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 1fmt_1_A DATA FIRST_RESID 1 DATA SEQUENCE SESLRIIFAG TPDFAARHLD ALLSSGHNVV GVFTQPDRPX XXXXXLMPSP DATA SEQUENCE VKVLAEEKGL PVFQPVSLRP QENQQLVAEL QADVMVVVAY GLILPKAVLE DATA SEQUENCE MPRLGCINVH GSLLPRWRGA APIQRSLWAG DAETGVTIMQ MDVGLDTGDM DATA SEQUENCE LYKLSCPITA EDTSGTLYDK LAELGPQGLI TTLKQLADGT AKPEVQDETL DATA SEQUENCE VTYAEKLSKE EARIDWSLSA AQLERCIRAF NPWPMSWLEI EGQPVKVWKA DATA SEQUENCE SVIDTATNAA PGTILEANKQ GIQVATGDGI LNLLSLQPAG KKAMSAQDLL DATA SEQUENCE NSRREWFVPG NRLV 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.610 174.600 0.016 0.000 1.055 1 S CA 0.000 58.207 58.200 0.012 0.000 1.107 1 S CB 0.000 63.204 63.200 0.007 0.000 0.593 2 E N 2.268 122.479 120.200 0.019 0.000 2.194 2 E HA 0.387 4.737 4.350 -0.000 0.000 0.284 2 E C -0.573 176.048 176.600 0.034 0.000 1.035 2 E CA 0.050 56.463 56.400 0.021 0.000 0.836 2 E CB 0.793 30.503 29.700 0.017 0.000 1.070 2 E HN 0.120 nan 8.360 nan 0.000 0.401 3 S N 5.085 120.806 115.700 0.035 0.000 2.448 3 S HA 0.263 4.733 4.470 -0.000 0.000 0.279 3 S C -0.177 174.453 174.600 0.050 0.000 1.195 3 S CA -0.625 57.607 58.200 0.053 0.000 1.051 3 S CB 0.022 63.246 63.200 0.040 0.000 0.948 3 S HN 0.441 nan 8.310 nan 0.000 0.493 4 L N 5.662 126.923 121.223 0.063 0.000 2.334 4 L HA 0.526 4.866 4.340 -0.000 0.000 0.277 4 L C 0.695 177.596 176.870 0.052 0.000 1.075 4 L CA -0.724 54.142 54.840 0.044 0.000 0.804 4 L CB 0.746 42.821 42.059 0.027 0.000 1.174 4 L HN 0.460 nan 8.230 nan 0.000 0.438 5 R N 3.784 124.309 120.500 0.041 0.000 2.234 5 R HA 0.525 4.865 4.340 -0.000 0.000 0.324 5 R C -0.836 175.493 176.300 0.048 0.000 1.054 5 R CA -0.269 55.861 56.100 0.050 0.000 0.912 5 R CB 0.679 31.005 30.300 0.043 0.000 1.030 5 R HN 0.508 nan 8.270 nan 0.000 0.455 6 I N 4.318 124.928 120.570 0.066 0.000 2.441 6 I HA 0.371 4.541 4.170 -0.000 0.000 0.295 6 I C 0.076 176.258 176.117 0.108 0.000 0.994 6 I CA -0.852 60.489 61.300 0.068 0.000 1.144 6 I CB 1.868 39.909 38.000 0.067 0.000 1.314 6 I HN 0.397 nan 8.210 nan 0.000 0.445 7 I N 5.552 126.174 120.570 0.088 0.000 2.359 7 I HA 0.283 4.453 4.170 -0.000 0.000 0.294 7 I C -0.825 175.373 176.117 0.135 0.000 0.987 7 I CA -0.495 60.885 61.300 0.134 0.000 1.225 7 I CB 1.457 39.480 38.000 0.037 0.000 1.366 7 I HN 0.394 nan 8.210 nan 0.000 0.466 8 F N 6.607 126.593 119.950 0.060 0.000 2.427 8 F HA 0.726 5.253 4.527 -0.000 0.000 0.346 8 F C -0.221 175.566 175.800 -0.022 0.000 1.120 8 F CA -0.505 57.499 58.000 0.006 0.000 1.033 8 F CB 1.176 40.192 39.000 0.026 0.000 1.126 8 F HN 0.427 nan 8.300 nan 0.000 0.462 9 A N 4.509 126.868 122.820 -0.768 0.000 2.311 9 A HA 0.861 5.181 4.320 -0.000 0.000 0.306 9 A C -0.421 176.654 177.584 -0.848 0.000 1.189 9 A CA 0.034 51.588 52.037 -0.805 0.000 0.791 9 A CB 0.610 18.998 19.000 -1.019 0.000 1.172 9 A HN 1.269 nan 8.150 nan 0.000 0.481 10 G N -0.007 108.551 108.800 -0.404 0.000 2.523 10 G HA2 0.524 4.484 3.960 -0.000 0.000 0.291 10 G HA3 0.524 4.484 3.960 -0.000 0.000 0.291 10 G C -0.262 174.774 174.900 0.228 0.000 1.450 10 G CA 0.402 45.468 45.100 -0.056 0.000 0.790 10 G HN 0.549 nan 8.290 nan 0.000 0.496 11 T N 0.338 115.043 114.554 0.252 0.000 3.280 11 T HA 0.400 4.750 4.350 -0.000 0.000 0.256 11 T C -1.987 172.827 174.700 0.190 0.000 0.995 11 T CA 0.468 62.704 62.100 0.226 0.000 1.144 11 T CB 0.470 69.458 68.868 0.199 0.000 1.140 11 T HN 0.527 nan 8.240 nan 0.000 0.423 12 P HA 0.212 nan 4.420 nan 0.000 0.277 12 P C 0.069 177.498 177.300 0.215 0.000 1.276 12 P CA 0.151 63.356 63.100 0.176 0.000 0.788 12 P CB 0.873 32.677 31.700 0.174 0.000 1.114 13 D N -0.863 119.649 120.400 0.187 0.000 2.149 13 D HA -0.216 4.424 4.640 -0.000 0.000 0.198 13 D C 1.637 178.096 176.300 0.266 0.000 0.990 13 D CA 1.166 55.276 54.000 0.184 0.000 0.839 13 D CB -0.693 40.192 40.800 0.142 0.000 0.948 13 D HN 0.267 nan 8.370 nan 0.000 0.460 14 F N 0.848 120.918 119.950 0.201 0.000 2.126 14 F HA -0.138 4.389 4.527 0.000 0.000 0.299 14 F C 2.124 178.127 175.800 0.339 0.000 1.096 14 F CA 1.773 59.941 58.000 0.280 0.000 1.255 14 F CB -0.604 38.583 39.000 0.311 0.000 0.997 14 F HN 0.030 nan 8.300 nan 0.000 0.479 15 A N 0.278 123.303 122.820 0.342 0.000 1.898 15 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 15 A C 2.412 180.212 177.584 0.361 0.000 1.181 15 A CA 1.620 53.858 52.037 0.335 0.000 0.620 15 A CB -1.564 17.649 19.000 0.355 0.000 0.819 15 A HN 0.494 nan 8.150 nan 0.000 0.442 16 A N -0.383 122.573 122.820 0.227 0.000 1.940 16 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 16 A C 2.164 179.754 177.584 0.009 0.000 1.176 16 A CA 1.490 53.579 52.037 0.086 0.000 0.631 16 A CB -0.452 18.596 19.000 0.081 0.000 0.814 16 A HN 0.383 nan 8.150 nan 0.000 0.446 17 R N -0.698 119.828 120.500 0.043 0.000 2.120 17 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 17 R C 1.824 178.054 176.300 -0.117 0.000 1.123 17 R CA 1.851 57.923 56.100 -0.046 0.000 0.975 17 R CB -0.900 29.351 30.300 -0.081 0.000 0.866 17 R HN 0.768 nan 8.270 nan 0.000 0.446 18 H N -0.022 118.963 119.070 -0.142 0.000 2.403 18 H HA -0.033 4.523 4.556 -0.000 0.000 0.298 18 H C 1.742 176.910 175.328 -0.268 0.000 1.059 18 H CA 0.945 56.926 56.048 -0.112 0.000 1.363 18 H CB -0.155 29.642 29.762 0.060 0.000 1.410 18 H HN -0.005 nan 8.280 nan 0.000 0.528 19 L N 0.806 121.745 121.223 -0.474 0.000 2.056 19 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 19 L C 1.778 178.445 176.870 -0.339 0.000 1.078 19 L CA 1.937 56.282 54.840 -0.825 0.000 0.749 19 L CB -0.663 40.764 42.059 -1.052 0.000 0.901 19 L HN 0.192 nan 8.230 nan 0.000 0.433 20 D N -0.736 119.535 120.400 -0.216 0.000 2.149 20 D HA -0.205 4.435 4.640 -0.000 0.000 0.198 20 D C 2.095 178.339 176.300 -0.094 0.000 0.990 20 D CA 1.390 55.314 54.000 -0.126 0.000 0.839 20 D CB 0.024 40.771 40.800 -0.088 0.000 0.948 20 D HN 0.479 nan 8.370 nan 0.000 0.460 21 A N -0.181 122.581 122.820 -0.097 0.000 1.930 21 A HA -0.054 4.265 4.320 -0.000 0.000 0.217 21 A C 2.311 179.914 177.584 0.031 0.000 1.175 21 A CA 0.843 52.849 52.037 -0.053 0.000 0.627 21 A CB -0.700 18.248 19.000 -0.088 0.000 0.815 21 A HN 0.349 nan 8.150 nan 0.000 0.443 22 L N -0.650 120.600 121.223 0.046 0.000 2.056 22 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 22 L C 2.541 179.531 176.870 0.200 0.000 1.078 22 L CA 0.992 55.987 54.840 0.258 0.000 0.749 22 L CB -0.524 41.565 42.059 0.050 0.000 0.901 22 L HN 0.379 nan 8.230 nan 0.000 0.433 23 L N -1.163 120.074 121.223 0.023 0.000 2.005 23 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 23 L C 2.680 179.524 176.870 -0.043 0.000 1.072 23 L CA 1.117 55.949 54.840 -0.014 0.000 0.744 23 L CB -0.654 41.376 42.059 -0.047 0.000 0.895 23 L HN 0.129 nan 8.230 nan 0.000 0.433 24 S N -0.125 115.548 115.700 -0.045 0.000 2.420 24 S HA -0.143 4.327 4.470 -0.000 0.000 0.237 24 S C 1.675 176.224 174.600 -0.085 0.000 1.023 24 S CA 1.511 59.677 58.200 -0.056 0.000 0.991 24 S CB -0.328 62.844 63.200 -0.046 0.000 0.792 24 S HN 0.593 nan 8.310 nan 0.000 0.488 25 S N 0.324 115.951 115.700 -0.122 0.000 2.573 25 S HA 0.481 4.951 4.470 -0.000 0.000 0.244 25 S C 1.023 175.361 174.600 -0.435 0.000 0.984 25 S CA 0.076 58.134 58.200 -0.237 0.000 1.001 25 S CB -0.011 63.074 63.200 -0.192 0.000 0.788 25 S HN 0.627 nan 8.310 nan 0.000 0.456 26 G N 2.131 110.771 108.800 -0.267 0.000 2.323 26 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.292 26 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.292 26 G C -0.145 174.602 174.900 -0.256 0.000 1.040 26 G CA 0.018 44.987 45.100 -0.218 0.000 0.942 26 G HN 0.690 nan 8.290 nan 0.000 0.506 27 H N -0.455 118.605 119.070 -0.016 0.000 2.511 27 H HA 0.297 4.853 4.556 0.000 0.000 0.346 27 H C 0.504 175.833 175.328 0.002 0.000 1.128 27 H CA -0.633 55.412 56.048 -0.005 0.000 1.342 27 H CB 1.190 30.950 29.762 -0.003 0.000 1.470 27 H HN 0.201 nan 8.280 nan 0.000 0.546 28 N N 2.634 121.427 118.700 0.154 0.000 2.807 28 N HA 0.038 4.778 4.740 -0.000 0.000 0.259 28 N C -1.199 174.370 175.510 0.097 0.000 1.149 28 N CA -0.166 52.940 53.050 0.094 0.000 1.042 28 N CB -0.268 38.261 38.487 0.071 0.000 1.367 28 N HN 0.213 nan 8.380 nan 0.000 0.516 29 V N 4.015 123.986 119.914 0.095 0.000 2.372 29 V HA 0.018 4.138 4.120 -0.000 0.000 0.261 29 V C 1.676 177.832 176.094 0.104 0.000 1.055 29 V CA -0.349 62.012 62.300 0.103 0.000 0.930 29 V CB 0.749 32.622 31.823 0.082 0.000 1.031 29 V HN 0.521 nan 8.190 nan 0.000 0.479 30 V N 2.605 122.592 119.914 0.122 0.000 3.306 30 V HA 0.526 4.645 4.120 -0.000 0.000 0.264 30 V C 0.804 177.018 176.094 0.200 0.000 1.149 30 V CA 1.188 63.567 62.300 0.132 0.000 1.143 30 V CB -0.300 31.590 31.823 0.112 0.000 0.767 30 V HN 0.862 nan 8.190 nan 0.000 0.476 31 G N -1.213 107.739 108.800 0.254 0.000 2.579 31 G HA2 0.547 4.506 3.960 -0.000 0.000 0.292 31 G HA3 0.547 4.506 3.960 -0.000 0.000 0.292 31 G C -1.861 173.269 174.900 0.384 0.000 1.484 31 G CA -0.154 45.183 45.100 0.395 0.000 0.813 31 G HN 0.346 nan 8.290 nan 0.000 0.515 32 V N 0.775 120.879 119.914 0.316 0.000 2.531 32 V HA 0.628 4.747 4.120 -0.000 0.000 0.301 32 V C -1.171 175.077 176.094 0.256 0.000 1.034 32 V CA -0.682 61.803 62.300 0.308 0.000 0.865 32 V CB 1.496 33.427 31.823 0.180 0.000 0.995 32 V HN 0.586 nan 8.190 nan 0.000 0.424 33 F N 2.849 122.845 119.950 0.077 0.000 2.427 33 F HA 0.752 5.279 4.527 -0.000 0.000 0.346 33 F C 0.717 176.470 175.800 -0.078 0.000 1.120 33 F CA -0.264 57.737 58.000 0.001 0.000 1.033 33 F CB 2.203 41.063 39.000 -0.233 0.000 1.126 33 F HN 0.561 nan 8.300 nan 0.000 0.462 34 T N 0.160 114.879 114.554 0.275 0.000 2.864 34 T HA 0.449 4.799 4.350 -0.000 0.000 0.289 34 T C -0.666 174.290 174.700 0.426 0.000 1.082 34 T CA -1.232 61.075 62.100 0.345 0.000 1.009 34 T CB 1.457 70.445 68.868 0.201 0.000 1.234 34 T HN 0.400 nan 8.240 nan 0.000 0.526 35 Q N 1.198 121.189 119.800 0.320 0.000 2.373 35 Q HA 0.303 4.642 4.340 -0.000 0.000 0.255 35 Q C -2.352 173.715 176.000 0.113 0.000 0.980 35 Q CA -1.583 54.319 55.803 0.165 0.000 0.882 35 Q CB 0.178 28.956 28.738 0.066 0.000 1.249 35 Q HN 0.344 nan 8.270 nan 0.000 0.438 36 P HA -0.134 nan 4.420 nan 0.000 0.269 36 P C -1.065 176.255 177.300 0.033 0.000 1.211 36 P CA 0.127 63.257 63.100 0.050 0.000 0.781 36 P CB 0.450 32.171 31.700 0.035 0.000 0.877 37 D N 1.248 121.661 120.400 0.022 0.000 2.488 37 D HA 0.033 4.673 4.640 -0.000 0.000 0.238 37 D C 0.597 176.900 176.300 0.006 0.000 1.138 37 D CA 0.624 54.632 54.000 0.013 0.000 0.873 37 D CB 0.229 41.033 40.800 0.007 0.000 1.183 37 D HN 0.192 nan 8.370 nan 0.000 0.458 38 R N 2.512 123.014 120.500 0.002 0.000 2.598 38 R HA 0.389 4.729 4.340 -0.000 0.000 0.279 38 R C -2.351 173.944 176.300 -0.009 0.000 0.984 38 R CA -1.700 54.396 56.100 -0.007 0.000 0.999 38 R CB 0.932 31.224 30.300 -0.012 0.000 1.114 38 R HN 0.147 nan 8.270 nan 0.000 0.493 47 M N 5.447 125.047 119.600 -0.001 0.000 2.200 47 M HA 0.450 4.930 4.480 -0.000 0.000 0.355 47 M C -2.293 174.011 176.300 0.006 0.000 1.283 47 M CA -2.263 53.038 55.300 0.002 0.000 1.124 47 M CB 0.241 32.841 32.600 0.000 0.000 1.625 47 M HN 0.251 nan 8.290 nan 0.000 0.463 48 P HA 0.237 nan 4.420 nan 0.000 0.288 48 P C -0.578 176.737 177.300 0.025 0.000 1.267 48 P CA -0.446 62.663 63.100 0.015 0.000 0.815 48 P CB 0.791 32.495 31.700 0.007 0.000 0.989 49 S N 2.593 118.317 115.700 0.040 0.000 2.593 49 S HA 0.214 4.684 4.470 -0.000 0.000 0.269 49 S C -1.702 172.933 174.600 0.059 0.000 1.334 49 S CA -0.867 57.367 58.200 0.057 0.000 1.015 49 S CB -0.157 63.095 63.200 0.086 0.000 0.912 49 S HN 0.253 nan 8.310 nan 0.000 0.541 50 P HA -0.044 nan 4.420 nan 0.000 0.219 50 P C 1.351 178.694 177.300 0.073 0.000 1.146 50 P CA 0.526 63.666 63.100 0.065 0.000 0.808 50 P CB -0.032 31.717 31.700 0.081 0.000 0.779 51 V N 0.042 120.021 119.914 0.109 0.000 2.407 51 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 51 V C 2.479 178.623 176.094 0.082 0.000 1.041 51 V CA 1.460 63.837 62.300 0.129 0.000 1.040 51 V CB -0.833 31.136 31.823 0.243 0.000 0.671 51 V HN 0.117 nan 8.190 nan 0.000 0.455 52 K N 0.349 120.792 120.400 0.071 0.000 2.025 52 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 52 K C 2.120 178.725 176.600 0.009 0.000 1.049 52 K CA 1.469 57.775 56.287 0.032 0.000 0.933 52 K CB -0.294 32.223 32.500 0.028 0.000 0.714 52 K HN 0.347 nan 8.250 nan 0.000 0.438 53 V N 2.000 121.923 119.914 0.015 0.000 2.287 53 V HA -0.277 3.842 4.120 -0.000 0.000 0.248 53 V C 2.509 178.599 176.094 -0.005 0.000 1.053 53 V CA 1.745 64.047 62.300 0.003 0.000 1.027 53 V CB -0.512 31.317 31.823 0.010 0.000 0.646 53 V HN 0.315 nan 8.190 nan 0.000 0.447 54 L N 0.718 121.940 121.223 -0.003 0.000 2.056 54 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 54 L C 2.445 179.296 176.870 -0.031 0.000 1.078 54 L CA 2.307 57.135 54.840 -0.020 0.000 0.749 54 L CB -0.993 41.048 42.059 -0.029 0.000 0.901 54 L HN 0.216 nan 8.230 nan 0.000 0.433 55 A N -0.656 122.149 122.820 -0.026 0.000 1.883 55 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 55 A C 2.167 179.726 177.584 -0.042 0.000 1.186 55 A CA 1.980 53.997 52.037 -0.033 0.000 0.624 55 A CB -0.709 18.279 19.000 -0.021 0.000 0.822 55 A HN 0.617 nan 8.150 nan 0.000 0.444 56 E N -0.789 119.387 120.200 -0.041 0.000 2.038 56 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 56 E C 2.101 178.680 176.600 -0.035 0.000 1.000 56 E CA 1.281 57.654 56.400 -0.044 0.000 0.803 56 E CB -0.249 29.427 29.700 -0.039 0.000 0.750 56 E HN 0.823 nan 8.360 nan 0.000 0.448 57 E N 0.746 120.929 120.200 -0.028 0.000 2.219 57 E HA -0.219 4.131 4.350 -0.000 0.000 0.198 57 E C 1.277 177.861 176.600 -0.027 0.000 0.998 57 E CA 0.978 57.364 56.400 -0.025 0.000 0.818 57 E CB 0.230 29.917 29.700 -0.021 0.000 0.741 57 E HN -0.023 nan 8.360 nan 0.000 0.477 58 K N -0.700 119.681 120.400 -0.031 0.000 2.374 58 K HA 0.104 4.424 4.320 -0.000 0.000 0.196 58 K C 0.843 177.425 176.600 -0.029 0.000 1.023 58 K CA 0.690 56.959 56.287 -0.031 0.000 1.103 58 K CB 0.872 33.350 32.500 -0.036 0.000 0.848 58 K HN 0.257 nan 8.250 nan 0.000 0.528 59 G N 2.142 110.922 108.800 -0.034 0.000 2.225 59 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.264 59 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.264 59 G C -0.157 174.720 174.900 -0.039 0.000 1.060 59 G CA 0.036 45.115 45.100 -0.036 0.000 0.833 59 G HN 0.192 nan 8.290 nan 0.000 0.498 60 L N 0.746 121.940 121.223 -0.048 0.000 2.334 60 L HA 0.575 4.915 4.340 -0.000 0.000 0.275 60 L C -1.474 175.330 176.870 -0.109 0.000 1.036 60 L CA -2.383 52.428 54.840 -0.048 0.000 0.807 60 L CB 1.646 43.690 42.059 -0.025 0.000 1.231 60 L HN 0.002 nan 8.230 nan 0.000 0.438 61 P HA 0.182 nan 4.420 nan 0.000 0.281 61 P C -0.931 176.026 177.300 -0.572 0.000 1.252 61 P CA -0.212 62.676 63.100 -0.355 0.000 0.778 61 P CB 1.558 33.090 31.700 -0.280 0.000 0.895 62 V N 4.223 123.721 119.914 -0.694 0.000 2.547 62 V HA 0.480 4.600 4.120 -0.000 0.000 0.299 62 V C -0.208 175.290 176.094 -0.994 0.000 1.040 62 V CA -0.355 61.581 62.300 -0.606 0.000 0.913 62 V CB 1.029 32.683 31.823 -0.282 0.000 0.992 62 V HN 0.367 nan 8.190 nan 0.000 0.449 63 F N 1.919 121.649 119.950 -0.367 0.000 2.547 63 F HA 0.551 5.077 4.527 -0.000 0.000 0.316 63 F C 0.320 175.937 175.800 -0.306 0.000 1.121 63 F CA -0.562 57.138 58.000 -0.501 0.000 0.911 63 F CB 2.049 40.352 39.000 -1.163 0.000 1.179 63 F HN 0.388 nan 8.300 nan 0.000 0.443 64 Q N 3.429 123.250 119.800 0.035 0.000 2.470 64 Q HA 0.234 4.574 4.340 -0.000 0.000 0.389 64 Q C -2.599 173.487 176.000 0.144 0.000 0.888 64 Q CA -1.806 54.066 55.803 0.115 0.000 1.106 64 Q CB 0.951 29.730 28.738 0.067 0.000 1.368 64 Q HN 0.275 nan 8.270 nan 0.000 0.403 65 P HA -0.042 nan 4.420 nan 0.000 0.266 65 P C 0.832 178.213 177.300 0.135 0.000 1.195 65 P CA 0.141 63.343 63.100 0.170 0.000 0.768 65 P CB 1.551 33.390 31.700 0.231 0.000 0.838 66 V N 1.089 121.050 119.914 0.079 0.000 2.809 66 V HA -0.043 4.077 4.120 -0.000 0.000 0.256 66 V C 1.384 177.494 176.094 0.026 0.000 1.080 66 V CA 1.691 64.016 62.300 0.042 0.000 1.102 66 V CB -0.478 31.360 31.823 0.024 0.000 0.705 66 V HN 0.786 nan 8.190 nan 0.000 0.475 67 S N -1.698 114.031 115.700 0.048 0.000 2.550 67 S HA 0.554 5.024 4.470 -0.000 0.000 0.270 67 S C -0.478 174.159 174.600 0.061 0.000 1.145 67 S CA -0.625 57.594 58.200 0.031 0.000 0.852 67 S CB 1.866 65.073 63.200 0.012 0.000 1.119 67 S HN 0.072 nan 8.310 nan 0.000 0.465 68 L N 3.144 124.395 121.223 0.046 0.000 2.640 68 L HA 0.382 4.722 4.340 -0.000 0.000 0.230 68 L C 2.275 179.160 176.870 0.024 0.000 1.123 68 L CA -0.040 54.832 54.840 0.053 0.000 0.900 68 L CB -0.089 42.000 42.059 0.050 0.000 1.146 68 L HN 0.717 nan 8.230 nan 0.000 0.484 69 R N 1.462 121.971 120.500 0.015 0.000 2.073 69 R HA -0.039 4.301 4.340 -0.000 0.000 0.234 69 R C -1.337 174.969 176.300 0.010 0.000 1.134 69 R CA 0.620 56.724 56.100 0.006 0.000 0.952 69 R CB -0.913 29.388 30.300 0.001 0.000 0.850 69 R HN 0.120 nan 8.270 nan 0.000 0.433 70 P HA -0.033 nan 4.420 nan 0.000 0.264 70 P C -0.640 176.671 177.300 0.019 0.000 1.193 70 P CA 0.534 63.645 63.100 0.018 0.000 0.763 70 P CB 0.821 32.537 31.700 0.026 0.000 0.810 71 Q N 2.153 121.960 119.800 0.012 0.000 2.364 71 Q HA -0.229 4.111 4.340 -0.000 0.000 0.209 71 Q C 1.731 177.739 176.000 0.013 0.000 0.977 71 Q CA 1.177 56.985 55.803 0.009 0.000 0.885 71 Q CB 0.098 28.838 28.738 0.005 0.000 0.941 71 Q HN 0.581 nan 8.270 nan 0.000 0.464 72 E N 0.169 120.381 120.200 0.019 0.000 2.072 72 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 72 E C 1.414 178.033 176.600 0.032 0.000 0.985 72 E CA 1.035 57.449 56.400 0.022 0.000 0.801 72 E CB 0.171 29.886 29.700 0.025 0.000 0.750 72 E HN 0.324 nan 8.360 nan 0.000 0.452 73 N N 0.543 119.271 118.700 0.047 0.000 2.216 73 N HA -0.114 4.626 4.740 -0.000 0.000 0.183 73 N C 1.808 177.364 175.510 0.077 0.000 1.017 73 N CA 0.966 54.064 53.050 0.081 0.000 0.861 73 N CB -0.163 38.383 38.487 0.098 0.000 0.986 73 N HN 0.340 nan 8.380 nan 0.000 0.428 74 Q N 0.729 120.551 119.800 0.037 0.000 2.124 74 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 74 Q C 1.970 177.966 176.000 -0.007 0.000 0.977 74 Q CA 0.939 56.745 55.803 0.005 0.000 0.850 74 Q CB -0.144 28.591 28.738 -0.005 0.000 0.901 74 Q HN 0.456 nan 8.270 nan 0.000 0.429 75 Q N 1.053 120.853 119.800 0.000 0.000 2.226 75 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 75 Q C 1.944 177.930 176.000 -0.024 0.000 0.975 75 Q CA 0.780 56.576 55.803 -0.011 0.000 0.866 75 Q CB 0.002 28.738 28.738 -0.004 0.000 0.915 75 Q HN 0.452 nan 8.270 nan 0.000 0.440 76 L N -0.073 121.140 121.223 -0.017 0.000 2.131 76 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 76 L C 2.351 179.182 176.870 -0.064 0.000 1.092 76 L CA 0.638 55.423 54.840 -0.092 0.000 0.759 76 L CB -0.300 41.698 42.059 -0.101 0.000 0.903 76 L HN 0.091 nan 8.230 nan 0.000 0.435 77 V N -0.255 119.653 119.914 -0.009 0.000 2.407 77 V HA -0.162 3.958 4.120 -0.000 0.000 0.245 77 V C 2.705 178.759 176.094 -0.067 0.000 1.041 77 V CA 1.558 63.806 62.300 -0.087 0.000 1.040 77 V CB -0.575 31.126 31.823 -0.203 0.000 0.671 77 V HN 0.435 nan 8.190 nan 0.000 0.455 78 A N -0.218 122.571 122.820 -0.052 0.000 1.877 78 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 78 A C 2.156 179.723 177.584 -0.028 0.000 1.186 78 A CA 1.888 53.903 52.037 -0.037 0.000 0.620 78 A CB -0.516 18.467 19.000 -0.028 0.000 0.822 78 A HN 0.592 nan 8.150 nan 0.000 0.443 79 E N -0.144 120.036 120.200 -0.032 0.000 2.085 79 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 79 E C 1.718 178.311 176.600 -0.012 0.000 0.994 79 E CA 1.210 57.597 56.400 -0.023 0.000 0.801 79 E CB -0.351 29.330 29.700 -0.032 0.000 0.743 79 E HN 0.635 nan 8.360 nan 0.000 0.453 80 L N 0.822 122.033 121.223 -0.020 0.000 2.549 80 L HA -0.122 4.218 4.340 -0.000 0.000 0.229 80 L C 0.283 177.166 176.870 0.022 0.000 1.158 80 L CA 0.217 55.067 54.840 0.016 0.000 0.842 80 L CB -0.297 41.785 42.059 0.038 0.000 0.952 80 L HN 0.131 nan 8.230 nan 0.000 0.452 81 Q N -0.560 119.243 119.800 0.005 0.000 2.423 81 Q HA -0.204 4.136 4.340 -0.000 0.000 0.332 81 Q C 0.320 176.326 176.000 0.010 0.000 1.355 81 Q CA 0.973 56.779 55.803 0.005 0.000 0.947 81 Q CB -1.632 27.112 28.738 0.010 0.000 1.189 81 Q HN 0.506 nan 8.270 nan 0.000 0.418 82 A N 0.085 122.907 122.820 0.005 0.000 2.351 82 A HA 0.262 4.582 4.320 -0.000 0.000 0.257 82 A C 1.039 178.622 177.584 -0.001 0.000 1.087 82 A CA -0.147 51.895 52.037 0.008 0.000 0.798 82 A CB 0.476 19.477 19.000 0.003 0.000 1.033 82 A HN 0.213 nan 8.150 nan 0.000 0.488 83 D N -0.551 119.852 120.400 0.005 0.000 2.213 83 D HA 0.122 4.762 4.640 -0.000 0.000 0.205 83 D C 0.120 176.414 176.300 -0.010 0.000 0.961 83 D CA 1.405 55.405 54.000 -0.000 0.000 0.853 83 D CB 0.659 41.463 40.800 0.007 0.000 0.967 83 D HN 0.264 nan 8.370 nan 0.000 0.496 84 V N 0.432 120.338 119.914 -0.012 0.000 3.077 84 V HA 0.368 4.488 4.120 -0.000 0.000 0.299 84 V C -1.865 174.209 176.094 -0.034 0.000 1.276 84 V CA -0.848 61.437 62.300 -0.025 0.000 0.993 84 V CB 2.569 34.379 31.823 -0.022 0.000 1.076 84 V HN -0.058 nan 8.190 nan 0.000 0.434 85 M N 5.939 125.502 119.600 -0.061 0.000 2.167 85 M HA 0.678 5.158 4.480 -0.000 0.000 0.333 85 M C -1.696 174.543 176.300 -0.101 0.000 1.030 85 M CA -0.500 54.742 55.300 -0.096 0.000 0.963 85 M CB 1.551 34.056 32.600 -0.159 0.000 1.589 85 M HN 0.514 nan 8.290 nan 0.000 0.431 86 V N 6.045 125.899 119.914 -0.100 0.000 2.383 86 V HA 0.395 4.515 4.120 -0.000 0.000 0.275 86 V C -0.490 175.410 176.094 -0.323 0.000 1.036 86 V CA -0.596 61.632 62.300 -0.119 0.000 0.889 86 V CB 1.347 33.187 31.823 0.029 0.000 0.985 86 V HN 0.665 nan 8.190 nan 0.000 0.459 87 V N 6.097 125.856 119.914 -0.258 0.000 2.378 87 V HA 0.510 4.630 4.120 -0.000 0.000 0.288 87 V C -0.353 175.608 176.094 -0.222 0.000 1.016 87 V CA -0.473 61.655 62.300 -0.288 0.000 0.840 87 V CB 1.836 33.584 31.823 -0.125 0.000 0.994 87 V HN 0.599 nan 8.190 nan 0.000 0.431 88 V N 3.753 123.481 119.914 -0.310 0.000 2.447 88 V HA 0.659 4.779 4.120 -0.000 0.000 0.292 88 V C 0.538 176.646 176.094 0.022 0.000 1.021 88 V CA -0.254 61.961 62.300 -0.141 0.000 0.850 88 V CB 1.296 32.969 31.823 -0.249 0.000 1.005 88 V HN 1.262 nan 8.190 nan 0.000 0.426 89 A N 4.106 127.003 122.820 0.128 0.000 2.640 89 A HA -0.255 4.065 4.320 -0.000 0.000 0.300 89 A C -0.316 177.380 177.584 0.186 0.000 1.499 89 A CA 0.922 53.059 52.037 0.168 0.000 0.759 89 A CB -1.825 17.326 19.000 0.252 0.000 1.048 89 A HN 1.477 nan 8.150 nan 0.000 0.450 90 Y N 0.083 120.377 120.300 -0.010 0.000 2.326 90 Y HA 0.504 5.054 4.550 0.000 0.000 0.337 90 Y C 1.152 177.053 175.900 0.002 0.000 1.023 90 Y CA -0.761 57.331 58.100 -0.013 0.000 1.143 90 Y CB 1.025 39.448 38.460 -0.061 0.000 1.183 90 Y HN 0.377 nan 8.280 nan 0.000 0.485 91 G N 5.602 114.262 108.800 -0.233 0.000 3.026 91 G HA2 0.152 4.112 3.960 -0.000 0.000 0.208 91 G HA3 0.152 4.112 3.960 -0.000 0.000 0.208 91 G C -0.433 174.242 174.900 -0.374 0.000 1.169 91 G CA 0.006 44.956 45.100 -0.250 0.000 0.788 91 G HN 0.366 nan 8.290 nan 0.000 0.533 92 L N 0.289 121.097 121.223 -0.692 0.000 2.331 92 L HA 0.499 4.839 4.340 -0.000 0.000 0.275 92 L C 0.228 176.961 176.870 -0.228 0.000 1.022 92 L CA -1.042 53.523 54.840 -0.459 0.000 0.812 92 L CB 2.060 43.783 42.059 -0.559 0.000 1.257 92 L HN -0.073 nan 8.230 nan 0.000 0.435 93 I N 3.024 123.522 120.570 -0.121 0.000 2.529 93 I HA 0.163 4.333 4.170 -0.000 0.000 0.284 93 I C -0.369 175.732 176.117 -0.027 0.000 1.082 93 I CA -0.150 61.117 61.300 -0.055 0.000 1.406 93 I CB 0.496 38.470 38.000 -0.042 0.000 1.405 93 I HN 0.258 nan 8.210 nan 0.000 0.548 94 L N 8.093 129.312 121.223 -0.007 0.000 2.264 94 L HA 0.420 4.760 4.340 -0.000 0.000 0.289 94 L C -2.250 174.610 176.870 -0.016 0.000 1.044 94 L CA -1.835 53.002 54.840 -0.006 0.000 0.807 94 L CB 0.777 42.831 42.059 -0.008 0.000 1.192 94 L HN 0.276 nan 8.230 nan 0.000 0.425 95 P HA 0.154 nan 4.420 nan 0.000 0.274 95 P C 0.186 177.473 177.300 -0.022 0.000 1.231 95 P CA -0.466 62.623 63.100 -0.018 0.000 0.790 95 P CB 0.757 32.447 31.700 -0.015 0.000 0.951 96 K N 1.586 121.975 120.400 -0.019 0.000 2.160 96 K HA -0.213 4.107 4.320 -0.000 0.000 0.206 96 K C 1.850 178.436 176.600 -0.023 0.000 1.047 96 K CA 1.811 58.086 56.287 -0.019 0.000 0.930 96 K CB -0.674 31.816 32.500 -0.015 0.000 0.720 96 K HN 0.444 nan 8.250 nan 0.000 0.450 97 A N 1.241 124.048 122.820 -0.022 0.000 1.908 97 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 97 A C 2.432 179.995 177.584 -0.035 0.000 1.181 97 A CA 1.595 53.618 52.037 -0.025 0.000 0.627 97 A CB -0.661 18.326 19.000 -0.020 0.000 0.818 97 A HN 0.100 nan 8.150 nan 0.000 0.445 98 V N -0.437 119.451 119.914 -0.043 0.000 2.453 98 V HA -0.168 3.952 4.120 -0.000 0.000 0.247 98 V C 2.431 178.483 176.094 -0.070 0.000 1.048 98 V CA 1.477 63.737 62.300 -0.068 0.000 1.049 98 V CB -0.676 31.097 31.823 -0.083 0.000 0.672 98 V HN 0.455 nan 8.190 nan 0.000 0.457 99 L N 0.157 121.349 121.223 -0.052 0.000 2.079 99 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 99 L C 2.358 179.202 176.870 -0.042 0.000 1.081 99 L CA 1.821 56.633 54.840 -0.046 0.000 0.752 99 L CB -0.901 41.139 42.059 -0.032 0.000 0.896 99 L HN 0.433 nan 8.230 nan 0.000 0.433 100 E N -1.823 118.356 120.200 -0.036 0.000 2.371 100 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 100 E C 2.185 178.765 176.600 -0.033 0.000 1.012 100 E CA 0.264 56.646 56.400 -0.030 0.000 0.860 100 E CB -0.019 29.667 29.700 -0.024 0.000 0.811 100 E HN 0.467 nan 8.360 nan 0.000 0.502 101 M N 0.868 120.442 119.600 -0.043 0.000 2.067 101 M HA -0.050 4.430 4.480 -0.000 0.000 0.260 101 M C -1.335 174.940 176.300 -0.042 0.000 1.069 101 M CA 1.105 56.378 55.300 -0.045 0.000 1.117 101 M CB -1.293 31.272 32.600 -0.059 0.000 1.334 101 M HN -0.101 nan 8.290 nan 0.000 0.407 102 P HA 0.023 nan 4.420 nan 0.000 0.272 102 P C 0.086 177.370 177.300 -0.027 0.000 1.223 102 P CA 0.235 63.311 63.100 -0.040 0.000 0.784 102 P CB 0.436 32.106 31.700 -0.050 0.000 0.923 103 R N 2.081 122.570 120.500 -0.018 0.000 2.096 103 R HA -0.137 4.203 4.340 -0.000 0.000 0.240 103 R C 1.053 177.346 176.300 -0.013 0.000 1.139 103 R CA 1.686 57.778 56.100 -0.013 0.000 0.952 103 R CB -0.511 29.785 30.300 -0.007 0.000 0.854 103 R HN 0.455 nan 8.270 nan 0.000 0.436 104 L N 0.130 121.344 121.223 -0.014 0.000 2.700 104 L HA 0.294 4.634 4.340 -0.000 0.000 0.234 104 L C 0.941 177.801 176.870 -0.018 0.000 1.156 104 L CA 0.077 54.909 54.840 -0.013 0.000 0.946 104 L CB 0.585 42.638 42.059 -0.011 0.000 1.216 104 L HN 0.568 nan 8.230 nan 0.000 0.493 105 G N -0.174 108.612 108.800 -0.025 0.000 2.553 105 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.242 105 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.242 105 G C -0.477 174.398 174.900 -0.041 0.000 1.277 105 G CA -0.375 44.706 45.100 -0.031 0.000 0.910 105 G HN 0.174 nan 8.290 nan 0.000 0.576 106 C N -0.695 118.580 119.300 -0.042 0.000 2.417 106 C HA 0.770 5.230 4.460 -0.000 0.000 0.324 106 C C 0.121 175.089 174.990 -0.036 0.000 1.240 106 C CA -0.441 58.545 59.018 -0.053 0.000 1.632 106 C CB 0.623 28.324 27.740 -0.066 0.000 2.241 106 C HN 0.691 nan 8.230 nan 0.000 0.499 107 I N 3.596 124.144 120.570 -0.037 0.000 2.433 107 I HA 0.427 4.597 4.170 -0.000 0.000 0.292 107 I C -0.067 176.039 176.117 -0.019 0.000 1.001 107 I CA 0.015 61.305 61.300 -0.016 0.000 1.119 107 I CB 1.084 39.079 38.000 -0.009 0.000 1.289 107 I HN 0.707 nan 8.210 nan 0.000 0.438 108 N N 5.296 124.001 118.700 0.009 0.000 2.269 108 N HA 0.486 5.226 4.740 -0.000 0.000 0.304 108 N C -1.675 173.877 175.510 0.069 0.000 1.072 108 N CA -0.436 52.627 53.050 0.022 0.000 0.802 108 N CB 2.151 40.661 38.487 0.037 0.000 1.348 108 N HN 0.251 nan 8.380 nan 0.000 0.484 109 V N 3.940 123.893 119.914 0.065 0.000 2.318 109 V HA 0.201 4.321 4.120 -0.000 0.000 0.271 109 V C 0.107 176.320 176.094 0.198 0.000 1.030 109 V CA -0.590 61.781 62.300 0.119 0.000 0.844 109 V CB 0.445 32.273 31.823 0.009 0.000 1.015 109 V HN 0.617 nan 8.190 nan 0.000 0.460 110 H N 3.727 122.862 119.070 0.109 0.000 2.457 110 H HA 0.362 4.918 4.556 -0.000 0.000 0.335 110 H C 0.776 176.161 175.328 0.094 0.000 1.115 110 H CA -0.304 55.797 56.048 0.089 0.000 1.219 110 H CB 2.183 31.984 29.762 0.064 0.000 1.471 110 H HN 0.706 nan 8.280 nan 0.000 0.491 111 G N 3.595 112.112 108.800 -0.472 0.000 3.392 111 G HA2 0.174 4.134 3.960 -0.000 0.000 0.247 111 G HA3 0.174 4.134 3.960 -0.000 0.000 0.247 111 G C -0.223 174.527 174.900 -0.250 0.000 1.161 111 G CA 0.418 45.313 45.100 -0.342 0.000 1.739 111 G HN 0.596 nan 8.290 nan 0.000 0.619 112 S N -0.981 114.695 115.700 -0.041 0.000 2.643 112 S HA 0.534 5.004 4.470 -0.000 0.000 0.270 112 S C -0.931 173.777 174.600 0.179 0.000 1.166 112 S CA -0.947 57.338 58.200 0.141 0.000 0.815 112 S CB 1.094 64.481 63.200 0.313 0.000 1.139 112 S HN 0.059 nan 8.310 nan 0.000 0.472 113 L N 2.324 123.638 121.223 0.151 0.000 2.315 113 L HA 0.371 4.711 4.340 -0.000 0.000 0.278 113 L C -0.609 176.292 176.870 0.052 0.000 1.088 113 L CA -0.833 54.057 54.840 0.083 0.000 0.899 113 L CB 0.471 42.559 42.059 0.049 0.000 1.277 113 L HN 0.521 nan 8.230 nan 0.000 0.431 114 L N 5.906 127.166 121.223 0.062 0.000 2.492 114 L HA 0.068 4.408 4.340 -0.000 0.000 0.280 114 L C -0.903 175.934 176.870 -0.055 0.000 1.240 114 L CA -1.207 53.628 54.840 -0.008 0.000 0.831 114 L CB -0.002 42.043 42.059 -0.022 0.000 1.100 114 L HN 0.332 nan 8.230 nan 0.000 0.505 115 P HA -0.052 nan 4.420 nan 0.000 0.242 115 P C 0.294 177.463 177.300 -0.217 0.000 1.197 115 P CA 0.234 63.246 63.100 -0.147 0.000 0.765 115 P CB 0.193 31.806 31.700 -0.145 0.000 0.936 116 R N -0.127 120.240 120.500 -0.222 0.000 2.491 116 R HA 0.062 4.402 4.340 -0.000 0.000 0.283 116 R C -0.203 175.951 176.300 -0.242 0.000 1.072 116 R CA 0.008 55.859 56.100 -0.414 0.000 1.048 116 R CB -0.220 29.801 30.300 -0.464 0.000 0.983 116 R HN 0.049 nan 8.270 nan 0.000 0.450 117 W N 1.210 122.497 121.300 -0.022 0.000 5.158 117 W HA -0.268 4.392 4.660 -0.000 0.000 0.393 117 W C 0.065 176.654 176.519 0.117 0.000 1.508 117 W CA -0.133 57.240 57.345 0.047 0.000 0.901 117 W CB -1.243 28.267 29.460 0.084 0.000 2.676 117 W HN 0.549 nan 8.180 nan 0.000 1.392 118 R N 0.943 121.472 120.500 0.049 0.000 2.738 118 R HA 0.548 4.888 4.340 -0.000 0.000 0.268 118 R C 1.055 177.498 176.300 0.238 0.000 1.062 118 R CA 1.482 57.559 56.100 -0.038 0.000 1.158 118 R CB 0.490 30.590 30.300 -0.333 0.000 1.046 118 R HN 0.347 nan 8.270 nan 0.000 0.493 119 G N -0.166 108.804 108.800 0.284 0.000 2.466 119 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.316 119 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.316 119 G C 0.088 175.153 174.900 0.276 0.000 1.270 119 G CA -0.236 45.050 45.100 0.311 0.000 0.982 119 G HN 0.656 nan 8.290 nan 0.000 0.506 120 A N -0.869 122.054 122.820 0.172 0.000 1.970 120 A HA 0.621 4.941 4.320 -0.000 0.000 0.216 120 A C 1.864 179.476 177.584 0.046 0.000 1.170 120 A CA 2.323 54.416 52.037 0.093 0.000 0.645 120 A CB -0.224 18.807 19.000 0.051 0.000 0.816 120 A HN 2.455 nan 8.150 nan 0.000 0.447 121 A N -0.265 122.577 122.820 0.036 0.000 3.214 121 A HA 0.532 4.852 4.320 -0.000 0.000 0.304 121 A C -1.327 176.199 177.584 -0.096 0.000 0.969 121 A CA -0.740 51.282 52.037 -0.024 0.000 0.986 121 A CB 0.334 19.315 19.000 -0.031 0.000 1.073 121 A HN 0.256 nan 8.150 nan 0.000 0.487 122 P HA -0.178 nan 4.420 nan 0.000 0.216 122 P C 1.601 178.739 177.300 -0.270 0.000 1.153 122 P CA 0.998 64.025 63.100 -0.122 0.000 0.848 122 P CB 0.195 31.838 31.700 -0.095 0.000 0.787 123 I N -0.296 120.113 120.570 -0.269 0.000 2.142 123 I HA -0.272 3.898 4.170 -0.000 0.000 0.240 123 I C 2.688 178.707 176.117 -0.164 0.000 1.078 123 I CA 1.717 62.856 61.300 -0.268 0.000 1.343 123 I CB -0.762 36.943 38.000 -0.491 0.000 1.046 123 I HN -0.065 nan 8.210 nan 0.000 0.405 124 Q N 0.202 119.950 119.800 -0.086 0.000 2.119 124 Q HA -0.112 4.228 4.340 -0.000 0.000 0.201 124 Q C 2.286 178.224 176.000 -0.103 0.000 0.972 124 Q CA 1.100 56.895 55.803 -0.013 0.000 0.847 124 Q CB -0.166 28.625 28.738 0.088 0.000 0.903 124 Q HN 0.269 nan 8.270 nan 0.000 0.433 125 R N 0.238 120.552 120.500 -0.311 0.000 2.115 125 R HA -0.017 4.323 4.340 -0.000 0.000 0.226 125 R C 2.401 178.288 176.300 -0.688 0.000 1.100 125 R CA 1.481 57.264 56.100 -0.529 0.000 0.980 125 R CB -0.785 28.959 30.300 -0.926 0.000 0.875 125 R HN 0.457 nan 8.270 nan 0.000 0.445 126 S N 0.805 116.060 115.700 -0.741 0.000 2.383 126 S HA -0.099 4.371 4.470 -0.000 0.000 0.227 126 S C 1.993 176.559 174.600 -0.058 0.000 1.026 126 S CA 0.697 58.711 58.200 -0.311 0.000 0.981 126 S CB -0.328 62.828 63.200 -0.073 0.000 0.818 126 S HN 0.128 nan 8.310 nan 0.000 0.472 127 L N 0.859 122.041 121.223 -0.067 0.000 2.005 127 L HA 0.178 4.518 4.340 -0.000 0.000 0.207 127 L C 2.218 179.083 176.870 -0.008 0.000 1.072 127 L CA 1.671 56.498 54.840 -0.021 0.000 0.744 127 L CB -1.588 40.461 42.059 -0.017 0.000 0.895 127 L HN 0.607 nan 8.230 nan 0.000 0.433 128 W N 0.621 121.788 121.300 -0.221 0.000 2.338 128 W HA -0.220 4.440 4.660 -0.000 0.000 0.304 128 W C 2.176 178.608 176.519 -0.145 0.000 1.212 128 W CA 2.483 59.682 57.345 -0.245 0.000 1.264 128 W CB -0.352 28.952 29.460 -0.260 0.000 1.142 128 W HN 0.237 nan 8.180 nan 0.000 0.512 129 A N 0.231 122.982 122.820 -0.115 0.000 2.121 129 A HA 0.238 4.557 4.320 -0.000 0.000 0.218 129 A C 1.908 179.390 177.584 -0.171 0.000 1.154 129 A CA 1.579 53.467 52.037 -0.249 0.000 0.679 129 A CB -1.202 17.977 19.000 0.297 0.000 0.795 129 A HN 1.099 nan 8.150 nan 0.000 0.458 130 G N -0.448 108.290 108.800 -0.103 0.000 2.130 130 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.216 130 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.216 130 G C -0.525 174.377 174.900 0.004 0.000 0.999 130 G CA 0.084 45.141 45.100 -0.072 0.000 0.686 130 G HN 0.449 nan 8.290 nan 0.000 0.515 131 D N -0.244 120.198 120.400 0.071 0.000 2.423 131 D HA 0.515 5.155 4.640 -0.000 0.000 0.238 131 D C 1.480 177.814 176.300 0.057 0.000 1.142 131 D CA 0.651 54.715 54.000 0.106 0.000 0.884 131 D CB 1.012 41.939 40.800 0.213 0.000 1.199 131 D HN 0.410 nan 8.370 nan 0.000 0.438 132 A N 2.417 125.264 122.820 0.046 0.000 2.067 132 A HA 0.033 4.353 4.320 -0.000 0.000 0.217 132 A C 0.610 178.214 177.584 0.033 0.000 1.156 132 A CA 0.959 53.013 52.037 0.028 0.000 0.683 132 A CB -0.219 18.792 19.000 0.018 0.000 0.808 132 A HN 0.677 nan 8.150 nan 0.000 0.455 133 E N -2.371 117.859 120.200 0.050 0.000 2.430 133 E HA 0.569 4.919 4.350 -0.000 0.000 0.279 133 E C -0.920 175.723 176.600 0.072 0.000 1.003 133 E CA -0.569 55.860 56.400 0.049 0.000 0.801 133 E CB 0.987 30.708 29.700 0.036 0.000 1.313 133 E HN 0.047 nan 8.360 nan 0.000 0.459 134 T N -1.011 113.579 114.554 0.060 0.000 2.598 134 T HA 0.934 5.284 4.350 -0.000 0.000 0.254 134 T C 0.306 175.040 174.700 0.056 0.000 0.889 134 T CA -0.479 61.663 62.100 0.070 0.000 1.091 134 T CB 1.324 70.211 68.868 0.032 0.000 1.437 134 T HN 1.041 nan 8.240 nan 0.000 0.542 135 G N -0.570 108.262 108.800 0.053 0.000 2.333 135 G HA2 0.471 4.431 3.960 -0.000 0.000 0.288 135 G HA3 0.471 4.431 3.960 -0.000 0.000 0.288 135 G C -1.676 173.268 174.900 0.074 0.000 1.286 135 G CA -0.149 44.986 45.100 0.058 0.000 0.865 135 G HN 1.509 nan 8.290 nan 0.000 0.506 136 V N -2.896 117.078 119.914 0.100 0.000 2.823 136 V HA 0.960 5.080 4.120 -0.000 0.000 0.312 136 V C -0.319 175.858 176.094 0.137 0.000 1.072 136 V CA -0.651 61.734 62.300 0.141 0.000 0.937 136 V CB 1.632 33.582 31.823 0.211 0.000 1.013 136 V HN 1.039 nan 8.190 nan 0.000 0.430 137 T N 4.430 119.086 114.554 0.169 0.000 2.824 137 T HA 0.713 5.063 4.350 -0.000 0.000 0.282 137 T C -0.625 174.179 174.700 0.173 0.000 0.993 137 T CA -0.063 62.126 62.100 0.148 0.000 0.967 137 T CB 1.260 70.209 68.868 0.135 0.000 0.960 137 T HN 0.605 nan 8.240 nan 0.000 0.441 138 I N 4.747 125.421 120.570 0.173 0.000 2.315 138 I HA 0.478 4.648 4.170 -0.000 0.000 0.291 138 I C 0.216 176.401 176.117 0.114 0.000 1.006 138 I CA -0.339 61.056 61.300 0.157 0.000 1.265 138 I CB 0.865 38.975 38.000 0.183 0.000 1.387 138 I HN 0.599 nan 8.210 nan 0.000 0.475 139 M N 3.987 123.635 119.600 0.080 0.000 2.644 139 M HA 0.661 5.141 4.480 -0.000 0.000 0.304 139 M C -0.737 175.579 176.300 0.027 0.000 1.215 139 M CA -1.040 54.289 55.300 0.047 0.000 0.871 139 M CB 1.742 34.356 32.600 0.024 0.000 1.740 139 M HN 0.323 nan 8.290 nan 0.000 0.464 140 Q N 2.659 122.469 119.800 0.016 0.000 2.323 140 Q HA 0.420 4.760 4.340 -0.000 0.000 0.257 140 Q C -1.081 174.916 176.000 -0.004 0.000 1.022 140 Q CA 0.331 56.137 55.803 0.005 0.000 0.919 140 Q CB 0.512 29.253 28.738 0.005 0.000 1.220 140 Q HN 0.824 nan 8.270 nan 0.000 0.427 141 M N 2.759 122.354 119.600 -0.009 0.000 2.249 141 M HA 0.103 4.583 4.480 -0.000 0.000 0.340 141 M C -0.021 176.270 176.300 -0.014 0.000 1.166 141 M CA 0.765 56.057 55.300 -0.013 0.000 1.115 141 M CB 0.441 33.032 32.600 -0.016 0.000 1.606 141 M HN 0.612 nan 8.290 nan 0.000 0.448 142 D N 0.215 120.607 120.400 -0.013 0.000 2.614 142 D HA 0.345 4.985 4.640 -0.000 0.000 0.264 142 D C 0.695 176.989 176.300 -0.010 0.000 1.092 142 D CA -0.472 53.521 54.000 -0.012 0.000 1.071 142 D CB 1.788 42.582 40.800 -0.011 0.000 1.443 142 D HN 0.388 nan 8.370 nan 0.000 0.528 143 V N -0.770 119.139 119.914 -0.008 0.000 2.515 143 V HA 0.210 4.330 4.120 -0.000 0.000 0.250 143 V C 1.347 177.440 176.094 -0.001 0.000 1.058 143 V CA 1.502 63.798 62.300 -0.006 0.000 1.064 143 V CB -1.197 30.622 31.823 -0.007 0.000 0.675 143 V HN 0.416 nan 8.190 nan 0.000 0.461 144 G N 0.353 109.155 108.800 0.004 0.000 2.529 144 G HA2 0.313 4.273 3.960 -0.000 0.000 0.277 144 G HA3 0.313 4.273 3.960 -0.000 0.000 0.277 144 G C -0.434 174.479 174.900 0.022 0.000 1.383 144 G CA -0.148 44.961 45.100 0.015 0.000 1.050 144 G HN 0.447 nan 8.290 nan 0.000 0.526 145 L N 0.418 121.672 121.223 0.051 0.000 2.302 145 L HA 0.310 4.650 4.340 -0.000 0.000 0.285 145 L C -0.208 176.695 176.870 0.055 0.000 1.090 145 L CA -0.280 54.603 54.840 0.071 0.000 0.866 145 L CB -0.376 41.757 42.059 0.124 0.000 1.244 145 L HN 0.564 nan 8.230 nan 0.000 0.435 146 D N 2.157 122.545 120.400 -0.020 0.000 2.699 146 D HA -0.199 4.441 4.640 -0.000 0.000 0.239 146 D C 1.004 177.246 176.300 -0.096 0.000 1.136 146 D CA 1.265 55.195 54.000 -0.117 0.000 0.668 146 D CB -0.997 39.632 40.800 -0.286 0.000 1.060 146 D HN 0.819 nan 8.370 nan 0.000 0.429 147 T N -3.661 110.867 114.554 -0.044 0.000 3.044 147 T HA 0.312 4.662 4.350 -0.000 0.000 0.250 147 T C 1.272 175.952 174.700 -0.033 0.000 1.081 147 T CA 0.263 62.343 62.100 -0.033 0.000 1.040 147 T CB 0.600 69.465 68.868 -0.005 0.000 0.962 147 T HN 0.341 nan 8.240 nan 0.000 0.506 148 G N 1.542 110.322 108.800 -0.033 0.000 2.630 148 G HA2 0.291 4.251 3.960 -0.000 0.000 0.236 148 G HA3 0.291 4.251 3.960 -0.000 0.000 0.236 148 G C -0.571 174.318 174.900 -0.019 0.000 1.248 148 G CA -0.509 44.578 45.100 -0.022 0.000 0.844 148 G HN 0.279 nan 8.290 nan 0.000 0.588 149 D N 0.526 120.921 120.400 -0.008 0.000 2.423 149 D HA 0.101 4.741 4.640 -0.000 0.000 0.238 149 D C 0.701 177.006 176.300 0.008 0.000 1.142 149 D CA 0.677 54.676 54.000 -0.002 0.000 0.884 149 D CB 0.700 41.502 40.800 0.004 0.000 1.199 149 D HN 0.165 nan 8.370 nan 0.000 0.438 150 M N 2.273 121.880 119.600 0.011 0.000 2.120 150 M HA 0.165 4.645 4.480 -0.000 0.000 0.354 150 M C 0.962 177.293 176.300 0.051 0.000 1.287 150 M CA -0.266 55.051 55.300 0.029 0.000 1.103 150 M CB 1.109 33.718 32.600 0.014 0.000 1.623 150 M HN 0.214 nan 8.290 nan 0.000 0.471 151 L N 2.715 123.989 121.223 0.085 0.000 2.408 151 L HA 0.242 4.582 4.340 -0.000 0.000 0.215 151 L C -0.296 176.714 176.870 0.233 0.000 1.081 151 L CA 0.323 55.234 54.840 0.120 0.000 0.840 151 L CB 0.261 42.380 42.059 0.100 0.000 1.002 151 L HN 0.586 nan 8.230 nan 0.000 0.468 152 Y N -0.228 120.090 120.300 0.030 0.000 2.565 152 Y HA 0.417 4.967 4.550 0.000 0.000 0.330 152 Y C -1.352 174.575 175.900 0.045 0.000 1.150 152 Y CA -1.601 56.520 58.100 0.035 0.000 1.055 152 Y CB 1.464 39.947 38.460 0.039 0.000 1.337 152 Y HN -0.219 nan 8.280 nan 0.000 0.457 153 K N 5.106 125.281 120.400 -0.374 0.000 2.501 153 K HA 0.687 5.007 4.320 -0.000 0.000 0.252 153 K C -1.943 174.488 176.600 -0.282 0.000 0.934 153 K CA -0.863 55.308 56.287 -0.193 0.000 0.797 153 K CB 2.781 35.208 32.500 -0.123 0.000 1.270 153 K HN 0.579 nan 8.250 nan 0.000 0.431 154 L N 1.768 122.941 121.223 -0.084 0.000 2.410 154 L HA 0.392 4.732 4.340 -0.000 0.000 0.270 154 L C -0.166 176.706 176.870 0.003 0.000 0.983 154 L CA -0.703 54.112 54.840 -0.042 0.000 0.822 154 L CB 2.286 44.379 42.059 0.056 0.000 1.285 154 L HN 0.750 nan 8.230 nan 0.000 0.409 155 S N 0.865 116.564 115.700 -0.002 0.000 2.681 155 S HA 0.728 5.198 4.470 -0.000 0.000 0.299 155 S C -0.755 173.861 174.600 0.027 0.000 1.113 155 S CA -0.726 57.483 58.200 0.016 0.000 1.013 155 S CB 2.125 65.328 63.200 0.005 0.000 1.076 155 S HN 0.664 nan 8.310 nan 0.000 0.534 156 C N 3.071 122.391 119.300 0.032 0.000 2.642 156 C HA 0.676 5.136 4.460 -0.000 0.000 0.344 156 C C -2.830 172.179 174.990 0.031 0.000 1.110 156 C CA -1.416 57.622 59.018 0.034 0.000 1.298 156 C CB 1.579 29.343 27.740 0.041 0.000 1.827 156 C HN 0.854 nan 8.230 nan 0.000 0.467 157 P HA 0.337 nan 4.420 nan 0.000 0.274 157 P C -0.965 176.351 177.300 0.026 0.000 1.231 157 P CA 0.035 63.150 63.100 0.026 0.000 0.790 157 P CB 0.917 32.630 31.700 0.021 0.000 0.951 158 I N 2.014 122.599 120.570 0.025 0.000 2.304 158 I HA 0.160 4.330 4.170 -0.000 0.000 0.291 158 I C 1.436 177.563 176.117 0.017 0.000 1.018 158 I CA -0.304 61.009 61.300 0.021 0.000 1.260 158 I CB 1.185 39.197 38.000 0.020 0.000 1.390 158 I HN 0.366 nan 8.210 nan 0.000 0.475 159 T N 2.463 117.028 114.554 0.019 0.000 2.847 159 T HA 0.417 4.767 4.350 -0.000 0.000 0.279 159 T C 1.163 175.871 174.700 0.012 0.000 0.984 159 T CA -0.330 61.780 62.100 0.016 0.000 0.988 159 T CB 1.793 70.673 68.868 0.021 0.000 1.040 159 T HN 0.598 nan 8.240 nan 0.000 0.528 160 A N 0.205 123.031 122.820 0.009 0.000 2.172 160 A HA 0.078 4.397 4.320 -0.000 0.000 0.216 160 A C 1.729 179.320 177.584 0.011 0.000 1.154 160 A CA 0.958 52.998 52.037 0.005 0.000 0.701 160 A CB -0.747 18.256 19.000 0.004 0.000 0.789 160 A HN 0.906 nan 8.150 nan 0.000 0.465 161 E N 0.434 120.645 120.200 0.019 0.000 2.481 161 E HA 0.088 4.438 4.350 -0.000 0.000 0.198 161 E C -0.520 176.100 176.600 0.034 0.000 1.027 161 E CA -0.238 56.178 56.400 0.027 0.000 0.900 161 E CB 0.282 30.000 29.700 0.032 0.000 0.993 161 E HN 0.401 nan 8.360 nan 0.000 0.482 162 D N 1.604 122.022 120.400 0.030 0.000 2.382 162 D HA 0.072 4.712 4.640 -0.000 0.000 0.245 162 D C 0.380 176.702 176.300 0.036 0.000 1.120 162 D CA 0.433 54.456 54.000 0.038 0.000 0.890 162 D CB 1.300 42.120 40.800 0.034 0.000 1.201 162 D HN 0.088 nan 8.370 nan 0.000 0.433 163 T N -1.870 112.717 114.554 0.055 0.000 2.927 163 T HA 0.294 4.644 4.350 -0.000 0.000 0.286 163 T C 1.261 176.012 174.700 0.086 0.000 1.040 163 T CA -0.704 61.429 62.100 0.055 0.000 1.010 163 T CB 1.319 70.225 68.868 0.065 0.000 1.177 163 T HN 0.052 nan 8.240 nan 0.000 0.546 164 S N 0.131 115.894 115.700 0.106 0.000 2.419 164 S HA 0.023 4.493 4.470 -0.000 0.000 0.233 164 S C 2.241 177.015 174.600 0.290 0.000 1.016 164 S CA 1.340 59.652 58.200 0.187 0.000 0.974 164 S CB -0.994 62.335 63.200 0.216 0.000 0.786 164 S HN 0.919 nan 8.310 nan 0.000 0.492 165 G N 1.635 110.544 108.800 0.182 0.000 2.404 165 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.215 165 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.215 165 G C 1.658 176.673 174.900 0.193 0.000 1.174 165 G CA 1.603 46.802 45.100 0.164 0.000 0.780 165 G HN 0.632 nan 8.290 nan 0.000 0.537 166 T N -0.311 114.331 114.554 0.148 0.000 2.857 166 T HA 0.086 4.436 4.350 -0.000 0.000 0.266 166 T C 2.435 177.215 174.700 0.132 0.000 1.048 166 T CA 0.822 62.998 62.100 0.128 0.000 1.139 166 T CB -0.282 68.642 68.868 0.093 0.000 0.874 166 T HN 0.162 nan 8.240 nan 0.000 0.455 167 L N -0.927 120.369 121.223 0.121 0.000 2.083 167 L HA -0.027 4.313 4.340 -0.000 0.000 0.209 167 L C 2.688 179.598 176.870 0.067 0.000 1.083 167 L CA 1.514 56.394 54.840 0.068 0.000 0.752 167 L CB -0.658 41.409 42.059 0.013 0.000 0.899 167 L HN 0.190 nan 8.230 nan 0.000 0.433 168 Y N 0.699 121.030 120.300 0.052 0.000 2.165 168 Y HA -0.322 4.228 4.550 -0.000 0.000 0.286 168 Y C 2.492 178.505 175.900 0.188 0.000 1.155 168 Y CA 1.754 59.902 58.100 0.079 0.000 1.164 168 Y CB -0.273 38.222 38.460 0.057 0.000 0.978 168 Y HN 0.257 nan 8.280 nan 0.000 0.513 169 D N -0.152 120.426 120.400 0.295 0.000 2.104 169 D HA -0.169 4.471 4.640 -0.000 0.000 0.194 169 D C 2.021 178.423 176.300 0.170 0.000 0.994 169 D CA 1.499 55.628 54.000 0.215 0.000 0.830 169 D CB -0.262 40.629 40.800 0.152 0.000 0.959 169 D HN 0.317 nan 8.370 nan 0.000 0.452 170 K N 0.151 120.634 120.400 0.137 0.000 2.026 170 K HA -0.042 4.278 4.320 -0.000 0.000 0.208 170 K C 2.305 178.977 176.600 0.122 0.000 1.048 170 K CA 0.656 57.005 56.287 0.104 0.000 0.929 170 K CB -0.148 32.398 32.500 0.077 0.000 0.713 170 K HN 0.157 nan 8.250 nan 0.000 0.439 171 L N 0.259 121.578 121.223 0.160 0.000 2.217 171 L HA -0.079 4.261 4.340 -0.000 0.000 0.211 171 L C 2.467 179.542 176.870 0.341 0.000 1.107 171 L CA 0.633 55.613 54.840 0.234 0.000 0.783 171 L CB -0.506 41.666 42.059 0.190 0.000 0.919 171 L HN 0.191 nan 8.230 nan 0.000 0.442 172 A N -0.237 122.802 122.820 0.365 0.000 2.067 172 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 172 A C 2.258 179.803 177.584 -0.065 0.000 1.158 172 A CA 1.588 53.701 52.037 0.126 0.000 0.661 172 A CB -0.274 18.868 19.000 0.237 0.000 0.801 172 A HN 0.478 nan 8.150 nan 0.000 0.452 173 E N -0.618 119.593 120.200 0.018 0.000 2.140 173 E HA 0.054 4.404 4.350 -0.000 0.000 0.191 173 E C 1.872 178.460 176.600 -0.021 0.000 0.973 173 E CA 0.142 56.531 56.400 -0.019 0.000 0.829 173 E CB -0.069 29.645 29.700 0.023 0.000 0.781 173 E HN 0.569 nan 8.360 nan 0.000 0.466 174 L N 0.283 121.525 121.223 0.031 0.000 2.023 174 L HA -0.024 4.316 4.340 -0.000 0.000 0.205 174 L C 2.532 179.433 176.870 0.052 0.000 1.073 174 L CA 1.238 56.111 54.840 0.056 0.000 0.745 174 L CB -0.697 41.418 42.059 0.093 0.000 0.900 174 L HN 0.316 nan 8.230 nan 0.000 0.435 175 G N 0.615 109.456 108.800 0.068 0.000 2.529 175 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.219 175 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.219 175 G C -0.786 174.101 174.900 -0.022 0.000 1.177 175 G CA 0.982 46.172 45.100 0.151 0.000 0.773 175 G HN 0.318 nan 8.290 nan 0.000 0.573 176 P HA -0.140 nan 4.420 nan 0.000 0.216 176 P C 2.073 179.331 177.300 -0.070 0.000 1.153 176 P CA 1.906 64.836 63.100 -0.284 0.000 0.858 176 P CB -0.177 31.302 31.700 -0.368 0.000 0.789 177 Q N -1.138 118.638 119.800 -0.040 0.000 2.079 177 Q HA -0.079 4.261 4.340 -0.000 0.000 0.200 177 Q C 2.301 178.313 176.000 0.021 0.000 0.974 177 Q CA 1.868 57.673 55.803 0.004 0.000 0.840 177 Q CB -1.707 27.045 28.738 0.023 0.000 0.898 177 Q HN 0.137 nan 8.270 nan 0.000 0.430 178 G N 1.742 110.598 108.800 0.093 0.000 2.422 178 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 178 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 178 G C 1.428 176.333 174.900 0.008 0.000 1.146 178 G CA 0.873 46.066 45.100 0.153 0.000 0.769 178 G HN 0.302 nan 8.290 nan 0.000 0.547 179 L N 0.758 122.019 121.223 0.064 0.000 1.994 179 L HA 0.006 4.346 4.340 -0.000 0.000 0.208 179 L C 2.565 179.410 176.870 -0.042 0.000 1.071 179 L CA 1.366 56.234 54.840 0.046 0.000 0.745 179 L CB -0.405 41.738 42.059 0.141 0.000 0.892 179 L HN 0.083 nan 8.230 nan 0.000 0.431 180 I N -0.350 120.200 120.570 -0.033 0.000 2.163 180 I HA -0.281 3.889 4.170 -0.000 0.000 0.243 180 I C 2.433 178.510 176.117 -0.067 0.000 1.085 180 I CA 1.756 63.043 61.300 -0.022 0.000 1.347 180 I CB -2.018 36.023 38.000 0.069 0.000 1.044 180 I HN 0.304 nan 8.210 nan 0.000 0.408 181 T N 0.715 115.184 114.554 -0.142 0.000 2.652 181 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 181 T C 1.905 176.439 174.700 -0.277 0.000 1.039 181 T CA 2.281 64.231 62.100 -0.249 0.000 1.153 181 T CB -0.419 68.165 68.868 -0.473 0.000 0.863 181 T HN 0.365 nan 8.240 nan 0.000 0.428 182 T N 2.337 116.704 114.554 -0.313 0.000 2.788 182 T HA 0.037 4.387 4.350 -0.000 0.000 0.268 182 T C 1.987 176.627 174.700 -0.099 0.000 1.044 182 T CA 0.820 62.804 62.100 -0.194 0.000 1.139 182 T CB -0.443 68.362 68.868 -0.106 0.000 0.867 182 T HN 0.241 nan 8.240 nan 0.000 0.454 183 L N 0.590 121.757 121.223 -0.093 0.000 2.083 183 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 183 L C 2.646 179.490 176.870 -0.042 0.000 1.083 183 L CA 1.139 55.934 54.840 -0.076 0.000 0.752 183 L CB -0.408 41.565 42.059 -0.144 0.000 0.899 183 L HN 0.174 nan 8.230 nan 0.000 0.433 184 K N 0.503 120.880 120.400 -0.037 0.000 2.026 184 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 184 K C 2.053 178.639 176.600 -0.023 0.000 1.048 184 K CA 1.633 57.912 56.287 -0.014 0.000 0.929 184 K CB -0.211 32.277 32.500 -0.019 0.000 0.713 184 K HN 0.284 nan 8.250 nan 0.000 0.439 185 Q N -0.047 119.726 119.800 -0.044 0.000 2.084 185 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 185 Q C 2.172 178.164 176.000 -0.014 0.000 0.978 185 Q CA 1.654 57.441 55.803 -0.028 0.000 0.844 185 Q CB -0.166 28.551 28.738 -0.035 0.000 0.898 185 Q HN 0.304 nan 8.270 nan 0.000 0.426 186 L N -0.052 121.160 121.223 -0.017 0.000 2.093 186 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 186 L C 2.441 179.308 176.870 -0.004 0.000 1.085 186 L CA 0.894 55.728 54.840 -0.009 0.000 0.755 186 L CB -0.534 41.517 42.059 -0.013 0.000 0.904 186 L HN 0.209 nan 8.230 nan 0.000 0.435 187 A N -0.610 122.208 122.820 -0.003 0.000 2.014 187 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 187 A C 1.664 179.251 177.584 0.005 0.000 1.163 187 A CA 1.585 53.625 52.037 0.005 0.000 0.652 187 A CB -0.264 18.744 19.000 0.014 0.000 0.808 187 A HN 0.321 nan 8.150 nan 0.000 0.449 188 D N -1.421 118.981 120.400 0.002 0.000 2.354 188 D HA 0.257 4.896 4.640 -0.000 0.000 0.209 188 D C 1.319 177.622 176.300 0.004 0.000 1.015 188 D CA 1.030 55.032 54.000 0.003 0.000 0.867 188 D CB 0.100 40.901 40.800 0.002 0.000 0.933 188 D HN 0.519 nan 8.370 nan 0.000 0.520 189 G N 1.119 109.921 108.800 0.003 0.000 2.176 189 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.252 189 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.252 189 G C 0.920 175.824 174.900 0.007 0.000 1.024 189 G CA 1.010 46.113 45.100 0.005 0.000 0.755 189 G HN 0.401 nan 8.290 nan 0.000 0.507 190 T N -3.162 111.396 114.554 0.007 0.000 3.129 190 T HA 0.687 5.037 4.350 -0.000 0.000 0.267 190 T C 1.072 175.783 174.700 0.018 0.000 1.018 190 T CA 1.068 63.175 62.100 0.012 0.000 0.903 190 T CB 0.872 69.746 68.868 0.011 0.000 1.067 190 T HN 1.612 nan 8.240 nan 0.000 0.549 191 A N 1.875 124.705 122.820 0.017 0.000 2.440 191 A HA 0.553 4.873 4.320 -0.000 0.000 0.251 191 A C -0.123 177.482 177.584 0.034 0.000 1.089 191 A CA -0.562 51.492 52.037 0.028 0.000 0.779 191 A CB 0.140 19.153 19.000 0.021 0.000 1.022 191 A HN 0.448 nan 8.150 nan 0.000 0.492 192 K N 3.236 123.666 120.400 0.050 0.000 2.423 192 K HA 0.444 4.764 4.320 -0.000 0.000 0.234 192 K C -2.939 173.686 176.600 0.043 0.000 1.051 192 K CA -1.360 54.952 56.287 0.043 0.000 1.021 192 K CB 0.479 33.006 32.500 0.045 0.000 1.474 192 K HN 0.344 nan 8.250 nan 0.000 0.474 193 P HA -0.037 nan 4.420 nan 0.000 0.267 193 P C -0.748 176.563 177.300 0.018 0.000 1.209 193 P CA -0.104 63.012 63.100 0.027 0.000 0.763 193 P CB 0.598 32.309 31.700 0.018 0.000 0.816 194 E N 2.674 122.883 120.200 0.016 0.000 2.158 194 E HA 0.292 4.642 4.350 -0.000 0.000 0.271 194 E C -0.807 175.792 176.600 -0.003 0.000 0.911 194 E CA -0.869 55.534 56.400 0.005 0.000 0.767 194 E CB 1.061 30.762 29.700 0.001 0.000 1.120 194 E HN 0.086 nan 8.360 nan 0.000 0.405 195 V N 4.094 124.004 119.914 -0.007 0.000 2.715 195 V HA 0.016 4.136 4.120 -0.000 0.000 0.299 195 V C 0.472 176.554 176.094 -0.020 0.000 1.054 195 V CA -0.202 62.091 62.300 -0.012 0.000 1.077 195 V CB 1.095 32.912 31.823 -0.011 0.000 0.972 195 V HN 0.745 nan 8.190 nan 0.000 0.484 196 Q N 2.018 121.802 119.800 -0.027 0.000 2.327 196 Q HA 0.159 4.499 4.340 -0.000 0.000 0.254 196 Q C -0.384 175.592 176.000 -0.040 0.000 0.952 196 Q CA -0.374 55.405 55.803 -0.040 0.000 0.884 196 Q CB 0.803 29.509 28.738 -0.053 0.000 1.224 196 Q HN 0.684 nan 8.270 nan 0.000 0.422 197 D N 2.422 122.793 120.400 -0.048 0.000 2.365 197 D HA -0.009 4.631 4.640 -0.000 0.000 0.237 197 D C 0.582 176.849 176.300 -0.055 0.000 1.190 197 D CA -0.039 53.934 54.000 -0.045 0.000 0.867 197 D CB 0.773 41.545 40.800 -0.047 0.000 1.050 197 D HN 0.381 nan 8.370 nan 0.000 0.491 198 E N 1.693 121.868 120.200 -0.041 0.000 2.147 198 E HA -0.187 4.163 4.350 -0.000 0.000 0.199 198 E C 1.790 178.362 176.600 -0.047 0.000 1.005 198 E CA 1.575 57.952 56.400 -0.039 0.000 0.810 198 E CB -0.422 29.269 29.700 -0.015 0.000 0.736 198 E HN 0.720 nan 8.360 nan 0.000 0.460 199 T N -1.554 112.974 114.554 -0.043 0.000 3.007 199 T HA -0.032 4.318 4.350 -0.000 0.000 0.270 199 T C 1.838 176.497 174.700 -0.070 0.000 1.107 199 T CA 0.534 62.607 62.100 -0.044 0.000 1.118 199 T CB -0.177 68.671 68.868 -0.034 0.000 0.889 199 T HN 0.086 nan 8.240 nan 0.000 0.506 200 L N 1.093 122.260 121.223 -0.092 0.000 2.607 200 L HA 0.320 4.660 4.340 -0.000 0.000 0.228 200 L C 0.362 177.118 176.870 -0.191 0.000 1.123 200 L CA -0.412 54.352 54.840 -0.127 0.000 0.890 200 L CB 0.144 42.134 42.059 -0.115 0.000 1.103 200 L HN 0.127 nan 8.230 nan 0.000 0.468 201 V N 0.838 120.638 119.914 -0.191 0.000 2.655 201 V HA 0.132 4.252 4.120 -0.000 0.000 0.300 201 V C 0.619 176.504 176.094 -0.348 0.000 1.044 201 V CA 0.212 62.334 62.300 -0.298 0.000 1.095 201 V CB 0.915 32.567 31.823 -0.285 0.000 0.952 201 V HN 0.448 nan 8.190 nan 0.000 0.485 202 T N 1.914 116.169 114.554 -0.498 0.000 2.903 202 T HA 0.672 5.022 4.350 -0.000 0.000 0.299 202 T C -1.265 173.199 174.700 -0.394 0.000 1.093 202 T CA -0.738 61.119 62.100 -0.404 0.000 1.002 202 T CB 1.425 69.896 68.868 -0.663 0.000 1.127 202 T HN 0.277 nan 8.240 nan 0.000 0.488 203 Y N 0.572 120.954 120.300 0.138 0.000 2.352 203 Y HA 0.627 5.177 4.550 -0.000 0.000 0.339 203 Y C 0.532 176.686 175.900 0.424 0.000 0.992 203 Y CA -1.041 57.200 58.100 0.234 0.000 1.100 203 Y CB 1.889 40.429 38.460 0.134 0.000 1.192 203 Y HN 1.019 nan 8.280 nan 0.000 0.458 204 A N 4.016 127.169 122.820 0.556 0.000 2.798 204 A HA 0.266 4.586 4.320 -0.000 0.000 0.316 204 A C 0.002 177.690 177.584 0.175 0.000 1.506 204 A CA -0.612 51.644 52.037 0.364 0.000 1.162 204 A CB -0.610 18.540 19.000 0.250 0.000 1.138 204 A HN 0.825 nan 8.150 nan 0.000 0.532 205 E N 2.064 122.340 120.200 0.126 0.000 2.415 205 E HA 0.060 4.410 4.350 -0.000 0.000 0.262 205 E C 0.008 176.588 176.600 -0.033 0.000 1.038 205 E CA -0.210 56.215 56.400 0.042 0.000 0.921 205 E CB 0.714 30.424 29.700 0.017 0.000 0.950 205 E HN 0.422 nan 8.360 nan 0.000 0.438 206 K N 1.748 122.138 120.400 -0.017 0.000 2.494 206 K HA 0.023 4.343 4.320 -0.000 0.000 0.273 206 K C 0.203 176.771 176.600 -0.054 0.000 0.970 206 K CA 0.384 56.660 56.287 -0.019 0.000 0.963 206 K CB 0.157 32.653 32.500 -0.007 0.000 0.913 206 K HN 0.393 nan 8.250 nan 0.000 0.502 207 L N 1.092 122.312 121.223 -0.005 0.000 2.379 207 L HA 0.266 4.606 4.340 -0.000 0.000 0.269 207 L C 0.741 177.601 176.870 -0.016 0.000 1.084 207 L CA -0.453 54.313 54.840 -0.123 0.000 0.802 207 L CB 1.317 43.281 42.059 -0.159 0.000 1.175 207 L HN 0.752 nan 8.230 nan 0.000 0.448 208 S N -0.092 115.460 115.700 -0.246 0.000 2.627 208 S HA 0.450 4.920 4.470 -0.000 0.000 0.283 208 S C -0.031 174.361 174.600 -0.347 0.000 1.127 208 S CA -0.967 57.145 58.200 -0.148 0.000 0.863 208 S CB 2.158 65.314 63.200 -0.073 0.000 1.121 208 S HN 0.534 nan 8.310 nan 0.000 0.479 209 K N 0.914 121.165 120.400 -0.248 0.000 2.217 209 K HA 0.108 4.428 4.320 -0.000 0.000 0.202 209 K C 1.441 178.116 176.600 0.125 0.000 1.051 209 K CA 1.133 57.296 56.287 -0.207 0.000 0.952 209 K CB -0.265 32.071 32.500 -0.273 0.000 0.736 209 K HN 0.619 nan 8.250 nan 0.000 0.453 210 E N 1.124 121.355 120.200 0.052 0.000 2.077 210 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 210 E C 1.878 178.477 176.600 -0.002 0.000 0.989 210 E CA 1.307 57.759 56.400 0.087 0.000 0.800 210 E CB -0.066 29.651 29.700 0.028 0.000 0.746 210 E HN 0.436 nan 8.360 nan 0.000 0.452 211 E N 0.043 120.191 120.200 -0.087 0.000 2.208 211 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 211 E C 1.591 178.124 176.600 -0.111 0.000 0.988 211 E CA 0.775 57.107 56.400 -0.114 0.000 0.828 211 E CB -0.027 29.562 29.700 -0.185 0.000 0.763 211 E HN 0.246 nan 8.360 nan 0.000 0.478 212 A N 1.133 123.842 122.820 -0.184 0.000 2.206 212 A HA -0.010 4.310 4.320 -0.000 0.000 0.211 212 A C 1.313 178.769 177.584 -0.213 0.000 1.158 212 A CA -0.138 51.844 52.037 -0.092 0.000 0.761 212 A CB -0.285 18.606 19.000 -0.183 0.000 0.801 212 A HN 0.080 nan 8.150 nan 0.000 0.473 213 R N 0.847 121.054 120.500 -0.488 0.000 2.401 213 R HA 0.248 4.588 4.340 -0.000 0.000 0.299 213 R C -0.711 175.175 176.300 -0.690 0.000 1.064 213 R CA -0.239 55.150 56.100 -1.186 0.000 1.000 213 R CB 0.061 29.668 30.300 -1.156 0.000 0.973 213 R HN 0.374 nan 8.270 nan 0.000 0.438 214 I N 3.848 123.978 120.570 -0.733 0.000 2.741 214 I HA -0.147 4.023 4.170 -0.000 0.000 0.288 214 I C 0.441 176.125 176.117 -0.721 0.000 1.192 214 I CA 0.750 61.620 61.300 -0.716 0.000 1.426 214 I CB 0.277 37.687 38.000 -0.982 0.000 1.367 214 I HN 0.508 nan 8.210 nan 0.000 0.563 215 D N 6.638 126.717 120.400 -0.534 0.000 2.460 215 D HA 0.135 4.775 4.640 -0.000 0.000 0.232 215 D C 0.438 176.563 176.300 -0.291 0.000 1.079 215 D CA -0.499 53.300 54.000 -0.335 0.000 0.864 215 D CB 0.533 41.235 40.800 -0.163 0.000 1.048 215 D HN 0.366 nan 8.370 nan 0.000 0.523 216 W N 2.098 123.365 121.300 -0.055 0.000 2.468 216 W HA -0.146 4.514 4.660 -0.000 0.000 0.262 216 W C 2.398 178.900 176.519 -0.029 0.000 1.241 216 W CA 0.688 58.010 57.345 -0.038 0.000 1.232 216 W CB -0.015 29.424 29.460 -0.035 0.000 1.124 216 W HN 0.467 nan 8.180 nan 0.000 0.597 217 S N -0.103 115.685 115.700 0.147 0.000 2.555 217 S HA 0.024 4.494 4.470 -0.000 0.000 0.230 217 S C 0.748 175.378 174.600 0.051 0.000 0.978 217 S CA 0.200 58.453 58.200 0.090 0.000 0.934 217 S CB -0.589 62.644 63.200 0.055 0.000 0.766 217 S HN 0.106 nan 8.310 nan 0.000 0.533 218 L N 2.339 123.578 121.223 0.027 0.000 2.479 218 L HA 0.355 4.695 4.340 -0.000 0.000 0.249 218 L C 1.017 177.896 176.870 0.014 0.000 1.178 218 L CA -0.639 54.200 54.840 -0.001 0.000 0.811 218 L CB 0.355 42.392 42.059 -0.038 0.000 1.187 218 L HN 0.297 nan 8.230 nan 0.000 0.480 219 S N -0.127 115.567 115.700 -0.010 0.000 2.593 219 S HA 0.254 4.723 4.470 -0.000 0.000 0.269 219 S C 0.905 175.506 174.600 0.002 0.000 1.334 219 S CA -0.201 57.998 58.200 -0.003 0.000 1.015 219 S CB 1.451 64.636 63.200 -0.025 0.000 0.912 219 S HN 0.679 nan 8.310 nan 0.000 0.541 220 A N 2.178 125.011 122.820 0.023 0.000 1.972 220 A HA 0.158 4.478 4.320 -0.000 0.000 0.219 220 A C 2.363 179.942 177.584 -0.008 0.000 1.169 220 A CA 1.636 53.694 52.037 0.034 0.000 0.635 220 A CB -1.588 17.440 19.000 0.047 0.000 0.810 220 A HN 1.330 nan 8.150 nan 0.000 0.446 221 A N -0.734 122.070 122.820 -0.027 0.000 1.877 221 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 221 A C 2.166 179.696 177.584 -0.090 0.000 1.186 221 A CA 2.121 54.127 52.037 -0.052 0.000 0.620 221 A CB -0.495 18.473 19.000 -0.053 0.000 0.822 221 A HN 0.546 nan 8.150 nan 0.000 0.443 222 Q N -0.079 119.655 119.800 -0.109 0.000 2.123 222 Q HA 0.007 4.347 4.340 -0.000 0.000 0.199 222 Q C 1.824 177.733 176.000 -0.152 0.000 0.966 222 Q CA 1.475 57.177 55.803 -0.167 0.000 0.845 222 Q CB -0.489 28.143 28.738 -0.177 0.000 0.907 222 Q HN 0.642 nan 8.270 nan 0.000 0.439 223 L N 0.358 121.516 121.223 -0.110 0.000 2.046 223 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 223 L C 2.600 179.400 176.870 -0.118 0.000 1.077 223 L CA 1.515 56.280 54.840 -0.124 0.000 0.747 223 L CB -0.584 41.408 42.059 -0.110 0.000 0.896 223 L HN 0.361 nan 8.230 nan 0.000 0.432 224 E N 0.665 120.817 120.200 -0.080 0.000 2.077 224 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 224 E C 2.302 178.842 176.600 -0.101 0.000 0.989 224 E CA 1.248 57.610 56.400 -0.064 0.000 0.800 224 E CB 0.066 29.745 29.700 -0.035 0.000 0.746 224 E HN 0.373 nan 8.360 nan 0.000 0.452 225 R N -0.369 120.053 120.500 -0.131 0.000 2.081 225 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 225 R C 2.650 178.808 176.300 -0.237 0.000 1.131 225 R CA 1.471 57.474 56.100 -0.161 0.000 0.960 225 R CB -0.358 29.828 30.300 -0.189 0.000 0.856 225 R HN 0.288 nan 8.270 nan 0.000 0.436 226 C N 0.374 119.493 119.300 -0.302 0.000 2.429 226 C HA -0.073 4.387 4.460 -0.000 0.000 0.277 226 C C 2.511 177.191 174.990 -0.516 0.000 1.262 226 C CA 0.428 59.077 59.018 -0.615 0.000 1.733 226 C CB -0.786 26.691 27.740 -0.438 0.000 2.010 226 C HN 0.459 nan 8.230 nan 0.000 0.483 227 I N 0.392 120.820 120.570 -0.237 0.000 2.264 227 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 227 I C 2.838 178.887 176.117 -0.113 0.000 1.111 227 I CA 1.586 62.809 61.300 -0.128 0.000 1.382 227 I CB -0.426 37.531 38.000 -0.072 0.000 1.060 227 I HN 0.367 nan 8.210 nan 0.000 0.418 228 R N 0.310 120.739 120.500 -0.118 0.000 2.062 228 R HA 0.014 4.354 4.340 -0.000 0.000 0.226 228 R C 2.449 178.712 176.300 -0.061 0.000 1.125 228 R CA 1.219 57.280 56.100 -0.066 0.000 0.966 228 R CB -0.372 29.901 30.300 -0.045 0.000 0.861 228 R HN 0.304 nan 8.270 nan 0.000 0.433 229 A N 0.578 123.316 122.820 -0.137 0.000 2.019 229 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 229 A C 1.246 178.898 177.584 0.114 0.000 1.164 229 A CA 1.135 53.128 52.037 -0.074 0.000 0.644 229 A CB -0.263 18.639 19.000 -0.164 0.000 0.805 229 A HN 0.186 nan 8.150 nan 0.000 0.449 230 F N -0.077 119.839 119.950 -0.056 0.000 2.732 230 F HA 0.241 4.768 4.527 -0.000 0.000 0.303 230 F C 0.663 176.368 175.800 -0.160 0.000 1.110 230 F CA -1.065 56.860 58.000 -0.124 0.000 1.355 230 F CB -0.755 38.143 39.000 -0.170 0.000 1.081 230 F HN 0.165 nan 8.300 nan 0.000 0.565 231 N N 2.406 121.132 118.700 0.043 0.000 2.419 231 N HA 0.197 4.937 4.740 -0.000 0.000 0.277 231 N C -1.997 173.526 175.510 0.022 0.000 1.006 231 N CA -2.212 50.798 53.050 -0.066 0.000 0.923 231 N CB 2.246 40.677 38.487 -0.093 0.000 1.140 231 N HN -0.137 nan 8.380 nan 0.000 0.488 232 P HA 0.079 nan 4.420 nan 0.000 0.245 232 P C -0.615 176.707 177.300 0.038 0.000 1.206 232 P CA 0.363 63.456 63.100 -0.011 0.000 0.781 232 P CB 0.174 31.901 31.700 0.046 0.000 0.994 233 W N 1.656 122.898 121.300 -0.096 0.000 3.274 233 W HA 0.370 5.030 4.660 -0.000 0.000 0.327 233 W C -2.257 174.191 176.519 -0.120 0.000 1.172 233 W CA -1.924 55.352 57.345 -0.115 0.000 1.217 233 W CB 2.001 31.390 29.460 -0.118 0.000 1.376 233 W HN -0.349 nan 8.180 nan 0.000 0.507 234 P HA 0.067 nan 4.420 nan 0.000 0.255 234 P C -0.438 176.388 177.300 -0.789 0.000 1.248 234 P CA 0.779 62.803 63.100 -1.793 0.000 0.807 234 P CB 0.315 30.820 31.700 -1.993 0.000 1.150 235 M N -1.489 117.852 119.600 -0.431 0.000 4.047 235 M HA -0.102 4.378 4.480 -0.000 0.000 0.157 235 M C -0.329 175.943 176.300 -0.047 0.000 1.532 235 M CA 0.069 55.209 55.300 -0.268 0.000 1.097 235 M CB -2.132 30.230 32.600 -0.396 0.000 1.346 235 M HN -0.122 nan 8.290 nan 0.000 0.190 236 S N 4.085 119.821 115.700 0.061 0.000 2.579 236 S HA 0.637 5.107 4.470 -0.000 0.000 0.275 236 S C -0.292 174.417 174.600 0.181 0.000 1.345 236 S CA -0.139 58.145 58.200 0.140 0.000 1.031 236 S CB 0.535 63.756 63.200 0.035 0.000 0.892 236 S HN 0.636 nan 8.310 nan 0.000 0.529 237 W N 2.305 123.536 121.300 -0.115 0.000 3.066 237 W HA 0.640 5.300 4.660 -0.000 0.000 0.330 237 W C -2.294 174.173 176.519 -0.086 0.000 1.253 237 W CA -1.326 55.969 57.345 -0.083 0.000 1.187 237 W CB 0.216 29.620 29.460 -0.092 0.000 1.434 237 W HN 0.652 nan 8.180 nan 0.000 0.572 238 L N -0.591 120.632 121.223 -0.001 0.000 2.376 238 L HA 0.787 5.127 4.340 -0.000 0.000 0.258 238 L C -0.807 176.096 176.870 0.055 0.000 1.013 238 L CA -1.005 53.736 54.840 -0.165 0.000 0.822 238 L CB 2.560 44.625 42.059 0.009 0.000 1.388 238 L HN 0.520 nan 8.230 nan 0.000 0.413 239 E N 1.329 121.514 120.200 -0.026 0.000 2.166 239 E HA 0.654 5.004 4.350 -0.000 0.000 0.275 239 E C -1.447 175.077 176.600 -0.127 0.000 0.941 239 E CA -0.624 55.792 56.400 0.028 0.000 0.784 239 E CB 1.767 31.521 29.700 0.091 0.000 1.115 239 E HN 0.584 nan 8.360 nan 0.000 0.399 240 I N 4.222 124.604 120.570 -0.312 0.000 2.439 240 I HA 0.176 4.346 4.170 -0.000 0.000 0.285 240 I C -0.467 175.277 176.117 -0.622 0.000 1.021 240 I CA -0.547 60.376 61.300 -0.627 0.000 1.091 240 I CB 1.684 38.938 38.000 -1.244 0.000 1.242 240 I HN 0.579 nan 8.210 nan 0.000 0.439 241 E N 4.326 124.313 120.200 -0.354 0.000 2.513 241 E HA -0.228 4.122 4.350 -0.000 0.000 0.257 241 E C 1.044 177.605 176.600 -0.064 0.000 1.098 241 E CA 1.059 57.370 56.400 -0.150 0.000 0.752 241 E CB -1.572 28.109 29.700 -0.031 0.000 1.324 241 E HN 1.215 nan 8.360 nan 0.000 0.403 242 G N -0.297 108.464 108.800 -0.064 0.000 2.166 242 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.260 242 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.260 242 G C 0.090 175.000 174.900 0.015 0.000 0.986 242 G CA 0.835 45.933 45.100 -0.003 0.000 0.683 242 G HN 0.231 nan 8.290 nan 0.000 0.527 243 Q N 0.166 119.946 119.800 -0.033 0.000 2.314 243 Q HA 0.434 4.774 4.340 -0.000 0.000 0.259 243 Q C -2.606 173.412 176.000 0.031 0.000 0.951 243 Q CA -2.076 53.740 55.803 0.021 0.000 0.909 243 Q CB 1.927 30.703 28.738 0.064 0.000 1.236 243 Q HN 0.209 nan 8.270 nan 0.000 0.444 244 P HA 0.176 nan 4.420 nan 0.000 0.281 244 P C -0.787 176.629 177.300 0.193 0.000 1.252 244 P CA -0.218 62.992 63.100 0.183 0.000 0.778 244 P CB 0.893 32.582 31.700 -0.017 0.000 0.895 245 V N 4.748 124.823 119.914 0.269 0.000 2.443 245 V HA 0.275 4.395 4.120 -0.000 0.000 0.293 245 V C 0.220 176.503 176.094 0.315 0.000 1.021 245 V CA -0.727 61.744 62.300 0.286 0.000 0.848 245 V CB 1.575 33.571 31.823 0.288 0.000 0.998 245 V HN 0.412 nan 8.190 nan 0.000 0.424 246 K N 2.949 123.524 120.400 0.291 0.000 2.218 246 K HA 0.589 4.909 4.320 -0.000 0.000 0.276 246 K C -0.743 176.000 176.600 0.238 0.000 1.022 246 K CA -0.474 55.947 56.287 0.225 0.000 0.946 246 K CB 1.783 34.371 32.500 0.147 0.000 1.000 246 K HN 0.456 nan 8.250 nan 0.000 0.468 247 V N 3.368 123.344 119.914 0.103 0.000 2.350 247 V HA 0.102 4.222 4.120 -0.000 0.000 0.276 247 V C -0.073 176.020 176.094 -0.002 0.000 1.028 247 V CA -0.540 61.835 62.300 0.126 0.000 0.860 247 V CB 0.684 32.556 31.823 0.081 0.000 0.990 247 V HN 0.874 nan 8.190 nan 0.000 0.453 248 W N 3.347 124.689 121.300 0.070 0.000 2.588 248 W HA 0.268 4.928 4.660 -0.000 0.000 0.277 248 W C 0.808 177.353 176.519 0.043 0.000 1.221 248 W CA 0.029 57.407 57.345 0.056 0.000 1.355 248 W CB 0.448 29.939 29.460 0.051 0.000 1.083 248 W HN 0.346 nan 8.180 nan 0.000 0.581 249 K N -0.759 119.788 120.400 0.244 0.000 2.546 249 K HA 0.704 5.024 4.320 -0.000 0.000 0.264 249 K C -1.080 175.582 176.600 0.103 0.000 0.937 249 K CA -0.721 55.654 56.287 0.146 0.000 0.833 249 K CB 2.493 35.079 32.500 0.143 0.000 1.378 249 K HN -0.224 nan 8.250 nan 0.000 0.432 250 A N 0.757 123.620 122.820 0.070 0.000 2.612 250 A HA 0.751 5.071 4.320 -0.000 0.000 0.293 250 A C -1.334 176.275 177.584 0.043 0.000 1.075 250 A CA -0.732 51.342 52.037 0.061 0.000 0.680 250 A CB 1.603 20.643 19.000 0.067 0.000 1.279 250 A HN 0.670 nan 8.150 nan 0.000 0.411 251 S N -0.224 115.499 115.700 0.039 0.000 2.599 251 S HA 0.814 5.284 4.470 -0.000 0.000 0.294 251 S C -0.758 173.858 174.600 0.028 0.000 1.094 251 S CA -0.709 57.508 58.200 0.027 0.000 0.931 251 S CB 1.470 64.684 63.200 0.023 0.000 1.093 251 S HN 1.192 nan 8.310 nan 0.000 0.488 252 V N 1.887 121.812 119.914 0.018 0.000 2.481 252 V HA 0.456 4.576 4.120 -0.000 0.000 0.286 252 V C -0.388 175.715 176.094 0.015 0.000 1.042 252 V CA -0.659 61.652 62.300 0.018 0.000 0.928 252 V CB 1.134 32.961 31.823 0.007 0.000 0.986 252 V HN 0.842 nan 8.190 nan 0.000 0.462 253 I N 3.399 123.979 120.570 0.017 0.000 2.359 253 I HA 0.264 4.434 4.170 -0.000 0.000 0.284 253 I C 0.013 176.135 176.117 0.009 0.000 1.018 253 I CA -0.343 60.964 61.300 0.012 0.000 1.173 253 I CB 1.229 39.235 38.000 0.011 0.000 1.326 253 I HN 0.519 nan 8.210 nan 0.000 0.462 254 D N 5.322 125.726 120.400 0.005 0.000 2.662 254 D HA 0.110 4.750 4.640 -0.000 0.000 0.228 254 D C -0.406 175.895 176.300 0.002 0.000 1.093 254 D CA 0.525 54.527 54.000 0.003 0.000 1.075 254 D CB 0.248 41.048 40.800 -0.000 0.000 1.122 254 D HN 0.365 nan 8.370 nan 0.000 0.475 255 T N 0.514 115.070 114.554 0.004 0.000 2.921 255 T HA 0.569 4.919 4.350 -0.000 0.000 0.297 255 T C -0.072 174.629 174.700 0.002 0.000 1.013 255 T CA -0.676 61.425 62.100 0.002 0.000 0.990 255 T CB 1.811 70.679 68.868 0.001 0.000 1.023 255 T HN 0.179 nan 8.240 nan 0.000 0.447 256 A N 2.937 125.758 122.820 0.001 0.000 2.386 256 A HA 0.667 4.986 4.320 -0.000 0.000 0.248 256 A C 0.337 177.921 177.584 -0.000 0.000 1.082 256 A CA -0.174 51.863 52.037 0.001 0.000 0.789 256 A CB 0.081 19.081 19.000 0.000 0.000 1.025 256 A HN 0.765 nan 8.150 nan 0.000 0.490 257 T N 1.330 115.883 114.554 -0.001 0.000 2.900 257 T HA 0.383 4.733 4.350 -0.000 0.000 0.295 257 T C 0.267 174.964 174.700 -0.005 0.000 1.044 257 T CA -0.730 61.367 62.100 -0.005 0.000 0.995 257 T CB 1.567 70.430 68.868 -0.009 0.000 1.072 257 T HN 0.558 nan 8.240 nan 0.000 0.473 258 N N 0.679 119.374 118.700 -0.008 0.000 2.280 258 N HA 0.246 4.986 4.740 -0.000 0.000 0.192 258 N C 0.523 176.026 175.510 -0.011 0.000 1.109 258 N CA -0.117 52.928 53.050 -0.007 0.000 0.855 258 N CB 0.285 38.768 38.487 -0.007 0.000 0.974 258 N HN 0.796 nan 8.380 nan 0.000 0.482 259 A N 0.718 123.528 122.820 -0.017 0.000 2.425 259 A HA 0.597 4.917 4.320 -0.000 0.000 0.249 259 A C 0.579 178.146 177.584 -0.028 0.000 1.084 259 A CA -0.426 51.595 52.037 -0.027 0.000 0.781 259 A CB 0.154 19.130 19.000 -0.039 0.000 1.019 259 A HN 0.249 nan 8.150 nan 0.000 0.490 260 A N 3.668 126.470 122.820 -0.031 0.000 2.483 260 A HA 0.500 4.820 4.320 -0.000 0.000 0.238 260 A C -2.277 175.281 177.584 -0.042 0.000 1.070 260 A CA -1.003 51.018 52.037 -0.026 0.000 0.770 260 A CB -0.668 18.316 19.000 -0.025 0.000 1.008 260 A HN 0.631 nan 8.150 nan 0.000 0.497 261 P HA 0.210 nan 4.420 nan 0.000 0.261 261 P C 1.044 178.282 177.300 -0.103 0.000 1.183 261 P CA 2.106 65.217 63.100 0.018 0.000 0.761 261 P CB 0.555 32.327 31.700 0.119 0.000 0.785 262 G N 1.724 110.292 108.800 -0.387 0.000 2.213 262 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.226 262 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.226 262 G C 0.288 174.857 174.900 -0.551 0.000 0.992 262 G CA -0.174 44.421 45.100 -0.841 0.000 0.632 262 G HN 0.558 nan 8.290 nan 0.000 0.511 263 T N 2.087 116.453 114.554 -0.314 0.000 2.853 263 T HA 0.472 4.822 4.350 -0.000 0.000 0.298 263 T C 0.880 175.461 174.700 -0.198 0.000 0.978 263 T CA 0.196 62.175 62.100 -0.202 0.000 1.152 263 T CB 0.967 69.763 68.868 -0.120 0.000 0.914 263 T HN 0.332 nan 8.240 nan 0.000 0.539 264 I N 4.413 124.899 120.570 -0.141 0.000 2.452 264 I HA 0.103 4.273 4.170 -0.000 0.000 0.287 264 I C 1.099 177.187 176.117 -0.049 0.000 1.079 264 I CA -0.029 61.222 61.300 -0.080 0.000 1.387 264 I CB 0.691 38.691 38.000 -0.000 0.000 1.404 264 I HN 0.617 nan 8.210 nan 0.000 0.522 265 L N 5.199 126.395 121.223 -0.045 0.000 2.556 265 L HA 0.357 4.697 4.340 -0.000 0.000 0.226 265 L C 0.580 177.443 176.870 -0.011 0.000 1.089 265 L CA 0.366 55.189 54.840 -0.028 0.000 0.864 265 L CB 0.146 42.185 42.059 -0.032 0.000 1.067 265 L HN 0.634 nan 8.230 nan 0.000 0.477 266 E N -0.251 119.947 120.200 -0.004 0.000 2.400 266 E HA 0.584 4.934 4.350 -0.000 0.000 0.285 266 E C -1.871 174.735 176.600 0.010 0.000 1.005 266 E CA -0.422 55.980 56.400 0.004 0.000 0.816 266 E CB 2.149 31.848 29.700 -0.002 0.000 1.220 266 E HN -0.048 nan 8.360 nan 0.000 0.426 267 A N 4.206 127.038 122.820 0.019 0.000 2.599 267 A HA 0.547 4.867 4.320 -0.000 0.000 0.281 267 A C -1.068 176.524 177.584 0.014 0.000 1.137 267 A CA -0.516 51.534 52.037 0.020 0.000 0.767 267 A CB 0.195 19.239 19.000 0.074 0.000 1.266 267 A HN 0.657 nan 8.150 nan 0.000 0.420 268 N N 0.863 119.561 118.700 -0.004 0.000 3.344 268 N HA 0.287 5.027 4.740 -0.000 0.000 0.296 268 N C 0.567 176.070 175.510 -0.012 0.000 1.571 268 N CA -0.727 52.321 53.050 -0.003 0.000 0.844 268 N CB 0.849 39.337 38.487 0.001 0.000 1.718 268 N HN 0.259 nan 8.380 nan 0.000 0.589 269 K N -0.196 120.199 120.400 -0.008 0.000 2.160 269 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 269 K C 1.375 177.969 176.600 -0.011 0.000 1.047 269 K CA 1.935 58.216 56.287 -0.010 0.000 0.930 269 K CB -0.031 32.466 32.500 -0.006 0.000 0.720 269 K HN 0.361 nan 8.250 nan 0.000 0.450 270 Q N -0.635 119.160 119.800 -0.009 0.000 2.369 270 Q HA 0.116 4.456 4.340 -0.000 0.000 0.206 270 Q C 0.287 176.281 176.000 -0.009 0.000 0.963 270 Q CA 0.914 56.713 55.803 -0.006 0.000 0.894 270 Q CB 0.830 29.566 28.738 -0.003 0.000 0.965 270 Q HN 0.507 nan 8.270 nan 0.000 0.475 271 G N -1.152 107.636 108.800 -0.021 0.000 2.351 271 G HA2 0.046 4.006 3.960 -0.000 0.000 0.353 271 G HA3 0.046 4.006 3.960 -0.000 0.000 0.353 271 G C -1.528 173.345 174.900 -0.046 0.000 1.358 271 G CA -1.037 44.044 45.100 -0.031 0.000 0.995 271 G HN 0.015 nan 8.290 nan 0.000 0.611 272 I N 1.438 121.967 120.570 -0.070 0.000 2.328 272 I HA 0.284 4.454 4.170 -0.000 0.000 0.287 272 I C 0.418 176.516 176.117 -0.031 0.000 1.012 272 I CA -0.411 60.844 61.300 -0.076 0.000 1.195 272 I CB 1.543 39.417 38.000 -0.209 0.000 1.350 272 I HN 0.388 nan 8.210 nan 0.000 0.464 273 Q N 5.509 125.297 119.800 -0.020 0.000 2.279 273 Q HA 0.513 4.853 4.340 -0.000 0.000 0.256 273 Q C -0.945 175.022 176.000 -0.053 0.000 0.937 273 Q CA -0.496 55.296 55.803 -0.018 0.000 0.933 273 Q CB 2.336 31.067 28.738 -0.013 0.000 1.189 273 Q HN 0.408 nan 8.270 nan 0.000 0.417 274 V N 1.521 121.391 119.914 -0.074 0.000 2.540 274 V HA 0.546 4.666 4.120 -0.000 0.000 0.302 274 V C -0.153 175.856 176.094 -0.143 0.000 1.035 274 V CA -1.016 61.154 62.300 -0.217 0.000 0.873 274 V CB 1.670 33.184 31.823 -0.514 0.000 0.992 274 V HN 0.890 nan 8.190 nan 0.000 0.428 275 A N 3.545 126.268 122.820 -0.162 0.000 2.425 275 A HA 0.689 5.009 4.320 -0.000 0.000 0.249 275 A C 0.598 178.172 177.584 -0.016 0.000 1.084 275 A CA 0.492 52.486 52.037 -0.071 0.000 0.781 275 A CB 0.328 19.284 19.000 -0.073 0.000 1.019 275 A HN 1.117 nan 8.150 nan 0.000 0.490 276 T N -1.349 113.247 114.554 0.071 0.000 2.724 276 T HA 0.594 4.944 4.350 -0.000 0.000 0.274 276 T C 1.184 175.940 174.700 0.093 0.000 0.984 276 T CA 0.090 62.287 62.100 0.162 0.000 1.024 276 T CB 1.021 70.004 68.868 0.193 0.000 1.320 276 T HN 0.972 nan 8.240 nan 0.000 0.555 277 G N -0.468 108.388 108.800 0.093 0.000 2.598 277 G HA2 0.203 4.163 3.960 -0.000 0.000 0.215 277 G HA3 0.203 4.163 3.960 -0.000 0.000 0.215 277 G C 0.027 174.946 174.900 0.032 0.000 1.131 277 G CA 0.727 45.859 45.100 0.053 0.000 0.785 277 G HN 0.913 nan 8.290 nan 0.000 0.539 278 D N -1.491 118.930 120.400 0.034 0.000 2.296 278 D HA 0.449 5.089 4.640 -0.000 0.000 0.224 278 D C 0.199 176.512 176.300 0.021 0.000 1.324 278 D CA 0.783 54.794 54.000 0.019 0.000 0.940 278 D CB 0.231 41.035 40.800 0.007 0.000 1.492 278 D HN 0.681 nan 8.370 nan 0.000 0.531 279 G N 1.662 110.474 108.800 0.020 0.000 2.631 279 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.504 279 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.504 279 G C -0.898 174.020 174.900 0.030 0.000 1.306 279 G CA -0.454 44.658 45.100 0.019 0.000 0.897 279 G HN 0.561 nan 8.290 nan 0.000 0.520 280 I N -0.052 120.535 120.570 0.028 0.000 2.433 280 I HA 0.530 4.700 4.170 -0.000 0.000 0.292 280 I C -0.128 176.020 176.117 0.053 0.000 1.001 280 I CA -0.886 60.434 61.300 0.033 0.000 1.119 280 I CB 1.771 39.778 38.000 0.013 0.000 1.289 280 I HN 0.559 nan 8.210 nan 0.000 0.438 281 L N 6.499 127.777 121.223 0.091 0.000 2.272 281 L HA 0.427 4.767 4.340 -0.000 0.000 0.289 281 L C -0.374 176.552 176.870 0.093 0.000 1.032 281 L CA -0.040 54.872 54.840 0.119 0.000 0.810 281 L CB 0.904 43.105 42.059 0.238 0.000 1.205 281 L HN 0.484 nan 8.230 nan 0.000 0.422 282 N N 5.006 123.744 118.700 0.064 0.000 2.500 282 N HA 0.311 5.051 4.740 -0.000 0.000 0.236 282 N C -1.162 174.379 175.510 0.052 0.000 1.022 282 N CA -0.256 52.819 53.050 0.042 0.000 0.935 282 N CB 0.320 38.822 38.487 0.025 0.000 1.147 282 N HN 0.615 nan 8.380 nan 0.000 0.512 283 L N 4.270 125.526 121.223 0.054 0.000 2.418 283 L HA 0.159 4.499 4.340 -0.000 0.000 0.274 283 L C 1.143 178.023 176.870 0.016 0.000 1.135 283 L CA -0.084 54.790 54.840 0.057 0.000 0.870 283 L CB 0.667 42.763 42.059 0.061 0.000 1.154 283 L HN 0.539 nan 8.230 nan 0.000 0.462 284 L N 1.506 122.754 121.223 0.043 0.000 2.500 284 L HA 0.199 4.539 4.340 -0.000 0.000 0.219 284 L C 0.792 177.687 176.870 0.041 0.000 1.057 284 L CA 0.418 55.277 54.840 0.031 0.000 0.854 284 L CB 0.439 42.523 42.059 0.042 0.000 1.078 284 L HN 0.574 nan 8.230 nan 0.000 0.480 285 S N 0.427 116.183 115.700 0.094 0.000 2.677 285 S HA 0.663 5.133 4.470 -0.000 0.000 0.283 285 S C -1.031 173.701 174.600 0.220 0.000 1.159 285 S CA -0.539 57.733 58.200 0.120 0.000 1.001 285 S CB 0.744 64.027 63.200 0.140 0.000 1.032 285 S HN 0.040 nan 8.310 nan 0.000 0.487 286 L N 3.604 124.941 121.223 0.190 0.000 2.341 286 L HA 0.655 4.995 4.340 -0.000 0.000 0.267 286 L C -0.377 176.673 176.870 0.299 0.000 1.009 286 L CA -0.748 54.267 54.840 0.291 0.000 0.819 286 L CB 2.234 44.440 42.059 0.244 0.000 1.323 286 L HN 0.600 nan 8.230 nan 0.000 0.425 287 Q N 2.548 122.586 119.800 0.398 0.000 2.397 287 Q HA 0.403 4.743 4.340 -0.000 0.000 0.260 287 Q C -2.615 173.576 176.000 0.320 0.000 1.002 287 Q CA -1.667 54.330 55.803 0.322 0.000 0.716 287 Q CB 2.504 31.500 28.738 0.430 0.000 1.258 287 Q HN 0.245 nan 8.270 nan 0.000 0.477 288 P HA 0.042 nan 4.420 nan 0.000 0.271 288 P C -0.955 176.489 177.300 0.240 0.000 1.218 288 P CA 0.011 63.322 63.100 0.350 0.000 0.780 288 P CB 0.726 32.653 31.700 0.378 0.000 0.901 289 A N 3.055 126.003 122.820 0.213 0.000 2.567 289 A HA 0.355 4.675 4.320 -0.000 0.000 0.240 289 A C 1.589 179.242 177.584 0.116 0.000 1.053 289 A CA 0.811 52.930 52.037 0.136 0.000 0.755 289 A CB -1.542 17.518 19.000 0.099 0.000 0.978 289 A HN 0.903 nan 8.150 nan 0.000 0.507 290 G N 1.377 110.230 108.800 0.089 0.000 2.166 290 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.260 290 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.260 290 G C 0.326 175.264 174.900 0.064 0.000 0.986 290 G CA 1.055 46.196 45.100 0.068 0.000 0.683 290 G HN 0.783 nan 8.290 nan 0.000 0.527 291 K N -0.546 119.902 120.400 0.080 0.000 2.279 291 K HA 0.584 4.904 4.320 -0.000 0.000 0.238 291 K C 0.477 177.100 176.600 0.038 0.000 1.084 291 K CA -0.950 55.371 56.287 0.058 0.000 0.885 291 K CB 0.930 33.473 32.500 0.071 0.000 1.319 291 K HN 0.157 nan 8.250 nan 0.000 0.494 292 K N 0.372 120.775 120.400 0.004 0.000 2.138 292 K HA 0.354 4.674 4.320 -0.000 0.000 0.251 292 K C -0.392 176.166 176.600 -0.070 0.000 1.015 292 K CA -0.292 55.966 56.287 -0.049 0.000 0.917 292 K CB 0.899 33.366 32.500 -0.055 0.000 1.021 292 K HN 0.666 nan 8.250 nan 0.000 0.485 293 A N 3.463 126.162 122.820 -0.202 0.000 2.396 293 A HA 0.268 4.588 4.320 -0.000 0.000 0.279 293 A C -0.381 177.112 177.584 -0.151 0.000 1.165 293 A CA -0.123 51.744 52.037 -0.284 0.000 0.824 293 A CB -0.193 18.354 19.000 -0.755 0.000 1.100 293 A HN 0.620 nan 8.150 nan 0.000 0.516 294 M N 2.731 122.304 119.600 -0.046 0.000 2.404 294 M HA 0.341 4.821 4.480 -0.000 0.000 0.338 294 M C 0.754 177.047 176.300 -0.012 0.000 1.150 294 M CA -0.375 54.912 55.300 -0.022 0.000 1.016 294 M CB 2.028 34.636 32.600 0.014 0.000 1.672 294 M HN 0.795 nan 8.290 nan 0.000 0.448 295 S N 1.414 117.101 115.700 -0.022 0.000 2.614 295 S HA 0.450 4.920 4.470 -0.000 0.000 0.265 295 S C 1.142 175.723 174.600 -0.032 0.000 1.303 295 S CA -0.269 57.919 58.200 -0.020 0.000 1.000 295 S CB 1.113 64.301 63.200 -0.020 0.000 0.935 295 S HN 0.787 nan 8.310 nan 0.000 0.551 296 A N 0.579 123.370 122.820 -0.047 0.000 1.948 296 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 296 A C 2.297 179.847 177.584 -0.056 0.000 1.177 296 A CA 1.946 53.931 52.037 -0.087 0.000 0.636 296 A CB -1.211 17.740 19.000 -0.083 0.000 0.815 296 A HN 0.958 nan 8.150 nan 0.000 0.449 297 Q N -0.713 119.069 119.800 -0.031 0.000 2.079 297 Q HA -0.217 4.123 4.340 -0.000 0.000 0.200 297 Q C 1.265 177.259 176.000 -0.011 0.000 0.974 297 Q CA 1.693 57.486 55.803 -0.017 0.000 0.840 297 Q CB -0.149 28.582 28.738 -0.013 0.000 0.898 297 Q HN 0.615 nan 8.270 nan 0.000 0.430 298 D N 0.240 120.632 120.400 -0.014 0.000 2.117 298 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 298 D C 1.837 178.138 176.300 0.001 0.000 0.987 298 D CA 0.630 54.624 54.000 -0.010 0.000 0.829 298 D CB -0.015 40.777 40.800 -0.014 0.000 0.961 298 D HN 0.214 nan 8.370 nan 0.000 0.460 299 L N 0.550 121.778 121.223 0.008 0.000 2.083 299 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 299 L C 2.323 179.248 176.870 0.092 0.000 1.083 299 L CA 1.081 55.956 54.840 0.058 0.000 0.752 299 L CB -0.873 41.187 42.059 0.001 0.000 0.899 299 L HN 0.086 nan 8.230 nan 0.000 0.433 300 L N -1.374 119.881 121.223 0.053 0.000 2.376 300 L HA -0.144 4.196 4.340 -0.000 0.000 0.219 300 L C 1.771 178.663 176.870 0.036 0.000 1.133 300 L CA 0.750 55.634 54.840 0.073 0.000 0.816 300 L CB -0.435 41.651 42.059 0.045 0.000 0.933 300 L HN 0.386 nan 8.230 nan 0.000 0.449 301 N N -1.007 117.700 118.700 0.012 0.000 2.368 301 N HA -0.088 4.652 4.740 -0.000 0.000 0.176 301 N C 1.721 177.213 175.510 -0.030 0.000 1.021 301 N CA 1.022 54.067 53.050 -0.008 0.000 0.888 301 N CB 0.277 38.757 38.487 -0.012 0.000 0.995 301 N HN 0.218 nan 8.380 nan 0.000 0.437 302 S N -0.943 114.731 115.700 -0.043 0.000 2.526 302 S HA 0.296 4.766 4.470 -0.000 0.000 0.220 302 S C 0.912 175.396 174.600 -0.192 0.000 1.017 302 S CA -0.305 57.837 58.200 -0.095 0.000 0.930 302 S CB 0.608 63.757 63.200 -0.084 0.000 0.856 302 S HN 0.048 nan 8.310 nan 0.000 0.497 303 R N 0.889 121.292 120.500 -0.162 0.000 2.617 303 R HA 0.359 4.699 4.340 -0.000 0.000 0.432 303 R C 1.066 177.328 176.300 -0.064 0.000 1.018 303 R CA -0.237 55.648 56.100 -0.360 0.000 1.077 303 R CB -0.314 29.718 30.300 -0.446 0.000 1.394 303 R HN 0.341 nan 8.270 nan 0.000 0.608 304 R N 2.072 122.569 120.500 -0.005 0.000 2.112 304 R HA -0.181 4.159 4.340 -0.000 0.000 0.242 304 R C 1.438 177.790 176.300 0.086 0.000 1.137 304 R CA 2.291 58.443 56.100 0.088 0.000 0.944 304 R CB 0.217 30.537 30.300 0.034 0.000 0.857 304 R HN 0.237 nan 8.270 nan 0.000 0.435 305 E N -0.512 119.692 120.200 0.006 0.000 2.331 305 E HA -0.208 4.142 4.350 -0.000 0.000 0.199 305 E C 1.375 178.040 176.600 0.109 0.000 1.008 305 E CA 0.912 57.339 56.400 0.045 0.000 0.843 305 E CB -0.446 29.273 29.700 0.032 0.000 0.761 305 E HN 0.467 nan 8.360 nan 0.000 0.507 306 W N 0.154 121.283 121.300 -0.284 0.000 2.658 306 W HA 0.160 4.820 4.660 -0.000 0.000 0.263 306 W C 0.455 176.422 176.519 -0.920 0.000 1.274 306 W CA 0.062 57.008 57.345 -0.665 0.000 1.343 306 W CB -0.228 28.621 29.460 -1.019 0.000 1.106 306 W HN -0.029 nan 8.180 nan 0.000 0.615 307 F N -0.426 119.662 119.950 0.231 0.000 2.577 307 F HA 0.304 4.831 4.527 -0.000 0.000 0.342 307 F C -0.177 175.662 175.800 0.065 0.000 1.479 307 F CA -0.952 57.120 58.000 0.120 0.000 1.110 307 F CB -0.345 38.728 39.000 0.122 0.000 1.306 307 F HN -0.525 nan 8.300 nan 0.000 0.554 308 V N 2.636 122.630 119.914 0.132 0.000 2.432 308 V HA 0.277 4.397 4.120 -0.000 0.000 0.271 308 V C -1.971 174.158 176.094 0.059 0.000 1.046 308 V CA -1.989 60.363 62.300 0.087 0.000 0.945 308 V CB 1.043 32.895 31.823 0.050 0.000 0.992 308 V HN 0.136 nan 8.190 nan 0.000 0.471 309 P HA 0.193 nan 4.420 nan 0.000 0.265 309 P C 1.025 178.328 177.300 0.006 0.000 1.187 309 P CA 1.508 64.622 63.100 0.024 0.000 0.766 309 P CB 0.623 32.335 31.700 0.021 0.000 0.820 310 G N 1.610 110.403 108.800 -0.012 0.000 2.258 310 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.233 310 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.233 310 G C 0.468 175.351 174.900 -0.028 0.000 1.006 310 G CA -0.368 44.721 45.100 -0.019 0.000 0.620 310 G HN 0.525 nan 8.290 nan 0.000 0.511 311 N N 0.546 119.231 118.700 -0.026 0.000 2.445 311 N HA 0.553 5.293 4.740 -0.000 0.000 0.264 311 N C 0.109 175.575 175.510 -0.073 0.000 1.227 311 N CA -0.120 52.907 53.050 -0.040 0.000 0.963 311 N CB 0.592 39.060 38.487 -0.030 0.000 1.188 311 N HN 0.284 nan 8.380 nan 0.000 0.491 312 R N 1.328 121.777 120.500 -0.086 0.000 2.437 312 R HA 0.407 4.747 4.340 -0.000 0.000 0.310 312 R C -0.475 175.740 176.300 -0.141 0.000 0.955 312 R CA -0.643 55.379 56.100 -0.130 0.000 0.851 312 R CB 0.931 31.171 30.300 -0.100 0.000 1.161 312 R HN 0.480 nan 8.270 nan 0.000 0.446 313 L N 3.835 124.923 121.223 -0.226 0.000 2.436 313 L HA 0.268 4.608 4.340 -0.000 0.000 0.265 313 L C 0.506 177.356 176.870 -0.034 0.000 1.168 313 L CA -0.139 54.609 54.840 -0.152 0.000 0.815 313 L CB 0.811 42.758 42.059 -0.188 0.000 1.109 313 L HN 0.446 nan 8.230 nan 0.000 0.462 314 V N 0.000 119.955 119.914 0.068 0.000 2.409 314 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 314 V CA 0.000 62.360 62.300 0.101 0.000 1.235 314 V CB 0.000 31.985 31.823 0.270 0.000 1.184 314 V HN 0.000 nan 8.190 nan 0.000 0.556