0.000 0.507 135 Q N 0.629 120.404 119.800 -0.041 0.000 2.424 135 Q HA 0.075 4.415 4.340 -0.000 0.000 0.204 135 Q C 0.436 176.434 176.000 -0.004 0.000 0.933 135 Q CA 0.937 56.727 55.803 -0.022 0.000 0.929 135 Q CB 0.109 28.841 28.738 -0.009 0.000 1.037 135 Q HN 0.966 nan 8.270 nan 0.000 0.511 136 S N -1.994 113.702 115.700 -0.007 0.000 2.615 136 S HA 0.595 5.064 4.470 -0.000 0.000 0.269 136 S C -1.014 173.550 174.600 -0.060 0.000 1.161 136 S CA -1.021 57.181 58.200 0.003 0.000 0.817 136 S CB 1.758 64.994 63.200 0.061 0.000 1.131 136 S HN -0.121 nan 8.310 nan 0.000 0.467 137 V N 1.435 121.283 119.914 -0.110 0.000 2.540 137 V HA 0.550 4.670 4.120 -0.000 0.000 0.302 137 V C -0.271 175.628 176.094 -0.324 0.000 1.035 137 V CA -0.579 61.556 62.300 -0.275 0.000 0.873 137 V CB 1.971 33.537 31.823 -0.428 0.000 0.992 137 V HN 1.023 nan 8.190 nan 0.000 0.428 138 T N 4.488 118.920 114.554 -0.204 0.000 2.782 138 T HA 0.271 4.620 4.350 -0.000 0.000 0.298 138 T C -0.065 174.540 174.700 -0.158 0.000 0.944 138 T CA -0.186 61.865 62.100 -0.081 0.000 1.001 138 T CB -0.628 68.344 68.868 0.173 0.000 0.932 138 T HN 0.537 nan 8.240 nan 0.000 0.524 139 H N 4.085 123.175 119.070 0.034 0.000 2.864 139 H HA 0.330 4.886 4.556 -0.000 0.000 0.281 139 H C 0.095 175.458 175.328 0.059 0.000 1.093 139 H CA -0.217 55.870 56.048 0.066 0.000 1.453 139 H CB 0.382 30.177 29.762 0.055 0.000 1.462 139 H HN 0.499 nan 8.280 nan 0.000 0.480 140 I N 2.210 122.883 120.570 0.173 0.000 2.474 140 I HA 0.557 4.727 4.170 -0.000 0.000 0.294 140 I C -0.083 176.143 176.117 0.181 0.000 1.005 140 I CA -0.749 60.639 61.300 0.146 0.000 1.113 140 I CB 2.030 40.087 38.000 0.095 0.000 1.289 140 I HN 0.518 nan 8.210 nan 0.000 0.436 141 A N 5.142 128.070 122.820 0.180 0.000 2.488 141 A HA 0.822 5.142 4.320 -0.000 0.000 0.298 141 A C -1.339 176.329 177.584 0.140 0.000 1.044 141 A CA -0.550 51.580 52.037 0.156 0.000 0.693 141 A CB 1.764 20.840 19.000 0.127 0.000 1.272 141 A HN 0.392 nan 8.150 nan 0.000 0.402 142 V N 3.177 123.156 119.914 0.109 0.000 2.409 142 V HA 0.308 4.428 4.120 -0.000 0.000 0.291 142 V C 0.185 176.297 176.094 0.030 0.000 1.020 142 V CA -0.663 61.660 62.300 0.038 0.000 0.848 142 V CB 1.364 33.198 31.823 0.019 0.000 0.990 142 V HN 0.940 nan 8.190 nan 0.000 0.430 143 K N 2.746 123.151 120.400 0.009 0.000 2.180 143 K HA 0.344 4.664 4.320 -0.000 0.000 0.251 143 K C 0.534 177.141 176.600 0.011 0.000 1.014 143 K CA -0.701 55.595 56.287 0.015 0.000 0.913 143 K CB 0.823 33.328 32.500 0.008 0.000 1.008 143 K HN 0.599 nan 8.250 nan 0.000 0.490 144 R N 0.603 121.113 120.500 0.017 0.000 2.481 144 R HA -0.162 4.178 4.340 -0.000 0.000 0.291 144 R C 0.605 176.910 176.300 0.008 0.000 0.934 144 R CA 1.360 57.470 56.100 0.017 0.000 1.116 144 R CB -0.562 29.748 30.300 0.017 0.000 0.895 144 R HN 0.908 nan 8.270 nan 0.000 0.410 145 G N 2.839 111.645 108.800 0.010 0.000 2.186 145 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.266 145 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.266 145 G C -0.151 174.743 174.900 -0.010 0.000 0.982 145 G CA 0.460 45.562 45.100 0.004 0.000 0.670 145 G HN 0.617 nan 8.290 nan 0.000 0.533 146 Q N -0.184 119.604 119.800 -0.020 0.000 2.293 146 Q HA 0.531 4.871 4.340 -0.000 0.000 0.251 146 Q C 0.637 176.601 176.000 -0.060 0.000 0.930 146 Q CA 0.064 55.839 55.803 -0.047 0.000 0.893 146 Q CB 0.815 29.513 28.738 -0.067 0.000 1.215 146 Q HN 0.564 nan 8.270 nan 0.000 0.425 147 R N 2.488 122.943 120.500 -0.076 0.000 2.513 147 R HA 0.347 4.687 4.340 -0.000 0.000 0.283 147 R C -2.287 173.946 176.300 -0.111 0.000 1.535 147 R CA -1.672 54.381 56.100 -0.079 0.000 1.315 147 R CB 0.801 31.069 30.300 -0.054 0.000 1.163 147 R HN 0.356 nan 8.270 nan 0.000 0.573 148 P HA -0.058 nan 4.420 nan 0.000 0.265 148 P C 0.455 177.707 177.300 -0.080 0.000 1.187 148 P CA 0.226 63.183 63.100 -0.239 0.000 0.766 148 P CB 0.921 32.251 31.700 -0.616 0.000 0.820 149 A N 3.705 126.501 122.820 -0.039 0.000 1.968 149 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 149 A C 0.745 178.348 177.584 0.032 0.000 1.169 149 A CA 1.337 53.372 52.037 -0.004 0.000 0.638 149 A CB -0.284 18.714 19.000 -0.003 0.000 0.812 149 A HN 0.533 nan 8.150 nan 0.000 0.446 150 K N 0.079 120.531 120.400 0.086 0.000 2.259 150 K HA 0.436 4.756 4.320 -0.000 0.000 0.249 150 K C -2.922 173.798 176.600 0.199 0.000 0.942 150 K CA -2.402 53.951 56.287 0.110 0.000 0.816 150 K CB 1.750 34.309 32.500 0.099 0.000 1.155 150 K HN 0.047 nan 8.250 nan 0.000 0.428 151 P HA 0.033 nan 4.420 nan 0.000 0.272 151 P C -0.948 176.365 177.300 0.022 0.000 1.223 151 P CA -0.569 62.603 63.100 0.119 0.000 0.784 151 P CB 0.610 32.335 31.700 0.041 0.000 0.923 152 L N 3.442 124.590 121.223 -0.125 0.000 2.276 152 L HA 0.391 4.731 4.340 -0.000 0.000 0.286 152 L C -0.765 176.006 176.870 -0.165 0.000 1.061 152 L CA -0.572 54.040 54.840 -0.380 0.000 0.807 152 L CB 0.209 41.796 42.059 -0.788 0.000 1.177 152 L HN 0.204 nan 8.230 nan 0.000 0.429 153 L N 6.467 127.609 121.223 -0.135 0.000 2.305 153 L HA 0.516 4.856 4.340 -0.000 0.000 0.284 153 L C -1.256 175.569 176.870 -0.075 0.000 1.013 153 L CA -0.203 54.589 54.840 -0.080 0.000 0.819 153 L CB 1.247 43.268 42.059 -0.064 0.000 1.227 153 L HN 0.565 nan 8.230 nan 0.000 0.417 154 L N 6.334 127.514 121.223 -0.072 0.000 2.272 154 L HA 0.454 4.794 4.340 -0.000 0.000 0.284 154 L C -0.034 176.690 176.870 -0.244 0.000 1.045 154 L CA -0.068 54.687 54.840 -0.143 0.000 0.842 154 L CB 0.952 42.824 42.059 -0.313 0.000 1.224 154 L HN 0.680 nan 8.230 nan 0.000 0.430 155 M N 3.687 123.188 119.600 -0.165 0.000 2.113 155 M HA 0.342 4.821 4.480 -0.000 0.000 0.352 155 M C -1.181 174.948 176.300 -0.285 0.000 1.170 155 M CA -0.348 54.860 55.300 -0.154 0.000 1.053 155 M CB 0.541 33.126 32.600 -0.025 0.000 1.601 155 M HN 0.475 nan 8.290 nan 0.000 0.459 156 H N 5.579 124.445 119.070 -0.340 0.000 2.511 156 H HA 0.491 5.047 4.556 0.000 0.000 0.328 156 H C -1.060 174.147 175.328 -0.201 0.000 1.044 156 H CA -0.356 55.454 56.048 -0.398 0.000 1.212 156 H CB 0.840 30.007 29.762 -0.992 0.000 1.428 156 H HN 0.620 nan 8.280 nan 0.000 0.483 157 I N 3.418 124.021 120.570 0.056 0.000 2.382 157 I HA 0.272 4.442 4.170 -0.000 0.000 0.285 157 I C -0.341 175.833 176.117 0.096 0.000 1.007 157 I CA -0.307 61.025 61.300 0.054 0.000 1.142 157 I CB 1.390 39.409 38.000 0.031 0.000 1.289 157 I HN 0.540 nan 8.210 nan 0.000 0.453 158 T N 5.669 120.229 114.554 0.010 0.000 2.856 158 T HA 0.490 4.840 4.350 -0.000 0.000 0.283 158 T C -0.628 173.900 174.700 -0.288 0.000 1.008 158 T CA -0.768 61.247 62.100 -0.142 0.000 0.997 158 T CB 1.765 70.441 68.868 -0.321 0.000 0.992 158 T HN 0.632 nan 8.240 nan 0.000 0.454 159 Q N 1.110 120.829 119.800 -0.135 0.000 2.394 159 Q HA 0.769 5.109 4.340 -0.000 0.000 0.273 159 Q C -0.290 175.778 176.000 0.113 0.000 1.089 159 Q CA -1.307 54.503 55.803 0.012 0.000 0.812 159 Q CB 1.885 30.657 28.738 0.056 0.000 1.353 159 Q HN 0.711 nan 8.270 nan 0.000 0.438 160 G N 0.560 109.495 108.800 0.225 0.000 2.502 160 G HA2 0.528 4.488 3.960 -0.000 0.000 0.305 160 G HA3 0.528 4.488 3.960 -0.000 0.000 0.305 160 G C -0.216 174.771 174.900 0.145 0.000 1.190 160 G CA -0.374 44.863 45.100 0.228 0.000 0.933 160 G HN 0.737 nan 8.290 nan 0.000 0.503 161 V N -1.956 118.033 119.914 0.125 0.000 2.850 161 V HA 0.864 4.984 4.120 -0.000 0.000 0.315 161 V C 0.682 176.821 176.094 0.075 0.000 1.064 161 V CA -0.766 61.588 62.300 0.091 0.000 0.979 161 V CB 1.062 32.935 31.823 0.083 0.000 1.039 161 V HN 1.240 nan 8.190 nan 0.000 0.452 162 A N 1.579 124.435 122.820 0.059 0.000 2.425 162 A HA 0.749 5.069 4.320 -0.000 0.000 0.242 162 A C 1.043 178.649 177.584 0.038 0.000 1.077 162 A CA 0.691 52.757 52.037 0.048 0.000 0.781 162 A CB -0.461 18.563 19.000 0.040 0.000 1.020 162 A HN 2.928 nan 8.150 nan 0.000 0.494 163 G N 0.300 109.119 108.800 0.031 0.000 2.512 163 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.210 163 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.210 163 G C 0.232 175.140 174.900 0.013 0.000 1.295 163 G CA 0.192 45.303 45.100 0.019 0.000 0.934 163 G HN 0.669 nan 8.290 nan 0.000 0.554 164 E N 0.894 121.093 120.200 -0.002 0.000 2.447 164 E HA 0.092 4.442 4.350 -0.000 0.000 0.195 164 E C 1.028 177.602 176.600 -0.042 0.000 1.028 164 E CA 0.358 56.746 56.400 -0.020 0.000 0.876 164 E CB 0.208 29.890 29.700 -0.031 0.000 0.885 164 E HN 0.605 nan 8.360 nan 0.000 0.500 165 E N 0.722 120.905 120.200 -0.029 0.000 2.404 165 E HA 0.103 4.453 4.350 -0.000 0.000 0.261 165 E C -0.583 176.004 176.600 -0.022 0.000 1.074 165 E CA 0.008 56.382 56.400 -0.042 0.000 0.917 165 E CB 1.376 31.078 29.700 0.002 0.000 0.965 165 E HN -0.208 nan 8.360 nan 0.000 0.433 166 V N 3.639 123.511 119.914 -0.071 0.000 2.313 166 V HA 0.111 4.231 4.120 -0.000 0.000 0.278 166 V C -0.078 176.153 176.094 0.229 0.000 1.017 166 V CA -0.889 61.424 62.300 0.023 0.000 0.823 166 V CB 1.059 32.777 31.823 -0.175 0.000 1.010 166 V HN 0.565 nan 8.190 nan 0.000 0.443 167 N N 2.992 121.849 118.700 0.262 0.000 2.513 167 N HA 0.208 4.948 4.740 -0.000 0.000 0.268 167 N C -0.270 175.476 175.510 0.394 0.000 1.180 167 N CA 0.534 53.761 53.050 0.294 0.000 0.948 167 N CB 1.269 39.887 38.487 0.219 0.000 1.083 167 N HN 0.721 nan 8.380 nan 0.000 0.455 168 T N 1.397 116.175 114.554 0.374 0.000 2.861 168 T HA 0.795 5.145 4.350 -0.000 0.000 0.287 168 T C -1.542 173.209 174.700 0.086 0.000 1.003 168 T CA -0.613 61.684 62.100 0.327 0.000 0.977 168 T CB 0.515 69.731 68.868 0.580 0.000 0.996 168 T HN 0.560 nan 8.240 nan 0.000 0.448 169 A N 4.152 126.865 122.820 -0.178 0.000 2.398 169 A HA 0.718 5.038 4.320 -0.000 0.000 0.301 169 A C -1.234 175.911 177.584 -0.732 0.000 1.041 169 A CA -0.670 51.165 52.037 -0.335 0.000 0.711 169 A CB 1.129 19.961 19.000 -0.280 0.000 1.240 169 A HN 0.918 nan 8.150 nan 0.000 0.420 170 H N 1.468 120.247 119.070 -0.485 0.000 2.589 170 H HA 0.402 4.958 4.556 -0.000 0.000 0.335 170 H C -1.582 173.462 175.328 -0.473 0.000 1.019 170 H CA 0.106 55.911 56.048 -0.404 0.000 1.213 170 H CB 1.391 30.991 29.762 -0.270 0.000 1.472 170 H HN 0.669 nan 8.280 nan 0.000 0.508 171 Y N 1.682 121.940 120.300 -0.070 0.000 2.360 171 Y HA 0.413 4.963 4.550 -0.000 0.000 0.337 171 Y C 0.494 176.185 175.900 -0.348 0.000 1.039 171 Y CA -0.829 57.155 58.100 -0.193 0.000 1.109 171 Y CB 1.698 40.113 38.460 -0.075 0.000 1.201 171 Y HN 0.422 nan 8.280 nan 0.000 0.458 172 R N 2.708 122.950 120.500 -0.430 0.000 2.514 172 R HA 0.462 4.802 4.340 -0.000 0.000 0.296 172 R C -1.981 173.939 176.300 -0.633 0.000 1.012 172 R CA -0.511 55.340 56.100 -0.415 0.000 0.897 172 R CB 0.540 30.706 30.300 -0.222 0.000 1.184 172 R HN 0.722 nan 8.270 nan 0.000 0.440 173 H N 2.170 121.092 119.070 -0.247 0.000 2.895 173 H HA 0.374 4.929 4.556 -0.000 0.000 0.373 173 H C -1.084 174.031 175.328 -0.354 0.000 1.174 173 H CA -0.725 55.054 56.048 -0.448 0.000 1.144 173 H CB 2.122 31.364 29.762 -0.868 0.000 1.793 173 H HN 0.691 nan 8.280 nan 0.000 0.551 174 H N 1.078 120.018 119.070 -0.217 0.000 2.782 174 H HA 0.421 4.977 4.556 -0.000 0.000 0.347 174 H C -1.696 173.667 175.328 0.058 0.000 1.038 174 H CA -0.753 55.278 56.048 -0.029 0.000 1.255 174 H CB 1.320 31.102 29.762 0.034 0.000 1.623 174 H HN 0.387 nan 8.280 nan 0.000 0.525 175 L N 4.186 125.247 121.223 -0.270 0.000 2.333 175 L HA 0.439 4.779 4.340 -0.000 0.000 0.280 175 L C -1.162 175.615 176.870 -0.156 0.000 1.004 175 L CA -0.365 54.463 54.840 -0.020 0.000 0.820 175 L CB 1.740 43.973 42.059 0.290 0.000 1.247 175 L HN 0.822 nan 8.230 nan 0.000 0.416 176 D N 4.203 124.634 120.400 0.050 0.000 2.381 176 D HA 0.428 5.068 4.640 -0.000 0.000 0.235 176 D C -1.222 175.141 176.300 0.105 0.000 1.068 176 D CA -0.221 53.840 54.000 0.100 0.000 0.832 176 D CB 0.990 41.902 40.800 0.186 0.000 1.101 176 D HN 0.582 nan 8.370 nan 0.000 0.515 177 L N 3.632 124.909 121.223 0.090 0.000 2.264 177 L HA 0.588 4.927 4.340 -0.000 0.000 0.287 177 L C 0.694 177.610 176.870 0.076 0.000 1.039 177 L CA -0.874 54.019 54.840 0.088 0.000 0.829 177 L CB 1.207 43.321 42.059 0.091 0.000 1.211 177 L HN 0.487 nan 8.230 nan 0.000 0.427 178 A N 3.192 126.052 122.820 0.067 0.000 2.310 178 A HA 0.133 4.453 4.320 -0.000 0.000 0.260 178 A C 0.357 177.972 177.584 0.051 0.000 1.112 178 A CA -0.330 51.741 52.037 0.057 0.000 0.804 178 A CB 0.240 19.269 19.000 0.048 0.000 1.081 178 A HN 0.771 nan 8.150 nan 0.000 0.499 179 E N -0.464 119.763 120.200 0.044 0.000 2.529 179 E HA 0.247 4.597 4.350 -0.000 0.000 0.259 179 E C 1.228 177.851 176.600 0.038 0.000 0.966 179 E CA 1.012 57.436 56.400 0.041 0.000 0.937 179 E CB -0.163 29.558 29.700 0.034 0.000 0.923 179 E HN 1.553 nan 8.360 nan 0.000 0.468 180 G N 2.490 111.317 108.800 0.045 0.000 2.196 180 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.268 180 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.268 180 G C 0.311 175.237 174.900 0.043 0.000 0.975 180 G CA 0.300 45.426 45.100 0.043 0.000 0.648 180 G HN 0.887 nan 8.290 nan 0.000 0.538 181 A N -0.225 122.623 122.820 0.047 0.000 2.371 181 A HA 0.656 4.976 4.320 -0.000 0.000 0.257 181 A C 0.299 177.923 177.584 0.068 0.000 1.089 181 A CA 0.275 52.336 52.037 0.040 0.000 0.794 181 A CB 0.415 19.439 19.000 0.039 0.000 1.029 181 A HN 0.524 nan 8.150 nan 0.000 0.488 182 E N 0.036 120.264 120.200 0.047 0.000 2.260 182 E HA 0.585 4.935 4.350 -0.000 0.000 0.266 182 E C -0.872 175.763 176.600 0.059 0.000 0.887 182 E CA -0.500 55.943 56.400 0.072 0.000 0.777 182 E CB 2.100 31.803 29.700 0.006 0.000 1.205 182 E HN 0.894 nan 8.360 nan 0.000 0.414 183 A N 2.084 124.979 122.820 0.124 0.000 2.594 183 A HA 0.707 5.027 4.320 -0.000 0.000 0.295 183 A C -0.891 176.801 177.584 0.179 0.000 1.071 183 A CA -0.693 51.436 52.037 0.153 0.000 0.685 183 A CB 2.083 21.216 19.000 0.221 0.000 1.285 183 A HN 0.380 nan 8.150 nan 0.000 0.405 184 T N 1.005 115.666 114.554 0.179 0.000 2.779 184 T HA 0.569 4.919 4.350 -0.000 0.000 0.280 184 T C -1.001 173.777 174.700 0.130 0.000 0.987 184 T CA -0.348 61.834 62.100 0.136 0.000 0.966 184 T CB 1.214 70.134 68.868 0.086 0.000 0.933 184 T HN 1.208 nan 8.240 nan 0.000 0.442 185 V N 5.492 125.464 119.914 0.096 0.000 2.656 185 V HA 0.693 4.813 4.120 -0.000 0.000 0.307 185 V C -1.269 174.825 176.094 -0.001 0.000 1.051 185 V CA -0.912 61.430 62.300 0.070 0.000 0.893 185 V CB 1.316 33.231 31.823 0.153 0.000 0.999 185 V HN 0.846 nan 8.190 nan 0.000 0.426 186 I N 5.734 126.297 120.570 -0.013 0.000 2.436 186 I HA 0.503 4.673 4.170 -0.000 0.000 0.289 186 I C -0.273 175.848 176.117 0.006 0.000 1.010 186 I CA -0.457 60.807 61.300 -0.060 0.000 1.098 186 I CB 1.969 39.924 38.000 -0.076 0.000 1.266 186 I HN 0.585 nan 8.210 nan 0.000 0.434 187 E N 4.966 125.183 120.200 0.027 0.000 2.156 187 E HA 0.296 4.646 4.350 -0.000 0.000 0.279 187 E C -0.894 175.738 176.600 0.054 0.000 0.965 187 E CA -0.489 55.983 56.400 0.120 0.000 0.789 187 E CB 1.618 31.514 29.700 0.326 0.000 1.098 187 E HN 0.510 nan 8.360 nan 0.000 0.397 188 H N 3.974 122.944 119.070 -0.167 0.000 2.589 188 H HA 0.306 4.862 4.556 -0.000 0.000 0.335 188 H C -1.397 173.787 175.328 -0.239 0.000 1.019 188 H CA -0.864 55.070 56.048 -0.190 0.000 1.213 188 H CB 0.617 30.285 29.762 -0.157 0.000 1.472 188 H HN 0.399 nan 8.280 nan 0.000 0.508 189 F N 5.259 125.104 119.950 -0.175 0.000 2.449 189 F HA 0.334 4.861 4.527 0.000 0.000 0.342 189 F C -0.151 175.541 175.800 -0.179 0.000 1.127 189 F CA -0.671 57.240 58.000 -0.148 0.000 0.975 189 F CB 1.680 40.655 39.000 -0.041 0.000 1.146 189 F HN 0.281 nan 8.300 nan 0.000 0.444 190 V N -0.891 119.017 119.914 -0.011 0.000 3.102 190 V HA 0.770 4.890 4.120 -0.000 0.000 0.312 190 V C -0.494 175.687 176.094 0.145 0.000 1.135 190 V CA -0.885 61.443 62.300 0.048 0.000 1.022 190 V CB 1.751 33.530 31.823 -0.073 0.000 1.056 190 V HN 0.564 nan 8.190 nan 0.000 0.436 191 S N 1.292 117.112 115.700 0.200 0.000 2.525 191 S HA 0.545 5.015 4.470 -0.000 0.000 0.290 191 S C 0.529 175.213 174.600 0.141 0.000 1.152 191 S CA -0.406 57.939 58.200 0.242 0.000 1.072 191 S CB 1.525 64.960 63.200 0.392 0.000 1.027 191 S HN 0.946 nan 8.310 nan 0.000 0.500 192 L N 2.912 124.198 121.223 0.104 0.000 2.093 192 L HA 0.048 4.388 4.340 -0.000 0.000 0.208 192 L C 0.481 177.407 176.870 0.094 0.000 1.085 192 L CA 1.883 56.772 54.840 0.082 0.000 0.755 192 L CB -0.554 41.543 42.059 0.063 0.000 0.904 192 L HN 0.891 nan 8.230 nan 0.000 0.435 193 N N -4.281 114.491 118.700 0.120 0.000 3.522 193 N HA 0.184 4.924 4.740 -0.000 0.000 0.328 193 N C -0.182 175.405 175.510 0.127 0.000 1.623 193 N CA -0.191 52.923 53.050 0.108 0.000 0.812 193 N CB -0.296 38.244 38.487 0.088 0.000 2.008 193 N HN -0.257 nan 8.380 nan 0.000 0.601 194 D N -0.506 119.955 120.400 0.102 0.000 2.355 194 D HA 0.230 4.870 4.640 -0.000 0.000 0.218 194 D C 0.102 176.465 176.300 0.105 0.000 1.004 194 D CA 0.327 54.384 54.000 0.095 0.000 0.880 194 D CB -0.427 40.414 40.800 0.069 0.000 0.911 194 D HN 0.699 nan 8.370 nan 0.000 0.528 195 A N 1.510 124.405 122.820 0.125 0.000 2.477 195 A HA 0.237 4.557 4.320 -0.000 0.000 0.246 195 A C 0.716 178.402 177.584 0.171 0.000 1.078 195 A CA -0.414 51.702 52.037 0.132 0.000 0.770 195 A CB 0.074 19.154 19.000 0.132 0.000 1.011 195 A HN 0.217 nan 8.150 nan 0.000 0.494 196 R N 1.933 122.508 120.500 0.125 0.000 2.594 196 R HA 0.530 4.870 4.340 -0.000 0.000 0.272 196 R C -0.365 176.044 176.300 0.182 0.000 1.074 196 R CA 0.019 56.173 56.100 0.090 0.000 1.105 196 R CB 0.293 30.645 30.300 0.087 0.000 1.008 196 R HN 0.968 nan 8.270 nan 0.000 0.472 197 H N -0.629 118.582 119.070 0.234 0.000 2.960 197 H HA 0.492 5.048 4.556 -0.000 0.000 0.338 197 H C -1.806 173.760 175.328 0.396 0.000 1.261 197 H CA -1.275 54.937 56.048 0.273 0.000 1.136 197 H CB 1.074 30.968 29.762 0.221 0.000 1.875 197 H HN 0.573 nan 8.280 nan 0.000 0.550 198 F N 1.669 121.852 119.950 0.389 0.000 2.366 198 F HA 0.484 5.011 4.527 -0.000 0.000 0.366 198 F C -1.007 174.914 175.800 0.201 0.000 1.096 198 F CA -0.515 57.679 58.000 0.324 0.000 1.060 198 F CB 1.278 40.504 39.000 0.377 0.000 1.282 198 F HN 0.683 nan 8.300 nan 0.000 0.450 199 T N 4.705 119.180 114.554 -0.131 0.000 2.799 199 T HA 0.642 4.992 4.350 -0.000 0.000 0.286 199 T C 0.226 174.433 174.700 -0.821 0.000 0.973 199 T CA -0.423 61.464 62.100 -0.355 0.000 1.035 199 T CB 1.101 69.980 68.868 0.019 0.000 0.932 199 T HN 0.823 nan 8.240 nan 0.000 0.469 200 G N 1.032 109.248 108.800 -0.973 0.000 2.452 200 G HA2 0.737 4.697 3.960 -0.000 0.000 0.324 200 G HA3 0.737 4.697 3.960 -0.000 0.000 0.324 200 G C -1.265 173.490 174.900 -0.241 0.000 1.214 200 G CA -0.788 43.942 45.100 -0.616 0.000 0.947 200 G HN 0.970 nan 8.290 nan 0.000 0.478 201 A N 1.663 124.406 122.820 -0.130 0.000 2.572 201 A HA 0.918 5.238 4.320 -0.000 0.000 0.295 201 A C -0.678 176.957 177.584 0.085 0.000 1.072 201 A CA -0.871 51.188 52.037 0.038 0.000 0.691 201 A CB 2.032 21.060 19.000 0.046 0.000 1.291 201 A HN 0.956 nan 8.150 nan 0.000 0.404 202 R N 1.218 121.787 120.500 0.116 0.000 2.605 202 R HA 0.492 4.832 4.340 -0.000 0.000 0.291 202 R C -2.414 174.000 176.300 0.190 0.000 1.226 202 R CA -0.332 55.843 56.100 0.125 0.000 0.981 202 R CB 0.828 31.138 30.300 0.017 0.000 1.215 202 R HN 0.686 nan 8.270 nan 0.000 0.428 203 F N 4.358 124.390 119.950 0.137 0.000 2.402 203 F HA 0.463 4.991 4.527 0.000 0.000 0.355 203 F C -0.582 175.266 175.800 0.080 0.000 1.123 203 F CA -0.630 57.465 58.000 0.158 0.000 1.021 203 F CB 1.648 40.781 39.000 0.223 0.000 1.160 203 F HN 0.494 nan 8.300 nan 0.000 0.451 204 T N 5.079 119.930 114.554 0.495 0.000 2.823 204 T HA 0.819 5.169 4.350 -0.000 0.000 0.279 204 T C -0.471 174.348 174.700 0.198 0.000 0.998 204 T CA -0.647 61.652 62.100 0.331 0.000 0.994 204 T CB 1.548 70.620 68.868 0.340 0.000 0.960 204 T HN 0.440 nan 8.240 nan 0.000 0.448 205 I N 2.775 123.384 120.570 0.065 0.000 2.533 205 I HA 0.402 4.572 4.170 -0.000 0.000 0.290 205 I C -0.440 175.666 176.117 -0.020 0.000 1.056 205 I CA -0.940 60.327 61.300 -0.054 0.000 1.057 205 I CB 2.162 40.133 38.000 -0.048 0.000 1.240 205 I HN 0.649 nan 8.210 nan 0.000 0.423 206 N N 5.429 124.110 118.700 -0.033 0.000 2.408 206 N HA 0.441 5.181 4.740 -0.000 0.000 0.280 206 N C -1.439 174.102 175.510 0.053 0.000 1.002 206 N CA -0.279 52.810 53.050 0.066 0.000 0.907 206 N CB 2.224 40.805 38.487 0.157 0.000 1.161 206 N HN 0.275 nan 8.380 nan 0.000 0.488 207 V N 2.877 122.819 119.914 0.047 0.000 2.313 207 V HA 0.463 4.583 4.120 -0.000 0.000 0.278 207 V C 0.679 176.801 176.094 0.048 0.000 1.017 207 V CA -0.869 61.458 62.300 0.045 0.000 0.823 207 V CB 0.616 32.455 31.823 0.026 0.000 1.010 207 V HN 0.758 nan 8.190 nan 0.000 0.443 208 A N 4.106 126.959 122.820 0.056 0.000 2.267 208 A HA 0.817 5.137 4.320 -0.000 0.000 0.271 208 A C 0.892 178.504 177.584 0.046 0.000 1.131 208 A CA 0.128 52.196 52.037 0.052 0.000 0.818 208 A CB 0.274 19.306 19.000 0.054 0.000 1.118 208 A HN 1.382 nan 8.150 nan 0.000 0.501 209 A N 0.470 123.314 122.820 0.041 0.000 2.567 209 A HA 0.347 4.666 4.320 -0.000 0.000 0.240 209 A C 0.851 178.460 177.584 0.043 0.000 1.053 209 A CA 0.562 52.622 52.037 0.038 0.000 0.755 209 A CB -0.587 18.432 19.000 0.032 0.000 0.978 209 A HN 1.179 nan 8.150 nan 0.000 0.507 210 N N -1.438 117.289 118.700 0.046 0.000 2.828 210 N HA -0.214 4.526 4.740 -0.000 0.000 0.248 210 N C 0.288 175.845 175.510 0.077 0.000 1.044 210 N CA 1.247 54.331 53.050 0.057 0.000 0.851 210 N CB -1.675 36.840 38.487 0.047 0.000 1.136 210 N HN 1.208 nan 8.380 nan 0.000 0.572 211 A N 0.193 123.059 122.820 0.077 0.000 2.286 211 A HA 0.517 4.837 4.320 -0.000 0.000 0.286 211 A C 0.034 177.703 177.584 0.140 0.000 1.097 211 A CA -0.132 51.965 52.037 0.100 0.000 0.821 211 A CB 0.828 19.876 19.000 0.080 0.000 1.076 211 A HN 0.345 nan 8.150 nan 0.000 0.490 212 H N 1.382 120.492 119.070 0.066 0.000 2.906 212 H HA 0.499 5.055 4.556 0.000 0.000 0.324 212 H C -2.009 173.376 175.328 0.095 0.000 0.973 212 H CA -0.509 55.593 56.048 0.089 0.000 1.321 212 H CB 1.314 31.120 29.762 0.074 0.000 1.535 212 H HN 0.544 nan 8.280 nan 0.000 0.518 213 L N 4.447 125.755 121.223 0.141 0.000 2.317 213 L HA 0.408 4.748 4.340 -0.000 0.000 0.281 213 L C -0.720 176.291 176.870 0.235 0.000 1.024 213 L CA -0.445 54.503 54.840 0.180 0.000 0.810 213 L CB 1.752 43.864 42.059 0.087 0.000 1.240 213 L HN 0.592 nan 8.230 nan 0.000 0.427 214 Q N 3.893 123.835 119.800 0.236 0.000 2.339 214 Q HA 0.336 4.676 4.340 -0.000 0.000 0.268 214 Q C -1.593 174.514 176.000 0.178 0.000 1.027 214 Q CA -0.310 55.626 55.803 0.220 0.000 0.759 214 Q CB 0.546 29.389 28.738 0.175 0.000 1.244 214 Q HN 0.731 nan 8.270 nan 0.000 0.464 215 H N 5.279 124.387 119.070 0.063 0.000 2.466 215 H HA 0.545 5.101 4.556 -0.000 0.000 0.338 215 H C -1.231 174.132 175.328 0.060 0.000 1.091 215 H CA -0.656 55.383 56.048 -0.015 0.000 1.207 215 H CB 0.841 30.522 29.762 -0.135 0.000 1.466 215 H HN 0.674 nan 8.280 nan 0.000 0.493 216 I N 4.694 124.891 120.570 -0.622 0.000 2.498 216 I HA 0.244 4.413 4.170 -0.000 0.000 0.290 216 I C -0.503 175.305 176.117 -0.515 0.000 1.032 216 I CA -0.646 60.436 61.300 -0.363 0.000 1.073 216 I CB 2.159 40.118 38.000 -0.067 0.000 1.251 216 I HN 0.397 nan 8.210 nan 0.000 0.426 217 K N 7.370 127.612 120.400 -0.264 0.000 2.376 217 K HA 0.648 4.968 4.320 -0.000 0.000 0.257 217 K C -1.628 174.982 176.600 0.016 0.000 0.939 217 K CA -0.545 55.698 56.287 -0.073 0.000 0.809 217 K CB 1.303 33.812 32.500 0.016 0.000 1.121 217 K HN 0.604 nan 8.250 nan 0.000 0.425 218 L N 4.094 125.284 121.223 -0.054 0.000 2.337 218 L HA 0.451 4.791 4.340 -0.000 0.000 0.269 218 L C -0.320 176.371 176.870 -0.297 0.000 1.018 218 L CA -0.853 53.757 54.840 -0.383 0.000 0.876 218 L CB 1.621 43.169 42.059 -0.853 0.000 1.236 218 L HN 0.697 nan 8.230 nan 0.000 0.436 219 A N 3.898 126.691 122.820 -0.045 0.000 2.650 219 A HA 0.502 4.822 4.320 -0.000 0.000 0.320 219 A C 0.018 177.799 177.584 0.329 0.000 1.466 219 A CA -0.124 51.913 52.037 0.000 0.000 1.099 219 A CB -0.566 18.218 19.000 -0.360 0.000 1.136 219 A HN 0.737 nan 8.150 nan 0.000 0.532 220 F N 1.304 121.333 119.950 0.131 0.000 2.928 220 F HA 0.167 4.694 4.527 -0.000 0.000 0.337 220 F C 0.673 176.539 175.800 0.109 0.000 1.259 220 F CA -0.526 57.546 58.000 0.119 0.000 1.267 220 F CB 0.407 39.516 39.000 0.183 0.000 0.986 220 F HN 0.592 nan 8.300 nan 0.000 0.507 221 E N 0.822 121.186 120.200 0.273 0.000 2.351 221 E HA 0.061 4.411 4.350 -0.000 0.000 0.255 221 E C 0.069 176.770 176.600 0.167 0.000 1.188 221 E CA -0.717 55.833 56.400 0.250 0.000 0.940 221 E CB 0.592 30.473 29.700 0.302 0.000 1.094 221 E HN 0.306 nan 8.360 nan 0.000 0.474 222 N N 0.362 119.156 118.700 0.157 0.000 2.260 222 N HA -0.007 4.733 4.740 -0.000 0.000 0.230 222 N C -2.242 173.294 175.510 0.044 0.000 1.323 222 N CA -1.007 52.100 53.050 0.095 0.000 0.897 222 N CB -0.221 38.330 38.487 0.107 0.000 1.146 222 N HN 0.053 nan 8.380 nan 0.000 0.460 223 P HA 0.032 nan 4.420 nan 0.000 0.230 223 P C 0.564 177.864 177.300 0.001 0.000 1.158 223 P CA 1.005 64.112 63.100 0.012 0.000 0.769 223 P CB 0.176 31.885 31.700 0.015 0.000 0.807 224 L N -2.653 118.572 121.223 0.003 0.000 2.664 224 L HA 0.180 4.520 4.340 -0.000 0.000 0.233 224 L C 0.825 177.698 176.870 0.006 0.000 1.113 224 L CA 0.105 54.952 54.840 0.011 0.000 0.896 224 L CB 0.059 42.139 42.059 0.036 0.000 1.163 224 L HN -0.168 nan 8.230 nan 0.000 0.497 225 S N -1.459 114.208 115.700 -0.056 0.000 2.669 225 S HA 0.360 4.830 4.470 -0.000 0.000 0.270 225 S C -0.260 174.370 174.600 0.050 0.000 1.225 225 S CA -0.410 57.748 58.200 -0.069 0.000 0.991 225 S CB 0.793 63.698 63.200 -0.492 0.000 0.987 225 S HN 0.152 nan 8.310 nan 0.000 0.552 226 H N 0.660 119.855 119.070 0.209 0.000 2.469 226 H HA 0.318 4.874 4.556 -0.000 0.000 0.342 226 H C -0.917 174.672 175.328 0.435 0.000 1.115 226 H CA -0.234 56.075 56.048 0.436 0.000 1.204 226 H CB 1.305 31.465 29.762 0.664 0.000 1.492 226 H HN 0.661 nan 8.280 nan 0.000 0.499 227 H N 3.161 122.413 119.070 0.302 0.000 2.906 227 H HA 0.276 4.832 4.556 -0.000 0.000 0.324 227 H C -1.630 173.669 175.328 -0.049 0.000 0.973 227 H CA -0.508 55.583 56.048 0.071 0.000 1.321 227 H CB 0.298 29.996 29.762 -0.106 0.000 1.535 227 H HN 0.326 nan 8.280 nan 0.000 0.518 228 F N 4.060 123.848 119.950 -0.270 0.000 2.445 228 F HA 0.677 5.204 4.527 -0.000 0.000 0.348 228 F C -0.280 175.401 175.800 -0.198 0.000 1.125 228 F CA -0.347 57.549 58.000 -0.172 0.000 0.983 228 F CB 1.590 40.437 39.000 -0.255 0.000 1.198 228 F HN 0.642 nan 8.300 nan 0.000 0.436 229 A N 2.767 125.576 122.820 -0.019 0.000 2.515 229 A HA 0.790 5.110 4.320 -0.000 0.000 0.296 229 A C -1.892 175.668 177.584 -0.041 0.000 1.094 229 A CA -0.675 51.363 52.037 0.002 0.000 0.718 229 A CB 1.579 20.641 19.000 0.103 0.000 1.307 229 A HN 0.848 nan 8.150 nan 0.000 0.408 230 H N 1.152 120.169 119.070 -0.089 0.000 3.181 230 H HA 0.413 4.969 4.556 -0.000 0.000 0.331 230 H C -1.186 174.096 175.328 -0.078 0.000 0.988 230 H CA -0.610 55.342 56.048 -0.160 0.000 1.449 230 H CB 0.703 30.399 29.762 -0.111 0.000 1.749 230 H HN 0.662 nan 8.280 nan 0.000 0.501 231 N N 3.019 121.785 118.700 0.111 0.000 2.456 231 N HA 0.244 4.984 4.740 -0.000 0.000 0.296 231 N C -1.167 174.428 175.510 0.142 0.000 1.102 231 N CA -0.514 52.625 53.050 0.148 0.000 0.924 231 N CB 1.661 40.198 38.487 0.083 0.000 1.186 231 N HN 0.569 nan 8.380 nan 0.000 0.492 232 D N 0.645 121.108 120.400 0.106 0.000 2.498 232 D HA 0.481 5.121 4.640 -0.000 0.000 0.247 232 D C -0.541 175.781 176.300 0.035 0.000 1.070 232 D CA -0.272 53.774 54.000 0.076 0.000 0.842 232 D CB 1.579 42.420 40.800 0.069 0.000 1.361 232 D HN 0.210 nan 8.370 nan 0.000 0.484 233 L N 2.228 123.462 121.223 0.018 0.000 2.349 233 L HA 0.508 4.848 4.340 -0.000 0.000 0.278 233 L C -0.792 176.090 176.870 0.021 0.000 0.996 233 L CA -0.739 54.096 54.840 -0.008 0.000 0.825 233 L CB 1.364 43.393 42.059 -0.049 0.000 1.243 233 L HN 0.130 nan 8.230 nan 0.000 0.412 234 L N 4.956 126.199 121.223 0.033 0.000 2.316 234 L HA 0.504 4.844 4.340 -0.000 0.000 0.280 234 L C -0.877 176.013 176.870 0.032 0.000 1.006 234 L CA -0.405 54.463 54.840 0.046 0.000 0.836 234 L CB 1.680 43.786 42.059 0.078 0.000 1.221 234 L HN 0.390 nan 8.230 nan 0.000 0.418 235 L N 2.742 123.974 121.223 0.015 0.000 2.317 235 L HA 0.759 5.099 4.340 -0.000 0.000 0.281 235 L C 0.527 177.409 176.870 0.020 0.000 1.024 235 L CA 0.196 55.040 54.840 0.008 0.000 0.810 235 L CB 1.735 43.781 42.059 -0.023 0.000 1.240 235 L HN 0.677 nan 8.230 nan 0.000 0.427 236 A N 2.624 125.461 122.820 0.028 0.000 2.829 236 A HA 0.591 4.911 4.320 -0.000 0.000 0.248 236 A C -0.054 177.548 177.584 0.030 0.000 1.654 236 A CA -0.313 51.744 52.037 0.034 0.000 0.860 236 A CB 0.156 19.179 19.000 0.039 0.000 1.696 236 A HN 0.659 nan 8.150 nan 0.000 0.576 237 E N -0.097 120.123 120.200 0.033 0.000 2.349 237 E HA 0.180 4.530 4.350 -0.000 0.000 0.265 237 E C -1.179 175.438 176.600 0.029 0.000 1.064 237 E CA 0.092 56.511 56.400 0.032 0.000 0.886 237 E CB 0.460 30.178 29.700 0.029 0.000 1.036 237 E HN 0.504 nan 8.360 nan 0.000 0.413 238 D N -0.589 119.829 120.400 0.029 0.000 2.772 238 D HA -0.177 4.463 4.640 -0.000 0.000 0.233 238 D C -0.577 175.744 176.300 0.035 0.000 1.143 238 D CA 1.425 55.444 54.000 0.031 0.000 0.700 238 D CB -1.475 39.341 40.800 0.027 0.000 1.076 238 D HN 0.665 nan 8.370 nan 0.000 0.430 239 A N -0.602 122.232 122.820 0.024 0.000 2.330 239 A HA 0.796 5.116 4.320 -0.000 0.000 0.329 239 A C 0.322 177.896 177.584 -0.016 0.000 1.135 239 A CA -0.268 51.778 52.037 0.015 0.000 0.817 239 A CB 1.654 20.661 19.000 0.010 0.000 1.269 239 A HN -0.001 nan 8.150 nan 0.000 0.469 240 T N 0.668 115.191 114.554 -0.051 0.000 2.881 240 T HA 0.713 5.063 4.350 -0.000 0.000 0.290 240 T C -0.658 173.937 174.700 -0.175 0.000 1.000 240 T CA 0.113 62.130 62.100 -0.138 0.000 0.978 240 T CB 1.591 70.332 68.868 -0.212 0.000 0.997 240 T HN 1.487 nan 8.240 nan 0.000 0.443 241 A N 2.717 125.440 122.820 -0.161 0.000 2.459 241 A HA 0.821 5.141 4.320 -0.000 0.000 0.296 241 A C -1.724 175.778 177.584 -0.137 0.000 1.039 241 A CA -0.657 51.334 52.037 -0.077 0.000 0.698 241 A CB 0.929 19.881 19.000 -0.080 0.000 1.261 241 A HN 0.645 nan 8.150 nan 0.000 0.405 242 F N 1.207 121.079 119.950 -0.130 0.000 2.507 242 F HA 0.714 5.241 4.527 0.000 0.000 0.325 242 F C 0.659 176.317 175.800 -0.237 0.000 1.116 242 F CA -0.402 57.492 58.000 -0.177 0.000 0.930 242 F CB 2.587 41.552 39.000 -0.058 0.000 1.146 242 F HN 0.470 nan 8.300 nan 0.000 0.447 243 S N 3.373 118.934 115.700 -0.232 0.000 2.647 243 S HA 0.508 4.978 4.470 -0.000 0.000 0.300 243 S C -1.534 172.866 174.600 -0.333 0.000 1.129 243 S CA -0.569 57.575 58.200 -0.092 0.000 1.029 243 S CB 0.310 63.537 63.200 0.046 0.000 1.007 243 S HN 0.613 nan 8.310 nan 0.000 0.484 244 H N 2.592 121.719 119.070 0.095 0.000 2.646 244 H HA 0.465 5.021 4.556 -0.000 0.000 0.328 244 H C -0.810 174.423 175.328 -0.158 0.000 0.998 244 H CA -0.587 55.427 56.048 -0.056 0.000 1.225 244 H CB 1.659 31.463 29.762 0.070 0.000 1.457 244 H HN 0.435 nan 8.280 nan 0.000 0.505 245 S N 3.196 118.748 115.700 -0.247 0.000 2.478 245 S HA 0.419 4.889 4.470 -0.000 0.000 0.312 245 S C -0.545 173.765 174.600 -0.483 0.000 1.094 245 S CA -0.652 57.396 58.200 -0.252 0.000 1.081 245 S CB 0.526 63.580 63.200 -0.244 0.000 1.007 245 S HN 0.335 nan 8.310 nan 0.000 0.475 246 F N 3.004 122.970 119.950 0.027 0.000 2.359 246 F HA 0.399 4.926 4.527 0.000 0.000 0.369 246 F C -0.101 175.784 175.800 0.142 0.000 1.084 246 F CA -0.625 57.446 58.000 0.119 0.000 1.096 246 F CB 0.549 39.680 39.000 0.219 0.000 1.335 246 F HN 0.300 nan 8.300 nan 0.000 0.457 247 L N 5.737 127.042 121.223 0.136 0.000 2.352 247 L HA 0.335 4.675 4.340 -0.000 0.000 0.272 247 L C -0.225 176.705 176.870 0.100 0.000 1.109 247 L CA 0.029 54.900 54.840 0.052 0.000 0.952 247 L CB 0.085 42.119 42.059 -0.043 0.000 1.314 247 L HN 0.617 nan 8.230 nan 0.000 0.427 248 L N 2.902 124.244 121.223 0.198 0.000 2.960 248 L HA 0.606 4.946 4.340 -0.000 0.000 0.274 248 L C 0.337 177.261 176.870 0.089 0.000 1.327 248 L CA -0.334 54.572 54.840 0.110 0.000 0.860 248 L CB 0.803 42.878 42.059 0.026 0.000 1.239 248 L HN 0.579 nan 8.230 nan 0.000 0.551 249 G N -1.259 107.581 108.800 0.067 0.000 2.616 249 G HA2 0.558 4.518 3.960 -0.000 0.000 0.294 249 G HA3 0.558 4.518 3.960 -0.000 0.000 0.294 249 G C -0.601 174.307 174.900 0.013 0.000 1.489 249 G CA -0.070 45.068 45.100 0.064 0.000 0.836 249 G HN 0.373 nan 8.290 nan 0.000 0.527 250 G N -1.110 107.699 108.800 0.016 0.000 2.675 250 G HA2 0.410 4.370 3.960 -0.000 0.000 0.686 250 G HA3 0.410 4.370 3.960 -0.000 0.000 0.686 250 G C 0.889 175.761 174.900 -0.047 0.000 1.215 250 G CA 0.611 45.703 45.100 -0.014 0.000 0.777 250 G HN 2.119 nan 8.290 nan 0.000 0.638 251 A N -0.163 122.604 122.820 -0.089 0.000 1.898 251 A HA 0.522 4.842 4.320 -0.000 0.000 0.214 251 A C 1.200 178.700 177.584 -0.139 0.000 1.183 251 A CA 2.246 54.220 52.037 -0.105 0.000 0.622 251 A CB 0.134 19.062 19.000 -0.120 0.000 0.824 251 A HN 1.865 nan 8.150 nan 0.000 0.444 252 V N 0.086 119.856 119.914 -0.240 0.000 2.569 252 V HA 0.519 4.639 4.120 -0.000 0.000 0.301 252 V C -0.899 175.114 176.094 -0.136 0.000 1.044 252 V CA -0.323 61.877 62.300 -0.166 0.000 0.874 252 V CB 1.491 33.231 31.823 -0.137 0.000 1.002 252 V HN 0.456 nan 8.190 nan 0.000 0.424 253 L N 5.154 126.267 121.223 -0.183 0.000 2.408 253 L HA 0.803 5.143 4.340 -0.000 0.000 0.268 253 L C -0.605 176.020 176.870 -0.409 0.000 0.986 253 L CA -0.578 54.105 54.840 -0.263 0.000 0.820 253 L CB 1.951 43.916 42.059 -0.157 0.000 1.303 253 L HN 0.738 nan 8.230 nan 0.000 0.411 254 R N 2.896 123.008 120.500 -0.646 0.000 2.507 254 R HA 0.353 4.693 4.340 -0.000 0.000 0.298 254 R C -1.792 174.323 176.300 -0.309 0.000 1.087 254 R CA -0.630 55.140 56.100 -0.551 0.000 0.917 254 R CB 0.822 30.635 30.300 -0.811 0.000 1.173 254 R HN 0.817 nan 8.270 nan 0.000 0.472 255 H N 2.927 121.856 119.070 -0.236 0.000 2.466 255 H HA 0.443 4.999 4.556 -0.000 0.000 0.338 255 H C -1.055 174.156 175.328 -0.196 0.000 1.091 255 H CA -0.479 55.478 56.048 -0.152 0.000 1.207 255 H CB 1.102 30.807 29.762 -0.095 0.000 1.466 255 H HN 0.522 nan 8.280 nan 0.000 0.493 256 N N 3.629 121.765 118.700 -0.940 0.000 2.362 256 N HA 0.234 4.974 4.740 -0.000 0.000 0.298 256 N C -1.096 173.912 175.510 -0.837 0.000 1.048 256 N CA -0.604 51.949 53.050 -0.829 0.000 0.858 256 N CB 2.149 39.923 38.487 -1.188 0.000 1.218 256 N HN 0.534 nan 8.380 nan 0.000 0.488 257 T N 0.899 115.235 114.554 -0.363 0.000 2.815 257 T HA 0.333 4.683 4.350 -0.000 0.000 0.289 257 T C -0.275 174.413 174.700 -0.020 0.000 1.000 257 T CA -0.419 61.618 62.100 -0.106 0.000 0.958 257 T CB 0.889 69.803 68.868 0.078 0.000 0.944 257 T HN 0.237 nan 8.240 nan 0.000 0.442 258 S N 2.505 118.237 115.700 0.053 0.000 2.475 258 S HA 0.760 5.230 4.470 -0.000 0.000 0.298 258 S C -0.073 174.610 174.600 0.138 0.000 1.119 258 S CA -0.678 57.615 58.200 0.155 0.000 1.085 258 S CB 1.371 64.649 63.200 0.130 0.000 1.028 258 S HN 0.677 nan 8.310 nan 0.000 0.489 259 T N 3.117 117.785 114.554 0.191 0.000 2.912 259 T HA 0.436 4.786 4.350 -0.000 0.000 0.299 259 T C -1.153 173.620 174.700 0.121 0.000 1.052 259 T CA -0.718 61.444 62.100 0.104 0.000 0.996 259 T CB 1.570 70.460 68.868 0.036 0.000 1.070 259 T HN 0.516 nan 8.240 nan 0.000 0.465 260 Q N 1.977 121.820 119.800 0.071 0.000 2.330 260 Q HA 0.494 4.834 4.340 -0.000 0.000 0.269 260 Q C -0.932 175.066 176.000 -0.004 0.000 1.022 260 Q CA -0.634 55.203 55.803 0.057 0.000 0.796 260 Q CB 2.196 30.984 28.738 0.084 0.000 1.271 260 Q HN 0.506 nan 8.270 nan 0.000 0.450 261 L N 3.218 124.408 121.223 -0.055 0.000 2.315 261 L HA 0.300 4.640 4.340 -0.000 0.000 0.278 261 L C 0.415 177.282 176.870 -0.005 0.000 1.088 261 L CA -0.311 54.484 54.840 -0.076 0.000 0.899 261 L CB 0.199 42.132 42.059 -0.210 0.000 1.277 261 L HN 0.545 nan 8.230 nan 0.000 0.431 262 N N 2.368 121.080 118.700 0.021 0.000 2.268 262 N HA 0.169 4.909 4.740 -0.000 0.000 0.204 262 N C 0.414 175.955 175.510 0.051 0.000 1.124 262 N CA 0.024 53.101 53.050 0.045 0.000 0.838 262 N CB 1.485 40.002 38.487 0.050 0.000 0.994 262 N HN 0.667 nan 8.380 nan 0.000 0.489 263 G N -0.388 108.441 108.800 0.049 0.000 2.659 263 G HA2 0.401 4.361 3.960 -0.000 0.000 0.296 263 G HA3 0.401 4.361 3.960 -0.000 0.000 0.296 263 G C -0.823 174.123 174.900 0.077 0.000 1.369 263 G CA -0.514 44.620 45.100 0.058 0.000 0.937 263 G HN -0.040 nan 8.290 nan 0.000 0.485 264 E N 0.005 120.262 120.200 0.095 0.000 2.392 264 E HA 0.169 4.519 4.350 -0.000 0.000 0.256 264 E C 0.355 177.016 176.600 0.102 0.000 1.145 264 E CA -0.070 56.417 56.400 0.144 0.000 0.929 264 E CB 0.594 30.381 29.700 0.146 0.000 0.998 264 E HN 0.559 nan 8.360 nan 0.000 0.442 265 N N 0.218 119.008 118.700 0.149 0.000 2.754 265 N HA -0.173 4.567 4.740 -0.000 0.000 0.248 265 N C -1.620 173.932 175.510 0.069 0.000 1.093 265 N CA 0.762 53.874 53.050 0.104 0.000 0.699 265 N CB -0.838 37.669 38.487 0.034 0.000 1.016 265 N HN 0.288 nan 8.380 nan 0.000 0.552 266 S N -0.793 114.945 115.700 0.063 0.000 2.664 266 S HA 0.735 5.205 4.470 -0.000 0.000 0.304 266 S C -0.129 174.471 174.600 -0.000 0.000 1.099 266 S CA -0.431 57.781 58.200 0.021 0.000 1.003 266 S CB 1.943 65.142 63.200 -0.001 0.000 1.092 266 S HN 0.222 nan 8.310 nan 0.000 0.525 267 T N 2.112 116.640 114.554 -0.043 0.000 2.848 267 T HA 0.621 4.971 4.350 -0.000 0.000 0.285 267 T C -1.355 173.221 174.700 -0.206 0.000 0.995 267 T CA -0.382 61.662 62.100 -0.093 0.000 0.970 267 T CB 1.101 69.931 68.868 -0.063 0.000 0.976 267 T HN 0.367 nan 8.240 nan 0.000 0.441 268 L N 3.083 124.160 121.223 -0.245 0.000 2.408 268 L HA 0.779 5.119 4.340 -0.000 0.000 0.268 268 L C -0.791 175.846 176.870 -0.389 0.000 0.986 268 L CA -0.624 54.027 54.840 -0.314 0.000 0.820 268 L CB 1.833 43.771 42.059 -0.202 0.000 1.303 268 L HN 0.635 nan 8.230 nan 0.000 0.411 269 R N 5.380 125.558 120.500 -0.535 0.000 2.532 269 R HA 0.741 5.081 4.340 -0.000 0.000 0.297 269 R C -1.913 174.208 176.300 -0.298 0.000 0.984 269 R CA -0.506 55.337 56.100 -0.428 0.000 0.884 269 R CB 1.250 31.217 30.300 -0.556 0.000 1.182 269 R HN 0.762 nan 8.270 nan 0.000 0.442 270 I N 4.150 124.604 120.570 -0.193 0.000 2.439 270 I HA 0.377 4.547 4.170 -0.000 0.000 0.285 270 I C -0.914 175.056 176.117 -0.245 0.000 1.021 270 I CA -1.002 60.211 61.300 -0.145 0.000 1.091 270 I CB 1.917 39.917 38.000 -0.001 0.000 1.242 270 I HN 0.566 nan 8.210 nan 0.000 0.439 271 N N 3.636 122.182 118.700 -0.257 0.000 2.328 271 N HA 0.723 5.463 4.740 -0.000 0.000 0.299 271 N C -1.027 174.324 175.510 -0.266 0.000 1.179 271 N CA -0.710 52.120 53.050 -0.366 0.000 0.793 271 N CB 2.352 40.759 38.487 -0.134 0.000 1.366 271 N HN 0.656 nan 8.380 nan 0.000 0.493 272 S N -0.308 115.231 115.700 -0.267 0.000 2.550 272 S HA 0.685 5.155 4.470 -0.000 0.000 0.270 272 S C -1.813 172.689 174.600 -0.162 0.000 1.145 272 S CA -0.823 57.292 58.200 -0.141 0.000 0.852 272 S CB 1.389 64.677 63.200 0.147 0.000 1.119 272 S HN 0.379 nan 8.310 nan 0.000 0.465 273 L N 1.894 122.992 121.223 -0.208 0.000 2.362 273 L HA 0.941 5.281 4.340 -0.000 0.000 0.275 273 L C -0.574 176.302 176.870 0.011 0.000 0.998 273 L CA -0.311 54.485 54.840 -0.073 0.000 0.820 273 L CB 1.491 43.539 42.059 -0.018 0.000 1.270 273 L HN 1.231 nan 8.230 nan 0.000 0.415 274 A N 5.767 128.613 122.820 0.043 0.000 2.371 274 A HA 0.835 5.155 4.320 -0.000 0.000 0.311 274 A C -0.697 176.916 177.584 0.048 0.000 1.068 274 A CA -0.468 51.594 52.037 0.042 0.000 0.744 274 A CB 1.311 20.332 19.000 0.035 0.000 1.239 274 A HN 0.753 nan 8.150 nan 0.000 0.435 275 M N 3.906 123.527 119.600 0.034 0.000 3.269 275 M HA 0.214 4.693 4.480 -0.000 0.000 0.340 275 M C -2.711 173.588 176.300 -0.001 0.000 1.662 275 M CA -1.279 54.032 55.300 0.019 0.000 0.547 275 M CB 1.502 34.113 32.600 0.018 0.000 1.449 275 M HN 0.435 nan 8.290 nan 0.000 0.459 276 P HA 0.171 nan 4.420 nan 0.000 0.268 276 P C -0.434 176.857 177.300 -0.015 0.000 1.204 276 P CA 0.045 63.139 63.100 -0.010 0.000 0.768 276 P CB 1.033 32.728 31.700 -0.008 0.000 0.842 277 V N -0.658 119.247 119.914 -0.015 0.000 3.145 277 V HA 0.569 4.689 4.120 -0.000 0.000 0.311 277 V C 0.877 176.965 176.094 -0.010 0.000 1.238 277 V CA -0.959 61.331 62.300 -0.017 0.000 1.066 277 V CB 0.778 32.588 31.823 -0.021 0.000 1.144 277 V HN 0.588 nan 8.190 nan 0.000 0.465 278 K N -0.510 119.885 120.400 -0.009 0.000 1.699 278 K HA -0.269 4.051 4.320 -0.000 0.000 0.127 278 K C 0.523 177.124 176.600 0.002 0.000 1.157 278 K CA 2.206 58.491 56.287 -0.003 0.000 0.341 278 K CB -1.200 31.299 32.500 -0.001 0.000 0.645 278 K HN 0.878 nan 8.250 nan 0.000 0.848 279 N N 2.155 120.859 118.700 0.006 0.000 2.282 279 N HA 0.094 4.834 4.740 -0.000 0.000 0.240 279 N C -0.807 174.710 175.510 0.012 0.000 1.182 279 N CA 0.139 53.197 53.050 0.013 0.000 0.874 279 N CB 0.596 39.094 38.487 0.020 0.000 1.126 279 N HN 0.314 nan 8.380 nan 0.000 0.516 280 E N 0.471 120.672 120.200 0.002 0.000 2.392 280 E HA 0.275 4.625 4.350 -0.000 0.000 0.259 280 E C -0.349 176.252 176.600 0.001 0.000 1.108 280 E CA -0.045 56.352 56.400 -0.006 0.000 0.916 280 E CB 1.682 31.373 29.700 -0.015 0.000 0.989 280 E HN -0.175 nan 8.360 nan 0.000 0.432 281 V N 1.996 121.907 119.914 -0.005 0.000 2.483 281 V HA 0.206 4.326 4.120 -0.000 0.000 0.297 281 V C -0.821 175.257 176.094 -0.027 0.000 1.027 281 V CA -0.782 61.521 62.300 0.005 0.000 0.855 281 V CB 1.612 33.460 31.823 0.042 0.000 0.995 281 V HN 0.794 nan 8.190 nan 0.000 0.424 282 C N 4.398 123.682 119.300 -0.026 0.000 2.322 282 C HA 0.651 5.111 4.460 -0.000 0.000 0.324 282 C C -0.830 174.134 174.990 -0.043 0.000 1.249 282 C CA -0.394 58.597 59.018 -0.045 0.000 1.453 282 C CB 0.383 28.108 27.740 -0.026 0.000 2.145 282 C HN 0.943 nan 8.230 nan 0.000 0.466 283 D N 3.540 123.888 120.400 -0.086 0.000 2.440 283 D HA 0.352 4.992 4.640 -0.000 0.000 0.239 283 D C -0.547 175.692 176.300 -0.101 0.000 1.084 283 D CA 0.333 54.272 54.000 -0.101 0.000 0.843 283 D CB 1.680 42.380 40.800 -0.166 0.000 1.097 283 D HN 0.595 nan 8.370 nan 0.000 0.531 284 T N 3.933 118.458 114.554 -0.048 0.000 2.786 284 T HA 0.628 4.978 4.350 -0.000 0.000 0.283 284 T C -0.559 174.068 174.700 -0.122 0.000 0.992 284 T CA -0.607 61.490 62.100 -0.004 0.000 0.954 284 T CB 0.398 69.326 68.868 0.099 0.000 0.934 284 T HN 0.348 nan 8.240 nan 0.000 0.440 285 R N 2.583 122.974 120.500 -0.182 0.000 2.744 285 R HA 0.738 5.078 4.340 -0.000 0.000 0.279 285 R C -0.765 175.400 176.300 -0.224 0.000 0.977 285 R CA -1.026 54.876 56.100 -0.330 0.000 0.906 285 R CB 2.239 32.343 30.300 -0.326 0.000 1.197 285 R HN 0.760 nan 8.270 nan 0.000 0.463 286 T N -2.054 112.368 114.554 -0.220 0.000 2.903 286 T HA 0.551 4.901 4.350 -0.000 0.000 0.299 286 T C -1.388 173.355 174.700 0.071 0.000 1.093 286 T CA -0.855 61.227 62.100 -0.030 0.000 1.002 286 T CB 2.267 71.180 68.868 0.075 0.000 1.127 286 T HN 0.648 nan 8.240 nan 0.000 0.488 287 W N 4.189 125.445 121.300 -0.074 0.000 2.830 287 W HA 0.662 5.323 4.660 0.001 0.000 0.335 287 W C -2.797 173.720 176.519 -0.004 0.000 1.043 287 W CA -1.446 55.878 57.345 -0.035 0.000 1.239 287 W CB 1.614 31.063 29.460 -0.017 0.000 1.378 287 W HN 0.784 nan 8.180 nan 0.000 0.456 288 L N 5.183 126.384 121.223 -0.037 0.000 2.410 288 L HA 0.532 4.872 4.340 -0.000 0.000 0.270 288 L C -0.903 175.913 176.870 -0.089 0.000 0.983 288 L CA -0.221 54.624 54.840 0.008 0.000 0.822 288 L CB 2.088 44.157 42.059 0.015 0.000 1.285 288 L HN 0.435 nan 8.230 nan 0.000 0.409 289 E N 4.195 124.395 120.200 -0.000 0.000 2.145 289 E HA 0.286 4.636 4.350 -0.000 0.000 0.262 289 E C -1.043 175.554 176.600 -0.004 0.000 0.883 289 E CA -0.475 55.931 56.400 0.011 0.000 0.748 289 E CB 0.768 30.535 29.700 0.113 0.000 1.140 289 E HN 0.542 nan 8.360 nan 0.000 0.417 290 H N 3.542 122.595 119.070 -0.028 0.000 3.008 290 H HA 0.120 4.677 4.556 0.001 0.000 0.268 290 H C 0.194 175.527 175.328 0.008 0.000 1.323 290 H CA -0.146 55.893 56.048 -0.015 0.000 1.401 290 H CB 0.384 30.119 29.762 -0.045 0.000 1.556 290 H HN 0.447 nan 8.280 nan 0.000 0.502 291 N N 1.724 120.481 118.700 0.094 0.000 2.415 291 N HA -0.036 4.704 4.740 -0.000 0.000 0.176 291 N C 0.255 175.829 175.510 0.107 0.000 1.042 291 N CA 0.699 53.808 53.050 0.098 0.000 0.902 291 N CB 0.731 39.270 38.487 0.086 0.000 0.986 291 N HN 0.395 nan 8.380 nan 0.000 0.447 292 K N 0.036 120.503 120.400 0.112 0.000 2.340 292 K HA 0.494 4.814 4.320 -0.000 0.000 0.244 292 K C 0.429 177.120 176.600 0.151 0.000 0.973 292 K CA -0.712 55.654 56.287 0.132 0.000 0.828 292 K CB 1.832 34.408 32.500 0.128 0.000 1.226 292 K HN -0.044 nan 8.250 nan 0.000 0.437 293 G N -0.352 108.545 108.800 0.161 0.000 2.553 293 G HA2 0.373 4.333 3.960 -0.000 0.000 0.278 293 G HA3 0.373 4.333 3.960 -0.000 0.000 0.278 293 G C -0.415 174.608 174.900 0.205 0.000 1.349 293 G CA -0.467 44.660 45.100 0.045 0.000 1.037 293 G HN 0.573 nan 8.290 nan 0.000 0.508 294 F N -2.587 117.397 119.950 0.056 0.000 3.084 294 F HA -0.202 4.325 4.527 0.001 0.000 0.286 294 F C 0.775 176.610 175.800 0.057 0.000 0.855 294 F CA -0.011 58.016 58.000 0.045 0.000 1.091 294 F CB -2.209 36.811 39.000 0.035 0.000 1.177 294 F HN 0.361 nan 8.300 nan 0.000 0.542 295 C N 0.567 119.981 119.300 0.190 0.000 2.435 295 C HA 0.592 5.052 4.460 -0.000 0.000 0.333 295 C C 0.512 175.613 174.990 0.184 0.000 1.202 295 C CA -1.054 58.070 59.018 0.178 0.000 1.830 295 C CB 1.700 29.535 27.740 0.158 0.000 2.326 295 C HN 0.478 nan 8.230 nan 0.000 0.507 296 N N 1.238 120.011 118.700 0.122 0.000 2.372 296 N HA 0.476 5.216 4.740 -0.000 0.000 0.285 296 N C -0.960 174.589 175.510 0.065 0.000 1.008 296 N CA 0.148 53.249 53.050 0.085 0.000 0.880 296 N CB 1.793 40.300 38.487 0.033 0.000 1.239 296 N HN 0.892 nan 8.380 nan 0.000 0.484 297 S N 3.326 119.089 115.700 0.105 0.000 2.526 297 S HA 0.686 5.156 4.470 -0.000 0.000 0.293 297 S C -0.780 173.824 174.600 0.006 0.000 1.092 297 S CA -0.913 57.314 58.200 0.046 0.000 0.980 297 S CB 2.333 65.624 63.200 0.152 0.000 1.048 297 S HN 0.485 nan 8.310 nan 0.000 0.483 298 R N 1.469 121.937 120.500 -0.054 0.000 2.574 298 R HA 0.487 4.827 4.340 -0.000 0.000 0.288 298 R C -1.206 175.050 176.300 -0.073 0.000 1.004 298 R CA -0.392 55.676 56.100 -0.053 0.000 0.895 298 R CB 2.070 32.329 30.300 -0.067 0.000 1.191 298 R HN 0.836 nan 8.270 nan 0.000 0.444 299 Q N 1.966 121.736 119.800 -0.050 0.000 2.323 299 Q HA 0.525 4.865 4.340 -0.000 0.000 0.271 299 Q C -1.170 174.715 176.000 -0.192 0.000 1.048 299 Q CA -1.078 54.663 55.803 -0.104 0.000 0.792 299 Q CB 2.976 31.771 28.738 0.095 0.000 1.280 299 Q HN 0.223 nan 8.270 nan 0.000 0.441 300 L N 3.021 124.005 121.223 -0.399 0.000 2.406 300 L HA 0.405 4.745 4.340 -0.000 0.000 0.270 300 L C -1.715 174.809 176.870 -0.578 0.000 0.982 300 L CA -0.205 54.418 54.840 -0.361 0.000 0.843 300 L CB 1.105 43.028 42.059 -0.227 0.000 1.225 300 L HN 0.635 nan 8.230 nan 0.000 0.412 301 H N 4.950 123.860 119.070 -0.266 0.000 2.708 301 H HA 0.456 5.012 4.556 -0.000 0.000 0.320 301 H C -0.909 174.254 175.328 -0.275 0.000 0.991 301 H CA -0.652 55.224 56.048 -0.287 0.000 1.243 301 H CB 1.508 30.994 29.762 -0.461 0.000 1.446 301 H HN 0.490 nan 8.280 nan 0.000 0.502 302 K N 2.079 122.411 120.400 -0.113 0.000 2.221 302 K HA 0.415 4.735 4.320 -0.000 0.000 0.258 302 K C -0.020 176.620 176.600 0.066 0.000 0.944 302 K CA -0.741 55.496 56.287 -0.083 0.000 0.823 302 K CB 2.275 34.580 32.500 -0.324 0.000 1.113 302 K HN 0.598 nan 8.250 nan 0.000 0.431 303 T N -0.770 113.895 114.554 0.185 0.000 2.900 303 T HA 0.679 5.029 4.350 -0.000 0.000 0.295 303 T C -0.561 174.244 174.700 0.175 0.000 1.044 303 T CA -0.845 61.341 62.100 0.144 0.000 0.995 303 T CB 0.777 69.687 68.868 0.070 0.000 1.072 303 T HN 0.322 nan 8.240 nan 0.000 0.473 304 I N 2.264 122.887 120.570 0.089 0.000 2.468 304 I HA 0.449 4.619 4.170 -0.000 0.000 0.284 304 I C -0.757 175.348 176.117 -0.020 0.000 1.038 304 I CA -0.753 60.547 61.300 0.000 0.000 1.083 304 I CB 2.138 40.134 38.000 -0.006 0.000 1.223 304 I HN 0.538 nan 8.210 nan 0.000 0.443 305 V N 5.019 124.908 119.914 -0.041 0.000 2.384 305 V HA 0.612 4.732 4.120 -0.000 0.000 0.287 305 V C 0.110 176.179 176.094 -0.042 0.000 1.020 305 V CA -0.285 61.995 62.300 -0.033 0.000 0.850 305 V CB 1.403 33.208 31.823 -0.029 0.000 0.987 305 V HN 0.766 nan 8.190 nan 0.000 0.436 306 S N 2.516 118.195 115.700 -0.035 0.000 2.726 306 S HA 0.609 5.079 4.470 -0.000 0.000 0.308 306 S C -0.313 174.272 174.600 -0.025 0.000 1.115 306 S CA -0.645 57.534 58.200 -0.036 0.000 0.965 306 S CB 1.497 64.674 63.200 -0.039 0.000 1.145 306 S HN 0.939 nan 8.310 nan 0.000 0.532 307 D N 1.042 121.428 120.400 -0.023 0.000 3.417 307 D HA -0.202 4.438 4.640 -0.000 0.000 0.163 307 D C 0.032 176.327 176.300 -0.010 0.000 1.070 307 D CA 1.238 55.229 54.000 -0.014 0.000 1.047 307 D CB -0.521 40.272 40.800 -0.012 0.000 0.514 307 D HN 0.604 nan 8.370 nan 0.000 0.532 308 K N 1.417 121.815 120.400 -0.003 0.000 2.570 308 K HA 0.396 4.716 4.320 -0.000 0.000 0.210 308 K C 0.781 177.384 176.600 0.005 0.000 1.048 308 K CA 0.135 56.424 56.287 0.003 0.000 1.167 308 K CB 0.747 33.252 32.500 0.009 0.000 0.892 308 K HN 0.353 nan 8.250 nan 0.000 0.480 309 G N 1.307 110.106 108.800 -0.002 0.000 2.634 309 G HA2 0.136 4.096 3.960 -0.000 0.000 0.255 309 G HA3 0.136 4.096 3.960 -0.000 0.000 0.255 309 G C -0.655 174.245 174.900 0.000 0.000 1.205 309 G CA -0.370 44.729 45.100 -0.002 0.000 0.884 309 G HN 0.257 nan 8.290 nan 0.000 0.549 310 R N -0.066 120.436 120.500 0.003 0.000 2.515 310 R HA 0.544 4.884 4.340 -0.000 0.000 0.291 310 R C -0.756 175.542 176.300 -0.003 0.000 1.046 310 R CA -0.615 55.486 56.100 0.001 0.000 0.914 310 R CB 1.421 31.735 30.300 0.023 0.000 1.191 310 R HN 0.715 nan 8.270 nan 0.000 0.435 311 A N 3.454 126.265 122.820 -0.014 0.000 2.312 311 A HA 0.668 4.988 4.320 -0.000 0.000 0.326 311 A C -0.909 176.661 177.584 -0.023 0.000 1.172 311 A CA -0.557 51.475 52.037 -0.007 0.000 0.821 311 A CB 1.640 20.644 19.000 0.006 0.000 1.166 311 A HN 0.403 nan 8.150 nan 0.000 0.493 312 V N 2.350 122.258 119.914 -0.009 0.000 2.483 312 V HA 0.489 4.609 4.120 -0.000 0.000 0.297 312 V C -1.093 175.014 176.094 0.022 0.000 1.027 312 V CA -0.313 61.971 62.300 -0.027 0.000 0.855 312 V CB 1.250 33.069 31.823 -0.006 0.000 0.995 312 V HN 0.813 nan 8.190 nan 0.000 0.424 313 F N 4.494 124.371 119.950 -0.123 0.000 2.495 313 F HA 0.767 5.293 4.527 -0.001 0.000 0.327 313 F C -0.382 175.339 175.800 -0.130 0.000 1.103 313 F CA -0.646 57.269 58.000 -0.142 0.000 0.949 313 F CB 1.914 40.831 39.000 -0.140 0.000 1.142 313 F HN 0.532 nan 8.300 nan 0.000 0.457 314 N N 2.774 120.664 118.700 -1.351 0.000 2.454 314 N HA 0.653 5.393 4.740 -0.000 0.000 0.291 314 N C -1.355 173.403 175.510 -1.253 0.000 1.079 314 N CA -0.428 52.027 53.050 -0.991 0.000 0.893 314 N CB 1.996 40.207 38.487 -0.460 0.000 1.512 314 N HN 0.919 nan 8.380 nan 0.000 0.497 315 G N 2.736 111.007 108.800 -0.882 0.000 2.739 315 G HA2 0.454 4.414 3.960 -0.000 0.000 0.291 315 G HA3 0.454 4.414 3.960 -0.000 0.000 0.291 315 G C -1.818 172.996 174.900 -0.144 0.000 1.478 315 G CA -0.382 44.473 45.100 -0.408 0.000 1.062 315 G HN 0.465 nan 8.290 nan 0.000 0.532 316 L N 4.053 125.199 121.223 -0.128 0.000 2.333 316 L HA 0.718 5.058 4.340 -0.000 0.000 0.280 316 L C -1.042 175.703 176.870 -0.208 0.000 1.004 316 L CA -0.865 53.865 54.840 -0.183 0.000 0.820 316 L CB 1.393 43.267 42.059 -0.307 0.000 1.247 316 L HN 0.424 nan 8.230 nan 0.000 0.416 317 I N 5.481 125.954 120.570 -0.162 0.000 2.389 317 I HA 0.334 4.504 4.170 -0.000 0.000 0.288 317 I C -0.250 175.734 176.117 -0.222 0.000 0.999 317 I CA -0.464 60.752 61.300 -0.140 0.000 1.129 317 I CB 1.832 39.808 38.000 -0.039 0.000 1.288 317 I HN 0.568 nan 8.210 nan 0.000 0.444 318 N N 6.574 125.125 118.700 -0.248 0.000 2.417 318 N HA 0.367 5.107 4.740 -0.000 0.000 0.274 318 N C -1.504 173.916 175.510 -0.150 0.000 0.987 318 N CA -0.300 52.592 53.050 -0.264 0.000 0.912 318 N CB 2.235 40.562 38.487 -0.267 0.000 1.177 318 N HN 0.247 nan 8.380 nan 0.000 0.490 319 V N 2.849 122.625 119.914 -0.229 0.000 2.328 319 V HA 0.464 4.584 4.120 -0.000 0.000 0.278 319 V C 0.658 176.706 176.094 -0.076 0.000 1.021 319 V CA -0.941 61.281 62.300 -0.131 0.000 0.838 319 V CB 0.638 32.331 31.823 -0.215 0.000 0.999 319 V HN 0.794 nan 8.190 nan 0.000 0.447 320 A N 4.133 126.979 122.820 0.042 0.000 2.406 320 A HA 0.346 4.666 4.320 -0.000 0.000 0.243 320 A C 0.389 178.017 177.584 0.073 0.000 1.082 320 A CA -0.093 52.012 52.037 0.114 0.000 0.786 320 A CB 0.182 19.248 19.000 0.112 0.000 1.029 320 A HN 0.877 nan 8.150 nan 0.000 0.495 321 Q N 0.222 120.060 119.800 0.063 0.000 2.333 321 Q HA 0.007 4.347 4.340 -0.000 0.000 0.299 321 Q C -0.125 175.799 176.000 -0.126 0.000 1.067 321 Q CA 0.730 56.453 55.803 -0.133 0.000 0.943 321 Q CB 0.025 28.600 28.738 -0.272 0.000 1.233 321 Q HN 0.900 nan 8.270 nan 0.000 0.401 322 H N -0.372 118.717 119.070 0.031 0.000 3.415 322 H HA -0.207 4.350 4.556 0.000 0.000 0.213 322 H C -0.380 174.948 175.328 0.000 0.000 1.091 322 H CA 0.963 57.021 56.048 0.016 0.000 1.182 322 H CB -1.841 27.941 29.762 0.034 0.000 1.160 322 H HN 0.619 nan 8.280 nan 0.000 0.319 323 A N 1.549 124.404 122.820 0.060 0.000 3.077 323 A HA 0.428 4.748 4.320 -0.000 0.000 0.255 323 A C 1.343 178.862 177.584 -0.108 0.000 1.728 323 A CA -0.141 51.903 52.037 0.012 0.000 1.383 323 A CB -1.274 17.745 19.000 0.032 0.000 1.097 323 A HN 0.455 nan 8.150 nan 0.000 0.634 324 I N -2.807 117.664 120.570 -0.164 0.000 2.836 324 I HA 0.239 4.409 4.170 -0.000 0.000 0.285 324 I C 0.383 176.152 176.117 -0.580 0.000 1.174 324 I CA -0.466 60.655 61.300 -0.298 0.000 1.405 324 I CB 0.338 38.189 38.000 -0.249 0.000 1.385 324 I HN 0.268 nan 8.210 nan 0.000 0.594 325 K N 1.105 121.233 120.400 -0.454 0.000 3.160 325 K HA -0.142 4.178 4.320 -0.000 0.000 0.280 325 K C -0.028 176.403 176.600 -0.283 0.000 1.154 325 K CA 0.845 56.883 56.287 -0.416 0.000 0.822 325 K CB -2.882 29.238 32.500 -0.633 0.000 1.239 325 K HN 0.937 nan 8.250 nan 0.000 0.489 326 T N 1.734 116.137 114.554 -0.252 0.000 2.901 326 T HA 0.129 4.479 4.350 -0.000 0.000 0.301 326 T C 0.081 174.645 174.700 -0.225 0.000 1.012 326 T CA -0.057 61.898 62.100 -0.242 0.000 1.135 326 T CB 0.843 69.491 68.868 -0.366 0.000 0.936 326 T HN 0.107 nan 8.240 nan 0.000 0.539 327 D N 2.386 122.681 120.400 -0.175 0.000 2.389 327 D HA 0.392 5.032 4.640 -0.000 0.000 0.256 327 D C -0.402 175.831 176.300 -0.112 0.000 1.239 327 D CA -0.381 53.546 54.000 -0.122 0.000 0.925 327 D CB 0.661 41.429 40.800 -0.053 0.000 1.145 327 D HN 0.669 nan 8.370 nan 0.000 0.542 328 G N 2.338 111.038 108.800 -0.167 0.000 2.530 328 G HA2 0.579 4.539 3.960 -0.000 0.000 0.316 328 G HA3 0.579 4.539 3.960 -0.000 0.000 0.316 328 G C -0.789 174.077 174.900 -0.057 0.000 1.298 328 G CA -0.474 44.569 45.100 -0.095 0.000 0.948 328 G HN 0.337 nan 8.290 nan 0.000 0.486 329 Q N 0.743 120.538 119.800 -0.009 0.000 2.397 329 Q HA 0.629 4.969 4.340 -0.000 0.000 0.275 329 Q C -0.994 175.029 176.000 0.038 0.000 1.090 329 Q CA -0.772 55.032 55.803 0.003 0.000 0.809 329 Q CB 3.301 32.033 28.738 -0.010 0.000 1.362 329 Q HN 0.596 nan 8.270 nan 0.000 0.431 330 M N 1.421 121.064 119.600 0.072 0.000 2.224 330 M HA 0.462 4.942 4.480 -0.000 0.000 0.281 330 M C -1.744 174.590 176.300 0.057 0.000 1.025 330 M CA -0.141 55.219 55.300 0.101 0.000 0.954 330 M CB 2.191 34.904 32.600 0.189 0.000 1.639 330 M HN 0.541 nan 8.290 nan 0.000 0.461 331 T N 4.130 118.673 114.554 -0.018 0.000 2.848 331 T HA 0.411 4.761 4.350 -0.000 0.000 0.285 331 T C -1.093 173.498 174.700 -0.180 0.000 0.995 331 T CA -0.727 61.328 62.100 -0.076 0.000 0.970 331 T CB 1.251 70.074 68.868 -0.075 0.000 0.976 331 T HN 0.735 nan 8.240 nan 0.000 0.441 332 N N 3.527 122.092 118.700 -0.225 0.000 2.531 332 N HA 0.191 4.931 4.740 -0.000 0.000 0.268 332 N C -1.409 174.008 175.510 -0.156 0.000 1.023 332 N CA -0.566 52.280 53.050 -0.338 0.000 0.896 332 N CB 0.660 38.774 38.487 -0.622 0.000 1.233 332 N HN 0.444 nan 8.380 nan 0.000 0.512 333 N N 2.752 121.398 118.700 -0.090 0.000 2.408 333 N HA 0.321 5.061 4.740 -0.000 0.000 0.280 333 N C -1.278 174.364 175.510 0.220 0.000 1.002 333 N CA -0.402 52.691 53.050 0.071 0.000 0.907 333 N CB 1.306 39.842 38.487 0.082 0.000 1.161 333 N HN 0.569 nan 8.380 nan 0.000 0.488 334 N N 1.929 120.730 118.700 0.168 0.000 2.354 334 N HA 0.282 5.022 4.740 -0.000 0.000 0.287 334 N C -1.097 174.409 175.510 -0.008 0.000 1.016 334 N CA -0.534 52.580 53.050 0.106 0.000 0.871 334 N CB 2.463 40.963 38.487 0.021 0.000 1.299 334 N HN 0.321 nan 8.380 nan 0.000 0.482 335 L N 3.142 124.286 121.223 -0.132 0.000 2.280 335 L HA 0.501 4.841 4.340 -0.000 0.000 0.287 335 L C -1.009 175.754 176.870 -0.178 0.000 1.023 335 L CA -0.427 54.226 54.840 -0.313 0.000 0.819 335 L CB 0.776 42.384 42.059 -0.751 0.000 1.212 335 L HN 0.391 nan 8.230 nan 0.000 0.420 336 L N 6.133 127.277 121.223 -0.133 0.000 2.282 336 L HA 0.485 4.825 4.340 -0.000 0.000 0.288 336 L C -0.468 176.347 176.870 -0.092 0.000 1.033 336 L CA -0.423 54.363 54.840 -0.090 0.000 0.807 336 L CB 1.417 43.437 42.059 -0.064 0.000 1.209 336 L HN 0.535 nan 8.230 nan 0.000 0.423 337 M N 3.771 123.324 119.600 -0.078 0.000 2.023 337 M HA 0.514 4.994 4.480 -0.000 0.000 0.325 337 M C 0.250 176.520 176.300 -0.049 0.000 0.963 337 M CA -0.324 54.934 55.300 -0.070 0.000 0.928 337 M CB 0.696 33.251 32.600 -0.075 0.000 1.429 337 M HN 0.778 nan 8.290 nan 0.000 0.404 338 G N 2.688 111.463 108.800 -0.042 0.000 2.587 338 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.686 338 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.686 338 G C -0.093 174.791 174.900 -0.026 0.000 1.236 338 G CA -0.941 44.141 45.100 -0.031 0.000 0.820 338 G HN 0.736 nan 8.290 nan 0.000 0.645 339 K N -0.047 120.341 120.400 -0.019 0.000 2.555 339 K HA 0.192 4.512 4.320 -0.000 0.000 0.193 339 K C 1.742 178.336 176.600 -0.011 0.000 1.032 339 K CA 0.781 57.059 56.287 -0.015 0.000 1.004 339 K CB 0.101 32.594 32.500 -0.011 0.000 0.804 339 K HN 0.413 nan 8.250 nan 0.000 0.496 340 L N 0.122 121.338 121.223 -0.011 0.000 2.766 340 L HA 0.257 4.597 4.340 -0.000 0.000 0.242 340 L C 0.687 177.553 176.870 -0.007 0.000 1.136 340 L CA -0.514 54.323 54.840 -0.005 0.000 0.933 340 L CB 0.302 42.359 42.059 -0.003 0.000 1.241 340 L HN -0.015 nan 8.230 nan 0.000 0.522 341 A N 0.931 123.742 122.820 -0.015 0.000 2.386 341 A HA 0.476 4.796 4.320 -0.000 0.000 0.248 341 A C -0.084 177.489 177.584 -0.018 0.000 1.082 341 A CA 0.137 52.163 52.037 -0.018 0.000 0.789 341 A CB 0.393 19.376 19.000 -0.029 0.000 1.025 341 A HN 0.305 nan 8.150 nan 0.000 0.490 342 E N -0.526 119.662 120.200 -0.020 0.000 2.340 342 E HA 0.569 4.919 4.350 -0.000 0.000 0.273 342 E C -1.775 174.799 176.600 -0.044 0.000 0.891 342 E CA -0.716 55.668 56.400 -0.027 0.000 0.757 342 E CB 2.506 32.199 29.700 -0.012 0.000 1.231 342 E HN 0.476 nan 8.360 nan 0.000 0.439 343 V N 2.173 122.046 119.914 -0.069 0.000 2.777 343 V HA 0.360 4.480 4.120 -0.000 0.000 0.306 343 V C -1.919 174.075 176.094 -0.166 0.000 1.112 343 V CA -0.499 61.748 62.300 -0.090 0.000 0.917 343 V CB 1.998 33.788 31.823 -0.056 0.000 1.018 343 V HN 0.668 nan 8.190 nan 0.000 0.426 344 D N 3.941 124.184 120.400 -0.262 0.000 2.502 344 D HA 0.479 5.119 4.640 -0.000 0.000 0.249 344 D C -0.852 175.283 176.300 -0.275 0.000 1.092 344 D CA -0.069 53.642 54.000 -0.481 0.000 0.839 344 D CB 2.237 42.262 40.800 -1.291 0.000 1.264 344 D HN 0.610 nan 8.370 nan 0.000 0.511 345 T N 1.092 115.553 114.554 -0.156 0.000 2.921 345 T HA 0.418 4.768 4.350 -0.000 0.000 0.297 345 T C -1.158 173.549 174.700 0.012 0.000 1.013 345 T CA -0.683 61.423 62.100 0.011 0.000 0.990 345 T CB 0.850 69.771 68.868 0.089 0.000 1.023 345 T HN 0.214 nan 8.240 nan 0.000 0.447 346 K N 5.347 125.756 120.400 0.015 0.000 2.827 346 K HA 0.336 4.656 4.320 -0.000 0.000 0.186 346 K C -2.811 173.744 176.600 -0.076 0.000 1.093 346 K CA -1.693 54.577 56.287 -0.028 0.000 0.993 346 K CB 1.676 34.168 32.500 -0.014 0.000 1.199 346 K HN 0.393 nan 8.250 nan 0.000 0.598 347 P HA 0.103 nan 4.420 nan 0.000 0.282 347 P C -0.962 176.271 177.300 -0.113 0.000 1.262 347 P CA -0.233 62.824 63.100 -0.073 0.000 0.773 347 P CB 1.038 32.562 31.700 -0.294 0.000 0.879 348 Q N 1.849 121.679 119.800 0.050 0.000 2.423 348 Q HA 0.716 5.056 4.340 -0.000 0.000 0.278 348 Q C -0.886 175.175 176.000 0.102 0.000 1.097 348 Q CA -0.854 55.013 55.803 0.105 0.000 0.809 348 Q CB 2.468 31.200 28.738 -0.010 0.000 1.391 348 Q HN 0.365 nan 8.270 nan 0.000 0.428 349 L N 1.096 122.339 121.223 0.033 0.000 2.436 349 L HA 0.513 4.853 4.340 -0.000 0.000 0.268 349 L C -0.924 175.841 176.870 -0.175 0.000 0.974 349 L CA -0.519 54.258 54.840 -0.105 0.000 0.826 349 L CB 2.289 44.236 42.059 -0.186 0.000 1.291 349 L HN 0.589 nan 8.230 nan 0.000 0.406 350 E N 4.655 124.682 120.200 -0.288 0.000 2.331 350 E HA 0.438 4.788 4.350 -0.000 0.000 0.243 350 E C -1.175 174.929 176.600 -0.826 0.000 0.925 350 E CA -0.471 55.650 56.400 -0.466 0.000 0.760 350 E CB 1.839 31.315 29.700 -0.373 0.000 1.254 350 E HN 0.271 nan 8.360 nan 0.000 0.419 351 I N 3.110 123.240 120.570 -0.735 0.000 2.382 351 I HA 0.181 4.351 4.170 -0.000 0.000 0.285 351 I C -0.242 175.596 176.117 -0.465 0.000 1.007 351 I CA -0.522 60.437 61.300 -0.569 0.000 1.142 351 I CB 0.313 38.134 38.000 -0.298 0.000 1.289 351 I HN 0.631 nan 8.210 nan 0.000 0.453 352 Y N 4.073 124.317 120.300 -0.094 0.000 2.696 352 Y HA 0.627 5.177 4.550 -0.001 0.000 0.260 352 Y C 0.847 176.672 175.900 -0.125 0.000 1.165 352 Y CA -0.599 57.441 58.100 -0.101 0.000 1.189 352 Y CB 0.946 39.349 38.460 -0.095 0.000 1.180 352 Y HN 0.619 nan 8.280 nan 0.000 0.538 353 A N 0.534 123.333 122.820 -0.036 0.000 2.393 353 A HA 0.358 4.678 4.320 -0.000 0.000 0.306 353 A C 0.064 177.603 177.584 -0.074 0.000 1.050 353 A CA -0.622 51.376 52.037 -0.065 0.000 0.724 353 A CB 1.000 19.952 19.000 -0.079 0.000 1.248 353 A HN 0.271 nan 8.150 nan 0.000 0.424 354 D N 0.830 121.195 120.400 -0.058 0.000 2.216 354 D HA -0.086 4.554 4.640 -0.000 0.000 0.208 354 D C 0.167 176.426 176.300 -0.069 0.000 0.960 354 D CA 0.759 54.725 54.000 -0.056 0.000 0.861 354 D CB -0.135 40.644 40.800 -0.035 0.000 0.985 354 D HN 0.397 nan 8.370 nan 0.000 0.493 355 D N 1.097 121.454 120.400 -0.071 0.000 2.688 355 D HA 0.170 4.810 4.640 -0.000 0.000 0.228 355 D C -0.195 176.031 176.300 -0.123 0.000 1.116 355 D CA -0.285 53.665 54.000 -0.085 0.000 1.023 355 D CB -0.248 40.505 40.800 -0.077 0.000 1.100 355 D HN 0.117 nan 8.370 nan 0.000 0.487 356 V N -1.391 118.451 119.914 -0.121 0.000 3.159 356 V HA 0.637 4.757 4.120 -0.000 0.000 0.308 356 V C -0.816 175.201 176.094 -0.128 0.000 1.190 356 V CA -1.144 61.067 62.300 -0.149 0.000 1.037 356 V CB 2.267 33.984 31.823 -0.178 0.000 1.060 356 V HN -0.025 nan 8.190 nan 0.000 0.437 357 K N 1.290 121.607 120.400 -0.137 0.000 2.575 357 K HA 0.712 5.032 4.320 -0.000 0.000 0.236 357 K C -1.613 174.905 176.600 -0.137 0.000 0.976 357 K CA -0.194 56.025 56.287 -0.115 0.000 0.985 357 K CB 1.392 33.841 32.500 -0.086 0.000 1.198 357 K HN 0.872 nan 8.250 nan 0.000 0.464 358 C N 1.578 120.790 119.300 -0.147 0.000 2.563 358 C HA 0.742 5.202 4.460 -0.000 0.000 0.314 358 C C -0.311 174.585 174.990 -0.156 0.000 1.199 358 C CA -0.645 58.274 59.018 -0.165 0.000 1.564 358 C CB 1.190 28.806 27.740 -0.207 0.000 2.173 358 C HN 0.926 nan 8.230 nan 0.000 0.485 359 S N 1.425 117.044 115.700 -0.135 0.000 2.565 359 S HA 0.772 5.242 4.470 -0.000 0.000 0.269 359 S C -1.324 173.249 174.600 -0.045 0.000 1.153 359 S CA -0.783 57.336 58.200 -0.134 0.000 0.835 359 S CB 1.308 64.466 63.200 -0.070 0.000 1.122 359 S HN 1.041 nan 8.310 nan 0.000 0.462 360 H N -1.241 117.815 119.070 -0.022 0.000 3.008 360 H HA 0.844 5.400 4.556 -0.000 0.000 0.354 360 H C -0.551 174.772 175.328 -0.007 0.000 1.252 360 H CA -1.372 54.673 56.048 -0.006 0.000 1.117 360 H CB 1.577 31.348 29.762 0.015 0.000 1.857 360 H HN 1.119 nan 8.280 nan 0.000 0.547 361 G N -0.314 108.574 108.800 0.148 0.000 2.733 361 G HA2 0.626 4.586 3.960 -0.000 0.000 0.297 361 G HA3 0.626 4.586 3.960 -0.000 0.000 0.297 361 G C -1.874 173.007 174.900 -0.032 0.000 1.422 361 G CA -0.381 44.753 45.100 0.057 0.000 0.942 361 G HN 0.845 nan 8.290 nan 0.000 0.510 362 A N 0.586 123.384 122.820 -0.038 0.000 2.427 362 A HA 0.939 5.259 4.320 -0.000 0.000 0.298 362 A C -0.171 177.398 177.584 -0.025 0.000 1.036 362 A CA -0.133 51.869 52.037 -0.058 0.000 0.701 362 A CB 1.766 20.723 19.000 -0.072 0.000 1.250 362 A HN 1.812 nan 8.150 nan 0.000 0.412 363 T N -1.208 113.337 114.554 -0.015 0.000 2.893 363 T HA 0.785 5.135 4.350 -0.000 0.000 0.291 363 T C -0.921 173.785 174.700 0.009 0.000 1.028 363 T CA -0.730 61.374 62.100 0.006 0.000 0.995 363 T CB 1.535 70.420 68.868 0.029 0.000 1.051 363 T HN 1.047 nan 8.240 nan 0.000 0.470 364 V N 1.227 121.140 119.914 -0.000 0.000 2.686 364 V HA 0.923 5.043 4.120 -0.000 0.000 0.306 364 V C 0.441 176.523 176.094 -0.021 0.000 1.065 364 V CA -0.082 62.210 62.300 -0.013 0.000 0.894 364 V CB 1.464 33.274 31.823 -0.022 0.000 1.004 364 V HN 1.511 nan 8.190 nan 0.000 0.424 365 G N 3.991 112.767 108.800 -0.041 0.000 2.488 365 G HA2 0.669 4.629 3.960 -0.000 0.000 0.301 365 G HA3 0.669 4.629 3.960 -0.000 0.000 0.301 365 G C -1.388 173.461 174.900 -0.085 0.000 1.339 365 G CA -0.677 44.393 45.100 -0.049 0.000 0.803 365 G HN 0.843 nan 8.290 nan 0.000 0.482 366 R N -1.394 119.058 120.500 -0.078 0.000 3.006 366 R HA 0.781 5.121 4.340 -0.000 0.000 0.235 366 R C -0.392 175.848 176.300 -0.101 0.000 1.362 366 R CA -1.021 55.020 56.100 -0.099 0.000 1.067 366 R CB 1.026 31.285 30.300 -0.069 0.000 1.396 366 R HN 0.340 nan 8.270 nan 0.000 0.504 367 I N 2.302 122.812 120.570 -0.100 0.000 2.505 367 I HA 0.019 4.189 4.170 -0.000 0.000 0.287 367 I C -0.339 175.758 176.117 -0.033 0.000 1.104 367 I CA -0.003 61.252 61.300 -0.074 0.000 1.387 367 I CB 0.398 38.357 38.000 -0.068 0.000 1.404 367 I HN 0.415 nan 8.210 nan 0.000 0.528 368 D N 5.752 126.145 120.400 -0.012 0.000 2.414 368 D HA -0.002 4.638 4.640 -0.000 0.000 0.242 368 D C 0.776 177.091 176.300 0.025 0.000 1.129 368 D CA 0.014 54.018 54.000 0.007 0.000 0.885 368 D CB 0.988 41.800 40.800 0.021 0.000 1.198 368 D HN 0.453 nan 8.370 nan 0.000 0.437 369 D N 1.340 121.751 120.400 0.018 0.000 2.182 369 D HA -0.158 4.482 4.640 -0.000 0.000 0.201 369 D C 1.513 177.852 176.300 0.064 0.000 0.986 369 D CA 1.191 55.210 54.000 0.031 0.000 0.847 369 D CB 0.147 40.952 40.800 0.009 0.000 0.942 369 D HN 0.529 nan 8.370 nan 0.000 0.467 370 E N 0.295 120.528 120.200 0.054 0.000 2.085 370 E HA -0.249 4.100 4.350 -0.000 0.000 0.194 370 E C 2.024 178.772 176.600 0.247 0.000 0.994 370 E CA 0.856 57.318 56.400 0.104 0.000 0.801 370 E CB -0.095 29.667 29.700 0.102 0.000 0.743 370 E HN 0.350 nan 8.360 nan 0.000 0.453 371 Q N 0.574 120.487 119.800 0.187 0.000 2.079 371 Q HA -0.117 4.223 4.340 -0.000 0.000 0.200 371 Q C 2.200 178.312 176.000 0.188 0.000 0.974 371 Q CA 0.924 56.852 55.803 0.207 0.000 0.840 371 Q CB 0.016 28.825 28.738 0.117 0.000 0.898 371 Q HN 0.315 nan 8.270 nan 0.000 0.430 372 I N 0.268 120.908 120.570 0.117 0.000 2.676 372 I HA -0.188 3.982 4.170 -0.000 0.000 0.259 372 I C 1.802 177.945 176.117 0.043 0.000 1.194 372 I CA 0.338 61.680 61.300 0.069 0.000 1.473 372 I CB -0.006 38.016 38.000 0.035 0.000 1.096 372 I HN 0.283 nan 8.210 nan 0.000 0.443 373 F N 1.041 120.924 119.950 -0.111 0.000 2.095 373 F HA -0.310 4.217 4.527 0.000 0.000 0.298 373 F C 1.814 177.416 175.800 -0.328 0.000 1.104 373 F CA 1.901 59.736 58.000 -0.275 0.000 1.232 373 F CB -0.594 38.121 39.000 -0.475 0.000 0.987 373 F HN 0.090 nan 8.300 nan 0.000 0.475 374 Y N -0.204 120.115 120.300 0.033 0.000 2.509 374 Y HA -0.075 4.475 4.550 -0.000 0.000 0.293 374 Y C 2.120 177.959 175.900 -0.101 0.000 1.133 374 Y CA 0.712 58.777 58.100 -0.057 0.000 1.283 374 Y CB -0.330 38.180 38.460 0.084 0.000 1.001 374 Y HN 0.112 nan 8.280 nan 0.000 0.555 375 L N -0.939 120.292 121.223 0.013 0.000 2.127 375 L HA -0.076 4.264 4.340 -0.000 0.000 0.203 375 L C 2.402 179.219 176.870 -0.089 0.000 1.080 375 L CA 0.610 55.443 54.840 -0.012 0.000 0.768 375 L CB -0.322 41.747 42.059 0.016 0.000 0.924 375 L HN 0.050 nan 8.230 nan 0.000 0.444 376 R N 0.452 120.860 120.500 -0.154 0.000 2.096 376 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 376 R C 2.493 178.642 176.300 -0.252 0.000 1.127 376 R CA 1.640 57.630 56.100 -0.184 0.000 0.968 376 R CB -0.855 29.327 30.300 -0.196 0.000 0.861 376 R HN 0.485 nan 8.270 nan 0.000 0.440 377 S N 0.582 116.038 115.700 -0.406 0.000 2.442 377 S HA -0.102 4.368 4.470 -0.000 0.000 0.236 377 S C 1.703 176.198 174.600 -0.174 0.000 1.007 377 S CA 0.767 58.740 58.200 -0.377 0.000 0.965 377 S CB -0.158 62.714 63.200 -0.548 0.000 0.773 377 S HN 0.303 nan 8.310 nan 0.000 0.504 378 R N 0.630 121.060 120.500 -0.117 0.000 2.310 378 R HA 0.291 4.631 4.340 -0.000 0.000 0.202 378 R C 1.556 177.823 176.300 -0.054 0.000 0.933 378 R CA 0.424 56.488 56.100 -0.060 0.000 1.054 378 R CB -0.153 30.129 30.300 -0.030 0.000 0.985 378 R HN 0.595 nan 8.270 nan 0.000 0.489 379 G N 1.212 109.970 108.800 -0.071 0.000 2.175 379 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.244 379 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.244 379 G C 0.202 175.077 174.900 -0.042 0.000 0.982 379 G CA -0.464 44.604 45.100 -0.053 0.000 0.641 379 G HN 0.204 nan 8.290 nan 0.000 0.527 380 I N 2.244 122.788 120.570 -0.043 0.000 2.556 380 I HA 0.179 4.349 4.170 -0.000 0.000 0.284 380 I C 1.021 177.120 176.117 -0.030 0.000 1.114 380 I CA -0.457 60.826 61.300 -0.028 0.000 1.418 380 I CB 0.463 38.452 38.000 -0.018 0.000 1.394 380 I HN 0.465 nan 8.210 nan 0.000 0.552 381 N N 4.709 123.397 118.700 -0.020 0.000 2.354 381 N HA -0.036 4.704 4.740 -0.000 0.000 0.246 381 N C 0.522 176.021 175.510 -0.018 0.000 1.285 381 N CA -0.405 52.633 53.050 -0.020 0.000 0.925 381 N CB 0.492 38.970 38.487 -0.014 0.000 1.174 381 N HN 0.560 nan 8.380 nan 0.000 0.478 382 Q N -0.185 119.604 119.800 -0.019 0.000 2.030 382 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 382 Q C 1.660 177.652 176.000 -0.013 0.000 0.986 382 Q CA 2.039 57.832 55.803 -0.017 0.000 0.843 382 Q CB -0.242 28.486 28.738 -0.017 0.000 0.904 382 Q HN 0.764 nan 8.270 nan 0.000 0.420 383 Q N -0.370 119.423 119.800 -0.011 0.000 2.084 383 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 383 Q C 1.695 177.694 176.000 -0.002 0.000 0.978 383 Q CA 1.401 57.198 55.803 -0.011 0.000 0.844 383 Q CB -0.060 28.672 28.738 -0.009 0.000 0.898 383 Q HN 0.497 nan 8.270 nan 0.000 0.426 384 D N 0.534 120.937 120.400 0.006 0.000 2.117 384 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 384 D C 1.763 178.079 176.300 0.026 0.000 0.987 384 D CA 1.336 55.348 54.000 0.021 0.000 0.829 384 D CB -0.219 40.591 40.800 0.017 0.000 0.961 384 D HN 0.242 nan 8.370 nan 0.000 0.460 385 A N 0.747 123.574 122.820 0.012 0.000 1.902 385 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 385 A C 2.127 179.719 177.584 0.014 0.000 1.181 385 A CA 1.590 53.635 52.037 0.014 0.000 0.623 385 A CB -0.660 18.341 19.000 0.000 0.000 0.818 385 A HN 0.234 nan 8.150 nan 0.000 0.443 386 Q N -0.717 119.081 119.800 -0.004 0.000 2.084 386 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 386 Q C 2.351 178.333 176.000 -0.030 0.000 0.978 386 Q CA 1.647 57.436 55.803 -0.023 0.000 0.844 386 Q CB -0.223 28.492 28.738 -0.039 0.000 0.898 386 Q HN 0.755 nan 8.270 nan 0.000 0.426 387 Q N 0.107 119.896 119.800 -0.018 0.000 2.084 387 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 387 Q C 2.131 178.178 176.000 0.078 0.000 0.978 387 Q CA 1.341 57.127 55.803 -0.029 0.000 0.844 387 Q CB -0.128 28.636 28.738 0.042 0.000 0.898 387 Q HN 0.453 nan 8.270 nan 0.000 0.426 388 M N 0.052 119.727 119.600 0.124 0.000 2.080 388 M HA -0.202 4.278 4.480 -0.000 0.000 0.260 388 M C 2.150 178.532 176.300 0.138 0.000 1.068 388 M CA 1.503 56.900 55.300 0.161 0.000 1.109 388 M CB -0.294 32.365 32.600 0.099 0.000 1.342 388 M HN 0.206 nan 8.290 nan 0.000 0.405 389 I N -0.028 120.589 120.570 0.078 0.000 2.315 389 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 389 I C 2.197 178.362 176.117 0.081 0.000 1.117 389 I CA 1.267 62.609 61.300 0.070 0.000 1.404 389 I CB -0.285 37.732 38.000 0.028 0.000 1.071 389 I HN 0.261 nan 8.210 nan 0.000 0.419 390 I N -0.522 120.056 120.570 0.013 0.000 2.252 390 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 390 I C 2.354 178.514 176.117 0.072 0.000 1.102 390 I CA 1.603 62.896 61.300 -0.010 0.000 1.385 390 I CB -0.440 37.471 38.000 -0.149 0.000 1.064 390 I HN 0.139 nan 8.210 nan 0.000 0.414 391 Y N 0.730 121.081 120.300 0.085 0.000 2.224 391 Y HA -0.275 4.275 4.550 -0.000 0.000 0.289 391 Y C 2.685 178.638 175.900 0.087 0.000 1.146 391 Y CA 1.024 59.169 58.100 0.075 0.000 1.182 391 Y CB -0.325 38.158 38.460 0.039 0.000 0.983 391 Y HN 0.149 nan 8.280 nan 0.000 0.524 392 A N -0.319 122.651 122.820 0.250 0.000 1.933 392 A HA -0.231 4.088 4.320 -0.000 0.000 0.218 392 A C 1.992 179.686 177.584 0.184 0.000 1.175 392 A CA 1.422 53.564 52.037 0.176 0.000 0.628 392 A CB -1.173 17.912 19.000 0.143 0.000 0.814 392 A HN 0.554 nan 8.150 nan 0.000 0.444 393 F N 0.853 120.834 119.950 0.052 0.000 2.171 393 F HA -0.003 4.523 4.527 -0.001 0.000 0.300 393 F C 2.289 178.112 175.800 0.038 0.000 1.090 393 F CA 1.223 59.240 58.000 0.029 0.000 1.293 393 F CB -0.161 38.843 39.000 0.007 0.000 1.013 393 F HN 0.215 nan 8.300 nan 0.000 0.486 394 A N -0.325 122.582 122.820 0.144 0.000 2.218 394 A HA 0.328 4.648 4.320 -0.000 0.000 0.209 394 A C 2.220 179.845 177.584 0.069 0.000 1.168 394 A CA 0.756 52.836 52.037 0.072 0.000 0.804 394 A CB -1.159 17.950 19.000 0.183 0.000 0.834 394 A HN 0.408 nan 8.150 nan 0.000 0.482 395 A N 0.381 123.245 122.820 0.073 0.000 1.940 395 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 395 A C 1.923 179.519 177.584 0.020 0.000 1.176 395 A CA 1.773 53.845 52.037 0.059 0.000 0.631 395 A CB -0.485 18.547 19.000 0.053 0.000 0.814 395 A HN 0.642 nan 8.150 nan 0.000 0.446 396 E N -0.250 119.938 120.200 -0.020 0.000 2.160 396 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 396 E C 1.801 178.397 176.600 -0.007 0.000 0.991 396 E CA 1.133 57.516 56.400 -0.027 0.000 0.810 396 E CB -0.173 29.489 29.700 -0.064 0.000 0.742 396 E HN 0.685 nan 8.360 nan 0.000 0.466 397 L N -0.056 121.171 121.223 0.007 0.000 2.102 397 L HA -0.058 4.282 4.340 -0.000 0.000 0.202 397 L C 2.816 179.805 176.870 0.198 0.000 1.076 397 L CA 1.457 56.337 54.840 0.067 0.000 0.761 397 L CB -0.602 41.474 42.059 0.028 0.000 0.921 397 L HN 0.268 nan 8.230 nan 0.000 0.444 398 T N -3.842 110.830 114.554 0.196 0.000 2.995 398 T HA -0.067 4.283 4.350 -0.000 0.000 0.269 398 T C 1.608 176.313 174.700 0.008 0.000 1.091 398 T CA 0.523 62.697 62.100 0.125 0.000 1.128 398 T CB -0.140 68.769 68.868 0.069 0.000 0.891 398 T HN 0.137 nan 8.240 nan 0.000 0.492 399 E N 1.463 121.664 120.200 0.002 0.000 2.418 399 E HA 0.156 4.506 4.350 -0.000 0.000 0.197 399 E C 2.301 178.863 176.600 -0.063 0.000 1.026 399 E CA 0.788 57.168 56.400 -0.032 0.000 0.862 399 E CB -0.395 29.294 29.700 -0.019 0.000 0.799 399 E HN 0.734 nan 8.360 nan 0.000 0.518 400 A N 0.672 123.435 122.820 -0.095 0.000 2.121 400 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 400 A C 1.307 178.748 177.584 -0.239 0.000 1.154 400 A CA 0.218 52.127 52.037 -0.214 0.000 0.679 400 A CB -0.294 18.410 19.000 -0.494 0.000 0.795 400 A HN 0.131 nan 8.150 nan 0.000 0.458 401 L N 0.695 121.818 121.223 -0.166 0.000 2.407 401 L HA 0.169 4.509 4.340 -0.000 0.000 0.282 401 L C 1.396 178.200 176.870 -0.109 0.000 1.110 401 L CA -0.461 54.295 54.840 -0.140 0.000 0.863 401 L CB 0.488 42.455 42.059 -0.155 0.000 1.207 401 L HN 0.342 nan 8.230 nan 0.000 0.454 402 R N 0.872 121.314 120.500 -0.097 0.000 2.073 402 R HA -0.094 4.246 4.340 -0.000 0.000 0.234 402 R C 0.761 177.018 176.300 -0.071 0.000 1.134 402 R CA 0.866 56.918 56.100 -0.080 0.000 0.952 402 R CB -0.033 30.222 30.300 -0.076 0.000 0.850 402 R HN 0.625 nan 8.270 nan 0.000 0.433 403 D N 1.077 121.435 120.400 -0.070 0.000 2.382 403 D HA -0.080 4.560 4.640 -0.000 0.000 0.259 403 D C 0.625 176.881 176.300 -0.073 0.000 1.224 403 D CA 0.215 54.176 54.000 -0.065 0.000 0.894 403 D CB 1.310 42.073 40.800 -0.062 0.000 1.127 403 D HN 0.038 nan 8.370 nan 0.000 0.487 404 E N 3.126 123.288 120.200 -0.065 0.000 2.077 404 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 404 E C 1.921 178.479 176.600 -0.070 0.000 0.989 404 E CA 1.719 58.079 56.400 -0.067 0.000 0.800 404 E CB -0.451 29.214 29.700 -0.058 0.000 0.746 404 E HN 0.684 nan 8.360 nan 0.000 0.452 405 G N 0.626 109.389 108.800 -0.062 0.000 2.418 405 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.217 405 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.217 405 G C 1.508 176.365 174.900 -0.071 0.000 1.158 405 G CA 0.951 46.016 45.100 -0.059 0.000 0.771 405 G HN 0.358 nan 8.290 nan 0.000 0.545 406 L N 0.772 121.945 121.223 -0.082 0.000 2.046 406 L HA 0.087 4.427 4.340 -0.000 0.000 0.208 406 L C 2.628 179.424 176.870 -0.122 0.000 1.077 406 L CA 2.377 57.156 54.840 -0.103 0.000 0.747 406 L CB -0.532 41.460 42.059 -0.112 0.000 0.896 406 L HN 0.229 nan 8.230 nan 0.000 0.432 407 K N -1.206 119.119 120.400 -0.125 0.000 2.063 407 K HA -0.216 4.103 4.320 -0.000 0.000 0.208 407 K C 2.055 178.580 176.600 -0.124 0.000 1.048 407 K CA 1.510 57.710 56.287 -0.145 0.000 0.928 407 K CB -0.049 32.378 32.500 -0.122 0.000 0.713 407 K HN 0.401 nan 8.250 nan 0.000 0.442 408 Q N 0.644 120.385 119.800 -0.098 0.000 2.124 408 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 408 Q C 2.044 178.003 176.000 -0.068 0.000 0.977 408 Q CA 1.472 57.223 55.803 -0.086 0.000 0.850 408 Q CB -0.130 28.564 28.738 -0.073 0.000 0.901 408 Q HN 0.508 nan 8.270 nan 0.000 0.429 409 Q N -0.354 119.411 119.800 -0.059 0.000 2.079 409 Q HA -0.083 4.257 4.340 -0.000 0.000 0.200 409 Q C 2.215 178.207 176.000 -0.014 0.000 0.974 409 Q CA 1.294 57.081 55.803 -0.026 0.000 0.840 409 Q CB 0.075 28.802 28.738 -0.018 0.000 0.898 409 Q HN 0.159 nan 8.270 nan 0.000 0.430 410 V N 1.008 120.891 119.914 -0.050 0.000 2.427 410 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 410 V C 2.128 178.174 176.094 -0.080 0.000 1.051 410 V CA 1.384 63.639 62.300 -0.074 0.000 1.048 410 V CB -0.438 31.193 31.823 -0.321 0.000 0.666 410 V HN 0.340 nan 8.190 nan 0.000 0.456 411 L N 0.175 121.363 121.223 -0.058 0.000 2.083 411 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 411 L C 2.690 179.607 176.870 0.078 0.000 1.083 411 L CA 1.460 56.325 54.840 0.041 0.000 0.752 411 L CB -0.731 41.292 42.059 -0.060 0.000 0.899 411 L HN 0.361 nan 8.230 nan 0.000 0.433 412 A N 0.089 122.909 122.820 -0.000 0.000 1.930 412 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 412 A C 2.348 179.905 177.584 -0.045 0.000 1.175 412 A CA 1.615 53.651 52.037 -0.001 0.000 0.627 412 A CB -0.409 18.580 19.000 -0.019 0.000 0.815 412 A HN 0.284 nan 8.150 nan 0.000 0.443 413 R N 0.129 120.548 120.500 -0.134 0.000 2.092 413 R HA 0.056 4.396 4.340 -0.000 0.000 0.231 413 R C 1.706 177.889 176.300 -0.193 0.000 1.119 413 R CA 1.468 57.394 56.100 -0.291 0.000 0.970 413 R CB -0.655 29.193 30.300 -0.754 0.000 0.864 413 R HN 0.542 nan 8.270 nan 0.000 0.440 414 I N -0.210 120.307 120.570 -0.088 0.000 2.226 414 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 414 I C 2.228 178.313 176.117 -0.054 0.000 1.100 414 I CA 1.538 62.819 61.300 -0.032 0.000 1.374 414 I CB -0.649 37.392 38.000 0.068 0.000 1.057 414 I HN 0.436 nan 8.210 nan 0.000 0.413 415 G N -0.068 108.749 108.800 0.028 0.000 2.475 415 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.220 415 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.220 415 G C 1.531 176.419 174.900 -0.020 0.000 1.125 415 G CA 0.506 45.630 45.100 0.041 0.000 0.755 415 G HN 0.441 nan 8.290 nan 0.000 0.565 416 Q N -0.536 119.241 119.800 -0.038 0.000 2.364 416 Q HA 0.033 4.373 4.340 -0.000 0.000 0.207 416 Q C 2.260 178.231 176.000 -0.049 0.000 0.970 416 Q CA 0.564 56.341 55.803 -0.043 0.000 0.888 416 Q CB 0.048 28.752 28.738 -0.056 0.000 0.951 416 Q HN 0.409 nan 8.270 nan 0.000 0.469 417 R N -0.430 120.031 120.500 -0.065 0.000 2.362 417 R HA 0.227 4.566 4.340 -0.000 0.000 0.227 417 R C 0.017 176.272 176.300 -0.075 0.000 0.905 417 R CA -0.153 55.910 56.100 -0.062 0.000 1.067 417 R CB 0.489 30.753 30.300 -0.060 0.000 1.078 417 R HN 0.091 nan 8.270 nan 0.000 0.516 418 L N 1.574 122.742 121.223 -0.092 0.000 2.421 418 L HA 0.350 4.690 4.340 -0.000 0.000 0.263 418 L C -2.067 174.761 176.870 -0.070 0.000 1.122 418 L CA -2.388 52.386 54.840 -0.110 0.000 0.804 418 L CB 0.442 42.402 42.059 -0.164 0.000 1.150 418 L HN -0.264 nan 8.230 nan 0.000 0.457 419 P HA 0.048 nan 4.420 nan 0.000 0.262 419 P C 0.661 177.942 177.300 -0.032 0.000 1.199 419 P CA 0.719 63.792 63.100 -0.045 0.000 0.763 419 P CB 0.562 32.235 31.700 -0.045 0.000 0.790 420 G N 2.589 111.375 108.800 -0.023 0.000 2.205 420 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.261 420 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.261 420 G C 0.649 175.543 174.900 -0.010 0.000 0.980 420 G CA 0.324 45.416 45.100 -0.013 0.000 0.632 420 G HN 0.971 nan 8.290 nan 0.000 0.533 421 G N 0.000 108.790 108.800 -0.017 0.000 5.446 421 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 421 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 421 G CA 0.000 45.093 45.100 -0.012 0.000 0.502 421 G HN 0.000 nan 8.290 nan 0.000 0.925