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 2exh_1_A DATA FIRST_RESID 3 DATA SEQUENCE KIKNPILTGF HPDPSICRVG DDYYIAVSTF EWFPGVRIYH SKDLKNWRLV DATA SEQUENCE ARPLNRLSQL NMIGNPDSGG VWAPHLSYSD GKFWLIYTDV KVVEGQWKDG DATA SEQUENCE HNYLVTCDTI DGAWSDPIYL NSSGFDPSLF HDEDGRKYLV NMYWDHRVDH DATA SEQUENCE HPFYGIVLQE YSVEQKKLVG EPKIIFKGTD LRITEGPHLY KINGYYYLLT DATA SEQUENCE AEGGTRYNHA ATIARSTSLY GPYEVHPDNP LLTSWPYPRN PLQKAGHASI DATA SEQUENCE VHTHTDEWFL VHLTGRPLPR EGQPLLEHRG YCPLGRETAI QRLEWKDGWP DATA SEQUENCE YVVGGNGPSL EIDGPSVEEV SWEKDYDEKD DFDGDTLNHH FQTLRIPLGE DATA SEQUENCE DIATLKARPG HLRLYGRESL TSRFTQAFVA RRWQHFHFVA ETKVSFRPTT DATA SEQUENCE FQQSAGLVNY YNTQNWTTLQ ITWHEEKGRI LELMTCDHLV VDQPLRGREI DATA SEQUENCE VVPDDIEYVY LRVTVQATTY KYSYSFDGMN WIDLPVTFES YKLSDDYIKS DATA SEQUENCE RAAFTGAFVG MHCRDGSGQN NYADFDYFLY KEL 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.610 176.600 0.017 0.000 0.988 3 K CA 0.000 56.298 56.287 0.018 0.000 0.838 3 K CB 0.000 32.506 32.500 0.010 0.000 1.064 4 I N 3.300 123.890 120.570 0.033 0.000 2.321 4 I HA 0.235 4.405 4.170 0.000 0.000 0.291 4 I C -0.305 175.843 176.117 0.052 0.000 0.998 4 I CA -0.495 60.828 61.300 0.038 0.000 1.227 4 I CB 1.490 39.513 38.000 0.038 0.000 1.368 4 I HN -0.014 nan 8.210 nan 0.000 0.466 5 K N 6.176 126.606 120.400 0.050 0.000 2.211 5 K HA 0.322 4.642 4.320 0.000 0.000 0.275 5 K C -0.485 176.147 176.600 0.053 0.000 1.024 5 K CA -0.652 55.668 56.287 0.054 0.000 0.887 5 K CB 0.836 33.369 32.500 0.054 0.000 1.084 5 K HN 0.519 nan 8.250 nan 0.000 0.463 6 N N 3.717 122.450 118.700 0.054 0.000 2.515 6 N HA 0.311 5.052 4.740 0.000 0.000 0.279 6 N C -2.493 173.043 175.510 0.043 0.000 1.164 6 N CA -1.419 51.652 53.050 0.036 0.000 0.982 6 N CB 0.975 39.491 38.487 0.048 0.000 1.170 6 N HN 0.417 nan 8.380 nan 0.000 0.474 7 P HA 0.176 nan 4.420 nan 0.000 0.272 7 P C 0.947 178.194 177.300 -0.089 0.000 1.223 7 P CA -0.272 62.791 63.100 -0.062 0.000 0.784 7 P CB 0.611 32.262 31.700 -0.081 0.000 0.923 8 I N -0.759 119.719 120.570 -0.153 0.000 2.617 8 I HA 0.075 4.245 4.170 0.000 0.000 0.256 8 I C 0.159 176.078 176.117 -0.330 0.000 1.167 8 I CA 1.021 62.228 61.300 -0.156 0.000 1.469 8 I CB -0.322 37.591 38.000 -0.145 0.000 1.098 8 I HN 0.066 nan 8.210 nan 0.000 0.436 9 L N 2.848 123.771 121.223 -0.500 0.000 2.343 9 L HA 0.463 4.803 4.340 0.000 0.000 0.278 9 L C -0.129 176.467 176.870 -0.456 0.000 0.996 9 L CA -0.577 53.818 54.840 -0.742 0.000 0.831 9 L CB 1.726 43.012 42.059 -1.289 0.000 1.232 9 L HN 0.174 nan 8.230 nan 0.000 0.413 10 T N -0.491 113.874 114.554 -0.314 0.000 2.943 10 T HA 0.828 5.178 4.350 0.000 0.000 0.284 10 T C 0.473 175.138 174.700 -0.057 0.000 1.015 10 T CA 0.052 62.052 62.100 -0.167 0.000 1.042 10 T CB 1.961 70.685 68.868 -0.239 0.000 1.055 10 T HN 1.019 nan 8.240 nan 0.000 0.500 11 G N 1.351 110.094 108.800 -0.094 0.000 2.804 11 G HA2 -0.107 3.853 3.960 0.000 0.000 0.230 11 G HA3 -0.107 3.853 3.960 0.000 0.000 0.230 11 G C -0.349 174.543 174.900 -0.013 0.000 1.386 11 G CA -0.393 44.652 45.100 -0.091 0.000 0.875 11 G HN 1.538 nan 8.290 nan 0.000 0.557 12 F N 2.148 121.912 119.950 -0.309 0.000 2.355 12 F HA 0.328 4.855 4.527 0.000 0.000 0.365 12 F C 0.825 176.323 175.800 -0.503 0.000 1.075 12 F CA 0.660 58.477 58.000 -0.306 0.000 0.959 12 F CB -0.794 38.021 39.000 -0.308 0.000 0.913 12 F HN 0.542 nan 8.300 nan 0.000 0.539 13 H N 5.040 124.010 119.070 -0.166 0.000 2.806 13 H HA 0.283 4.839 4.556 0.000 0.000 0.218 13 H C -2.620 172.622 175.328 -0.143 0.000 1.392 13 H CA -1.289 54.587 56.048 -0.286 0.000 1.358 13 H CB 0.418 29.988 29.762 -0.319 0.000 1.944 13 H HN 0.329 nan 8.280 nan 0.000 0.530 14 P HA 0.131 nan 4.420 nan 0.000 0.278 14 P C -0.241 177.071 177.300 0.020 0.000 1.266 14 P CA -0.359 62.792 63.100 0.084 0.000 0.807 14 P CB 0.805 32.632 31.700 0.211 0.000 1.094 15 D N -2.108 118.282 120.400 -0.016 0.000 2.737 15 D HA -0.110 4.531 4.640 0.000 0.000 0.238 15 D C -2.013 174.341 176.300 0.090 0.000 1.157 15 D CA 0.337 54.285 54.000 -0.088 0.000 0.694 15 D CB -1.524 39.097 40.800 -0.300 0.000 1.021 15 D HN 0.343 nan 8.370 nan 0.000 0.420 16 P HA 0.069 nan 4.420 nan 0.000 0.271 16 P C -0.221 177.189 177.300 0.183 0.000 1.226 16 P CA 0.099 63.245 63.100 0.078 0.000 0.765 16 P CB 1.361 33.052 31.700 -0.015 0.000 0.835 17 S N 4.117 119.921 115.700 0.173 0.000 2.498 17 S HA 0.446 4.916 4.470 0.000 0.000 0.324 17 S C -0.291 174.423 174.600 0.191 0.000 1.071 17 S CA -0.872 57.453 58.200 0.209 0.000 1.113 17 S CB -0.349 62.998 63.200 0.245 0.000 0.976 17 S HN 0.408 nan 8.310 nan 0.000 0.462 18 I N 4.645 125.347 120.570 0.219 0.000 2.499 18 I HA 0.641 4.811 4.170 0.000 0.000 0.296 18 I C -0.624 175.696 176.117 0.339 0.000 0.992 18 I CA -0.354 61.114 61.300 0.280 0.000 1.297 18 I CB 1.111 39.280 38.000 0.282 0.000 1.410 18 I HN 0.771 nan 8.210 nan 0.000 0.507 19 C N 7.883 127.433 119.300 0.417 0.000 2.642 19 C HA 0.502 4.962 4.460 0.000 0.000 0.344 19 C C -0.627 174.629 174.990 0.443 0.000 1.110 19 C CA -0.663 58.618 59.018 0.438 0.000 1.298 19 C CB 1.145 29.176 27.740 0.484 0.000 1.827 19 C HN 0.946 nan 8.230 nan 0.000 0.467 20 R N 4.222 124.909 120.500 0.310 0.000 2.346 20 R HA 0.782 5.122 4.340 0.000 0.000 0.311 20 R C -1.495 174.807 176.300 0.002 0.000 0.983 20 R CA -0.314 55.824 56.100 0.063 0.000 0.880 20 R CB 1.325 31.660 30.300 0.058 0.000 1.100 20 R HN 0.646 nan 8.270 nan 0.000 0.453 21 V N 5.382 125.214 119.914 -0.136 0.000 2.385 21 V HA 0.388 4.508 4.120 0.000 0.000 0.277 21 V C 0.862 176.786 176.094 -0.284 0.000 1.012 21 V CA 0.115 62.261 62.300 -0.257 0.000 0.832 21 V CB 0.611 32.218 31.823 -0.360 0.000 1.028 21 V HN 1.185 nan 8.190 nan 0.000 0.436 22 G N 4.989 113.634 108.800 -0.260 0.000 2.574 22 G HA2 -0.317 3.643 3.960 0.000 0.000 0.301 22 G HA3 -0.317 3.643 3.960 0.000 0.000 0.301 22 G C 0.566 175.224 174.900 -0.404 0.000 1.166 22 G CA 0.713 45.657 45.100 -0.260 0.000 0.971 22 G HN 0.915 nan 8.290 nan 0.000 0.542 23 D N 1.374 121.490 120.400 -0.474 0.000 2.340 23 D HA 0.201 4.841 4.640 0.000 0.000 0.217 23 D C -0.132 175.895 176.300 -0.455 0.000 1.081 23 D CA 0.385 53.998 54.000 -0.644 0.000 0.842 23 D CB 0.001 40.376 40.800 -0.709 0.000 0.934 23 D HN 0.384 nan 8.370 nan 0.000 0.511 24 D N 0.412 120.525 120.400 -0.478 0.000 2.177 24 D HA 0.230 4.870 4.640 0.000 0.000 0.247 24 D C -0.714 175.134 176.300 -0.753 0.000 1.063 24 D CA -0.209 53.566 54.000 -0.376 0.000 0.867 24 D CB 1.144 41.882 40.800 -0.103 0.000 1.168 24 D HN 0.088 nan 8.370 nan 0.000 0.445 25 Y N 1.019 121.092 120.300 -0.378 0.000 2.409 25 Y HA 0.379 4.929 4.550 0.000 0.000 0.343 25 Y C -0.580 175.163 175.900 -0.262 0.000 0.973 25 Y CA -0.917 57.063 58.100 -0.200 0.000 1.064 25 Y CB 1.394 39.814 38.460 -0.067 0.000 1.207 25 Y HN 0.227 nan 8.280 nan 0.000 0.452 26 Y N 2.856 123.463 120.300 0.511 0.000 2.462 26 Y HA 0.675 5.225 4.550 0.000 0.000 0.346 26 Y C -0.581 175.554 175.900 0.391 0.000 0.976 26 Y CA -1.203 57.179 58.100 0.470 0.000 1.044 26 Y CB 1.768 40.427 38.460 0.332 0.000 1.230 26 Y HN 0.381 nan 8.280 nan 0.000 0.455 27 I N 2.661 123.491 120.570 0.433 0.000 2.436 27 I HA 0.664 4.834 4.170 0.000 0.000 0.289 27 I C -0.556 175.664 176.117 0.171 0.000 1.010 27 I CA -0.932 60.469 61.300 0.168 0.000 1.098 27 I CB 1.696 39.578 38.000 -0.196 0.000 1.266 27 I HN 0.738 nan 8.210 nan 0.000 0.434 28 A N 6.763 129.663 122.820 0.133 0.000 2.292 28 A HA 0.785 5.105 4.320 0.000 0.000 0.319 28 A C -0.400 177.217 177.584 0.056 0.000 1.206 28 A CA -0.488 51.596 52.037 0.079 0.000 0.835 28 A CB 1.061 20.093 19.000 0.053 0.000 1.164 28 A HN 0.587 nan 8.150 nan 0.000 0.505 29 V N 0.807 120.735 119.914 0.023 0.000 2.960 29 V HA 0.865 4.985 4.120 0.000 0.000 0.315 29 V C 0.206 176.251 176.094 -0.081 0.000 1.087 29 V CA -0.340 61.950 62.300 -0.017 0.000 0.982 29 V CB 1.418 33.229 31.823 -0.020 0.000 1.039 29 V HN 1.153 nan 8.190 nan 0.000 0.437 30 S N 1.263 116.906 115.700 -0.094 0.000 2.592 30 S HA 0.476 4.946 4.470 0.000 0.000 0.271 30 S C 0.719 175.232 174.600 -0.144 0.000 1.326 30 S CA 0.233 58.333 58.200 -0.167 0.000 1.024 30 S CB 1.018 64.056 63.200 -0.270 0.000 0.921 30 S HN 1.442 nan 8.310 nan 0.000 0.527 31 T N -2.107 112.399 114.554 -0.080 0.000 2.986 31 T HA 0.331 4.681 4.350 0.000 0.000 0.264 31 T C 0.494 175.585 174.700 0.651 0.000 0.964 31 T CA -0.188 62.059 62.100 0.244 0.000 0.895 31 T CB -0.820 68.092 68.868 0.073 0.000 1.163 31 T HN 0.562 nan 8.240 nan 0.000 0.517 32 F N 2.653 122.825 119.950 0.370 0.000 2.271 32 F HA -0.349 4.178 4.527 0.000 0.000 0.306 32 F C 1.863 177.798 175.800 0.226 0.000 1.484 32 F CA 1.922 60.116 58.000 0.324 0.000 1.166 32 F CB -1.174 37.994 39.000 0.280 0.000 3.762 32 F HN 0.316 nan 8.300 nan 0.000 0.149 33 E N 0.612 121.001 120.200 0.314 0.000 2.481 33 E HA -0.045 4.305 4.350 0.000 0.000 0.195 33 E C 0.015 176.563 176.600 -0.087 0.000 1.047 33 E CA 0.592 57.004 56.400 0.019 0.000 0.867 33 E CB -0.369 29.228 29.700 -0.172 0.000 0.858 33 E HN 0.518 nan 8.360 nan 0.000 0.513 34 W N 1.154 122.532 121.300 0.129 0.000 2.287 34 W HA 0.345 5.005 4.660 0.000 0.000 0.313 34 W C -0.185 176.391 176.519 0.094 0.000 1.267 34 W CA -0.718 56.666 57.345 0.065 0.000 1.201 34 W CB 0.386 29.900 29.460 0.090 0.000 1.196 34 W HN -0.110 nan 8.180 nan 0.000 0.536 35 F N 6.608 126.659 119.950 0.168 0.000 2.480 35 F HA 0.541 5.068 4.527 0.000 0.000 0.329 35 F C -1.835 174.002 175.800 0.062 0.000 1.091 35 F CA -3.113 54.924 58.000 0.062 0.000 0.972 35 F CB 1.130 40.124 39.000 -0.009 0.000 1.150 35 F HN 0.086 nan 8.300 nan 0.000 0.467 36 P HA 0.226 nan 4.420 nan 0.000 0.274 36 P C -0.571 176.330 177.300 -0.665 0.000 1.246 36 P CA -0.297 61.998 63.100 -1.342 0.000 0.795 36 P CB 0.717 31.874 31.700 -0.904 0.000 1.006 37 G N 0.127 108.513 108.800 -0.689 0.000 2.403 37 G HA2 0.445 4.405 3.960 0.000 0.000 0.259 37 G HA3 0.445 4.405 3.960 0.000 0.000 0.259 37 G C -0.563 174.096 174.900 -0.402 0.000 1.244 37 G CA -0.292 44.562 45.100 -0.409 0.000 0.849 37 G HN 0.463 nan 8.290 nan 0.000 0.532 38 V N 0.843 120.584 119.914 -0.288 0.000 3.501 38 V HA -0.189 3.931 4.120 0.000 0.000 0.501 38 V C 0.035 175.975 176.094 -0.258 0.000 0.682 38 V CA 0.311 62.449 62.300 -0.269 0.000 2.051 38 V CB -0.679 30.943 31.823 -0.336 0.000 2.483 38 V HN 1.109 nan 8.190 nan 0.000 0.508 39 R N 3.919 124.310 120.500 -0.182 0.000 2.480 39 R HA 0.786 5.126 4.340 0.000 0.000 0.306 39 R C -0.687 175.556 176.300 -0.095 0.000 0.958 39 R CA -0.725 55.269 56.100 -0.177 0.000 0.861 39 R CB 1.986 32.225 30.300 -0.101 0.000 1.171 39 R HN 0.656 nan 8.270 nan 0.000 0.445 40 I N 3.625 124.081 120.570 -0.191 0.000 2.378 40 I HA 0.326 4.496 4.170 0.000 0.000 0.291 40 I C -0.843 175.218 176.117 -0.094 0.000 0.992 40 I CA -0.801 60.471 61.300 -0.046 0.000 1.154 40 I CB 1.076 39.035 38.000 -0.069 0.000 1.315 40 I HN 0.428 nan 8.210 nan 0.000 0.448 41 Y N 4.510 124.885 120.300 0.124 0.000 2.420 41 Y HA 0.418 4.968 4.550 0.000 0.000 0.334 41 Y C 0.176 176.364 175.900 0.479 0.000 1.094 41 Y CA -0.493 57.743 58.100 0.226 0.000 1.126 41 Y CB 1.269 39.823 38.460 0.157 0.000 1.217 41 Y HN 0.464 nan 8.280 nan 0.000 0.462 42 H N 1.125 120.426 119.070 0.385 0.000 2.524 42 H HA 0.658 5.214 4.556 0.000 0.000 0.353 42 H C -1.466 173.831 175.328 -0.052 0.000 1.136 42 H CA -0.334 55.787 56.048 0.121 0.000 1.193 42 H CB 2.147 31.882 29.762 -0.046 0.000 1.558 42 H HN 0.659 nan 8.280 nan 0.000 0.515 43 S N 2.835 117.962 115.700 -0.954 0.000 2.564 43 S HA 0.301 4.771 4.470 0.000 0.000 0.274 43 S C 0.087 174.277 174.600 -0.683 0.000 1.124 43 S CA -0.748 56.877 58.200 -0.958 0.000 0.869 43 S CB 1.696 63.735 63.200 -1.936 0.000 1.105 43 S HN 0.727 nan 8.310 nan 0.000 0.472 44 K N 1.399 121.601 120.400 -0.330 0.000 2.313 44 K HA 0.137 4.457 4.320 0.000 0.000 0.197 44 K C 0.567 177.077 176.600 -0.149 0.000 1.061 44 K CA 1.067 57.278 56.287 -0.127 0.000 0.980 44 K CB -0.095 32.362 32.500 -0.071 0.000 0.888 44 K HN 0.799 nan 8.250 nan 0.000 0.502 45 D N -0.387 119.820 120.400 -0.320 0.000 2.407 45 D HA 0.064 4.704 4.640 0.000 0.000 0.208 45 D C 0.839 176.885 176.300 -0.425 0.000 1.083 45 D CA -0.135 53.676 54.000 -0.314 0.000 0.844 45 D CB 0.010 40.646 40.800 -0.273 0.000 0.967 45 D HN 0.050 nan 8.370 nan 0.000 0.506 46 L N -1.239 119.619 121.223 -0.607 0.000 4.884 46 L HA -0.325 4.015 4.340 0.000 0.000 0.430 46 L C 1.560 178.315 176.870 -0.191 0.000 1.087 46 L CA 1.326 55.867 54.840 -0.498 0.000 1.033 46 L CB -1.406 40.360 42.059 -0.488 0.000 2.030 46 L HN 0.254 nan 8.230 nan 0.000 0.762 47 K N 0.258 120.478 120.400 -0.301 0.000 2.225 47 K HA 0.124 4.444 4.320 0.000 0.000 0.204 47 K C 0.656 177.213 176.600 -0.071 0.000 1.047 47 K CA 0.328 56.561 56.287 -0.090 0.000 0.970 47 K CB 0.449 32.880 32.500 -0.115 0.000 0.939 47 K HN 0.253 nan 8.250 nan 0.000 0.472 48 N N 0.527 119.059 118.700 -0.280 0.000 2.419 48 N HA 0.146 4.886 4.740 0.000 0.000 0.277 48 N C -1.560 173.917 175.510 -0.055 0.000 1.006 48 N CA -0.142 52.861 53.050 -0.079 0.000 0.923 48 N CB 0.892 39.275 38.487 -0.174 0.000 1.140 48 N HN 0.138 nan 8.380 nan 0.000 0.488 49 W N 1.276 122.762 121.300 0.310 0.000 2.785 49 W HA 0.445 5.106 4.660 0.000 0.000 0.333 49 W C 0.209 176.862 176.519 0.223 0.000 1.062 49 W CA -0.963 56.521 57.345 0.231 0.000 1.233 49 W CB 1.616 31.097 29.460 0.034 0.000 1.413 49 W HN 0.329 nan 8.180 nan 0.000 0.489 50 R N 2.055 122.699 120.500 0.241 0.000 2.628 50 R HA 0.769 5.109 4.340 0.000 0.000 0.288 50 R C -1.496 174.799 176.300 -0.009 0.000 0.980 50 R CA -1.181 54.929 56.100 0.018 0.000 0.891 50 R CB 1.638 31.607 30.300 -0.551 0.000 1.188 50 R HN 0.500 nan 8.270 nan 0.000 0.450 51 L N 3.922 125.015 121.223 -0.217 0.000 2.410 51 L HA 0.140 4.480 4.340 0.000 0.000 0.273 51 L C 0.448 177.132 176.870 -0.310 0.000 1.144 51 L CA 0.331 54.768 54.840 -0.672 0.000 0.863 51 L CB 1.630 43.088 42.059 -1.001 0.000 1.140 51 L HN 0.804 nan 8.230 nan 0.000 0.463 52 V N 1.900 121.660 119.914 -0.256 0.000 3.497 52 V HA 0.755 4.875 4.120 0.000 0.000 0.272 52 V C 0.398 176.421 176.094 -0.119 0.000 1.474 52 V CA 0.443 62.666 62.300 -0.128 0.000 1.025 52 V CB -0.237 31.544 31.823 -0.069 0.000 0.820 52 V HN 0.885 nan 8.190 nan 0.000 0.437 53 A N 0.669 123.388 122.820 -0.167 0.000 2.549 53 A HA 0.894 5.214 4.320 0.000 0.000 0.297 53 A C -0.601 176.854 177.584 -0.215 0.000 1.061 53 A CA -0.815 51.140 52.037 -0.137 0.000 0.690 53 A CB 1.576 20.529 19.000 -0.079 0.000 1.287 53 A HN 0.314 nan 8.150 nan 0.000 0.402 54 R N 2.354 122.733 120.500 -0.202 0.000 2.639 54 R HA 0.288 4.628 4.340 0.000 0.000 0.273 54 R C -2.371 173.735 176.300 -0.323 0.000 1.732 54 R CA -1.424 54.513 56.100 -0.272 0.000 1.586 54 R CB 1.377 31.541 30.300 -0.228 0.000 1.263 54 R HN 0.437 nan 8.270 nan 0.000 0.615 55 P HA -0.116 nan 4.420 nan 0.000 0.217 55 P C 0.093 177.061 177.300 -0.552 0.000 1.150 55 P CA 0.965 63.626 63.100 -0.732 0.000 0.832 55 P CB 0.351 31.164 31.700 -1.478 0.000 0.787 56 L N 0.963 121.842 121.223 -0.573 0.000 2.389 56 L HA 0.227 4.567 4.340 0.000 0.000 0.265 56 L C 0.684 177.245 176.870 -0.516 0.000 1.167 56 L CA -0.238 54.291 54.840 -0.520 0.000 1.045 56 L CB -0.486 41.179 42.059 -0.656 0.000 1.351 56 L HN 0.039 nan 8.230 nan 0.000 0.419 57 N N 0.468 118.990 118.700 -0.297 0.000 2.171 57 N HA 0.072 4.812 4.740 0.000 0.000 0.212 57 N C 0.310 175.929 175.510 0.181 0.000 1.184 57 N CA -0.329 52.616 53.050 -0.175 0.000 0.888 57 N CB 0.519 38.940 38.487 -0.109 0.000 1.038 57 N HN 0.300 nan 8.380 nan 0.000 0.517 58 R N 0.072 120.649 120.500 0.128 0.000 2.589 58 R HA 0.315 4.655 4.340 0.000 0.000 0.293 58 R C 0.289 176.680 176.300 0.152 0.000 0.963 58 R CA -0.891 55.293 56.100 0.140 0.000 0.905 58 R CB 1.369 31.710 30.300 0.068 0.000 1.144 58 R HN -0.065 nan 8.270 nan 0.000 0.459 59 L N 1.817 123.099 121.223 0.098 0.000 2.129 59 L HA -0.216 4.124 4.340 0.000 0.000 0.212 59 L C 2.290 179.178 176.870 0.030 0.000 1.087 59 L CA 1.994 56.860 54.840 0.043 0.000 0.757 59 L CB -0.849 41.200 42.059 -0.017 0.000 0.896 59 L HN 0.773 nan 8.230 nan 0.000 0.434 60 S N -1.776 113.941 115.700 0.027 0.000 2.419 60 S HA -0.222 4.248 4.470 0.000 0.000 0.233 60 S C 1.787 176.387 174.600 0.001 0.000 1.016 60 S CA 1.104 59.313 58.200 0.014 0.000 0.974 60 S CB -0.280 62.933 63.200 0.022 0.000 0.786 60 S HN 0.604 nan 8.310 nan 0.000 0.492 61 Q N -0.273 119.535 119.800 0.014 0.000 2.204 61 Q HA 0.425 4.765 4.340 0.000 0.000 0.198 61 Q C -0.353 175.634 176.000 -0.021 0.000 0.946 61 Q CA 0.449 56.252 55.803 0.000 0.000 0.859 61 Q CB 0.202 28.922 28.738 -0.030 0.000 0.946 61 Q HN 0.485 nan 8.270 nan 0.000 0.474 62 L N 1.123 122.361 121.223 0.025 0.000 2.596 62 L HA 0.417 4.757 4.340 0.000 0.000 0.265 62 L C -1.990 174.964 176.870 0.140 0.000 0.962 62 L CA -0.376 54.508 54.840 0.074 0.000 0.891 62 L CB 1.933 44.006 42.059 0.024 0.000 1.248 62 L HN -0.110 nan 8.230 nan 0.000 0.410 63 N N 5.563 124.308 118.700 0.076 0.000 2.682 63 N HA 0.390 5.130 4.740 0.000 0.000 0.252 63 N C -0.459 175.073 175.510 0.035 0.000 1.081 63 N CA -0.241 52.831 53.050 0.036 0.000 0.844 63 N CB 0.815 39.308 38.487 0.010 0.000 1.167 63 N HN 0.735 nan 8.380 nan 0.000 0.523 64 M N 2.424 122.039 119.600 0.026 0.000 2.475 64 M HA 0.276 4.757 4.480 0.000 0.000 0.283 64 M C 0.638 176.899 176.300 -0.066 0.000 1.165 64 M CA -0.417 54.891 55.300 0.013 0.000 0.976 64 M CB 0.420 33.055 32.600 0.058 0.000 1.428 64 M HN 0.398 nan 8.290 nan 0.000 0.495 65 I N 1.240 121.761 120.570 -0.082 0.000 2.775 65 I HA -0.019 4.151 4.170 0.000 0.000 0.290 65 I C 1.303 177.291 176.117 -0.215 0.000 1.203 65 I CA 1.414 62.637 61.300 -0.129 0.000 1.433 65 I CB 0.542 38.520 38.000 -0.037 0.000 1.354 65 I HN 0.694 nan 8.210 nan 0.000 0.579 66 G N 4.383 112.848 108.800 -0.557 0.000 2.205 66 G HA2 -0.324 3.636 3.960 0.000 0.000 0.261 66 G HA3 -0.324 3.636 3.960 0.000 0.000 0.261 66 G C 0.329 174.991 174.900 -0.397 0.000 0.980 66 G CA 0.205 44.819 45.100 -0.809 0.000 0.632 66 G HN 0.647 nan 8.290 nan 0.000 0.533 67 N N 2.458 121.019 118.700 -0.232 0.000 2.353 67 N HA 0.349 5.089 4.740 0.000 0.000 0.248 67 N C -1.643 173.808 175.510 -0.100 0.000 1.240 67 N CA -0.429 52.558 53.050 -0.104 0.000 0.862 67 N CB 0.709 39.177 38.487 -0.031 0.000 1.086 67 N HN 0.306 nan 8.380 nan 0.000 0.453 68 P HA 0.034 nan 4.420 nan 0.000 0.272 68 P C -0.756 176.550 177.300 0.010 0.000 1.230 68 P CA -0.188 62.908 63.100 -0.007 0.000 0.788 68 P CB 0.577 32.301 31.700 0.040 0.000 0.949 69 D N 0.612 121.005 120.400 -0.012 0.000 2.488 69 D HA -0.016 4.624 4.640 0.000 0.000 0.238 69 D C 0.821 177.134 176.300 0.021 0.000 1.138 69 D CA 0.887 54.870 54.000 -0.027 0.000 0.873 69 D CB -0.170 40.602 40.800 -0.046 0.000 1.183 69 D HN 0.310 nan 8.370 nan 0.000 0.458 70 S N -0.198 115.520 115.700 0.030 0.000 3.380 70 S HA -0.140 4.330 4.470 0.000 0.000 0.300 70 S C 0.825 175.751 174.600 0.542 0.000 1.255 70 S CA 0.787 59.047 58.200 0.100 0.000 0.963 70 S CB -1.080 62.000 63.200 -0.200 0.000 1.106 70 S HN 0.765 nan 8.310 nan 0.000 0.629 71 G N -0.218 108.862 108.800 0.468 0.000 2.543 71 G HA2 0.702 4.662 3.960 0.000 0.000 0.267 71 G HA3 0.702 4.662 3.960 0.000 0.000 0.267 71 G C 0.898 176.126 174.900 0.546 0.000 1.406 71 G CA 0.317 45.745 45.100 0.546 0.000 1.048 71 G HN 1.492 nan 8.290 nan 0.000 0.548 72 G N -1.913 107.072 108.800 0.309 0.000 2.523 72 G HA2 -0.167 3.793 3.960 0.000 0.000 0.271 72 G HA3 -0.167 3.793 3.960 0.000 0.000 0.271 72 G C 0.041 175.090 174.900 0.247 0.000 1.146 72 G CA 0.206 45.450 45.100 0.240 0.000 0.961 72 G HN 1.481 nan 8.290 nan 0.000 0.549 73 V N 1.850 121.856 119.914 0.154 0.000 2.313 73 V HA 0.396 4.516 4.120 0.000 0.000 0.252 73 V C 0.613 176.539 176.094 -0.280 0.000 1.112 73 V CA -0.103 62.215 62.300 0.030 0.000 0.984 73 V CB -0.385 31.419 31.823 -0.031 0.000 1.157 73 V HN 0.452 nan 8.190 nan 0.000 0.493 74 W N 2.223 123.236 121.300 -0.479 0.000 1.711 74 W HA 0.561 5.221 4.660 0.000 0.000 0.463 74 W C 1.027 177.363 176.519 -0.305 0.000 2.053 74 W CA -0.753 56.232 57.345 -0.601 0.000 2.290 74 W CB -0.003 29.310 29.460 -0.246 0.000 1.607 74 W HN 0.491 nan 8.180 nan 0.000 0.789 75 A N 3.938 126.831 122.820 0.123 0.000 2.573 75 A HA 0.180 4.500 4.320 0.000 0.000 0.250 75 A C -1.987 175.732 177.584 0.226 0.000 1.049 75 A CA -0.446 51.670 52.037 0.132 0.000 0.767 75 A CB -1.333 17.797 19.000 0.217 0.000 0.965 75 A HN 0.201 nan 8.150 nan 0.000 0.514 76 P HA 0.398 nan 4.420 nan 0.000 0.283 76 P C -1.081 176.434 177.300 0.357 0.000 1.271 76 P CA -0.249 62.994 63.100 0.239 0.000 0.841 76 P CB 1.156 32.928 31.700 0.121 0.000 1.122 77 H N 0.349 119.571 119.070 0.253 0.000 2.727 77 H HA 0.565 5.121 4.556 0.000 0.000 0.330 77 H C -1.518 173.978 175.328 0.279 0.000 0.986 77 H CA -0.724 55.495 56.048 0.285 0.000 1.251 77 H CB 0.522 30.475 29.762 0.318 0.000 1.493 77 H HN 0.159 nan 8.280 nan 0.000 0.515 78 L N 4.818 125.931 121.223 -0.183 0.000 2.307 78 L HA 0.679 5.019 4.340 0.000 0.000 0.284 78 L C -0.750 176.076 176.870 -0.072 0.000 1.023 78 L CA 0.045 54.884 54.840 -0.001 0.000 0.810 78 L CB 1.185 43.337 42.059 0.156 0.000 1.231 78 L HN 0.849 nan 8.230 nan 0.000 0.423 79 S N 3.272 119.128 115.700 0.260 0.000 2.625 79 S HA 0.615 5.085 4.470 0.000 0.000 0.271 79 S C -1.462 173.479 174.600 0.569 0.000 1.161 79 S CA -0.727 57.710 58.200 0.395 0.000 0.820 79 S CB 1.215 64.675 63.200 0.433 0.000 1.137 79 S HN 0.576 nan 8.310 nan 0.000 0.470 80 Y N 0.532 120.974 120.300 0.236 0.000 2.406 80 Y HA 0.731 5.281 4.550 0.000 0.000 0.340 80 Y C -0.551 175.296 175.900 -0.088 0.000 0.975 80 Y CA 0.064 58.169 58.100 0.007 0.000 1.056 80 Y CB 1.979 40.243 38.460 -0.327 0.000 1.210 80 Y HN 1.124 nan 8.280 nan 0.000 0.448 81 S N 3.919 119.377 115.700 -0.404 0.000 2.543 81 S HA 0.316 4.787 4.470 0.000 0.000 0.274 81 S C -1.732 172.754 174.600 -0.191 0.000 1.149 81 S CA -0.474 57.476 58.200 -0.416 0.000 0.866 81 S CB 0.796 63.341 63.200 -1.092 0.000 1.111 81 S HN 0.856 nan 8.310 nan 0.000 0.457 82 D N 2.233 122.533 120.400 -0.168 0.000 2.708 82 D HA -0.164 4.476 4.640 0.000 0.000 0.236 82 D C 0.894 177.083 176.300 -0.186 0.000 1.146 82 D CA 1.854 55.806 54.000 -0.080 0.000 0.662 82 D CB -1.746 39.095 40.800 0.068 0.000 1.059 82 D HN 1.708 nan 8.370 nan 0.000 0.428 83 G N 0.082 108.674 108.800 -0.347 0.000 2.179 83 G HA2 -0.349 3.611 3.960 0.000 0.000 0.257 83 G HA3 -0.349 3.611 3.960 0.000 0.000 0.257 83 G C 0.213 174.797 174.900 -0.527 0.000 1.010 83 G CA 1.186 46.095 45.100 -0.319 0.000 0.736 83 G HN 0.867 nan 8.290 nan 0.000 0.513 84 K N -1.560 118.258 120.400 -0.971 0.000 2.536 84 K HA 0.752 5.072 4.320 0.000 0.000 0.269 84 K C -0.906 175.151 176.600 -0.904 0.000 0.965 84 K CA -1.409 54.406 56.287 -0.786 0.000 0.860 84 K CB 1.172 33.282 32.500 -0.651 0.000 1.423 84 K HN -0.042 nan 8.250 nan 0.000 0.438 85 F N 0.760 120.463 119.950 -0.411 0.000 2.375 85 F HA 0.402 4.930 4.527 0.000 0.000 0.333 85 F C -0.577 175.121 175.800 -0.169 0.000 1.104 85 F CA 0.192 58.150 58.000 -0.070 0.000 1.149 85 F CB 0.873 39.878 39.000 0.008 0.000 1.190 85 F HN 0.381 nan 8.300 nan 0.000 0.533 86 W N 5.295 126.844 121.300 0.416 0.000 2.554 86 W HA 0.582 5.242 4.660 0.000 0.000 0.324 86 W C -1.463 175.286 176.519 0.383 0.000 1.018 86 W CA -0.708 56.855 57.345 0.363 0.000 1.243 86 W CB 1.404 31.050 29.460 0.310 0.000 1.345 86 W HN 0.124 nan 8.180 nan 0.000 0.441 87 L N 6.027 127.578 121.223 0.546 0.000 2.319 87 L HA 0.629 4.969 4.340 0.000 0.000 0.281 87 L C -1.039 176.043 176.870 0.352 0.000 1.005 87 L CA -0.851 54.187 54.840 0.330 0.000 0.828 87 L CB 0.493 42.547 42.059 -0.009 0.000 1.227 87 L HN 0.212 nan 8.230 nan 0.000 0.415 88 I N 6.283 127.052 120.570 0.330 0.000 2.377 88 I HA 0.452 4.622 4.170 0.000 0.000 0.293 88 I C -0.479 175.830 176.117 0.319 0.000 0.987 88 I CA -0.530 60.931 61.300 0.268 0.000 1.185 88 I CB 0.985 39.121 38.000 0.226 0.000 1.341 88 I HN 0.743 nan 8.210 nan 0.000 0.455 89 Y N 2.281 122.670 120.300 0.147 0.000 2.625 89 Y HA 0.767 5.317 4.550 0.000 0.000 0.338 89 Y C -0.803 175.203 175.900 0.177 0.000 1.123 89 Y CA -1.009 57.172 58.100 0.135 0.000 1.046 89 Y CB 1.202 39.705 38.460 0.073 0.000 1.299 89 Y HN 0.444 nan 8.280 nan 0.000 0.464 90 T N 1.182 115.895 114.554 0.265 0.000 2.912 90 T HA 0.351 4.701 4.350 0.000 0.000 0.288 90 T C -1.692 173.172 174.700 0.272 0.000 1.030 90 T CA -0.607 61.579 62.100 0.144 0.000 1.020 90 T CB 1.579 70.455 68.868 0.013 0.000 1.056 90 T HN 0.665 nan 8.240 nan 0.000 0.480 91 D N 1.915 122.473 120.400 0.264 0.000 2.461 91 D HA 0.362 5.002 4.640 0.000 0.000 0.240 91 D C -0.782 175.525 176.300 0.011 0.000 1.094 91 D CA -0.494 53.639 54.000 0.223 0.000 0.868 91 D CB 0.648 41.668 40.800 0.368 0.000 1.062 91 D HN 0.187 nan 8.370 nan 0.000 0.530 92 V N 5.724 125.558 119.914 -0.133 0.000 2.432 92 V HA 0.200 4.320 4.120 0.000 0.000 0.271 92 V C 1.328 177.335 176.094 -0.145 0.000 1.046 92 V CA -0.332 61.764 62.300 -0.340 0.000 0.945 92 V CB 1.450 32.751 31.823 -0.870 0.000 0.992 92 V HN 0.424 nan 8.190 nan 0.000 0.471 93 K N 3.179 123.479 120.400 -0.167 0.000 2.276 93 K HA 0.251 4.571 4.320 0.000 0.000 0.198 93 K C 0.061 176.626 176.600 -0.059 0.000 1.052 93 K CA 0.632 56.874 56.287 -0.075 0.000 0.984 93 K CB 0.807 33.269 32.500 -0.063 0.000 0.836 93 K HN 0.456 nan 8.250 nan 0.000 0.490 94 V N 2.273 122.124 119.914 -0.105 0.000 2.444 94 V HA 0.171 4.292 4.120 0.000 0.000 0.294 94 V C 0.511 176.581 176.094 -0.041 0.000 1.022 94 V CA -0.602 61.670 62.300 -0.048 0.000 0.850 94 V CB 1.863 33.664 31.823 -0.037 0.000 0.992 94 V HN 0.030 nan 8.190 nan 0.000 0.426 95 V N 0.756 120.710 119.914 0.065 0.000 3.346 95 V HA 0.552 4.672 4.120 0.000 0.000 0.309 95 V C 0.194 176.389 176.094 0.168 0.000 1.457 95 V CA 0.135 62.535 62.300 0.167 0.000 1.069 95 V CB -0.026 31.983 31.823 0.310 0.000 0.944 95 V HN 0.803 nan 8.190 nan 0.000 0.449 96 E N 0.358 120.640 120.200 0.135 0.000 2.331 96 E HA 0.653 5.003 4.350 0.000 0.000 0.275 96 E C 0.150 176.860 176.600 0.183 0.000 0.895 96 E CA -0.140 56.351 56.400 0.152 0.000 0.753 96 E CB 2.316 32.084 29.700 0.114 0.000 1.216 96 E HN 0.568 nan 8.360 nan 0.000 0.434 97 G N 1.525 110.447 108.800 0.204 0.000 2.472 97 G HA2 -0.240 3.720 3.960 0.000 0.000 0.205 97 G HA3 -0.240 3.720 3.960 0.000 0.000 0.205 97 G C 0.315 175.363 174.900 0.246 0.000 1.270 97 G CA -0.476 44.757 45.100 0.222 0.000 0.974 97 G HN 0.424 nan 8.290 nan 0.000 0.542 98 Q N -0.687 119.224 119.800 0.185 0.000 2.230 98 Q HA 0.082 4.422 4.340 0.000 0.000 0.202 98 Q C 0.884 176.924 176.000 0.066 0.000 0.963 98 Q CA 1.115 56.887 55.803 -0.052 0.000 0.866 98 Q CB 0.151 28.557 28.738 -0.554 0.000 0.931 98 Q HN 0.523 nan 8.270 nan 0.000 0.452 99 W N 0.154 121.630 121.300 0.294 0.000 2.576 99 W HA 0.374 5.034 4.660 0.000 0.000 0.360 99 W C 0.582 176.956 176.519 -0.242 0.000 1.109 99 W CA -0.782 56.647 57.345 0.140 0.000 1.237 99 W CB 0.946 30.409 29.460 0.006 0.000 1.369 99 W HN -0.204 nan 8.180 nan 0.000 0.609 100 K N 1.263 121.370 120.400 -0.489 0.000 3.165 100 K HA 0.083 4.404 4.320 0.000 0.000 0.206 100 K C -0.749 175.537 176.600 -0.523 0.000 1.123 100 K CA -0.155 55.705 56.287 -0.712 0.000 0.978 100 K CB -0.291 31.344 32.500 -1.442 0.000 0.749 100 K HN 0.146 nan 8.250 nan 0.000 0.454 101 D N 1.146 121.364 120.400 -0.303 0.000 2.772 101 D HA 0.102 4.742 4.640 0.000 0.000 0.227 101 D C 0.383 176.418 176.300 -0.441 0.000 1.114 101 D CA 1.193 55.006 54.000 -0.312 0.000 0.832 101 D CB 0.918 41.589 40.800 -0.215 0.000 1.154 101 D HN 0.495 nan 8.370 nan 0.000 0.514 102 G N 1.545 109.990 108.800 -0.592 0.000 2.667 102 G HA2 0.403 4.363 3.960 0.000 0.000 0.294 102 G HA3 0.403 4.363 3.960 0.000 0.000 0.294 102 G C -1.634 172.859 174.900 -0.679 0.000 1.467 102 G CA -0.798 43.931 45.100 -0.618 0.000 0.852 102 G HN 0.416 nan 8.290 nan 0.000 0.521 103 H N 0.835 119.840 119.070 -0.109 0.000 2.637 103 H HA 0.469 5.025 4.556 0.000 0.000 0.363 103 H C -0.623 174.450 175.328 -0.425 0.000 1.131 103 H CA -0.798 55.133 56.048 -0.194 0.000 1.183 103 H CB 2.236 31.929 29.762 -0.115 0.000 1.637 103 H HN 0.353 nan 8.280 nan 0.000 0.531 104 N N 2.269 120.691 118.700 -0.463 0.000 2.400 104 N HA 0.255 4.995 4.740 0.000 0.000 0.288 104 N C -0.935 174.128 175.510 -0.745 0.000 1.024 104 N CA -0.265 52.492 53.050 -0.489 0.000 0.894 104 N CB 1.495 39.795 38.487 -0.312 0.000 1.173 104 N HN 0.446 nan 8.380 nan 0.000 0.487 105 Y N 0.269 120.318 120.300 -0.419 0.000 2.545 105 Y HA 0.524 5.075 4.550 0.000 0.000 0.348 105 Y C -0.342 175.327 175.900 -0.384 0.000 1.002 105 Y CA -1.182 56.644 58.100 -0.456 0.000 1.039 105 Y CB 1.765 39.796 38.460 -0.715 0.000 1.271 105 Y HN 0.287 nan 8.280 nan 0.000 0.467 106 L N 3.863 125.103 121.223 0.030 0.000 2.341 106 L HA 0.894 5.234 4.340 0.000 0.000 0.278 106 L C -1.094 175.923 176.870 0.245 0.000 1.005 106 L CA -0.825 54.090 54.840 0.123 0.000 0.818 106 L CB 1.426 43.507 42.059 0.037 0.000 1.259 106 L HN 0.483 nan 8.230 nan 0.000 0.418 107 V N 1.268 121.388 119.914 0.344 0.000 3.001 107 V HA 0.995 5.115 4.120 0.000 0.000 0.314 107 V C -0.286 176.048 176.094 0.400 0.000 1.099 107 V CA 0.137 62.652 62.300 0.359 0.000 0.989 107 V CB 1.659 33.721 31.823 0.399 0.000 1.040 107 V HN 0.998 nan 8.190 nan 0.000 0.434 108 T N -0.597 114.118 114.554 0.269 0.000 2.883 108 T HA 0.776 5.126 4.350 0.000 0.000 0.296 108 T C -0.867 173.688 174.700 -0.242 0.000 1.117 108 T CA -0.614 61.484 62.100 -0.003 0.000 1.006 108 T CB 1.541 70.150 68.868 -0.432 0.000 1.191 108 T HN 1.461 nan 8.240 nan 0.000 0.508 109 C N 1.233 120.125 119.300 -0.679 0.000 2.985 109 C HA 0.510 4.970 4.460 0.000 0.000 0.332 109 C C 0.688 175.376 174.990 -0.505 0.000 1.164 109 C CA -0.469 58.055 59.018 -0.824 0.000 1.347 109 C CB 1.040 27.728 27.740 -1.753 0.000 1.764 109 C HN 1.060 nan 8.230 nan 0.000 0.489 110 D N 1.139 121.335 120.400 -0.341 0.000 2.218 110 D HA 0.047 4.687 4.640 0.000 0.000 0.204 110 D C 0.945 177.227 176.300 -0.030 0.000 0.976 110 D CA 1.566 55.458 54.000 -0.180 0.000 0.853 110 D CB 0.262 40.973 40.800 -0.148 0.000 0.939 110 D HN 0.661 nan 8.370 nan 0.000 0.481 111 T N -1.445 113.031 114.554 -0.131 0.000 2.901 111 T HA 0.306 4.656 4.350 0.000 0.000 0.293 111 T C 0.710 175.194 174.700 -0.361 0.000 1.084 111 T CA -0.811 61.250 62.100 -0.064 0.000 1.008 111 T CB 1.328 70.124 68.868 -0.120 0.000 1.170 111 T HN -0.244 nan 8.240 nan 0.000 0.509 112 I N 1.636 121.916 120.570 -0.483 0.000 2.439 112 I HA 0.062 4.233 4.170 0.000 0.000 0.251 112 I C 1.006 176.990 176.117 -0.223 0.000 1.139 112 I CA 1.549 62.398 61.300 -0.752 0.000 1.438 112 I CB 0.030 37.427 38.000 -1.006 0.000 1.085 112 I HN 0.760 nan 8.210 nan 0.000 0.427 113 D N -1.464 118.826 120.400 -0.183 0.000 2.571 113 D HA 0.260 4.901 4.640 0.000 0.000 0.239 113 D C 0.794 177.056 176.300 -0.063 0.000 1.267 113 D CA 0.000 53.966 54.000 -0.057 0.000 0.823 113 D CB -0.646 40.105 40.800 -0.082 0.000 1.056 113 D HN 0.203 nan 8.370 nan 0.000 0.494 114 G N -0.042 108.657 108.800 -0.168 0.000 2.641 114 G HA2 0.544 4.505 3.960 0.000 0.000 0.239 114 G HA3 0.544 4.505 3.960 0.000 0.000 0.239 114 G C -0.498 174.342 174.900 -0.100 0.000 1.402 114 G CA -0.607 44.397 45.100 -0.159 0.000 1.046 114 G HN 0.291 nan 8.290 nan 0.000 0.565 115 A N -0.647 122.110 122.820 -0.104 0.000 2.391 115 A HA 0.516 4.836 4.320 0.000 0.000 0.316 115 A C -0.726 176.836 177.584 -0.037 0.000 1.381 115 A CA -0.598 51.432 52.037 -0.011 0.000 0.998 115 A CB -0.454 18.539 19.000 -0.012 0.000 1.147 115 A HN 0.408 nan 8.150 nan 0.000 0.545 116 W N 2.335 123.593 121.300 -0.070 0.000 2.158 116 W HA 0.317 4.977 4.660 0.000 0.000 0.339 116 W C 1.303 177.800 176.519 -0.037 0.000 1.294 116 W CA 0.760 58.068 57.345 -0.061 0.000 1.231 116 W CB 0.557 29.973 29.460 -0.073 0.000 1.143 116 W HN 0.821 nan 8.180 nan 0.000 0.571 117 S N 1.181 116.991 115.700 0.183 0.000 2.587 117 S HA 0.031 4.501 4.470 0.000 0.000 0.260 117 S C -0.054 174.630 174.600 0.140 0.000 1.353 117 S CA -0.744 57.525 58.200 0.114 0.000 0.995 117 S CB 0.538 63.786 63.200 0.079 0.000 0.912 117 S HN 0.408 nan 8.310 nan 0.000 0.568 118 D N 2.443 122.904 120.400 0.101 0.000 2.382 118 D HA 0.348 4.988 4.640 0.000 0.000 0.240 118 D C -1.968 174.412 176.300 0.132 0.000 1.146 118 D CA -1.046 53.013 54.000 0.099 0.000 0.897 118 D CB 0.316 41.159 40.800 0.071 0.000 1.197 118 D HN 0.440 nan 8.370 nan 0.000 0.432 119 P HA 0.199 nan 4.420 nan 0.000 0.275 119 P C -0.368 177.062 177.300 0.217 0.000 1.228 119 P CA -0.135 63.075 63.100 0.183 0.000 0.786 119 P CB 0.781 32.527 31.700 0.077 0.000 0.927 120 I N 3.037 123.753 120.570 0.243 0.000 2.321 120 I HA 0.186 4.356 4.170 0.000 0.000 0.291 120 I C 0.351 176.633 176.117 0.276 0.000 0.998 120 I CA -1.076 60.376 61.300 0.252 0.000 1.227 120 I CB 0.710 38.858 38.000 0.246 0.000 1.368 120 I HN 0.350 nan 8.210 nan 0.000 0.466 121 Y N 6.910 127.314 120.300 0.174 0.000 2.377 121 Y HA 0.252 4.802 4.550 0.000 0.000 0.330 121 Y C 0.035 175.935 175.900 0.000 0.000 1.108 121 Y CA 0.134 58.262 58.100 0.048 0.000 1.308 121 Y CB 0.774 39.249 38.460 0.025 0.000 1.216 121 Y HN 0.512 nan 8.280 nan 0.000 0.518 122 L N 3.831 124.520 121.223 -0.890 0.000 2.546 122 L HA 0.225 4.565 4.340 0.000 0.000 0.185 122 L C 0.010 176.378 176.870 -0.836 0.000 1.247 122 L CA 0.089 54.561 54.840 -0.613 0.000 0.848 122 L CB -0.192 41.635 42.059 -0.388 0.000 1.133 122 L HN 0.749 nan 8.230 nan 0.000 0.504 123 N N -2.995 115.187 118.700 -0.863 0.000 3.344 123 N HA 0.194 4.934 4.740 0.000 0.000 0.296 123 N C -0.584 174.756 175.510 -0.284 0.000 1.571 123 N CA -0.481 52.274 53.050 -0.492 0.000 0.844 123 N CB 1.546 39.922 38.487 -0.185 0.000 1.718 123 N HN -0.164 nan 8.380 nan 0.000 0.589 124 S N -1.248 114.428 115.700 -0.040 0.000 2.817 124 S HA 0.094 4.564 4.470 0.000 0.000 0.262 124 S C 0.856 175.388 174.600 -0.114 0.000 1.051 124 S CA 0.126 58.326 58.200 -0.000 0.000 1.185 124 S CB -0.287 63.036 63.200 0.205 0.000 1.152 124 S HN 0.669 nan 8.310 nan 0.000 0.653 125 S N 1.369 116.985 115.700 -0.140 0.000 2.474 125 S HA 0.348 4.818 4.470 0.000 0.000 0.235 125 S C 1.031 175.442 174.600 -0.315 0.000 0.997 125 S CA 0.615 58.648 58.200 -0.279 0.000 0.949 125 S CB 0.026 63.074 63.200 -0.253 0.000 0.766 125 S HN 0.662 nan 8.310 nan 0.000 0.517 126 G N 0.321 108.985 108.800 -0.226 0.000 2.340 126 G HA2 0.418 4.378 3.960 0.000 0.000 0.298 126 G HA3 0.418 4.378 3.960 0.000 0.000 0.298 126 G C -0.552 174.201 174.900 -0.244 0.000 1.498 126 G CA -0.747 44.187 45.100 -0.277 0.000 0.847 126 G HN 0.310 nan 8.290 nan 0.000 0.594 127 F N -0.413 119.445 119.950 -0.154 0.000 2.173 127 F HA 0.634 5.161 4.527 0.000 0.000 0.280 127 F C 0.721 176.546 175.800 0.041 0.000 1.175 127 F CA 0.067 58.003 58.000 -0.107 0.000 1.166 127 F CB 0.060 38.948 39.000 -0.186 0.000 1.589 127 F HN 0.424 nan 8.300 nan 0.000 0.513 128 D N -0.520 120.133 120.400 0.422 0.000 2.697 128 D HA -0.121 4.519 4.640 0.000 0.000 0.238 128 D C -2.494 173.875 176.300 0.115 0.000 1.152 128 D CA 0.480 54.670 54.000 0.318 0.000 0.666 128 D CB -1.671 39.341 40.800 0.354 0.000 1.037 128 D HN 0.373 nan 8.370 nan 0.000 0.423 129 P HA 0.256 nan 4.420 nan 0.000 0.275 129 P C -0.372 176.961 177.300 0.055 0.000 1.228 129 P CA -0.126 62.991 63.100 0.028 0.000 0.786 129 P CB 1.714 33.417 31.700 0.006 0.000 0.927 130 S N 2.015 117.689 115.700 -0.044 0.000 2.575 130 S HA 0.492 4.962 4.470 0.000 0.000 0.278 130 S C -1.296 173.243 174.600 -0.102 0.000 1.139 130 S CA -0.656 57.437 58.200 -0.180 0.000 0.954 130 S CB 0.529 63.513 63.200 -0.359 0.000 1.054 130 S HN 0.325 nan 8.310 nan 0.000 0.483 131 L N 5.136 126.389 121.223 0.049 0.000 2.289 131 L HA 0.717 5.057 4.340 0.000 0.000 0.285 131 L C -1.089 175.731 176.870 -0.083 0.000 1.049 131 L CA -0.329 54.489 54.840 -0.037 0.000 0.804 131 L CB 0.883 42.882 42.059 -0.100 0.000 1.195 131 L HN 0.665 nan 8.230 nan 0.000 0.428 132 F N 4.625 124.418 119.950 -0.262 0.000 2.458 132 F HA 0.466 4.993 4.527 0.000 0.000 0.336 132 F C -0.469 175.177 175.800 -0.257 0.000 1.114 132 F CA -0.446 57.445 58.000 -0.182 0.000 0.987 132 F CB 0.752 39.740 39.000 -0.021 0.000 1.130 132 F HN 0.483 nan 8.300 nan 0.000 0.458 133 H N 4.650 123.336 119.070 -0.640 0.000 2.724 133 H HA 0.175 4.731 4.556 0.000 0.000 0.278 133 H C -0.517 174.284 175.328 -0.878 0.000 1.159 133 H CA -0.595 55.090 56.048 -0.605 0.000 1.254 133 H CB 0.686 30.226 29.762 -0.369 0.000 1.412 133 H HN 0.586 nan 8.280 nan 0.000 0.488 134 D N 1.436 121.486 120.400 -0.585 0.000 2.360 134 D HA -0.043 4.597 4.640 0.000 0.000 0.242 134 D C 1.189 177.475 176.300 -0.025 0.000 1.184 134 D CA -0.147 53.697 54.000 -0.260 0.000 0.930 134 D CB 1.152 42.131 40.800 0.299 0.000 1.161 134 D HN 0.446 nan 8.370 nan 0.000 0.447 135 E N -0.219 120.039 120.200 0.098 0.000 2.472 135 E HA -0.109 4.241 4.350 0.000 0.000 0.200 135 E C 0.511 177.157 176.600 0.077 0.000 1.046 135 E CA 0.719 57.171 56.400 0.086 0.000 0.871 135 E CB 0.151 29.916 29.700 0.108 0.000 0.806 135 E HN 0.400 nan 8.360 nan 0.000 0.533 136 D N -2.343 118.116 120.400 0.098 0.000 2.369 136 D HA 0.130 4.770 4.640 0.000 0.000 0.211 136 D C 1.215 177.548 176.300 0.054 0.000 1.077 136 D CA 0.553 54.604 54.000 0.084 0.000 0.842 136 D CB 0.246 41.116 40.800 0.117 0.000 0.947 136 D HN 0.128 nan 8.370 nan 0.000 0.509 137 G N 0.511 109.329 108.800 0.030 0.000 2.195 137 G HA2 -0.289 3.672 3.960 0.000 0.000 0.246 137 G HA3 -0.289 3.672 3.960 0.000 0.000 0.246 137 G C 0.256 175.138 174.900 -0.030 0.000 0.984 137 G CA -0.210 44.889 45.100 -0.002 0.000 0.633 137 G HN 0.437 nan 8.290 nan 0.000 0.525 138 R N 0.122 120.610 120.500 -0.020 0.000 2.459 138 R HA 0.647 4.987 4.340 0.000 0.000 0.281 138 R C -0.269 175.877 176.300 -0.258 0.000 1.050 138 R CA -0.237 55.784 56.100 -0.132 0.000 1.055 138 R CB 0.745 30.994 30.300 -0.086 0.000 1.045 138 R HN 0.094 nan 8.270 nan 0.000 0.495 139 K N 1.608 121.748 120.400 -0.434 0.000 2.259 139 K HA 0.389 4.709 4.320 0.000 0.000 0.252 139 K C -1.522 174.745 176.600 -0.556 0.000 0.936 139 K CA -0.396 55.670 56.287 -0.369 0.000 0.810 139 K CB 1.405 33.794 32.500 -0.184 0.000 1.143 139 K HN 0.371 nan 8.250 nan 0.000 0.427 140 Y N 1.610 121.925 120.300 0.023 0.000 2.406 140 Y HA 0.438 4.988 4.550 0.000 0.000 0.340 140 Y C -0.936 174.970 175.900 0.009 0.000 0.975 140 Y CA -1.082 57.053 58.100 0.059 0.000 1.056 140 Y CB 1.503 40.019 38.460 0.094 0.000 1.210 140 Y HN 0.331 nan 8.280 nan 0.000 0.448 141 L N 5.353 126.652 121.223 0.126 0.000 2.275 141 L HA 0.788 5.128 4.340 0.000 0.000 0.288 141 L C -0.721 176.154 176.870 0.009 0.000 1.046 141 L CA -0.672 54.186 54.840 0.029 0.000 0.805 141 L CB 0.954 43.009 42.059 -0.007 0.000 1.193 141 L HN 0.473 nan 8.230 nan 0.000 0.426 142 V N 3.570 123.456 119.914 -0.046 0.000 2.555 142 V HA 0.771 4.891 4.120 0.000 0.000 0.302 142 V C -0.742 175.303 176.094 -0.082 0.000 1.038 142 V CA -0.544 61.705 62.300 -0.085 0.000 0.887 142 V CB 1.517 33.245 31.823 -0.160 0.000 0.991 142 V HN 0.961 nan 8.190 nan 0.000 0.434 143 N N 3.176 121.842 118.700 -0.056 0.000 2.853 143 N HA 0.516 5.256 4.740 0.000 0.000 0.258 143 N C -0.734 174.750 175.510 -0.043 0.000 1.444 143 N CA -0.909 52.105 53.050 -0.059 0.000 0.837 143 N CB 2.122 40.573 38.487 -0.060 0.000 1.489 143 N HN 0.867 nan 8.380 nan 0.000 0.529 144 M N -0.683 118.852 119.600 -0.108 0.000 2.241 144 M HA 0.415 4.895 4.480 0.000 0.000 0.335 144 M C -1.119 175.154 176.300 -0.045 0.000 1.122 144 M CA -0.013 55.226 55.300 -0.103 0.000 1.164 144 M CB 0.192 32.628 32.600 -0.273 0.000 1.459 144 M HN 0.540 nan 8.290 nan 0.000 0.461 145 Y N 2.979 123.241 120.300 -0.064 0.000 2.328 145 Y HA 0.383 4.933 4.550 0.000 0.000 0.333 145 Y C -1.508 174.387 175.900 -0.009 0.000 0.958 145 Y CA -0.571 57.526 58.100 -0.005 0.000 1.167 145 Y CB 0.896 39.408 38.460 0.087 0.000 1.151 145 Y HN 0.827 nan 8.280 nan 0.000 0.470 146 W N 7.962 129.009 121.300 -0.421 0.000 2.322 146 W HA 0.230 4.890 4.660 0.000 0.000 0.307 146 W C -1.103 175.274 176.519 -0.237 0.000 1.220 146 W CA -0.294 56.847 57.345 -0.339 0.000 1.210 146 W CB 1.235 30.499 29.460 -0.326 0.000 1.223 146 W HN 0.565 nan 8.180 nan 0.000 0.511 147 D N 5.014 124.961 120.400 -0.754 0.000 2.349 147 D HA 0.022 4.662 4.640 0.000 0.000 0.232 147 D C 1.211 177.032 176.300 -0.797 0.000 1.071 147 D CA -0.137 53.513 54.000 -0.584 0.000 0.832 147 D CB 0.731 41.340 40.800 -0.319 0.000 1.086 147 D HN 0.545 nan 8.370 nan 0.000 0.504 148 H N 2.502 121.253 119.070 -0.531 0.000 2.553 148 H HA 0.229 4.785 4.556 0.000 0.000 0.265 148 H C -0.079 174.961 175.328 -0.479 0.000 0.964 148 H CA -0.240 55.471 56.048 -0.561 0.000 1.156 148 H CB 0.288 29.563 29.762 -0.812 0.000 1.411 148 H HN 0.130 nan 8.280 nan 0.000 0.558 149 R N 0.922 120.921 120.500 -0.835 0.000 2.543 149 R HA 0.117 4.458 4.340 0.000 0.000 0.277 149 R C 1.375 177.565 176.300 -0.184 0.000 1.074 149 R CA -0.012 55.766 56.100 -0.537 0.000 1.076 149 R CB 1.390 31.377 30.300 -0.521 0.000 0.993 149 R HN -0.076 nan 8.270 nan 0.000 0.459 150 V N 1.521 121.382 119.914 -0.088 0.000 2.332 150 V HA -0.248 3.872 4.120 0.000 0.000 0.248 150 V C 1.267 177.363 176.094 0.004 0.000 1.055 150 V CA 2.166 64.448 62.300 -0.031 0.000 1.038 150 V CB -0.567 31.255 31.823 -0.002 0.000 0.651 150 V HN 0.878 nan 8.190 nan 0.000 0.450 151 D N -1.521 118.911 120.400 0.054 0.000 2.325 151 D HA 0.037 4.677 4.640 0.000 0.000 0.234 151 D C 0.274 176.435 176.300 -0.231 0.000 1.122 151 D CA 0.029 53.994 54.000 -0.059 0.000 0.850 151 D CB -0.497 40.246 40.800 -0.094 0.000 0.921 151 D HN 0.572 nan 8.370 nan 0.000 0.513 152 H N -1.378 117.648 119.070 -0.074 0.000 2.851 152 H HA 0.325 4.881 4.556 0.000 0.000 0.372 152 H C -1.046 174.256 175.328 -0.043 0.000 1.158 152 H CA -0.946 55.069 56.048 -0.054 0.000 1.159 152 H CB 1.201 30.905 29.762 -0.096 0.000 1.757 152 H HN -0.012 nan 8.280 nan 0.000 0.546 153 H N 3.549 122.637 119.070 0.030 0.000 2.803 153 H HA 0.120 4.676 4.556 0.000 0.000 0.330 153 H C -1.755 173.550 175.328 -0.039 0.000 1.057 153 H CA -1.770 54.283 56.048 0.008 0.000 1.458 153 H CB 1.112 30.884 29.762 0.016 0.000 1.470 153 H HN 0.449 nan 8.280 nan 0.000 0.560 154 P HA -0.078 nan 4.420 nan 0.000 0.223 154 P C -0.374 176.439 177.300 -0.812 0.000 1.151 154 P CA 1.060 63.589 63.100 -0.952 0.000 0.787 154 P CB 0.178 31.064 31.700 -1.356 0.000 0.788 155 F N -1.278 118.337 119.950 -0.558 0.000 2.573 155 F HA 0.174 4.702 4.527 0.000 0.000 0.349 155 F C 1.411 177.260 175.800 0.081 0.000 1.213 155 F CA -0.768 57.160 58.000 -0.120 0.000 1.300 155 F CB -0.530 38.491 39.000 0.035 0.000 1.661 155 F HN -0.136 nan 8.300 nan 0.000 0.616 156 Y N 1.856 122.167 120.300 0.018 0.000 2.651 156 Y HA 0.075 4.625 4.550 0.000 0.000 0.293 156 Y C 1.414 177.350 175.900 0.061 0.000 1.151 156 Y CA 0.998 59.134 58.100 0.060 0.000 1.362 156 Y CB -0.429 38.099 38.460 0.114 0.000 0.973 156 Y HN 0.562 nan 8.280 nan 0.000 0.561 157 G N -0.448 108.441 108.800 0.148 0.000 2.352 157 G HA2 -0.087 3.874 3.960 0.000 0.000 0.324 157 G HA3 -0.087 3.874 3.960 0.000 0.000 0.324 157 G C -1.466 173.511 174.900 0.129 0.000 1.249 157 G CA -0.520 44.620 45.100 0.067 0.000 1.053 157 G HN -0.019 nan 8.290 nan 0.000 0.492 158 I N 0.801 121.432 120.570 0.103 0.000 2.354 158 I HA 0.611 4.782 4.170 0.000 0.000 0.292 158 I C 0.608 176.748 176.117 0.038 0.000 0.989 158 I CA -0.825 60.518 61.300 0.072 0.000 1.188 158 I CB 0.729 38.752 38.000 0.039 0.000 1.342 158 I HN 0.567 nan 8.210 nan 0.000 0.457 159 V N 7.959 127.903 119.914 0.051 0.000 2.630 159 V HA 0.615 4.735 4.120 0.000 0.000 0.305 159 V C -0.765 175.323 176.094 -0.009 0.000 1.046 159 V CA -0.630 61.693 62.300 0.038 0.000 0.934 159 V CB 2.567 34.477 31.823 0.145 0.000 1.003 159 V HN 0.646 nan 8.190 nan 0.000 0.451 160 L N 5.105 126.311 121.223 -0.028 0.000 2.401 160 L HA 0.699 5.039 4.340 0.000 0.000 0.266 160 L C -0.894 176.002 176.870 0.044 0.000 0.991 160 L CA -0.176 54.625 54.840 -0.065 0.000 0.818 160 L CB 1.861 43.751 42.059 -0.282 0.000 1.321 160 L HN 0.831 nan 8.230 nan 0.000 0.413 161 Q N 2.700 122.565 119.800 0.108 0.000 2.353 161 Q HA 0.265 4.605 4.340 0.000 0.000 0.275 161 Q C -1.502 174.634 176.000 0.228 0.000 1.029 161 Q CA -0.680 55.231 55.803 0.180 0.000 0.848 161 Q CB 2.307 31.123 28.738 0.131 0.000 1.390 161 Q HN 0.702 nan 8.270 nan 0.000 0.401 162 E N 1.828 122.175 120.200 0.245 0.000 2.392 162 E HA 0.006 4.356 4.350 0.000 0.000 0.264 162 E C -1.545 175.070 176.600 0.025 0.000 1.024 162 E CA -0.012 56.417 56.400 0.047 0.000 0.903 162 E CB 0.610 30.304 29.700 -0.010 0.000 0.963 162 E HN 0.458 nan 8.360 nan 0.000 0.432 163 Y N 3.171 123.364 120.300 -0.179 0.000 2.331 163 Y HA 0.203 4.753 4.550 0.000 0.000 0.338 163 Y C -0.454 175.373 175.900 -0.120 0.000 0.976 163 Y CA -0.615 57.417 58.100 -0.114 0.000 1.137 163 Y CB 1.465 39.867 38.460 -0.098 0.000 1.172 163 Y HN 0.331 nan 8.280 nan 0.000 0.478 164 S N 5.604 120.887 115.700 -0.695 0.000 2.400 164 S HA 0.210 4.680 4.470 0.000 0.000 0.295 164 S C 0.837 174.956 174.600 -0.800 0.000 1.113 164 S CA -0.532 57.333 58.200 -0.558 0.000 1.064 164 S CB 0.235 63.246 63.200 -0.314 0.000 0.990 164 S HN 0.753 nan 8.310 nan 0.000 0.502 165 V N 5.307 124.965 119.914 -0.427 0.000 2.287 165 V HA -0.168 3.953 4.120 0.000 0.000 0.248 165 V C 2.541 178.600 176.094 -0.059 0.000 1.053 165 V CA 2.412 64.658 62.300 -0.090 0.000 1.027 165 V CB -0.677 31.226 31.823 0.133 0.000 0.646 165 V HN 0.948 nan 8.190 nan 0.000 0.447 166 E N -0.440 119.713 120.200 -0.078 0.000 2.072 166 E HA -0.246 4.104 4.350 0.000 0.000 0.191 166 E C 2.209 178.778 176.600 -0.052 0.000 0.985 166 E CA 1.286 57.663 56.400 -0.039 0.000 0.801 166 E CB -0.038 29.640 29.700 -0.036 0.000 0.750 166 E HN 0.674 nan 8.360 nan 0.000 0.452 167 Q N -0.088 119.648 119.800 -0.107 0.000 2.432 167 Q HA 0.007 4.347 4.340 0.000 0.000 0.205 167 Q C -0.137 175.823 176.000 -0.066 0.000 0.945 167 Q CA 0.254 56.009 55.803 -0.081 0.000 0.924 167 Q CB 0.264 28.947 28.738 -0.093 0.000 1.016 167 Q HN 0.122 nan 8.270 nan 0.000 0.503 168 K N 1.240 121.572 120.400 -0.113 0.000 3.150 168 K HA -0.226 4.094 4.320 0.000 0.000 0.267 168 K C -0.823 175.832 176.600 0.093 0.000 1.028 168 K CA 0.960 57.269 56.287 0.037 0.000 0.753 168 K CB -1.452 31.125 32.500 0.128 0.000 1.288 168 K HN 0.339 nan 8.250 nan 0.000 0.473 169 K N -1.333 119.014 120.400 -0.088 0.000 2.642 169 K HA 0.381 4.701 4.320 0.000 0.000 0.290 169 K C -1.052 175.535 176.600 -0.022 0.000 1.006 169 K CA -1.214 55.111 56.287 0.064 0.000 0.869 169 K CB 0.928 33.460 32.500 0.054 0.000 1.499 169 K HN -0.022 nan 8.250 nan 0.000 0.403 170 L N 2.053 123.343 121.223 0.112 0.000 2.380 170 L HA 0.407 4.747 4.340 0.000 0.000 0.273 170 L C 0.230 177.119 176.870 0.032 0.000 1.138 170 L CA -0.707 54.186 54.840 0.089 0.000 0.832 170 L CB 1.064 43.184 42.059 0.101 0.000 1.124 170 L HN 0.545 nan 8.230 nan 0.000 0.454 171 V N -0.104 119.819 119.914 0.015 0.000 3.074 171 V HA 1.039 5.159 4.120 0.000 0.000 0.314 171 V C 0.400 176.523 176.094 0.048 0.000 1.117 171 V CA 0.022 62.330 62.300 0.014 0.000 1.014 171 V CB 1.093 32.903 31.823 -0.022 0.000 1.057 171 V HN 1.021 nan 8.190 nan 0.000 0.438 172 G N 1.392 110.219 108.800 0.046 0.000 2.598 172 G HA2 -0.085 3.875 3.960 0.000 0.000 0.244 172 G HA3 -0.085 3.875 3.960 0.000 0.000 0.244 172 G C -0.569 174.374 174.900 0.072 0.000 1.302 172 G CA 0.240 45.376 45.100 0.061 0.000 0.903 172 G HN 1.197 nan 8.290 nan 0.000 0.575 173 E N 1.338 121.588 120.200 0.082 0.000 2.195 173 E HA 0.506 4.856 4.350 0.000 0.000 0.271 173 E C -2.314 174.356 176.600 0.117 0.000 0.923 173 E CA -1.688 54.762 56.400 0.082 0.000 0.790 173 E CB 1.915 31.649 29.700 0.057 0.000 1.155 173 E HN 0.453 nan 8.360 nan 0.000 0.402 174 P HA 0.182 nan 4.420 nan 0.000 0.275 174 P C -0.522 176.836 177.300 0.096 0.000 1.227 174 P CA -0.251 62.919 63.100 0.115 0.000 0.781 174 P CB 0.900 32.670 31.700 0.117 0.000 0.906 175 K N 2.724 123.196 120.400 0.120 0.000 2.482 175 K HA 0.413 4.733 4.320 0.000 0.000 0.251 175 K C -0.243 176.390 176.600 0.056 0.000 0.936 175 K CA -0.873 55.487 56.287 0.122 0.000 0.791 175 K CB 2.096 34.779 32.500 0.305 0.000 1.213 175 K HN 0.391 nan 8.250 nan 0.000 0.428 176 I N 5.241 125.814 120.570 0.005 0.000 2.517 176 I HA 0.057 4.227 4.170 0.000 0.000 0.285 176 I C 1.649 177.794 176.117 0.048 0.000 1.106 176 I CA 0.277 61.572 61.300 -0.008 0.000 1.402 176 I CB 0.176 38.145 38.000 -0.051 0.000 1.399 176 I HN 0.653 nan 8.210 nan 0.000 0.535 177 I N 3.380 123.982 120.570 0.053 0.000 4.139 177 I HA 0.370 4.540 4.170 0.000 0.000 0.335 177 I C -0.215 176.042 176.117 0.233 0.000 1.327 177 I CA 0.156 61.530 61.300 0.123 0.000 1.112 177 I CB 0.650 38.666 38.000 0.026 0.000 1.058 177 I HN 0.311 nan 8.210 nan 0.000 0.396 178 F N 1.606 121.518 119.950 -0.062 0.000 2.651 178 F HA 0.396 4.923 4.527 0.000 0.000 0.327 178 F C -0.120 175.632 175.800 -0.080 0.000 1.133 178 F CA -0.876 57.077 58.000 -0.078 0.000 1.076 178 F CB 1.392 40.275 39.000 -0.195 0.000 1.315 178 F HN -0.264 nan 8.300 nan 0.000 0.499 179 K N 3.394 123.425 120.400 -0.615 0.000 2.361 179 K HA 0.461 4.781 4.320 0.000 0.000 0.194 179 K C 0.747 176.982 176.600 -0.608 0.000 1.032 179 K CA 0.662 56.655 56.287 -0.491 0.000 1.048 179 K CB 0.134 32.406 32.500 -0.381 0.000 0.842 179 K HN 1.016 nan 8.250 nan 0.000 0.526 180 G N 1.440 109.447 108.800 -1.323 0.000 2.712 180 G HA2 -0.260 3.700 3.960 0.000 0.000 0.683 180 G HA3 -0.260 3.700 3.960 0.000 0.000 0.683 180 G C 0.077 174.676 174.900 -0.501 0.000 1.320 180 G CA -0.264 44.361 45.100 -0.792 0.000 0.847 180 G HN 0.218 nan 8.290 nan 0.000 0.553 181 T N -2.954 111.482 114.554 -0.196 0.000 2.833 181 T HA 0.535 4.885 4.350 0.000 0.000 0.292 181 T C 1.473 176.076 174.700 -0.162 0.000 1.031 181 T CA 0.988 63.004 62.100 -0.141 0.000 0.937 181 T CB 1.042 69.874 68.868 -0.060 0.000 1.256 181 T HN 1.206 nan 8.240 nan 0.000 0.551 182 D N -0.288 120.022 120.400 -0.149 0.000 2.347 182 D HA -0.032 4.608 4.640 0.000 0.000 0.215 182 D C 1.904 178.093 176.300 -0.185 0.000 0.976 182 D CA 0.453 54.352 54.000 -0.168 0.000 0.884 182 D CB -0.673 40.039 40.800 -0.148 0.000 0.915 182 D HN 0.509 nan 8.370 nan 0.000 0.526 183 L N -0.569 120.553 121.223 -0.168 0.000 2.191 183 L HA -0.072 4.268 4.340 0.000 0.000 0.212 183 L C 1.143 177.909 176.870 -0.173 0.000 1.103 183 L CA 0.389 55.125 54.840 -0.173 0.000 0.769 183 L CB -0.296 41.677 42.059 -0.144 0.000 0.908 183 L HN -0.022 nan 8.230 nan 0.000 0.438 184 R N -1.028 119.367 120.500 -0.175 0.000 3.724 184 R HA -0.267 4.073 4.340 0.000 0.000 0.526 184 R C 0.842 177.085 176.300 -0.095 0.000 0.241 184 R CA 1.235 57.229 56.100 -0.176 0.000 1.638 184 R CB -1.359 28.654 30.300 -0.477 0.000 0.980 184 R HN 0.294 nan 8.270 nan 0.000 0.575 185 I N -0.806 119.742 120.570 -0.035 0.000 6.532 185 I HA -0.255 3.915 4.170 0.000 0.000 0.126 185 I C 0.035 176.014 176.117 -0.229 0.000 1.811 185 I CA 1.218 62.123 61.300 -0.657 0.000 2.115 185 I CB -1.935 35.730 38.000 -0.558 0.000 3.474 185 I HN 0.465 nan 8.210 nan 0.000 0.192 186 T N 3.012 117.644 114.554 0.129 0.000 2.769 186 T HA 0.379 4.729 4.350 0.000 0.000 0.293 186 T C 0.491 175.418 174.700 0.378 0.000 0.931 186 T CA 0.057 62.295 62.100 0.230 0.000 1.139 186 T CB 0.681 69.663 68.868 0.190 0.000 0.881 186 T HN 0.707 nan 8.240 nan 0.000 0.532 187 E N 1.531 121.905 120.200 0.289 0.000 2.391 187 E HA 0.584 4.934 4.350 0.000 0.000 0.256 187 E C 0.319 176.967 176.600 0.080 0.000 0.975 187 E CA -1.329 55.243 56.400 0.286 0.000 0.881 187 E CB 0.382 30.424 29.700 0.571 0.000 1.728 187 E HN 0.519 nan 8.360 nan 0.000 0.446 188 G N 1.677 110.494 108.800 0.028 0.000 2.390 188 G HA2 -0.187 3.773 3.960 0.000 0.000 0.299 188 G HA3 -0.187 3.773 3.960 0.000 0.000 0.299 188 G C -2.213 172.390 174.900 -0.494 0.000 1.002 188 G CA 0.278 45.161 45.100 -0.361 0.000 0.979 188 G HN 0.413 nan 8.290 nan 0.000 0.513 189 P HA 0.241 nan 4.420 nan 0.000 0.271 189 P C -0.406 176.511 177.300 -0.639 0.000 1.216 189 P CA 0.383 63.247 63.100 -0.394 0.000 0.771 189 P CB 0.882 32.432 31.700 -0.251 0.000 0.864 190 H N 2.331 121.280 119.070 -0.201 0.000 2.877 190 H HA 0.368 4.924 4.556 0.000 0.000 0.347 190 H C -0.167 174.857 175.328 -0.507 0.000 1.042 190 H CA -0.608 55.236 56.048 -0.340 0.000 1.276 190 H CB 1.360 31.003 29.762 -0.197 0.000 1.681 190 H HN 0.309 nan 8.280 nan 0.000 0.521 191 L N 3.518 124.450 121.223 -0.484 0.000 2.325 191 L HA 0.374 4.715 4.340 0.000 0.000 0.279 191 L C -0.877 175.626 176.870 -0.611 0.000 1.054 191 L CA -0.641 53.849 54.840 -0.584 0.000 0.804 191 L CB 0.650 42.169 42.059 -0.901 0.000 1.200 191 L HN 0.480 nan 8.230 nan 0.000 0.436 192 Y N 1.435 121.806 120.300 0.118 0.000 2.396 192 Y HA 0.322 4.872 4.550 0.000 0.000 0.332 192 Y C -0.338 175.813 175.900 0.418 0.000 1.034 192 Y CA -1.168 57.161 58.100 0.382 0.000 1.057 192 Y CB 1.633 40.323 38.460 0.384 0.000 1.220 192 Y HN 0.323 nan 8.280 nan 0.000 0.440 193 K N 4.267 125.065 120.400 0.663 0.000 2.263 193 K HA 0.605 4.925 4.320 0.000 0.000 0.282 193 K C -1.515 175.291 176.600 0.343 0.000 1.089 193 K CA 0.193 56.727 56.287 0.411 0.000 0.907 193 K CB -0.118 32.613 32.500 0.385 0.000 1.148 193 K HN 0.684 nan 8.250 nan 0.000 0.470 194 I N 4.596 125.364 120.570 0.329 0.000 2.498 194 I HA 0.268 4.438 4.170 0.000 0.000 0.290 194 I C 0.624 176.815 176.117 0.123 0.000 1.032 194 I CA -0.907 60.498 61.300 0.175 0.000 1.073 194 I CB 1.844 39.802 38.000 -0.071 0.000 1.251 194 I HN 0.849 nan 8.210 nan 0.000 0.426 195 N N 4.683 123.373 118.700 -0.016 0.000 3.013 195 N HA -0.258 4.482 4.740 0.000 0.000 0.183 195 N C 0.932 176.403 175.510 -0.065 0.000 0.363 195 N CA 2.529 55.547 53.050 -0.053 0.000 1.873 195 N CB -1.272 37.171 38.487 -0.074 0.000 1.363 195 N HN 0.947 nan 8.380 nan 0.000 0.392 196 G N -2.841 105.890 108.800 -0.114 0.000 3.815 196 G HA2 0.309 4.269 3.960 0.000 0.000 0.265 196 G HA3 0.309 4.269 3.960 0.000 0.000 0.265 196 G C -0.834 173.831 174.900 -0.392 0.000 1.026 196 G CA -0.062 44.880 45.100 -0.263 0.000 0.868 196 G HN 0.349 nan 8.290 nan 0.000 0.476 197 Y N -0.008 120.186 120.300 -0.178 0.000 2.420 197 Y HA 0.583 5.133 4.550 0.000 0.000 0.334 197 Y C -0.466 175.289 175.900 -0.243 0.000 1.094 197 Y CA -1.379 56.541 58.100 -0.300 0.000 1.126 197 Y CB 1.225 39.336 38.460 -0.581 0.000 1.217 197 Y HN 0.049 nan 8.280 nan 0.000 0.462 198 Y N 2.155 122.498 120.300 0.071 0.000 2.436 198 Y HA 0.209 4.759 4.550 0.000 0.000 0.343 198 Y C -0.827 175.127 175.900 0.090 0.000 1.008 198 Y CA -0.514 57.642 58.100 0.093 0.000 1.241 198 Y CB -0.137 38.322 38.460 -0.002 0.000 1.153 198 Y HN 0.404 nan 8.280 nan 0.000 0.521 199 Y N 3.781 124.266 120.300 0.309 0.000 2.326 199 Y HA 0.387 4.937 4.550 0.000 0.000 0.337 199 Y C -0.377 175.641 175.900 0.197 0.000 1.023 199 Y CA -1.000 57.263 58.100 0.271 0.000 1.143 199 Y CB 1.101 39.736 38.460 0.291 0.000 1.183 199 Y HN 0.438 nan 8.280 nan 0.000 0.485 200 L N 5.784 127.093 121.223 0.144 0.000 2.294 200 L HA 0.532 4.872 4.340 0.000 0.000 0.283 200 L C -1.546 175.257 176.870 -0.112 0.000 1.015 200 L CA -0.759 53.961 54.840 -0.200 0.000 0.831 200 L CB 0.761 42.321 42.059 -0.831 0.000 1.217 200 L HN 0.598 nan 8.230 nan 0.000 0.420 201 L N 5.595 126.846 121.223 0.047 0.000 2.275 201 L HA 0.769 5.109 4.340 0.000 0.000 0.288 201 L C -0.021 176.827 176.870 -0.036 0.000 1.046 201 L CA 0.385 55.283 54.840 0.095 0.000 0.805 201 L CB 1.409 43.671 42.059 0.338 0.000 1.193 201 L HN 0.855 nan 8.230 nan 0.000 0.426 202 T N 2.197 116.716 114.554 -0.059 0.000 2.916 202 T HA 0.909 5.259 4.350 0.000 0.000 0.292 202 T C -0.379 174.301 174.700 -0.032 0.000 1.064 202 T CA -0.566 61.498 62.100 -0.060 0.000 1.011 202 T CB 1.557 70.434 68.868 0.015 0.000 1.152 202 T HN 0.834 nan 8.240 nan 0.000 0.510 203 A N 1.030 123.832 122.820 -0.030 0.000 2.305 203 A HA 0.761 5.082 4.320 0.000 0.000 0.322 203 A C -0.152 177.500 177.584 0.114 0.000 1.187 203 A CA -0.672 51.385 52.037 0.033 0.000 0.825 203 A CB 0.507 19.584 19.000 0.128 0.000 1.164 203 A HN 0.882 nan 8.150 nan 0.000 0.498 204 E N -0.111 120.149 120.200 0.101 0.000 2.429 204 E HA 0.565 4.915 4.350 0.000 0.000 0.276 204 E C 0.419 177.082 176.600 0.104 0.000 0.953 204 E CA -0.399 56.048 56.400 0.078 0.000 0.787 204 E CB 1.915 31.631 29.700 0.026 0.000 1.307 204 E HN 1.434 nan 8.360 nan 0.000 0.458 205 G N 0.439 109.249 108.800 0.017 0.000 2.199 205 G HA2 -0.118 3.842 3.960 0.000 0.000 0.254 205 G HA3 -0.118 3.842 3.960 0.000 0.000 0.254 205 G C 0.554 175.474 174.900 0.032 0.000 0.982 205 G CA 0.135 45.236 45.100 0.003 0.000 0.632 205 G HN 1.334 nan 8.290 nan 0.000 0.529 206 G N -1.941 106.886 108.800 0.045 0.000 2.716 206 G HA2 0.233 4.193 3.960 0.000 0.000 0.686 206 G HA3 0.233 4.193 3.960 0.000 0.000 0.686 206 G C 0.368 175.175 174.900 -0.156 0.000 1.337 206 G CA 0.759 45.853 45.100 -0.011 0.000 0.829 206 G HN 1.635 nan 8.290 nan 0.000 0.599 207 T N 1.077 115.449 114.554 -0.303 0.000 3.317 207 T HA 0.205 4.556 4.350 0.000 0.000 0.250 207 T C 1.617 176.135 174.700 -0.303 0.000 1.106 207 T CA 1.480 63.178 62.100 -0.669 0.000 0.986 207 T CB -0.407 68.207 68.868 -0.424 0.000 1.010 207 T HN 0.564 nan 8.240 nan 0.000 0.560 208 R N -0.792 119.616 120.500 -0.155 0.000 2.103 208 R HA 0.306 4.646 4.340 0.000 0.000 0.155 208 R C 0.885 177.088 176.300 -0.163 0.000 1.173 208 R CA -0.408 55.596 56.100 -0.161 0.000 1.504 208 R CB -0.164 30.126 30.300 -0.016 0.000 1.742 208 R HN 0.223 nan 8.270 nan 0.000 0.595 209 Y N 0.660 121.014 120.300 0.090 0.000 2.544 209 Y HA 0.052 4.602 4.550 0.000 0.000 0.286 209 Y C 1.207 177.260 175.900 0.255 0.000 1.141 209 Y CA 0.855 59.044 58.100 0.147 0.000 1.299 209 Y CB -0.203 38.307 38.460 0.083 0.000 1.030 209 Y HN 0.451 nan 8.280 nan 0.000 0.543 210 N N -1.327 117.555 118.700 0.303 0.000 2.322 210 N HA -0.046 4.694 4.740 0.000 0.000 0.194 210 N C 0.010 175.635 175.510 0.192 0.000 1.126 210 N CA -0.111 53.068 53.050 0.215 0.000 0.845 210 N CB -0.061 38.445 38.487 0.032 0.000 0.976 210 N HN 0.373 nan 8.380 nan 0.000 0.475 211 H N 1.024 120.159 119.070 0.108 0.000 3.001 211 H HA 0.246 4.802 4.556 0.000 0.000 0.334 211 H C -0.378 175.002 175.328 0.087 0.000 1.034 211 H CA -0.301 55.799 56.048 0.086 0.000 1.420 211 H CB 0.560 30.380 29.762 0.097 0.000 1.405 211 H HN 0.181 nan 8.280 nan 0.000 0.593 212 A N 3.048 125.850 122.820 -0.029 0.000 2.587 212 A HA 0.649 4.970 4.320 0.000 0.000 0.293 212 A C -1.384 176.089 177.584 -0.186 0.000 1.087 212 A CA -0.194 51.781 52.037 -0.103 0.000 0.692 212 A CB 1.472 20.447 19.000 -0.042 0.000 1.291 212 A HN 0.781 nan 8.150 nan 0.000 0.407 213 A N 0.899 123.629 122.820 -0.150 0.000 2.271 213 A HA 0.702 5.022 4.320 0.000 0.000 0.317 213 A C -0.084 177.447 177.584 -0.088 0.000 1.245 213 A CA -0.256 51.716 52.037 -0.107 0.000 0.857 213 A CB 0.185 19.131 19.000 -0.090 0.000 1.175 213 A HN 0.782 nan 8.150 nan 0.000 0.512 214 T N 3.129 117.655 114.554 -0.047 0.000 2.794 214 T HA 0.553 4.903 4.350 0.000 0.000 0.280 214 T C -0.395 174.296 174.700 -0.015 0.000 0.987 214 T CA 0.001 62.081 62.100 -0.033 0.000 0.993 214 T CB 0.786 69.674 68.868 0.034 0.000 0.939 214 T HN 0.572 nan 8.240 nan 0.000 0.449 215 I N 2.379 122.951 120.570 0.003 0.000 2.646 215 I HA 0.793 4.963 4.170 0.000 0.000 0.299 215 I C -0.732 175.487 176.117 0.171 0.000 1.036 215 I CA -0.630 60.734 61.300 0.107 0.000 1.074 215 I CB 1.286 39.417 38.000 0.218 0.000 1.258 215 I HN 0.768 nan 8.210 nan 0.000 0.430 216 A N 6.664 129.589 122.820 0.174 0.000 2.566 216 A HA 0.907 5.227 4.320 0.000 0.000 0.292 216 A C -1.344 176.393 177.584 0.256 0.000 1.112 216 A CA -0.755 51.428 52.037 0.243 0.000 0.707 216 A CB 1.848 20.810 19.000 -0.064 0.000 1.302 216 A HN 0.783 nan 8.150 nan 0.000 0.409 217 R N -0.376 120.218 120.500 0.156 0.000 2.774 217 R HA 0.878 5.218 4.340 0.000 0.000 0.272 217 R C -1.092 175.041 176.300 -0.277 0.000 1.000 217 R CA -0.329 55.595 56.100 -0.293 0.000 0.906 217 R CB 1.812 31.330 30.300 -1.303 0.000 1.227 217 R HN 0.954 nan 8.270 nan 0.000 0.468 218 S N -0.573 114.930 115.700 -0.328 0.000 2.550 218 S HA 0.244 4.714 4.470 0.000 0.000 0.270 218 S C 0.288 174.907 174.600 0.031 0.000 1.145 218 S CA -0.192 57.823 58.200 -0.309 0.000 0.852 218 S CB 1.836 64.436 63.200 -1.002 0.000 1.119 218 S HN 0.740 nan 8.310 nan 0.000 0.465 219 T N -0.045 114.529 114.554 0.033 0.000 3.067 219 T HA 0.213 4.563 4.350 0.000 0.000 0.261 219 T C 0.859 175.611 174.700 0.086 0.000 1.110 219 T CA 0.519 62.593 62.100 -0.043 0.000 1.113 219 T CB -0.067 68.712 68.868 -0.148 0.000 0.917 219 T HN 0.441 nan 8.240 nan 0.000 0.499 220 S N 0.141 115.873 115.700 0.053 0.000 2.501 220 S HA 0.511 4.981 4.470 0.000 0.000 0.301 220 S C 0.712 175.260 174.600 -0.087 0.000 1.096 220 S CA -0.961 57.284 58.200 0.076 0.000 1.063 220 S CB 1.451 64.660 63.200 0.016 0.000 1.042 220 S HN 0.221 nan 8.310 nan 0.000 0.494 221 L N 4.922 125.959 121.223 -0.311 0.000 2.131 221 L HA 0.079 4.419 4.340 0.000 0.000 0.210 221 L C 0.933 177.586 176.870 -0.362 0.000 1.092 221 L CA 1.973 56.344 54.840 -0.780 0.000 0.759 221 L CB -0.518 40.916 42.059 -1.041 0.000 0.903 221 L HN 0.875 nan 8.230 nan 0.000 0.435 222 Y N -0.023 120.168 120.300 -0.182 0.000 2.461 222 Y HA 0.409 4.959 4.550 0.000 0.000 0.277 222 Y C 1.649 177.567 175.900 0.029 0.000 1.182 222 Y CA 0.142 58.218 58.100 -0.041 0.000 1.276 222 Y CB -0.595 37.832 38.460 -0.055 0.000 1.087 222 Y HN 0.301 nan 8.280 nan 0.000 0.519 223 G N 1.067 109.854 108.800 -0.021 0.000 2.569 223 G HA2 -0.273 3.687 3.960 0.000 0.000 0.259 223 G HA3 -0.273 3.687 3.960 0.000 0.000 0.259 223 G C -2.221 172.665 174.900 -0.023 0.000 1.263 223 G CA -0.750 44.253 45.100 -0.163 0.000 0.928 223 G HN 0.158 nan 8.290 nan 0.000 0.572 224 P HA 0.333 nan 4.420 nan 0.000 0.267 224 P C -0.875 176.439 177.300 0.025 0.000 1.200 224 P CA 0.276 63.433 63.100 0.095 0.000 0.772 224 P CB 0.193 31.943 31.700 0.084 0.000 0.855 225 Y N 0.360 120.741 120.300 0.136 0.000 2.323 225 Y HA 0.202 4.752 4.550 0.000 0.000 0.331 225 Y C 1.304 177.297 175.900 0.155 0.000 1.092 225 Y CA -0.304 57.862 58.100 0.109 0.000 1.150 225 Y CB 1.076 39.556 38.460 0.033 0.000 1.200 225 Y HN 0.400 nan 8.280 nan 0.000 0.472 226 E N 1.632 121.967 120.200 0.225 0.000 2.175 226 E HA 0.549 4.899 4.350 0.000 0.000 0.278 226 E C -1.431 175.346 176.600 0.295 0.000 0.969 226 E CA -0.862 55.671 56.400 0.222 0.000 0.796 226 E CB 1.449 31.246 29.700 0.162 0.000 1.104 226 E HN 0.295 nan 8.360 nan 0.000 0.395 227 V N 3.860 123.892 119.914 0.196 0.000 2.583 227 V HA -0.019 4.101 4.120 0.000 0.000 0.287 227 V C 0.705 176.662 176.094 -0.228 0.000 1.051 227 V CA -0.579 61.775 62.300 0.090 0.000 1.010 227 V CB 0.673 32.553 31.823 0.095 0.000 0.988 227 V HN 0.767 nan 8.190 nan 0.000 0.478 228 H N 8.600 127.236 119.070 -0.724 0.000 3.209 228 H HA -0.056 4.501 4.556 0.000 0.000 0.297 228 H C -1.464 173.372 175.328 -0.820 0.000 0.936 228 H CA -0.724 54.464 56.048 -1.433 0.000 1.392 228 H CB 1.163 30.379 29.762 -0.910 0.000 1.349 228 H HN 0.426 nan 8.280 nan 0.000 0.568 229 P HA -0.053 nan 4.420 nan 0.000 0.226 229 P C 0.008 177.263 177.300 -0.075 0.000 1.153 229 P CA 0.979 63.929 63.100 -0.250 0.000 0.777 229 P CB 0.620 32.178 31.700 -0.236 0.000 0.794 230 D N -0.522 119.916 120.400 0.064 0.000 2.788 230 D HA 0.098 4.738 4.640 0.000 0.000 0.289 230 D C 0.087 176.191 176.300 -0.327 0.000 1.340 230 D CA -0.389 53.581 54.000 -0.049 0.000 0.831 230 D CB -0.370 40.499 40.800 0.115 0.000 1.103 230 D HN 0.070 nan 8.370 nan 0.000 0.476 231 N N 2.121 120.621 118.700 -0.334 0.000 2.441 231 N HA 0.089 4.829 4.740 0.000 0.000 0.251 231 N C -2.359 173.023 175.510 -0.214 0.000 1.242 231 N CA -0.550 52.285 53.050 -0.359 0.000 0.898 231 N CB 0.634 38.991 38.487 -0.218 0.000 1.100 231 N HN -0.114 nan 8.380 nan 0.000 0.443 232 P HA 0.045 nan 4.420 nan 0.000 0.275 232 P C 0.608 177.717 177.300 -0.319 0.000 1.228 232 P CA -0.430 62.545 63.100 -0.209 0.000 0.786 232 P CB 0.637 32.269 31.700 -0.114 0.000 0.927 233 L N 2.808 123.809 121.223 -0.370 0.000 2.079 233 L HA 0.051 4.391 4.340 0.000 0.000 0.210 233 L C 0.409 177.132 176.870 -0.245 0.000 1.081 233 L CA 1.916 56.512 54.840 -0.407 0.000 0.752 233 L CB -0.475 41.407 42.059 -0.295 0.000 0.896 233 L HN 0.361 nan 8.230 nan 0.000 0.433 234 L N -1.192 119.925 121.223 -0.176 0.000 2.505 234 L HA 0.599 4.939 4.340 0.000 0.000 0.266 234 L C -0.928 175.888 176.870 -0.090 0.000 0.954 234 L CA 0.229 54.982 54.840 -0.145 0.000 0.852 234 L CB 1.892 43.829 42.059 -0.204 0.000 1.282 234 L HN -0.020 nan 8.230 nan 0.000 0.403 235 T N 1.502 116.056 114.554 -0.000 0.000 2.885 235 T HA 0.423 4.773 4.350 0.000 0.000 0.322 235 T C -0.054 174.787 174.700 0.235 0.000 1.387 235 T CA 0.074 62.237 62.100 0.105 0.000 1.041 235 T CB 1.741 70.692 68.868 0.139 0.000 1.287 235 T HN 0.555 nan 8.240 nan 0.000 0.491 236 S N 1.262 117.129 115.700 0.278 0.000 2.502 236 S HA 0.110 4.580 4.470 0.000 0.000 0.215 236 S C 1.239 176.063 174.600 0.375 0.000 1.009 236 S CA -0.210 58.197 58.200 0.345 0.000 0.908 236 S CB -0.178 63.184 63.200 0.271 0.000 0.801 236 S HN 0.760 nan 8.310 nan 0.000 0.505 237 W N 4.611 126.007 121.300 0.160 0.000 2.304 237 W HA -0.139 4.521 4.660 0.000 0.000 0.315 237 W C -1.415 175.096 176.519 -0.014 0.000 1.233 237 W CA 1.849 59.244 57.345 0.085 0.000 1.261 237 W CB -1.019 28.471 29.460 0.051 0.000 1.150 237 W HN 0.209 nan 8.180 nan 0.000 0.494 238 P HA -0.040 nan 4.420 nan 0.000 0.245 238 P C -1.007 175.850 177.300 -0.738 0.000 1.212 238 P CA 1.007 63.688 63.100 -0.698 0.000 0.774 238 P CB -0.427 30.941 31.700 -0.554 0.000 0.999 239 Y N 1.027 121.252 120.300 -0.125 0.000 2.747 239 Y HA 0.308 4.858 4.550 0.000 0.000 0.362 239 Y C -1.415 174.442 175.900 -0.072 0.000 1.026 239 Y CA -2.518 55.536 58.100 -0.075 0.000 1.135 239 Y CB 0.816 39.268 38.460 -0.012 0.000 1.175 239 Y HN -0.020 nan 8.280 nan 0.000 0.643 240 P HA -0.066 nan 4.420 nan 0.000 0.233 240 P C 0.741 178.037 177.300 -0.007 0.000 1.167 240 P CA 1.046 64.108 63.100 -0.063 0.000 0.770 240 P CB 0.431 32.039 31.700 -0.152 0.000 0.837 241 R N -1.285 119.231 120.500 0.027 0.000 2.334 241 R HA 0.128 4.468 4.340 0.000 0.000 0.216 241 R C 0.872 177.207 176.300 0.058 0.000 0.905 241 R CA -0.320 55.800 56.100 0.032 0.000 1.064 241 R CB -0.232 30.082 30.300 0.023 0.000 1.046 241 R HN 0.094 nan 8.270 nan 0.000 0.508 242 N N 2.590 121.345 118.700 0.091 0.000 2.468 242 N HA -0.002 4.738 4.740 0.000 0.000 0.265 242 N C -1.589 173.979 175.510 0.097 0.000 1.199 242 N CA -1.274 51.828 53.050 0.088 0.000 0.928 242 N CB 1.300 39.849 38.487 0.103 0.000 1.059 242 N HN -0.035 nan 8.380 nan 0.000 0.467 243 P HA -0.044 nan 4.420 nan 0.000 0.230 243 P C -0.059 177.326 177.300 0.141 0.000 1.158 243 P CA 0.923 64.085 63.100 0.104 0.000 0.769 243 P CB 0.409 32.163 31.700 0.090 0.000 0.807 244 L N 0.559 121.866 121.223 0.139 0.000 2.295 244 L HA 0.306 4.646 4.340 0.000 0.000 0.281 244 L C 0.560 177.543 176.870 0.190 0.000 1.018 244 L CA -0.558 54.382 54.840 0.166 0.000 0.841 244 L CB 1.115 43.271 42.059 0.162 0.000 1.218 244 L HN -0.118 nan 8.230 nan 0.000 0.424 245 Q N 2.316 122.245 119.800 0.215 0.000 2.194 245 Q HA 0.372 4.712 4.340 0.000 0.000 0.245 245 Q C 0.011 176.125 176.000 0.191 0.000 0.993 245 Q CA -0.707 55.244 55.803 0.246 0.000 0.930 245 Q CB 1.573 30.535 28.738 0.373 0.000 1.238 245 Q HN 0.364 nan 8.270 nan 0.000 0.486 246 K N -1.243 119.263 120.400 0.176 0.000 3.129 246 K HA -0.191 4.129 4.320 0.000 0.000 0.273 246 K C -0.486 176.303 176.600 0.315 0.000 1.123 246 K CA 0.590 56.983 56.287 0.175 0.000 0.800 246 K CB -2.040 30.460 32.500 -0.001 0.000 1.238 246 K HN 0.651 nan 8.250 nan 0.000 0.492 247 A N 1.064 124.031 122.820 0.246 0.000 2.484 247 A HA 0.560 4.880 4.320 0.000 0.000 0.268 247 A C 0.946 178.520 177.584 -0.017 0.000 1.114 247 A CA 0.926 53.075 52.037 0.186 0.000 0.780 247 A CB 0.437 19.433 19.000 -0.006 0.000 1.061 247 A HN 0.646 nan 8.150 nan 0.000 0.505 248 G N 0.475 109.239 108.800 -0.059 0.000 2.340 248 G HA2 0.448 4.408 3.960 0.000 0.000 0.299 248 G HA3 0.448 4.408 3.960 0.000 0.000 0.299 248 G C -0.327 174.525 174.900 -0.080 0.000 1.291 248 G CA -0.000 44.770 45.100 -0.549 0.000 0.841 248 G HN 1.511 nan 8.290 nan 0.000 0.500 249 H N -0.877 118.099 119.070 -0.157 0.000 2.496 249 H HA 0.019 4.575 4.556 0.000 0.000 0.323 249 H C 0.633 176.100 175.328 0.232 0.000 1.054 249 H CA 1.022 57.184 56.048 0.189 0.000 1.095 249 H CB -0.932 29.043 29.762 0.354 0.000 1.595 249 H HN 1.309 nan 8.280 nan 0.000 0.388 250 A N 1.957 124.929 122.820 0.254 0.000 2.264 250 A HA 0.740 5.060 4.320 0.000 0.000 0.304 250 A C 0.180 177.977 177.584 0.354 0.000 1.100 250 A CA 0.104 52.315 52.037 0.291 0.000 0.839 250 A CB 1.072 20.186 19.000 0.191 0.000 1.121 250 A HN 0.864 nan 8.150 nan 0.000 0.496 251 S N -0.384 115.499 115.700 0.304 0.000 2.549 251 S HA 0.734 5.204 4.470 0.000 0.000 0.280 251 S C -0.871 173.884 174.600 0.259 0.000 1.109 251 S CA -0.544 57.832 58.200 0.293 0.000 0.905 251 S CB 0.945 64.260 63.200 0.191 0.000 1.081 251 S HN 0.548 nan 8.310 nan 0.000 0.477 252 I N 2.026 122.727 120.570 0.219 0.000 2.377 252 I HA 0.568 4.738 4.170 0.000 0.000 0.293 252 I C -0.604 175.632 176.117 0.199 0.000 0.987 252 I CA -1.039 60.322 61.300 0.103 0.000 1.185 252 I CB 1.860 39.729 38.000 -0.220 0.000 1.341 252 I HN 0.550 nan 8.210 nan 0.000 0.455 253 V N 6.624 126.711 119.914 0.287 0.000 2.555 253 V HA 0.362 4.482 4.120 0.000 0.000 0.302 253 V C -0.777 175.433 176.094 0.193 0.000 1.038 253 V CA -0.344 62.132 62.300 0.294 0.000 0.887 253 V CB 1.745 33.773 31.823 0.341 0.000 0.991 253 V HN 0.747 nan 8.190 nan 0.000 0.434 254 H N 4.942 123.917 119.070 -0.158 0.000 2.581 254 H HA 0.436 4.992 4.556 0.000 0.000 0.308 254 H C 0.266 175.480 175.328 -0.189 0.000 1.040 254 H CA -0.235 55.416 56.048 -0.661 0.000 1.231 254 H CB 1.164 30.273 29.762 -1.089 0.000 1.396 254 H HN 0.905 nan 8.280 nan 0.000 0.467 255 T N 1.115 115.608 114.554 -0.102 0.000 2.766 255 T HA -0.065 4.285 4.350 0.000 0.000 0.295 255 T C 1.244 175.883 174.700 -0.102 0.000 1.024 255 T CA -0.213 61.937 62.100 0.083 0.000 1.018 255 T CB 0.520 69.438 68.868 0.082 0.000 1.002 255 T HN 0.859 nan 8.240 nan 0.000 0.532 256 H N -1.751 117.338 119.070 0.033 0.000 2.553 256 H HA 0.225 4.781 4.556 0.000 0.000 0.269 256 H C 1.158 176.457 175.328 -0.048 0.000 1.011 256 H CA 0.539 56.553 56.048 -0.057 0.000 1.150 256 H CB -0.547 29.208 29.762 -0.013 0.000 1.339 256 H HN 0.704 nan 8.280 nan 0.000 0.604 257 T N -3.867 110.482 114.554 -0.342 0.000 3.182 257 T HA 0.086 4.436 4.350 0.000 0.000 0.277 257 T C 0.299 174.935 174.700 -0.107 0.000 1.013 257 T CA -0.020 61.930 62.100 -0.251 0.000 0.900 257 T CB -0.102 68.605 68.868 -0.269 0.000 1.098 257 T HN 0.321 nan 8.240 nan 0.000 0.543 258 D N 1.444 121.762 120.400 -0.137 0.000 2.723 258 D HA -0.143 4.497 4.640 0.000 0.000 0.236 258 D C -0.426 175.936 176.300 0.103 0.000 1.138 258 D CA 0.873 54.879 54.000 0.010 0.000 0.676 258 D CB -1.191 39.669 40.800 0.101 0.000 1.069 258 D HN 0.805 nan 8.370 nan 0.000 0.430 259 E N -0.874 119.334 120.200 0.013 0.000 2.263 259 E HA 0.643 4.993 4.350 0.000 0.000 0.264 259 E C -0.400 176.166 176.600 -0.056 0.000 0.923 259 E CA -0.889 55.544 56.400 0.055 0.000 0.802 259 E CB 1.081 30.819 29.700 0.063 0.000 1.228 259 E HN 0.106 nan 8.360 nan 0.000 0.417 260 W N 1.232 122.471 121.300 -0.102 0.000 2.656 260 W HA 0.501 5.161 4.660 0.000 0.000 0.327 260 W C -0.938 175.331 176.519 -0.416 0.000 1.041 260 W CA -0.349 56.978 57.345 -0.030 0.000 1.229 260 W CB 0.934 30.482 29.460 0.147 0.000 1.397 260 W HN 0.389 nan 8.180 nan 0.000 0.479 261 F N 2.272 122.400 119.950 0.297 0.000 2.620 261 F HA 0.686 5.213 4.527 0.000 0.000 0.320 261 F C -0.817 175.092 175.800 0.182 0.000 1.069 261 F CA -1.364 56.750 58.000 0.191 0.000 0.953 261 F CB 1.574 40.647 39.000 0.121 0.000 1.322 261 F HN -0.041 nan 8.300 nan 0.000 0.479 262 L N 2.909 124.349 121.223 0.361 0.000 2.471 262 L HA 0.607 4.947 4.340 0.000 0.000 0.263 262 L C -0.972 176.071 176.870 0.289 0.000 0.985 262 L CA -0.632 54.362 54.840 0.258 0.000 0.868 262 L CB 1.277 43.427 42.059 0.151 0.000 1.203 262 L HN 0.441 nan 8.230 nan 0.000 0.429 263 V N 1.835 121.900 119.914 0.251 0.000 2.732 263 V HA 0.772 4.892 4.120 0.000 0.000 0.297 263 V C -0.349 175.895 176.094 0.250 0.000 1.060 263 V CA 0.113 62.525 62.300 0.186 0.000 1.038 263 V CB 1.014 32.877 31.823 0.067 0.000 1.003 263 V HN 1.018 nan 8.190 nan 0.000 0.481 264 H N 2.433 121.551 119.070 0.082 0.000 3.037 264 H HA 0.730 5.287 4.556 0.000 0.000 0.355 264 H C -0.823 174.562 175.328 0.095 0.000 1.263 264 H CA -1.135 54.978 56.048 0.109 0.000 1.129 264 H CB 1.247 31.061 29.762 0.087 0.000 1.861 264 H HN 0.931 nan 8.280 nan 0.000 0.546 265 L N -0.424 120.891 121.223 0.153 0.000 2.439 265 L HA 0.791 5.131 4.340 0.000 0.000 0.261 265 L C 0.080 177.043 176.870 0.155 0.000 1.153 265 L CA -0.053 54.842 54.840 0.091 0.000 0.808 265 L CB 1.381 43.543 42.059 0.172 0.000 1.126 265 L HN 0.901 nan 8.230 nan 0.000 0.460 266 T N 0.607 115.211 114.554 0.084 0.000 2.932 266 T HA 0.712 5.062 4.350 0.000 0.000 0.318 266 T C -0.530 174.239 174.700 0.116 0.000 1.265 266 T CA -0.099 62.088 62.100 0.144 0.000 1.036 266 T CB 1.136 70.084 68.868 0.133 0.000 1.209 266 T HN 1.169 nan 8.240 nan 0.000 0.484 267 G N 2.064 110.937 108.800 0.122 0.000 2.379 267 G HA2 0.604 4.564 3.960 0.000 0.000 0.327 267 G HA3 0.604 4.564 3.960 0.000 0.000 0.327 267 G C -0.860 174.156 174.900 0.193 0.000 1.145 267 G CA -0.659 44.516 45.100 0.125 0.000 0.905 267 G HN 0.692 nan 8.290 nan 0.000 0.466 268 R N 2.783 123.435 120.500 0.253 0.000 2.346 268 R HA 0.360 4.700 4.340 0.000 0.000 0.309 268 R C -2.377 174.162 176.300 0.399 0.000 1.119 268 R CA -1.469 54.836 56.100 0.341 0.000 1.112 268 R CB 1.094 31.674 30.300 0.466 0.000 1.132 268 R HN 0.310 nan 8.270 nan 0.000 0.538 269 P HA -0.040 nan 4.420 nan 0.000 0.269 269 P C -0.313 177.096 177.300 0.181 0.000 1.209 269 P CA -0.089 63.182 63.100 0.285 0.000 0.776 269 P CB 0.645 32.489 31.700 0.240 0.000 0.876 270 L N 3.942 125.291 121.223 0.209 0.000 2.482 270 L HA 0.151 4.491 4.340 0.000 0.000 0.273 270 L C -1.521 175.349 176.870 -0.001 0.000 1.228 270 L CA -1.538 53.333 54.840 0.051 0.000 0.827 270 L CB -0.626 41.543 42.059 0.182 0.000 1.099 270 L HN 0.318 nan 8.230 nan 0.000 0.494 271 P HA -0.006 nan 4.420 nan 0.000 0.263 271 P C -0.876 176.426 177.300 0.003 0.000 1.195 271 P CA 0.148 63.225 63.100 -0.039 0.000 0.762 271 P CB 0.159 31.831 31.700 -0.047 0.000 0.799 272 R N 1.156 121.660 120.500 0.008 0.000 2.834 272 R HA 0.345 4.685 4.340 0.000 0.000 0.362 272 R C -0.658 175.641 176.300 -0.003 0.000 1.147 272 R CA -0.627 55.480 56.100 0.010 0.000 1.125 272 R CB -0.085 30.233 30.300 0.030 0.000 1.361 272 R HN 0.196 nan 8.270 nan 0.000 0.598 273 E N 0.700 120.896 120.200 -0.007 0.000 2.415 273 E HA 0.222 4.572 4.350 0.000 0.000 0.263 273 E C 1.007 177.600 176.600 -0.012 0.000 0.995 273 E CA 1.623 58.018 56.400 -0.009 0.000 0.915 273 E CB 0.718 30.413 29.700 -0.008 0.000 0.951 273 E HN 0.574 nan 8.360 nan 0.000 0.449 274 G N 2.422 111.214 108.800 -0.013 0.000 2.176 274 G HA2 -0.285 3.675 3.960 0.000 0.000 0.253 274 G HA3 -0.285 3.675 3.960 0.000 0.000 0.253 274 G C -0.019 174.872 174.900 -0.016 0.000 0.979 274 G CA -0.141 44.950 45.100 -0.015 0.000 0.641 274 G HN 0.446 nan 8.290 nan 0.000 0.530 275 Q N 0.280 120.071 119.800 -0.016 0.000 2.226 275 Q HA 0.514 4.854 4.340 0.000 0.000 0.256 275 Q C -2.570 173.419 176.000 -0.019 0.000 0.962 275 Q CA -1.859 53.935 55.803 -0.015 0.000 0.887 275 Q CB 1.381 30.113 28.738 -0.010 0.000 1.282 275 Q HN 0.164 nan 8.270 nan 0.000 0.449 276 P HA -0.009 nan 4.420 nan 0.000 0.271 276 P C 0.299 177.575 177.300 -0.040 0.000 1.226 276 P CA -0.159 62.925 63.100 -0.026 0.000 0.765 276 P CB 0.511 32.199 31.700 -0.021 0.000 0.835 277 L N 4.104 125.296 121.223 -0.052 0.000 2.042 277 L HA -0.168 4.172 4.340 0.000 0.000 0.210 277 L C 1.530 178.336 176.870 -0.107 0.000 1.076 277 L CA 1.999 56.795 54.840 -0.073 0.000 0.749 277 L CB -0.456 41.560 42.059 -0.073 0.000 0.893 277 L HN 0.400 nan 8.230 nan 0.000 0.432 278 L N -1.950 119.212 121.223 -0.102 0.000 2.664 278 L HA 0.126 4.466 4.340 0.000 0.000 0.233 278 L C 2.056 178.865 176.870 -0.103 0.000 1.113 278 L CA -0.092 54.672 54.840 -0.126 0.000 0.896 278 L CB -0.109 41.878 42.059 -0.120 0.000 1.163 278 L HN 0.181 nan 8.230 nan 0.000 0.497 279 E N 0.547 120.709 120.200 -0.063 0.000 2.017 279 E HA -0.139 4.211 4.350 0.000 0.000 0.193 279 E C 0.674 177.270 176.600 -0.007 0.000 0.997 279 E CA 1.381 57.768 56.400 -0.022 0.000 0.804 279 E CB 0.238 29.940 29.700 0.004 0.000 0.757 279 E HN 0.213 nan 8.360 nan 0.000 0.448 280 H N -0.745 118.249 119.070 -0.125 0.000 2.924 280 H HA 0.352 4.908 4.556 0.000 0.000 0.333 280 H C -0.140 175.014 175.328 -0.290 0.000 0.979 280 H CA -0.452 55.483 56.048 -0.190 0.000 1.326 280 H CB 0.874 30.553 29.762 -0.138 0.000 1.600 280 H HN 0.057 nan 8.280 nan 0.000 0.520 281 R N 2.488 122.562 120.500 -0.709 0.000 2.313 281 R HA 0.222 4.562 4.340 0.000 0.000 0.199 281 R C 0.468 176.455 176.300 -0.522 0.000 0.958 281 R CA 0.514 56.171 56.100 -0.737 0.000 1.047 281 R CB 0.594 30.194 30.300 -1.166 0.000 0.955 281 R HN 0.795 nan 8.270 nan 0.000 0.481 282 G N -0.446 108.198 108.800 -0.260 0.000 2.347 282 G HA2 -0.070 3.890 3.960 0.000 0.000 0.477 282 G HA3 -0.070 3.890 3.960 0.000 0.000 0.477 282 G C -1.888 173.050 174.900 0.064 0.000 1.349 282 G CA -1.049 44.087 45.100 0.060 0.000 1.000 282 G HN 0.062 nan 8.290 nan 0.000 0.605 283 Y N -0.796 119.706 120.300 0.337 0.000 2.350 283 Y HA 0.558 5.108 4.550 0.000 0.000 0.338 283 Y C 0.436 176.519 175.900 0.305 0.000 0.961 283 Y CA -0.688 57.613 58.100 0.334 0.000 1.100 283 Y CB 2.183 40.828 38.460 0.308 0.000 1.179 283 Y HN 0.683 nan 8.280 nan 0.000 0.454 284 C N 5.777 125.318 119.300 0.402 0.000 2.317 284 C HA 0.240 4.701 4.460 0.000 0.000 0.306 284 C C -1.248 173.905 174.990 0.272 0.000 1.087 284 C CA -1.408 57.815 59.018 0.341 0.000 1.529 284 C CB 0.353 28.247 27.740 0.256 0.000 1.880 284 C HN 0.655 nan 8.230 nan 0.000 0.417 285 P HA -0.040 nan 4.420 nan 0.000 0.225 285 P C 0.992 178.340 177.300 0.081 0.000 1.156 285 P CA 1.086 64.269 63.100 0.140 0.000 0.787 285 P CB 0.258 32.074 31.700 0.194 0.000 0.802 286 L N -1.370 119.920 121.223 0.111 0.000 2.599 286 L HA 0.176 4.516 4.340 0.000 0.000 0.230 286 L C 1.586 178.492 176.870 0.061 0.000 1.141 286 L CA 0.392 55.244 54.840 0.020 0.000 0.877 286 L CB -1.245 40.728 42.059 -0.143 0.000 1.009 286 L HN 0.104 nan 8.230 nan 0.000 0.447 287 G N 1.283 110.152 108.800 0.115 0.000 2.547 287 G HA2 -0.320 3.641 3.960 0.000 0.000 0.271 287 G HA3 -0.320 3.641 3.960 0.000 0.000 0.271 287 G C -0.050 174.931 174.900 0.134 0.000 1.209 287 G CA -0.272 44.911 45.100 0.137 0.000 0.959 287 G HN 0.377 nan 8.290 nan 0.000 0.563 288 R N 1.247 121.841 120.500 0.157 0.000 2.255 288 R HA 0.529 4.869 4.340 0.000 0.000 0.326 288 R C 0.040 176.412 176.300 0.120 0.000 0.986 288 R CA -0.306 55.873 56.100 0.132 0.000 0.847 288 R CB 1.297 31.676 30.300 0.132 0.000 1.111 288 R HN 0.629 nan 8.270 nan 0.000 0.452 289 E N 0.732 120.972 120.200 0.066 0.000 2.264 289 E HA 0.312 4.662 4.350 0.000 0.000 0.260 289 E C -0.623 175.936 176.600 -0.069 0.000 0.961 289 E CA -0.853 55.555 56.400 0.014 0.000 0.834 289 E CB 1.833 31.526 29.700 -0.010 0.000 1.230 289 E HN 0.287 nan 8.360 nan 0.000 0.412 290 T N 1.026 115.479 114.554 -0.169 0.000 2.767 290 T HA 0.573 4.923 4.350 0.000 0.000 0.284 290 T C -0.634 173.875 174.700 -0.318 0.000 0.973 290 T CA -0.469 61.468 62.100 -0.270 0.000 0.996 290 T CB 1.025 69.674 68.868 -0.364 0.000 0.927 290 T HN 0.498 nan 8.240 nan 0.000 0.456 291 A N 3.365 125.935 122.820 -0.417 0.000 2.387 291 A HA 0.928 5.249 4.320 0.000 0.000 0.303 291 A C -1.036 176.403 177.584 -0.242 0.000 1.145 291 A CA -0.863 50.956 52.037 -0.362 0.000 0.801 291 A CB 1.165 19.915 19.000 -0.416 0.000 1.342 291 A HN 0.859 nan 8.150 nan 0.000 0.440 292 I N -0.163 120.405 120.570 -0.003 0.000 2.533 292 I HA 0.442 4.613 4.170 0.000 0.000 0.290 292 I C -1.295 174.978 176.117 0.260 0.000 1.056 292 I CA -0.488 60.902 61.300 0.150 0.000 1.057 292 I CB 1.882 39.937 38.000 0.092 0.000 1.240 292 I HN 0.603 nan 8.210 nan 0.000 0.423 293 Q N 6.037 126.029 119.800 0.320 0.000 2.348 293 Q HA 0.500 4.841 4.340 0.000 0.000 0.271 293 Q C -0.939 175.237 176.000 0.294 0.000 1.067 293 Q CA -0.726 55.227 55.803 0.250 0.000 0.839 293 Q CB 2.483 31.300 28.738 0.132 0.000 1.354 293 Q HN 0.629 nan 8.270 nan 0.000 0.447 294 R N 1.090 121.699 120.500 0.181 0.000 2.459 294 R HA 0.576 4.916 4.340 0.000 0.000 0.281 294 R C -0.565 175.696 176.300 -0.064 0.000 1.050 294 R CA -0.251 55.843 56.100 -0.010 0.000 1.055 294 R CB 0.616 30.896 30.300 -0.034 0.000 1.045 294 R HN 0.503 nan 8.270 nan 0.000 0.495 295 L N 2.566 123.705 121.223 -0.141 0.000 2.319 295 L HA 0.515 4.855 4.340 0.000 0.000 0.267 295 L C -0.484 176.342 176.870 -0.074 0.000 1.011 295 L CA -0.670 54.111 54.840 -0.099 0.000 0.818 295 L CB 2.062 44.070 42.059 -0.085 0.000 1.316 295 L HN 0.761 nan 8.230 nan 0.000 0.432 296 E N 0.212 120.336 120.200 -0.126 0.000 2.390 296 E HA 0.421 4.771 4.350 0.000 0.000 0.277 296 E C -2.114 174.401 176.600 -0.141 0.000 0.939 296 E CA -0.934 55.449 56.400 -0.029 0.000 0.769 296 E CB 1.547 31.258 29.700 0.017 0.000 1.251 296 E HN 0.295 nan 8.360 nan 0.000 0.450 297 W N 1.192 122.453 121.300 -0.065 0.000 2.478 297 W HA 0.503 5.163 4.660 0.000 0.000 0.318 297 W C -0.505 176.026 176.519 0.021 0.000 1.062 297 W CA -0.574 56.738 57.345 -0.056 0.000 1.210 297 W CB 2.008 31.329 29.460 -0.232 0.000 1.325 297 W HN 0.355 nan 8.180 nan 0.000 0.496 298 K N 2.752 123.341 120.400 0.315 0.000 2.668 298 K HA 0.185 4.505 4.320 0.000 0.000 0.246 298 K C -1.220 175.558 176.600 0.296 0.000 0.976 298 K CA -0.643 55.754 56.287 0.183 0.000 0.902 298 K CB 1.476 33.897 32.500 -0.131 0.000 1.172 298 K HN 0.394 nan 8.250 nan 0.000 0.452 299 D N 2.187 122.714 120.400 0.212 0.000 2.746 299 D HA -0.158 4.482 4.640 0.000 0.000 0.236 299 D C 0.694 177.090 176.300 0.160 0.000 1.129 299 D CA 2.057 56.175 54.000 0.196 0.000 0.691 299 D CB -1.069 39.858 40.800 0.212 0.000 1.077 299 D HN 1.009 nan 8.370 nan 0.000 0.432 300 G N -1.753 107.141 108.800 0.157 0.000 2.147 300 G HA2 -0.281 3.679 3.960 0.000 0.000 0.244 300 G HA3 -0.281 3.679 3.960 0.000 0.000 0.244 300 G C -0.072 174.793 174.900 -0.058 0.000 1.005 300 G CA 0.189 45.323 45.100 0.056 0.000 0.713 300 G HN 0.381 nan 8.290 nan 0.000 0.515 301 W N 0.341 121.806 121.300 0.275 0.000 2.839 301 W HA 0.554 5.214 4.660 0.000 0.000 0.334 301 W C -2.158 174.061 176.519 -0.499 0.000 1.064 301 W CA -2.542 54.720 57.345 -0.139 0.000 1.236 301 W CB 2.252 31.467 29.460 -0.408 0.000 1.405 301 W HN -0.027 nan 8.180 nan 0.000 0.478 302 P HA 0.224 nan 4.420 nan 0.000 0.278 302 P C -1.457 175.539 177.300 -0.507 0.000 1.238 302 P CA -0.101 62.280 63.100 -1.199 0.000 0.794 302 P CB 1.242 32.079 31.700 -1.439 0.000 0.955 303 Y N -0.157 119.932 120.300 -0.351 0.000 2.406 303 Y HA 0.238 4.788 4.550 0.000 0.000 0.340 303 Y C 0.206 176.009 175.900 -0.162 0.000 0.975 303 Y CA -1.142 56.868 58.100 -0.149 0.000 1.056 303 Y CB 2.082 40.497 38.460 -0.075 0.000 1.210 303 Y HN 0.027 nan 8.280 nan 0.000 0.448 304 V N 4.755 124.654 119.914 -0.025 0.000 2.521 304 V HA 0.029 4.149 4.120 0.000 0.000 0.286 304 V C 0.090 176.190 176.094 0.011 0.000 1.034 304 V CA -0.530 61.750 62.300 -0.033 0.000 1.045 304 V CB 0.557 32.337 31.823 -0.071 0.000 0.974 304 V HN 0.508 nan 8.190 nan 0.000 0.480 305 V N 5.224 125.139 119.914 0.002 0.000 2.493 305 V HA 0.403 4.523 4.120 0.000 0.000 0.292 305 V C 1.158 177.252 176.094 0.000 0.000 1.016 305 V CA 1.159 63.464 62.300 0.007 0.000 1.097 305 V CB 0.174 31.999 31.823 0.004 0.000 0.947 305 V HN 1.327 nan 8.190 nan 0.000 0.479 306 G N 3.617 112.418 108.800 0.001 0.000 2.414 306 G HA2 0.300 4.260 3.960 0.000 0.000 0.256 306 G HA3 0.300 4.260 3.960 0.000 0.000 0.256 306 G C 0.515 175.397 174.900 -0.030 0.000 1.128 306 G CA -0.140 44.953 45.100 -0.012 0.000 0.944 306 G HN 2.265 nan 8.290 nan 0.000 0.500 307 G N 0.013 108.816 108.800 0.004 0.000 2.819 307 G HA2 0.112 4.072 3.960 0.000 0.000 0.682 307 G HA3 0.112 4.072 3.960 0.000 0.000 0.682 307 G C 0.566 175.461 174.900 -0.009 0.000 1.481 307 G CA 0.307 45.422 45.100 0.025 0.000 0.904 307 G HN 2.010 nan 8.290 nan 0.000 0.563 308 N N 0.380 119.107 118.700 0.045 0.000 2.501 308 N HA 0.254 4.994 4.740 0.000 0.000 0.195 308 N C 0.911 176.409 175.510 -0.020 0.000 1.213 308 N CA 1.088 54.138 53.050 0.001 0.000 0.864 308 N CB -0.005 38.480 38.487 -0.003 0.000 0.999 308 N HN 1.213 nan 8.380 nan 0.000 0.454 309 G N 0.653 109.331 108.800 -0.204 0.000 2.412 309 G HA2 0.469 4.429 3.960 0.000 0.000 0.318 309 G HA3 0.469 4.429 3.960 0.000 0.000 0.318 309 G C -2.813 171.901 174.900 -0.310 0.000 1.146 309 G CA -1.404 43.413 45.100 -0.471 0.000 0.882 309 G HN 0.098 nan 8.290 nan 0.000 0.501 310 P HA 0.186 nan 4.420 nan 0.000 0.276 310 P C -0.222 177.039 177.300 -0.065 0.000 1.235 310 P CA -0.127 62.916 63.100 -0.093 0.000 0.772 310 P CB 1.268 32.986 31.700 0.029 0.000 0.871 311 S N 2.562 118.252 115.700 -0.015 0.000 2.585 311 S HA 0.161 4.632 4.470 0.000 0.000 0.277 311 S C 1.290 175.921 174.600 0.051 0.000 1.241 311 S CA -0.546 57.654 58.200 0.001 0.000 1.041 311 S CB 0.967 64.171 63.200 0.008 0.000 0.987 311 S HN 0.423 nan 8.310 nan 0.000 0.512 312 L N 1.732 122.981 121.223 0.044 0.000 2.109 312 L HA 0.235 4.575 4.340 0.000 0.000 0.207 312 L C 0.653 177.561 176.870 0.064 0.000 1.086 312 L CA 1.677 56.554 54.840 0.061 0.000 0.760 312 L CB -0.050 42.042 42.059 0.055 0.000 0.910 312 L HN 0.756 nan 8.230 nan 0.000 0.437 313 E N -0.265 119.969 120.200 0.056 0.000 2.234 313 E HA 0.473 4.823 4.350 0.000 0.000 0.266 313 E C -0.981 175.659 176.600 0.066 0.000 0.877 313 E CA -0.585 55.850 56.400 0.058 0.000 0.758 313 E CB 1.421 31.149 29.700 0.047 0.000 1.170 313 E HN 0.300 nan 8.360 nan 0.000 0.415 314 I N -0.474 120.147 120.570 0.084 0.000 3.170 314 I HA 0.599 4.769 4.170 0.000 0.000 0.312 314 I C -0.669 175.513 176.117 0.108 0.000 1.085 314 I CA -0.986 60.380 61.300 0.109 0.000 0.999 314 I CB 1.940 40.040 38.000 0.167 0.000 1.233 314 I HN 0.238 nan 8.210 nan 0.000 0.467 315 D N 2.678 123.157 120.400 0.132 0.000 2.280 315 D HA 0.311 4.951 4.640 0.000 0.000 0.243 315 D C 0.247 176.666 176.300 0.199 0.000 1.129 315 D CA 0.194 54.269 54.000 0.126 0.000 0.848 315 D CB 1.798 42.657 40.800 0.100 0.000 1.107 315 D HN 0.853 nan 8.370 nan 0.000 0.471 316 G N 3.231 112.099 108.800 0.113 0.000 2.690 316 G HA2 0.168 4.128 3.960 0.000 0.000 0.239 316 G HA3 0.168 4.128 3.960 0.000 0.000 0.239 316 G C -2.154 172.835 174.900 0.148 0.000 1.233 316 G CA -0.676 44.458 45.100 0.057 0.000 0.847 316 G HN 0.284 nan 8.290 nan 0.000 0.588 317 P HA 0.144 nan 4.420 nan 0.000 0.272 317 P C -0.075 177.243 177.300 0.030 0.000 1.223 317 P CA -0.362 62.837 63.100 0.165 0.000 0.784 317 P CB 0.913 32.619 31.700 0.011 0.000 0.923 318 S N 0.461 116.175 115.700 0.024 0.000 3.944 318 S HA 0.251 4.721 4.470 0.000 0.000 0.215 318 S C 0.590 175.163 174.600 -0.045 0.000 1.220 318 S CA -0.317 57.876 58.200 -0.012 0.000 0.950 318 S CB -1.417 61.778 63.200 -0.009 0.000 1.615 318 S HN 0.373 nan 8.310 nan 0.000 0.466 319 V N -0.558 119.332 119.914 -0.040 0.000 3.181 319 V HA 0.585 4.705 4.120 0.000 0.000 0.308 319 V C -0.564 175.507 176.094 -0.039 0.000 1.214 319 V CA -1.569 60.716 62.300 -0.026 0.000 1.053 319 V CB 1.489 33.315 31.823 0.005 0.000 1.069 319 V HN 0.340 nan 8.190 nan 0.000 0.441 320 E N 0.913 121.091 120.200 -0.036 0.000 2.373 320 E HA 0.226 4.576 4.350 0.000 0.000 0.267 320 E C -0.310 176.227 176.600 -0.105 0.000 1.032 320 E CA -0.163 56.201 56.400 -0.061 0.000 0.889 320 E CB 1.031 30.699 29.700 -0.054 0.000 0.984 320 E HN 0.737 nan 8.360 nan 0.000 0.425 321 E N 2.128 122.254 120.200 -0.123 0.000 2.344 321 E HA 0.100 4.451 4.350 0.000 0.000 0.270 321 E C -1.207 175.246 176.600 -0.244 0.000 1.021 321 E CA -0.218 56.075 56.400 -0.177 0.000 0.887 321 E CB 0.794 30.404 29.700 -0.150 0.000 0.997 321 E HN 0.137 nan 8.360 nan 0.000 0.429 322 V N 4.972 124.666 119.914 -0.366 0.000 2.349 322 V HA 0.134 4.254 4.120 0.000 0.000 0.284 322 V C 0.079 175.648 176.094 -0.875 0.000 1.014 322 V CA -0.629 61.330 62.300 -0.569 0.000 0.826 322 V CB 1.148 32.603 31.823 -0.614 0.000 1.009 322 V HN 0.710 nan 8.190 nan 0.000 0.431 323 S N 3.654 118.942 115.700 -0.687 0.000 2.646 323 S HA 0.723 5.193 4.470 0.000 0.000 0.276 323 S C -0.972 173.210 174.600 -0.697 0.000 1.222 323 S CA -0.625 57.194 58.200 -0.636 0.000 1.014 323 S CB 1.198 64.234 63.200 -0.272 0.000 0.991 323 S HN 0.539 nan 8.310 nan 0.000 0.533 324 W N 0.509 121.808 121.300 -0.001 0.000 2.706 324 W HA 0.466 5.127 4.660 0.000 0.000 0.346 324 W C 0.179 176.719 176.519 0.035 0.000 1.071 324 W CA -1.013 56.349 57.345 0.028 0.000 1.206 324 W CB 0.950 30.447 29.460 0.061 0.000 1.413 324 W HN 0.874 nan 8.180 nan 0.000 0.542 325 E N 1.483 121.857 120.200 0.289 0.000 2.404 325 E HA 0.127 4.477 4.350 0.000 0.000 0.261 325 E C -0.251 176.451 176.600 0.170 0.000 1.074 325 E CA -0.687 55.812 56.400 0.165 0.000 0.917 325 E CB 0.987 30.760 29.700 0.121 0.000 0.965 325 E HN 0.280 nan 8.360 nan 0.000 0.433 326 K N 1.540 121.996 120.400 0.094 0.000 2.447 326 K HA -0.058 4.262 4.320 0.000 0.000 0.281 326 K C -0.121 176.536 176.600 0.096 0.000 1.031 326 K CA 0.128 56.453 56.287 0.063 0.000 1.019 326 K CB 0.386 32.841 32.500 -0.075 0.000 0.918 326 K HN 0.635 nan 8.250 nan 0.000 0.476 327 D N 3.671 124.209 120.400 0.229 0.000 2.358 327 D HA -0.019 4.622 4.640 0.000 0.000 0.224 327 D C -0.464 176.064 176.300 0.381 0.000 1.123 327 D CA -0.025 54.142 54.000 0.278 0.000 0.833 327 D CB -0.310 40.712 40.800 0.370 0.000 0.946 327 D HN 0.459 nan 8.370 nan 0.000 0.505 328 Y N -2.199 118.206 120.300 0.174 0.000 2.609 328 Y HA 0.548 5.098 4.550 0.000 0.000 0.336 328 Y C -1.351 174.599 175.900 0.082 0.000 1.129 328 Y CA -1.505 56.675 58.100 0.134 0.000 1.040 328 Y CB 0.835 39.412 38.460 0.195 0.000 1.310 328 Y HN -0.366 nan 8.280 nan 0.000 0.460 329 D N 2.544 123.002 120.400 0.096 0.000 2.256 329 D HA 0.063 4.703 4.640 0.000 0.000 0.250 329 D C 0.829 177.162 176.300 0.055 0.000 1.093 329 D CA -0.038 53.957 54.000 -0.009 0.000 0.882 329 D CB 1.954 42.776 40.800 0.036 0.000 1.185 329 D HN 0.957 nan 8.370 nan 0.000 0.437 330 E N 2.562 122.719 120.200 -0.072 0.000 2.065 330 E HA -0.237 4.113 4.350 0.000 0.000 0.201 330 E C 0.249 176.895 176.600 0.078 0.000 1.016 330 E CA 1.207 57.622 56.400 0.026 0.000 0.818 330 E CB 0.250 29.914 29.700 -0.060 0.000 0.749 330 E HN 0.215 nan 8.360 nan 0.000 0.453 331 K N 1.427 121.829 120.400 0.003 0.000 2.357 331 K HA 0.045 4.365 4.320 0.000 0.000 0.251 331 K C -1.257 175.340 176.600 -0.005 0.000 1.069 331 K CA -0.461 55.808 56.287 -0.031 0.000 0.994 331 K CB 0.828 33.224 32.500 -0.173 0.000 1.411 331 K HN -0.060 nan 8.250 nan 0.000 0.450 332 D N 3.321 123.757 120.400 0.060 0.000 2.344 332 D HA 0.002 4.642 4.640 0.000 0.000 0.253 332 D C -0.212 175.954 176.300 -0.223 0.000 1.255 332 D CA 0.136 54.124 54.000 -0.021 0.000 0.894 332 D CB 1.077 41.922 40.800 0.074 0.000 1.067 332 D HN 0.531 nan 8.370 nan 0.000 0.492 333 D N 2.601 122.933 120.400 -0.113 0.000 2.328 333 D HA 0.021 4.661 4.640 0.000 0.000 0.226 333 D C -0.075 176.245 176.300 0.032 0.000 1.066 333 D CA -0.041 53.926 54.000 -0.055 0.000 0.861 333 D CB -0.286 40.521 40.800 0.012 0.000 0.912 333 D HN 0.349 nan 8.370 nan 0.000 0.521 334 F N -0.087 119.965 119.950 0.170 0.000 2.983 334 F HA -0.230 4.297 4.527 0.000 0.000 0.288 334 F C 0.840 176.700 175.800 0.099 0.000 0.980 334 F CA -0.023 58.059 58.000 0.136 0.000 0.965 334 F CB -1.752 37.319 39.000 0.117 0.000 0.967 334 F HN 0.158 nan 8.300 nan 0.000 0.800 335 D N -0.405 120.125 120.400 0.216 0.000 2.277 335 D HA 0.103 4.744 4.640 0.000 0.000 0.209 335 D C 1.889 178.267 176.300 0.131 0.000 0.970 335 D CA 1.154 55.243 54.000 0.147 0.000 0.874 335 D CB -0.023 40.835 40.800 0.098 0.000 0.982 335 D HN 0.466 nan 8.370 nan 0.000 0.504 336 G N 1.376 110.258 108.800 0.138 0.000 2.684 336 G HA2 0.046 4.006 3.960 0.000 0.000 0.255 336 G HA3 0.046 4.006 3.960 0.000 0.000 0.255 336 G C 0.520 175.480 174.900 0.101 0.000 1.219 336 G CA -0.065 45.098 45.100 0.104 0.000 0.901 336 G HN 0.062 nan 8.290 nan 0.000 0.548 337 D N -1.880 118.562 120.400 0.071 0.000 2.342 337 D HA 0.110 4.750 4.640 0.000 0.000 0.221 337 D C 0.452 176.785 176.300 0.055 0.000 1.101 337 D CA 0.025 54.061 54.000 0.060 0.000 0.837 337 D CB 0.313 41.138 40.800 0.043 0.000 0.938 337 D HN 0.116 nan 8.370 nan 0.000 0.508 338 T N 0.366 114.962 114.554 0.069 0.000 2.912 338 T HA 0.405 4.755 4.350 0.000 0.000 0.299 338 T C -0.246 174.524 174.700 0.117 0.000 1.052 338 T CA -0.668 61.473 62.100 0.067 0.000 0.996 338 T CB 1.807 70.700 68.868 0.041 0.000 1.070 338 T HN -0.009 nan 8.240 nan 0.000 0.465 339 L N 3.342 124.641 121.223 0.128 0.000 2.416 339 L HA 0.273 4.613 4.340 0.000 0.000 0.272 339 L C 1.319 178.350 176.870 0.269 0.000 1.161 339 L CA -0.517 54.468 54.840 0.241 0.000 0.845 339 L CB 0.312 42.476 42.059 0.175 0.000 1.119 339 L HN 0.620 nan 8.230 nan 0.000 0.464 340 N N 2.313 121.241 118.700 0.380 0.000 2.356 340 N HA -0.122 4.618 4.740 0.000 0.000 0.252 340 N C 1.113 176.712 175.510 0.149 0.000 1.241 340 N CA 0.098 53.260 53.050 0.186 0.000 0.861 340 N CB 0.545 39.122 38.487 0.150 0.000 1.075 340 N HN 0.733 nan 8.380 nan 0.000 0.461 341 H N 1.967 120.961 119.070 -0.126 0.000 2.561 341 H HA -0.015 4.541 4.556 0.000 0.000 0.278 341 H C 0.449 175.574 175.328 -0.338 0.000 1.014 341 H CA 0.403 56.320 56.048 -0.218 0.000 1.211 341 H CB -0.000 29.595 29.762 -0.278 0.000 1.365 341 H HN 0.582 nan 8.280 nan 0.000 0.594 342 H N 0.333 119.367 119.070 -0.059 0.000 2.535 342 H HA 0.024 4.580 4.556 0.000 0.000 0.273 342 H C -0.132 174.988 175.328 -0.347 0.000 0.983 342 H CA 0.069 55.909 56.048 -0.346 0.000 1.238 342 H CB -0.051 29.383 29.762 -0.548 0.000 1.412 342 H HN 0.264 nan 8.280 nan 0.000 0.562 343 F N 1.975 121.913 119.950 -0.020 0.000 2.427 343 F HA 0.238 4.765 4.527 0.000 0.000 0.352 343 F C 0.806 176.578 175.800 -0.046 0.000 1.100 343 F CA -0.096 57.856 58.000 -0.081 0.000 1.191 343 F CB 0.814 39.767 39.000 -0.078 0.000 1.128 343 F HN -0.060 nan 8.300 nan 0.000 0.533 344 Q N 0.644 120.545 119.800 0.169 0.000 2.496 344 Q HA 0.614 4.954 4.340 0.000 0.000 0.286 344 Q C -0.563 175.556 176.000 0.198 0.000 1.103 344 Q CA -1.095 54.819 55.803 0.186 0.000 0.813 344 Q CB 2.671 31.552 28.738 0.237 0.000 1.444 344 Q HN 0.707 nan 8.270 nan 0.000 0.443 345 T N -2.337 112.369 114.554 0.252 0.000 2.942 345 T HA 0.616 4.966 4.350 0.000 0.000 0.289 345 T C -0.293 174.434 174.700 0.046 0.000 1.044 345 T CA -0.862 61.304 62.100 0.109 0.000 1.023 345 T CB 0.612 69.504 68.868 0.040 0.000 1.123 345 T HN 0.376 nan 8.240 nan 0.000 0.512 346 L N 2.554 123.652 121.223 -0.208 0.000 2.315 346 L HA 0.412 4.752 4.340 0.000 0.000 0.283 346 L C 1.386 178.117 176.870 -0.231 0.000 1.089 346 L CA -0.331 54.251 54.840 -0.430 0.000 0.833 346 L CB 0.190 41.973 42.059 -0.461 0.000 1.170 346 L HN 0.881 nan 8.230 nan 0.000 0.442 347 R N 1.425 121.824 120.500 -0.167 0.000 2.991 347 R HA -0.260 4.081 4.340 0.000 0.000 0.236 347 R C 0.066 176.281 176.300 -0.142 0.000 0.788 347 R CA 2.138 58.179 56.100 -0.099 0.000 1.764 347 R CB -1.273 28.924 30.300 -0.171 0.000 1.289 347 R HN 0.715 nan 8.270 nan 0.000 0.583 348 I N -1.396 118.997 120.570 -0.294 0.000 2.785 348 I HA 0.626 4.796 4.170 0.000 0.000 0.302 348 I C -2.655 173.025 176.117 -0.729 0.000 1.069 348 I CA -2.877 58.065 61.300 -0.596 0.000 1.045 348 I CB 2.417 40.215 38.000 -0.337 0.000 1.236 348 I HN -0.232 nan 8.210 nan 0.000 0.429 349 P HA 0.233 nan 4.420 nan 0.000 0.271 349 P C -1.085 176.072 177.300 -0.238 0.000 1.218 349 P CA -0.038 62.776 63.100 -0.477 0.000 0.780 349 P CB 1.040 32.523 31.700 -0.362 0.000 0.901 350 L N 2.463 123.616 121.223 -0.116 0.000 2.272 350 L HA 0.450 4.790 4.340 0.000 0.000 0.289 350 L C 1.419 178.253 176.870 -0.060 0.000 1.032 350 L CA -0.568 54.219 54.840 -0.088 0.000 0.810 350 L CB 1.189 43.205 42.059 -0.073 0.000 1.205 350 L HN 0.450 nan 8.230 nan 0.000 0.422 351 G N 1.537 110.301 108.800 -0.061 0.000 2.653 351 G HA2 0.103 4.063 3.960 0.000 0.000 0.265 351 G HA3 0.103 4.063 3.960 0.000 0.000 0.265 351 G C 0.596 175.477 174.900 -0.031 0.000 1.237 351 G CA -0.373 44.700 45.100 -0.046 0.000 0.946 351 G HN 0.720 nan 8.290 nan 0.000 0.522 352 E N 0.205 120.389 120.200 -0.027 0.000 2.418 352 E HA -0.113 4.237 4.350 0.000 0.000 0.197 352 E C 1.695 178.282 176.600 -0.021 0.000 1.026 352 E CA 0.939 57.332 56.400 -0.011 0.000 0.862 352 E CB 0.105 29.796 29.700 -0.015 0.000 0.799 352 E HN 0.672 nan 8.360 nan 0.000 0.518 353 D N 0.293 120.649 120.400 -0.074 0.000 2.312 353 D HA -0.108 4.532 4.640 0.000 0.000 0.211 353 D C 1.713 177.950 176.300 -0.105 0.000 0.964 353 D CA 0.611 54.509 54.000 -0.170 0.000 0.877 353 D CB -0.076 40.626 40.800 -0.162 0.000 0.924 353 D HN 0.294 nan 8.370 nan 0.000 0.515 354 I N -0.368 120.221 120.570 0.032 0.000 3.673 354 I HA 0.249 4.419 4.170 0.000 0.000 0.281 354 I C 0.680 176.885 176.117 0.147 0.000 1.182 354 I CA 0.058 61.425 61.300 0.111 0.000 1.391 354 I CB 0.400 38.407 38.000 0.011 0.000 1.383 354 I HN -0.043 nan 8.210 nan 0.000 0.456 355 A N 0.621 123.474 122.820 0.055 0.000 2.353 355 A HA 0.708 5.028 4.320 0.000 0.000 0.299 355 A C -0.537 177.038 177.584 -0.014 0.000 1.089 355 A CA -0.244 51.784 52.037 -0.014 0.000 0.736 355 A CB 1.356 20.305 19.000 -0.086 0.000 1.195 355 A HN 0.064 nan 8.150 nan 0.000 0.447 356 T N 2.078 116.616 114.554 -0.026 0.000 2.956 356 T HA 0.502 4.852 4.350 0.000 0.000 0.312 356 T C 0.042 174.713 174.700 -0.048 0.000 1.151 356 T CA -0.419 61.672 62.100 -0.015 0.000 1.024 356 T CB 0.711 69.608 68.868 0.047 0.000 1.140 356 T HN 0.449 nan 8.240 nan 0.000 0.473 357 L N 3.428 124.634 121.223 -0.028 0.000 2.607 357 L HA 0.369 4.709 4.340 0.000 0.000 0.228 357 L C 2.172 179.062 176.870 0.033 0.000 1.123 357 L CA 0.094 54.933 54.840 -0.001 0.000 0.890 357 L CB 0.005 42.078 42.059 0.022 0.000 1.103 357 L HN 0.546 nan 8.230 nan 0.000 0.468 358 K N 0.244 120.657 120.400 0.021 0.000 2.356 358 K HA 0.177 4.497 4.320 0.000 0.000 0.195 358 K C 2.080 178.689 176.600 0.015 0.000 1.037 358 K CA 0.727 57.029 56.287 0.024 0.000 1.014 358 K CB 0.291 32.801 32.500 0.017 0.000 0.815 358 K HN 0.219 nan 8.250 nan 0.000 0.507 359 A N 1.583 124.403 122.820 0.000 0.000 1.930 359 A HA -0.029 4.291 4.320 0.000 0.000 0.215 359 A C 1.111 178.666 177.584 -0.048 0.000 1.176 359 A CA 0.727 52.745 52.037 -0.032 0.000 0.632 359 A CB 0.061 19.022 19.000 -0.065 0.000 0.819 359 A HN 0.119 nan 8.150 nan 0.000 0.445 360 R N 0.080 120.565 120.500 -0.024 0.000 2.500 360 R HA 0.372 4.713 4.340 0.000 0.000 0.299 360 R C -3.236 173.143 176.300 0.130 0.000 1.038 360 R CA -2.135 53.960 56.100 -0.009 0.000 0.903 360 R CB 1.528 31.747 30.300 -0.137 0.000 1.177 360 R HN 0.020 nan 8.270 nan 0.000 0.455 361 P HA 0.042 nan 4.420 nan 0.000 0.264 361 P C 0.336 177.838 177.300 0.337 0.000 1.183 361 P CA 0.953 64.170 63.100 0.194 0.000 0.763 361 P CB 0.789 32.575 31.700 0.142 0.000 0.807 362 G N 0.975 109.924 108.800 0.249 0.000 2.168 362 G HA2 -0.237 3.723 3.960 0.000 0.000 0.257 362 G HA3 -0.237 3.723 3.960 0.000 0.000 0.257 362 G C -0.215 174.763 174.900 0.131 0.000 0.997 362 G CA 0.160 45.381 45.100 0.201 0.000 0.708 362 G HN 0.704 nan 8.290 nan 0.000 0.520 363 H N -1.872 117.323 119.070 0.208 0.000 2.717 363 H HA 0.594 5.150 4.556 0.000 0.000 0.366 363 H C -0.259 175.058 175.328 -0.019 0.000 1.132 363 H CA -0.920 55.244 56.048 0.194 0.000 1.180 363 H CB 1.688 31.542 29.762 0.153 0.000 1.678 363 H HN 0.252 nan 8.280 nan 0.000 0.537 364 L N 2.533 123.641 121.223 -0.191 0.000 2.278 364 L HA 0.343 4.683 4.340 0.000 0.000 0.287 364 L C 0.052 176.891 176.870 -0.052 0.000 1.072 364 L CA -0.074 54.516 54.840 -0.416 0.000 0.819 364 L CB 0.189 41.578 42.059 -1.116 0.000 1.176 364 L HN 0.592 nan 8.230 nan 0.000 0.435 365 R N 5.517 125.968 120.500 -0.081 0.000 2.312 365 R HA 0.585 4.925 4.340 0.000 0.000 0.311 365 R C -1.529 174.687 176.300 -0.140 0.000 1.004 365 R CA -0.557 55.473 56.100 -0.118 0.000 0.902 365 R CB 0.663 30.782 30.300 -0.302 0.000 1.073 365 R HN 0.777 nan 8.270 nan 0.000 0.457 366 L N 5.732 126.915 121.223 -0.068 0.000 2.319 366 L HA 0.367 4.707 4.340 0.000 0.000 0.281 366 L C -1.028 175.790 176.870 -0.086 0.000 1.005 366 L CA -0.946 53.867 54.840 -0.045 0.000 0.828 366 L CB 1.293 43.380 42.059 0.047 0.000 1.227 366 L HN 0.643 nan 8.230 nan 0.000 0.415 367 Y N 1.559 121.887 120.300 0.047 0.000 2.393 367 Y HA 0.266 4.816 4.550 0.000 0.000 0.338 367 Y C 1.314 177.228 175.900 0.024 0.000 1.029 367 Y CA -0.093 58.055 58.100 0.080 0.000 1.239 367 Y CB 1.116 39.597 38.460 0.035 0.000 1.170 367 Y HN 0.618 nan 8.280 nan 0.000 0.515 368 G N 4.880 113.777 108.800 0.162 0.000 2.305 368 G HA2 0.232 4.192 3.960 0.000 0.000 0.243 368 G HA3 0.232 4.192 3.960 0.000 0.000 0.243 368 G C 0.363 175.291 174.900 0.046 0.000 1.288 368 G CA -0.454 44.681 45.100 0.058 0.000 0.901 368 G HN 0.526 nan 8.290 nan 0.000 0.516 369 R N 1.543 122.034 120.500 -0.015 0.000 2.845 369 R HA 0.335 4.675 4.340 0.000 0.000 0.112 369 R C 0.450 176.760 176.300 0.016 0.000 1.012 369 R CA -0.615 55.484 56.100 -0.002 0.000 0.744 369 R CB -0.288 30.001 30.300 -0.018 0.000 0.926 369 R HN 0.669 nan 8.270 nan 0.000 0.376 370 E N 1.029 121.245 120.200 0.026 0.000 2.385 370 E HA 0.164 4.514 4.350 0.000 0.000 0.254 370 E C -0.013 176.645 176.600 0.097 0.000 1.228 370 E CA -0.353 56.083 56.400 0.059 0.000 0.956 370 E CB 0.488 30.229 29.700 0.068 0.000 1.116 370 E HN 0.468 nan 8.360 nan 0.000 0.507 371 S N -0.203 115.549 115.700 0.086 0.000 2.596 371 S HA 0.042 4.512 4.470 0.000 0.000 0.260 371 S C 1.061 175.643 174.600 -0.029 0.000 1.336 371 S CA -0.459 57.769 58.200 0.046 0.000 0.993 371 S CB 0.303 63.543 63.200 0.066 0.000 0.923 371 S HN 0.496 nan 8.310 nan 0.000 0.567 372 L N 0.834 121.875 121.223 -0.303 0.000 2.450 372 L HA -0.036 4.304 4.340 0.000 0.000 0.224 372 L C 2.565 179.411 176.870 -0.040 0.000 1.149 372 L CA 1.316 55.848 54.840 -0.513 0.000 0.816 372 L CB -0.859 40.330 42.059 -1.449 0.000 0.932 372 L HN 1.034 nan 8.230 nan 0.000 0.449 373 T N -5.347 109.287 114.554 0.133 0.000 3.107 373 T HA 0.039 4.389 4.350 0.000 0.000 0.249 373 T C 0.853 175.653 174.700 0.167 0.000 1.096 373 T CA -0.127 62.111 62.100 0.231 0.000 1.012 373 T CB 0.112 69.131 68.868 0.251 0.000 0.977 373 T HN 0.093 nan 8.240 nan 0.000 0.527 374 S N 0.873 116.657 115.700 0.140 0.000 2.513 374 S HA 0.357 4.827 4.470 0.000 0.000 0.276 374 S C 0.794 175.459 174.600 0.109 0.000 1.254 374 S CA -0.860 57.451 58.200 0.184 0.000 1.053 374 S CB 0.528 63.844 63.200 0.193 0.000 0.958 374 S HN 0.460 nan 8.310 nan 0.000 0.491 375 R N 3.266 123.798 120.500 0.054 0.000 2.423 375 R HA 0.197 4.537 4.340 0.000 0.000 0.248 375 R C -0.245 175.679 176.300 -0.626 0.000 1.019 375 R CA 0.264 56.189 56.100 -0.292 0.000 1.119 375 R CB 0.032 30.093 30.300 -0.399 0.000 1.176 375 R HN 0.601 nan 8.270 nan 0.000 0.526 376 F N -1.163 118.770 119.950 -0.028 0.000 2.171 376 F HA 0.219 4.746 4.527 0.000 0.000 0.220 376 F C 0.845 176.610 175.800 -0.058 0.000 1.118 376 F CA -0.078 57.898 58.000 -0.039 0.000 1.229 376 F CB 0.216 39.200 39.000 -0.026 0.000 1.616 376 F HN -0.363 nan 8.300 nan 0.000 0.477 377 T N 2.273 116.924 114.554 0.162 0.000 2.912 377 T HA 0.375 4.725 4.350 0.000 0.000 0.326 377 T C -0.810 173.901 174.700 0.018 0.000 1.080 377 T CA -0.525 61.602 62.100 0.044 0.000 1.000 377 T CB 0.711 69.598 68.868 0.032 0.000 1.008 377 T HN 0.090 nan 8.240 nan 0.000 0.473 378 Q N 1.672 121.462 119.800 -0.018 0.000 2.331 378 Q HA 0.608 4.948 4.340 0.000 0.000 0.267 378 Q C -0.462 175.481 176.000 -0.095 0.000 1.006 378 Q CA -0.894 54.886 55.803 -0.039 0.000 0.818 378 Q CB 2.294 31.040 28.738 0.013 0.000 1.276 378 Q HN 0.730 nan 8.270 nan 0.000 0.450 379 A N 3.604 126.299 122.820 -0.209 0.000 2.915 379 A HA 0.351 4.671 4.320 0.000 0.000 0.292 379 A C -1.103 176.323 177.584 -0.262 0.000 1.632 379 A CA 0.152 52.064 52.037 -0.207 0.000 1.337 379 A CB -0.542 18.347 19.000 -0.184 0.000 1.111 379 A HN 0.498 nan 8.150 nan 0.000 0.569 380 F N 2.213 121.970 119.950 -0.322 0.000 2.588 380 F HA 0.537 5.064 4.527 0.000 0.000 0.318 380 F C -1.322 174.364 175.800 -0.190 0.000 1.155 380 F CA -1.347 56.499 58.000 -0.257 0.000 0.967 380 F CB 1.991 40.888 39.000 -0.170 0.000 1.236 380 F HN 0.087 nan 8.300 nan 0.000 0.455 381 V N 5.472 125.127 119.914 -0.431 0.000 2.443 381 V HA 0.913 5.033 4.120 0.000 0.000 0.293 381 V C -0.524 175.190 176.094 -0.634 0.000 1.021 381 V CA -0.380 61.607 62.300 -0.521 0.000 0.848 381 V CB 1.108 32.578 31.823 -0.590 0.000 0.998 381 V HN 1.055 nan 8.190 nan 0.000 0.424 382 A N 5.510 128.065 122.820 -0.442 0.000 2.556 382 A HA 1.037 5.357 4.320 0.000 0.000 0.294 382 A C -0.728 176.894 177.584 0.063 0.000 1.091 382 A CA -0.948 50.919 52.037 -0.283 0.000 0.704 382 A CB 2.158 20.819 19.000 -0.566 0.000 1.300 382 A HN 0.964 nan 8.150 nan 0.000 0.406 383 R N 0.319 120.844 120.500 0.042 0.000 2.854 383 R HA 0.756 5.096 4.340 0.000 0.000 0.271 383 R C -0.781 175.206 176.300 -0.522 0.000 0.994 383 R CA -0.929 55.036 56.100 -0.225 0.000 0.945 383 R CB 1.242 31.264 30.300 -0.463 0.000 1.194 383 R HN 0.617 nan 8.270 nan 0.000 0.476 384 R N 0.831 120.752 120.500 -0.966 0.000 2.623 384 R HA 0.034 4.375 4.340 0.000 0.000 0.271 384 R C -0.591 175.374 176.300 -0.558 0.000 1.043 384 R CA -0.064 55.366 56.100 -1.116 0.000 1.083 384 R CB 0.336 30.078 30.300 -0.930 0.000 0.974 384 R HN 0.466 nan 8.270 nan 0.000 0.436 385 W N 2.500 123.462 121.300 -0.563 0.000 2.322 385 W HA 0.031 4.691 4.660 0.000 0.000 0.328 385 W C 0.819 177.095 176.519 -0.406 0.000 1.395 385 W CA 0.105 57.218 57.345 -0.385 0.000 1.267 385 W CB 0.232 29.659 29.460 -0.055 0.000 1.259 385 W HN 0.578 nan 8.180 nan 0.000 0.560 386 Q N 1.780 121.456 119.800 -0.206 0.000 2.164 386 Q HA 0.103 4.443 4.340 0.000 0.000 0.226 386 Q C -0.667 174.921 176.000 -0.686 0.000 0.813 386 Q CA 0.147 55.709 55.803 -0.401 0.000 0.978 386 Q CB 0.751 29.199 28.738 -0.484 0.000 1.149 386 Q HN 0.537 nan 8.270 nan 0.000 0.489 387 H N -2.556 116.513 119.070 -0.003 0.000 3.012 387 H HA 0.197 4.753 4.556 0.000 0.000 0.367 387 H C -0.443 174.945 175.328 0.100 0.000 1.211 387 H CA -0.706 55.367 56.048 0.041 0.000 1.139 387 H CB 0.805 30.652 29.762 0.143 0.000 1.838 387 H HN -0.134 nan 8.280 nan 0.000 0.550 388 F N -0.222 119.931 119.950 0.337 0.000 2.367 388 F HA 0.004 4.532 4.527 0.000 0.000 0.298 388 F C 0.779 176.474 175.800 -0.176 0.000 1.094 388 F CA 0.872 58.939 58.000 0.112 0.000 1.409 388 F CB 0.279 39.309 39.000 0.049 0.000 1.064 388 F HN 0.361 nan 8.300 nan 0.000 0.528 389 H N -0.299 118.941 119.070 0.283 0.000 2.646 389 H HA 0.419 4.975 4.556 0.000 0.000 0.328 389 H C -0.916 174.433 175.328 0.035 0.000 0.998 389 H CA -0.651 55.432 56.048 0.058 0.000 1.225 389 H CB 0.966 30.758 29.762 0.050 0.000 1.457 389 H HN 0.032 nan 8.280 nan 0.000 0.505 390 F N 0.512 120.367 119.950 -0.158 0.000 2.713 390 F HA 0.537 5.064 4.527 0.000 0.000 0.311 390 F C -2.067 173.534 175.800 -0.332 0.000 1.141 390 F CA -1.145 56.659 58.000 -0.326 0.000 0.939 390 F CB 1.107 39.793 39.000 -0.523 0.000 1.325 390 F HN 0.200 nan 8.300 nan 0.000 0.453 391 V N 1.813 121.668 119.914 -0.099 0.000 2.540 391 V HA 0.935 5.055 4.120 0.000 0.000 0.302 391 V C -0.944 175.147 176.094 -0.005 0.000 1.035 391 V CA -0.147 62.075 62.300 -0.130 0.000 0.873 391 V CB 1.171 32.888 31.823 -0.175 0.000 0.992 391 V HN 1.478 nan 8.190 nan 0.000 0.428 392 A N 5.186 128.033 122.820 0.045 0.000 2.401 392 A HA 0.927 5.247 4.320 0.000 0.000 0.310 392 A C -0.794 176.776 177.584 -0.023 0.000 1.075 392 A CA -0.601 51.447 52.037 0.019 0.000 0.746 392 A CB 1.830 20.971 19.000 0.234 0.000 1.277 392 A HN 0.913 nan 8.150 nan 0.000 0.425 393 E N 0.186 120.304 120.200 -0.137 0.000 2.352 393 E HA 0.600 4.951 4.350 0.000 0.000 0.280 393 E C -1.426 175.220 176.600 0.077 0.000 0.930 393 E CA -0.325 56.127 56.400 0.087 0.000 0.765 393 E CB 2.233 32.050 29.700 0.195 0.000 1.219 393 E HN 0.680 nan 8.360 nan 0.000 0.434 394 T N 1.951 116.632 114.554 0.212 0.000 2.883 394 T HA 0.473 4.823 4.350 0.000 0.000 0.296 394 T C -1.772 172.886 174.700 -0.070 0.000 1.117 394 T CA -0.712 61.447 62.100 0.097 0.000 1.006 394 T CB 1.440 70.575 68.868 0.445 0.000 1.191 394 T HN 0.373 nan 8.240 nan 0.000 0.508 395 K N 2.694 122.851 120.400 -0.405 0.000 2.463 395 K HA 0.722 5.042 4.320 0.000 0.000 0.255 395 K C -1.923 174.578 176.600 -0.164 0.000 0.942 395 K CA -0.681 55.287 56.287 -0.532 0.000 0.814 395 K CB 1.797 33.658 32.500 -1.065 0.000 1.122 395 K HN 0.414 nan 8.250 nan 0.000 0.425 396 V N 2.507 122.404 119.914 -0.028 0.000 2.760 396 V HA 0.483 4.603 4.120 0.000 0.000 0.309 396 V C -1.446 174.665 176.094 0.027 0.000 1.077 396 V CA -0.429 61.826 62.300 -0.075 0.000 0.910 396 V CB 2.172 33.730 31.823 -0.442 0.000 1.008 396 V HN 0.849 nan 8.190 nan 0.000 0.424 397 S N 6.316 121.973 115.700 -0.072 0.000 2.433 397 S HA 0.803 5.273 4.470 0.000 0.000 0.310 397 S C -1.325 173.234 174.600 -0.069 0.000 1.097 397 S CA -0.369 57.709 58.200 -0.203 0.000 1.103 397 S CB 0.617 63.579 63.200 -0.396 0.000 0.992 397 S HN 0.853 nan 8.310 nan 0.000 0.469 398 F N 4.905 124.705 119.950 -0.251 0.000 2.622 398 F HA 0.536 5.063 4.527 0.000 0.000 0.318 398 F C -1.071 174.614 175.800 -0.191 0.000 1.135 398 F CA -0.758 57.100 58.000 -0.236 0.000 1.015 398 F CB 1.407 40.292 39.000 -0.192 0.000 1.275 398 F HN 0.510 nan 8.300 nan 0.000 0.457 399 R N 6.063 126.107 120.500 -0.759 0.000 2.494 399 R HA 0.338 4.678 4.340 0.000 0.000 0.284 399 R C -2.914 172.883 176.300 -0.838 0.000 1.525 399 R CA -1.738 53.980 56.100 -0.636 0.000 1.460 399 R CB 0.999 31.059 30.300 -0.399 0.000 1.134 399 R HN 0.324 nan 8.270 nan 0.000 0.592 400 P HA 0.104 nan 4.420 nan 0.000 0.275 400 P C 0.612 177.662 177.300 -0.417 0.000 1.227 400 P CA -0.040 62.659 63.100 -0.668 0.000 0.781 400 P CB 1.067 32.541 31.700 -0.376 0.000 0.906 401 T N -1.904 112.340 114.554 -0.517 0.000 3.054 401 T HA 0.200 4.550 4.350 0.000 0.000 0.255 401 T C 0.502 174.445 174.700 -1.262 0.000 1.035 401 T CA 0.063 61.698 62.100 -0.775 0.000 0.941 401 T CB -0.157 68.391 68.868 -0.534 0.000 1.026 401 T HN 0.562 nan 8.240 nan 0.000 0.533 402 T N 0.303 114.361 114.554 -0.828 0.000 2.840 402 T HA 0.457 4.807 4.350 0.000 0.000 0.317 402 T C -0.243 174.389 174.700 -0.113 0.000 1.401 402 T CA -0.801 60.862 62.100 -0.728 0.000 1.028 402 T CB 0.733 69.165 68.868 -0.727 0.000 1.317 402 T HN 0.086 nan 8.240 nan 0.000 0.495 403 F N 1.164 121.302 119.950 0.313 0.000 2.546 403 F HA 0.210 4.737 4.527 0.000 0.000 0.298 403 F C 2.010 177.909 175.800 0.165 0.000 1.120 403 F CA 0.339 58.507 58.000 0.280 0.000 1.456 403 F CB -0.801 38.353 39.000 0.257 0.000 1.088 403 F HN 0.544 nan 8.300 nan 0.000 0.572 404 Q N 0.525 120.273 119.800 -0.087 0.000 2.436 404 Q HA 0.007 4.347 4.340 0.000 0.000 0.209 404 Q C 0.112 176.160 176.000 0.079 0.000 0.965 404 Q CA 0.640 56.458 55.803 0.024 0.000 0.910 404 Q CB -0.077 28.589 28.738 -0.120 0.000 0.980 404 Q HN 0.608 nan 8.270 nan 0.000 0.491 405 Q N 0.257 120.120 119.800 0.105 0.000 2.309 405 Q HA 0.411 4.751 4.340 0.000 0.000 0.264 405 Q C -0.842 175.368 176.000 0.349 0.000 1.008 405 Q CA -0.510 55.420 55.803 0.212 0.000 0.853 405 Q CB 2.218 31.063 28.738 0.178 0.000 1.314 405 Q HN 0.045 nan 8.270 nan 0.000 0.448 406 S N -0.074 115.829 115.700 0.338 0.000 2.570 406 S HA 0.921 5.391 4.470 0.000 0.000 0.270 406 S C -1.499 172.985 174.600 -0.194 0.000 1.149 406 S CA -0.864 57.488 58.200 0.254 0.000 0.837 406 S CB 1.923 65.219 63.200 0.161 0.000 1.124 406 S HN 0.713 nan 8.310 nan 0.000 0.465 407 A N 0.267 122.882 122.820 -0.341 0.000 2.520 407 A HA 1.033 5.354 4.320 0.000 0.000 0.298 407 A C 0.007 177.579 177.584 -0.020 0.000 1.051 407 A CA -0.278 51.523 52.037 -0.394 0.000 0.690 407 A CB 1.250 19.619 19.000 -1.051 0.000 1.281 407 A HN 2.139 nan 8.150 nan 0.000 0.402 408 G N -0.539 108.361 108.800 0.167 0.000 2.488 408 G HA2 0.593 4.553 3.960 0.000 0.000 0.301 408 G HA3 0.593 4.553 3.960 0.000 0.000 0.301 408 G C -2.122 172.977 174.900 0.332 0.000 1.339 408 G CA -0.558 44.680 45.100 0.230 0.000 0.803 408 G HN 1.415 nan 8.290 nan 0.000 0.482 409 L N 0.785 122.210 121.223 0.337 0.000 2.275 409 L HA 0.762 5.102 4.340 0.000 0.000 0.288 409 L C -0.454 176.663 176.870 0.411 0.000 1.046 409 L CA -0.600 54.503 54.840 0.439 0.000 0.805 409 L CB 1.419 43.786 42.059 0.515 0.000 1.193 409 L HN 0.361 nan 8.230 nan 0.000 0.426 410 V N 4.823 125.015 119.914 0.463 0.000 2.604 410 V HA 0.531 4.651 4.120 0.000 0.000 0.305 410 V C -0.413 176.045 176.094 0.606 0.000 1.043 410 V CA -0.890 61.665 62.300 0.425 0.000 0.888 410 V CB 1.839 33.761 31.823 0.165 0.000 0.995 410 V HN 0.737 nan 8.190 nan 0.000 0.429 411 N N 3.053 122.120 118.700 0.611 0.000 2.424 411 N HA 0.461 5.201 4.740 0.000 0.000 0.271 411 N C -1.623 174.226 175.510 0.565 0.000 0.985 411 N CA -0.270 53.146 53.050 0.610 0.000 0.921 411 N CB 2.343 41.130 38.487 0.500 0.000 1.149 411 N HN 0.812 nan 8.380 nan 0.000 0.492 412 Y N 2.208 122.746 120.300 0.397 0.000 2.421 412 Y HA 0.174 4.725 4.550 0.000 0.000 0.339 412 Y C -0.604 175.496 175.900 0.334 0.000 0.996 412 Y CA -0.651 57.702 58.100 0.422 0.000 1.046 412 Y CB 1.232 40.022 38.460 0.549 0.000 1.226 412 Y HN 0.523 nan 8.280 nan 0.000 0.445 413 Y N 4.362 124.584 120.300 -0.131 0.000 2.333 413 Y HA 0.243 4.793 4.550 0.000 0.000 0.287 413 Y C -0.009 175.733 175.900 -0.265 0.000 1.149 413 Y CA 1.075 59.102 58.100 -0.122 0.000 1.193 413 Y CB 0.411 38.777 38.460 -0.156 0.000 1.175 413 Y HN 0.750 nan 8.280 nan 0.000 0.518 414 N N -2.319 116.158 118.700 -0.371 0.000 3.157 414 N HA 0.107 4.847 4.740 0.000 0.000 0.291 414 N C 0.404 175.668 175.510 -0.410 0.000 1.515 414 N CA 0.183 53.004 53.050 -0.382 0.000 0.807 414 N CB 0.355 38.797 38.487 -0.075 0.000 1.672 414 N HN 0.072 nan 8.380 nan 0.000 0.592 415 T N -3.042 111.488 114.554 -0.041 0.000 2.897 415 T HA -0.160 4.190 4.350 0.000 0.000 0.271 415 T C 0.804 175.644 174.700 0.234 0.000 1.084 415 T CA 1.415 63.618 62.100 0.171 0.000 1.123 415 T CB -0.389 68.559 68.868 0.135 0.000 0.865 415 T HN 0.608 nan 8.240 nan 0.000 0.496 416 Q N 0.499 120.312 119.800 0.021 0.000 2.217 416 Q HA 0.282 4.622 4.340 0.000 0.000 0.217 416 Q C -0.389 175.420 176.000 -0.318 0.000 0.844 416 Q CA -0.154 55.587 55.803 -0.104 0.000 0.957 416 Q CB 0.592 29.260 28.738 -0.117 0.000 1.127 416 Q HN 0.491 nan 8.270 nan 0.000 0.503 417 N N 1.190 119.713 118.700 -0.295 0.000 2.558 417 N HA 0.231 4.971 4.740 0.000 0.000 0.285 417 N C -1.545 173.873 175.510 -0.153 0.000 1.112 417 N CA -0.187 52.676 53.050 -0.313 0.000 0.857 417 N CB 1.578 39.930 38.487 -0.225 0.000 1.376 417 N HN 0.174 nan 8.380 nan 0.000 0.526 418 W N 0.181 121.436 121.300 -0.074 0.000 3.064 418 W HA 0.411 5.072 4.660 0.000 0.000 0.328 418 W C -1.361 175.206 176.519 0.080 0.000 1.210 418 W CA -0.875 56.471 57.345 0.002 0.000 1.178 418 W CB 0.501 29.959 29.460 -0.004 0.000 1.416 418 W HN 0.246 nan 8.180 nan 0.000 0.568 419 T N -0.701 114.206 114.554 0.587 0.000 2.896 419 T HA 0.724 5.074 4.350 0.000 0.000 0.297 419 T C -1.231 173.739 174.700 0.450 0.000 1.108 419 T CA -0.614 61.760 62.100 0.456 0.000 1.004 419 T CB 2.571 71.545 68.868 0.176 0.000 1.159 419 T HN 0.731 nan 8.240 nan 0.000 0.499 420 T N 1.111 115.782 114.554 0.196 0.000 2.982 420 T HA 0.533 4.883 4.350 0.000 0.000 0.321 420 T C -2.058 172.440 174.700 -0.336 0.000 1.229 420 T CA -0.688 61.410 62.100 -0.005 0.000 1.044 420 T CB 1.476 70.359 68.868 0.024 0.000 1.184 420 T HN 0.830 nan 8.240 nan 0.000 0.477 421 L N 5.839 126.773 121.223 -0.481 0.000 2.262 421 L HA 0.661 5.001 4.340 0.000 0.000 0.288 421 L C -0.317 176.548 176.870 -0.008 0.000 1.035 421 L CA 0.112 54.773 54.840 -0.298 0.000 0.820 421 L CB 0.723 42.617 42.059 -0.275 0.000 1.204 421 L HN 0.779 nan 8.230 nan 0.000 0.424 422 Q N 4.262 124.081 119.800 0.032 0.000 2.423 422 Q HA 0.649 4.989 4.340 0.000 0.000 0.278 422 Q C -1.304 174.772 176.000 0.128 0.000 1.097 422 Q CA -0.954 54.902 55.803 0.089 0.000 0.809 422 Q CB 2.141 30.919 28.738 0.067 0.000 1.391 422 Q HN 0.609 nan 8.270 nan 0.000 0.428 423 I N 1.725 122.402 120.570 0.178 0.000 2.365 423 I HA 0.428 4.598 4.170 0.000 0.000 0.291 423 I C 0.142 176.459 176.117 0.333 0.000 1.004 423 I CA -0.082 61.369 61.300 0.251 0.000 1.311 423 I CB 1.691 39.902 38.000 0.352 0.000 1.401 423 I HN 0.814 nan 8.210 nan 0.000 0.491 424 T N 4.236 118.953 114.554 0.271 0.000 2.590 424 T HA 0.470 4.820 4.350 0.000 0.000 0.282 424 T C -2.217 172.661 174.700 0.298 0.000 0.989 424 T CA -0.530 61.757 62.100 0.313 0.000 1.091 424 T CB 1.120 70.166 68.868 0.297 0.000 1.460 424 T HN 0.552 nan 8.240 nan 0.000 0.499 425 W N 1.499 122.874 121.300 0.125 0.000 2.819 425 W HA 0.679 5.339 4.660 0.000 0.000 0.337 425 W C -1.404 175.242 176.519 0.212 0.000 1.077 425 W CA -0.526 56.879 57.345 0.099 0.000 1.226 425 W CB 1.134 30.594 29.460 0.000 0.000 1.419 425 W HN 0.695 nan 8.180 nan 0.000 0.502 426 H N 3.647 122.307 119.070 -0.684 0.000 2.717 426 H HA 0.207 4.763 4.556 0.000 0.000 0.366 426 H C 0.384 174.937 175.328 -1.291 0.000 1.132 426 H CA -0.258 55.402 56.048 -0.647 0.000 1.180 426 H CB 2.260 31.826 29.762 -0.327 0.000 1.678 426 H HN 0.640 nan 8.280 nan 0.000 0.537 427 E N 2.414 121.849 120.200 -1.275 0.000 2.097 427 E HA -0.244 4.106 4.350 0.000 0.000 0.196 427 E C 1.549 177.884 176.600 -0.441 0.000 1.000 427 E CA 2.087 57.993 56.400 -0.823 0.000 0.804 427 E CB 0.332 29.826 29.700 -0.343 0.000 0.740 427 E HN 0.659 nan 8.360 nan 0.000 0.454 428 E N 0.527 120.600 120.200 -0.211 0.000 2.099 428 E HA -0.010 4.340 4.350 0.000 0.000 0.191 428 E C 1.295 177.878 176.600 -0.029 0.000 0.962 428 E CA 1.033 57.425 56.400 -0.012 0.000 0.826 428 E CB 0.169 29.937 29.700 0.114 0.000 0.788 428 E HN 0.025 nan 8.360 nan 0.000 0.461 429 K N -0.022 120.400 120.400 0.038 0.000 2.400 429 K HA 0.224 4.544 4.320 0.000 0.000 0.194 429 K C 0.914 177.414 176.600 -0.167 0.000 1.033 429 K CA 0.347 56.578 56.287 -0.094 0.000 1.021 429 K CB 0.437 32.828 32.500 -0.183 0.000 0.808 429 K HN 0.286 nan 8.250 nan 0.000 0.505 430 G N 2.347 110.938 108.800 -0.350 0.000 2.528 430 G HA2 -0.347 3.613 3.960 0.000 0.000 0.262 430 G HA3 -0.347 3.613 3.960 0.000 0.000 0.262 430 G C -0.575 174.148 174.900 -0.295 0.000 1.200 430 G CA -0.244 44.618 45.100 -0.397 0.000 0.951 430 G HN 0.351 nan 8.290 nan 0.000 0.566 431 R N 0.847 121.324 120.500 -0.037 0.000 2.522 431 R HA 0.377 4.718 4.340 0.000 0.000 0.284 431 R C 0.441 176.731 176.300 -0.016 0.000 1.032 431 R CA 0.994 57.110 56.100 0.027 0.000 1.049 431 R CB -0.625 29.678 30.300 0.005 0.000 0.956 431 R HN 0.913 nan 8.270 nan 0.000 0.422 432 I N 1.081 121.668 120.570 0.028 0.000 2.994 432 I HA 0.423 4.593 4.170 0.000 0.000 0.306 432 I C -1.262 174.886 176.117 0.052 0.000 1.195 432 I CA -1.240 60.069 61.300 0.014 0.000 1.001 432 I CB 1.960 39.949 38.000 -0.018 0.000 1.244 432 I HN 0.371 nan 8.210 nan 0.000 0.437 433 L N 2.980 124.212 121.223 0.015 0.000 2.322 433 L HA 0.655 4.995 4.340 0.000 0.000 0.279 433 L C -0.365 176.500 176.870 -0.009 0.000 1.036 433 L CA -0.176 54.667 54.840 0.005 0.000 0.807 433 L CB 1.689 43.690 42.059 -0.097 0.000 1.226 433 L HN 0.863 nan 8.230 nan 0.000 0.433 434 E N 3.044 123.259 120.200 0.025 0.000 2.412 434 E HA 0.536 4.886 4.350 0.000 0.000 0.279 434 E C -1.764 174.862 176.600 0.042 0.000 0.984 434 E CA -0.947 55.475 56.400 0.036 0.000 0.788 434 E CB 1.796 31.531 29.700 0.058 0.000 1.277 434 E HN 0.363 nan 8.360 nan 0.000 0.455 435 L N 1.685 122.950 121.223 0.069 0.000 2.343 435 L HA 0.631 4.971 4.340 0.000 0.000 0.275 435 L C -0.113 176.834 176.870 0.128 0.000 1.056 435 L CA -0.817 54.073 54.840 0.084 0.000 0.804 435 L CB 1.517 43.701 42.059 0.208 0.000 1.203 435 L HN 0.642 nan 8.230 nan 0.000 0.440 436 M N 2.374 122.067 119.600 0.154 0.000 2.322 436 M HA 0.418 4.899 4.480 0.000 0.000 0.286 436 M C -1.102 175.358 176.300 0.267 0.000 1.111 436 M CA -0.285 55.150 55.300 0.225 0.000 0.941 436 M CB 2.347 35.121 32.600 0.291 0.000 1.671 436 M HN 0.694 nan 8.290 nan 0.000 0.470 437 T N 0.665 115.288 114.554 0.116 0.000 2.907 437 T HA 0.715 5.065 4.350 0.000 0.000 0.292 437 T C -1.262 173.144 174.700 -0.492 0.000 1.043 437 T CA -0.729 61.325 62.100 -0.077 0.000 1.003 437 T CB 1.711 70.635 68.868 0.094 0.000 1.084 437 T HN 0.829 nan 8.240 nan 0.000 0.483 438 C N 2.776 121.506 119.300 -0.949 0.000 2.431 438 C HA 0.736 5.196 4.460 0.000 0.000 0.321 438 C C -1.421 173.221 174.990 -0.581 0.000 1.202 438 C CA -0.426 57.997 59.018 -0.992 0.000 1.398 438 C CB 0.421 27.006 27.740 -1.925 0.000 2.047 438 C HN 1.029 nan 8.230 nan 0.000 0.465 439 D N 3.296 123.526 120.400 -0.284 0.000 2.473 439 D HA 0.306 4.946 4.640 0.000 0.000 0.253 439 D C -0.064 176.251 176.300 0.026 0.000 1.233 439 D CA -0.066 53.893 54.000 -0.068 0.000 0.908 439 D CB 0.328 41.160 40.800 0.053 0.000 1.170 439 D HN 0.825 nan 8.370 nan 0.000 0.558 440 H N 2.986 121.972 119.070 -0.140 0.000 2.626 440 H HA -0.227 4.329 4.556 0.000 0.000 0.317 440 H C 1.306 176.572 175.328 -0.102 0.000 1.140 440 H CA 0.769 56.743 56.048 -0.123 0.000 1.134 440 H CB -0.918 28.764 29.762 -0.133 0.000 1.486 440 H HN 0.440 nan 8.280 nan 0.000 0.417 441 L N -3.075 118.099 121.223 -0.081 0.000 4.342 441 L HA -0.241 4.099 4.340 0.000 0.000 0.395 441 L C -0.111 176.724 176.870 -0.059 0.000 0.764 441 L CA 1.515 56.321 54.840 -0.057 0.000 2.417 441 L CB -0.808 41.252 42.059 0.002 0.000 1.210 441 L HN 0.203 nan 8.230 nan 0.000 0.626 442 V N 1.246 121.126 119.914 -0.057 0.000 2.455 442 V HA 0.371 4.492 4.120 0.000 0.000 0.273 442 V C 0.633 176.669 176.094 -0.097 0.000 1.045 442 V CA -0.186 62.085 62.300 -0.049 0.000 0.976 442 V CB 1.213 33.023 31.823 -0.022 0.000 0.993 442 V HN 0.053 nan 8.190 nan 0.000 0.475 443 V N 4.392 124.263 119.914 -0.072 0.000 2.472 443 V HA 0.439 4.559 4.120 0.000 0.000 0.290 443 V C -0.249 175.826 176.094 -0.031 0.000 1.037 443 V CA -0.390 61.859 62.300 -0.084 0.000 0.908 443 V CB 1.877 33.688 31.823 -0.019 0.000 0.985 443 V HN 0.965 nan 8.190 nan 0.000 0.454 444 D N 2.602 122.988 120.400 -0.023 0.000 2.457 444 D HA 0.472 5.112 4.640 0.000 0.000 0.240 444 D C -0.694 175.639 176.300 0.056 0.000 1.041 444 D CA -0.446 53.565 54.000 0.017 0.000 0.861 444 D CB 2.005 42.816 40.800 0.019 0.000 1.394 444 D HN 0.527 nan 8.370 nan 0.000 0.473 445 Q N 3.133 122.967 119.800 0.058 0.000 2.607 445 Q HA 0.273 4.613 4.340 0.000 0.000 0.247 445 Q C -1.862 174.176 176.000 0.063 0.000 1.033 445 Q CA -1.645 54.204 55.803 0.076 0.000 0.769 445 Q CB 1.970 30.749 28.738 0.068 0.000 1.169 445 Q HN 0.282 nan 8.270 nan 0.000 0.508 446 P HA -0.170 nan 4.420 nan 0.000 0.220 446 P C 0.355 177.679 177.300 0.040 0.000 1.144 446 P CA 1.269 64.400 63.100 0.052 0.000 0.800 446 P CB 0.311 32.057 31.700 0.076 0.000 0.772 447 L N -1.033 120.221 121.223 0.052 0.000 2.818 447 L HA 0.190 4.530 4.340 0.000 0.000 0.243 447 L C 0.977 177.853 176.870 0.009 0.000 1.185 447 L CA -0.628 54.231 54.840 0.032 0.000 0.988 447 L CB -0.423 41.661 42.059 0.041 0.000 1.292 447 L HN -0.021 nan 8.230 nan 0.000 0.519 448 R N 0.588 121.095 120.500 0.012 0.000 2.502 448 R HA 0.162 4.502 4.340 0.000 0.000 0.292 448 R C 0.935 177.223 176.300 -0.020 0.000 0.998 448 R CA 0.822 56.922 56.100 -0.000 0.000 1.056 448 R CB -0.033 30.274 30.300 0.011 0.000 0.939 448 R HN 0.245 nan 8.270 nan 0.000 0.411 449 G N 3.144 111.914 108.800 -0.050 0.000 2.245 449 G HA2 -0.355 3.605 3.960 0.000 0.000 0.264 449 G HA3 -0.355 3.605 3.960 0.000 0.000 0.264 449 G C 0.789 175.646 174.900 -0.072 0.000 0.985 449 G CA 0.457 45.517 45.100 -0.066 0.000 0.625 449 G HN 0.670 nan 8.290 nan 0.000 0.536 450 R N 0.524 120.992 120.500 -0.054 0.000 2.613 450 R HA 0.279 4.619 4.340 0.000 0.000 0.361 450 R C -0.124 176.151 176.300 -0.041 0.000 1.072 450 R CA -0.243 55.836 56.100 -0.036 0.000 1.089 450 R CB 0.416 30.711 30.300 -0.008 0.000 1.343 450 R HN 0.448 nan 8.270 nan 0.000 0.571 451 E N 0.985 121.136 120.200 -0.082 0.000 2.398 451 E HA 0.062 4.413 4.350 0.000 0.000 0.263 451 E C 0.006 176.565 176.600 -0.068 0.000 1.046 451 E CA 0.158 56.511 56.400 -0.078 0.000 0.908 451 E CB 0.702 30.331 29.700 -0.119 0.000 0.963 451 E HN -0.035 nan 8.360 nan 0.000 0.431 452 I N 2.875 123.406 120.570 -0.066 0.000 2.379 452 I HA 0.044 4.214 4.170 0.000 0.000 0.290 452 I C -0.197 175.918 176.117 -0.002 0.000 1.063 452 I CA -0.383 60.885 61.300 -0.055 0.000 1.351 452 I CB 0.193 38.052 38.000 -0.235 0.000 1.410 452 I HN 0.222 nan 8.210 nan 0.000 0.505 453 V N 7.924 127.856 119.914 0.030 0.000 2.479 453 V HA 0.073 4.193 4.120 0.000 0.000 0.281 453 V C 0.491 176.615 176.094 0.050 0.000 1.031 453 V CA -0.404 61.905 62.300 0.015 0.000 1.038 453 V CB 1.205 33.027 31.823 -0.000 0.000 0.981 453 V HN 0.409 nan 8.190 nan 0.000 0.478 454 V N 8.429 128.306 119.914 -0.061 0.000 2.406 454 V HA 0.279 4.399 4.120 0.000 0.000 0.272 454 V C -1.972 173.963 176.094 -0.266 0.000 1.043 454 V CA -1.723 60.397 62.300 -0.301 0.000 0.915 454 V CB 1.139 32.790 31.823 -0.286 0.000 0.988 454 V HN 0.771 nan 8.190 nan 0.000 0.466 455 P HA 0.105 nan 4.420 nan 0.000 0.269 455 P C 0.546 177.742 177.300 -0.173 0.000 1.209 455 P CA -0.111 62.882 63.100 -0.178 0.000 0.776 455 P CB 0.728 32.343 31.700 -0.140 0.000 0.876 456 D N 1.119 121.456 120.400 -0.104 0.000 2.221 456 D HA -0.187 4.453 4.640 0.000 0.000 0.204 456 D C 0.917 177.162 176.300 -0.091 0.000 0.982 456 D CA 1.309 55.256 54.000 -0.089 0.000 0.857 456 D CB -0.163 40.604 40.800 -0.056 0.000 0.934 456 D HN 0.415 nan 8.370 nan 0.000 0.475 457 D N -0.603 119.749 120.400 -0.080 0.000 2.349 457 D HA -0.067 4.573 4.640 0.000 0.000 0.224 457 D C 0.239 176.502 176.300 -0.062 0.000 1.029 457 D CA -0.093 53.873 54.000 -0.057 0.000 0.879 457 D CB -0.186 40.598 40.800 -0.028 0.000 0.906 457 D HN 0.168 nan 8.370 nan 0.000 0.528 458 I N 1.789 122.291 120.570 -0.113 0.000 2.322 458 I HA 0.086 4.256 4.170 0.000 0.000 0.292 458 I C 1.482 177.538 176.117 -0.101 0.000 1.060 458 I CA -0.240 60.996 61.300 -0.106 0.000 1.309 458 I CB 0.750 38.585 38.000 -0.274 0.000 1.415 458 I HN 0.080 nan 8.210 nan 0.000 0.492 459 E N 5.711 125.875 120.200 -0.060 0.000 2.051 459 E HA -0.100 4.250 4.350 0.000 0.000 0.189 459 E C -0.418 175.996 176.600 -0.311 0.000 0.979 459 E CA 1.119 57.393 56.400 -0.211 0.000 0.803 459 E CB 0.324 29.887 29.700 -0.228 0.000 0.761 459 E HN 0.505 nan 8.360 nan 0.000 0.451 460 Y N -0.176 120.147 120.300 0.040 0.000 2.364 460 Y HA 0.372 4.922 4.550 0.000 0.000 0.340 460 Y C -0.617 175.330 175.900 0.078 0.000 0.975 460 Y CA -0.978 57.111 58.100 -0.017 0.000 1.089 460 Y CB 2.064 40.446 38.460 -0.131 0.000 1.192 460 Y HN -0.244 nan 8.280 nan 0.000 0.454 461 V N 4.329 124.371 119.914 0.212 0.000 2.398 461 V HA 0.298 4.418 4.120 0.000 0.000 0.286 461 V C -0.849 175.384 176.094 0.232 0.000 1.026 461 V CA -1.206 61.303 62.300 0.347 0.000 0.868 461 V CB 0.544 32.564 31.823 0.328 0.000 0.982 461 V HN 0.601 nan 8.190 nan 0.000 0.443 462 Y N 5.187 125.621 120.300 0.223 0.000 2.313 462 Y HA 0.656 5.206 4.550 0.000 0.000 0.332 462 Y C 0.110 176.226 175.900 0.361 0.000 1.071 462 Y CA -0.621 57.599 58.100 0.200 0.000 1.169 462 Y CB 1.205 39.628 38.460 -0.062 0.000 1.192 462 Y HN 0.421 nan 8.280 nan 0.000 0.487 463 L N 4.728 126.304 121.223 0.588 0.000 2.385 463 L HA 0.667 5.008 4.340 0.000 0.000 0.273 463 L C -0.486 176.741 176.870 0.594 0.000 0.990 463 L CA -0.842 54.356 54.840 0.596 0.000 0.821 463 L CB 2.194 44.530 42.059 0.461 0.000 1.279 463 L HN 0.574 nan 8.230 nan 0.000 0.412 464 R N 2.091 122.935 120.500 0.573 0.000 2.686 464 R HA 0.802 5.142 4.340 0.000 0.000 0.283 464 R C -2.009 174.445 176.300 0.256 0.000 0.978 464 R CA -0.570 55.706 56.100 0.294 0.000 0.897 464 R CB 2.832 33.099 30.300 -0.056 0.000 1.192 464 R HN 0.443 nan 8.270 nan 0.000 0.457 465 V N 2.941 122.909 119.914 0.090 0.000 2.604 465 V HA 0.559 4.679 4.120 0.000 0.000 0.305 465 V C -1.175 174.799 176.094 -0.200 0.000 1.043 465 V CA -0.236 61.996 62.300 -0.114 0.000 0.888 465 V CB 2.397 34.076 31.823 -0.240 0.000 0.995 465 V HN 0.893 nan 8.190 nan 0.000 0.429 466 T N 5.885 120.303 114.554 -0.227 0.000 2.833 466 T HA 0.480 4.830 4.350 0.000 0.000 0.297 466 T C -0.650 173.846 174.700 -0.339 0.000 1.015 466 T CA -0.271 61.659 62.100 -0.282 0.000 0.963 466 T CB 1.223 69.984 68.868 -0.178 0.000 0.955 466 T HN 0.470 nan 8.240 nan 0.000 0.449 467 V N 4.961 124.472 119.914 -0.671 0.000 2.370 467 V HA 0.341 4.461 4.120 0.000 0.000 0.279 467 V C 0.097 175.941 176.094 -0.417 0.000 1.029 467 V CA -0.639 61.242 62.300 -0.700 0.000 0.870 467 V CB 1.271 32.137 31.823 -1.595 0.000 0.984 467 V HN 0.774 nan 8.190 nan 0.000 0.451 468 Q N 4.212 123.900 119.800 -0.186 0.000 2.788 468 Q HA 0.568 4.908 4.340 0.000 0.000 0.285 468 Q C 0.827 176.729 176.000 -0.165 0.000 1.063 468 Q CA 0.301 56.047 55.803 -0.096 0.000 0.958 468 Q CB 1.376 30.134 28.738 0.034 0.000 1.211 468 Q HN 0.986 nan 8.270 nan 0.000 0.478 469 A N 1.557 124.161 122.820 -0.361 0.000 5.042 469 A HA -0.402 3.919 4.320 0.000 0.000 0.334 469 A C 1.739 179.383 177.584 0.099 0.000 1.811 469 A CA 2.692 54.641 52.037 -0.147 0.000 0.704 469 A CB -2.187 16.669 19.000 -0.239 0.000 1.410 469 A HN 0.709 nan 8.150 nan 0.000 0.386 470 T N -1.539 113.064 114.554 0.082 0.000 3.035 470 T HA 0.349 4.699 4.350 0.000 0.000 0.268 470 T C 0.873 175.680 174.700 0.178 0.000 1.109 470 T CA 2.228 64.415 62.100 0.143 0.000 1.119 470 T CB -0.971 67.948 68.868 0.085 0.000 0.900 470 T HN 2.325 nan 8.240 nan 0.000 0.503 471 T N -0.318 114.323 114.554 0.145 0.000 2.906 471 T HA 0.672 5.023 4.350 0.000 0.000 0.295 471 T C -1.138 173.680 174.700 0.196 0.000 1.075 471 T CA -1.159 61.024 62.100 0.139 0.000 1.005 471 T CB 2.066 70.961 68.868 0.045 0.000 1.136 471 T HN 0.538 nan 8.240 nan 0.000 0.498 472 Y N -1.286 119.053 120.300 0.065 0.000 2.625 472 Y HA 0.861 5.412 4.550 0.000 0.000 0.338 472 Y C -1.192 174.747 175.900 0.065 0.000 1.123 472 Y CA -1.339 56.742 58.100 -0.031 0.000 1.046 472 Y CB 1.723 40.095 38.460 -0.145 0.000 1.299 472 Y HN 0.782 nan 8.280 nan 0.000 0.464 473 K N 1.432 121.884 120.400 0.087 0.000 2.464 473 K HA 0.428 4.748 4.320 0.000 0.000 0.253 473 K C -1.999 174.647 176.600 0.078 0.000 0.933 473 K CA -0.914 55.447 56.287 0.123 0.000 0.801 473 K CB 2.295 34.856 32.500 0.100 0.000 1.271 473 K HN 0.682 nan 8.250 nan 0.000 0.430 474 Y N 0.581 121.061 120.300 0.300 0.000 2.320 474 Y HA 0.290 4.840 4.550 0.000 0.000 0.324 474 Y C 0.686 176.750 175.900 0.272 0.000 1.190 474 Y CA 0.051 58.320 58.100 0.282 0.000 1.215 474 Y CB 1.736 40.378 38.460 0.303 0.000 1.221 474 Y HN 0.568 nan 8.280 nan 0.000 0.486 475 S N 1.554 117.533 115.700 0.466 0.000 2.618 475 S HA 0.785 5.255 4.470 0.000 0.000 0.277 475 S C -1.548 173.453 174.600 0.670 0.000 1.138 475 S CA -0.951 57.525 58.200 0.460 0.000 0.844 475 S CB 1.861 65.239 63.200 0.297 0.000 1.127 475 S HN 0.659 nan 8.310 nan 0.000 0.474 476 Y N -1.349 119.232 120.300 0.468 0.000 2.638 476 Y HA 0.894 5.444 4.550 0.000 0.000 0.339 476 Y C -0.602 175.246 175.900 -0.086 0.000 1.084 476 Y CA -0.845 57.439 58.100 0.307 0.000 1.068 476 Y CB 1.409 39.954 38.460 0.141 0.000 1.294 476 Y HN 0.967 nan 8.280 nan 0.000 0.480 477 S N 0.487 115.974 115.700 -0.355 0.000 2.537 477 S HA 0.532 5.002 4.470 0.000 0.000 0.271 477 S C -1.337 173.198 174.600 -0.109 0.000 1.148 477 S CA -0.624 57.117 58.200 -0.764 0.000 0.868 477 S CB 0.695 62.814 63.200 -1.801 0.000 1.115 477 S HN 0.606 nan 8.310 nan 0.000 0.461 478 F N 1.945 121.856 119.950 -0.065 0.000 2.731 478 F HA 0.269 4.796 4.527 0.000 0.000 0.298 478 F C 1.582 177.426 175.800 0.073 0.000 1.106 478 F CA 0.052 58.116 58.000 0.106 0.000 1.329 478 F CB 0.125 39.190 39.000 0.108 0.000 1.100 478 F HN 0.719 nan 8.300 nan 0.000 0.592 479 D N -2.604 117.772 120.400 -0.039 0.000 2.500 479 D HA 0.256 4.896 4.640 0.000 0.000 0.218 479 D C 1.796 177.812 176.300 -0.473 0.000 1.140 479 D CA 0.792 54.731 54.000 -0.102 0.000 0.830 479 D CB 0.117 40.884 40.800 -0.055 0.000 1.055 479 D HN 0.186 nan 8.370 nan 0.000 0.512 480 G N 0.372 108.469 108.800 -1.171 0.000 2.176 480 G HA2 -0.346 3.614 3.960 0.000 0.000 0.253 480 G HA3 -0.346 3.614 3.960 0.000 0.000 0.253 480 G C 0.891 175.486 174.900 -0.508 0.000 0.979 480 G CA 0.717 45.002 45.100 -1.358 0.000 0.641 480 G HN 0.367 nan 8.290 nan 0.000 0.530 481 M N -0.741 118.605 119.600 -0.422 0.000 2.724 481 M HA 0.268 4.748 4.480 0.000 0.000 0.231 481 M C 0.340 176.576 176.300 -0.106 0.000 1.568 481 M CA 0.179 55.399 55.300 -0.133 0.000 1.153 481 M CB 0.338 32.886 32.600 -0.087 0.000 1.345 481 M HN 0.032 nan 8.290 nan 0.000 0.555 482 N N 0.623 119.159 118.700 -0.274 0.000 2.439 482 N HA 0.221 4.961 4.740 0.000 0.000 0.249 482 N C -1.777 173.498 175.510 -0.391 0.000 1.003 482 N CA 0.003 52.930 53.050 -0.204 0.000 0.942 482 N CB 0.855 39.245 38.487 -0.161 0.000 1.115 482 N HN 0.108 nan 8.380 nan 0.000 0.505 483 W N 2.202 123.388 121.300 -0.191 0.000 2.512 483 W HA 0.582 5.243 4.660 0.000 0.000 0.335 483 W C 0.299 176.632 176.519 -0.311 0.000 1.088 483 W CA -0.510 56.686 57.345 -0.248 0.000 1.236 483 W CB 1.187 30.565 29.460 -0.138 0.000 1.307 483 W HN 0.181 nan 8.180 nan 0.000 0.567 484 I N 2.725 123.136 120.570 -0.265 0.000 2.499 484 I HA 0.125 4.295 4.170 0.000 0.000 0.288 484 I C -0.781 175.295 176.117 -0.069 0.000 1.048 484 I CA -0.973 60.165 61.300 -0.271 0.000 1.062 484 I CB 1.477 39.169 38.000 -0.513 0.000 1.238 484 I HN 0.194 nan 8.210 nan 0.000 0.426 485 D N 6.603 127.038 120.400 0.057 0.000 2.389 485 D HA 0.287 4.927 4.640 0.000 0.000 0.247 485 D C -0.176 176.243 176.300 0.197 0.000 1.128 485 D CA 0.145 54.230 54.000 0.142 0.000 0.884 485 D CB 0.997 41.855 40.800 0.097 0.000 1.194 485 D HN 0.255 nan 8.370 nan 0.000 0.441 486 L N 4.498 125.892 121.223 0.286 0.000 2.331 486 L HA 0.227 4.567 4.340 0.000 0.000 0.278 486 L C -1.479 175.505 176.870 0.191 0.000 1.106 486 L CA -1.498 53.508 54.840 0.276 0.000 0.824 486 L CB 0.713 42.974 42.059 0.338 0.000 1.142 486 L HN 0.243 nan 8.230 nan 0.000 0.443 487 P HA 0.076 nan 4.420 nan 0.000 0.237 487 P C -0.766 176.541 177.300 0.012 0.000 1.723 487 P CA 0.172 63.310 63.100 0.063 0.000 0.882 487 P CB -0.072 31.657 31.700 0.047 0.000 1.810 488 V N -0.038 119.880 119.914 0.006 0.000 2.623 488 V HA 0.269 4.389 4.120 0.000 0.000 0.304 488 V C 0.150 176.089 176.094 -0.259 0.000 1.054 488 V CA -0.371 61.824 62.300 -0.176 0.000 0.882 488 V CB 2.237 33.906 31.823 -0.256 0.000 1.002 488 V HN 0.010 nan 8.190 nan 0.000 0.424 489 T N 5.526 119.883 114.554 -0.329 0.000 2.744 489 T HA 0.652 5.002 4.350 0.000 0.000 0.291 489 T C -0.464 173.947 174.700 -0.482 0.000 0.957 489 T CA 0.025 61.964 62.100 -0.268 0.000 1.002 489 T CB 0.330 69.114 68.868 -0.140 0.000 0.919 489 T HN 0.289 nan 8.240 nan 0.000 0.468 490 F N 1.496 121.240 119.950 -0.343 0.000 2.403 490 F HA 0.421 4.948 4.527 0.000 0.000 0.326 490 F C 1.082 176.650 175.800 -0.386 0.000 1.081 490 F CA -1.010 56.688 58.000 -0.504 0.000 1.041 490 F CB 1.123 39.485 39.000 -1.063 0.000 1.234 490 F HN 0.441 nan 8.300 nan 0.000 0.503 491 E N 0.258 120.447 120.200 -0.018 0.000 2.145 491 E HA 0.231 4.581 4.350 0.000 0.000 0.270 491 E C -0.035 176.673 176.600 0.180 0.000 0.906 491 E CA -0.304 56.143 56.400 0.078 0.000 0.761 491 E CB 1.604 31.332 29.700 0.047 0.000 1.116 491 E HN 0.556 nan 8.360 nan 0.000 0.408 492 S N 1.714 117.634 115.700 0.368 0.000 2.447 492 S HA -0.186 4.284 4.470 0.000 0.000 0.233 492 S C 1.675 176.372 174.600 0.162 0.000 1.006 492 S CA 0.851 59.311 58.200 0.435 0.000 0.957 492 S CB -0.294 63.243 63.200 0.562 0.000 0.773 492 S HN 0.678 nan 8.310 nan 0.000 0.507 493 Y N 1.710 121.984 120.300 -0.042 0.000 2.497 493 Y HA 0.124 4.674 4.550 0.000 0.000 0.292 493 Y C 1.537 177.172 175.900 -0.442 0.000 1.137 493 Y CA 0.763 58.721 58.100 -0.237 0.000 1.285 493 Y CB -0.407 37.726 38.460 -0.545 0.000 0.991 493 Y HN 0.036 nan 8.280 nan 0.000 0.556 494 K N -0.006 119.772 120.400 -1.037 0.000 2.432 494 K HA 0.065 4.385 4.320 0.000 0.000 0.196 494 K C 0.134 176.509 176.600 -0.374 0.000 1.038 494 K CA 0.245 55.855 56.287 -1.129 0.000 0.986 494 K CB 0.117 32.023 32.500 -0.989 0.000 0.782 494 K HN 0.233 nan 8.250 nan 0.000 0.485 495 L N 1.170 122.255 121.223 -0.230 0.000 3.034 495 L HA 0.122 4.462 4.340 0.000 0.000 0.245 495 L C -0.023 176.746 176.870 -0.169 0.000 1.295 495 L CA 0.013 54.757 54.840 -0.161 0.000 1.068 495 L CB -0.085 41.837 42.059 -0.229 0.000 1.426 495 L HN -0.049 nan 8.230 nan 0.000 0.531 496 S N -3.824 111.748 115.700 -0.213 0.000 2.566 496 S HA 0.457 4.927 4.470 0.000 0.000 0.298 496 S C 0.627 175.046 174.600 -0.302 0.000 1.083 496 S CA -0.719 57.428 58.200 -0.090 0.000 0.978 496 S CB 1.910 65.231 63.200 0.202 0.000 1.073 496 S HN 0.093 nan 8.310 nan 0.000 0.491 497 D N 1.758 122.088 120.400 -0.115 0.000 2.126 497 D HA -0.144 4.497 4.640 0.000 0.000 0.190 497 D C 1.031 177.311 176.300 -0.033 0.000 1.001 497 D CA 2.209 56.149 54.000 -0.101 0.000 0.841 497 D CB -0.560 40.270 40.800 0.049 0.000 0.949 497 D HN 0.816 nan 8.370 nan 0.000 0.446 498 D N -1.353 119.141 120.400 0.156 0.000 2.310 498 D HA -0.132 4.508 4.640 0.000 0.000 0.212 498 D C 1.513 178.064 176.300 0.418 0.000 0.965 498 D CA 0.363 54.511 54.000 0.248 0.000 0.879 498 D CB -0.130 40.806 40.800 0.228 0.000 0.921 498 D HN 0.260 nan 8.370 nan 0.000 0.510 499 Y N 0.969 121.454 120.300 0.308 0.000 2.475 499 Y HA 0.092 4.643 4.550 0.000 0.000 0.289 499 Y C 0.259 176.257 175.900 0.163 0.000 1.121 499 Y CA 0.100 58.373 58.100 0.288 0.000 1.257 499 Y CB 0.248 38.769 38.460 0.102 0.000 1.026 499 Y HN -0.182 nan 8.280 nan 0.000 0.555 500 I N 2.650 123.204 120.570 -0.027 0.000 2.436 500 I HA 0.001 4.171 4.170 0.000 0.000 0.289 500 I C 0.902 177.032 176.117 0.021 0.000 1.083 500 I CA -0.019 61.230 61.300 -0.084 0.000 1.372 500 I CB 0.994 38.842 38.000 -0.252 0.000 1.408 500 I HN 0.120 nan 8.210 nan 0.000 0.516 501 K N 3.648 124.156 120.400 0.180 0.000 2.504 501 K HA -0.042 4.278 4.320 0.000 0.000 0.195 501 K C 1.753 178.362 176.600 0.014 0.000 1.036 501 K CA 0.589 56.884 56.287 0.015 0.000 0.984 501 K CB -0.206 32.221 32.500 -0.121 0.000 0.788 501 K HN 0.716 nan 8.250 nan 0.000 0.488 502 S N 0.378 116.082 115.700 0.007 0.000 2.453 502 S HA -0.056 4.415 4.470 0.000 0.000 0.231 502 S C 1.040 175.624 174.600 -0.027 0.000 1.005 502 S CA 0.588 58.782 58.200 -0.009 0.000 0.949 502 S CB 0.051 63.230 63.200 -0.035 0.000 0.774 502 S HN 0.235 nan 8.310 nan 0.000 0.510 503 R N 0.248 120.707 120.500 -0.069 0.000 3.569 503 R HA -0.159 4.181 4.340 0.000 0.000 0.372 503 R C 0.628 176.727 176.300 -0.335 0.000 0.548 503 R CA 1.296 57.336 56.100 -0.100 0.000 1.528 503 R CB -2.212 28.101 30.300 0.022 0.000 1.868 503 R HN 0.649 nan 8.270 nan 0.000 0.376 504 A N 0.515 123.134 122.820 -0.334 0.000 2.981 504 A HA 0.624 4.944 4.320 0.000 0.000 0.280 504 A C 0.106 177.258 177.584 -0.721 0.000 1.743 504 A CA 0.708 52.370 52.037 -0.624 0.000 1.430 504 A CB -0.354 18.539 19.000 -0.178 0.000 1.085 504 A HN 0.530 nan 8.150 nan 0.000 0.597 505 A N 1.438 123.602 122.820 -1.094 0.000 2.984 505 A HA 0.653 4.974 4.320 0.000 0.000 0.320 505 A C -0.586 176.671 177.584 -0.544 0.000 1.142 505 A CA -0.311 51.411 52.037 -0.523 0.000 0.772 505 A CB 0.097 18.929 19.000 -0.280 0.000 1.195 505 A HN 0.517 nan 8.150 nan 0.000 0.459 506 F N 0.648 120.351 119.950 -0.411 0.000 2.724 506 F HA 0.150 4.678 4.527 0.000 0.000 0.310 506 F C 1.722 177.021 175.800 -0.836 0.000 1.107 506 F CA 0.502 58.057 58.000 -0.742 0.000 1.218 506 F CB 0.149 38.309 39.000 -1.399 0.000 1.042 506 F HN 0.514 nan 8.300 nan 0.000 0.540 507 T N -2.338 111.882 114.554 -0.556 0.000 2.589 507 T HA 0.814 5.164 4.350 0.000 0.000 0.178 507 T C 0.801 175.067 174.700 -0.722 0.000 0.708 507 T CA 0.149 61.619 62.100 -1.050 0.000 1.734 507 T CB 0.392 68.602 68.868 -1.095 0.000 2.792 507 T HN 0.217 nan 8.240 nan 0.000 0.406 508 G N -0.070 108.339 108.800 -0.652 0.000 2.339 508 G HA2 0.542 4.502 3.960 0.000 0.000 0.302 508 G HA3 0.542 4.502 3.960 0.000 0.000 0.302 508 G C -1.093 173.709 174.900 -0.164 0.000 1.425 508 G CA -0.527 44.466 45.100 -0.179 0.000 0.899 508 G HN 0.909 nan 8.290 nan 0.000 0.619 509 A N -0.194 122.525 122.820 -0.169 0.000 2.440 509 A HA 0.753 5.073 4.320 0.000 0.000 0.251 509 A C -0.591 176.790 177.584 -0.338 0.000 1.089 509 A CA 0.241 52.027 52.037 -0.418 0.000 0.779 509 A CB -0.024 18.149 19.000 -1.379 0.000 1.022 509 A HN 0.834 nan 8.150 nan 0.000 0.492 510 F N 0.696 120.544 119.950 -0.170 0.000 2.556 510 F HA 0.600 5.127 4.527 0.000 0.000 0.327 510 F C 0.183 176.219 175.800 0.394 0.000 1.059 510 F CA -0.678 57.348 58.000 0.044 0.000 0.953 510 F CB 2.339 41.278 39.000 -0.103 0.000 1.227 510 F HN 0.434 nan 8.300 nan 0.000 0.478 511 V N 1.607 121.885 119.914 0.606 0.000 2.588 511 V HA 0.965 5.086 4.120 0.000 0.000 0.304 511 V C -0.625 175.771 176.094 0.503 0.000 1.042 511 V CA 0.093 62.799 62.300 0.676 0.000 0.877 511 V CB 1.247 33.517 31.823 0.745 0.000 0.996 511 V HN 0.908 nan 8.190 nan 0.000 0.425 512 G N 5.232 114.350 108.800 0.529 0.000 2.634 512 G HA2 0.547 4.507 3.960 0.000 0.000 0.309 512 G HA3 0.547 4.507 3.960 0.000 0.000 0.309 512 G C -1.715 173.397 174.900 0.354 0.000 1.299 512 G CA -0.958 44.277 45.100 0.224 0.000 0.798 512 G HN 0.717 nan 8.290 nan 0.000 0.490 513 M N 1.318 120.940 119.600 0.037 0.000 2.243 513 M HA 0.438 4.918 4.480 0.000 0.000 0.324 513 M C -0.892 175.451 176.300 0.072 0.000 1.031 513 M CA -0.738 54.468 55.300 -0.156 0.000 0.949 513 M CB 2.214 34.199 32.600 -1.026 0.000 1.615 513 M HN 0.597 nan 8.290 nan 0.000 0.430 514 H N 1.442 120.561 119.070 0.081 0.000 2.690 514 H HA 0.611 5.167 4.556 0.000 0.000 0.368 514 H C -1.791 173.558 175.328 0.035 0.000 1.150 514 H CA -0.604 55.461 56.048 0.029 0.000 1.174 514 H CB 2.283 31.904 29.762 -0.235 0.000 1.684 514 H HN 0.874 nan 8.280 nan 0.000 0.538 515 C N 5.626 124.764 119.300 -0.270 0.000 2.535 515 C HA 0.537 4.997 4.460 0.000 0.000 0.319 515 C C -0.681 174.184 174.990 -0.207 0.000 1.171 515 C CA -0.642 58.267 59.018 -0.182 0.000 1.394 515 C CB 0.723 28.367 27.740 -0.159 0.000 1.990 515 C HN 0.988 nan 8.230 nan 0.000 0.466 516 R N 3.508 124.006 120.500 -0.003 0.000 2.562 516 R HA 0.574 4.914 4.340 0.000 0.000 0.298 516 R C -1.478 174.875 176.300 0.089 0.000 0.961 516 R CA -0.133 56.010 56.100 0.071 0.000 0.881 516 R CB 1.234 31.633 30.300 0.165 0.000 1.159 516 R HN 0.767 nan 8.270 nan 0.000 0.450 517 D N 3.203 123.648 120.400 0.075 0.000 2.408 517 D HA 0.236 4.877 4.640 0.000 0.000 0.261 517 D C 0.583 176.910 176.300 0.044 0.000 1.190 517 D CA -0.368 53.677 54.000 0.076 0.000 0.910 517 D CB 1.343 42.192 40.800 0.083 0.000 1.097 517 D HN 0.803 nan 8.370 nan 0.000 0.522 518 G N 1.282 110.109 108.800 0.045 0.000 2.679 518 G HA2 -0.153 3.807 3.960 0.000 0.000 0.212 518 G HA3 -0.153 3.807 3.960 0.000 0.000 0.212 518 G C 1.298 176.196 174.900 -0.003 0.000 1.137 518 G CA 0.874 45.993 45.100 0.033 0.000 0.787 518 G HN 0.470 nan 8.290 nan 0.000 0.534 519 S N -0.825 114.857 115.700 -0.031 0.000 2.478 519 S HA 0.346 4.816 4.470 0.000 0.000 0.222 519 S C 1.759 176.332 174.600 -0.046 0.000 1.008 519 S CA 1.013 59.174 58.200 -0.064 0.000 0.928 519 S CB -0.036 63.093 63.200 -0.119 0.000 0.781 519 S HN 1.431 nan 8.310 nan 0.000 0.518 520 G N 1.154 109.940 108.800 -0.024 0.000 2.212 520 G HA2 -0.230 3.730 3.960 0.000 0.000 0.255 520 G HA3 -0.230 3.730 3.960 0.000 0.000 0.255 520 G C 0.212 175.100 174.900 -0.021 0.000 1.062 520 G CA 0.323 45.412 45.100 -0.018 0.000 0.815 520 G HN 0.574 nan 8.290 nan 0.000 0.497 521 Q N -0.531 119.259 119.800 -0.017 0.000 2.247 521 Q HA 0.275 4.615 4.340 0.000 0.000 0.204 521 Q C 1.288 177.306 176.000 0.031 0.000 0.872 521 Q CA 0.189 55.982 55.803 -0.018 0.000 0.951 521 Q CB 0.219 28.923 28.738 -0.057 0.000 1.099 521 Q HN 0.663 nan 8.270 nan 0.000 0.501 522 N N 1.436 120.177 118.700 0.068 0.000 2.747 522 N HA -0.178 4.562 4.740 0.000 0.000 0.249 522 N C -0.629 175.061 175.510 0.300 0.000 1.107 522 N CA -0.243 52.905 53.050 0.164 0.000 0.707 522 N CB -0.418 38.126 38.487 0.095 0.000 1.054 522 N HN 0.239 nan 8.380 nan 0.000 0.555 523 N N 0.611 119.416 118.700 0.175 0.000 2.482 523 N HA 0.206 4.946 4.740 0.000 0.000 0.260 523 N C -0.677 174.963 175.510 0.217 0.000 1.236 523 N CA 0.591 53.703 53.050 0.104 0.000 0.938 523 N CB 0.394 38.873 38.487 -0.015 0.000 1.128 523 N HN 0.322 nan 8.380 nan 0.000 0.448 524 Y N -1.231 119.143 120.300 0.123 0.000 2.615 524 Y HA 0.807 5.357 4.550 0.000 0.000 0.341 524 Y C -1.219 174.714 175.900 0.055 0.000 1.089 524 Y CA -1.601 56.468 58.100 -0.051 0.000 1.049 524 Y CB 0.724 38.893 38.460 -0.484 0.000 1.296 524 Y HN 0.468 nan 8.280 nan 0.000 0.470 525 A N 1.415 124.267 122.820 0.052 0.000 2.355 525 A HA 0.618 4.938 4.320 0.000 0.000 0.317 525 A C -1.619 175.873 177.584 -0.153 0.000 1.094 525 A CA -0.751 51.203 52.037 -0.139 0.000 0.764 525 A CB 0.827 19.478 19.000 -0.581 0.000 1.230 525 A HN 0.715 nan 8.150 nan 0.000 0.448 526 D N 1.754 122.061 120.400 -0.155 0.000 2.329 526 D HA 0.459 5.099 4.640 0.000 0.000 0.232 526 D C -1.239 175.045 176.300 -0.026 0.000 1.088 526 D CA 0.486 54.476 54.000 -0.016 0.000 0.835 526 D CB 0.836 41.647 40.800 0.018 0.000 1.078 526 D HN 0.322 nan 8.370 nan 0.000 0.495 527 F N 1.458 121.533 119.950 0.208 0.000 2.385 527 F HA 0.114 4.641 4.527 0.000 0.000 0.360 527 F C 1.619 177.611 175.800 0.320 0.000 1.122 527 F CA -0.750 57.389 58.000 0.232 0.000 1.090 527 F CB 1.405 40.508 39.000 0.170 0.000 1.150 527 F HN 0.185 nan 8.300 nan 0.000 0.472 528 D N 2.732 123.308 120.400 0.294 0.000 2.149 528 D HA -0.105 4.535 4.640 0.000 0.000 0.201 528 D C -0.315 176.114 176.300 0.215 0.000 0.972 528 D CA 1.562 55.538 54.000 -0.040 0.000 0.835 528 D CB 0.209 40.854 40.800 -0.258 0.000 0.966 528 D HN 0.422 nan 8.370 nan 0.000 0.476 529 Y N -3.028 117.409 120.300 0.229 0.000 2.638 529 Y HA 0.541 5.091 4.550 0.000 0.000 0.335 529 Y C -1.866 174.137 175.900 0.171 0.000 1.155 529 Y CA -2.022 56.074 58.100 -0.007 0.000 1.046 529 Y CB 0.588 39.023 38.460 -0.042 0.000 1.303 529 Y HN -0.188 nan 8.280 nan 0.000 0.460 530 F N 3.833 123.805 119.950 0.038 0.000 2.536 530 F HA 0.672 5.199 4.527 0.000 0.000 0.322 530 F C -1.931 174.062 175.800 0.322 0.000 1.144 530 F CA -1.146 57.014 58.000 0.266 0.000 0.924 530 F CB 1.629 40.845 39.000 0.360 0.000 1.181 530 F HN 0.698 nan 8.300 nan 0.000 0.438 531 L N 8.158 129.275 121.223 -0.178 0.000 2.322 531 L HA 0.550 4.890 4.340 0.000 0.000 0.281 531 L C -2.309 174.448 176.870 -0.189 0.000 1.014 531 L CA -1.088 53.718 54.840 -0.056 0.000 0.815 531 L CB 1.000 43.091 42.059 0.054 0.000 1.247 531 L HN 0.659 nan 8.230 nan 0.000 0.421 532 Y N 4.998 125.261 120.300 -0.061 0.000 2.354 532 Y HA 0.585 5.135 4.550 0.000 0.000 0.330 532 Y C -1.110 174.817 175.900 0.044 0.000 1.011 532 Y CA -0.564 57.521 58.100 -0.025 0.000 1.099 532 Y CB 1.126 39.594 38.460 0.013 0.000 1.179 532 Y HN 0.779 nan 8.280 nan 0.000 0.442 533 K N 5.913 126.024 120.400 -0.483 0.000 2.535 533 K HA 0.216 4.536 4.320 0.000 0.000 0.250 533 K C -1.244 175.083 176.600 -0.456 0.000 0.948 533 K CA -0.644 55.435 56.287 -0.345 0.000 0.796 533 K CB 1.663 34.053 32.500 -0.182 0.000 1.216 533 K HN 0.884 nan 8.250 nan 0.000 0.432 534 E N 5.182 125.114 120.200 -0.447 0.000 2.392 534 E HA 0.117 4.467 4.350 0.000 0.000 0.264 534 E C -0.806 175.663 176.600 -0.218 0.000 1.024 534 E CA -0.132 56.014 56.400 -0.424 0.000 0.903 534 E CB 0.641 29.928 29.700 -0.688 0.000 0.963 534 E HN 0.447 nan 8.360 nan 0.000 0.432 535 L N 0.000 121.154 121.223 -0.115 0.000 2.949 535 L HA 0.000 4.340 4.340 0.000 0.000 0.249 535 L CA 0.000 54.790 54.840 -0.083 0.000 0.813 535 L CB 0.000 42.021 42.059 -0.064 0.000 0.961 535 L HN 0.000 nan 8.230 nan 0.000 0.502