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 1yge_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFSAGHKIKG TVVLMPKNEL EVNPDGSAVD NLNAFLGRSV SLQLISATKA DATA SEQUENCE DAHGKGKVGK DTFLEGINTS LPTLGAGESA FNIHFEWDGS MGIPGAFYIK DATA SEQUENCE NYMQVEFFLK SLTLEAISNQ GTIRFVCNSW VYNTKLYKSV RIFFANHTYV DATA SEQUENCE PSETPAPLVS YREEELKSLR GNGTGERKEY DRIYDYDVYN DLGNPDKSEK DATA SEQUENCE LARPVLGGSS TFPYPRRGRT GRGPTVTDPN TEKQGEVFYV PRDENLGHLK DATA SEQUENCE SKDALEIGTK SLSQIVQPAF ESAFDLKSTP IEFHSFQDVH DLYEGGIKLP DATA SEQUENCE RDVISTIIPL PVIKELYRTD GQHILKFPQP HVVQVSQSAW MTDEEFAREM DATA SEQUENCE IAGVNPCVIR GLEEFPPKSN LDPAIYGDQS SKITADSLDL DGYTMDEALG DATA SEQUENCE SRRLFMLDYH DIFMPYVRQI NQLNSAKTYA TRTILFLRED GTLKPVAIEL DATA SEQUENCE SLPHSAGDLS AAVSQVVLPA KEGVESTIWL LAKAYVIVND SCYHQLMSHW DATA SEQUENCE LNTHAAMEPF VIATHRHLSV LHPIYKLLTP HYRNNMNINA LARQSLINAN DATA SEQUENCE GIIETTFLPS KYSVEMSSAV YKNWVFTDQA LPADLIKRGV AIKDPSTPHG DATA SEQUENCE VRLLIEDYPY AADGLEIWAA IKTWVQEYVP LYYARDDDVK NDSELQHWWK DATA SEQUENCE EAVEKGHGDL KDKPWWPKLQ TLEDLVEVCL IIIWIASALH AAVNFGQYPY DATA SEQUENCE GGLIMNRPTA SRRLLPEKGT PEYEEMINNH EKAYLRTITS KLPTLISLSV DATA SEQUENCE IEILSTHASD EVYLGQRDNP HWTSDSKALQ AFQKFGNKLK EIEEKLVRRN DATA SEQUENCE NDPSLQGNRL GPVQLPYTLL YPSSEEGLTF RGIPNSISI 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.073 176.300 -0.378 0.000 1.140 1 M CA 0.000 55.043 55.300 -0.428 0.000 0.988 1 M CB 0.000 32.490 32.600 -0.184 0.000 1.302 2 F N 0.783 120.728 119.950 -0.009 0.000 2.404 2 F HA 0.573 5.102 4.527 0.003 0.000 0.345 2 F C 0.364 176.215 175.800 0.085 0.000 1.110 2 F CA -0.467 57.557 58.000 0.039 0.000 1.130 2 F CB 1.332 40.250 39.000 -0.136 0.000 1.129 2 F HN 0.359 nan 8.300 nan 0.000 0.500 3 S N 2.221 118.103 115.700 0.304 0.000 2.279 3 S HA 0.511 4.983 4.470 0.003 0.000 0.176 3 S C 0.363 175.072 174.600 0.181 0.000 1.554 3 S CA -0.437 57.879 58.200 0.193 0.000 1.242 3 S CB 1.113 64.380 63.200 0.112 0.000 1.163 3 S HN 1.003 nan 8.310 nan 0.000 0.449 4 A N 0.814 123.753 122.820 0.197 0.000 2.790 4 A HA -0.080 4.242 4.320 0.003 0.000 0.277 4 A C 0.808 178.396 177.584 0.006 0.000 1.435 4 A CA 1.065 53.131 52.037 0.049 0.000 0.877 4 A CB -1.556 17.453 19.000 0.015 0.000 1.007 4 A HN 1.394 nan 8.150 nan 0.000 0.613 5 G N -0.605 108.299 108.800 0.174 0.000 3.025 5 G HA2 0.539 4.501 3.960 0.003 0.000 0.305 5 G HA3 0.539 4.501 3.960 0.003 0.000 0.305 5 G C -0.652 174.531 174.900 0.472 0.000 1.568 5 G CA -0.346 44.869 45.100 0.192 0.000 0.916 5 G HN 0.466 nan 8.290 nan 0.000 0.502 6 H N 0.820 120.024 119.070 0.223 0.000 2.546 6 H HA 0.421 4.979 4.556 0.003 0.000 0.365 6 H C 0.334 175.893 175.328 0.385 0.000 1.220 6 H CA -0.253 55.964 56.048 0.281 0.000 1.386 6 H CB 1.148 30.833 29.762 -0.127 0.000 1.510 6 H HN 0.296 nan 8.280 nan 0.000 0.591 7 K N 1.586 122.374 120.400 0.647 0.000 2.159 7 K HA 0.462 4.784 4.320 0.003 0.000 0.266 7 K C -0.243 176.614 176.600 0.428 0.000 0.975 7 K CA -0.366 56.229 56.287 0.514 0.000 0.865 7 K CB 1.519 34.294 32.500 0.458 0.000 1.087 7 K HN 0.380 nan 8.250 nan 0.000 0.446 8 I N 2.928 123.743 120.570 0.409 0.000 2.362 8 I HA 0.180 4.352 4.170 0.003 0.000 0.289 8 I C -0.031 176.246 176.117 0.266 0.000 0.994 8 I CA -0.781 60.695 61.300 0.295 0.000 1.158 8 I CB 1.433 39.553 38.000 0.199 0.000 1.315 8 I HN 0.452 nan 8.210 nan 0.000 0.451 9 K N 5.199 125.688 120.400 0.148 0.000 2.297 9 K HA 0.557 4.879 4.320 0.003 0.000 0.286 9 K C -0.141 176.422 176.600 -0.062 0.000 1.053 9 K CA -0.173 56.058 56.287 -0.094 0.000 0.940 9 K CB 1.054 33.550 32.500 -0.007 0.000 1.019 9 K HN 0.835 nan 8.250 nan 0.000 0.475 10 G N 1.561 110.287 108.800 -0.123 0.000 2.605 10 G HA2 0.506 4.468 3.960 0.003 0.000 0.296 10 G HA3 0.506 4.468 3.960 0.003 0.000 0.296 10 G C -1.371 173.472 174.900 -0.095 0.000 1.304 10 G CA -0.540 44.541 45.100 -0.032 0.000 0.941 10 G HN 0.496 nan 8.290 nan 0.000 0.475 11 T N 0.209 114.717 114.554 -0.078 0.000 2.879 11 T HA 0.507 4.859 4.350 0.003 0.000 0.290 11 T C -0.657 173.993 174.700 -0.083 0.000 0.993 11 T CA -0.331 61.723 62.100 -0.075 0.000 0.975 11 T CB 1.778 70.607 68.868 -0.066 0.000 0.981 11 T HN 0.389 nan 8.240 nan 0.000 0.439 12 V N 3.794 123.672 119.914 -0.059 0.000 2.398 12 V HA 0.516 4.638 4.120 0.003 0.000 0.286 12 V C -0.204 175.877 176.094 -0.022 0.000 1.026 12 V CA -0.684 61.569 62.300 -0.078 0.000 0.868 12 V CB 1.676 33.436 31.823 -0.106 0.000 0.982 12 V HN 0.720 nan 8.190 nan 0.000 0.443 13 V N 6.861 126.735 119.914 -0.066 0.000 2.417 13 V HA 0.670 4.791 4.120 0.003 0.000 0.291 13 V C -0.350 175.688 176.094 -0.094 0.000 1.024 13 V CA -0.450 61.814 62.300 -0.061 0.000 0.861 13 V CB 1.351 33.142 31.823 -0.054 0.000 0.985 13 V HN 0.793 nan 8.190 nan 0.000 0.436 14 L N 2.641 123.805 121.223 -0.098 0.000 2.403 14 L HA 0.826 5.168 4.340 0.003 0.000 0.253 14 L C -0.810 176.012 176.870 -0.081 0.000 1.045 14 L CA -0.926 53.831 54.840 -0.137 0.000 0.845 14 L CB 2.214 44.067 42.059 -0.343 0.000 1.447 14 L HN 0.472 nan 8.230 nan 0.000 0.411 15 M N 1.399 121.004 119.600 0.008 0.000 2.190 15 M HA 0.526 5.007 4.480 0.003 0.000 0.312 15 M C -2.560 173.823 176.300 0.139 0.000 0.990 15 M CA -1.328 54.008 55.300 0.060 0.000 0.927 15 M CB 2.261 34.920 32.600 0.100 0.000 1.571 15 M HN 0.394 nan 8.290 nan 0.000 0.427 16 P HA 0.058 nan 4.420 nan 0.000 0.269 16 P C 0.247 177.768 177.300 0.370 0.000 1.209 16 P CA -0.095 63.226 63.100 0.369 0.000 0.776 16 P CB 0.716 32.648 31.700 0.385 0.000 0.876 17 K N 3.649 124.327 120.400 0.464 0.000 2.089 17 K HA -0.270 4.052 4.320 0.003 0.000 0.210 17 K C 1.274 178.057 176.600 0.305 0.000 1.048 17 K CA 2.009 58.579 56.287 0.473 0.000 0.926 17 K CB -0.391 32.304 32.500 0.325 0.000 0.714 17 K HN 0.492 nan 8.250 nan 0.000 0.448 18 N N 0.457 119.292 118.700 0.226 0.000 2.666 18 N HA -0.152 4.590 4.740 0.003 0.000 0.194 18 N C 0.530 176.129 175.510 0.147 0.000 1.220 18 N CA 0.923 54.069 53.050 0.159 0.000 0.928 18 N CB 0.080 38.647 38.487 0.134 0.000 0.997 18 N HN 0.365 nan 8.380 nan 0.000 0.447 19 E N 0.029 120.333 120.200 0.174 0.000 2.175 19 E HA 0.118 4.470 4.350 0.003 0.000 0.195 19 E C 1.637 178.309 176.600 0.120 0.000 0.934 19 E CA 0.331 56.809 56.400 0.130 0.000 0.870 19 E CB -0.062 29.706 29.700 0.113 0.000 0.838 19 E HN 0.303 nan 8.360 nan 0.000 0.474 20 L N 0.560 121.883 121.223 0.165 0.000 2.446 20 L HA 0.120 4.462 4.340 0.003 0.000 0.219 20 L C 0.261 177.221 176.870 0.149 0.000 1.116 20 L CA 0.839 55.763 54.840 0.140 0.000 0.844 20 L CB 0.119 42.276 42.059 0.163 0.000 0.970 20 L HN -0.088 nan 8.230 nan 0.000 0.457 21 E N -0.655 119.636 120.200 0.150 0.000 2.649 21 E HA 0.329 4.680 4.350 0.003 0.000 0.310 21 E C -1.498 175.153 176.600 0.086 0.000 1.036 21 E CA -0.115 56.346 56.400 0.102 0.000 0.772 21 E CB 2.243 31.981 29.700 0.064 0.000 1.513 21 E HN -0.145 nan 8.360 nan 0.000 0.384 22 V N 2.925 122.886 119.914 0.078 0.000 2.769 22 V HA 0.692 4.814 4.120 0.003 0.000 0.312 22 V C -0.908 175.216 176.094 0.049 0.000 1.058 22 V CA -0.325 62.015 62.300 0.066 0.000 0.952 22 V CB 1.893 33.757 31.823 0.069 0.000 1.019 22 V HN 0.705 nan 8.190 nan 0.000 0.445 23 N N 3.976 122.700 118.700 0.041 0.000 2.745 23 N HA 0.363 5.105 4.740 0.003 0.000 0.256 23 N C -2.462 173.066 175.510 0.029 0.000 1.268 23 N CA -0.837 52.231 53.050 0.031 0.000 0.887 23 N CB 2.580 41.082 38.487 0.025 0.000 1.575 23 N HN 0.348 nan 8.380 nan 0.000 0.496 24 P HA -0.161 nan 4.420 nan 0.000 0.214 24 P C -0.393 176.921 177.300 0.023 0.000 1.172 24 P CA 1.753 64.866 63.100 0.022 0.000 0.925 24 P CB -0.055 31.655 31.700 0.017 0.000 0.793 25 D N -0.719 119.693 120.400 0.020 0.000 3.085 25 D HA 0.374 5.016 4.640 0.003 0.000 0.243 25 D C 1.073 177.386 176.300 0.022 0.000 1.232 25 D CA 0.221 54.232 54.000 0.019 0.000 0.913 25 D CB -0.744 40.065 40.800 0.014 0.000 1.108 25 D HN 0.268 nan 8.370 nan 0.000 0.468 26 G N -0.751 108.066 108.800 0.029 0.000 4.250 26 G HA2 -0.016 3.946 3.960 0.003 0.000 0.242 26 G HA3 -0.016 3.946 3.960 0.003 0.000 0.242 26 G C 0.362 175.291 174.900 0.048 0.000 1.075 26 G CA -0.394 44.727 45.100 0.035 0.000 0.846 26 G HN 0.145 nan 8.290 nan 0.000 0.445 27 S N 1.536 117.264 115.700 0.047 0.000 2.912 27 S HA 0.478 4.950 4.470 0.003 0.000 0.184 27 S C 0.954 175.587 174.600 0.054 0.000 1.390 27 S CA 0.056 58.291 58.200 0.058 0.000 1.088 27 S CB 1.016 64.248 63.200 0.054 0.000 1.284 27 S HN 0.536 nan 8.310 nan 0.000 0.502 28 A N 2.086 124.938 122.820 0.053 0.000 2.604 28 A HA 0.327 4.649 4.320 0.003 0.000 0.248 28 A C 1.788 179.401 177.584 0.049 0.000 1.466 28 A CA -0.210 51.852 52.037 0.042 0.000 1.222 28 A CB -1.259 17.760 19.000 0.032 0.000 0.945 28 A HN 0.728 nan 8.150 nan 0.000 0.600 29 V N -1.803 118.150 119.914 0.065 0.000 2.316 29 V HA -0.443 3.679 4.120 0.003 0.000 0.247 29 V C 1.054 177.190 176.094 0.070 0.000 1.028 29 V CA 1.959 64.309 62.300 0.083 0.000 1.105 29 V CB -1.412 30.456 31.823 0.074 0.000 0.781 29 V HN 0.717 nan 8.190 nan 0.000 0.494 30 D N 0.789 121.212 120.400 0.038 0.000 2.689 30 D HA -0.169 4.473 4.640 0.003 0.000 0.237 30 D C 0.074 176.393 176.300 0.032 0.000 1.148 30 D CA 1.137 55.137 54.000 -0.000 0.000 0.656 30 D CB -1.702 39.061 40.800 -0.062 0.000 1.050 30 D HN 0.930 nan 8.370 nan 0.000 0.426 31 N N -0.129 118.630 118.700 0.098 0.000 2.147 31 N HA -0.118 4.624 4.740 0.003 0.000 0.243 31 N C 2.023 177.692 175.510 0.264 0.000 1.234 31 N CA 0.608 53.764 53.050 0.177 0.000 0.847 31 N CB 0.250 38.810 38.487 0.123 0.000 1.083 31 N HN 0.221 nan 8.380 nan 0.000 0.457 32 L N 0.297 121.754 121.223 0.391 0.000 2.353 32 L HA -0.488 3.853 4.340 0.003 0.000 0.232 32 L C 1.688 178.881 176.870 0.539 0.000 1.132 32 L CA 1.941 57.099 54.840 0.528 0.000 0.857 32 L CB -0.697 41.493 42.059 0.217 0.000 0.941 32 L HN 0.682 nan 8.230 nan 0.000 0.451 33 N N -0.350 118.519 118.700 0.281 0.000 2.364 33 N HA -0.130 4.612 4.740 0.003 0.000 0.183 33 N C 1.734 177.326 175.510 0.137 0.000 1.022 33 N CA 1.215 54.385 53.050 0.200 0.000 0.883 33 N CB -0.089 38.465 38.487 0.111 0.000 0.965 33 N HN 0.511 nan 8.380 nan 0.000 0.438 34 A N 0.205 123.066 122.820 0.067 0.000 2.119 34 A HA -0.017 4.305 4.320 0.003 0.000 0.217 34 A C 1.422 178.901 177.584 -0.175 0.000 1.153 34 A CA 0.615 52.593 52.037 -0.097 0.000 0.692 34 A CB -0.515 18.358 19.000 -0.211 0.000 0.799 34 A HN 0.166 nan 8.150 nan 0.000 0.458 35 F N -0.000 119.946 119.950 -0.006 0.000 2.780 35 F HA 0.211 4.740 4.527 0.003 0.000 0.299 35 F C 1.100 176.800 175.800 -0.167 0.000 1.146 35 F CA 0.174 58.073 58.000 -0.169 0.000 1.428 35 F CB -0.274 38.446 39.000 -0.467 0.000 1.115 35 F HN 0.087 nan 8.300 nan 0.000 0.583 36 L N -1.538 119.750 121.223 0.107 0.000 2.985 36 L HA 0.597 4.939 4.340 0.003 0.000 0.201 36 L C 1.649 178.543 176.870 0.041 0.000 1.291 36 L CA -0.126 54.766 54.840 0.088 0.000 1.141 36 L CB -0.705 41.426 42.059 0.121 0.000 2.131 36 L HN 0.243 nan 8.230 nan 0.000 0.538 37 G N -0.015 108.790 108.800 0.009 0.000 2.583 37 G HA2 -0.331 3.631 3.960 0.003 0.000 0.292 37 G HA3 -0.331 3.631 3.960 0.003 0.000 0.292 37 G C 0.396 175.188 174.900 -0.180 0.000 1.203 37 G CA 0.386 45.438 45.100 -0.080 0.000 0.987 37 G HN 0.624 nan 8.290 nan 0.000 0.554 38 R N 0.588 120.910 120.500 -0.295 0.000 2.609 38 R HA 0.418 4.760 4.340 0.003 0.000 0.326 38 R C 2.125 178.430 176.300 0.008 0.000 1.090 38 R CA 0.537 56.275 56.100 -0.603 0.000 1.072 38 R CB 0.280 30.082 30.300 -0.830 0.000 1.330 38 R HN 0.321 nan 8.270 nan 0.000 0.572 39 S N 0.165 115.972 115.700 0.178 0.000 2.355 39 S HA -0.012 4.459 4.470 0.003 0.000 0.222 39 S C 0.930 175.825 174.600 0.490 0.000 1.031 39 S CA 0.661 59.032 58.200 0.284 0.000 0.993 39 S CB 0.318 63.589 63.200 0.118 0.000 0.859 39 S HN 0.029 nan 8.310 nan 0.000 0.453 40 V N 1.886 122.081 119.914 0.468 0.000 2.577 40 V HA 0.619 4.740 4.120 0.003 0.000 0.303 40 V C -0.537 175.659 176.094 0.171 0.000 1.042 40 V CA -0.798 61.706 62.300 0.340 0.000 0.872 40 V CB 1.823 33.738 31.823 0.154 0.000 0.998 40 V HN 0.339 nan 8.190 nan 0.000 0.423 41 S N 5.390 121.089 115.700 -0.002 0.000 2.521 41 S HA 0.902 5.374 4.470 0.003 0.000 0.295 41 S C -1.238 173.296 174.600 -0.111 0.000 1.098 41 S CA -0.637 57.329 58.200 -0.389 0.000 0.999 41 S CB 1.697 64.409 63.200 -0.813 0.000 1.034 41 S HN 0.404 nan 8.310 nan 0.000 0.483 42 L N 2.214 123.387 121.223 -0.082 0.000 2.333 42 L HA 0.641 4.983 4.340 0.003 0.000 0.269 42 L C -0.110 176.887 176.870 0.211 0.000 1.010 42 L CA -0.310 54.608 54.840 0.129 0.000 0.818 42 L CB 1.915 44.034 42.059 0.100 0.000 1.306 42 L HN 0.793 nan 8.230 nan 0.000 0.430 43 Q N 1.987 121.949 119.800 0.271 0.000 2.274 43 Q HA 0.563 4.905 4.340 0.003 0.000 0.268 43 Q C -1.362 174.712 176.000 0.123 0.000 1.015 43 Q CA -0.534 55.425 55.803 0.260 0.000 0.775 43 Q CB 2.458 31.367 28.738 0.286 0.000 1.256 43 Q HN 0.463 nan 8.270 nan 0.000 0.442 44 L N 3.310 124.499 121.223 -0.056 0.000 2.439 44 L HA 0.394 4.736 4.340 0.003 0.000 0.269 44 L C -0.167 176.639 176.870 -0.106 0.000 1.179 44 L CA -0.003 54.600 54.840 -0.396 0.000 0.828 44 L CB 0.379 41.789 42.059 -1.082 0.000 1.106 44 L HN 0.492 nan 8.230 nan 0.000 0.467 45 I N 1.217 121.688 120.570 -0.165 0.000 2.509 45 I HA 0.187 4.359 4.170 0.003 0.000 0.293 45 I C 0.060 176.267 176.117 0.150 0.000 1.020 45 I CA -0.292 61.022 61.300 0.023 0.000 1.088 45 I CB 2.107 39.927 38.000 -0.300 0.000 1.267 45 I HN 0.515 nan 8.210 nan 0.000 0.430 46 S N 3.622 119.574 115.700 0.419 0.000 2.545 46 S HA 0.472 4.944 4.470 0.003 0.000 0.275 46 S C 0.856 175.617 174.600 0.269 0.000 1.299 46 S CA -0.043 58.417 58.200 0.434 0.000 1.048 46 S CB 1.375 64.854 63.200 0.465 0.000 0.938 46 S HN 0.736 nan 8.310 nan 0.000 0.496 47 A N 3.408 126.360 122.820 0.220 0.000 2.095 47 A HA 0.136 4.458 4.320 0.003 0.000 0.212 47 A C 1.958 179.611 177.584 0.116 0.000 1.162 47 A CA 1.026 53.166 52.037 0.171 0.000 0.753 47 A CB -0.565 18.533 19.000 0.163 0.000 0.840 47 A HN 0.924 nan 8.150 nan 0.000 0.468 48 T N -3.568 111.062 114.554 0.125 0.000 3.034 48 T HA 0.243 4.595 4.350 0.003 0.000 0.248 48 T C 0.644 175.383 174.700 0.066 0.000 1.040 48 T CA 0.389 62.535 62.100 0.076 0.000 1.107 48 T CB -0.008 68.901 68.868 0.070 0.000 0.932 48 T HN 0.098 nan 8.240 nan 0.000 0.474 49 K N 1.861 122.316 120.400 0.092 0.000 2.265 49 K HA 0.754 5.076 4.320 0.003 0.000 0.267 49 K C -0.865 175.776 176.600 0.067 0.000 0.994 49 K CA -0.479 55.840 56.287 0.053 0.000 0.860 49 K CB 1.357 33.868 32.500 0.017 0.000 1.099 49 K HN 0.399 nan 8.250 nan 0.000 0.448 50 A N 3.199 126.044 122.820 0.042 0.000 2.330 50 A HA 0.537 4.859 4.320 0.003 0.000 0.329 50 A C -0.745 176.858 177.584 0.031 0.000 1.135 50 A CA -0.760 51.305 52.037 0.048 0.000 0.817 50 A CB 0.549 19.567 19.000 0.029 0.000 1.269 50 A HN 0.872 nan 8.150 nan 0.000 0.469 51 D N 0.420 120.849 120.400 0.048 0.000 2.440 51 D HA 0.396 5.037 4.640 0.003 0.000 0.269 51 D C 1.098 177.394 176.300 -0.007 0.000 1.249 51 D CA 0.174 54.193 54.000 0.032 0.000 1.055 51 D CB 0.240 41.087 40.800 0.078 0.000 1.104 51 D HN 0.470 nan 8.370 nan 0.000 0.561 52 A N -1.395 121.385 122.820 -0.068 0.000 2.172 52 A HA -0.147 4.175 4.320 0.003 0.000 0.216 52 A C 1.518 178.993 177.584 -0.183 0.000 1.154 52 A CA 0.892 52.841 52.037 -0.146 0.000 0.701 52 A CB -0.792 18.077 19.000 -0.219 0.000 0.789 52 A HN 0.580 nan 8.150 nan 0.000 0.465 53 H N -1.721 117.343 119.070 -0.009 0.000 2.575 53 H HA 0.230 4.788 4.556 0.003 0.000 0.267 53 H C 1.767 177.070 175.328 -0.041 0.000 0.966 53 H CA 0.679 56.715 56.048 -0.022 0.000 1.165 53 H CB 0.457 30.207 29.762 -0.020 0.000 1.433 53 H HN 0.587 nan 8.280 nan 0.000 0.544 54 G N 1.205 110.042 108.800 0.063 0.000 2.195 54 G HA2 -0.258 3.704 3.960 0.003 0.000 0.246 54 G HA3 -0.258 3.704 3.960 0.003 0.000 0.246 54 G C 0.243 175.123 174.900 -0.035 0.000 0.984 54 G CA -0.057 45.048 45.100 0.009 0.000 0.633 54 G HN 0.313 nan 8.290 nan 0.000 0.525 55 K N 1.003 121.377 120.400 -0.044 0.000 2.205 55 K HA 0.525 4.847 4.320 0.003 0.000 0.279 55 K C 1.088 177.703 176.600 0.026 0.000 1.027 55 K CA -0.123 56.053 56.287 -0.185 0.000 0.932 55 K CB 1.252 33.584 32.500 -0.281 0.000 1.032 55 K HN 0.318 nan 8.250 nan 0.000 0.466 56 G N 2.494 111.385 108.800 0.151 0.000 2.474 56 G HA2 -0.079 3.883 3.960 0.003 0.000 0.233 56 G HA3 -0.079 3.883 3.960 0.003 0.000 0.233 56 G C -0.391 174.697 174.900 0.313 0.000 1.278 56 G CA -0.324 44.950 45.100 0.288 0.000 0.861 56 G HN 0.493 nan 8.290 nan 0.000 0.567 57 K N -0.024 120.512 120.400 0.225 0.000 2.382 57 K HA 0.281 4.603 4.320 0.003 0.000 0.275 57 K C -0.085 176.679 176.600 0.273 0.000 1.009 57 K CA -0.268 56.132 56.287 0.187 0.000 0.970 57 K CB 1.244 33.776 32.500 0.054 0.000 0.934 57 K HN 0.197 nan 8.250 nan 0.000 0.479 58 V N 2.269 122.334 119.914 0.251 0.000 2.435 58 V HA 0.303 4.425 4.120 0.003 0.000 0.290 58 V C 0.891 177.161 176.094 0.293 0.000 1.030 58 V CA -0.811 61.672 62.300 0.304 0.000 0.881 58 V CB 1.396 33.405 31.823 0.310 0.000 0.983 58 V HN 0.976 nan 8.190 nan 0.000 0.445 59 G N 3.444 112.513 108.800 0.450 0.000 2.489 59 G HA2 0.320 4.282 3.960 0.003 0.000 0.271 59 G HA3 0.320 4.282 3.960 0.003 0.000 0.271 59 G C -0.166 174.906 174.900 0.285 0.000 1.427 59 G CA -0.640 44.711 45.100 0.419 0.000 1.057 59 G HN 0.632 nan 8.290 nan 0.000 0.532 60 K N -0.147 120.417 120.400 0.274 0.000 2.098 60 K HA 0.184 4.506 4.320 0.003 0.000 0.257 60 K C -0.777 175.924 176.600 0.168 0.000 0.999 60 K CA -0.516 55.889 56.287 0.197 0.000 0.924 60 K CB 0.784 33.389 32.500 0.174 0.000 1.028 60 K HN 0.305 nan 8.250 nan 0.000 0.466 61 D N 2.025 122.486 120.400 0.103 0.000 2.382 61 D HA 0.042 4.684 4.640 0.003 0.000 0.259 61 D C -0.649 175.577 176.300 -0.125 0.000 1.224 61 D CA 0.610 54.594 54.000 -0.027 0.000 0.894 61 D CB 0.758 41.555 40.800 -0.005 0.000 1.127 61 D HN 0.314 nan 8.370 nan 0.000 0.487 62 T N 2.907 117.314 114.554 -0.246 0.000 2.807 62 T HA 0.420 4.772 4.350 0.003 0.000 0.279 62 T C 0.001 174.421 174.700 -0.467 0.000 0.993 62 T CA -0.579 61.358 62.100 -0.271 0.000 0.970 62 T CB 0.616 69.263 68.868 -0.369 0.000 0.950 62 T HN 0.044 nan 8.240 nan 0.000 0.441 63 F N 1.383 121.299 119.950 -0.056 0.000 2.432 63 F HA 0.513 5.042 4.527 0.003 0.000 0.329 63 F C 0.644 176.392 175.800 -0.087 0.000 1.076 63 F CA -1.435 56.543 58.000 -0.036 0.000 1.018 63 F CB 0.738 39.736 39.000 -0.003 0.000 1.201 63 F HN 0.264 nan 8.300 nan 0.000 0.489 64 L N 1.998 123.269 121.223 0.081 0.000 2.490 64 L HA 0.040 4.382 4.340 0.003 0.000 0.274 64 L C 0.841 177.761 176.870 0.083 0.000 1.201 64 L CA 0.414 55.256 54.840 0.002 0.000 0.869 64 L CB 0.377 42.353 42.059 -0.139 0.000 1.123 64 L HN 0.784 nan 8.230 nan 0.000 0.484 65 E N 1.540 121.793 120.200 0.088 0.000 2.201 65 E HA 0.220 4.572 4.350 0.003 0.000 0.193 65 E C 0.698 177.374 176.600 0.126 0.000 0.957 65 E CA 0.316 56.776 56.400 0.100 0.000 0.858 65 E CB 0.589 30.346 29.700 0.094 0.000 0.816 65 E HN 0.822 nan 8.360 nan 0.000 0.475 66 G N 0.293 109.196 108.800 0.171 0.000 2.506 66 G HA2 0.423 4.385 3.960 0.003 0.000 0.292 66 G HA3 0.423 4.385 3.960 0.003 0.000 0.292 66 G C -1.712 173.252 174.900 0.107 0.000 1.425 66 G CA -0.990 44.201 45.100 0.152 0.000 0.788 66 G HN -0.067 nan 8.290 nan 0.000 0.490 67 I N 1.994 122.540 120.570 -0.040 0.000 2.363 67 I HA 0.220 4.392 4.170 0.003 0.000 0.292 67 I C 0.316 176.302 176.117 -0.219 0.000 1.075 67 I CA -0.884 60.230 61.300 -0.310 0.000 1.333 67 I CB 0.980 38.827 38.000 -0.256 0.000 1.415 67 I HN 0.366 nan 8.210 nan 0.000 0.502 68 N N 4.339 122.879 118.700 -0.267 0.000 2.444 68 N HA 0.153 4.895 4.740 0.003 0.000 0.271 68 N C -0.263 175.146 175.510 -0.169 0.000 1.069 68 N CA 0.138 53.091 53.050 -0.162 0.000 0.965 68 N CB 0.957 39.364 38.487 -0.133 0.000 1.092 68 N HN 0.543 nan 8.380 nan 0.000 0.476 69 T N 1.763 116.250 114.554 -0.111 0.000 3.630 69 T HA 0.326 4.677 4.350 0.003 0.000 0.238 69 T C 0.150 174.813 174.700 -0.062 0.000 1.195 69 T CA -0.374 61.669 62.100 -0.095 0.000 1.433 69 T CB -0.287 68.529 68.868 -0.087 0.000 0.940 69 T HN 0.418 nan 8.240 nan 0.000 0.641 70 S N 1.172 116.837 115.700 -0.057 0.000 2.517 70 S HA 0.376 4.848 4.470 0.003 0.000 0.228 70 S C 0.261 174.843 174.600 -0.030 0.000 1.060 70 S CA -0.207 57.970 58.200 -0.037 0.000 0.937 70 S CB 0.130 63.311 63.200 -0.031 0.000 0.840 70 S HN 0.508 nan 8.310 nan 0.000 0.546 71 L N 3.113 124.316 121.223 -0.032 0.000 2.307 71 L HA 0.417 4.759 4.340 0.003 0.000 0.282 71 L C -2.077 174.780 176.870 -0.022 0.000 1.051 71 L CA -1.812 53.015 54.840 -0.021 0.000 0.804 71 L CB 0.874 42.924 42.059 -0.015 0.000 1.197 71 L HN -0.068 nan 8.230 nan 0.000 0.431 72 P HA -0.055 nan 4.420 nan 0.000 0.216 72 P C 0.015 177.310 177.300 -0.008 0.000 1.153 72 P CA 0.961 64.054 63.100 -0.012 0.000 0.848 72 P CB 0.050 31.746 31.700 -0.006 0.000 0.787 73 T N 1.831 116.383 114.554 -0.002 0.000 3.333 73 T HA 0.235 4.587 4.350 0.003 0.000 0.240 73 T C 0.009 174.709 174.700 0.001 0.000 0.961 73 T CA 0.626 62.729 62.100 0.005 0.000 1.215 73 T CB -1.148 67.729 68.868 0.014 0.000 1.031 73 T HN -0.087 nan 8.240 nan 0.000 0.709 74 L N 2.160 123.381 121.223 -0.004 0.000 2.949 74 L HA 0.586 4.928 4.340 0.003 0.000 0.258 74 L C -0.169 176.695 176.870 -0.010 0.000 0.941 74 L CA -0.053 54.780 54.840 -0.012 0.000 1.053 74 L CB 0.701 42.741 42.059 -0.033 0.000 1.550 74 L HN 0.520 nan 8.230 nan 0.000 0.493 75 G N 2.287 111.088 108.800 0.001 0.000 3.253 75 G HA2 0.614 4.576 3.960 0.003 0.000 0.175 75 G HA3 0.614 4.576 3.960 0.003 0.000 0.175 75 G C 0.373 175.279 174.900 0.011 0.000 1.098 75 G CA -0.150 44.953 45.100 0.005 0.000 0.790 75 G HN 1.604 nan 8.290 nan 0.000 0.648 76 A N -1.195 121.637 122.820 0.020 0.000 2.665 76 A HA 0.289 4.610 4.320 0.003 0.000 0.301 76 A C 2.040 179.640 177.584 0.026 0.000 1.509 76 A CA 1.947 54.000 52.037 0.026 0.000 0.789 76 A CB -1.695 17.324 19.000 0.032 0.000 1.024 76 A HN 2.894 nan 8.150 nan 0.000 0.460 77 G N -1.684 107.129 108.800 0.021 0.000 2.258 77 G HA2 -0.267 3.695 3.960 0.003 0.000 0.274 77 G HA3 -0.267 3.695 3.960 0.003 0.000 0.274 77 G C -0.078 174.830 174.900 0.014 0.000 1.021 77 G CA 1.065 46.180 45.100 0.024 0.000 0.798 77 G HN 1.145 nan 8.290 nan 0.000 0.507 78 E N -0.266 119.932 120.200 -0.002 0.000 2.283 78 E HA 0.650 5.002 4.350 0.003 0.000 0.267 78 E C -0.078 176.479 176.600 -0.071 0.000 1.045 78 E CA -0.289 56.098 56.400 -0.022 0.000 0.884 78 E CB 1.208 30.900 29.700 -0.013 0.000 1.106 78 E HN 0.160 nan 8.360 nan 0.000 0.408 79 S N 0.415 116.047 115.700 -0.114 0.000 2.547 79 S HA 0.606 5.078 4.470 0.003 0.000 0.281 79 S C -1.131 173.306 174.600 -0.271 0.000 1.118 79 S CA -0.816 57.245 58.200 -0.231 0.000 0.947 79 S CB 1.816 64.838 63.200 -0.298 0.000 1.053 79 S HN 0.581 nan 8.310 nan 0.000 0.482 80 A N 2.334 124.931 122.820 -0.373 0.000 2.305 80 A HA 0.864 5.185 4.320 0.003 0.000 0.322 80 A C -1.218 176.054 177.584 -0.520 0.000 1.187 80 A CA -0.377 51.485 52.037 -0.291 0.000 0.825 80 A CB 0.143 19.029 19.000 -0.191 0.000 1.164 80 A HN 0.633 nan 8.150 nan 0.000 0.498 81 F N 1.645 121.505 119.950 -0.151 0.000 2.529 81 F HA 0.354 4.883 4.527 0.003 0.000 0.320 81 F C 0.189 175.912 175.800 -0.129 0.000 1.118 81 F CA -0.737 57.181 58.000 -0.136 0.000 0.915 81 F CB 2.076 40.977 39.000 -0.165 0.000 1.161 81 F HN 0.495 nan 8.300 nan 0.000 0.445 82 N N 3.418 122.155 118.700 0.061 0.000 2.529 82 N HA 0.577 5.319 4.740 0.003 0.000 0.278 82 N C -1.014 174.468 175.510 -0.047 0.000 1.146 82 N CA -0.131 52.905 53.050 -0.023 0.000 0.980 82 N CB 1.873 40.359 38.487 -0.002 0.000 1.124 82 N HN 0.705 nan 8.380 nan 0.000 0.458 83 I N 0.495 120.948 120.570 -0.196 0.000 2.842 83 I HA 0.272 4.444 4.170 0.003 0.000 0.297 83 I C -1.592 174.239 176.117 -0.477 0.000 1.380 83 I CA -0.625 60.503 61.300 -0.287 0.000 1.018 83 I CB 1.707 39.481 38.000 -0.377 0.000 1.311 83 I HN 0.512 nan 8.210 nan 0.000 0.439 84 H N 5.646 124.532 119.070 -0.307 0.000 2.589 84 H HA 0.570 5.128 4.556 0.003 0.000 0.351 84 H C -1.486 173.684 175.328 -0.263 0.000 1.074 84 H CA -0.152 55.803 56.048 -0.156 0.000 1.203 84 H CB 1.695 31.445 29.762 -0.020 0.000 1.558 84 H HN 0.278 nan 8.280 nan 0.000 0.522 85 F N 0.652 120.697 119.950 0.158 0.000 2.458 85 F HA 0.218 4.747 4.527 0.003 0.000 0.330 85 F C 0.710 176.666 175.800 0.259 0.000 1.082 85 F CA -0.824 57.274 58.000 0.163 0.000 0.995 85 F CB 1.346 40.397 39.000 0.084 0.000 1.170 85 F HN 0.471 nan 8.300 nan 0.000 0.478 86 E N 3.728 124.194 120.200 0.442 0.000 1.963 86 E HA 0.017 4.369 4.350 0.003 0.000 0.274 86 E C -1.546 175.320 176.600 0.443 0.000 1.061 86 E CA -0.185 56.438 56.400 0.372 0.000 0.847 86 E CB 0.443 30.296 29.700 0.255 0.000 1.083 86 E HN 0.683 nan 8.360 nan 0.000 0.402 87 W N 5.780 127.193 121.300 0.190 0.000 2.521 87 W HA 0.191 4.853 4.660 0.003 0.000 0.310 87 W C -1.030 175.520 176.519 0.051 0.000 1.000 87 W CA -0.830 56.580 57.345 0.109 0.000 1.353 87 W CB 1.056 30.572 29.460 0.093 0.000 1.276 87 W HN 0.502 nan 8.180 nan 0.000 0.417 88 D N 1.656 121.947 120.400 -0.181 0.000 2.339 88 D HA 0.289 4.930 4.640 0.003 0.000 0.245 88 D C 1.777 177.914 176.300 -0.273 0.000 1.115 88 D CA 0.725 54.550 54.000 -0.292 0.000 0.917 88 D CB 1.690 42.282 40.800 -0.347 0.000 1.192 88 D HN 0.481 nan 8.370 nan 0.000 0.428 89 G N 0.874 109.548 108.800 -0.210 0.000 2.485 89 G HA2 -0.301 3.661 3.960 0.003 0.000 0.221 89 G HA3 -0.301 3.661 3.960 0.003 0.000 0.221 89 G C 1.411 176.242 174.900 -0.115 0.000 1.115 89 G CA 1.283 46.332 45.100 -0.085 0.000 0.751 89 G HN 0.552 nan 8.290 nan 0.000 0.567 90 S N -0.087 115.502 115.700 -0.186 0.000 2.447 90 S HA 0.045 4.517 4.470 0.003 0.000 0.233 90 S C 2.074 176.547 174.600 -0.212 0.000 1.006 90 S CA 0.878 58.978 58.200 -0.166 0.000 0.957 90 S CB -0.161 62.941 63.200 -0.163 0.000 0.773 90 S HN 0.162 nan 8.310 nan 0.000 0.507 91 M N 1.699 121.067 119.600 -0.387 0.000 2.659 91 M HA 0.231 4.713 4.480 0.003 0.000 0.243 91 M C 1.560 177.752 176.300 -0.181 0.000 1.111 91 M CA 0.716 55.665 55.300 -0.584 0.000 1.070 91 M CB -1.626 30.007 32.600 -1.611 0.000 1.525 91 M HN 0.635 nan 8.290 nan 0.000 0.517 92 G N 1.254 110.059 108.800 0.008 0.000 2.584 92 G HA2 -0.238 3.724 3.960 0.003 0.000 0.229 92 G HA3 -0.238 3.724 3.960 0.003 0.000 0.229 92 G C -0.365 174.769 174.900 0.391 0.000 1.320 92 G CA -0.703 44.500 45.100 0.172 0.000 0.891 92 G HN 0.371 nan 8.290 nan 0.000 0.573 93 I N 2.888 123.637 120.570 0.300 0.000 2.354 93 I HA 0.376 4.548 4.170 0.003 0.000 0.292 93 I C -1.884 174.350 176.117 0.196 0.000 0.989 93 I CA -2.108 59.333 61.300 0.235 0.000 1.188 93 I CB 2.246 40.322 38.000 0.125 0.000 1.342 93 I HN 0.301 nan 8.210 nan 0.000 0.457 94 P HA 0.107 nan 4.420 nan 0.000 0.276 94 P C 0.338 177.677 177.300 0.064 0.000 1.235 94 P CA -0.007 63.011 63.100 -0.137 0.000 0.772 94 P CB 1.207 32.555 31.700 -0.587 0.000 0.871 95 G N 1.289 110.171 108.800 0.138 0.000 3.342 95 G HA2 0.530 4.492 3.960 0.003 0.000 0.252 95 G HA3 0.530 4.492 3.960 0.003 0.000 0.252 95 G C 0.029 175.107 174.900 0.298 0.000 1.011 95 G CA 0.283 45.516 45.100 0.222 0.000 0.869 95 G HN 0.823 nan 8.290 nan 0.000 0.514 96 A N -0.243 122.716 122.820 0.231 0.000 2.540 96 A HA 0.822 5.144 4.320 0.003 0.000 0.291 96 A C -1.818 175.684 177.584 -0.136 0.000 1.083 96 A CA -0.707 51.337 52.037 0.012 0.000 0.650 96 A CB 0.834 19.512 19.000 -0.537 0.000 1.292 96 A HN 1.242 nan 8.150 nan 0.000 0.435 97 F N -2.019 117.627 119.950 -0.507 0.000 2.678 97 F HA 0.793 5.322 4.527 0.003 0.000 0.308 97 F C -2.007 173.554 175.800 -0.400 0.000 1.118 97 F CA -1.075 56.630 58.000 -0.491 0.000 0.959 97 F CB 0.636 39.315 39.000 -0.535 0.000 1.305 97 F HN 0.551 nan 8.300 nan 0.000 0.443 98 Y N 3.159 123.437 120.300 -0.036 0.000 2.376 98 Y HA 0.752 5.304 4.550 0.003 0.000 0.325 98 Y C -0.235 175.751 175.900 0.143 0.000 1.199 98 Y CA -1.462 56.584 58.100 -0.090 0.000 1.206 98 Y CB 1.814 40.228 38.460 -0.077 0.000 1.229 98 Y HN 0.824 nan 8.280 nan 0.000 0.480 99 I N 2.336 123.075 120.570 0.282 0.000 2.644 99 I HA 0.398 4.569 4.170 0.003 0.000 0.291 99 I C -1.689 174.504 176.117 0.126 0.000 1.180 99 I CA -0.693 60.772 61.300 0.274 0.000 1.040 99 I CB 1.462 39.721 38.000 0.432 0.000 1.255 99 I HN 0.532 nan 8.210 nan 0.000 0.422 100 K N 4.944 125.370 120.400 0.042 0.000 2.426 100 K HA 0.345 4.667 4.320 0.003 0.000 0.254 100 K C -1.072 175.438 176.600 -0.149 0.000 0.936 100 K CA -0.827 55.379 56.287 -0.135 0.000 0.801 100 K CB 1.620 33.914 32.500 -0.343 0.000 1.139 100 K HN 0.422 nan 8.250 nan 0.000 0.424 101 N N 2.678 121.319 118.700 -0.097 0.000 2.457 101 N HA 0.113 4.855 4.740 0.003 0.000 0.250 101 N C -0.466 175.003 175.510 -0.069 0.000 0.982 101 N CA -0.110 52.974 53.050 0.056 0.000 0.941 101 N CB 0.444 38.948 38.487 0.027 0.000 1.120 101 N HN 0.475 nan 8.380 nan 0.000 0.505 102 Y N 1.908 122.318 120.300 0.184 0.000 2.511 102 Y HA 0.267 4.819 4.550 0.003 0.000 0.279 102 Y C 0.874 176.821 175.900 0.078 0.000 1.157 102 Y CA 0.112 58.287 58.100 0.125 0.000 1.300 102 Y CB 0.026 38.574 38.460 0.146 0.000 1.052 102 Y HN 0.396 nan 8.280 nan 0.000 0.529 103 M N 0.009 119.732 119.600 0.205 0.000 2.202 103 M HA 0.022 4.504 4.480 0.003 0.000 0.316 103 M C 1.343 177.681 176.300 0.063 0.000 1.138 103 M CA -0.117 55.246 55.300 0.106 0.000 1.151 103 M CB 0.682 33.329 32.600 0.079 0.000 1.422 103 M HN 0.031 nan 8.290 nan 0.000 0.471 104 Q N 0.614 120.430 119.800 0.027 0.000 2.049 104 Q HA 0.058 4.400 4.340 0.003 0.000 0.198 104 Q C 0.230 176.225 176.000 -0.008 0.000 0.971 104 Q CA 0.979 56.786 55.803 0.007 0.000 0.833 104 Q CB -0.267 28.472 28.738 0.001 0.000 0.896 104 Q HN 0.564 nan 8.270 nan 0.000 0.434 105 V N 3.366 123.282 119.914 0.002 0.000 2.686 105 V HA 0.050 4.172 4.120 0.003 0.000 0.295 105 V C 0.561 176.658 176.094 0.006 0.000 1.057 105 V CA -0.717 61.580 62.300 -0.005 0.000 1.012 105 V CB 1.339 33.183 31.823 0.034 0.000 1.006 105 V HN 0.275 nan 8.190 nan 0.000 0.477 106 E N 4.142 124.261 120.200 -0.135 0.000 2.374 106 E HA 0.345 4.697 4.350 0.003 0.000 0.260 106 E C -0.995 175.739 176.600 0.225 0.000 1.101 106 E CA -0.256 56.018 56.400 -0.211 0.000 0.907 106 E CB 1.436 30.623 29.700 -0.854 0.000 1.014 106 E HN 0.490 nan 8.360 nan 0.000 0.427 107 F N -0.774 119.383 119.950 0.345 0.000 2.620 107 F HA 0.638 5.167 4.527 0.003 0.000 0.320 107 F C -1.318 174.608 175.800 0.211 0.000 1.069 107 F CA -2.116 56.104 58.000 0.367 0.000 0.953 107 F CB 0.909 40.095 39.000 0.309 0.000 1.322 107 F HN 0.288 nan 8.300 nan 0.000 0.479 108 F N 3.582 123.499 119.950 -0.055 0.000 2.334 108 F HA 0.558 5.087 4.527 0.003 0.000 0.367 108 F C -0.773 174.968 175.800 -0.098 0.000 1.115 108 F CA -1.277 56.380 58.000 -0.572 0.000 1.116 108 F CB 0.947 39.212 39.000 -1.224 0.000 1.230 108 F HN 0.588 nan 8.300 nan 0.000 0.484 109 L N 7.795 128.761 121.223 -0.428 0.000 2.369 109 L HA 0.273 4.615 4.340 0.003 0.000 0.279 109 L C 0.797 177.285 176.870 -0.636 0.000 1.108 109 L CA 0.278 54.922 54.840 -0.328 0.000 0.852 109 L CB 0.413 42.344 42.059 -0.212 0.000 1.169 109 L HN 0.571 nan 8.230 nan 0.000 0.452 110 K N 2.454 122.631 120.400 -0.371 0.000 2.063 110 K HA 0.240 4.562 4.320 0.003 0.000 0.204 110 K C 0.394 176.890 176.600 -0.173 0.000 1.039 110 K CA 1.090 57.219 56.287 -0.262 0.000 0.957 110 K CB -0.104 32.344 32.500 -0.087 0.000 0.764 110 K HN 0.809 nan 8.250 nan 0.000 0.447 111 S N -0.696 114.930 115.700 -0.124 0.000 2.636 111 S HA 0.541 5.013 4.470 0.003 0.000 0.268 111 S C -1.710 172.842 174.600 -0.079 0.000 1.159 111 S CA -1.105 57.062 58.200 -0.054 0.000 0.815 111 S CB 1.218 64.423 63.200 0.009 0.000 1.130 111 S HN 0.033 nan 8.310 nan 0.000 0.471 112 L N 0.701 121.902 121.223 -0.035 0.000 2.408 112 L HA 0.844 5.186 4.340 0.003 0.000 0.268 112 L C -1.185 175.706 176.870 0.035 0.000 0.986 112 L CA 0.171 54.908 54.840 -0.171 0.000 0.820 112 L CB 2.090 43.752 42.059 -0.662 0.000 1.303 112 L HN 0.955 nan 8.230 nan 0.000 0.411 113 T N 6.171 120.710 114.554 -0.026 0.000 2.864 113 T HA 0.512 4.864 4.350 0.003 0.000 0.299 113 T C -0.514 174.176 174.700 -0.017 0.000 1.011 113 T CA -0.249 61.854 62.100 0.006 0.000 0.975 113 T CB 0.707 69.551 68.868 -0.039 0.000 0.962 113 T HN 0.445 nan 8.240 nan 0.000 0.448 114 L N 3.642 124.873 121.223 0.014 0.000 2.259 114 L HA 0.378 4.720 4.340 0.003 0.000 0.288 114 L C 0.611 177.468 176.870 -0.022 0.000 1.051 114 L CA -0.491 54.336 54.840 -0.023 0.000 0.824 114 L CB 0.657 42.687 42.059 -0.047 0.000 1.206 114 L HN 0.674 nan 8.230 nan 0.000 0.429 115 E N 2.970 123.161 120.200 -0.015 0.000 2.392 115 E HA 0.154 4.505 4.350 0.003 0.000 0.307 115 E C 0.466 177.075 176.600 0.015 0.000 1.505 115 E CA -0.304 56.092 56.400 -0.007 0.000 1.716 115 E CB 0.428 30.126 29.700 -0.003 0.000 1.450 115 E HN 0.629 nan 8.360 nan 0.000 0.484 116 A N 2.293 125.118 122.820 0.008 0.000 2.899 116 A HA 0.058 4.379 4.320 0.003 0.000 0.287 116 A C 0.456 178.057 177.584 0.029 0.000 1.715 116 A CA -0.247 51.806 52.037 0.028 0.000 1.393 116 A CB -0.750 18.258 19.000 0.012 0.000 1.070 116 A HN 0.655 nan 8.150 nan 0.000 0.587 117 I N 2.345 122.936 120.570 0.036 0.000 2.725 117 I HA 0.046 4.218 4.170 0.003 0.000 0.296 117 I C 0.359 176.494 176.117 0.030 0.000 1.155 117 I CA 0.631 61.948 61.300 0.029 0.000 1.450 117 I CB -0.338 37.681 38.000 0.031 0.000 1.478 117 I HN 0.612 nan 8.210 nan 0.000 0.642 118 S N 4.535 120.250 115.700 0.026 0.000 5.911 118 S HA 0.019 4.491 4.470 0.003 0.000 0.134 118 S C 0.748 175.360 174.600 0.021 0.000 1.400 118 S CA -0.270 57.946 58.200 0.027 0.000 1.004 118 S CB -0.358 62.867 63.200 0.042 0.000 1.903 118 S HN 0.746 nan 8.310 nan 0.000 0.620 119 N N 1.181 119.896 118.700 0.025 0.000 2.019 119 N HA -0.088 4.654 4.740 0.003 0.000 0.182 119 N C 1.231 176.747 175.510 0.010 0.000 1.142 119 N CA 1.275 54.336 53.050 0.018 0.000 0.960 119 N CB -0.443 38.059 38.487 0.025 0.000 1.003 119 N HN 0.398 nan 8.380 nan 0.000 0.417 120 Q N -0.366 119.439 119.800 0.009 0.000 2.561 120 Q HA -0.014 4.328 4.340 0.003 0.000 0.217 120 Q C 0.936 176.933 176.000 -0.005 0.000 0.980 120 Q CA 1.023 56.828 55.803 0.003 0.000 0.927 120 Q CB -0.533 28.213 28.738 0.012 0.000 0.980 120 Q HN 0.778 nan 8.270 nan 0.000 0.525 121 G N -0.807 107.992 108.800 -0.001 0.000 2.990 121 G HA2 -0.303 3.659 3.960 0.003 0.000 0.225 121 G HA3 -0.303 3.659 3.960 0.003 0.000 0.225 121 G C 0.326 175.216 174.900 -0.017 0.000 1.304 121 G CA 0.556 45.653 45.100 -0.005 0.000 0.816 121 G HN 0.409 nan 8.290 nan 0.000 0.528 122 T N 1.025 115.557 114.554 -0.036 0.000 2.921 122 T HA 0.649 5.001 4.350 0.003 0.000 0.297 122 T C -0.430 174.213 174.700 -0.095 0.000 1.013 122 T CA -0.384 61.678 62.100 -0.063 0.000 0.990 122 T CB 2.072 70.889 68.868 -0.086 0.000 1.023 122 T HN 0.486 nan 8.240 nan 0.000 0.447 123 I N 3.227 123.735 120.570 -0.104 0.000 2.378 123 I HA 0.492 4.664 4.170 0.003 0.000 0.291 123 I C 0.191 176.163 176.117 -0.241 0.000 0.992 123 I CA -0.810 60.373 61.300 -0.195 0.000 1.154 123 I CB 1.501 39.414 38.000 -0.144 0.000 1.315 123 I HN 0.314 nan 8.210 nan 0.000 0.448 124 R N 5.519 125.770 120.500 -0.414 0.000 2.589 124 R HA 0.677 5.018 4.340 0.003 0.000 0.293 124 R C -1.597 174.430 176.300 -0.455 0.000 0.963 124 R CA -0.663 55.254 56.100 -0.306 0.000 0.905 124 R CB 1.973 32.087 30.300 -0.309 0.000 1.144 124 R HN 0.331 nan 8.270 nan 0.000 0.459 125 F N 1.673 121.582 119.950 -0.067 0.000 2.539 125 F HA 0.250 4.779 4.527 0.003 0.000 0.328 125 F C -0.046 175.768 175.800 0.023 0.000 1.148 125 F CA -1.154 56.861 58.000 0.025 0.000 0.940 125 F CB 1.920 41.018 39.000 0.165 0.000 1.194 125 F HN 0.157 nan 8.300 nan 0.000 0.438 126 V N 0.075 120.100 119.914 0.185 0.000 2.318 126 V HA 0.348 4.470 4.120 0.003 0.000 0.271 126 V C -0.149 176.026 176.094 0.135 0.000 1.030 126 V CA -0.512 61.871 62.300 0.137 0.000 0.844 126 V CB 0.216 32.128 31.823 0.148 0.000 1.015 126 V HN 0.994 nan 8.190 nan 0.000 0.460 127 C N 2.831 122.139 119.300 0.014 0.000 2.587 127 C HA 0.239 4.700 4.460 0.003 0.000 0.287 127 C C 1.210 176.153 174.990 -0.080 0.000 1.374 127 C CA 0.103 59.061 59.018 -0.101 0.000 1.770 127 C CB -1.030 26.350 27.740 -0.600 0.000 2.137 127 C HN 0.998 nan 8.230 nan 0.000 0.550 128 N N 1.732 120.276 118.700 -0.261 0.000 2.669 128 N HA -0.160 4.582 4.740 0.003 0.000 0.266 128 N C -0.489 174.832 175.510 -0.316 0.000 1.024 128 N CA 1.263 54.106 53.050 -0.344 0.000 0.766 128 N CB -0.740 37.813 38.487 0.112 0.000 0.898 128 N HN 0.656 nan 8.380 nan 0.000 0.548 129 S N -0.525 114.750 115.700 -0.708 0.000 2.533 129 S HA 0.516 4.988 4.470 0.003 0.000 0.271 129 S C -1.069 173.465 174.600 -0.109 0.000 1.143 129 S CA -0.810 57.337 58.200 -0.088 0.000 0.891 129 S CB 0.732 64.119 63.200 0.311 0.000 1.105 129 S HN 0.307 nan 8.310 nan 0.000 0.468 130 W N 2.957 124.469 121.300 0.353 0.000 2.266 130 W HA 0.476 5.137 4.660 0.003 0.000 0.317 130 W C -0.259 176.418 176.519 0.265 0.000 1.310 130 W CA -0.391 57.165 57.345 0.352 0.000 1.207 130 W CB 0.871 30.614 29.460 0.473 0.000 1.199 130 W HN 0.361 nan 8.180 nan 0.000 0.544 131 V N 5.919 125.945 119.914 0.186 0.000 2.293 131 V HA 0.181 4.302 4.120 0.003 0.000 0.275 131 V C -0.314 175.755 176.094 -0.040 0.000 1.021 131 V CA -1.180 61.154 62.300 0.057 0.000 0.815 131 V CB -0.523 31.098 31.823 -0.338 0.000 1.025 131 V HN 0.322 nan 8.190 nan 0.000 0.448 132 Y N 2.277 122.653 120.300 0.127 0.000 2.281 132 Y HA 0.183 4.735 4.550 0.003 0.000 0.337 132 Y C 1.302 177.080 175.900 -0.203 0.000 1.304 132 Y CA -0.463 57.558 58.100 -0.131 0.000 1.465 132 Y CB 0.416 38.661 38.460 -0.358 0.000 1.350 132 Y HN 0.605 nan 8.280 nan 0.000 0.575 133 N N 0.520 119.160 118.700 -0.099 0.000 2.356 133 N HA -0.154 4.588 4.740 0.003 0.000 0.252 133 N C 1.176 176.594 175.510 -0.154 0.000 1.241 133 N CA 0.794 53.784 53.050 -0.100 0.000 0.861 133 N CB 1.002 39.440 38.487 -0.082 0.000 1.075 133 N HN 0.867 nan 8.380 nan 0.000 0.461 134 T N 3.326 117.829 114.554 -0.085 0.000 2.760 134 T HA -0.142 4.209 4.350 0.003 0.000 0.269 134 T C 1.488 176.157 174.700 -0.051 0.000 1.047 134 T CA 1.512 63.587 62.100 -0.042 0.000 1.139 134 T CB 0.014 68.771 68.868 -0.185 0.000 0.855 134 T HN 0.579 nan 8.240 nan 0.000 0.471 135 K N 0.157 120.507 120.400 -0.084 0.000 2.283 135 K HA 0.094 4.416 4.320 0.003 0.000 0.202 135 K C 2.019 178.520 176.600 -0.166 0.000 1.048 135 K CA 0.743 56.981 56.287 -0.082 0.000 0.948 135 K CB -0.121 32.345 32.500 -0.057 0.000 0.742 135 K HN 0.405 nan 8.250 nan 0.000 0.458 136 L N 0.077 121.094 121.223 -0.344 0.000 2.395 136 L HA -0.035 4.307 4.340 0.003 0.000 0.218 136 L C 0.174 176.768 176.870 -0.460 0.000 1.130 136 L CA 0.288 54.765 54.840 -0.605 0.000 0.826 136 L CB -0.056 41.330 42.059 -1.122 0.000 0.941 136 L HN 0.047 nan 8.230 nan 0.000 0.451 137 Y N -0.342 119.874 120.300 -0.140 0.000 2.323 137 Y HA 0.135 4.687 4.550 0.003 0.000 0.331 137 Y C 1.207 177.082 175.900 -0.043 0.000 1.092 137 Y CA -0.931 57.130 58.100 -0.065 0.000 1.150 137 Y CB 1.073 39.502 38.460 -0.051 0.000 1.200 137 Y HN -0.175 nan 8.280 nan 0.000 0.472 138 K N 1.132 121.631 120.400 0.165 0.000 2.217 138 K HA 0.003 4.325 4.320 0.003 0.000 0.202 138 K C -0.176 176.452 176.600 0.047 0.000 1.051 138 K CA 0.980 57.314 56.287 0.078 0.000 0.952 138 K CB 0.219 32.758 32.500 0.065 0.000 0.736 138 K HN 0.702 nan 8.250 nan 0.000 0.453 139 S N -0.768 114.955 115.700 0.038 0.000 2.564 139 S HA 0.369 4.841 4.470 0.003 0.000 0.274 139 S C -0.476 174.069 174.600 -0.091 0.000 1.124 139 S CA -1.185 57.000 58.200 -0.026 0.000 0.869 139 S CB 1.916 65.104 63.200 -0.019 0.000 1.105 139 S HN -0.114 nan 8.310 nan 0.000 0.472 140 V N 3.069 122.899 119.914 -0.140 0.000 2.673 140 V HA 0.241 4.363 4.120 0.003 0.000 0.303 140 V C 0.746 176.732 176.094 -0.181 0.000 1.046 140 V CA -0.387 61.805 62.300 -0.180 0.000 1.126 140 V CB -0.252 31.376 31.823 -0.325 0.000 0.934 140 V HN 0.778 nan 8.190 nan 0.000 0.487 141 R N 3.856 124.185 120.500 -0.285 0.000 2.484 141 R HA 0.315 4.657 4.340 0.003 0.000 0.293 141 R C -0.331 175.746 176.300 -0.372 0.000 1.023 141 R CA 0.125 55.977 56.100 -0.413 0.000 1.037 141 R CB -0.111 29.997 30.300 -0.320 0.000 0.951 141 R HN 0.747 nan 8.270 nan 0.000 0.418 142 I N 3.453 123.630 120.570 -0.654 0.000 2.474 142 I HA 0.462 4.634 4.170 0.003 0.000 0.294 142 I C -1.220 174.178 176.117 -1.198 0.000 1.005 142 I CA -0.883 59.939 61.300 -0.796 0.000 1.113 142 I CB 0.992 38.579 38.000 -0.689 0.000 1.289 142 I HN 0.315 nan 8.210 nan 0.000 0.436 143 F N 6.078 125.464 119.950 -0.940 0.000 2.563 143 F HA 0.539 5.068 4.527 0.003 0.000 0.316 143 F C -0.673 174.780 175.800 -0.578 0.000 1.076 143 F CA -0.474 57.117 58.000 -0.683 0.000 0.921 143 F CB 1.746 40.251 39.000 -0.824 0.000 1.209 143 F HN 0.192 nan 8.300 nan 0.000 0.462 144 F N 1.032 121.050 119.950 0.114 0.000 2.497 144 F HA 0.746 5.275 4.527 0.003 0.000 0.331 144 F C 0.564 176.505 175.800 0.234 0.000 1.060 144 F CA -1.026 57.075 58.000 0.169 0.000 0.989 144 F CB 0.996 40.026 39.000 0.050 0.000 1.245 144 F HN 0.549 nan 8.300 nan 0.000 0.486 145 A N 1.005 123.905 122.820 0.133 0.000 2.346 145 A HA 0.188 4.510 4.320 0.003 0.000 0.252 145 A C 0.739 178.103 177.584 -0.368 0.000 1.089 145 A CA -0.459 51.185 52.037 -0.654 0.000 0.797 145 A CB -0.068 18.418 19.000 -0.857 0.000 1.047 145 A HN 0.824 nan 8.150 nan 0.000 0.494 146 N N 0.910 119.300 118.700 -0.516 0.000 2.523 146 N HA -0.066 4.676 4.740 0.003 0.000 0.208 146 N C -0.177 175.096 175.510 -0.394 0.000 1.313 146 N CA 0.305 53.151 53.050 -0.339 0.000 0.853 146 N CB -0.605 37.729 38.487 -0.255 0.000 1.090 146 N HN 0.569 nan 8.380 nan 0.000 0.463 147 H N -0.213 118.706 119.070 -0.251 0.000 2.511 147 H HA 0.296 4.854 4.556 0.003 0.000 0.346 147 H C -0.017 174.941 175.328 -0.616 0.000 1.128 147 H CA -0.101 55.683 56.048 -0.440 0.000 1.342 147 H CB 1.059 30.520 29.762 -0.502 0.000 1.470 147 H HN 0.018 nan 8.280 nan 0.000 0.546 148 T N 3.644 117.874 114.554 -0.540 0.000 2.794 148 T HA 0.467 4.819 4.350 0.003 0.000 0.280 148 T C -0.810 173.503 174.700 -0.645 0.000 0.987 148 T CA -0.505 61.309 62.100 -0.476 0.000 0.993 148 T CB 0.232 68.946 68.868 -0.256 0.000 0.939 148 T HN 0.341 nan 8.240 nan 0.000 0.449 149 Y N 0.669 120.875 120.300 -0.156 0.000 2.479 149 Y HA 0.462 5.014 4.550 0.003 0.000 0.338 149 Y C 0.086 175.803 175.900 -0.305 0.000 1.055 149 Y CA -1.579 56.417 58.100 -0.174 0.000 1.023 149 Y CB 0.891 39.274 38.460 -0.128 0.000 1.287 149 Y HN 0.563 nan 8.280 nan 0.000 0.447 150 V N 0.391 120.207 119.914 -0.164 0.000 3.133 150 V HA 0.359 4.481 4.120 0.003 0.000 0.305 150 V C -2.160 173.864 176.094 -0.116 0.000 1.084 150 V CA -1.710 60.396 62.300 -0.323 0.000 1.089 150 V CB 1.080 32.702 31.823 -0.334 0.000 1.073 150 V HN 0.573 nan 8.190 nan 0.000 0.477 151 P HA -0.189 nan 4.420 nan 0.000 0.216 151 P C 2.009 179.296 177.300 -0.022 0.000 1.157 151 P CA 2.513 65.617 63.100 0.007 0.000 0.880 151 P CB -0.085 31.661 31.700 0.077 0.000 0.791 152 S N -1.407 114.279 115.700 -0.022 0.000 2.469 152 S HA -0.116 4.356 4.470 0.003 0.000 0.238 152 S C 1.517 176.078 174.600 -0.065 0.000 0.998 152 S CA 0.996 59.176 58.200 -0.034 0.000 0.957 152 S CB -0.782 62.405 63.200 -0.021 0.000 0.764 152 S HN 0.114 nan 8.310 nan 0.000 0.514 153 E N 1.336 121.489 120.200 -0.078 0.000 2.481 153 E HA 0.150 4.502 4.350 0.003 0.000 0.198 153 E C -0.172 176.249 176.600 -0.299 0.000 1.027 153 E CA 0.098 56.434 56.400 -0.108 0.000 0.900 153 E CB 0.234 29.936 29.700 0.003 0.000 0.993 153 E HN 0.481 nan 8.360 nan 0.000 0.482 154 T N 3.728 118.117 114.554 -0.275 0.000 2.867 154 T HA 0.135 4.486 4.350 0.003 0.000 0.297 154 T C -2.347 172.123 174.700 -0.383 0.000 0.989 154 T CA -0.941 60.903 62.100 -0.427 0.000 1.159 154 T CB 0.603 69.359 68.868 -0.187 0.000 0.928 154 T HN -0.097 nan 8.240 nan 0.000 0.538 155 P HA 0.120 nan 4.420 nan 0.000 0.265 155 P C 0.651 177.873 177.300 -0.129 0.000 1.193 155 P CA -0.107 62.838 63.100 -0.257 0.000 0.765 155 P CB 0.376 31.953 31.700 -0.205 0.000 0.823 156 A N 6.496 129.262 122.820 -0.090 0.000 1.927 156 A HA -0.174 4.148 4.320 0.003 0.000 0.220 156 A C -0.411 177.152 177.584 -0.035 0.000 1.185 156 A CA 1.983 53.986 52.037 -0.056 0.000 0.639 156 A CB -2.390 16.584 19.000 -0.044 0.000 0.820 156 A HN 0.508 nan 8.150 nan 0.000 0.451 157 P HA -0.053 nan 4.420 nan 0.000 0.222 157 P C 1.027 178.358 177.300 0.053 0.000 1.147 157 P CA 0.758 63.874 63.100 0.028 0.000 0.790 157 P CB -0.023 31.730 31.700 0.088 0.000 0.780 158 L N -2.253 119.033 121.223 0.105 0.000 2.585 158 L HA 0.034 4.376 4.340 0.003 0.000 0.226 158 L C 2.015 178.971 176.870 0.142 0.000 1.113 158 L CA 0.079 55.072 54.840 0.256 0.000 0.876 158 L CB -0.408 41.834 42.059 0.306 0.000 1.072 158 L HN -0.175 nan 8.230 nan 0.000 0.468 159 V N -0.459 119.460 119.914 0.009 0.000 2.282 159 V HA -0.343 3.779 4.120 0.003 0.000 0.249 159 V C 2.658 178.745 176.094 -0.012 0.000 1.057 159 V CA 2.335 64.626 62.300 -0.014 0.000 1.032 159 V CB -0.319 31.481 31.823 -0.039 0.000 0.645 159 V HN 0.439 nan 8.190 nan 0.000 0.447 160 S N -1.714 113.931 115.700 -0.092 0.000 2.368 160 S HA -0.166 4.306 4.470 0.003 0.000 0.224 160 S C 1.939 176.537 174.600 -0.003 0.000 1.029 160 S CA 1.384 59.521 58.200 -0.105 0.000 0.988 160 S CB -0.338 62.729 63.200 -0.222 0.000 0.838 160 S HN 0.612 nan 8.310 nan 0.000 0.462 161 Y N 1.808 122.165 120.300 0.096 0.000 2.165 161 Y HA -0.053 4.498 4.550 0.003 0.000 0.286 161 Y C 2.556 178.584 175.900 0.213 0.000 1.155 161 Y CA 1.313 59.495 58.100 0.137 0.000 1.164 161 Y CB -0.831 37.712 38.460 0.138 0.000 0.978 161 Y HN 0.230 nan 8.280 nan 0.000 0.513 162 R N 0.367 121.072 120.500 0.343 0.000 2.080 162 R HA -0.241 4.101 4.340 0.003 0.000 0.236 162 R C 2.186 178.534 176.300 0.080 0.000 1.137 162 R CA 2.020 58.196 56.100 0.127 0.000 0.943 162 R CB -0.216 30.070 30.300 -0.024 0.000 0.846 162 R HN 0.234 nan 8.270 nan 0.000 0.431 163 E N 0.520 120.762 120.200 0.070 0.000 2.106 163 E HA -0.164 4.188 4.350 0.003 0.000 0.192 163 E C 1.706 178.337 176.600 0.052 0.000 0.984 163 E CA 1.481 57.908 56.400 0.045 0.000 0.806 163 E CB 0.004 29.721 29.700 0.028 0.000 0.750 163 E HN 0.315 nan 8.360 nan 0.000 0.458 164 E N 0.382 120.632 120.200 0.083 0.000 2.110 164 E HA -0.199 4.153 4.350 0.003 0.000 0.193 164 E C 1.969 178.613 176.600 0.073 0.000 0.988 164 E CA 1.303 57.751 56.400 0.079 0.000 0.804 164 E CB -0.279 29.492 29.700 0.118 0.000 0.745 164 E HN 0.319 nan 8.360 nan 0.000 0.458 165 E N 1.088 121.348 120.200 0.100 0.000 2.110 165 E HA -0.094 4.258 4.350 0.003 0.000 0.193 165 E C 2.126 178.749 176.600 0.038 0.000 0.988 165 E CA 0.672 57.116 56.400 0.073 0.000 0.804 165 E CB -0.274 29.506 29.700 0.134 0.000 0.745 165 E HN 0.203 nan 8.360 nan 0.000 0.458 166 L N 0.033 121.270 121.223 0.024 0.000 2.093 166 L HA -0.115 4.227 4.340 0.003 0.000 0.208 166 L C 2.467 179.325 176.870 -0.019 0.000 1.085 166 L CA 1.251 56.085 54.840 -0.011 0.000 0.755 166 L CB -0.298 41.747 42.059 -0.024 0.000 0.904 166 L HN 0.097 nan 8.230 nan 0.000 0.435 167 K N -0.710 119.688 120.400 -0.002 0.000 2.097 167 K HA -0.165 4.157 4.320 0.003 0.000 0.206 167 K C 2.399 179.005 176.600 0.010 0.000 1.049 167 K CA 1.472 57.757 56.287 -0.003 0.000 0.933 167 K CB -0.141 32.363 32.500 0.007 0.000 0.717 167 K HN 0.109 nan 8.250 nan 0.000 0.442 168 S N 1.145 116.859 115.700 0.023 0.000 2.368 168 S HA -0.079 4.393 4.470 0.003 0.000 0.225 168 S C 1.889 176.520 174.600 0.052 0.000 1.030 168 S CA 0.944 59.162 58.200 0.031 0.000 0.999 168 S CB -0.155 63.059 63.200 0.023 0.000 0.844 168 S HN 0.199 nan 8.310 nan 0.000 0.459 169 L N 0.661 121.924 121.223 0.067 0.000 2.191 169 L HA -0.005 4.336 4.340 0.003 0.000 0.212 169 L C 2.798 179.748 176.870 0.134 0.000 1.103 169 L CA 1.062 55.986 54.840 0.140 0.000 0.769 169 L CB -0.320 41.816 42.059 0.129 0.000 0.908 169 L HN 0.258 nan 8.230 nan 0.000 0.438 170 R N -0.314 120.212 120.500 0.043 0.000 2.161 170 R HA 0.103 4.445 4.340 0.003 0.000 0.213 170 R C 1.224 177.535 176.300 0.018 0.000 1.055 170 R CA 0.498 56.606 56.100 0.013 0.000 0.996 170 R CB -0.122 30.151 30.300 -0.044 0.000 0.901 170 R HN 0.427 nan 8.270 nan 0.000 0.456 171 G N 1.675 110.485 108.800 0.018 0.000 2.601 171 G HA2 -0.360 3.601 3.960 0.003 0.000 0.252 171 G HA3 -0.360 3.601 3.960 0.003 0.000 0.252 171 G C -0.042 174.857 174.900 -0.002 0.000 1.294 171 G CA 0.292 45.394 45.100 0.003 0.000 0.912 171 G HN 0.522 nan 8.290 nan 0.000 0.574 172 N N -0.110 118.583 118.700 -0.011 0.000 2.197 172 N HA 0.470 5.212 4.740 0.003 0.000 0.228 172 N C 1.495 177.000 175.510 -0.009 0.000 1.212 172 N CA 1.191 54.237 53.050 -0.007 0.000 0.883 172 N CB 0.629 39.111 38.487 -0.009 0.000 1.107 172 N HN 2.444 nan 8.380 nan 0.000 0.519 173 G N -0.326 108.463 108.800 -0.017 0.000 2.143 173 G HA2 -0.267 3.695 3.960 0.003 0.000 0.249 173 G HA3 -0.267 3.695 3.960 0.003 0.000 0.249 173 G C 0.061 174.938 174.900 -0.038 0.000 0.981 173 G CA 0.765 45.853 45.100 -0.019 0.000 0.665 173 G HN 0.960 nan 8.290 nan 0.000 0.528 174 T N -2.875 111.647 114.554 -0.052 0.000 2.887 174 T HA 0.928 5.280 4.350 0.003 0.000 0.292 174 T C 0.493 175.138 174.700 -0.091 0.000 1.087 174 T CA 0.344 62.405 62.100 -0.064 0.000 1.009 174 T CB 2.218 71.057 68.868 -0.048 0.000 1.203 174 T HN 2.361 nan 8.240 nan 0.000 0.518 175 G N 0.339 109.079 108.800 -0.100 0.000 2.721 175 G HA2 -0.000 3.962 3.960 0.003 0.000 0.686 175 G HA3 -0.000 3.962 3.960 0.003 0.000 0.686 175 G C -0.661 174.133 174.900 -0.177 0.000 1.236 175 G CA -0.422 44.603 45.100 -0.125 0.000 0.786 175 G HN 1.058 nan 8.290 nan 0.000 0.616 176 E N 1.037 121.127 120.200 -0.184 0.000 2.290 176 E HA 0.267 4.619 4.350 0.003 0.000 0.277 176 E C 0.692 177.090 176.600 -0.336 0.000 1.035 176 E CA -0.727 55.533 56.400 -0.234 0.000 0.873 176 E CB 0.373 29.960 29.700 -0.188 0.000 1.029 176 E HN 0.399 nan 8.360 nan 0.000 0.419 177 R N 3.624 123.827 120.500 -0.495 0.000 2.491 177 R HA 0.196 4.538 4.340 0.003 0.000 0.283 177 R C -0.066 175.807 176.300 -0.712 0.000 1.072 177 R CA -0.184 55.410 56.100 -0.844 0.000 1.048 177 R CB 0.540 29.848 30.300 -1.654 0.000 0.983 177 R HN 0.369 nan 8.270 nan 0.000 0.450 178 K N 1.825 121.816 120.400 -0.681 0.000 2.166 178 K HA 0.105 4.427 4.320 0.003 0.000 0.245 178 K C 1.041 177.339 176.600 -0.503 0.000 0.967 178 K CA -0.639 55.285 56.287 -0.604 0.000 0.863 178 K CB 1.369 33.338 32.500 -0.885 0.000 1.107 178 K HN 0.567 nan 8.250 nan 0.000 0.436 179 E N 0.989 120.947 120.200 -0.403 0.000 2.086 179 E HA -0.265 4.087 4.350 0.003 0.000 0.200 179 E C 1.087 177.477 176.600 -0.350 0.000 1.012 179 E CA 2.056 58.315 56.400 -0.236 0.000 0.812 179 E CB -0.078 29.543 29.700 -0.132 0.000 0.743 179 E HN 0.596 nan 8.360 nan 0.000 0.453 180 Y N -0.001 120.034 120.300 -0.443 0.000 2.546 180 Y HA 0.256 4.808 4.550 0.003 0.000 0.287 180 Y C 0.230 176.001 175.900 -0.214 0.000 1.158 180 Y CA -0.383 57.282 58.100 -0.725 0.000 1.307 180 Y CB -0.345 37.342 38.460 -1.288 0.000 1.036 180 Y HN -0.230 nan 8.280 nan 0.000 0.532 181 D N 2.021 122.267 120.400 -0.256 0.000 2.423 181 D HA 0.120 4.762 4.640 0.003 0.000 0.238 181 D C 0.038 176.407 176.300 0.115 0.000 1.142 181 D CA 0.206 54.191 54.000 -0.024 0.000 0.884 181 D CB 0.642 41.324 40.800 -0.196 0.000 1.199 181 D HN 0.350 nan 8.370 nan 0.000 0.438 182 R N 1.432 122.001 120.500 0.115 0.000 2.881 182 R HA 0.362 4.704 4.340 0.003 0.000 0.331 182 R C -0.528 175.820 176.300 0.081 0.000 1.207 182 R CA -0.286 55.866 56.100 0.088 0.000 1.265 182 R CB 0.303 30.705 30.300 0.170 0.000 1.351 182 R HN 0.296 nan 8.270 nan 0.000 0.613 183 I N 1.226 121.810 120.570 0.023 0.000 2.339 183 I HA 0.280 4.452 4.170 0.003 0.000 0.290 183 I C -0.645 175.426 176.117 -0.076 0.000 0.994 183 I CA -0.883 60.436 61.300 0.031 0.000 1.191 183 I CB 0.927 38.916 38.000 -0.017 0.000 1.343 183 I HN 0.095 nan 8.210 nan 0.000 0.458 184 Y N 4.714 125.006 120.300 -0.013 0.000 2.335 184 Y HA 0.512 5.064 4.550 0.003 0.000 0.339 184 Y C 0.027 175.827 175.900 -0.167 0.000 0.987 184 Y CA -0.342 57.708 58.100 -0.083 0.000 1.140 184 Y CB 0.952 39.368 38.460 -0.073 0.000 1.173 184 Y HN 0.468 nan 8.280 nan 0.000 0.486 185 D N 0.893 121.217 120.400 -0.126 0.000 2.639 185 D HA 0.313 4.954 4.640 0.003 0.000 0.271 185 D C -1.579 174.531 176.300 -0.317 0.000 1.254 185 D CA -0.796 53.063 54.000 -0.234 0.000 0.810 185 D CB 1.435 42.191 40.800 -0.073 0.000 1.351 185 D HN 0.276 nan 8.370 nan 0.000 0.427 186 Y N 0.249 120.540 120.300 -0.015 0.000 2.453 186 Y HA 0.608 5.160 4.550 0.003 0.000 0.326 186 Y C 0.389 176.253 175.900 -0.061 0.000 1.186 186 Y CA -0.499 57.571 58.100 -0.051 0.000 1.200 186 Y CB 1.367 39.788 38.460 -0.065 0.000 1.247 186 Y HN 0.107 nan 8.280 nan 0.000 0.482 187 D N -0.579 119.878 120.400 0.095 0.000 2.648 187 D HA 0.353 4.995 4.640 0.003 0.000 0.244 187 D C -1.261 175.040 176.300 0.001 0.000 1.244 187 D CA -0.472 53.538 54.000 0.017 0.000 0.772 187 D CB 2.136 42.911 40.800 -0.042 0.000 1.379 187 D HN 0.392 nan 8.370 nan 0.000 0.428 188 V N -0.012 119.913 119.914 0.019 0.000 3.336 188 V HA 0.434 4.555 4.120 0.003 0.000 0.304 188 V C 0.035 176.165 176.094 0.061 0.000 1.073 188 V CA -0.165 62.188 62.300 0.089 0.000 1.074 188 V CB 0.402 32.282 31.823 0.095 0.000 1.161 188 V HN 0.489 nan 8.190 nan 0.000 0.460 189 Y N 2.940 123.260 120.300 0.033 0.000 2.636 189 Y HA 0.298 4.850 4.550 0.003 0.000 0.334 189 Y C 1.180 177.048 175.900 -0.052 0.000 1.286 189 Y CA -0.449 57.655 58.100 0.007 0.000 1.688 189 Y CB -0.509 37.953 38.460 0.003 0.000 1.662 189 Y HN 0.853 nan 8.280 nan 0.000 0.465 190 N N -0.330 118.390 118.700 0.034 0.000 2.204 190 N HA -0.024 4.718 4.740 0.003 0.000 0.219 190 N C -0.029 175.465 175.510 -0.026 0.000 1.151 190 N CA 0.049 53.096 53.050 -0.006 0.000 0.867 190 N CB 0.057 38.533 38.487 -0.017 0.000 1.043 190 N HN 0.463 nan 8.380 nan 0.000 0.516 191 D N -0.076 120.315 120.400 -0.015 0.000 2.440 191 D HA 0.099 4.741 4.640 0.003 0.000 0.216 191 D C 1.112 177.450 176.300 0.063 0.000 1.150 191 D CA -0.300 53.692 54.000 -0.013 0.000 0.832 191 D CB -0.120 40.631 40.800 -0.081 0.000 0.992 191 D HN 0.202 nan 8.370 nan 0.000 0.502 192 L N 0.035 121.279 121.223 0.036 0.000 2.202 192 L HA 0.268 4.610 4.340 0.003 0.000 0.205 192 L C 1.661 178.517 176.870 -0.023 0.000 1.083 192 L CA 0.504 55.352 54.840 0.013 0.000 0.790 192 L CB -0.390 41.651 42.059 -0.030 0.000 0.942 192 L HN 0.050 nan 8.230 nan 0.000 0.452 193 G N -0.296 108.480 108.800 -0.039 0.000 2.599 193 G HA2 0.066 4.028 3.960 0.003 0.000 0.264 193 G HA3 0.066 4.028 3.960 0.003 0.000 0.264 193 G C -0.318 174.565 174.900 -0.027 0.000 1.200 193 G CA -0.130 44.941 45.100 -0.049 0.000 0.896 193 G HN 0.141 nan 8.290 nan 0.000 0.536 194 N N 0.278 118.959 118.700 -0.032 0.000 2.703 194 N HA 0.250 4.992 4.740 0.003 0.000 0.283 194 N C -1.470 174.024 175.510 -0.027 0.000 1.851 194 N CA -1.627 51.410 53.050 -0.022 0.000 0.826 194 N CB 1.544 40.021 38.487 -0.018 0.000 1.239 194 N HN 0.138 nan 8.380 nan 0.000 0.495 195 P HA -0.083 nan 4.420 nan 0.000 0.218 195 P C 0.396 177.683 177.300 -0.022 0.000 1.148 195 P CA 1.041 64.125 63.100 -0.027 0.000 0.822 195 P CB 0.592 32.276 31.700 -0.026 0.000 0.784 196 D N -0.081 120.306 120.400 -0.021 0.000 2.219 196 D HA -0.125 4.517 4.640 0.003 0.000 0.205 196 D C 2.019 178.309 176.300 -0.017 0.000 0.970 196 D CA 1.077 55.065 54.000 -0.019 0.000 0.851 196 D CB -0.323 40.465 40.800 -0.019 0.000 0.943 196 D HN 0.304 nan 8.370 nan 0.000 0.488 197 K N -0.656 119.733 120.400 -0.018 0.000 2.166 197 K HA 0.028 4.350 4.320 0.003 0.000 0.201 197 K C 0.052 176.641 176.600 -0.019 0.000 1.052 197 K CA 0.379 56.655 56.287 -0.018 0.000 0.969 197 K CB 0.457 32.946 32.500 -0.018 0.000 0.761 197 K HN -0.007 nan 8.250 nan 0.000 0.459 198 S N -0.694 114.993 115.700 -0.022 0.000 2.578 198 S HA 0.015 4.487 4.470 0.003 0.000 0.285 198 S C -0.050 174.535 174.600 -0.025 0.000 1.126 198 S CA -0.581 57.606 58.200 -0.023 0.000 0.878 198 S CB 1.276 64.462 63.200 -0.025 0.000 1.091 198 S HN 0.397 nan 8.310 nan 0.000 0.450 199 E N 2.987 123.173 120.200 -0.022 0.000 2.204 199 E HA -0.099 4.253 4.350 0.003 0.000 0.195 199 E C 1.144 177.727 176.600 -0.029 0.000 0.990 199 E CA 0.987 57.373 56.400 -0.022 0.000 0.821 199 E CB -0.183 29.508 29.700 -0.015 0.000 0.750 199 E HN 0.609 nan 8.360 nan 0.000 0.477 200 K N 0.458 120.838 120.400 -0.033 0.000 2.362 200 K HA -0.006 4.316 4.320 0.003 0.000 0.200 200 K C 1.573 178.137 176.600 -0.059 0.000 1.046 200 K CA 0.799 57.060 56.287 -0.044 0.000 0.952 200 K CB 0.029 32.504 32.500 -0.041 0.000 0.753 200 K HN 0.288 nan 8.250 nan 0.000 0.466 201 L N 0.610 121.802 121.223 -0.053 0.000 2.628 201 L HA 0.194 4.536 4.340 0.003 0.000 0.229 201 L C 0.533 177.366 176.870 -0.061 0.000 1.137 201 L CA -0.595 54.209 54.840 -0.061 0.000 0.909 201 L CB 0.237 42.266 42.059 -0.049 0.000 1.137 201 L HN -0.044 nan 8.230 nan 0.000 0.470 202 A N 1.085 123.872 122.820 -0.055 0.000 2.409 202 A HA 0.563 4.885 4.320 0.003 0.000 0.262 202 A C 0.040 177.580 177.584 -0.073 0.000 1.113 202 A CA -0.075 51.931 52.037 -0.053 0.000 0.790 202 A CB 0.259 19.236 19.000 -0.037 0.000 1.046 202 A HN 0.174 nan 8.150 nan 0.000 0.496 203 R N 2.056 122.505 120.500 -0.085 0.000 2.795 203 R HA 0.553 4.895 4.340 0.003 0.000 0.275 203 R C -2.809 173.406 176.300 -0.142 0.000 0.981 203 R CA -1.848 54.177 56.100 -0.124 0.000 0.917 203 R CB 1.240 31.454 30.300 -0.143 0.000 1.202 203 R HN 0.687 nan 8.270 nan 0.000 0.469 204 P HA 0.133 nan 4.420 nan 0.000 0.271 204 P C -0.237 176.888 177.300 -0.291 0.000 1.218 204 P CA -0.375 62.559 63.100 -0.277 0.000 0.780 204 P CB 0.715 32.062 31.700 -0.588 0.000 0.901 205 V N 3.727 123.542 119.914 -0.164 0.000 2.508 205 V HA 0.050 4.172 4.120 0.003 0.000 0.281 205 V C 0.747 176.767 176.094 -0.123 0.000 1.041 205 V CA -0.075 62.168 62.300 -0.095 0.000 1.016 205 V CB 0.120 31.939 31.823 -0.007 0.000 0.984 205 V HN 0.337 nan 8.190 nan 0.000 0.478 206 L N 5.525 126.669 121.223 -0.133 0.000 2.265 206 L HA 0.828 5.170 4.340 0.003 0.000 0.289 206 L C 0.576 177.497 176.870 0.086 0.000 1.033 206 L CA -0.070 54.670 54.840 -0.167 0.000 0.814 206 L CB 1.038 42.714 42.059 -0.638 0.000 1.203 206 L HN 0.919 nan 8.230 nan 0.000 0.423 207 G N 1.217 110.129 108.800 0.188 0.000 2.592 207 G HA2 0.337 4.299 3.960 0.003 0.000 0.685 207 G HA3 0.337 4.299 3.960 0.003 0.000 0.685 207 G C 0.227 175.224 174.900 0.162 0.000 1.278 207 G CA -0.308 44.923 45.100 0.219 0.000 0.822 207 G HN 1.028 nan 8.290 nan 0.000 0.652 208 G N -1.188 107.697 108.800 0.142 0.000 2.159 208 G HA2 0.268 4.230 3.960 0.003 0.000 0.256 208 G HA3 0.268 4.230 3.960 0.003 0.000 0.256 208 G C 0.757 175.721 174.900 0.106 0.000 0.977 208 G CA 1.518 46.678 45.100 0.100 0.000 0.652 208 G HN 2.788 nan 8.290 nan 0.000 0.531 209 S N -1.634 114.150 115.700 0.140 0.000 2.618 209 S HA 0.777 5.248 4.470 0.003 0.000 0.277 209 S C 1.111 175.777 174.600 0.110 0.000 1.138 209 S CA 0.689 58.960 58.200 0.117 0.000 0.844 209 S CB 1.515 64.799 63.200 0.140 0.000 1.127 209 S HN 1.343 nan 8.310 nan 0.000 0.474 210 S N 0.498 116.234 115.700 0.061 0.000 2.436 210 S HA -0.033 4.438 4.470 0.003 0.000 0.228 210 S C 1.511 176.103 174.600 -0.014 0.000 1.014 210 S CA 1.238 59.463 58.200 0.041 0.000 0.950 210 S CB -1.184 62.029 63.200 0.022 0.000 0.784 210 S HN 0.767 nan 8.310 nan 0.000 0.504 211 T N 1.306 115.809 114.554 -0.086 0.000 2.737 211 T HA 0.131 4.483 4.350 0.003 0.000 0.265 211 T C -0.128 174.267 174.700 -0.509 0.000 1.038 211 T CA 0.960 62.858 62.100 -0.337 0.000 1.144 211 T CB -0.347 68.264 68.868 -0.428 0.000 0.866 211 T HN 0.465 nan 8.240 nan 0.000 0.434 212 F N 2.552 122.560 119.950 0.096 0.000 2.550 212 F HA 0.360 4.889 4.527 0.003 0.000 0.348 212 F C -2.452 173.446 175.800 0.164 0.000 1.219 212 F CA -3.271 54.794 58.000 0.109 0.000 1.203 212 F CB 0.957 39.985 39.000 0.046 0.000 1.436 212 F HN -0.073 nan 8.300 nan 0.000 0.541 213 P HA 0.194 nan 4.420 nan 0.000 0.274 213 P C -1.167 176.473 177.300 0.566 0.000 1.231 213 P CA -0.030 63.332 63.100 0.436 0.000 0.790 213 P CB 1.870 33.828 31.700 0.429 0.000 0.951 214 Y N 0.414 120.794 120.300 0.133 0.000 2.638 214 Y HA 0.290 4.842 4.550 0.003 0.000 0.334 214 Y C -2.671 172.932 175.900 -0.495 0.000 1.182 214 Y CA -1.915 55.934 58.100 -0.419 0.000 1.102 214 Y CB 1.348 39.670 38.460 -0.229 0.000 1.343 214 Y HN 0.269 nan 8.280 nan 0.000 0.463 215 P HA 0.243 nan 4.420 nan 0.000 0.270 215 P C -0.667 176.492 177.300 -0.235 0.000 1.223 215 P CA -0.241 62.413 63.100 -0.742 0.000 0.785 215 P CB 0.577 31.708 31.700 -0.947 0.000 0.923 216 R N 1.852 122.228 120.500 -0.206 0.000 2.577 216 R HA 0.463 4.805 4.340 0.003 0.000 0.269 216 R C 0.687 177.010 176.300 0.037 0.000 1.084 216 R CA -0.313 55.789 56.100 0.004 0.000 1.163 216 R CB 0.400 30.697 30.300 -0.005 0.000 1.100 216 R HN 0.628 nan 8.270 nan 0.000 0.547 217 R N -1.489 118.995 120.500 -0.027 0.000 2.930 217 R HA 0.574 4.916 4.340 0.003 0.000 0.257 217 R C -0.133 176.108 176.300 -0.098 0.000 1.107 217 R CA -0.792 55.225 56.100 -0.137 0.000 0.999 217 R CB -0.151 29.844 30.300 -0.509 0.000 1.209 217 R HN 0.590 nan 8.270 nan 0.000 0.486 218 G N 0.751 109.486 108.800 -0.107 0.000 2.343 218 G HA2 0.161 4.122 3.960 0.003 0.000 0.254 218 G HA3 0.161 4.122 3.960 0.003 0.000 0.254 218 G C -0.612 174.240 174.900 -0.081 0.000 1.277 218 G CA -0.503 44.537 45.100 -0.100 0.000 0.909 218 G HN 0.585 nan 8.290 nan 0.000 0.502 219 R N 1.134 121.594 120.500 -0.066 0.000 2.489 219 R HA 0.196 4.538 4.340 0.003 0.000 0.287 219 R C 1.345 177.619 176.300 -0.044 0.000 1.053 219 R CA 0.655 56.716 56.100 -0.065 0.000 1.036 219 R CB 0.452 30.714 30.300 -0.064 0.000 0.966 219 R HN 0.604 nan 8.270 nan 0.000 0.432 220 T N 0.317 114.811 114.554 -0.101 0.000 2.978 220 T HA 0.177 4.529 4.350 0.003 0.000 0.248 220 T C 1.253 175.812 174.700 -0.236 0.000 1.018 220 T CA 0.314 62.332 62.100 -0.137 0.000 1.026 220 T CB 0.343 69.109 68.868 -0.170 0.000 1.032 220 T HN 0.753 nan 8.240 nan 0.000 0.485 221 G N 2.489 111.172 108.800 -0.195 0.000 2.249 221 G HA2 -0.326 3.636 3.960 0.003 0.000 0.273 221 G HA3 -0.326 3.636 3.960 0.003 0.000 0.273 221 G C 0.811 175.603 174.900 -0.181 0.000 1.036 221 G CA 0.476 45.468 45.100 -0.181 0.000 0.824 221 G HN 0.565 nan 8.290 nan 0.000 0.504 222 R N 0.001 120.385 120.500 -0.193 0.000 2.280 222 R HA 0.337 4.678 4.340 0.003 0.000 0.207 222 R C 1.677 177.897 176.300 -0.134 0.000 1.043 222 R CA 0.851 56.846 56.100 -0.176 0.000 1.006 222 R CB -0.028 30.147 30.300 -0.208 0.000 0.885 222 R HN 1.600 nan 8.270 nan 0.000 0.467 223 G N 0.763 109.491 108.800 -0.121 0.000 2.603 223 G HA2 -0.157 3.805 3.960 0.003 0.000 0.686 223 G HA3 -0.157 3.805 3.960 0.003 0.000 0.686 223 G C -2.962 171.889 174.900 -0.082 0.000 1.286 223 G CA -1.259 43.786 45.100 -0.092 0.000 0.871 223 G HN -0.081 nan 8.290 nan 0.000 0.568 224 P HA 0.414 nan 4.420 nan 0.000 0.274 224 P C 0.763 178.033 177.300 -0.050 0.000 1.237 224 P CA 0.277 63.346 63.100 -0.053 0.000 0.793 224 P CB 0.668 32.343 31.700 -0.041 0.000 0.977 225 T N -2.189 112.339 114.554 -0.044 0.000 2.816 225 T HA 0.146 4.498 4.350 0.003 0.000 0.282 225 T C 1.308 175.989 174.700 -0.031 0.000 0.993 225 T CA -0.562 61.515 62.100 -0.038 0.000 0.994 225 T CB -0.015 68.833 68.868 -0.034 0.000 1.025 225 T HN 0.042 nan 8.240 nan 0.000 0.529 226 V N 1.527 121.425 119.914 -0.027 0.000 2.358 226 V HA -0.135 3.986 4.120 0.003 0.000 0.246 226 V C 3.086 179.168 176.094 -0.020 0.000 1.047 226 V CA 2.279 64.565 62.300 -0.023 0.000 1.035 226 V CB -1.531 30.280 31.823 -0.021 0.000 0.658 226 V HN 1.153 nan 8.190 nan 0.000 0.452 227 T N -2.779 111.764 114.554 -0.020 0.000 3.043 227 T HA -0.003 4.349 4.350 0.003 0.000 0.263 227 T C 0.528 175.219 174.700 -0.016 0.000 1.094 227 T CA 0.812 62.902 62.100 -0.017 0.000 1.127 227 T CB 0.059 68.917 68.868 -0.016 0.000 0.905 227 T HN 0.424 nan 8.240 nan 0.000 0.490 228 D N 1.576 121.964 120.400 -0.020 0.000 2.575 228 D HA 0.332 4.974 4.640 0.003 0.000 0.250 228 D C -2.175 174.112 176.300 -0.022 0.000 1.279 228 D CA -2.493 51.495 54.000 -0.018 0.000 0.925 228 D CB 2.311 43.099 40.800 -0.019 0.000 1.261 228 D HN -0.131 nan 8.370 nan 0.000 0.567 229 P HA -0.034 nan 4.420 nan 0.000 0.226 229 P C 0.190 177.477 177.300 -0.022 0.000 1.153 229 P CA 0.705 63.792 63.100 -0.021 0.000 0.777 229 P CB 0.375 32.065 31.700 -0.016 0.000 0.794 230 N N -1.202 117.488 118.700 -0.017 0.000 2.353 230 N HA 0.030 4.772 4.740 0.003 0.000 0.185 230 N C -0.071 175.425 175.510 -0.023 0.000 1.098 230 N CA 0.295 53.336 53.050 -0.015 0.000 0.872 230 N CB 0.128 38.613 38.487 -0.004 0.000 0.970 230 N HN 0.020 nan 8.380 nan 0.000 0.467 231 T N 0.468 115.004 114.554 -0.030 0.000 2.794 231 T HA 0.144 4.496 4.350 0.003 0.000 0.280 231 T C -0.390 174.279 174.700 -0.051 0.000 0.987 231 T CA -0.591 61.486 62.100 -0.038 0.000 0.993 231 T CB 2.182 71.029 68.868 -0.036 0.000 0.939 231 T HN 0.050 nan 8.240 nan 0.000 0.449 232 E N 2.949 123.109 120.200 -0.067 0.000 2.360 232 E HA 0.147 4.499 4.350 0.003 0.000 0.269 232 E C 0.373 176.915 176.600 -0.096 0.000 1.022 232 E CA -0.709 55.633 56.400 -0.096 0.000 0.887 232 E CB 0.580 30.198 29.700 -0.137 0.000 0.990 232 E HN 0.556 nan 8.360 nan 0.000 0.426 233 K N 3.677 124.019 120.400 -0.097 0.000 2.230 233 K HA 0.047 4.368 4.320 0.003 0.000 0.253 233 K C -0.010 176.530 176.600 -0.098 0.000 1.008 233 K CA -0.559 55.680 56.287 -0.081 0.000 0.910 233 K CB 0.562 33.019 32.500 -0.072 0.000 0.994 233 K HN 0.364 nan 8.250 nan 0.000 0.495 234 Q N -0.118 119.653 119.800 -0.050 0.000 2.454 234 Q HA 0.287 4.629 4.340 0.003 0.000 0.247 234 Q C 0.088 176.069 176.000 -0.032 0.000 1.028 234 Q CA 0.345 56.144 55.803 -0.007 0.000 0.910 234 Q CB 1.353 30.109 28.738 0.029 0.000 1.276 234 Q HN 0.888 nan 8.270 nan 0.000 0.489 235 G N 0.231 109.055 108.800 0.040 0.000 2.759 235 G HA2 0.227 4.189 3.960 0.003 0.000 0.297 235 G HA3 0.227 4.189 3.960 0.003 0.000 0.297 235 G C -0.129 174.868 174.900 0.161 0.000 1.434 235 G CA -0.459 44.656 45.100 0.024 0.000 0.980 235 G HN 0.496 nan 8.290 nan 0.000 0.531 236 E N 0.154 120.411 120.200 0.095 0.000 2.274 236 E HA 0.047 4.398 4.350 0.003 0.000 0.194 236 E C 0.579 177.258 176.600 0.132 0.000 0.996 236 E CA 0.765 57.223 56.400 0.097 0.000 0.840 236 E CB 0.206 29.932 29.700 0.042 0.000 0.772 236 E HN 0.253 nan 8.360 nan 0.000 0.491 237 V N 1.531 121.540 119.914 0.158 0.000 2.525 237 V HA 0.276 4.398 4.120 0.003 0.000 0.299 237 V C -1.035 175.224 176.094 0.274 0.000 1.034 237 V CA -0.790 61.615 62.300 0.175 0.000 0.863 237 V CB 1.242 33.110 31.823 0.076 0.000 0.999 237 V HN -0.033 nan 8.190 nan 0.000 0.423 238 F N 4.876 124.813 119.950 -0.022 0.000 2.390 238 F HA 0.376 4.905 4.527 0.003 0.000 0.361 238 F C 0.215 176.011 175.800 -0.006 0.000 1.124 238 F CA -1.050 56.941 58.000 -0.016 0.000 1.149 238 F CB 0.337 39.317 39.000 -0.033 0.000 1.160 238 F HN 0.579 nan 8.300 nan 0.000 0.501 239 Y N 4.772 125.052 120.300 -0.033 0.000 2.683 239 Y HA 0.412 4.964 4.550 0.003 0.000 0.340 239 Y C -0.438 175.406 175.900 -0.093 0.000 1.245 239 Y CA -0.543 57.501 58.100 -0.093 0.000 1.485 239 Y CB 0.587 38.945 38.460 -0.171 0.000 1.328 239 Y HN 0.351 nan 8.280 nan 0.000 0.603 240 V N 2.954 122.238 119.914 -1.050 0.000 2.932 240 V HA 0.546 4.668 4.120 0.003 0.000 0.307 240 V C -2.954 172.284 176.094 -1.426 0.000 1.147 240 V CA -2.908 58.782 62.300 -1.016 0.000 0.951 240 V CB 1.597 33.168 31.823 -0.420 0.000 1.031 240 V HN 0.686 nan 8.190 nan 0.000 0.426 241 P HA 0.088 nan 4.420 nan 0.000 0.263 241 P C 0.672 177.739 177.300 -0.390 0.000 1.175 241 P CA 0.296 62.936 63.100 -0.766 0.000 0.761 241 P CB 0.526 31.556 31.700 -1.116 0.000 0.794 242 R N 4.030 124.436 120.500 -0.158 0.000 2.159 242 R HA -0.236 4.106 4.340 0.003 0.000 0.249 242 R C 1.095 177.486 176.300 0.151 0.000 1.136 242 R CA 2.209 58.316 56.100 0.013 0.000 0.951 242 R CB -1.255 29.129 30.300 0.140 0.000 0.876 242 R HN 0.474 nan 8.270 nan 0.000 0.440 243 D N 0.189 120.729 120.400 0.233 0.000 2.371 243 D HA -0.079 4.563 4.640 0.003 0.000 0.221 243 D C 1.126 177.554 176.300 0.214 0.000 0.986 243 D CA 0.496 54.696 54.000 0.334 0.000 0.899 243 D CB 0.021 41.047 40.800 0.377 0.000 0.902 243 D HN 0.347 nan 8.370 nan 0.000 0.530 244 E N 0.463 120.711 120.200 0.081 0.000 2.358 244 E HA -0.068 4.284 4.350 0.003 0.000 0.195 244 E C 0.648 177.268 176.600 0.032 0.000 1.010 244 E CA 0.312 56.734 56.400 0.037 0.000 0.856 244 E CB -0.117 29.539 29.700 -0.073 0.000 0.795 244 E HN 0.129 nan 8.360 nan 0.000 0.504 245 N N 0.828 119.549 118.700 0.036 0.000 2.990 245 N HA 0.122 4.864 4.740 0.003 0.000 0.288 245 N C -0.961 174.599 175.510 0.083 0.000 1.624 245 N CA -0.084 52.984 53.050 0.029 0.000 0.961 245 N CB -0.207 38.264 38.487 -0.027 0.000 1.259 245 N HN -0.097 nan 8.380 nan 0.000 0.489 246 L N 0.116 121.388 121.223 0.082 0.000 2.395 246 L HA 0.512 4.854 4.340 0.003 0.000 0.269 246 L C 1.631 178.422 176.870 -0.132 0.000 1.133 246 L CA -0.781 54.103 54.840 0.073 0.000 0.812 246 L CB 0.835 42.889 42.059 -0.009 0.000 1.125 246 L HN 0.280 nan 8.230 nan 0.000 0.452 247 G N 0.357 109.105 108.800 -0.087 0.000 2.489 247 G HA2 0.295 4.257 3.960 0.003 0.000 0.271 247 G HA3 0.295 4.257 3.960 0.003 0.000 0.271 247 G C -0.519 174.096 174.900 -0.474 0.000 1.427 247 G CA -0.350 44.657 45.100 -0.155 0.000 1.057 247 G HN 0.650 nan 8.290 nan 0.000 0.532 248 H N -0.904 118.186 119.070 0.033 0.000 2.865 248 H HA 0.230 4.787 4.556 0.003 0.000 0.362 248 H C 0.765 176.109 175.328 0.027 0.000 1.114 248 H CA -0.590 55.471 56.048 0.022 0.000 1.208 248 H CB 2.143 31.922 29.762 0.029 0.000 1.727 248 H HN 0.209 nan 8.280 nan 0.000 0.534 249 L N 0.806 122.103 121.223 0.123 0.000 2.201 249 L HA -0.062 4.280 4.340 0.003 0.000 0.212 249 L C 0.424 177.349 176.870 0.092 0.000 1.105 249 L CA 1.473 56.366 54.840 0.087 0.000 0.775 249 L CB -0.116 41.980 42.059 0.062 0.000 0.913 249 L HN 0.214 nan 8.230 nan 0.000 0.440 250 K N -0.940 119.524 120.400 0.106 0.000 2.274 250 K HA 0.198 4.520 4.320 0.003 0.000 0.262 250 K C 0.789 177.425 176.600 0.060 0.000 0.961 250 K CA -0.207 56.121 56.287 0.069 0.000 0.833 250 K CB 2.160 34.690 32.500 0.050 0.000 1.102 250 K HN -0.273 nan 8.250 nan 0.000 0.436 251 S N 2.787 118.512 115.700 0.041 0.000 2.382 251 S HA -0.165 4.307 4.470 0.003 0.000 0.228 251 S C 1.614 176.200 174.600 -0.023 0.000 1.027 251 S CA 1.604 59.817 58.200 0.022 0.000 0.991 251 S CB -0.012 63.201 63.200 0.022 0.000 0.823 251 S HN 0.697 nan 8.310 nan 0.000 0.469 252 K N -0.029 120.358 120.400 -0.022 0.000 2.360 252 K HA -0.070 4.252 4.320 0.003 0.000 0.201 252 K C 0.743 177.295 176.600 -0.079 0.000 1.046 252 K CA 1.558 57.821 56.287 -0.040 0.000 0.945 252 K CB -0.241 32.246 32.500 -0.020 0.000 0.750 252 K HN 0.207 nan 8.250 nan 0.000 0.464 253 D N 1.313 121.642 120.400 -0.118 0.000 2.355 253 D HA 0.052 4.694 4.640 0.003 0.000 0.218 253 D C 0.402 176.349 176.300 -0.589 0.000 1.004 253 D CA 0.459 54.317 54.000 -0.237 0.000 0.880 253 D CB 0.408 41.127 40.800 -0.136 0.000 0.911 253 D HN 0.379 nan 8.370 nan 0.000 0.528 254 A N 0.880 123.424 122.820 -0.460 0.000 3.033 254 A HA 0.174 4.496 4.320 0.003 0.000 0.250 254 A C 1.694 179.177 177.584 -0.168 0.000 1.633 254 A CA -0.191 51.601 52.037 -0.408 0.000 1.290 254 A CB -0.986 17.963 19.000 -0.085 0.000 1.048 254 A HN 0.171 nan 8.150 nan 0.000 0.648 255 L N 0.303 121.432 121.223 -0.157 0.000 2.089 255 L HA -0.254 4.088 4.340 0.003 0.000 0.213 255 L C 2.817 179.683 176.870 -0.006 0.000 1.079 255 L CA 1.808 56.618 54.840 -0.050 0.000 0.758 255 L CB -0.473 41.582 42.059 -0.006 0.000 0.891 255 L HN 0.754 nan 8.230 nan 0.000 0.433 256 E N 1.587 121.799 120.200 0.019 0.000 2.267 256 E HA -0.248 4.103 4.350 0.003 0.000 0.197 256 E C 1.916 178.526 176.600 0.016 0.000 0.998 256 E CA 1.820 58.246 56.400 0.043 0.000 0.830 256 E CB -0.634 29.114 29.700 0.080 0.000 0.751 256 E HN 0.818 nan 8.360 nan 0.000 0.491 257 I N -1.958 118.615 120.570 0.005 0.000 3.111 257 I HA 0.209 4.381 4.170 0.003 0.000 0.272 257 I C 2.168 178.274 176.117 -0.018 0.000 1.268 257 I CA 0.768 62.064 61.300 -0.007 0.000 1.467 257 I CB -0.392 37.607 38.000 -0.002 0.000 1.087 257 I HN -0.037 nan 8.210 nan 0.000 0.467 258 G N 2.146 110.936 108.800 -0.016 0.000 2.440 258 G HA2 -0.320 3.642 3.960 0.003 0.000 0.218 258 G HA3 -0.320 3.642 3.960 0.003 0.000 0.218 258 G C 1.749 176.641 174.900 -0.014 0.000 1.154 258 G CA 1.791 46.881 45.100 -0.016 0.000 0.767 258 G HN 0.553 nan 8.290 nan 0.000 0.552 259 T N -0.735 113.810 114.554 -0.016 0.000 2.746 259 T HA -0.090 4.262 4.350 0.003 0.000 0.267 259 T C 2.140 176.813 174.700 -0.046 0.000 1.039 259 T CA 1.729 63.813 62.100 -0.026 0.000 1.142 259 T CB -0.213 68.629 68.868 -0.043 0.000 0.866 259 T HN 0.380 nan 8.240 nan 0.000 0.444 260 K N 0.877 121.242 120.400 -0.058 0.000 2.026 260 K HA -0.053 4.268 4.320 0.003 0.000 0.208 260 K C 2.693 179.261 176.600 -0.053 0.000 1.048 260 K CA 1.455 57.700 56.287 -0.071 0.000 0.929 260 K CB -0.301 32.155 32.500 -0.073 0.000 0.713 260 K HN 0.339 nan 8.250 nan 0.000 0.439 261 S N 1.174 116.849 115.700 -0.041 0.000 2.368 261 S HA -0.152 4.320 4.470 0.003 0.000 0.225 261 S C 1.736 176.311 174.600 -0.043 0.000 1.030 261 S CA 1.133 59.310 58.200 -0.039 0.000 0.999 261 S CB -0.266 62.915 63.200 -0.031 0.000 0.844 261 S HN 0.252 nan 8.310 nan 0.000 0.459 262 L N 1.343 122.550 121.223 -0.028 0.000 2.017 262 L HA -0.019 4.323 4.340 0.003 0.000 0.208 262 L C 2.456 179.311 176.870 -0.025 0.000 1.073 262 L CA 1.810 56.641 54.840 -0.016 0.000 0.745 262 L CB -0.926 41.152 42.059 0.031 0.000 0.894 262 L HN 0.261 nan 8.230 nan 0.000 0.432 263 S N -1.342 114.341 115.700 -0.028 0.000 2.355 263 S HA -0.201 4.271 4.470 0.003 0.000 0.222 263 S C 1.924 176.499 174.600 -0.042 0.000 1.031 263 S CA 1.579 59.759 58.200 -0.033 0.000 0.993 263 S CB -0.128 63.041 63.200 -0.051 0.000 0.859 263 S HN 0.654 nan 8.310 nan 0.000 0.453 264 Q N -0.532 119.238 119.800 -0.049 0.000 2.212 264 Q HA 0.219 4.561 4.340 0.003 0.000 0.199 264 Q C 1.889 177.859 176.000 -0.050 0.000 0.950 264 Q CA 1.044 56.819 55.803 -0.047 0.000 0.863 264 Q CB 0.114 28.825 28.738 -0.046 0.000 0.944 264 Q HN 0.565 nan 8.270 nan 0.000 0.465 265 I N -1.251 119.282 120.570 -0.061 0.000 3.136 265 I HA -0.078 4.094 4.170 0.003 0.000 0.262 265 I C 1.913 177.958 176.117 -0.120 0.000 1.132 265 I CA 0.252 61.507 61.300 -0.074 0.000 1.450 265 I CB 0.128 38.089 38.000 -0.065 0.000 1.315 265 I HN -0.079 nan 8.210 nan 0.000 0.460 266 V N 0.926 120.746 119.914 -0.158 0.000 2.323 266 V HA -0.270 3.851 4.120 0.003 0.000 0.244 266 V C 2.459 178.326 176.094 -0.378 0.000 1.041 266 V CA 1.969 64.076 62.300 -0.322 0.000 1.025 266 V CB -0.769 30.862 31.823 -0.320 0.000 0.656 266 V HN 0.463 nan 8.190 nan 0.000 0.451 267 Q N 0.271 119.973 119.800 -0.164 0.000 2.045 267 Q HA -0.226 4.116 4.340 0.003 0.000 0.206 267 Q C -0.080 175.919 176.000 -0.001 0.000 0.991 267 Q CA 2.562 58.351 55.803 -0.023 0.000 0.851 267 Q CB -0.999 27.751 28.738 0.020 0.000 0.911 267 Q HN 0.468 nan 8.270 nan 0.000 0.418 268 P HA -0.118 nan 4.420 nan 0.000 0.218 268 P C 0.598 177.905 177.300 0.011 0.000 1.149 268 P CA 1.937 65.034 63.100 -0.005 0.000 0.817 268 P CB -0.156 31.531 31.700 -0.021 0.000 0.785 269 A N -1.335 121.459 122.820 -0.044 0.000 1.898 269 A HA -0.187 4.135 4.320 0.003 0.000 0.216 269 A C 1.916 179.571 177.584 0.119 0.000 1.181 269 A CA 1.354 53.375 52.037 -0.026 0.000 0.620 269 A CB -1.696 17.222 19.000 -0.137 0.000 0.819 269 A HN 0.028 nan 8.150 nan 0.000 0.442 270 F N 0.501 120.484 119.950 0.056 0.000 2.102 270 F HA -0.120 4.408 4.527 0.003 0.000 0.298 270 F C 2.401 178.305 175.800 0.173 0.000 1.105 270 F CA 1.325 59.395 58.000 0.117 0.000 1.239 270 F CB -1.111 37.926 39.000 0.060 0.000 0.991 270 F HN 0.372 nan 8.300 nan 0.000 0.474 271 E N -0.074 120.286 120.200 0.266 0.000 2.097 271 E HA -0.230 4.121 4.350 0.003 0.000 0.196 271 E C 2.333 179.049 176.600 0.194 0.000 1.000 271 E CA 1.883 58.374 56.400 0.153 0.000 0.804 271 E CB -0.340 29.398 29.700 0.063 0.000 0.740 271 E HN 0.424 nan 8.360 nan 0.000 0.454 272 S N 1.110 116.903 115.700 0.156 0.000 2.368 272 S HA -0.150 4.322 4.470 0.003 0.000 0.225 272 S C 2.298 176.981 174.600 0.139 0.000 1.030 272 S CA 0.980 59.250 58.200 0.118 0.000 0.999 272 S CB -0.336 62.910 63.200 0.076 0.000 0.844 272 S HN 0.301 nan 8.310 nan 0.000 0.459 273 A N 0.828 123.760 122.820 0.186 0.000 1.940 273 A HA 0.058 4.380 4.320 0.003 0.000 0.219 273 A C 1.905 179.511 177.584 0.037 0.000 1.176 273 A CA 1.544 53.649 52.037 0.112 0.000 0.631 273 A CB -0.994 18.090 19.000 0.139 0.000 0.814 273 A HN 0.562 nan 8.150 nan 0.000 0.446 274 F N 0.204 120.160 119.950 0.010 0.000 2.187 274 F HA -0.036 4.493 4.527 0.003 0.000 0.295 274 F C 2.014 177.808 175.800 -0.011 0.000 1.091 274 F CA 1.337 59.326 58.000 -0.018 0.000 1.308 274 F CB -0.362 38.616 39.000 -0.037 0.000 1.030 274 F HN 0.161 nan 8.300 nan 0.000 0.487 275 D N 0.246 120.756 120.400 0.183 0.000 2.178 275 D HA -0.121 4.521 4.640 0.003 0.000 0.201 275 D C 2.105 178.438 176.300 0.055 0.000 0.980 275 D CA 1.197 55.255 54.000 0.097 0.000 0.842 275 D CB -0.366 40.480 40.800 0.076 0.000 0.948 275 D HN 0.246 nan 8.370 nan 0.000 0.472 276 L N -0.117 121.132 121.223 0.044 0.000 2.591 276 L HA 0.106 4.448 4.340 0.003 0.000 0.228 276 L C 0.310 177.175 176.870 -0.008 0.000 1.133 276 L CA 0.052 54.902 54.840 0.017 0.000 0.880 276 L CB -0.239 41.830 42.059 0.017 0.000 1.033 276 L HN -0.060 nan 8.230 nan 0.000 0.450 277 K N -0.397 119.990 120.400 -0.022 0.000 3.096 277 K HA -0.180 4.142 4.320 0.003 0.000 0.266 277 K C 0.888 177.432 176.600 -0.093 0.000 1.043 277 K CA 0.408 56.658 56.287 -0.062 0.000 0.758 277 K CB -1.820 30.661 32.500 -0.031 0.000 1.260 277 K HN 0.187 nan 8.250 nan 0.000 0.481 278 S N -0.424 115.204 115.700 -0.120 0.000 2.558 278 S HA 0.001 4.472 4.470 0.003 0.000 0.217 278 S C 0.583 175.079 174.600 -0.174 0.000 0.975 278 S CA 0.512 58.645 58.200 -0.113 0.000 0.912 278 S CB 0.705 63.864 63.200 -0.068 0.000 0.776 278 S HN 0.492 nan 8.310 nan 0.000 0.526 279 T N 2.143 116.520 114.554 -0.296 0.000 2.956 279 T HA 0.428 4.780 4.350 0.003 0.000 0.312 279 T C -3.162 171.300 174.700 -0.397 0.000 1.151 279 T CA -1.909 59.975 62.100 -0.361 0.000 1.024 279 T CB 1.217 69.777 68.868 -0.513 0.000 1.140 279 T HN -0.259 nan 8.240 nan 0.000 0.473 280 P HA 0.118 nan 4.420 nan 0.000 0.264 280 P C 0.952 178.113 177.300 -0.231 0.000 1.183 280 P CA -0.329 62.684 63.100 -0.145 0.000 0.763 280 P CB 0.307 31.989 31.700 -0.030 0.000 0.807 281 I N 0.695 121.208 120.570 -0.094 0.000 2.493 281 I HA -0.057 4.115 4.170 0.003 0.000 0.254 281 I C 1.108 177.219 176.117 -0.010 0.000 1.160 281 I CA 1.582 62.916 61.300 0.056 0.000 1.445 281 I CB -0.910 37.151 38.000 0.101 0.000 1.086 281 I HN 0.396 nan 8.210 nan 0.000 0.433 282 E N -0.288 119.801 120.200 -0.185 0.000 2.336 282 E HA 0.384 4.736 4.350 0.003 0.000 0.267 282 E C -1.152 175.122 176.600 -0.544 0.000 0.906 282 E CA -0.879 55.312 56.400 -0.348 0.000 0.781 282 E CB 2.104 31.645 29.700 -0.264 0.000 1.261 282 E HN -0.173 nan 8.360 nan 0.000 0.436 283 F N 1.229 120.989 119.950 -0.317 0.000 2.412 283 F HA 0.138 4.667 4.527 0.003 0.000 0.348 283 F C 1.790 177.349 175.800 -0.402 0.000 1.102 283 F CA 0.018 57.854 58.000 -0.274 0.000 1.196 283 F CB 0.518 39.444 39.000 -0.123 0.000 1.144 283 F HN 0.407 nan 8.300 nan 0.000 0.541 284 H N -0.026 119.162 119.070 0.197 0.000 2.740 284 H HA 0.219 4.777 4.556 0.003 0.000 0.265 284 H C 0.271 175.624 175.328 0.042 0.000 0.978 284 H CA 0.620 56.722 56.048 0.090 0.000 1.198 284 H CB 0.626 30.416 29.762 0.046 0.000 1.467 284 H HN 0.498 nan 8.280 nan 0.000 0.511 285 S N -1.242 114.532 115.700 0.123 0.000 2.588 285 S HA 0.185 4.657 4.470 0.003 0.000 0.269 285 S C 0.155 174.810 174.600 0.091 0.000 1.157 285 S CA -0.748 57.466 58.200 0.023 0.000 0.824 285 S CB 0.524 63.728 63.200 0.007 0.000 1.126 285 S HN -0.183 nan 8.310 nan 0.000 0.464 286 F N 1.294 121.178 119.950 -0.109 0.000 2.202 286 F HA -0.005 4.523 4.527 0.003 0.000 0.301 286 F C 2.736 178.355 175.800 -0.301 0.000 1.082 286 F CA 1.616 59.483 58.000 -0.222 0.000 1.313 286 F CB -1.184 37.789 39.000 -0.045 0.000 1.024 286 F HN 0.752 nan 8.300 nan 0.000 0.495 287 Q N 0.846 120.729 119.800 0.138 0.000 2.170 287 Q HA -0.175 4.167 4.340 0.003 0.000 0.203 287 Q C 1.540 177.526 176.000 -0.022 0.000 0.976 287 Q CA 1.714 57.594 55.803 0.128 0.000 0.858 287 Q CB -0.492 28.318 28.738 0.120 0.000 0.907 287 Q HN 0.239 nan 8.270 nan 0.000 0.433 288 D N -1.126 119.252 120.400 -0.037 0.000 2.178 288 D HA -0.108 4.534 4.640 0.003 0.000 0.201 288 D C 1.713 177.899 176.300 -0.190 0.000 0.980 288 D CA 1.129 55.124 54.000 -0.008 0.000 0.842 288 D CB 0.090 40.980 40.800 0.151 0.000 0.948 288 D HN 0.187 nan 8.370 nan 0.000 0.472 289 V N 1.066 120.663 119.914 -0.528 0.000 2.346 289 V HA -0.175 3.946 4.120 0.003 0.000 0.244 289 V C 2.192 177.968 176.094 -0.530 0.000 1.037 289 V CA 1.267 63.090 62.300 -0.794 0.000 1.029 289 V CB -0.525 30.681 31.823 -1.029 0.000 0.663 289 V HN 0.271 nan 8.190 nan 0.000 0.454 290 H N 0.126 119.002 119.070 -0.323 0.000 2.422 290 H HA -0.147 4.411 4.556 0.003 0.000 0.298 290 H C 2.157 177.056 175.328 -0.714 0.000 1.098 290 H CA 1.586 57.305 56.048 -0.548 0.000 1.315 290 H CB -0.400 29.195 29.762 -0.279 0.000 1.382 290 H HN 0.428 nan 8.280 nan 0.000 0.523 291 D N 0.816 121.066 120.400 -0.250 0.000 2.190 291 D HA -0.122 4.520 4.640 0.003 0.000 0.200 291 D C 2.432 178.655 176.300 -0.128 0.000 0.992 291 D CA 0.381 54.288 54.000 -0.155 0.000 0.854 291 D CB -0.307 40.468 40.800 -0.042 0.000 0.936 291 D HN 0.324 nan 8.370 nan 0.000 0.462 292 L N 0.035 121.195 121.223 -0.106 0.000 2.081 292 L HA -0.215 4.127 4.340 0.003 0.000 0.212 292 L C 2.028 179.045 176.870 0.246 0.000 1.080 292 L CA 1.266 56.174 54.840 0.112 0.000 0.754 292 L CB -0.591 41.518 42.059 0.083 0.000 0.893 292 L HN 0.269 nan 8.230 nan 0.000 0.433 293 Y N -2.699 117.714 120.300 0.187 0.000 2.507 293 Y HA 0.366 4.918 4.550 0.003 0.000 0.254 293 Y C 1.420 177.404 175.900 0.141 0.000 1.171 293 Y CA -0.693 57.529 58.100 0.204 0.000 1.238 293 Y CB -0.436 38.134 38.460 0.184 0.000 1.148 293 Y HN 0.089 nan 8.280 nan 0.000 0.525 294 E N 0.852 121.027 120.200 -0.042 0.000 2.933 294 E HA 0.240 4.592 4.350 0.003 0.000 0.301 294 E C 1.943 178.570 176.600 0.045 0.000 0.836 294 E CA 0.214 56.617 56.400 0.005 0.000 1.213 294 E CB -0.462 29.181 29.700 -0.094 0.000 2.349 294 E HN 0.291 nan 8.360 nan 0.000 0.558 295 G N 0.203 109.014 108.800 0.019 0.000 2.511 295 G HA2 0.276 4.238 3.960 0.003 0.000 0.217 295 G HA3 0.276 4.238 3.960 0.003 0.000 0.217 295 G C 0.694 175.630 174.900 0.059 0.000 1.133 295 G CA 0.626 45.748 45.100 0.037 0.000 0.792 295 G HN 0.587 nan 8.290 nan 0.000 0.539 296 G N -0.801 108.044 108.800 0.074 0.000 2.610 296 G HA2 -0.085 3.876 3.960 0.003 0.000 0.304 296 G HA3 -0.085 3.876 3.960 0.003 0.000 0.304 296 G C -0.722 174.238 174.900 0.100 0.000 1.309 296 G CA -0.244 44.927 45.100 0.118 0.000 0.906 296 G HN 0.788 nan 8.290 nan 0.000 0.521 297 I N 0.188 120.827 120.570 0.114 0.000 2.433 297 I HA 0.568 4.740 4.170 0.003 0.000 0.292 297 I C 0.099 176.248 176.117 0.053 0.000 1.001 297 I CA -1.134 60.216 61.300 0.083 0.000 1.119 297 I CB 1.175 39.240 38.000 0.109 0.000 1.289 297 I HN 0.515 nan 8.210 nan 0.000 0.438 298 K N 8.103 128.520 120.400 0.028 0.000 2.258 298 K HA 0.553 4.875 4.320 0.003 0.000 0.284 298 K C -1.187 175.426 176.600 0.022 0.000 1.051 298 K CA -0.352 55.953 56.287 0.031 0.000 0.923 298 K CB 1.317 33.812 32.500 -0.009 0.000 1.046 298 K HN 0.516 nan 8.250 nan 0.000 0.474 299 L N 3.602 124.872 121.223 0.078 0.000 2.327 299 L HA 0.489 4.831 4.340 0.003 0.000 0.258 299 L C -2.437 174.527 176.870 0.157 0.000 1.024 299 L CA -2.766 52.121 54.840 0.079 0.000 0.825 299 L CB 1.946 44.062 42.059 0.094 0.000 1.386 299 L HN 0.327 nan 8.230 nan 0.000 0.417 300 P HA 0.117 nan 4.420 nan 0.000 0.267 300 P C 0.079 177.425 177.300 0.076 0.000 1.200 300 P CA 0.004 63.185 63.100 0.135 0.000 0.772 300 P CB 0.573 32.316 31.700 0.071 0.000 0.855 301 R N 2.287 122.798 120.500 0.018 0.000 2.113 301 R HA -0.200 4.141 4.340 0.003 0.000 0.244 301 R C 1.644 177.891 176.300 -0.088 0.000 1.142 301 R CA 2.186 58.185 56.100 -0.167 0.000 0.953 301 R CB -0.658 29.543 30.300 -0.165 0.000 0.860 301 R HN 0.684 nan 8.270 nan 0.000 0.438 302 D N -0.005 120.374 120.400 -0.036 0.000 2.312 302 D HA -0.083 4.559 4.640 0.003 0.000 0.211 302 D C 1.641 177.925 176.300 -0.027 0.000 0.964 302 D CA 0.758 54.740 54.000 -0.030 0.000 0.877 302 D CB 0.007 40.798 40.800 -0.015 0.000 0.924 302 D HN 0.123 nan 8.370 nan 0.000 0.515 303 V N 1.204 121.112 119.914 -0.011 0.000 2.407 303 V HA -0.162 3.960 4.120 0.003 0.000 0.245 303 V C 2.604 178.672 176.094 -0.044 0.000 1.041 303 V CA 0.649 62.943 62.300 -0.009 0.000 1.040 303 V CB -0.198 31.662 31.823 0.060 0.000 0.671 303 V HN 0.160 nan 8.190 nan 0.000 0.455 304 I N 0.322 120.866 120.570 -0.043 0.000 2.252 304 I HA -0.150 4.022 4.170 0.003 0.000 0.245 304 I C 2.495 178.572 176.117 -0.067 0.000 1.102 304 I CA 1.515 62.775 61.300 -0.066 0.000 1.385 304 I CB -1.312 36.639 38.000 -0.083 0.000 1.064 304 I HN 0.275 nan 8.210 nan 0.000 0.414 305 S N 0.218 115.878 115.700 -0.065 0.000 2.423 305 S HA -0.109 4.363 4.470 0.003 0.000 0.231 305 S C 1.981 176.553 174.600 -0.047 0.000 1.014 305 S CA 1.360 59.527 58.200 -0.054 0.000 0.965 305 S CB -0.192 62.977 63.200 -0.052 0.000 0.785 305 S HN 0.483 nan 8.310 nan 0.000 0.495 306 T N 1.972 116.492 114.554 -0.055 0.000 2.942 306 T HA 0.200 4.552 4.350 0.003 0.000 0.265 306 T C 1.660 176.320 174.700 -0.068 0.000 1.062 306 T CA 0.642 62.705 62.100 -0.060 0.000 1.139 306 T CB -0.125 68.699 68.868 -0.073 0.000 0.883 306 T HN 0.304 nan 8.240 nan 0.000 0.468 307 I N 0.395 120.917 120.570 -0.079 0.000 2.270 307 I HA 0.043 4.215 4.170 0.003 0.000 0.239 307 I C 2.260 178.371 176.117 -0.010 0.000 1.080 307 I CA 0.732 61.995 61.300 -0.061 0.000 1.383 307 I CB -0.234 37.703 38.000 -0.106 0.000 1.097 307 I HN 0.119 nan 8.210 nan 0.000 0.420 308 I N 1.839 122.401 120.570 -0.014 0.000 2.367 308 I HA -0.240 3.932 4.170 0.003 0.000 0.256 308 I C -0.439 175.679 176.117 0.001 0.000 1.132 308 I CA 1.534 62.836 61.300 0.003 0.000 1.397 308 I CB -0.638 37.355 38.000 -0.011 0.000 1.074 308 I HN 0.232 nan 8.210 nan 0.000 0.435 309 P HA 0.086 nan 4.420 nan 0.000 0.259 309 P C 0.271 177.567 177.300 -0.006 0.000 1.233 309 P CA 0.205 63.301 63.100 -0.007 0.000 0.827 309 P CB 0.161 31.854 31.700 -0.012 0.000 1.154 310 L N 3.551 124.769 121.223 -0.007 0.000 2.455 310 L HA 0.207 4.549 4.340 0.003 0.000 0.272 310 L C -1.848 175.016 176.870 -0.010 0.000 1.174 310 L CA -1.881 52.953 54.840 -0.010 0.000 0.869 310 L CB -0.354 41.696 42.059 -0.014 0.000 1.130 310 L HN -0.068 nan 8.230 nan 0.000 0.474 311 P HA 0.077 nan 4.420 nan 0.000 0.271 311 P C 0.795 178.079 177.300 -0.026 0.000 1.218 311 P CA -0.027 63.064 63.100 -0.015 0.000 0.780 311 P CB 1.727 33.422 31.700 -0.008 0.000 0.901 312 V N 1.683 121.575 119.914 -0.036 0.000 0.508 312 V HA -0.350 3.772 4.120 0.003 0.000 0.092 312 V C 2.249 178.299 176.094 -0.072 0.000 2.282 312 V CA 2.259 64.528 62.300 -0.053 0.000 3.591 312 V CB -2.055 29.740 31.823 -0.047 0.000 0.878 312 V HN 0.459 nan 8.190 nan 0.000 0.919 313 I N 1.478 122.016 120.570 -0.053 0.000 2.163 313 I HA -0.243 3.929 4.170 0.003 0.000 0.243 313 I C 2.577 178.661 176.117 -0.054 0.000 1.085 313 I CA 2.835 64.104 61.300 -0.052 0.000 1.347 313 I CB -1.253 36.752 38.000 0.009 0.000 1.044 313 I HN 0.842 nan 8.210 nan 0.000 0.408 314 K N 0.779 121.170 120.400 -0.014 0.000 2.360 314 K HA -0.147 4.174 4.320 0.003 0.000 0.201 314 K C 1.343 177.919 176.600 -0.040 0.000 1.046 314 K CA 1.096 57.390 56.287 0.010 0.000 0.945 314 K CB -0.192 32.314 32.500 0.010 0.000 0.750 314 K HN 0.274 nan 8.250 nan 0.000 0.464 315 E N 1.236 121.380 120.200 -0.094 0.000 2.371 315 E HA -0.003 4.349 4.350 0.003 0.000 0.194 315 E C 1.945 178.419 176.600 -0.211 0.000 1.012 315 E CA 0.490 56.823 56.400 -0.112 0.000 0.860 315 E CB -0.049 29.597 29.700 -0.090 0.000 0.811 315 E HN 0.430 nan 8.360 nan 0.000 0.502 316 L N -0.369 120.616 121.223 -0.396 0.000 2.217 316 L HA -0.051 4.291 4.340 0.003 0.000 0.211 316 L C 0.204 176.584 176.870 -0.817 0.000 1.107 316 L CA 0.826 55.234 54.840 -0.720 0.000 0.783 316 L CB -0.191 41.187 42.059 -1.134 0.000 0.919 316 L HN 0.048 nan 8.230 nan 0.000 0.442 317 Y N -1.803 118.397 120.300 -0.167 0.000 2.534 317 Y HA 0.521 5.073 4.550 0.003 0.000 0.345 317 Y C -0.051 175.791 175.900 -0.097 0.000 1.031 317 Y CA -1.415 56.568 58.100 -0.196 0.000 1.022 317 Y CB 0.915 39.197 38.460 -0.296 0.000 1.292 317 Y HN -0.221 nan 8.280 nan 0.000 0.459 318 R N 0.618 121.181 120.500 0.106 0.000 2.459 318 R HA 0.703 5.045 4.340 0.003 0.000 0.281 318 R C -0.485 175.857 176.300 0.070 0.000 1.050 318 R CA -0.503 55.640 56.100 0.072 0.000 1.055 318 R CB 1.750 32.089 30.300 0.065 0.000 1.045 318 R HN 0.805 nan 8.270 nan 0.000 0.495 319 T N -0.740 113.844 114.554 0.049 0.000 2.843 319 T HA 0.089 4.441 4.350 0.003 0.000 0.302 319 T C -0.323 174.393 174.700 0.027 0.000 1.232 319 T CA -0.780 61.340 62.100 0.033 0.000 1.009 319 T CB 1.311 70.191 68.868 0.018 0.000 1.254 319 T HN 0.712 nan 8.240 nan 0.000 0.504 320 D N 0.290 120.704 120.400 0.024 0.000 2.350 320 D HA 0.224 4.866 4.640 0.003 0.000 0.213 320 D C 1.461 177.763 176.300 0.004 0.000 1.031 320 D CA 0.930 54.943 54.000 0.023 0.000 0.861 320 D CB -0.274 40.548 40.800 0.038 0.000 0.926 320 D HN 1.169 nan 8.370 nan 0.000 0.520 321 G N 0.321 109.115 108.800 -0.010 0.000 2.176 321 G HA2 -0.345 3.617 3.960 0.003 0.000 0.253 321 G HA3 -0.345 3.617 3.960 0.003 0.000 0.253 321 G C 0.878 175.734 174.900 -0.072 0.000 0.979 321 G CA 0.649 45.730 45.100 -0.031 0.000 0.641 321 G HN 0.481 nan 8.290 nan 0.000 0.530 322 Q N -2.605 117.138 119.800 -0.095 0.000 2.599 322 Q HA 0.316 4.658 4.340 0.003 0.000 0.229 322 Q C 1.573 177.309 176.000 -0.440 0.000 0.800 322 Q CA 0.660 56.315 55.803 -0.247 0.000 0.937 322 Q CB 0.663 29.299 28.738 -0.170 0.000 1.285 322 Q HN 0.619 nan 8.270 nan 0.000 0.600 323 H N -1.133 117.935 119.070 -0.003 0.000 3.771 323 H HA 0.365 4.923 4.556 0.003 0.000 0.260 323 H C -0.393 174.932 175.328 -0.005 0.000 1.158 323 H CA -0.163 55.882 56.048 -0.005 0.000 1.170 323 H CB 1.597 31.357 29.762 -0.004 0.000 1.539 323 H HN -0.013 nan 8.280 nan 0.000 0.634 324 I N 2.097 122.725 120.570 0.097 0.000 2.412 324 I HA 0.264 4.436 4.170 0.003 0.000 0.296 324 I C -0.856 175.272 176.117 0.019 0.000 0.987 324 I CA -0.562 60.775 61.300 0.062 0.000 1.180 324 I CB 2.220 40.259 38.000 0.065 0.000 1.340 324 I HN -0.061 nan 8.210 nan 0.000 0.455 325 L N 6.337 127.560 121.223 0.001 0.000 2.356 325 L HA 0.515 4.857 4.340 0.003 0.000 0.277 325 L C -0.504 176.382 176.870 0.027 0.000 0.996 325 L CA -0.649 54.145 54.840 -0.078 0.000 0.822 325 L CB 1.948 43.834 42.059 -0.289 0.000 1.256 325 L HN 0.550 nan 8.230 nan 0.000 0.413 326 K N 3.584 124.030 120.400 0.075 0.000 2.502 326 K HA 0.500 4.822 4.320 0.003 0.000 0.254 326 K C -1.159 175.582 176.600 0.236 0.000 0.947 326 K CA -0.531 55.869 56.287 0.189 0.000 0.834 326 K CB 1.298 33.889 32.500 0.151 0.000 1.112 326 K HN 0.185 nan 8.250 nan 0.000 0.427 327 F N 4.452 124.579 119.950 0.294 0.000 2.380 327 F HA 0.294 4.823 4.527 0.003 0.000 0.325 327 F C -1.475 174.477 175.800 0.253 0.000 1.136 327 F CA -1.769 56.415 58.000 0.306 0.000 1.171 327 F CB 0.416 39.652 39.000 0.393 0.000 1.230 327 F HN 0.451 nan 8.300 nan 0.000 0.554 328 P HA -0.015 nan 4.420 nan 0.000 0.275 328 P C -1.229 176.221 177.300 0.251 0.000 1.228 328 P CA -0.549 62.674 63.100 0.205 0.000 0.786 328 P CB 0.731 32.454 31.700 0.037 0.000 0.927 329 Q N 3.335 123.189 119.800 0.089 0.000 2.271 329 Q HA 0.134 4.476 4.340 0.003 0.000 0.273 329 Q C -2.040 173.817 176.000 -0.239 0.000 1.051 329 Q CA -1.506 54.164 55.803 -0.222 0.000 0.901 329 Q CB -0.115 28.536 28.738 -0.146 0.000 1.174 329 Q HN 0.296 nan 8.270 nan 0.000 0.385 330 P HA 0.012 nan 4.420 nan 0.000 0.271 330 P C -0.455 176.676 177.300 -0.282 0.000 1.216 330 P CA 0.021 62.956 63.100 -0.276 0.000 0.776 330 P CB 0.651 32.049 31.700 -0.502 0.000 0.881 331 H N 0.814 119.707 119.070 -0.295 0.000 2.353 331 H HA -0.147 4.411 4.556 0.003 0.000 0.298 331 H C 1.797 176.913 175.328 -0.352 0.000 1.103 331 H CA 1.613 57.443 56.048 -0.363 0.000 1.293 331 H CB -0.677 28.718 29.762 -0.611 0.000 1.372 331 H HN 0.132 nan 8.280 nan 0.000 0.501 332 V N 1.002 120.770 119.914 -0.242 0.000 2.688 332 V HA -0.148 3.974 4.120 0.003 0.000 0.256 332 V C 1.722 177.781 176.094 -0.058 0.000 1.084 332 V CA 1.776 63.991 62.300 -0.143 0.000 1.103 332 V CB -0.329 31.462 31.823 -0.053 0.000 0.688 332 V HN 0.501 nan 8.190 nan 0.000 0.480 333 V N -3.705 116.137 119.914 -0.121 0.000 3.427 333 V HA 0.206 4.328 4.120 0.003 0.000 0.305 333 V C 1.710 177.758 176.094 -0.077 0.000 1.412 333 V CA 0.541 62.803 62.300 -0.063 0.000 1.086 333 V CB 0.101 31.884 31.823 -0.067 0.000 0.964 333 V HN 0.477 nan 8.190 nan 0.000 0.439 334 Q N 0.410 120.142 119.800 -0.114 0.000 2.291 334 Q HA -0.046 4.296 4.340 0.003 0.000 0.206 334 Q C 1.976 177.950 176.000 -0.043 0.000 0.976 334 Q CA 1.920 57.665 55.803 -0.096 0.000 0.875 334 Q CB 0.199 28.852 28.738 -0.142 0.000 0.927 334 Q HN 0.698 nan 8.270 nan 0.000 0.450 335 V N -1.480 118.420 119.914 -0.024 0.000 3.013 335 V HA 0.077 4.199 4.120 0.003 0.000 0.238 335 V C 0.487 176.585 176.094 0.006 0.000 1.161 335 V CA 0.413 62.711 62.300 -0.004 0.000 1.170 335 V CB 1.464 33.290 31.823 0.005 0.000 0.917 335 V HN 0.002 nan 8.190 nan 0.000 0.478 336 S N -0.829 114.881 115.700 0.015 0.000 2.672 336 S HA 0.334 4.806 4.470 0.003 0.000 0.291 336 S C 0.152 174.781 174.600 0.049 0.000 1.145 336 S CA -0.454 57.760 58.200 0.023 0.000 1.013 336 S CB 1.981 65.195 63.200 0.023 0.000 1.017 336 S HN 0.314 nan 8.310 nan 0.000 0.487 337 Q N 2.684 122.506 119.800 0.036 0.000 2.378 337 Q HA 0.011 4.353 4.340 0.003 0.000 0.205 337 Q C 1.387 177.502 176.000 0.192 0.000 0.954 337 Q CA 1.417 57.260 55.803 0.065 0.000 0.901 337 Q CB 0.107 28.783 28.738 -0.103 0.000 0.981 337 Q HN 0.832 nan 8.270 nan 0.000 0.483 338 S N -2.117 113.625 115.700 0.069 0.000 2.512 338 S HA 0.273 4.745 4.470 0.003 0.000 0.216 338 S C 1.783 176.224 174.600 -0.264 0.000 1.006 338 S CA 0.175 58.323 58.200 -0.088 0.000 0.915 338 S CB 0.567 63.718 63.200 -0.081 0.000 0.824 338 S HN 0.326 nan 8.310 nan 0.000 0.497 339 A N 2.805 125.585 122.820 -0.066 0.000 2.024 339 A HA -0.060 4.262 4.320 0.003 0.000 0.220 339 A C 1.969 179.529 177.584 -0.040 0.000 1.164 339 A CA 1.338 53.347 52.037 -0.046 0.000 0.643 339 A CB -1.429 17.593 19.000 0.037 0.000 0.806 339 A HN 0.953 nan 8.150 nan 0.000 0.451 340 W N -0.680 120.631 121.300 0.018 0.000 2.364 340 W HA -0.150 4.512 4.660 0.003 0.000 0.281 340 W C 1.411 177.937 176.519 0.012 0.000 1.219 340 W CA 1.209 58.565 57.345 0.018 0.000 1.220 340 W CB -0.976 28.474 29.460 -0.016 0.000 1.127 340 W HN 0.303 nan 8.180 nan 0.000 0.556 341 M N 1.612 120.614 119.600 -0.996 0.000 2.562 341 M HA -0.018 4.464 4.480 0.003 0.000 0.257 341 M C 1.128 177.223 176.300 -0.343 0.000 1.099 341 M CA 1.294 56.024 55.300 -0.950 0.000 1.099 341 M CB -0.641 31.270 32.600 -1.149 0.000 1.427 341 M HN -0.116 nan 8.290 nan 0.000 0.489 342 T N -1.955 112.488 114.554 -0.185 0.000 2.918 342 T HA 0.054 4.406 4.350 0.003 0.000 0.302 342 T C 0.554 175.301 174.700 0.078 0.000 1.045 342 T CA -0.589 61.486 62.100 -0.040 0.000 1.114 342 T CB 1.085 69.945 68.868 -0.013 0.000 0.965 342 T HN 0.047 nan 8.240 nan 0.000 0.540 343 D N 1.454 121.936 120.400 0.136 0.000 2.178 343 D HA -0.050 4.592 4.640 0.003 0.000 0.201 343 D C 1.903 178.355 176.300 0.252 0.000 0.980 343 D CA 1.101 55.257 54.000 0.260 0.000 0.842 343 D CB -0.074 40.893 40.800 0.279 0.000 0.948 343 D HN 0.731 nan 8.370 nan 0.000 0.472 344 E N 0.445 120.736 120.200 0.151 0.000 2.051 344 E HA -0.179 4.173 4.350 0.003 0.000 0.192 344 E C 1.921 178.589 176.600 0.113 0.000 0.991 344 E CA 1.053 57.520 56.400 0.112 0.000 0.799 344 E CB -0.158 29.586 29.700 0.073 0.000 0.748 344 E HN 0.170 nan 8.360 nan 0.000 0.449 345 E N -0.121 120.155 120.200 0.126 0.000 2.072 345 E HA -0.142 4.210 4.350 0.003 0.000 0.191 345 E C 1.718 178.411 176.600 0.155 0.000 0.985 345 E CA 0.711 57.188 56.400 0.130 0.000 0.801 345 E CB -0.399 29.388 29.700 0.144 0.000 0.750 345 E HN 0.272 nan 8.360 nan 0.000 0.452 346 F N 0.771 120.748 119.950 0.045 0.000 2.091 346 F HA -0.227 4.302 4.527 0.003 0.000 0.299 346 F C 1.996 177.800 175.800 0.007 0.000 1.103 346 F CA 2.184 60.204 58.000 0.033 0.000 1.228 346 F CB -0.758 38.269 39.000 0.044 0.000 0.984 346 F HN 0.101 nan 8.300 nan 0.000 0.477 347 A N 0.361 123.166 122.820 -0.025 0.000 1.897 347 A HA -0.110 4.212 4.320 0.003 0.000 0.215 347 A C 2.405 179.880 177.584 -0.182 0.000 1.181 347 A CA 1.290 53.220 52.037 -0.178 0.000 0.620 347 A CB -0.834 18.164 19.000 -0.002 0.000 0.821 347 A HN 0.461 nan 8.150 nan 0.000 0.443 348 R N 0.116 120.562 120.500 -0.091 0.000 2.105 348 R HA -0.158 4.184 4.340 0.003 0.000 0.239 348 R C 1.702 177.918 176.300 -0.141 0.000 1.135 348 R CA 1.726 57.768 56.100 -0.096 0.000 0.967 348 R CB -0.258 30.033 30.300 -0.014 0.000 0.861 348 R HN 0.660 nan 8.270 nan 0.000 0.442 349 E N -0.155 119.947 120.200 -0.164 0.000 2.409 349 E HA -0.167 4.184 4.350 0.003 0.000 0.198 349 E C 1.715 178.160 176.600 -0.258 0.000 1.024 349 E CA 0.869 57.115 56.400 -0.257 0.000 0.861 349 E CB 0.007 29.512 29.700 -0.325 0.000 0.788 349 E HN 0.469 nan 8.360 nan 0.000 0.521 350 M N 0.053 119.491 119.600 -0.269 0.000 2.492 350 M HA 0.010 4.492 4.480 0.003 0.000 0.262 350 M C 2.045 178.187 176.300 -0.265 0.000 1.090 350 M CA 1.003 56.145 55.300 -0.265 0.000 1.110 350 M CB 0.105 32.518 32.600 -0.313 0.000 1.407 350 M HN 0.200 nan 8.290 nan 0.000 0.470 351 I N -4.956 115.446 120.570 -0.280 0.000 4.327 351 I HA 0.447 4.619 4.170 0.003 0.000 0.331 351 I C 1.093 177.170 176.117 -0.067 0.000 1.348 351 I CA -0.061 61.063 61.300 -0.292 0.000 1.152 351 I CB 0.408 38.020 38.000 -0.646 0.000 1.151 351 I HN -0.027 nan 8.210 nan 0.000 0.410 352 A N 1.122 123.870 122.820 -0.119 0.000 2.674 352 A HA 0.715 5.037 4.320 0.003 0.000 0.274 352 A C 0.789 178.456 177.584 0.139 0.000 1.065 352 A CA 0.176 52.130 52.037 -0.138 0.000 0.978 352 A CB -0.368 18.537 19.000 -0.160 0.000 1.242 352 A HN 0.389 nan 8.150 nan 0.000 0.583 353 G N -1.062 107.685 108.800 -0.088 0.000 2.641 353 G HA2 0.391 4.352 3.960 0.003 0.000 0.239 353 G HA3 0.391 4.352 3.960 0.003 0.000 0.239 353 G C 0.975 175.811 174.900 -0.106 0.000 1.402 353 G CA 0.506 45.346 45.100 -0.434 0.000 1.046 353 G HN 0.393 nan 8.290 nan 0.000 0.565 354 V N 0.054 119.827 119.914 -0.236 0.000 2.626 354 V HA 0.038 4.160 4.120 0.003 0.000 0.252 354 V C 0.983 176.975 176.094 -0.169 0.000 1.067 354 V CA 1.678 63.922 62.300 -0.092 0.000 1.081 354 V CB -0.416 31.281 31.823 -0.211 0.000 0.686 354 V HN 0.641 nan 8.190 nan 0.000 0.468 355 N N 0.136 118.752 118.700 -0.140 0.000 2.733 355 N HA 0.253 4.995 4.740 0.003 0.000 0.271 355 N C -2.457 173.033 175.510 -0.032 0.000 1.720 355 N CA -0.883 52.176 53.050 0.016 0.000 0.803 355 N CB 1.492 40.041 38.487 0.104 0.000 1.208 355 N HN 0.275 nan 8.380 nan 0.000 0.498 356 P HA 0.159 nan 4.420 nan 0.000 0.255 356 P C 0.431 177.697 177.300 -0.057 0.000 1.427 356 P CA 0.016 63.057 63.100 -0.098 0.000 0.863 356 P CB -0.779 30.874 31.700 -0.078 0.000 1.444 357 C N -3.211 116.060 119.300 -0.047 0.000 2.994 357 C HA 0.493 4.954 4.460 0.003 0.000 0.250 357 C C 1.281 176.330 174.990 0.099 0.000 1.814 357 C CA -0.475 58.573 59.018 0.051 0.000 1.730 357 C CB -1.045 26.686 27.740 -0.016 0.000 3.258 357 C HN 0.052 nan 8.230 nan 0.000 0.472 358 V N 0.523 120.467 119.914 0.050 0.000 3.484 358 V HA 0.241 4.363 4.120 0.003 0.000 0.252 358 V C 1.133 177.173 176.094 -0.091 0.000 1.282 358 V CA 0.187 62.476 62.300 -0.020 0.000 1.104 358 V CB 0.035 31.823 31.823 -0.059 0.000 0.868 358 V HN 0.679 nan 8.190 nan 0.000 0.457 359 I N 1.997 122.517 120.570 -0.083 0.000 2.815 359 I HA 0.045 4.217 4.170 0.003 0.000 0.291 359 I C 0.367 176.483 176.117 -0.001 0.000 1.209 359 I CA 0.712 61.957 61.300 -0.092 0.000 1.431 359 I CB 0.198 38.092 38.000 -0.177 0.000 1.351 359 I HN 0.234 nan 8.210 nan 0.000 0.585 360 R N 4.535 125.064 120.500 0.048 0.000 2.807 360 R HA 0.488 4.830 4.340 0.003 0.000 0.276 360 R C -0.389 176.050 176.300 0.232 0.000 0.979 360 R CA -0.835 55.331 56.100 0.110 0.000 0.928 360 R CB 1.786 32.099 30.300 0.022 0.000 1.191 360 R HN 0.787 nan 8.270 nan 0.000 0.471 361 G N 1.069 109.985 108.800 0.193 0.000 2.483 361 G HA2 0.356 4.318 3.960 0.003 0.000 0.248 361 G HA3 0.356 4.318 3.960 0.003 0.000 0.248 361 G C -1.128 173.694 174.900 -0.131 0.000 1.248 361 G CA -0.258 44.795 45.100 -0.078 0.000 0.838 361 G HN 0.272 nan 8.290 nan 0.000 0.566 362 L N 0.709 121.789 121.223 -0.238 0.000 2.319 362 L HA 0.475 4.817 4.340 0.003 0.000 0.281 362 L C 0.611 177.417 176.870 -0.108 0.000 1.005 362 L CA -0.315 54.462 54.840 -0.105 0.000 0.828 362 L CB 1.443 43.487 42.059 -0.025 0.000 1.227 362 L HN 0.713 nan 8.230 nan 0.000 0.415 363 E N 3.578 123.739 120.200 -0.065 0.000 2.498 363 E HA 0.114 4.465 4.350 0.003 0.000 0.203 363 E C -0.531 176.069 176.600 -0.001 0.000 1.013 363 E CA 0.063 56.435 56.400 -0.046 0.000 0.927 363 E CB 0.699 30.370 29.700 -0.048 0.000 1.012 363 E HN 0.754 nan 8.360 nan 0.000 0.482 364 E N -0.035 120.179 120.200 0.023 0.000 2.408 364 E HA 0.497 4.849 4.350 0.003 0.000 0.275 364 E C -1.401 175.265 176.600 0.110 0.000 0.935 364 E CA -0.903 55.527 56.400 0.050 0.000 0.775 364 E CB 1.703 31.406 29.700 0.006 0.000 1.277 364 E HN -0.101 nan 8.360 nan 0.000 0.455 365 F N 1.686 121.621 119.950 -0.024 0.000 2.596 365 F HA 0.465 4.994 4.527 0.004 0.000 0.311 365 F C -2.409 173.381 175.800 -0.017 0.000 1.116 365 F CA -1.505 56.483 58.000 -0.021 0.000 0.957 365 F CB 1.827 40.817 39.000 -0.016 0.000 1.250 365 F HN 0.474 nan 8.300 nan 0.000 0.444 366 P HA 0.375 nan 4.420 nan 0.000 0.274 366 P C -2.938 173.970 177.300 -0.653 0.000 1.256 366 P CA -1.352 61.086 63.100 -1.103 0.000 0.795 366 P CB 0.120 31.437 31.700 -0.638 0.000 1.038 367 P HA 0.226 nan 4.420 nan 0.000 0.271 367 P C -0.264 176.882 177.300 -0.257 0.000 1.218 367 P CA 0.177 63.076 63.100 -0.334 0.000 0.780 367 P CB 0.481 32.016 31.700 -0.274 0.000 0.901 368 K N 0.698 120.994 120.400 -0.174 0.000 2.166 368 K HA 0.625 4.947 4.320 0.003 0.000 0.245 368 K C -0.168 176.359 176.600 -0.121 0.000 0.967 368 K CA -0.676 55.530 56.287 -0.135 0.000 0.863 368 K CB 1.479 33.928 32.500 -0.084 0.000 1.107 368 K HN 0.318 nan 8.250 nan 0.000 0.436 369 S N 0.538 116.182 115.700 -0.093 0.000 2.513 369 S HA 0.304 4.776 4.470 0.003 0.000 0.299 369 S C -0.338 174.278 174.600 0.027 0.000 1.087 369 S CA -0.698 57.482 58.200 -0.033 0.000 1.012 369 S CB 0.893 64.070 63.200 -0.038 0.000 1.044 369 S HN 0.570 nan 8.310 nan 0.000 0.485 370 N N 2.454 121.189 118.700 0.058 0.000 2.230 370 N HA 0.358 5.100 4.740 0.003 0.000 0.202 370 N C -0.492 175.073 175.510 0.092 0.000 1.119 370 N CA 0.045 53.132 53.050 0.062 0.000 0.851 370 N CB -0.027 38.492 38.487 0.054 0.000 0.990 370 N HN 0.542 nan 8.380 nan 0.000 0.497 371 L N 0.084 121.380 121.223 0.123 0.000 2.418 371 L HA 0.203 4.545 4.340 0.003 0.000 0.265 371 L C 0.419 177.421 176.870 0.221 0.000 1.143 371 L CA -0.732 54.214 54.840 0.177 0.000 0.809 371 L CB 0.579 42.711 42.059 0.121 0.000 1.124 371 L HN 0.002 nan 8.230 nan 0.000 0.456 372 D N 4.065 124.620 120.400 0.259 0.000 2.363 372 D HA 0.030 4.672 4.640 0.003 0.000 0.263 372 D C -1.434 174.965 176.300 0.164 0.000 1.258 372 D CA -1.658 52.436 54.000 0.157 0.000 0.907 372 D CB 1.105 41.947 40.800 0.069 0.000 1.107 372 D HN 0.221 nan 8.370 nan 0.000 0.495 373 P HA -0.102 nan 4.420 nan 0.000 0.226 373 P C 0.886 178.216 177.300 0.049 0.000 1.153 373 P CA 0.519 63.687 63.100 0.113 0.000 0.777 373 P CB 0.237 31.989 31.700 0.087 0.000 0.794 374 A N -0.274 122.549 122.820 0.006 0.000 2.015 374 A HA -0.070 4.252 4.320 0.003 0.000 0.219 374 A C 2.202 179.727 177.584 -0.098 0.000 1.163 374 A CA 1.034 53.052 52.037 -0.032 0.000 0.646 374 A CB -1.143 17.838 19.000 -0.032 0.000 0.806 374 A HN 0.176 nan 8.150 nan 0.000 0.448 375 I N -3.070 117.379 120.570 -0.201 0.000 2.810 375 I HA -0.035 4.137 4.170 0.003 0.000 0.262 375 I C 1.410 177.223 176.117 -0.507 0.000 1.131 375 I CA 0.766 61.795 61.300 -0.452 0.000 1.453 375 I CB 0.062 37.574 38.000 -0.813 0.000 1.161 375 I HN 0.333 nan 8.210 nan 0.000 0.444 376 Y N 1.158 121.468 120.300 0.017 0.000 2.467 376 Y HA 0.496 5.048 4.550 0.003 0.000 0.250 376 Y C 1.184 177.123 175.900 0.065 0.000 1.155 376 Y CA -0.070 58.043 58.100 0.022 0.000 1.249 376 Y CB -0.083 38.389 38.460 0.020 0.000 1.146 376 Y HN 0.157 nan 8.280 nan 0.000 0.524 377 G N 0.547 109.443 108.800 0.160 0.000 2.756 377 G HA2 -0.244 3.718 3.960 0.003 0.000 0.678 377 G HA3 -0.244 3.718 3.960 0.003 0.000 0.678 377 G C -0.976 174.019 174.900 0.159 0.000 1.349 377 G CA -0.662 44.531 45.100 0.155 0.000 0.847 377 G HN 0.145 nan 8.290 nan 0.000 0.548 378 D N 0.207 120.680 120.400 0.122 0.000 2.581 378 D HA 0.126 4.767 4.640 0.003 0.000 0.238 378 D C 1.452 177.826 176.300 0.124 0.000 1.145 378 D CA 0.307 54.366 54.000 0.099 0.000 0.866 378 D CB 0.641 41.482 40.800 0.068 0.000 1.151 378 D HN 0.354 nan 8.370 nan 0.000 0.500 379 Q N 1.754 121.620 119.800 0.109 0.000 2.246 379 Q HA 0.089 4.431 4.340 0.003 0.000 0.202 379 Q C 0.010 176.013 176.000 0.005 0.000 0.883 379 Q CA -0.037 55.831 55.803 0.107 0.000 0.952 379 Q CB 0.195 29.014 28.738 0.136 0.000 1.078 379 Q HN 0.304 nan 8.270 nan 0.000 0.493 380 S N 0.963 116.665 115.700 0.003 0.000 2.562 380 S HA 0.101 4.572 4.470 0.003 0.000 0.281 380 S C 0.340 174.903 174.600 -0.062 0.000 1.333 380 S CA -0.118 58.057 58.200 -0.041 0.000 1.052 380 S CB 1.102 64.291 63.200 -0.019 0.000 0.884 380 S HN 0.213 nan 8.310 nan 0.000 0.506 381 S N 1.339 116.966 115.700 -0.122 0.000 2.576 381 S HA 0.169 4.640 4.470 0.003 0.000 0.276 381 S C 0.705 175.269 174.600 -0.060 0.000 1.339 381 S CA -0.394 57.731 58.200 -0.126 0.000 1.039 381 S CB 0.263 63.327 63.200 -0.226 0.000 0.902 381 S HN 0.543 nan 8.310 nan 0.000 0.516 382 K N 3.062 123.452 120.400 -0.016 0.000 2.358 382 K HA 0.328 4.650 4.320 0.003 0.000 0.197 382 K C -0.134 176.494 176.600 0.048 0.000 1.025 382 K CA 0.025 56.324 56.287 0.020 0.000 1.104 382 K CB -0.122 32.399 32.500 0.035 0.000 0.855 382 K HN 0.625 nan 8.250 nan 0.000 0.531 383 I N 2.691 123.294 120.570 0.055 0.000 2.471 383 I HA -0.021 4.151 4.170 0.003 0.000 0.286 383 I C 0.717 176.975 176.117 0.235 0.000 1.079 383 I CA -0.062 61.327 61.300 0.148 0.000 1.398 383 I CB 0.681 38.813 38.000 0.221 0.000 1.403 383 I HN -0.024 nan 8.210 nan 0.000 0.530 384 T N 2.676 117.345 114.554 0.192 0.000 2.799 384 T HA 0.498 4.850 4.350 0.003 0.000 0.286 384 T C 1.023 175.801 174.700 0.130 0.000 0.973 384 T CA -0.468 61.740 62.100 0.180 0.000 1.035 384 T CB 1.931 70.849 68.868 0.084 0.000 0.932 384 T HN 0.659 nan 8.240 nan 0.000 0.469 385 A N 2.742 125.621 122.820 0.098 0.000 1.917 385 A HA -0.120 4.202 4.320 0.003 0.000 0.219 385 A C 1.934 179.428 177.584 -0.150 0.000 1.182 385 A CA 1.733 53.646 52.037 -0.206 0.000 0.633 385 A CB -0.861 18.026 19.000 -0.189 0.000 0.819 385 A HN 0.879 nan 8.150 nan 0.000 0.448 386 D N -0.129 120.232 120.400 -0.065 0.000 2.310 386 D HA -0.084 4.558 4.640 0.003 0.000 0.212 386 D C 2.152 178.415 176.300 -0.062 0.000 0.965 386 D CA 1.408 55.371 54.000 -0.062 0.000 0.879 386 D CB -0.215 40.565 40.800 -0.033 0.000 0.921 386 D HN 0.631 nan 8.370 nan 0.000 0.510 387 S N -0.494 115.177 115.700 -0.049 0.000 2.528 387 S HA 0.050 4.521 4.470 0.003 0.000 0.219 387 S C 0.963 175.517 174.600 -0.077 0.000 0.985 387 S CA -0.242 57.930 58.200 -0.047 0.000 0.914 387 S CB -0.167 63.024 63.200 -0.014 0.000 0.776 387 S HN 0.094 nan 8.310 nan 0.000 0.526 388 L N 2.170 123.327 121.223 -0.110 0.000 2.350 388 L HA 0.471 4.813 4.340 0.003 0.000 0.275 388 L C -0.096 176.673 176.870 -0.169 0.000 1.099 388 L CA -0.606 54.150 54.840 -0.141 0.000 0.808 388 L CB 0.470 42.420 42.059 -0.182 0.000 1.149 388 L HN 0.071 nan 8.230 nan 0.000 0.442 389 D N 3.773 124.070 120.400 -0.172 0.000 2.428 389 D HA 0.246 4.888 4.640 0.003 0.000 0.221 389 D C -0.068 176.059 176.300 -0.289 0.000 1.123 389 D CA -0.184 53.705 54.000 -0.185 0.000 0.869 389 D CB 0.897 41.612 40.800 -0.142 0.000 1.032 389 D HN 0.402 nan 8.370 nan 0.000 0.506 390 L N 3.047 124.026 121.223 -0.408 0.000 3.034 390 L HA 0.193 4.535 4.340 0.003 0.000 0.245 390 L C 0.067 176.535 176.870 -0.670 0.000 1.295 390 L CA -0.400 53.904 54.840 -0.893 0.000 1.068 390 L CB -0.082 41.439 42.059 -0.896 0.000 1.426 390 L HN 0.225 nan 8.230 nan 0.000 0.531 391 D N 1.430 121.672 120.400 -0.263 0.000 2.811 391 D HA -0.217 4.425 4.640 0.003 0.000 0.231 391 D C 1.335 177.687 176.300 0.086 0.000 1.157 391 D CA 1.374 55.374 54.000 0.001 0.000 0.716 391 D CB -1.009 39.907 40.800 0.193 0.000 1.077 391 D HN 0.764 nan 8.370 nan 0.000 0.428 392 G N -1.899 106.896 108.800 -0.008 0.000 2.213 392 G HA2 -0.358 3.604 3.960 0.003 0.000 0.236 392 G HA3 -0.358 3.604 3.960 0.003 0.000 0.236 392 G C 0.186 175.055 174.900 -0.052 0.000 0.991 392 G CA 0.109 45.191 45.100 -0.029 0.000 0.629 392 G HN 0.395 nan 8.290 nan 0.000 0.517 393 Y N 2.459 122.675 120.300 -0.139 0.000 2.336 393 Y HA 0.485 5.036 4.550 0.002 0.000 0.331 393 Y C 1.611 177.426 175.900 -0.140 0.000 1.211 393 Y CA 0.508 58.549 58.100 -0.099 0.000 1.346 393 Y CB 0.886 39.311 38.460 -0.057 0.000 1.271 393 Y HN 0.297 nan 8.280 nan 0.000 0.538 394 T N -0.665 113.911 114.554 0.037 0.000 2.847 394 T HA 0.184 4.536 4.350 0.003 0.000 0.279 394 T C 1.097 175.788 174.700 -0.014 0.000 0.984 394 T CA -0.869 61.217 62.100 -0.022 0.000 0.988 394 T CB 0.872 69.723 68.868 -0.028 0.000 1.040 394 T HN 0.705 nan 8.240 nan 0.000 0.528 395 M N 0.946 120.498 119.600 -0.079 0.000 2.080 395 M HA -0.075 4.406 4.480 0.003 0.000 0.260 395 M C 1.422 177.705 176.300 -0.028 0.000 1.068 395 M CA 1.753 56.985 55.300 -0.114 0.000 1.109 395 M CB -1.335 31.147 32.600 -0.196 0.000 1.342 395 M HN 0.713 nan 8.290 nan 0.000 0.405 396 D N -0.009 120.389 120.400 -0.004 0.000 2.144 396 D HA -0.163 4.478 4.640 0.003 0.000 0.199 396 D C 1.945 178.275 176.300 0.050 0.000 0.984 396 D CA 1.516 55.529 54.000 0.021 0.000 0.834 396 D CB -0.269 40.540 40.800 0.015 0.000 0.955 396 D HN 0.590 nan 8.370 nan 0.000 0.465 397 E N 0.531 120.781 120.200 0.084 0.000 2.072 397 E HA -0.056 4.295 4.350 0.003 0.000 0.190 397 E C 2.132 178.873 176.600 0.236 0.000 0.982 397 E CA 0.855 57.353 56.400 0.163 0.000 0.803 397 E CB -0.011 29.803 29.700 0.190 0.000 0.755 397 E HN 0.181 nan 8.360 nan 0.000 0.453 398 A N 1.244 124.197 122.820 0.221 0.000 1.902 398 A HA -0.157 4.165 4.320 0.003 0.000 0.217 398 A C 2.192 179.807 177.584 0.052 0.000 1.181 398 A CA 1.057 53.196 52.037 0.169 0.000 0.623 398 A CB -0.627 18.469 19.000 0.159 0.000 0.818 398 A HN 0.111 nan 8.150 nan 0.000 0.443 399 L N -0.813 120.427 121.223 0.029 0.000 1.994 399 L HA -0.111 4.231 4.340 0.003 0.000 0.208 399 L C 2.877 179.739 176.870 -0.013 0.000 1.071 399 L CA 1.225 56.060 54.840 -0.009 0.000 0.745 399 L CB -0.874 41.194 42.059 0.014 0.000 0.892 399 L HN 0.484 nan 8.230 nan 0.000 0.431 400 G N -0.508 108.303 108.800 0.019 0.000 2.422 400 G HA2 -0.254 3.708 3.960 0.003 0.000 0.218 400 G HA3 -0.254 3.708 3.960 0.003 0.000 0.218 400 G C 1.624 176.534 174.900 0.018 0.000 1.146 400 G CA 0.946 46.057 45.100 0.018 0.000 0.769 400 G HN 0.502 nan 8.290 nan 0.000 0.547 401 S N -0.283 115.440 115.700 0.038 0.000 2.603 401 S HA 0.150 4.622 4.470 0.003 0.000 0.220 401 S C 1.026 175.611 174.600 -0.025 0.000 0.967 401 S CA 0.110 58.330 58.200 0.033 0.000 0.920 401 S CB 0.109 63.367 63.200 0.097 0.000 0.773 401 S HN 0.251 nan 8.310 nan 0.000 0.529 402 R N 0.492 120.950 120.500 -0.071 0.000 3.336 402 R HA -0.123 4.219 4.340 0.003 0.000 0.260 402 R C 0.023 176.195 176.300 -0.214 0.000 1.032 402 R CA 0.603 56.610 56.100 -0.154 0.000 0.693 402 R CB -2.578 27.677 30.300 -0.075 0.000 1.134 402 R HN 0.625 nan 8.270 nan 0.000 0.433 403 R N -0.500 119.858 120.500 -0.236 0.000 2.397 403 R HA 0.219 4.561 4.340 0.003 0.000 0.241 403 R C 0.243 176.382 176.300 -0.268 0.000 0.914 403 R CA -0.343 55.595 56.100 -0.270 0.000 1.071 403 R CB 0.483 30.507 30.300 -0.460 0.000 1.116 403 R HN -0.053 nan 8.270 nan 0.000 0.524 404 L N 1.004 121.985 121.223 -0.403 0.000 2.296 404 L HA 0.475 4.817 4.340 0.003 0.000 0.286 404 L C -1.079 175.421 176.870 -0.618 0.000 1.023 404 L CA -0.209 54.482 54.840 -0.249 0.000 0.812 404 L CB 0.796 42.813 42.059 -0.070 0.000 1.223 404 L HN -0.180 nan 8.230 nan 0.000 0.421 405 F N 4.293 124.252 119.950 0.015 0.000 2.664 405 F HA 0.767 5.295 4.527 0.002 0.000 0.329 405 F C -0.010 175.794 175.800 0.006 0.000 1.090 405 F CA -0.796 57.194 58.000 -0.016 0.000 0.978 405 F CB 1.930 40.886 39.000 -0.073 0.000 1.378 405 F HN 0.391 nan 8.300 nan 0.000 0.495 406 M N 1.490 121.192 119.600 0.169 0.000 2.465 406 M HA 0.642 5.124 4.480 0.003 0.000 0.284 406 M C -2.334 173.955 176.300 -0.018 0.000 1.212 406 M CA -0.900 54.443 55.300 0.072 0.000 0.910 406 M CB 2.530 35.156 32.600 0.043 0.000 1.725 406 M HN 0.463 nan 8.290 nan 0.000 0.477 407 L N 2.749 123.933 121.223 -0.065 0.000 2.297 407 L HA 0.511 4.853 4.340 0.003 0.000 0.277 407 L C -1.239 175.476 176.870 -0.258 0.000 1.040 407 L CA 0.406 55.123 54.840 -0.206 0.000 0.867 407 L CB 0.669 42.631 42.059 -0.162 0.000 1.244 407 L HN 0.761 nan 8.230 nan 0.000 0.433 408 D N 3.214 123.408 120.400 -0.344 0.000 2.428 408 D HA 0.169 4.811 4.640 0.003 0.000 0.221 408 D C -0.366 175.745 176.300 -0.315 0.000 1.123 408 D CA 0.063 53.924 54.000 -0.232 0.000 0.869 408 D CB 0.480 41.211 40.800 -0.116 0.000 1.032 408 D HN 0.423 nan 8.370 nan 0.000 0.506 409 Y N 2.065 122.411 120.300 0.076 0.000 2.584 409 Y HA 0.089 4.641 4.550 0.004 0.000 0.254 409 Y C 1.856 177.887 175.900 0.218 0.000 1.177 409 Y CA -0.377 57.814 58.100 0.150 0.000 1.216 409 Y CB -0.145 38.370 38.460 0.091 0.000 1.172 409 Y HN 0.617 nan 8.280 nan 0.000 0.529 410 H N 0.711 119.893 119.070 0.186 0.000 2.270 410 H HA -0.139 4.419 4.556 0.003 0.000 0.299 410 H C 0.792 176.185 175.328 0.108 0.000 1.077 410 H CA 2.350 58.475 56.048 0.129 0.000 1.294 410 H CB 0.134 29.929 29.762 0.054 0.000 1.371 410 H HN 0.231 nan 8.280 nan 0.000 0.491 411 D N 0.291 120.838 120.400 0.246 0.000 2.178 411 D HA -0.065 4.577 4.640 0.003 0.000 0.202 411 D C 2.536 178.894 176.300 0.097 0.000 0.974 411 D CA 0.728 54.807 54.000 0.132 0.000 0.841 411 D CB -0.162 40.727 40.800 0.147 0.000 0.953 411 D HN 0.441 nan 8.370 nan 0.000 0.478 412 I N -0.475 120.210 120.570 0.191 0.000 2.163 412 I HA -0.241 3.931 4.170 0.003 0.000 0.240 412 I C 1.757 177.939 176.117 0.109 0.000 1.081 412 I CA 0.957 62.379 61.300 0.204 0.000 1.353 412 I CB -0.132 38.080 38.000 0.353 0.000 1.054 412 I HN -0.083 nan 8.210 nan 0.000 0.407 413 F N -0.528 119.493 119.950 0.118 0.000 2.473 413 F HA -0.069 4.459 4.527 0.003 0.000 0.294 413 F C 2.343 178.139 175.800 -0.006 0.000 1.103 413 F CA 0.628 58.681 58.000 0.088 0.000 1.442 413 F CB -0.368 38.676 39.000 0.073 0.000 1.097 413 F HN -0.008 nan 8.300 nan 0.000 0.547 414 M N 1.382 120.965 119.600 -0.028 0.000 2.089 414 M HA -0.165 4.317 4.480 0.003 0.000 0.257 414 M C -1.084 175.032 176.300 -0.307 0.000 1.071 414 M CA 2.265 57.388 55.300 -0.294 0.000 1.096 414 M CB -1.683 30.527 32.600 -0.650 0.000 1.330 414 M HN -0.180 nan 8.290 nan 0.000 0.403 415 P HA -0.108 nan 4.420 nan 0.000 0.225 415 P C 0.419 177.572 177.300 -0.246 0.000 1.148 415 P CA 1.345 64.361 63.100 -0.141 0.000 0.779 415 P CB -0.172 31.477 31.700 -0.085 0.000 0.780 416 Y N -2.573 117.686 120.300 -0.069 0.000 2.444 416 Y HA 0.055 4.606 4.550 0.003 0.000 0.249 416 Y C 2.072 177.936 175.900 -0.060 0.000 1.134 416 Y CA -0.014 58.027 58.100 -0.099 0.000 1.261 416 Y CB -0.308 38.076 38.460 -0.126 0.000 1.143 416 Y HN -0.295 nan 8.280 nan 0.000 0.523 417 V N 0.367 120.333 119.914 0.086 0.000 2.287 417 V HA -0.346 3.776 4.120 0.003 0.000 0.248 417 V C 2.521 178.617 176.094 0.004 0.000 1.053 417 V CA 2.324 64.660 62.300 0.059 0.000 1.027 417 V CB -0.458 31.374 31.823 0.015 0.000 0.646 417 V HN 0.329 nan 8.190 nan 0.000 0.447 418 R N 0.329 120.817 120.500 -0.020 0.000 2.080 418 R HA -0.254 4.088 4.340 0.003 0.000 0.236 418 R C 2.560 178.838 176.300 -0.037 0.000 1.137 418 R CA 2.285 58.366 56.100 -0.032 0.000 0.943 418 R CB -0.338 29.944 30.300 -0.030 0.000 0.846 418 R HN 0.808 nan 8.270 nan 0.000 0.431 419 Q N -0.209 119.534 119.800 -0.095 0.000 2.167 419 Q HA -0.141 4.201 4.340 0.003 0.000 0.202 419 Q C 2.070 178.072 176.000 0.003 0.000 0.970 419 Q CA 1.473 57.198 55.803 -0.129 0.000 0.855 419 Q CB -0.260 28.220 28.738 -0.429 0.000 0.911 419 Q HN 0.447 nan 8.270 nan 0.000 0.438 420 I N 1.639 122.227 120.570 0.030 0.000 2.252 420 I HA -0.207 3.965 4.170 0.003 0.000 0.245 420 I C 1.449 177.637 176.117 0.117 0.000 1.102 420 I CA 0.850 62.251 61.300 0.167 0.000 1.385 420 I CB -0.287 37.822 38.000 0.181 0.000 1.064 420 I HN 0.227 nan 8.210 nan 0.000 0.414 421 N N 0.476 119.208 118.700 0.053 0.000 2.453 421 N HA -0.133 4.609 4.740 0.003 0.000 0.183 421 N C 1.625 177.153 175.510 0.030 0.000 1.041 421 N CA 0.711 53.772 53.050 0.018 0.000 0.900 421 N CB -0.147 38.320 38.487 -0.034 0.000 0.961 421 N HN 0.343 nan 8.380 nan 0.000 0.443 422 Q N 0.085 119.917 119.800 0.053 0.000 2.472 422 Q HA 0.115 4.457 4.340 0.003 0.000 0.208 422 Q C 0.314 176.357 176.000 0.072 0.000 0.958 422 Q CA 0.169 56.006 55.803 0.057 0.000 0.932 422 Q CB 0.198 28.977 28.738 0.067 0.000 1.007 422 Q HN 0.424 nan 8.270 nan 0.000 0.508 423 L N 1.711 122.989 121.223 0.092 0.000 2.418 423 L HA 0.147 4.489 4.340 0.003 0.000 0.265 423 L C 0.495 177.392 176.870 0.045 0.000 1.143 423 L CA -0.576 54.310 54.840 0.078 0.000 0.809 423 L CB 0.325 42.444 42.059 0.101 0.000 1.124 423 L HN -0.054 nan 8.230 nan 0.000 0.456 424 N N 0.639 119.357 118.700 0.029 0.000 2.520 424 N HA 0.040 4.782 4.740 0.003 0.000 0.273 424 N C 0.518 176.035 175.510 0.013 0.000 1.155 424 N CA 0.119 53.180 53.050 0.017 0.000 0.967 424 N CB 1.328 39.821 38.487 0.009 0.000 1.092 424 N HN 0.628 nan 8.380 nan 0.000 0.457 425 S N -1.056 114.650 115.700 0.010 0.000 3.476 425 S HA -0.188 4.283 4.470 0.003 0.000 0.309 425 S C -0.476 174.129 174.600 0.009 0.000 1.222 425 S CA 0.966 59.168 58.200 0.004 0.000 0.922 425 S CB -1.138 62.056 63.200 -0.011 0.000 1.023 425 S HN 0.929 nan 8.310 nan 0.000 0.591 426 A N 0.721 123.555 122.820 0.023 0.000 2.402 426 A HA 0.713 5.035 4.320 0.003 0.000 0.291 426 A C -0.597 177.006 177.584 0.031 0.000 1.051 426 A CA -0.637 51.422 52.037 0.037 0.000 0.716 426 A CB 1.203 20.241 19.000 0.063 0.000 1.223 426 A HN 0.054 nan 8.150 nan 0.000 0.425 427 K N 1.206 121.621 120.400 0.025 0.000 2.535 427 K HA 0.726 5.048 4.320 0.003 0.000 0.250 427 K C -1.020 175.568 176.600 -0.020 0.000 0.948 427 K CA -0.305 55.968 56.287 -0.024 0.000 0.796 427 K CB 2.082 34.557 32.500 -0.041 0.000 1.216 427 K HN 0.733 nan 8.250 nan 0.000 0.432 428 T N 1.015 115.505 114.554 -0.106 0.000 2.812 428 T HA 0.726 5.078 4.350 0.003 0.000 0.294 428 T C -1.561 172.965 174.700 -0.290 0.000 1.159 428 T CA -0.421 61.632 62.100 -0.079 0.000 1.008 428 T CB 0.806 69.705 68.868 0.052 0.000 1.289 428 T HN 0.339 nan 8.240 nan 0.000 0.514 429 Y N 0.038 120.273 120.300 -0.108 0.000 2.570 429 Y HA 0.696 5.248 4.550 0.003 0.000 0.345 429 Y C 0.288 176.136 175.900 -0.087 0.000 1.014 429 Y CA -1.077 56.947 58.100 -0.126 0.000 1.063 429 Y CB 1.949 40.286 38.460 -0.206 0.000 1.272 429 Y HN 0.763 nan 8.280 nan 0.000 0.477 430 A N 1.690 124.590 122.820 0.133 0.000 2.316 430 A HA 0.512 4.834 4.320 0.003 0.000 0.311 430 A C 0.059 177.714 177.584 0.118 0.000 1.339 430 A CA -0.391 51.697 52.037 0.084 0.000 0.960 430 A CB -0.733 18.238 19.000 -0.049 0.000 1.152 430 A HN 0.679 nan 8.150 nan 0.000 0.547 431 T N 0.422 115.043 114.554 0.112 0.000 2.934 431 T HA 0.693 5.045 4.350 0.003 0.000 0.283 431 T C -0.150 174.665 174.700 0.193 0.000 1.005 431 T CA -0.759 61.426 62.100 0.142 0.000 1.041 431 T CB 1.249 70.189 68.868 0.119 0.000 1.042 431 T HN 0.708 nan 8.240 nan 0.000 0.505 432 R N 1.001 121.592 120.500 0.152 0.000 2.533 432 R HA 0.474 4.816 4.340 0.003 0.000 0.288 432 R C -1.469 174.907 176.300 0.127 0.000 1.039 432 R CA -0.477 55.695 56.100 0.119 0.000 0.909 432 R CB 1.880 32.234 30.300 0.091 0.000 1.195 432 R HN 0.837 nan 8.270 nan 0.000 0.438 433 T N 5.463 120.092 114.554 0.125 0.000 2.792 433 T HA 0.440 4.792 4.350 0.003 0.000 0.280 433 T C -0.170 174.631 174.700 0.168 0.000 0.990 433 T CA -0.610 61.600 62.100 0.184 0.000 0.960 433 T CB 0.896 69.894 68.868 0.216 0.000 0.939 433 T HN 0.309 nan 8.240 nan 0.000 0.439 434 I N 4.236 124.938 120.570 0.219 0.000 2.353 434 I HA 0.456 4.628 4.170 0.003 0.000 0.293 434 I C -0.163 176.092 176.117 0.230 0.000 0.992 434 I CA -0.838 60.592 61.300 0.218 0.000 1.268 434 I CB 0.844 38.996 38.000 0.254 0.000 1.387 434 I HN 0.504 nan 8.210 nan 0.000 0.478 435 L N 6.163 127.517 121.223 0.219 0.000 2.354 435 L HA 0.542 4.884 4.340 0.003 0.000 0.269 435 L C -0.807 176.239 176.870 0.295 0.000 1.005 435 L CA -0.623 54.354 54.840 0.229 0.000 0.819 435 L CB 2.329 44.480 42.059 0.153 0.000 1.311 435 L HN 0.364 nan 8.230 nan 0.000 0.423 436 F N 2.607 122.615 119.950 0.097 0.000 2.529 436 F HA 0.576 5.105 4.527 0.003 0.000 0.320 436 F C -0.965 174.866 175.800 0.051 0.000 1.118 436 F CA -0.985 57.047 58.000 0.053 0.000 0.915 436 F CB 1.600 40.587 39.000 -0.022 0.000 1.161 436 F HN 0.268 nan 8.300 nan 0.000 0.445 437 L N 7.607 128.447 121.223 -0.639 0.000 2.342 437 L HA 0.433 4.775 4.340 0.003 0.000 0.285 437 L C -0.006 176.309 176.870 -0.924 0.000 1.095 437 L CA 0.062 54.585 54.840 -0.529 0.000 0.843 437 L CB -0.034 41.890 42.059 -0.226 0.000 1.201 437 L HN 0.635 nan 8.230 nan 0.000 0.445 438 R N 3.450 123.676 120.500 -0.457 0.000 2.774 438 R HA 0.078 4.420 4.340 0.003 0.000 0.269 438 R C 0.868 177.071 176.300 -0.162 0.000 1.068 438 R CA -0.293 55.685 56.100 -0.204 0.000 1.180 438 R CB 0.392 30.710 30.300 0.029 0.000 1.077 438 R HN 0.631 nan 8.270 nan 0.000 0.513 439 E N 1.084 121.277 120.200 -0.011 0.000 2.204 439 E HA -0.191 4.161 4.350 0.003 0.000 0.195 439 E C 0.873 177.480 176.600 0.011 0.000 0.990 439 E CA 1.377 57.793 56.400 0.026 0.000 0.821 439 E CB -0.024 29.752 29.700 0.127 0.000 0.750 439 E HN 0.591 nan 8.360 nan 0.000 0.477 440 D N -0.593 119.816 120.400 0.014 0.000 2.363 440 D HA -0.022 4.620 4.640 0.003 0.000 0.226 440 D C 1.283 177.575 176.300 -0.013 0.000 1.020 440 D CA 0.833 54.839 54.000 0.010 0.000 0.892 440 D CB 0.098 40.911 40.800 0.022 0.000 0.900 440 D HN 0.212 nan 8.370 nan 0.000 0.531 441 G N -0.244 108.530 108.800 -0.043 0.000 2.195 441 G HA2 -0.262 3.700 3.960 0.003 0.000 0.246 441 G HA3 -0.262 3.700 3.960 0.003 0.000 0.246 441 G C 0.486 175.338 174.900 -0.079 0.000 0.984 441 G CA 0.558 45.621 45.100 -0.060 0.000 0.633 441 G HN 0.826 nan 8.290 nan 0.000 0.525 442 T N -0.791 113.724 114.554 -0.065 0.000 2.934 442 T HA 0.756 5.108 4.350 0.003 0.000 0.283 442 T C 0.341 174.988 174.700 -0.088 0.000 1.005 442 T CA -0.849 61.212 62.100 -0.065 0.000 1.041 442 T CB 2.279 71.135 68.868 -0.019 0.000 1.042 442 T HN 0.460 nan 8.240 nan 0.000 0.505 443 L N 1.668 122.836 121.223 -0.093 0.000 2.343 443 L HA 0.594 4.936 4.340 0.003 0.000 0.275 443 L C 0.256 177.141 176.870 0.025 0.000 1.056 443 L CA -0.911 53.883 54.840 -0.077 0.000 0.804 443 L CB 1.362 43.335 42.059 -0.144 0.000 1.203 443 L HN 0.850 nan 8.230 nan 0.000 0.440 444 K N 2.786 123.245 120.400 0.100 0.000 2.443 444 K HA 0.588 4.910 4.320 0.003 0.000 0.252 444 K C -2.924 173.812 176.600 0.226 0.000 0.933 444 K CA -1.830 54.557 56.287 0.167 0.000 0.792 444 K CB 2.269 34.871 32.500 0.169 0.000 1.185 444 K HN 0.120 nan 8.250 nan 0.000 0.425 445 P HA -0.007 nan 4.420 nan 0.000 0.281 445 P C 0.463 177.947 177.300 0.307 0.000 1.252 445 P CA -0.556 62.792 63.100 0.414 0.000 0.778 445 P CB 1.477 33.615 31.700 0.730 0.000 0.895 446 V N -0.204 119.863 119.914 0.254 0.000 3.604 446 V HA 0.728 4.850 4.120 0.003 0.000 0.277 446 V C 0.337 176.487 176.094 0.093 0.000 1.399 446 V CA 0.262 62.620 62.300 0.096 0.000 1.034 446 V CB -0.223 31.626 31.823 0.043 0.000 0.824 446 V HN 0.699 nan 8.190 nan 0.000 0.439 447 A N 0.027 123.009 122.820 0.270 0.000 2.590 447 A HA 0.799 5.121 4.320 0.003 0.000 0.296 447 A C -1.545 176.269 177.584 0.384 0.000 1.050 447 A CA -0.400 51.815 52.037 0.297 0.000 0.697 447 A CB 1.179 20.298 19.000 0.197 0.000 1.277 447 A HN 0.294 nan 8.150 nan 0.000 0.411 448 I N 1.025 121.821 120.570 0.377 0.000 2.499 448 I HA 0.408 4.580 4.170 0.003 0.000 0.288 448 I C -0.327 175.877 176.117 0.146 0.000 1.048 448 I CA -0.241 61.203 61.300 0.240 0.000 1.062 448 I CB 2.222 40.307 38.000 0.142 0.000 1.238 448 I HN 0.832 nan 8.210 nan 0.000 0.426 449 E N 7.008 127.269 120.200 0.102 0.000 2.151 449 E HA 0.518 4.870 4.350 0.003 0.000 0.275 449 E C -1.470 175.133 176.600 0.005 0.000 0.936 449 E CA -0.610 55.825 56.400 0.057 0.000 0.777 449 E CB 1.278 31.021 29.700 0.071 0.000 1.108 449 E HN 0.502 nan 8.360 nan 0.000 0.401 450 L N 3.978 125.130 121.223 -0.119 0.000 2.297 450 L HA 0.363 4.705 4.340 0.003 0.000 0.277 450 L C -0.511 176.303 176.870 -0.093 0.000 1.040 450 L CA -0.538 54.095 54.840 -0.345 0.000 0.867 450 L CB 1.345 42.767 42.059 -1.061 0.000 1.244 450 L HN 0.426 nan 8.230 nan 0.000 0.433 451 S N 3.869 119.644 115.700 0.125 0.000 2.578 451 S HA 0.759 5.231 4.470 0.003 0.000 0.283 451 S C -0.278 174.446 174.600 0.207 0.000 1.195 451 S CA -0.567 57.752 58.200 0.199 0.000 1.050 451 S CB 1.879 65.218 63.200 0.232 0.000 1.012 451 S HN 0.357 nan 8.310 nan 0.000 0.511 452 L N 3.235 124.540 121.223 0.138 0.000 2.401 452 L HA 0.533 4.874 4.340 0.003 0.000 0.266 452 L C -2.399 174.306 176.870 -0.275 0.000 0.991 452 L CA -2.397 52.406 54.840 -0.061 0.000 0.818 452 L CB 2.551 44.567 42.059 -0.072 0.000 1.321 452 L HN 0.400 nan 8.230 nan 0.000 0.413 453 P HA 0.178 nan 4.420 nan 0.000 0.275 453 P C -1.416 175.615 177.300 -0.449 0.000 1.228 453 P CA -0.167 62.849 63.100 -0.140 0.000 0.786 453 P CB 0.732 32.476 31.700 0.074 0.000 0.927 454 H N -0.801 118.339 119.070 0.116 0.000 2.840 454 H HA 0.492 5.050 4.556 0.003 0.000 0.340 454 H C -0.372 174.982 175.328 0.042 0.000 1.004 454 H CA -0.413 55.676 56.048 0.069 0.000 1.288 454 H CB 1.642 31.444 29.762 0.066 0.000 1.607 454 H HN 0.316 nan 8.280 nan 0.000 0.522 455 S N 2.071 117.839 115.700 0.114 0.000 2.632 455 S HA 0.776 5.248 4.470 0.003 0.000 0.289 455 S C -0.536 174.094 174.600 0.050 0.000 1.115 455 S CA -0.529 57.700 58.200 0.047 0.000 0.889 455 S CB 1.004 64.201 63.200 -0.007 0.000 1.116 455 S HN 0.786 nan 8.310 nan 0.000 0.486 456 A N 0.991 123.826 122.820 0.025 0.000 2.531 456 A HA 0.492 4.814 4.320 0.003 0.000 0.236 456 A C 1.446 179.041 177.584 0.019 0.000 1.062 456 A CA 0.588 52.638 52.037 0.021 0.000 0.760 456 A CB -1.261 17.744 19.000 0.008 0.000 0.995 456 A HN 2.271 nan 8.150 nan 0.000 0.501 457 G N 1.802 110.615 108.800 0.022 0.000 2.155 457 G HA2 -0.211 3.751 3.960 0.003 0.000 0.257 457 G HA3 -0.211 3.751 3.960 0.003 0.000 0.257 457 G C -0.083 174.832 174.900 0.026 0.000 0.983 457 G CA 0.367 45.479 45.100 0.019 0.000 0.676 457 G HN 0.916 nan 8.290 nan 0.000 0.528 458 D N -0.245 120.180 120.400 0.041 0.000 2.487 458 D HA 0.247 4.888 4.640 0.003 0.000 0.243 458 D C 1.879 178.205 176.300 0.043 0.000 1.154 458 D CA -0.107 53.923 54.000 0.049 0.000 0.876 458 D CB 0.715 41.570 40.800 0.092 0.000 1.161 458 D HN 0.204 nan 8.370 nan 0.000 0.478 459 L N 1.345 122.587 121.223 0.033 0.000 2.156 459 L HA -0.066 4.276 4.340 0.003 0.000 0.208 459 L C 1.444 178.335 176.870 0.035 0.000 1.095 459 L CA 0.707 55.564 54.840 0.029 0.000 0.770 459 L CB -0.115 41.957 42.059 0.022 0.000 0.914 459 L HN 0.202 nan 8.230 nan 0.000 0.439 460 S N -0.483 115.242 115.700 0.042 0.000 2.548 460 S HA 0.407 4.878 4.470 0.003 0.000 0.277 460 S C 0.859 175.503 174.600 0.074 0.000 1.315 460 S CA -0.082 58.147 58.200 0.049 0.000 1.050 460 S CB 1.630 64.853 63.200 0.038 0.000 0.918 460 S HN 0.237 nan 8.310 nan 0.000 0.497 461 A N 3.995 126.854 122.820 0.064 0.000 2.308 461 A HA 0.598 4.919 4.320 0.003 0.000 0.217 461 A C 1.021 178.656 177.584 0.086 0.000 1.216 461 A CA 0.305 52.380 52.037 0.065 0.000 0.864 461 A CB -0.527 18.498 19.000 0.042 0.000 0.902 461 A HN 1.099 nan 8.150 nan 0.000 0.499 462 A N 0.394 123.277 122.820 0.105 0.000 2.498 462 A HA 0.474 4.796 4.320 0.003 0.000 0.239 462 A C 0.458 178.180 177.584 0.229 0.000 1.068 462 A CA 0.560 52.675 52.037 0.130 0.000 0.766 462 A CB -0.211 18.839 19.000 0.082 0.000 1.003 462 A HN 1.321 nan 8.150 nan 0.000 0.497 463 V N 0.057 120.095 119.914 0.207 0.000 3.074 463 V HA 0.777 4.899 4.120 0.003 0.000 0.314 463 V C 0.263 176.519 176.094 0.269 0.000 1.117 463 V CA -0.741 61.695 62.300 0.226 0.000 1.014 463 V CB 1.380 33.236 31.823 0.056 0.000 1.057 463 V HN 0.846 nan 8.190 nan 0.000 0.438 464 S N 2.224 118.101 115.700 0.295 0.000 2.584 464 S HA 0.529 5.001 4.470 0.003 0.000 0.270 464 S C -0.255 174.408 174.600 0.105 0.000 1.346 464 S CA -0.441 57.890 58.200 0.218 0.000 1.018 464 S CB 0.280 63.614 63.200 0.224 0.000 0.899 464 S HN 1.046 nan 8.310 nan 0.000 0.542 465 Q N -0.933 118.884 119.800 0.029 0.000 2.578 465 Q HA 0.596 4.938 4.340 0.003 0.000 0.284 465 Q C -2.095 173.901 176.000 -0.007 0.000 0.960 465 Q CA -0.982 54.829 55.803 0.013 0.000 0.809 465 Q CB 1.039 29.787 28.738 0.016 0.000 1.462 465 Q HN 0.363 nan 8.270 nan 0.000 0.392 466 V N 1.352 121.286 119.914 0.034 0.000 2.435 466 V HA 0.571 4.693 4.120 0.003 0.000 0.290 466 V C -0.438 175.709 176.094 0.088 0.000 1.030 466 V CA -0.597 61.740 62.300 0.062 0.000 0.881 466 V CB 1.609 33.477 31.823 0.075 0.000 0.983 466 V HN 0.617 nan 8.190 nan 0.000 0.445 467 V N 6.117 126.118 119.914 0.145 0.000 2.604 467 V HA 0.557 4.679 4.120 0.003 0.000 0.305 467 V C -0.262 176.014 176.094 0.303 0.000 1.043 467 V CA -0.536 61.898 62.300 0.223 0.000 0.888 467 V CB 1.786 33.772 31.823 0.271 0.000 0.995 467 V HN 0.637 nan 8.190 nan 0.000 0.429 468 L N 4.616 125.913 121.223 0.123 0.000 2.322 468 L HA 0.602 4.944 4.340 0.003 0.000 0.269 468 L C -2.480 174.005 176.870 -0.642 0.000 1.012 468 L CA -2.164 52.576 54.840 -0.166 0.000 0.815 468 L CB 2.100 44.078 42.059 -0.136 0.000 1.295 468 L HN 0.385 nan 8.230 nan 0.000 0.438 469 P HA 0.159 nan 4.420 nan 0.000 0.265 469 P C -1.215 175.626 177.300 -0.765 0.000 1.187 469 P CA 0.073 62.167 63.100 -1.677 0.000 0.766 469 P CB 0.672 31.721 31.700 -1.084 0.000 0.820 470 A N 2.643 125.103 122.820 -0.601 0.000 2.540 470 A HA 0.364 4.686 4.320 0.003 0.000 0.297 470 A C 0.215 177.713 177.584 -0.144 0.000 1.056 470 A CA -0.594 51.295 52.037 -0.246 0.000 0.700 470 A CB 1.251 20.178 19.000 -0.122 0.000 1.280 470 A HN 0.434 nan 8.150 nan 0.000 0.398 471 K N 0.479 120.814 120.400 -0.108 0.000 2.354 471 K HA 0.193 4.515 4.320 0.003 0.000 0.194 471 K C -0.069 176.490 176.600 -0.067 0.000 1.038 471 K CA 0.650 56.893 56.287 -0.073 0.000 1.052 471 K CB 0.719 33.176 32.500 -0.072 0.000 0.861 471 K HN 0.784 nan 8.250 nan 0.000 0.535 472 E N -0.308 119.854 120.200 -0.063 0.000 2.392 472 E HA 0.453 4.805 4.350 0.003 0.000 0.269 472 E C -0.229 176.340 176.600 -0.051 0.000 0.924 472 E CA -0.726 55.637 56.400 -0.062 0.000 0.784 472 E CB 2.022 31.691 29.700 -0.052 0.000 1.292 472 E HN 0.130 nan 8.360 nan 0.000 0.447 473 G N -0.104 108.663 108.800 -0.055 0.000 2.749 473 G HA2 -0.302 3.660 3.960 0.003 0.000 0.242 473 G HA3 -0.302 3.660 3.960 0.003 0.000 0.242 473 G C 0.708 175.583 174.900 -0.042 0.000 1.364 473 G CA -0.185 44.892 45.100 -0.039 0.000 0.888 473 G HN 0.559 nan 8.290 nan 0.000 0.566 474 V N 0.368 120.266 119.914 -0.026 0.000 2.568 474 V HA -0.114 4.008 4.120 0.003 0.000 0.253 474 V C 2.628 178.716 176.094 -0.011 0.000 1.072 474 V CA 3.329 65.603 62.300 -0.045 0.000 1.084 474 V CB -0.613 31.169 31.823 -0.068 0.000 0.676 474 V HN 0.754 nan 8.190 nan 0.000 0.469 475 E N 0.715 120.925 120.200 0.017 0.000 2.110 475 E HA -0.164 4.188 4.350 0.003 0.000 0.193 475 E C 2.397 179.039 176.600 0.070 0.000 0.988 475 E CA 1.585 58.013 56.400 0.046 0.000 0.804 475 E CB -0.396 29.317 29.700 0.023 0.000 0.745 475 E HN 0.841 nan 8.360 nan 0.000 0.458 476 S N -0.498 115.221 115.700 0.031 0.000 2.402 476 S HA -0.120 4.352 4.470 0.003 0.000 0.229 476 S C 2.004 176.656 174.600 0.086 0.000 1.021 476 S CA 1.396 59.632 58.200 0.059 0.000 0.974 476 S CB -0.511 62.676 63.200 -0.023 0.000 0.800 476 S HN 0.142 nan 8.310 nan 0.000 0.484 477 T N 2.688 117.261 114.554 0.031 0.000 2.812 477 T HA 0.185 4.537 4.350 0.003 0.000 0.264 477 T C 1.711 176.477 174.700 0.110 0.000 1.042 477 T CA 1.343 63.478 62.100 0.059 0.000 1.140 477 T CB -0.434 68.452 68.868 0.030 0.000 0.870 477 T HN 0.402 nan 8.240 nan 0.000 0.445 478 I N 0.292 120.925 120.570 0.105 0.000 2.226 478 I HA -0.167 4.005 4.170 0.003 0.000 0.245 478 I C 2.454 178.684 176.117 0.189 0.000 1.100 478 I CA 1.228 62.611 61.300 0.139 0.000 1.374 478 I CB -0.309 37.771 38.000 0.133 0.000 1.057 478 I HN 0.459 nan 8.210 nan 0.000 0.413 479 W N 1.618 122.926 121.300 0.012 0.000 2.381 479 W HA -0.240 4.422 4.660 0.003 0.000 0.301 479 W C 2.282 178.788 176.519 -0.022 0.000 1.205 479 W CA 0.986 58.322 57.345 -0.014 0.000 1.285 479 W CB -0.127 29.308 29.460 -0.042 0.000 1.133 479 W HN 0.149 nan 8.180 nan 0.000 0.521 480 L N 1.591 122.795 121.223 -0.032 0.000 2.046 480 L HA -0.186 4.155 4.340 0.003 0.000 0.208 480 L C 2.463 179.336 176.870 0.005 0.000 1.077 480 L CA 1.922 56.710 54.840 -0.087 0.000 0.747 480 L CB -1.165 40.942 42.059 0.079 0.000 0.896 480 L HN -0.022 nan 8.230 nan 0.000 0.432 481 L N -0.761 120.506 121.223 0.074 0.000 2.046 481 L HA -0.170 4.172 4.340 0.003 0.000 0.208 481 L C 2.693 179.530 176.870 -0.056 0.000 1.077 481 L CA 1.116 55.958 54.840 0.003 0.000 0.747 481 L CB -0.977 41.137 42.059 0.092 0.000 0.896 481 L HN 0.379 nan 8.230 nan 0.000 0.432 482 A N 0.307 123.116 122.820 -0.018 0.000 1.883 482 A HA -0.247 4.075 4.320 0.003 0.000 0.217 482 A C 2.328 179.778 177.584 -0.223 0.000 1.186 482 A CA 1.853 53.868 52.037 -0.038 0.000 0.624 482 A CB -0.402 18.518 19.000 -0.133 0.000 0.822 482 A HN 0.332 nan 8.150 nan 0.000 0.444 483 K N -0.432 119.638 120.400 -0.550 0.000 2.097 483 K HA -0.082 4.240 4.320 0.003 0.000 0.206 483 K C 2.318 178.813 176.600 -0.175 0.000 1.049 483 K CA 1.075 56.991 56.287 -0.619 0.000 0.933 483 K CB -0.344 31.510 32.500 -1.076 0.000 0.717 483 K HN 0.466 nan 8.250 nan 0.000 0.442 484 A N 0.851 123.582 122.820 -0.149 0.000 1.877 484 A HA -0.182 4.140 4.320 0.003 0.000 0.216 484 A C 1.896 179.358 177.584 -0.203 0.000 1.186 484 A CA 1.349 53.275 52.037 -0.185 0.000 0.620 484 A CB -0.799 17.935 19.000 -0.443 0.000 0.822 484 A HN 0.261 nan 8.150 nan 0.000 0.443 485 Y N -0.248 120.020 120.300 -0.053 0.000 2.224 485 Y HA -0.154 4.398 4.550 0.003 0.000 0.289 485 Y C 2.599 178.477 175.900 -0.036 0.000 1.146 485 Y CA 1.257 59.347 58.100 -0.016 0.000 1.182 485 Y CB -0.761 37.743 38.460 0.073 0.000 0.983 485 Y HN 0.095 nan 8.280 nan 0.000 0.524 486 V N -0.141 119.856 119.914 0.138 0.000 2.295 486 V HA -0.279 3.843 4.120 0.003 0.000 0.246 486 V C 2.200 178.358 176.094 0.107 0.000 1.049 486 V CA 1.430 63.819 62.300 0.149 0.000 1.024 486 V CB -0.554 31.431 31.823 0.272 0.000 0.648 486 V HN 0.328 nan 8.190 nan 0.000 0.447 487 I N -0.230 120.413 120.570 0.123 0.000 2.394 487 I HA -0.142 4.030 4.170 0.003 0.000 0.251 487 I C 2.448 178.565 176.117 0.000 0.000 1.136 487 I CA 1.259 62.608 61.300 0.082 0.000 1.425 487 I CB -1.166 36.900 38.000 0.109 0.000 1.079 487 I HN 0.168 nan 8.210 nan 0.000 0.425 488 V N 1.286 121.175 119.914 -0.041 0.000 2.295 488 V HA -0.284 3.838 4.120 0.003 0.000 0.246 488 V C 2.219 178.253 176.094 -0.100 0.000 1.049 488 V CA 1.893 64.160 62.300 -0.055 0.000 1.024 488 V CB -0.867 30.923 31.823 -0.055 0.000 0.648 488 V HN 0.476 nan 8.190 nan 0.000 0.447 489 N N -0.108 118.418 118.700 -0.290 0.000 2.069 489 N HA -0.251 4.491 4.740 0.003 0.000 0.191 489 N C 1.687 176.862 175.510 -0.558 0.000 1.031 489 N CA 1.751 54.341 53.050 -0.767 0.000 0.852 489 N CB -0.163 37.748 38.487 -0.960 0.000 1.018 489 N HN 0.554 nan 8.380 nan 0.000 0.423 490 D N 0.054 120.262 120.400 -0.321 0.000 2.117 490 D HA -0.044 4.598 4.640 0.003 0.000 0.197 490 D C 1.857 178.252 176.300 0.158 0.000 0.987 490 D CA 0.939 54.915 54.000 -0.041 0.000 0.829 490 D CB 0.139 41.029 40.800 0.150 0.000 0.961 490 D HN 0.010 nan 8.370 nan 0.000 0.460 491 S N -1.058 114.733 115.700 0.152 0.000 2.368 491 S HA -0.165 4.307 4.470 0.003 0.000 0.225 491 S C 2.201 177.058 174.600 0.429 0.000 1.030 491 S CA 0.873 59.249 58.200 0.293 0.000 0.999 491 S CB -0.354 62.987 63.200 0.235 0.000 0.844 491 S HN 0.487 nan 8.310 nan 0.000 0.459 492 C N 0.030 119.553 119.300 0.371 0.000 2.446 492 C HA -0.026 4.435 4.460 0.003 0.000 0.277 492 C C 2.332 177.468 174.990 0.244 0.000 1.275 492 C CA 0.310 59.538 59.018 0.350 0.000 1.727 492 C CB -1.303 26.699 27.740 0.437 0.000 2.010 492 C HN 0.687 nan 8.230 nan 0.000 0.486 493 Y N 0.514 120.925 120.300 0.186 0.000 2.200 493 Y HA -0.200 4.352 4.550 0.003 0.000 0.290 493 Y C 2.842 178.856 175.900 0.190 0.000 1.137 493 Y CA 2.197 60.405 58.100 0.179 0.000 1.163 493 Y CB -0.722 37.877 38.460 0.232 0.000 0.988 493 Y HN 0.500 nan 8.280 nan 0.000 0.518 494 H N -0.429 118.818 119.070 0.296 0.000 2.293 494 H HA -0.211 4.347 4.556 0.003 0.000 0.300 494 H C 2.062 177.469 175.328 0.131 0.000 1.082 494 H CA 2.049 58.225 56.048 0.213 0.000 1.308 494 H CB -0.092 29.785 29.762 0.192 0.000 1.375 494 H HN 0.360 nan 8.280 nan 0.000 0.495 495 Q N 0.799 120.582 119.800 -0.029 0.000 2.050 495 Q HA -0.050 4.292 4.340 0.003 0.000 0.202 495 Q C 2.690 178.577 176.000 -0.188 0.000 0.980 495 Q CA 1.665 57.361 55.803 -0.178 0.000 0.840 495 Q CB -0.313 28.169 28.738 -0.427 0.000 0.898 495 Q HN 0.571 nan 8.270 nan 0.000 0.424 496 L N -1.101 120.011 121.223 -0.184 0.000 2.162 496 L HA -0.029 4.313 4.340 0.003 0.000 0.205 496 L C 1.922 178.747 176.870 -0.075 0.000 1.086 496 L CA 0.469 55.235 54.840 -0.123 0.000 0.778 496 L CB -0.228 41.730 42.059 -0.167 0.000 0.928 496 L HN 0.273 nan 8.230 nan 0.000 0.446 497 M N -1.552 117.902 119.600 -0.244 0.000 2.962 497 M HA 0.117 4.599 4.480 0.003 0.000 0.242 497 M C 2.417 178.632 176.300 -0.141 0.000 1.396 497 M CA 0.853 55.967 55.300 -0.310 0.000 1.287 497 M CB -1.121 30.937 32.600 -0.904 0.000 1.168 497 M HN -0.093 nan 8.290 nan 0.000 0.557 498 S N 0.080 115.711 115.700 -0.114 0.000 2.383 498 S HA -0.169 4.303 4.470 0.003 0.000 0.229 498 S C 1.886 176.525 174.600 0.065 0.000 1.030 498 S CA 1.591 59.824 58.200 0.055 0.000 1.002 498 S CB -0.490 62.804 63.200 0.156 0.000 0.829 498 S HN 0.532 nan 8.310 nan 0.000 0.467 499 H N -1.199 117.761 119.070 -0.184 0.000 2.300 499 H HA 0.004 4.562 4.556 0.003 0.000 0.322 499 H C 2.168 177.538 175.328 0.070 0.000 1.088 499 H CA 0.436 56.428 56.048 -0.093 0.000 1.532 499 H CB -0.327 29.256 29.762 -0.299 0.000 1.488 499 H HN 0.453 nan 8.280 nan 0.000 0.607 500 W N 1.637 122.820 121.300 -0.194 0.000 2.329 500 W HA -0.260 4.402 4.660 0.003 0.000 0.324 500 W C 2.127 178.597 176.519 -0.082 0.000 1.222 500 W CA 1.554 58.759 57.345 -0.234 0.000 1.270 500 W CB -0.679 28.598 29.460 -0.305 0.000 1.167 500 W HN 0.371 nan 8.180 nan 0.000 0.467 501 L N 2.313 123.380 121.223 -0.260 0.000 1.976 501 L HA -0.255 4.087 4.340 0.003 0.000 0.209 501 L C 2.087 178.800 176.870 -0.261 0.000 1.071 501 L CA 2.510 57.139 54.840 -0.351 0.000 0.746 501 L CB -1.451 40.542 42.059 -0.110 0.000 0.890 501 L HN -0.093 nan 8.230 nan 0.000 0.432 502 N N -1.020 117.666 118.700 -0.024 0.000 2.309 502 N HA -0.115 4.626 4.740 0.003 0.000 0.182 502 N C 1.573 177.179 175.510 0.160 0.000 1.018 502 N CA 1.636 54.787 53.050 0.168 0.000 0.876 502 N CB -0.387 38.252 38.487 0.253 0.000 0.972 502 N HN 0.727 nan 8.380 nan 0.000 0.434 503 T N -2.511 112.084 114.554 0.068 0.000 3.480 503 T HA 0.081 4.433 4.350 0.003 0.000 0.229 503 T C 1.631 176.251 174.700 -0.132 0.000 0.944 503 T CA 0.089 62.228 62.100 0.067 0.000 1.388 503 T CB -0.438 68.559 68.868 0.216 0.000 1.180 503 T HN 0.033 nan 8.240 nan 0.000 0.414 504 H N 1.818 120.701 119.070 -0.311 0.000 2.252 504 H HA -0.078 4.480 4.556 0.003 0.000 0.292 504 H C 2.709 177.630 175.328 -0.677 0.000 1.082 504 H CA 2.155 57.876 56.048 -0.545 0.000 1.229 504 H CB -0.656 28.581 29.762 -0.874 0.000 1.353 504 H HN 0.576 nan 8.280 nan 0.000 0.488 505 A N 1.002 123.266 122.820 -0.927 0.000 1.898 505 A HA -0.000 4.322 4.320 0.003 0.000 0.216 505 A C 2.665 179.964 177.584 -0.475 0.000 1.181 505 A CA 1.492 53.081 52.037 -0.746 0.000 0.620 505 A CB -0.712 17.681 19.000 -1.011 0.000 0.819 505 A HN 0.466 nan 8.150 nan 0.000 0.442 506 A N -1.221 121.385 122.820 -0.355 0.000 1.969 506 A HA -0.059 4.263 4.320 0.003 0.000 0.218 506 A C 2.116 179.804 177.584 0.173 0.000 1.169 506 A CA 2.082 54.058 52.037 -0.101 0.000 0.635 506 A CB -0.402 18.639 19.000 0.067 0.000 0.810 506 A HN 0.513 nan 8.150 nan 0.000 0.445 507 M N -0.240 119.448 119.600 0.146 0.000 2.288 507 M HA 0.027 4.509 4.480 0.003 0.000 0.266 507 M C 1.727 178.081 176.300 0.090 0.000 1.072 507 M CA 1.759 57.236 55.300 0.295 0.000 1.132 507 M CB -0.454 32.272 32.600 0.211 0.000 1.386 507 M HN 0.555 nan 8.290 nan 0.000 0.432 508 E N -0.123 120.035 120.200 -0.071 0.000 2.097 508 E HA -0.206 4.146 4.350 0.003 0.000 0.196 508 E C -0.977 175.541 176.600 -0.136 0.000 1.000 508 E CA 1.659 57.998 56.400 -0.102 0.000 0.804 508 E CB -0.903 28.748 29.700 -0.081 0.000 0.740 508 E HN 0.343 nan 8.360 nan 0.000 0.454 509 P HA -0.142 nan 4.420 nan 0.000 0.218 509 P C 0.590 177.750 177.300 -0.232 0.000 1.148 509 P CA 1.183 64.115 63.100 -0.280 0.000 0.822 509 P CB -0.065 31.203 31.700 -0.719 0.000 0.784 510 F N -1.363 118.619 119.950 0.053 0.000 2.206 510 F HA -0.096 4.433 4.527 0.003 0.000 0.298 510 F C 2.303 178.070 175.800 -0.055 0.000 1.090 510 F CA 0.744 58.802 58.000 0.096 0.000 1.323 510 F CB -1.637 37.521 39.000 0.263 0.000 1.028 510 F HN -0.267 nan 8.300 nan 0.000 0.492 511 V N 0.598 120.371 119.914 -0.235 0.000 2.261 511 V HA -0.300 3.822 4.120 0.003 0.000 0.246 511 V C 2.366 178.457 176.094 -0.003 0.000 1.047 511 V CA 1.893 63.884 62.300 -0.515 0.000 1.015 511 V CB -0.712 30.882 31.823 -0.383 0.000 0.642 511 V HN 0.250 nan 8.190 nan 0.000 0.446 512 I N 0.653 121.235 120.570 0.019 0.000 2.127 512 I HA -0.280 3.892 4.170 0.003 0.000 0.241 512 I C 2.726 178.881 176.117 0.064 0.000 1.075 512 I CA 1.705 63.013 61.300 0.014 0.000 1.334 512 I CB -0.721 37.113 38.000 -0.277 0.000 1.040 512 I HN 0.291 nan 8.210 nan 0.000 0.405 513 A N 0.341 123.275 122.820 0.190 0.000 1.908 513 A HA -0.238 4.083 4.320 0.003 0.000 0.218 513 A C 2.389 180.321 177.584 0.580 0.000 1.181 513 A CA 2.623 54.884 52.037 0.374 0.000 0.627 513 A CB -1.207 17.925 19.000 0.221 0.000 0.818 513 A HN 0.430 nan 8.150 nan 0.000 0.445 514 T N -0.869 114.033 114.554 0.580 0.000 2.746 514 T HA -0.142 4.210 4.350 0.003 0.000 0.267 514 T C 1.779 176.541 174.700 0.104 0.000 1.039 514 T CA 1.551 63.897 62.100 0.411 0.000 1.142 514 T CB -0.454 68.622 68.868 0.346 0.000 0.866 514 T HN 0.642 nan 8.240 nan 0.000 0.444 515 H N 0.604 119.676 119.070 0.004 0.000 2.470 515 H HA 0.173 4.730 4.556 0.003 0.000 0.289 515 H C 2.482 177.701 175.328 -0.182 0.000 1.033 515 H CA 0.762 56.677 56.048 -0.222 0.000 1.331 515 H CB 0.144 29.265 29.762 -1.068 0.000 1.414 515 H HN 0.285 nan 8.280 nan 0.000 0.545 516 R N -0.327 120.164 120.500 -0.016 0.000 2.153 516 R HA -0.034 4.308 4.340 0.003 0.000 0.218 516 R C 1.147 177.250 176.300 -0.329 0.000 1.072 516 R CA 0.804 56.821 56.100 -0.139 0.000 0.990 516 R CB 0.267 30.489 30.300 -0.129 0.000 0.889 516 R HN 0.432 nan 8.270 nan 0.000 0.452 517 H N -1.436 117.736 119.070 0.170 0.000 3.255 517 H HA 0.257 4.815 4.556 0.003 0.000 0.256 517 H C -0.057 175.320 175.328 0.082 0.000 1.049 517 H CA 0.053 56.204 56.048 0.172 0.000 1.202 517 H CB 0.970 30.917 29.762 0.308 0.000 1.497 517 H HN -0.033 nan 8.280 nan 0.000 0.503 518 L N 1.851 123.128 121.223 0.090 0.000 2.287 518 L HA 0.268 4.610 4.340 0.003 0.000 0.287 518 L C 0.695 177.516 176.870 -0.082 0.000 1.022 518 L CA -0.528 54.253 54.840 -0.098 0.000 0.814 518 L CB 2.019 43.888 42.059 -0.316 0.000 1.217 518 L HN -0.021 nan 8.230 nan 0.000 0.420 519 S N 1.479 117.116 115.700 -0.106 0.000 2.584 519 S HA 0.067 4.539 4.470 0.003 0.000 0.270 519 S C 1.379 175.624 174.600 -0.593 0.000 1.346 519 S CA -0.469 57.571 58.200 -0.266 0.000 1.018 519 S CB 1.351 64.421 63.200 -0.216 0.000 0.899 519 S HN 0.469 nan 8.310 nan 0.000 0.542 520 V N 3.253 122.687 119.914 -0.801 0.000 2.867 520 V HA -0.068 4.054 4.120 0.003 0.000 0.260 520 V C 1.766 177.554 176.094 -0.510 0.000 1.099 520 V CA 1.631 63.286 62.300 -1.075 0.000 1.122 520 V CB -1.164 30.362 31.823 -0.494 0.000 0.708 520 V HN 0.785 nan 8.190 nan 0.000 0.490 521 L N -0.880 120.106 121.223 -0.396 0.000 2.418 521 L HA 0.163 4.505 4.340 0.003 0.000 0.218 521 L C 1.573 178.350 176.870 -0.155 0.000 1.125 521 L CA 0.279 54.969 54.840 -0.249 0.000 0.835 521 L CB -0.585 41.325 42.059 -0.249 0.000 0.953 521 L HN 0.380 nan 8.230 nan 0.000 0.454 522 H N 2.400 121.348 119.070 -0.203 0.000 2.886 522 H HA 0.017 4.574 4.556 0.003 0.000 0.329 522 H C -1.500 173.771 175.328 -0.095 0.000 1.044 522 H CA -1.310 54.663 56.048 -0.124 0.000 1.456 522 H CB 1.554 31.264 29.762 -0.087 0.000 1.464 522 H HN -0.073 nan 8.280 nan 0.000 0.573 523 P HA -0.158 nan 4.420 nan 0.000 0.217 523 P C 1.557 178.979 177.300 0.203 0.000 1.150 523 P CA 0.808 63.793 63.100 -0.191 0.000 0.832 523 P CB 0.497 31.604 31.700 -0.989 0.000 0.787 524 I N -1.588 119.183 120.570 0.335 0.000 2.546 524 I HA -0.174 3.998 4.170 0.003 0.000 0.255 524 I C 2.550 178.633 176.117 -0.057 0.000 1.163 524 I CA 0.835 62.185 61.300 0.084 0.000 1.457 524 I CB -1.745 36.190 38.000 -0.108 0.000 1.092 524 I HN -0.067 nan 8.210 nan 0.000 0.434 525 Y N 2.432 122.666 120.300 -0.111 0.000 2.184 525 Y HA -0.176 4.376 4.550 0.003 0.000 0.290 525 Y C 2.478 178.307 175.900 -0.118 0.000 1.129 525 Y CA 1.742 59.743 58.100 -0.165 0.000 1.144 525 Y CB -0.113 38.270 38.460 -0.128 0.000 0.995 525 Y HN 0.014 nan 8.280 nan 0.000 0.513 526 K N -0.299 120.245 120.400 0.240 0.000 2.147 526 K HA -0.163 4.159 4.320 0.003 0.000 0.205 526 K C 1.916 178.451 176.600 -0.109 0.000 1.049 526 K CA 1.438 57.824 56.287 0.165 0.000 0.936 526 K CB -0.353 32.365 32.500 0.363 0.000 0.722 526 K HN 0.312 nan 8.250 nan 0.000 0.446 527 L N 0.994 122.112 121.223 -0.175 0.000 2.072 527 L HA -0.087 4.255 4.340 0.003 0.000 0.205 527 L C 1.797 178.535 176.870 -0.221 0.000 1.079 527 L CA 1.500 56.124 54.840 -0.360 0.000 0.752 527 L CB -0.070 41.694 42.059 -0.491 0.000 0.906 527 L HN 0.079 nan 8.230 nan 0.000 0.436 528 L N -1.380 119.684 121.223 -0.265 0.000 2.168 528 L HA -0.042 4.299 4.340 0.003 0.000 0.203 528 L C 2.490 178.898 176.870 -0.769 0.000 1.078 528 L CA 1.113 55.740 54.840 -0.354 0.000 0.780 528 L CB -1.163 40.739 42.059 -0.261 0.000 0.939 528 L HN 0.386 nan 8.230 nan 0.000 0.451 529 T N -1.905 112.181 114.554 -0.781 0.000 2.778 529 T HA -0.134 4.217 4.350 0.003 0.000 0.269 529 T C -0.500 173.897 174.700 -0.505 0.000 1.050 529 T CA 1.017 62.668 62.100 -0.749 0.000 1.137 529 T CB -1.767 66.663 68.868 -0.731 0.000 0.860 529 T HN 0.164 nan 8.240 nan 0.000 0.468 530 P HA -0.066 nan 4.420 nan 0.000 0.220 530 P C 1.093 178.082 177.300 -0.519 0.000 1.148 530 P CA 0.973 63.785 63.100 -0.480 0.000 0.803 530 P CB -0.200 31.123 31.700 -0.627 0.000 0.782 531 H N -2.793 116.114 119.070 -0.271 0.000 2.543 531 H HA 0.100 4.658 4.556 0.003 0.000 0.269 531 H C 0.437 175.797 175.328 0.054 0.000 1.005 531 H CA 0.731 56.701 56.048 -0.130 0.000 1.146 531 H CB 0.008 29.698 29.762 -0.121 0.000 1.353 531 H HN 0.283 nan 8.280 nan 0.000 0.595 532 Y N -0.160 120.174 120.300 0.057 0.000 2.453 532 Y HA 0.182 4.733 4.550 0.003 0.000 0.247 532 Y C 1.340 177.272 175.900 0.053 0.000 1.124 532 Y CA -0.948 57.201 58.100 0.082 0.000 1.243 532 Y CB 0.113 38.646 38.460 0.121 0.000 1.213 532 Y HN -0.068 nan 8.280 nan 0.000 0.523 533 R N 2.462 123.051 120.500 0.148 0.000 2.526 533 R HA -0.175 4.167 4.340 0.003 0.000 0.319 533 R C 0.540 176.898 176.300 0.097 0.000 0.888 533 R CA 0.936 57.095 56.100 0.100 0.000 1.127 533 R CB -0.189 30.129 30.300 0.031 0.000 0.888 533 R HN 0.384 nan 8.270 nan 0.000 0.410 534 N N 1.585 120.346 118.700 0.102 0.000 2.936 534 N HA -0.309 4.433 4.740 0.003 0.000 0.236 534 N C 0.542 176.101 175.510 0.082 0.000 0.930 534 N CA 1.702 54.808 53.050 0.094 0.000 0.966 534 N CB -1.356 37.197 38.487 0.110 0.000 1.090 534 N HN 0.846 nan 8.380 nan 0.000 0.592 535 N N -0.561 118.183 118.700 0.074 0.000 2.039 535 N HA -0.094 4.648 4.740 0.003 0.000 0.193 535 N C 1.698 177.240 175.510 0.053 0.000 1.044 535 N CA 1.700 54.772 53.050 0.037 0.000 0.847 535 N CB -0.113 38.393 38.487 0.032 0.000 1.030 535 N HN 0.351 nan 8.380 nan 0.000 0.422 536 M N 0.272 119.896 119.600 0.040 0.000 2.159 536 M HA -0.155 4.327 4.480 0.003 0.000 0.263 536 M C 1.908 178.221 176.300 0.021 0.000 1.063 536 M CA 1.167 56.476 55.300 0.015 0.000 1.110 536 M CB -0.368 32.214 32.600 -0.029 0.000 1.374 536 M HN 0.250 nan 8.290 nan 0.000 0.411 537 N N 1.131 119.847 118.700 0.026 0.000 2.058 537 N HA -0.154 4.587 4.740 0.003 0.000 0.191 537 N C 1.449 176.999 175.510 0.068 0.000 1.037 537 N CA 1.307 54.375 53.050 0.029 0.000 0.848 537 N CB -0.198 38.315 38.487 0.042 0.000 1.021 537 N HN 0.210 nan 8.380 nan 0.000 0.422 538 I N 0.795 121.429 120.570 0.107 0.000 2.286 538 I HA -0.183 3.989 4.170 0.003 0.000 0.248 538 I C 1.402 177.631 176.117 0.187 0.000 1.115 538 I CA 1.249 62.639 61.300 0.149 0.000 1.392 538 I CB -0.475 37.653 38.000 0.213 0.000 1.065 538 I HN 0.158 nan 8.210 nan 0.000 0.418 539 N N 0.953 119.786 118.700 0.222 0.000 2.142 539 N HA -0.071 4.671 4.740 0.003 0.000 0.186 539 N C 1.904 177.541 175.510 0.213 0.000 1.023 539 N CA 1.606 54.842 53.050 0.310 0.000 0.852 539 N CB -0.595 38.048 38.487 0.260 0.000 0.998 539 N HN 0.491 nan 8.380 nan 0.000 0.424 540 A N 0.707 123.601 122.820 0.123 0.000 1.902 540 A HA -0.042 4.280 4.320 0.003 0.000 0.217 540 A C 2.231 179.807 177.584 -0.014 0.000 1.181 540 A CA 0.964 53.070 52.037 0.115 0.000 0.623 540 A CB -0.772 18.290 19.000 0.104 0.000 0.818 540 A HN 0.237 nan 8.150 nan 0.000 0.443 541 L N -0.822 120.380 121.223 -0.036 0.000 2.201 541 L HA -0.164 4.177 4.340 0.003 0.000 0.212 541 L C 3.010 179.777 176.870 -0.171 0.000 1.105 541 L CA 0.855 55.617 54.840 -0.130 0.000 0.775 541 L CB -0.445 41.581 42.059 -0.055 0.000 0.913 541 L HN 0.444 nan 8.230 nan 0.000 0.440 542 A N 0.134 122.903 122.820 -0.084 0.000 1.873 542 A HA -0.159 4.163 4.320 0.003 0.000 0.215 542 A C 2.381 179.823 177.584 -0.237 0.000 1.186 542 A CA 1.130 53.073 52.037 -0.157 0.000 0.616 542 A CB -0.387 18.561 19.000 -0.087 0.000 0.823 542 A HN 0.290 nan 8.150 nan 0.000 0.442 543 R N -0.681 119.743 120.500 -0.128 0.000 2.152 543 R HA -0.171 4.171 4.340 0.003 0.000 0.232 543 R C 2.401 178.550 176.300 -0.251 0.000 1.117 543 R CA 1.563 57.620 56.100 -0.071 0.000 0.981 543 R CB -0.244 30.156 30.300 0.165 0.000 0.870 543 R HN 0.797 nan 8.270 nan 0.000 0.451 544 Q N -0.381 119.034 119.800 -0.640 0.000 2.163 544 Q HA -0.005 4.336 4.340 0.003 0.000 0.198 544 Q C 0.910 176.646 176.000 -0.441 0.000 0.954 544 Q CA 1.228 56.462 55.803 -0.947 0.000 0.851 544 Q CB 0.478 28.311 28.738 -1.509 0.000 0.928 544 Q HN 0.140 nan 8.270 nan 0.000 0.459 545 S N -0.757 114.747 115.700 -0.326 0.000 2.628 545 S HA 0.113 4.585 4.470 0.003 0.000 0.246 545 S C 1.025 175.517 174.600 -0.180 0.000 1.062 545 S CA -0.304 57.768 58.200 -0.214 0.000 1.028 545 S CB 0.530 63.626 63.200 -0.174 0.000 0.985 545 S HN 0.229 nan 8.310 nan 0.000 0.551 546 L N 1.952 123.043 121.223 -0.221 0.000 2.262 546 L HA 0.479 4.821 4.340 0.003 0.000 0.197 546 L C 1.327 178.019 176.870 -0.297 0.000 1.073 546 L CA 1.169 55.869 54.840 -0.234 0.000 0.800 546 L CB -0.048 41.853 42.059 -0.264 0.000 0.987 546 L HN 0.392 nan 8.230 nan 0.000 0.470 547 I N -1.453 118.886 120.570 -0.384 0.000 3.941 547 I HA 0.239 4.411 4.170 0.003 0.000 0.335 547 I C 0.185 176.136 176.117 -0.276 0.000 1.402 547 I CA -0.591 60.457 61.300 -0.420 0.000 1.112 547 I CB -0.629 36.945 38.000 -0.709 0.000 1.043 547 I HN 0.189 nan 8.210 nan 0.000 0.395 548 N N 2.523 121.099 118.700 -0.206 0.000 2.381 548 N HA 0.210 4.952 4.740 0.003 0.000 0.254 548 N C 0.139 175.573 175.510 -0.128 0.000 1.264 548 N CA -0.125 52.843 53.050 -0.136 0.000 0.942 548 N CB 0.867 39.285 38.487 -0.115 0.000 1.190 548 N HN 0.181 nan 8.380 nan 0.000 0.495 549 A N 0.754 123.514 122.820 -0.101 0.000 2.545 549 A HA 0.088 4.410 4.320 0.003 0.000 0.253 549 A C 0.530 178.062 177.584 -0.087 0.000 1.074 549 A CA 0.051 52.028 52.037 -0.099 0.000 0.760 549 A CB -1.234 17.716 19.000 -0.084 0.000 1.005 549 A HN 0.877 nan 8.150 nan 0.000 0.506 550 N N -0.002 118.644 118.700 -0.090 0.000 2.782 550 N HA -0.155 4.587 4.740 0.003 0.000 0.251 550 N C 0.603 176.070 175.510 -0.071 0.000 1.101 550 N CA 1.477 54.483 53.050 -0.073 0.000 0.764 550 N CB -1.298 37.152 38.487 -0.061 0.000 1.122 550 N HN 1.147 nan 8.380 nan 0.000 0.561 551 G N -0.400 108.347 108.800 -0.089 0.000 2.516 551 G HA2 0.424 4.386 3.960 0.003 0.000 0.276 551 G HA3 0.424 4.386 3.960 0.003 0.000 0.276 551 G C 1.403 176.263 174.900 -0.067 0.000 1.390 551 G CA -0.102 44.942 45.100 -0.093 0.000 1.050 551 G HN 0.173 nan 8.290 nan 0.000 0.519 552 I N -0.111 120.422 120.570 -0.062 0.000 2.179 552 I HA -0.150 4.022 4.170 0.003 0.000 0.242 552 I C 2.507 178.643 176.117 0.032 0.000 1.088 552 I CA 0.733 62.028 61.300 -0.009 0.000 1.357 552 I CB -0.214 37.789 38.000 0.005 0.000 1.051 552 I HN 0.242 nan 8.210 nan 0.000 0.409 553 I N 0.796 121.351 120.570 -0.026 0.000 2.202 553 I HA -0.233 3.939 4.170 0.003 0.000 0.242 553 I C 2.475 178.630 176.117 0.064 0.000 1.091 553 I CA 1.622 62.928 61.300 0.011 0.000 1.368 553 I CB -1.353 36.509 38.000 -0.229 0.000 1.058 553 I HN 0.325 nan 8.210 nan 0.000 0.410 554 E N 0.365 120.545 120.200 -0.033 0.000 2.153 554 E HA -0.189 4.162 4.350 0.003 0.000 0.194 554 E C 1.890 178.490 176.600 0.000 0.000 0.988 554 E CA 1.857 58.239 56.400 -0.031 0.000 0.811 554 E CB -0.104 29.545 29.700 -0.086 0.000 0.746 554 E HN 0.605 nan 8.360 nan 0.000 0.466 555 T N -2.376 112.181 114.554 0.005 0.000 3.081 555 T HA 0.017 4.369 4.350 0.003 0.000 0.250 555 T C 1.728 176.430 174.700 0.002 0.000 1.100 555 T CA 0.992 63.088 62.100 -0.006 0.000 1.038 555 T CB 0.180 69.035 68.868 -0.022 0.000 0.962 555 T HN 0.145 nan 8.240 nan 0.000 0.516 556 T N -2.262 112.327 114.554 0.058 0.000 2.958 556 T HA 0.425 4.777 4.350 0.003 0.000 0.256 556 T C -0.025 174.601 174.700 -0.123 0.000 0.983 556 T CA -0.537 61.554 62.100 -0.015 0.000 0.924 556 T CB -0.155 68.715 68.868 0.003 0.000 1.136 556 T HN 0.220 nan 8.240 nan 0.000 0.506 557 F N 1.156 121.092 119.950 -0.022 0.000 2.432 557 F HA 0.577 5.105 4.527 0.003 0.000 0.329 557 F C 1.253 177.057 175.800 0.008 0.000 1.076 557 F CA -1.964 56.034 58.000 -0.003 0.000 1.018 557 F CB 1.534 40.535 39.000 0.002 0.000 1.201 557 F HN -0.109 nan 8.300 nan 0.000 0.489 558 L N 4.312 125.636 121.223 0.167 0.000 2.010 558 L HA -0.173 4.169 4.340 0.003 0.000 0.219 558 L C -1.026 175.943 176.870 0.164 0.000 1.077 558 L CA 2.357 57.281 54.840 0.138 0.000 0.773 558 L CB -1.407 40.745 42.059 0.156 0.000 0.892 558 L HN 0.469 nan 8.230 nan 0.000 0.436 559 P HA -0.056 nan 4.420 nan 0.000 0.230 559 P C 0.974 178.358 177.300 0.141 0.000 1.158 559 P CA 1.036 64.250 63.100 0.189 0.000 0.769 559 P CB 0.105 31.876 31.700 0.118 0.000 0.807 560 S N 0.561 116.304 115.700 0.072 0.000 4.054 560 S HA -0.311 4.160 4.470 0.003 0.000 0.618 560 S C 1.581 176.115 174.600 -0.109 0.000 2.026 560 S CA 2.261 60.451 58.200 -0.017 0.000 4.205 560 S CB -1.638 61.544 63.200 -0.030 0.000 0.233 560 S HN 0.398 nan 8.310 nan 0.000 0.612 561 K N 0.521 120.771 120.400 -0.249 0.000 2.442 561 K HA -0.086 4.236 4.320 0.003 0.000 0.198 561 K C 1.391 177.778 176.600 -0.354 0.000 1.044 561 K CA 2.106 58.188 56.287 -0.342 0.000 0.948 561 K CB -0.416 31.825 32.500 -0.431 0.000 0.762 561 K HN 0.650 nan 8.250 nan 0.000 0.472 562 Y N 1.354 121.635 120.300 -0.032 0.000 2.466 562 Y HA 0.199 4.751 4.550 0.003 0.000 0.272 562 Y C 2.162 177.967 175.900 -0.158 0.000 1.169 562 Y CA -0.341 57.736 58.100 -0.038 0.000 1.285 562 Y CB 0.300 38.800 38.460 0.067 0.000 1.078 562 Y HN 0.048 nan 8.280 nan 0.000 0.523 563 S N 0.153 115.824 115.700 -0.048 0.000 2.365 563 S HA -0.202 4.270 4.470 0.003 0.000 0.221 563 S C 2.197 176.680 174.600 -0.195 0.000 1.037 563 S CA 2.044 60.167 58.200 -0.129 0.000 1.060 563 S CB -0.761 62.357 63.200 -0.137 0.000 0.974 563 S HN 0.271 nan 8.310 nan 0.000 0.427 564 V N 2.917 122.694 119.914 -0.228 0.000 2.407 564 V HA -0.200 3.922 4.120 0.003 0.000 0.248 564 V C 2.495 178.425 176.094 -0.273 0.000 1.055 564 V CA 2.047 64.177 62.300 -0.284 0.000 1.049 564 V CB -1.145 30.459 31.823 -0.364 0.000 0.662 564 V HN 0.707 nan 8.190 nan 0.000 0.455 565 E N 0.215 120.283 120.200 -0.220 0.000 2.204 565 E HA -0.221 4.131 4.350 0.003 0.000 0.194 565 E C 2.144 178.737 176.600 -0.011 0.000 0.989 565 E CA 1.354 57.675 56.400 -0.131 0.000 0.824 565 E CB -0.423 29.245 29.700 -0.052 0.000 0.756 565 E HN 0.509 nan 8.360 nan 0.000 0.477 566 M N 1.742 121.217 119.600 -0.209 0.000 2.159 566 M HA -0.155 4.327 4.480 0.003 0.000 0.263 566 M C 2.567 178.802 176.300 -0.109 0.000 1.063 566 M CA 1.992 57.061 55.300 -0.384 0.000 1.110 566 M CB -0.340 31.879 32.600 -0.634 0.000 1.374 566 M HN 0.315 nan 8.290 nan 0.000 0.411 567 S N -1.070 114.600 115.700 -0.050 0.000 2.423 567 S HA -0.110 4.362 4.470 0.003 0.000 0.231 567 S C 1.907 176.684 174.600 0.295 0.000 1.014 567 S CA 1.447 59.707 58.200 0.101 0.000 0.965 567 S CB -0.445 62.856 63.200 0.169 0.000 0.785 567 S HN 0.461 nan 8.310 nan 0.000 0.495 568 S N 1.791 117.649 115.700 0.263 0.000 2.387 568 S HA 0.120 4.592 4.470 0.003 0.000 0.226 568 S C 2.130 176.971 174.600 0.403 0.000 1.026 568 S CA 0.983 59.438 58.200 0.425 0.000 0.972 568 S CB -0.854 62.525 63.200 0.299 0.000 0.814 568 S HN 0.768 nan 8.310 nan 0.000 0.477 569 A N 0.938 123.943 122.820 0.308 0.000 1.902 569 A HA -0.007 4.315 4.320 0.003 0.000 0.217 569 A C 2.328 180.058 177.584 0.244 0.000 1.181 569 A CA 1.839 54.036 52.037 0.267 0.000 0.623 569 A CB -1.084 18.092 19.000 0.294 0.000 0.818 569 A HN 0.461 nan 8.150 nan 0.000 0.443 570 V N -1.462 118.589 119.914 0.229 0.000 2.427 570 V HA -0.252 3.870 4.120 0.003 0.000 0.248 570 V C 2.348 178.617 176.094 0.292 0.000 1.051 570 V CA 1.933 64.373 62.300 0.233 0.000 1.048 570 V CB -1.001 30.927 31.823 0.174 0.000 0.666 570 V HN 0.723 nan 8.190 nan 0.000 0.456 571 Y N 1.427 121.844 120.300 0.195 0.000 2.384 571 Y HA -0.214 4.338 4.550 0.003 0.000 0.289 571 Y C 2.300 178.359 175.900 0.265 0.000 1.152 571 Y CA 1.398 59.618 58.100 0.200 0.000 1.258 571 Y CB -0.320 38.208 38.460 0.113 0.000 0.979 571 Y HN 0.225 nan 8.280 nan 0.000 0.549 572 K N -0.099 120.413 120.400 0.187 0.000 2.211 572 K HA -0.194 4.128 4.320 0.003 0.000 0.204 572 K C 0.873 177.522 176.600 0.082 0.000 1.047 572 K CA 1.772 58.122 56.287 0.104 0.000 0.935 572 K CB -0.263 32.322 32.500 0.141 0.000 0.728 572 K HN 0.491 nan 8.250 nan 0.000 0.452 573 N N -0.873 117.895 118.700 0.114 0.000 2.204 573 N HA 0.021 4.763 4.740 0.003 0.000 0.219 573 N C -0.806 174.738 175.510 0.058 0.000 1.151 573 N CA -0.492 52.611 53.050 0.090 0.000 0.867 573 N CB 0.332 38.876 38.487 0.094 0.000 1.043 573 N HN 0.176 nan 8.380 nan 0.000 0.516 574 W N 1.940 123.156 121.300 -0.140 0.000 2.253 574 W HA 0.337 4.999 4.660 0.004 0.000 0.322 574 W C -0.845 175.431 176.519 -0.405 0.000 1.342 574 W CA -0.130 57.108 57.345 -0.177 0.000 1.218 574 W CB 0.527 29.948 29.460 -0.064 0.000 1.205 574 W HN -0.340 nan 8.180 nan 0.000 0.551 575 V N 9.726 128.927 119.914 -1.188 0.000 2.443 575 V HA 0.080 4.202 4.120 0.003 0.000 0.293 575 V C 0.524 175.451 176.094 -1.944 0.000 1.021 575 V CA -0.852 60.294 62.300 -1.924 0.000 0.848 575 V CB 0.885 31.791 31.823 -1.528 0.000 0.998 575 V HN 0.728 nan 8.190 nan 0.000 0.424 576 F N 4.360 122.985 119.950 -2.207 0.000 2.091 576 F HA -0.243 4.287 4.527 0.004 0.000 0.299 576 F C 2.503 177.900 175.800 -0.672 0.000 1.103 576 F CA 2.842 60.083 58.000 -1.266 0.000 1.228 576 F CB -0.129 38.549 39.000 -0.536 0.000 0.984 576 F HN 0.639 nan 8.300 nan 0.000 0.477 577 T N -2.937 111.238 114.554 -0.633 0.000 2.962 577 T HA -0.134 4.218 4.350 0.003 0.000 0.270 577 T C 1.408 175.818 174.700 -0.484 0.000 1.088 577 T CA 1.276 63.107 62.100 -0.448 0.000 1.127 577 T CB -0.516 68.251 68.868 -0.169 0.000 0.883 577 T HN 0.205 nan 8.240 nan 0.000 0.493 578 D N 0.975 121.012 120.400 -0.605 0.000 2.349 578 D HA 0.033 4.675 4.640 0.003 0.000 0.224 578 D C 1.973 178.027 176.300 -0.410 0.000 1.029 578 D CA 0.279 53.995 54.000 -0.474 0.000 0.879 578 D CB -0.002 40.511 40.800 -0.479 0.000 0.906 578 D HN 0.363 nan 8.370 nan 0.000 0.528 579 Q N 0.214 119.737 119.800 -0.462 0.000 2.389 579 Q HA 0.138 4.480 4.340 0.003 0.000 0.204 579 Q C 0.660 176.549 176.000 -0.185 0.000 0.944 579 Q CA 0.062 55.719 55.803 -0.243 0.000 0.908 579 Q CB -0.121 28.487 28.738 -0.217 0.000 1.002 579 Q HN 0.142 nan 8.270 nan 0.000 0.493 580 A N 1.250 123.855 122.820 -0.357 0.000 2.511 580 A HA 0.079 4.401 4.320 0.003 0.000 0.242 580 A C 1.230 178.229 177.584 -0.975 0.000 1.069 580 A CA -0.256 51.420 52.037 -0.602 0.000 0.763 580 A CB 0.172 18.940 19.000 -0.387 0.000 1.001 580 A HN 0.253 nan 8.150 nan 0.000 0.498 581 L N 4.234 124.391 121.223 -1.777 0.000 1.990 581 L HA -0.076 4.266 4.340 0.003 0.000 0.213 581 L C -0.743 175.556 176.870 -0.951 0.000 1.072 581 L CA 2.647 56.684 54.840 -1.339 0.000 0.755 581 L CB -1.373 39.655 42.059 -1.720 0.000 0.889 581 L HN 0.536 nan 8.230 nan 0.000 0.432 582 P HA -0.152 nan 4.420 nan 0.000 0.215 582 P C 1.544 178.601 177.300 -0.405 0.000 1.153 582 P CA 2.072 64.811 63.100 -0.601 0.000 0.853 582 P CB -0.201 31.198 31.700 -0.502 0.000 0.788 583 A N -0.310 122.263 122.820 -0.411 0.000 1.933 583 A HA -0.241 4.081 4.320 0.003 0.000 0.218 583 A C 2.176 179.609 177.584 -0.251 0.000 1.175 583 A CA 2.176 54.040 52.037 -0.287 0.000 0.628 583 A CB -1.591 17.238 19.000 -0.285 0.000 0.814 583 A HN 0.180 nan 8.150 nan 0.000 0.444 584 D N -0.067 120.163 120.400 -0.283 0.000 2.097 584 D HA -0.125 4.516 4.640 0.003 0.000 0.195 584 D C 1.822 178.047 176.300 -0.124 0.000 0.989 584 D CA 1.373 55.265 54.000 -0.181 0.000 0.827 584 D CB -0.240 40.476 40.800 -0.140 0.000 0.966 584 D HN 0.409 nan 8.370 nan 0.000 0.456 585 L N 0.028 121.151 121.223 -0.166 0.000 2.046 585 L HA -0.127 4.215 4.340 0.003 0.000 0.208 585 L C 2.632 179.461 176.870 -0.068 0.000 1.077 585 L CA 0.801 55.577 54.840 -0.106 0.000 0.747 585 L CB -0.411 41.539 42.059 -0.181 0.000 0.896 585 L HN 0.177 nan 8.230 nan 0.000 0.432 586 I N -0.274 120.232 120.570 -0.106 0.000 2.252 586 I HA -0.284 3.888 4.170 0.003 0.000 0.245 586 I C 2.720 178.802 176.117 -0.059 0.000 1.102 586 I CA 1.220 62.475 61.300 -0.076 0.000 1.385 586 I CB -0.282 37.661 38.000 -0.095 0.000 1.064 586 I HN 0.228 nan 8.210 nan 0.000 0.414 587 K N 1.326 121.678 120.400 -0.080 0.000 2.063 587 K HA -0.162 4.160 4.320 0.003 0.000 0.208 587 K C 2.066 178.645 176.600 -0.035 0.000 1.048 587 K CA 1.464 57.709 56.287 -0.069 0.000 0.928 587 K CB -0.013 32.426 32.500 -0.102 0.000 0.713 587 K HN 0.217 nan 8.250 nan 0.000 0.442 588 R N -0.673 119.818 120.500 -0.015 0.000 2.323 588 R HA 0.021 4.363 4.340 0.003 0.000 0.198 588 R C 0.760 177.091 176.300 0.051 0.000 0.988 588 R CA 0.557 56.670 56.100 0.020 0.000 1.041 588 R CB 0.141 30.470 30.300 0.047 0.000 0.926 588 R HN 0.516 nan 8.270 nan 0.000 0.476 589 G N 1.124 109.946 108.800 0.037 0.000 2.198 589 G HA2 -0.271 3.691 3.960 0.003 0.000 0.260 589 G HA3 -0.271 3.691 3.960 0.003 0.000 0.260 589 G C 0.595 175.582 174.900 0.145 0.000 1.025 589 G CA 0.486 45.618 45.100 0.055 0.000 0.769 589 G HN 0.347 nan 8.290 nan 0.000 0.507 590 V N -4.328 115.682 119.914 0.160 0.000 3.578 590 V HA 0.817 4.939 4.120 0.003 0.000 0.290 590 V C 0.814 176.998 176.094 0.151 0.000 1.376 590 V CA 0.870 63.313 62.300 0.239 0.000 1.083 590 V CB 0.136 32.116 31.823 0.260 0.000 0.911 590 V HN 1.962 nan 8.190 nan 0.000 0.433 591 A N 1.137 124.001 122.820 0.073 0.000 2.604 591 A HA 0.872 5.194 4.320 0.003 0.000 0.295 591 A C -1.173 176.412 177.584 0.001 0.000 1.067 591 A CA -0.493 51.556 52.037 0.021 0.000 0.683 591 A CB 1.836 20.813 19.000 -0.038 0.000 1.281 591 A HN 0.907 nan 8.150 nan 0.000 0.407 592 I N -1.611 118.956 120.570 -0.005 0.000 2.740 592 I HA 0.670 4.842 4.170 0.003 0.000 0.303 592 I C -0.145 175.957 176.117 -0.024 0.000 1.044 592 I CA -0.879 60.413 61.300 -0.013 0.000 1.064 592 I CB 1.791 39.789 38.000 -0.003 0.000 1.249 592 I HN 0.627 nan 8.210 nan 0.000 0.433 593 K N 2.217 122.601 120.400 -0.028 0.000 2.416 593 K HA 0.146 4.468 4.320 0.003 0.000 0.283 593 K C -1.091 175.498 176.600 -0.018 0.000 1.037 593 K CA 0.322 56.592 56.287 -0.029 0.000 0.995 593 K CB 0.280 32.762 32.500 -0.029 0.000 0.938 593 K HN 0.801 nan 8.250 nan 0.000 0.475 594 D N 5.653 126.044 120.400 -0.016 0.000 2.375 594 D HA 0.239 4.881 4.640 0.003 0.000 0.241 594 D C -2.245 174.049 176.300 -0.010 0.000 1.361 594 D CA -2.131 51.863 54.000 -0.010 0.000 0.995 594 D CB 1.866 42.661 40.800 -0.007 0.000 1.312 594 D HN 0.227 nan 8.370 nan 0.000 0.576 595 P HA -0.100 nan 4.420 nan 0.000 0.220 595 P C 1.162 178.455 177.300 -0.012 0.000 1.148 595 P CA 0.887 63.981 63.100 -0.009 0.000 0.803 595 P CB 0.242 31.938 31.700 -0.007 0.000 0.782 596 S N -2.175 113.518 115.700 -0.012 0.000 2.561 596 S HA -0.013 4.459 4.470 0.003 0.000 0.225 596 S C 0.954 175.539 174.600 -0.024 0.000 0.977 596 S CA 0.357 58.548 58.200 -0.016 0.000 0.926 596 S CB -1.555 61.638 63.200 -0.012 0.000 0.769 596 S HN 0.223 nan 8.310 nan 0.000 0.533 597 T N -0.815 113.723 114.554 -0.025 0.000 2.918 597 T HA 0.497 4.849 4.350 0.003 0.000 0.283 597 T C -2.025 172.630 174.700 -0.074 0.000 1.001 597 T CA -1.790 60.285 62.100 -0.041 0.000 1.041 597 T CB 0.875 69.730 68.868 -0.021 0.000 1.028 597 T HN -0.125 nan 8.240 nan 0.000 0.511 598 P HA -0.107 nan 4.420 nan 0.000 0.215 598 P C 1.168 178.316 177.300 -0.253 0.000 1.157 598 P CA 1.177 64.123 63.100 -0.257 0.000 0.868 598 P CB -0.013 31.417 31.700 -0.450 0.000 0.788 599 H N -2.225 116.842 119.070 -0.005 0.000 2.539 599 H HA 0.274 4.832 4.556 0.003 0.000 0.267 599 H C 1.581 176.896 175.328 -0.022 0.000 0.982 599 H CA 1.053 57.099 56.048 -0.004 0.000 1.146 599 H CB -0.248 29.495 29.762 -0.032 0.000 1.382 599 H HN 0.196 nan 8.280 nan 0.000 0.577 600 G N 0.948 109.777 108.800 0.048 0.000 2.179 600 G HA2 -0.291 3.671 3.960 0.003 0.000 0.260 600 G HA3 -0.291 3.671 3.960 0.003 0.000 0.260 600 G C 0.424 175.323 174.900 -0.002 0.000 0.977 600 G CA 0.590 45.700 45.100 0.017 0.000 0.641 600 G HN 0.527 nan 8.290 nan 0.000 0.533 601 V N -3.312 116.605 119.914 0.006 0.000 3.007 601 V HA 0.897 5.019 4.120 0.003 0.000 0.311 601 V C -0.298 175.793 176.094 -0.005 0.000 1.120 601 V CA -1.032 61.255 62.300 -0.022 0.000 0.980 601 V CB 2.007 33.786 31.823 -0.073 0.000 1.033 601 V HN 0.610 nan 8.190 nan 0.000 0.429 602 R N 2.940 123.434 120.500 -0.010 0.000 2.343 602 R HA 0.678 5.019 4.340 0.003 0.000 0.320 602 R C -1.195 175.108 176.300 0.004 0.000 0.956 602 R CA -0.772 55.329 56.100 0.002 0.000 0.836 602 R CB 1.455 31.758 30.300 0.005 0.000 1.151 602 R HN 0.925 nan 8.270 nan 0.000 0.450 603 L N 6.032 127.259 121.223 0.007 0.000 2.367 603 L HA 0.127 4.469 4.340 0.003 0.000 0.275 603 L C 1.260 178.161 176.870 0.052 0.000 1.129 603 L CA -0.213 54.639 54.840 0.021 0.000 0.839 603 L CB 1.066 43.130 42.059 0.008 0.000 1.133 603 L HN 0.727 nan 8.230 nan 0.000 0.453 604 L N 4.259 125.538 121.223 0.093 0.000 2.492 604 L HA 0.127 4.469 4.340 0.003 0.000 0.223 604 L C 0.444 177.377 176.870 0.105 0.000 1.132 604 L CA 0.745 55.666 54.840 0.135 0.000 0.850 604 L CB 0.071 42.276 42.059 0.243 0.000 0.966 604 L HN 0.532 nan 8.230 nan 0.000 0.454 605 I N 0.124 120.714 120.570 0.034 0.000 2.464 605 I HA 0.023 4.195 4.170 0.003 0.000 0.277 605 I C 1.190 177.318 176.117 0.017 0.000 1.040 605 I CA -0.204 61.058 61.300 -0.065 0.000 1.153 605 I CB 1.576 39.422 38.000 -0.257 0.000 1.274 605 I HN 0.124 nan 8.210 nan 0.000 0.469 606 E N 2.898 123.102 120.200 0.006 0.000 2.118 606 E HA -0.243 4.109 4.350 0.003 0.000 0.195 606 E C 0.462 177.077 176.600 0.025 0.000 0.992 606 E CA 1.202 57.613 56.400 0.018 0.000 0.804 606 E CB 0.100 29.807 29.700 0.012 0.000 0.741 606 E HN 0.478 nan 8.360 nan 0.000 0.458 607 D N 0.095 120.504 120.400 0.015 0.000 2.970 607 D HA -0.002 4.640 4.640 0.003 0.000 0.282 607 D C -1.567 174.757 176.300 0.040 0.000 1.291 607 D CA -0.655 53.359 54.000 0.022 0.000 0.967 607 D CB -0.329 40.474 40.800 0.007 0.000 1.017 607 D HN 0.150 nan 8.370 nan 0.000 0.512 608 Y N 2.038 122.274 120.300 -0.106 0.000 2.700 608 Y HA 0.379 4.930 4.550 0.002 0.000 0.333 608 Y C -1.879 173.939 175.900 -0.136 0.000 1.036 608 Y CA -3.044 54.975 58.100 -0.134 0.000 1.287 608 Y CB 1.039 39.420 38.460 -0.131 0.000 1.132 608 Y HN 0.097 nan 8.280 nan 0.000 0.510 609 P HA -0.301 nan 4.420 nan 0.000 0.215 609 P C 1.342 178.531 177.300 -0.186 0.000 1.163 609 P CA 2.006 65.005 63.100 -0.169 0.000 0.894 609 P CB -0.136 31.272 31.700 -0.487 0.000 0.791 610 Y N 0.611 120.737 120.300 -0.289 0.000 2.097 610 Y HA -0.242 4.310 4.550 0.003 0.000 0.282 610 Y C 2.361 178.175 175.900 -0.143 0.000 1.152 610 Y CA 1.901 59.958 58.100 -0.072 0.000 1.136 610 Y CB -1.203 37.294 38.460 0.061 0.000 0.975 610 Y HN -0.108 nan 8.280 nan 0.000 0.498 611 A N 0.613 122.951 122.820 -0.804 0.000 1.898 611 A HA -0.043 4.278 4.320 0.003 0.000 0.216 611 A C 2.446 179.714 177.584 -0.527 0.000 1.181 611 A CA 1.958 53.448 52.037 -0.911 0.000 0.620 611 A CB -1.538 16.736 19.000 -1.210 0.000 0.819 611 A HN 0.657 nan 8.150 nan 0.000 0.442 612 A N 0.041 122.666 122.820 -0.326 0.000 1.898 612 A HA -0.148 4.174 4.320 0.003 0.000 0.216 612 A C 1.750 179.263 177.584 -0.119 0.000 1.181 612 A CA 1.944 53.878 52.037 -0.170 0.000 0.620 612 A CB -0.562 18.401 19.000 -0.062 0.000 0.819 612 A HN 0.444 nan 8.150 nan 0.000 0.442 613 D N -0.374 119.993 120.400 -0.054 0.000 2.123 613 D HA -0.008 4.634 4.640 0.003 0.000 0.200 613 D C 2.093 178.397 176.300 0.007 0.000 0.976 613 D CA 1.344 55.371 54.000 0.046 0.000 0.831 613 D CB -0.719 40.206 40.800 0.208 0.000 0.974 613 D HN 0.401 nan 8.370 nan 0.000 0.469 614 G N 0.741 109.477 108.800 -0.107 0.000 2.440 614 G HA2 -0.215 3.747 3.960 0.003 0.000 0.218 614 G HA3 -0.215 3.747 3.960 0.003 0.000 0.218 614 G C 1.694 176.534 174.900 -0.099 0.000 1.154 614 G CA 0.328 45.407 45.100 -0.035 0.000 0.767 614 G HN 0.251 nan 8.290 nan 0.000 0.552 615 L N 0.237 121.269 121.223 -0.319 0.000 2.131 615 L HA -0.062 4.280 4.340 0.003 0.000 0.210 615 L C 2.934 179.610 176.870 -0.323 0.000 1.092 615 L CA 0.910 55.466 54.840 -0.473 0.000 0.759 615 L CB -0.233 41.346 42.059 -0.799 0.000 0.903 615 L HN 0.156 nan 8.230 nan 0.000 0.435 616 E N 0.102 120.210 120.200 -0.154 0.000 2.077 616 E HA -0.176 4.176 4.350 0.003 0.000 0.193 616 E C 2.272 178.947 176.600 0.125 0.000 0.989 616 E CA 1.107 57.531 56.400 0.040 0.000 0.800 616 E CB -0.092 29.647 29.700 0.064 0.000 0.746 616 E HN 0.409 nan 8.360 nan 0.000 0.452 617 I N 0.433 121.108 120.570 0.175 0.000 2.252 617 I HA -0.221 3.951 4.170 0.003 0.000 0.245 617 I C 2.402 178.728 176.117 0.349 0.000 1.102 617 I CA 0.811 62.280 61.300 0.281 0.000 1.385 617 I CB -1.187 37.033 38.000 0.366 0.000 1.064 617 I HN 0.309 nan 8.210 nan 0.000 0.414 618 W N 2.614 123.970 121.300 0.093 0.000 2.338 618 W HA -0.249 4.412 4.660 0.003 0.000 0.304 618 W C 2.460 178.975 176.519 -0.007 0.000 1.212 618 W CA 2.237 59.538 57.345 -0.074 0.000 1.264 618 W CB -0.089 29.076 29.460 -0.492 0.000 1.142 618 W HN 0.140 nan 8.180 nan 0.000 0.512 619 A N 0.959 123.862 122.820 0.138 0.000 1.902 619 A HA -0.055 4.267 4.320 0.003 0.000 0.217 619 A C 2.193 179.821 177.584 0.074 0.000 1.181 619 A CA 2.606 54.709 52.037 0.110 0.000 0.623 619 A CB -1.294 17.864 19.000 0.263 0.000 0.818 619 A HN 0.324 nan 8.150 nan 0.000 0.443 620 A N -0.075 122.838 122.820 0.156 0.000 1.898 620 A HA -0.051 4.271 4.320 0.003 0.000 0.216 620 A C 2.105 179.851 177.584 0.270 0.000 1.181 620 A CA 1.487 53.679 52.037 0.259 0.000 0.620 620 A CB -0.576 18.613 19.000 0.315 0.000 0.819 620 A HN 0.496 nan 8.150 nan 0.000 0.442 621 I N -0.609 120.062 120.570 0.170 0.000 2.252 621 I HA -0.241 3.931 4.170 0.003 0.000 0.245 621 I C 2.520 178.519 176.117 -0.197 0.000 1.102 621 I CA 1.732 63.010 61.300 -0.037 0.000 1.385 621 I CB -0.242 37.753 38.000 -0.009 0.000 1.064 621 I HN 0.353 nan 8.210 nan 0.000 0.414 622 K N 0.702 120.916 120.400 -0.310 0.000 2.063 622 K HA -0.188 4.134 4.320 0.003 0.000 0.208 622 K C 2.084 178.591 176.600 -0.154 0.000 1.048 622 K CA 1.996 58.084 56.287 -0.331 0.000 0.928 622 K CB -0.102 32.157 32.500 -0.402 0.000 0.713 622 K HN 0.219 nan 8.250 nan 0.000 0.442 623 T N 0.783 115.306 114.554 -0.051 0.000 2.720 623 T HA -0.196 4.156 4.350 0.003 0.000 0.268 623 T C 1.200 175.940 174.700 0.067 0.000 1.037 623 T CA 1.415 63.531 62.100 0.027 0.000 1.144 623 T CB -0.337 68.586 68.868 0.093 0.000 0.864 623 T HN 0.538 nan 8.240 nan 0.000 0.444 624 W N 1.625 122.808 121.300 -0.196 0.000 2.379 624 W HA -0.157 4.504 4.660 0.003 0.000 0.307 624 W C 1.703 178.134 176.519 -0.145 0.000 1.200 624 W CA 0.575 57.763 57.345 -0.261 0.000 1.297 624 W CB -0.475 28.470 29.460 -0.857 0.000 1.140 624 W HN 0.029 nan 8.180 nan 0.000 0.507 625 V N 1.818 121.437 119.914 -0.491 0.000 2.343 625 V HA -0.332 3.790 4.120 0.003 0.000 0.247 625 V C 2.462 178.393 176.094 -0.272 0.000 1.051 625 V CA 2.285 64.262 62.300 -0.538 0.000 1.036 625 V CB -1.095 30.500 31.823 -0.380 0.000 0.654 625 V HN 0.268 nan 8.190 nan 0.000 0.451 626 Q N -0.602 119.097 119.800 -0.169 0.000 2.224 626 Q HA -0.229 4.113 4.340 0.003 0.000 0.203 626 Q C 2.281 178.252 176.000 -0.049 0.000 0.970 626 Q CA 1.584 57.334 55.803 -0.089 0.000 0.865 626 Q CB -0.025 28.677 28.738 -0.061 0.000 0.922 626 Q HN 0.729 nan 8.270 nan 0.000 0.445 627 E N -0.571 119.609 120.200 -0.033 0.000 2.190 627 E HA -0.135 4.217 4.350 0.003 0.000 0.191 627 E C 1.497 178.098 176.600 0.002 0.000 0.978 627 E CA 0.153 56.566 56.400 0.022 0.000 0.839 627 E CB 0.090 29.863 29.700 0.122 0.000 0.787 627 E HN 0.329 nan 8.360 nan 0.000 0.473 628 Y N 0.775 120.920 120.300 -0.260 0.000 2.153 628 Y HA -0.206 4.346 4.550 0.003 0.000 0.289 628 Y C 2.104 177.982 175.900 -0.036 0.000 1.127 628 Y CA 1.562 59.506 58.100 -0.260 0.000 1.131 628 Y CB -0.350 37.645 38.460 -0.774 0.000 0.995 628 Y HN -0.143 nan 8.280 nan 0.000 0.505 629 V N 1.352 121.315 119.914 0.081 0.000 2.278 629 V HA -0.319 3.802 4.120 0.003 0.000 0.251 629 V C -0.456 175.712 176.094 0.125 0.000 1.062 629 V CA 2.676 65.061 62.300 0.141 0.000 1.038 629 V CB -1.972 29.886 31.823 0.058 0.000 0.646 629 V HN 0.338 nan 8.190 nan 0.000 0.447 630 P HA -0.129 nan 4.420 nan 0.000 0.219 630 P C 1.739 178.961 177.300 -0.131 0.000 1.146 630 P CA 1.231 64.318 63.100 -0.022 0.000 0.808 630 P CB -0.131 31.545 31.700 -0.040 0.000 0.779 631 L N -3.283 117.781 121.223 -0.265 0.000 2.353 631 L HA -0.137 4.205 4.340 0.003 0.000 0.220 631 L C 1.323 177.627 176.870 -0.944 0.000 1.133 631 L CA 1.453 55.929 54.840 -0.607 0.000 0.798 631 L CB -0.592 40.983 42.059 -0.808 0.000 0.922 631 L HN 0.104 nan 8.230 nan 0.000 0.445 632 Y N -3.549 116.602 120.300 -0.248 0.000 2.476 632 Y HA 0.217 4.768 4.550 0.003 0.000 0.261 632 Y C -0.314 175.249 175.900 -0.562 0.000 1.077 632 Y CA -0.799 57.063 58.100 -0.398 0.000 1.240 632 Y CB 0.553 38.721 38.460 -0.487 0.000 1.317 632 Y HN -0.117 nan 8.280 nan 0.000 0.540 633 Y N -0.509 119.793 120.300 0.003 0.000 2.349 633 Y HA 0.600 5.152 4.550 0.003 0.000 0.324 633 Y C 0.679 176.560 175.900 -0.031 0.000 1.005 633 Y CA -0.984 57.115 58.100 -0.001 0.000 1.240 633 Y CB 1.587 40.056 38.460 0.016 0.000 1.117 633 Y HN 0.004 nan 8.280 nan 0.000 0.463 634 A N 3.692 126.549 122.820 0.062 0.000 1.975 634 A HA 0.223 4.545 4.320 0.003 0.000 0.215 634 A C 0.939 178.547 177.584 0.040 0.000 1.170 634 A CA 0.871 52.921 52.037 0.022 0.000 0.656 634 A CB 0.179 19.169 19.000 -0.015 0.000 0.821 634 A HN 0.729 nan 8.150 nan 0.000 0.449 635 R N -1.657 118.883 120.500 0.066 0.000 2.869 635 R HA 0.333 4.675 4.340 0.003 0.000 0.263 635 R C -0.585 175.755 176.300 0.067 0.000 1.066 635 R CA -0.576 55.554 56.100 0.050 0.000 0.960 635 R CB 0.667 30.987 30.300 0.034 0.000 1.221 635 R HN 0.011 nan 8.270 nan 0.000 0.474 636 D N 0.644 121.067 120.400 0.038 0.000 2.178 636 D HA -0.136 4.505 4.640 0.003 0.000 0.201 636 D C 0.729 177.054 176.300 0.041 0.000 0.980 636 D CA 1.482 55.497 54.000 0.026 0.000 0.842 636 D CB 0.016 40.823 40.800 0.011 0.000 0.948 636 D HN 0.436 nan 8.370 nan 0.000 0.472 637 D N 0.690 121.118 120.400 0.047 0.000 2.178 637 D HA -0.110 4.532 4.640 0.003 0.000 0.201 637 D C 1.455 177.805 176.300 0.083 0.000 0.980 637 D CA 0.728 54.759 54.000 0.052 0.000 0.842 637 D CB -0.149 40.675 40.800 0.039 0.000 0.948 637 D HN 0.149 nan 8.370 nan 0.000 0.472 638 D N -0.353 120.119 120.400 0.119 0.000 2.178 638 D HA -0.084 4.558 4.640 0.003 0.000 0.202 638 D C 2.185 178.673 176.300 0.314 0.000 0.974 638 D CA 0.371 54.487 54.000 0.194 0.000 0.841 638 D CB 0.001 40.929 40.800 0.214 0.000 0.953 638 D HN 0.115 nan 8.370 nan 0.000 0.478 639 V N 1.062 121.105 119.914 0.213 0.000 2.283 639 V HA -0.192 3.930 4.120 0.003 0.000 0.243 639 V C 2.478 178.613 176.094 0.069 0.000 1.039 639 V CA 1.423 63.747 62.300 0.040 0.000 1.016 639 V CB -0.416 31.323 31.823 -0.141 0.000 0.650 639 V HN 0.140 nan 8.190 nan 0.000 0.449 640 K N 0.591 121.025 120.400 0.056 0.000 2.103 640 K HA -0.204 4.118 4.320 0.003 0.000 0.207 640 K C 1.535 178.176 176.600 0.069 0.000 1.048 640 K CA 2.172 58.489 56.287 0.050 0.000 0.930 640 K CB -0.255 32.268 32.500 0.037 0.000 0.716 640 K HN 0.583 nan 8.250 nan 0.000 0.444 641 N N 0.734 119.489 118.700 0.091 0.000 2.398 641 N HA -0.058 4.683 4.740 0.003 0.000 0.188 641 N C -0.596 174.989 175.510 0.124 0.000 1.122 641 N CA -0.183 52.921 53.050 0.091 0.000 0.866 641 N CB 0.275 38.807 38.487 0.075 0.000 0.970 641 N HN 0.151 nan 8.380 nan 0.000 0.462 642 D N 0.405 120.910 120.400 0.175 0.000 2.352 642 D HA 0.053 4.695 4.640 0.003 0.000 0.245 642 D C 0.763 177.184 176.300 0.202 0.000 1.224 642 D CA 0.145 54.282 54.000 0.228 0.000 0.879 642 D CB 1.202 42.226 40.800 0.373 0.000 1.057 642 D HN -0.084 nan 8.370 nan 0.000 0.491 643 S N 3.493 119.309 115.700 0.194 0.000 2.368 643 S HA -0.161 4.311 4.470 0.003 0.000 0.225 643 S C 1.497 176.302 174.600 0.341 0.000 1.030 643 S CA 1.206 59.542 58.200 0.227 0.000 0.999 643 S CB 0.088 63.430 63.200 0.236 0.000 0.844 643 S HN 0.573 nan 8.310 nan 0.000 0.459 644 E N 0.075 120.466 120.200 0.318 0.000 2.047 644 E HA -0.109 4.243 4.350 0.003 0.000 0.191 644 E C 2.066 178.836 176.600 0.284 0.000 0.987 644 E CA 1.073 57.660 56.400 0.312 0.000 0.799 644 E CB -0.237 29.607 29.700 0.240 0.000 0.752 644 E HN 0.325 nan 8.360 nan 0.000 0.449 645 L N 1.349 122.718 121.223 0.245 0.000 2.012 645 L HA -0.251 4.090 4.340 0.003 0.000 0.210 645 L C 2.264 179.363 176.870 0.382 0.000 1.073 645 L CA 1.746 56.745 54.840 0.265 0.000 0.748 645 L CB -0.326 41.867 42.059 0.223 0.000 0.891 645 L HN 0.072 nan 8.230 nan 0.000 0.431 646 Q N -1.153 118.775 119.800 0.215 0.000 2.084 646 Q HA -0.228 4.114 4.340 0.003 0.000 0.202 646 Q C 2.257 178.265 176.000 0.015 0.000 0.978 646 Q CA 1.982 57.846 55.803 0.102 0.000 0.844 646 Q CB -0.580 28.134 28.738 -0.042 0.000 0.898 646 Q HN 0.671 nan 8.270 nan 0.000 0.426 647 H N -1.192 117.931 119.070 0.088 0.000 2.357 647 H HA -0.147 4.411 4.556 0.003 0.000 0.301 647 H C 1.638 176.840 175.328 -0.210 0.000 1.082 647 H CA 1.534 57.494 56.048 -0.147 0.000 1.342 647 H CB -0.199 29.424 29.762 -0.232 0.000 1.389 647 H HN 0.371 nan 8.280 nan 0.000 0.511 648 W N 0.640 121.942 121.300 0.004 0.000 2.354 648 W HA -0.244 4.418 4.660 0.003 0.000 0.315 648 W C 2.311 178.930 176.519 0.167 0.000 1.206 648 W CA 1.353 58.778 57.345 0.133 0.000 1.290 648 W CB -0.726 28.856 29.460 0.203 0.000 1.152 648 W HN 0.318 nan 8.180 nan 0.000 0.489 649 W N 2.082 123.318 121.300 -0.108 0.000 2.358 649 W HA -0.222 4.440 4.660 0.003 0.000 0.303 649 W C 2.257 178.570 176.519 -0.344 0.000 1.208 649 W CA 1.942 59.027 57.345 -0.432 0.000 1.274 649 W CB -0.502 28.858 29.460 -0.168 0.000 1.138 649 W HN -0.032 nan 8.180 nan 0.000 0.515 650 K N 0.752 121.034 120.400 -0.197 0.000 2.097 650 K HA -0.266 4.056 4.320 0.003 0.000 0.206 650 K C 2.019 178.386 176.600 -0.388 0.000 1.049 650 K CA 1.939 58.042 56.287 -0.306 0.000 0.933 650 K CB -0.400 31.994 32.500 -0.176 0.000 0.717 650 K HN 0.153 nan 8.250 nan 0.000 0.442 651 E N -0.385 119.631 120.200 -0.306 0.000 2.076 651 E HA -0.102 4.250 4.350 0.003 0.000 0.190 651 E C 1.822 178.186 176.600 -0.394 0.000 0.979 651 E CA 0.715 56.968 56.400 -0.245 0.000 0.807 651 E CB -0.070 29.636 29.700 0.010 0.000 0.761 651 E HN 0.403 nan 8.360 nan 0.000 0.454 652 A N 0.546 123.077 122.820 -0.481 0.000 1.917 652 A HA -0.183 4.139 4.320 0.003 0.000 0.219 652 A C 2.309 179.426 177.584 -0.777 0.000 1.182 652 A CA 1.728 53.417 52.037 -0.580 0.000 0.633 652 A CB -0.597 18.018 19.000 -0.643 0.000 0.819 652 A HN 0.229 nan 8.150 nan 0.000 0.448 653 V N -0.417 118.862 119.914 -1.059 0.000 2.331 653 V HA -0.148 3.973 4.120 0.003 0.000 0.242 653 V C 2.244 177.849 176.094 -0.814 0.000 1.034 653 V CA 1.870 63.406 62.300 -1.274 0.000 1.027 653 V CB -0.785 29.973 31.823 -1.776 0.000 0.667 653 V HN 0.628 nan 8.190 nan 0.000 0.457 654 E N -0.160 119.659 120.200 -0.635 0.000 2.274 654 E HA -0.110 4.242 4.350 0.003 0.000 0.194 654 E C 1.805 178.186 176.600 -0.366 0.000 0.996 654 E CA 0.629 56.775 56.400 -0.423 0.000 0.840 654 E CB 0.131 29.636 29.700 -0.325 0.000 0.772 654 E HN 0.429 nan 8.360 nan 0.000 0.491 655 K N -0.512 119.602 120.400 -0.476 0.000 2.354 655 K HA 0.125 4.447 4.320 0.003 0.000 0.210 655 K C 2.121 178.253 176.600 -0.779 0.000 1.184 655 K CA 0.825 56.757 56.287 -0.592 0.000 0.880 655 K CB -0.885 31.189 32.500 -0.710 0.000 1.328 655 K HN 0.106 nan 8.250 nan 0.000 0.466 656 G N 1.974 110.216 108.800 -0.930 0.000 2.491 656 G HA2 -0.220 3.742 3.960 0.003 0.000 0.218 656 G HA3 -0.220 3.742 3.960 0.003 0.000 0.218 656 G C 0.941 175.487 174.900 -0.590 0.000 1.180 656 G CA 0.928 45.580 45.100 -0.747 0.000 0.774 656 G HN 0.309 nan 8.290 nan 0.000 0.562 657 H N 0.560 119.400 119.070 -0.383 0.000 2.490 657 H HA 0.252 4.810 4.556 0.003 0.000 0.285 657 H C 2.153 177.444 175.328 -0.062 0.000 1.127 657 H CA 0.186 56.173 56.048 -0.101 0.000 0.993 657 H CB 0.303 30.143 29.762 0.131 0.000 1.653 657 H HN 0.336 nan 8.280 nan 0.000 0.557 658 G N 0.541 109.272 108.800 -0.115 0.000 2.485 658 G HA2 -0.253 3.709 3.960 0.003 0.000 0.221 658 G HA3 -0.253 3.709 3.960 0.003 0.000 0.221 658 G C 1.227 176.140 174.900 0.021 0.000 1.115 658 G CA 0.483 45.518 45.100 -0.109 0.000 0.751 658 G HN 0.334 nan 8.290 nan 0.000 0.567 659 D N 0.047 120.527 120.400 0.133 0.000 2.350 659 D HA 0.009 4.651 4.640 0.003 0.000 0.216 659 D C 1.886 178.307 176.300 0.203 0.000 0.968 659 D CA 0.517 54.629 54.000 0.187 0.000 0.894 659 D CB 0.160 41.132 40.800 0.287 0.000 0.909 659 D HN 0.357 nan 8.370 nan 0.000 0.520 660 L N 0.306 121.687 121.223 0.263 0.000 3.122 660 L HA 0.169 4.511 4.340 0.003 0.000 0.274 660 L C 1.854 178.909 176.870 0.308 0.000 1.222 660 L CA -0.176 54.836 54.840 0.288 0.000 1.028 660 L CB 0.355 42.680 42.059 0.442 0.000 1.386 660 L HN -0.083 nan 8.230 nan 0.000 0.578 661 K N -0.076 120.386 120.400 0.102 0.000 2.280 661 K HA -0.171 4.151 4.320 0.003 0.000 0.202 661 K C 1.049 177.625 176.600 -0.040 0.000 1.047 661 K CA 1.589 57.816 56.287 -0.099 0.000 0.942 661 K CB -0.222 32.152 32.500 -0.210 0.000 0.739 661 K HN 0.299 nan 8.250 nan 0.000 0.457 662 D N 0.873 121.268 120.400 -0.009 0.000 2.363 662 D HA -0.057 4.584 4.640 0.003 0.000 0.226 662 D C -0.206 176.042 176.300 -0.086 0.000 1.020 662 D CA 0.332 54.311 54.000 -0.034 0.000 0.892 662 D CB 0.046 40.838 40.800 -0.014 0.000 0.900 662 D HN -0.005 nan 8.370 nan 0.000 0.531 663 K N 1.290 121.580 120.400 -0.184 0.000 2.249 663 K HA 0.213 4.535 4.320 0.003 0.000 0.280 663 K C -1.672 174.605 176.600 -0.538 0.000 1.033 663 K CA -2.012 53.958 56.287 -0.529 0.000 0.946 663 K CB 1.255 33.002 32.500 -1.255 0.000 1.005 663 K HN -0.123 nan 8.250 nan 0.000 0.469 664 P HA -0.090 nan 4.420 nan 0.000 0.222 664 P C 0.789 178.037 177.300 -0.087 0.000 1.147 664 P CA 0.950 63.956 63.100 -0.157 0.000 0.790 664 P CB 0.052 31.728 31.700 -0.040 0.000 0.780 665 W N -2.972 118.318 121.300 -0.016 0.000 3.180 665 W HA 0.146 4.808 4.660 0.004 0.000 0.254 665 W C -0.391 176.138 176.519 0.016 0.000 1.318 665 W CA -0.900 56.414 57.345 -0.052 0.000 1.608 665 W CB -1.284 28.078 29.460 -0.162 0.000 1.124 665 W HN -0.122 nan 8.180 nan 0.000 0.694 666 W N 4.127 125.502 121.300 0.125 0.000 2.322 666 W HA 0.181 4.843 4.660 0.004 0.000 0.328 666 W C -1.802 174.928 176.519 0.351 0.000 1.395 666 W CA -1.382 56.139 57.345 0.293 0.000 1.267 666 W CB -0.092 29.378 29.460 0.017 0.000 1.259 666 W HN -0.367 nan 8.180 nan 0.000 0.560 667 P HA 0.004 nan 4.420 nan 0.000 0.271 667 P C -0.306 177.229 177.300 0.391 0.000 1.216 667 P CA -0.107 63.252 63.100 0.432 0.000 0.776 667 P CB 0.610 32.500 31.700 0.317 0.000 0.881 668 K N 1.830 122.351 120.400 0.201 0.000 2.098 668 K HA 0.346 4.668 4.320 0.003 0.000 0.244 668 K C -0.038 176.532 176.600 -0.051 0.000 1.014 668 K CA -0.550 55.827 56.287 0.149 0.000 0.917 668 K CB 0.239 32.799 32.500 0.101 0.000 1.072 668 K HN 0.288 nan 8.250 nan 0.000 0.477 669 L N 2.271 123.448 121.223 -0.076 0.000 2.960 669 L HA 0.136 4.478 4.340 0.003 0.000 0.274 669 L C 0.254 177.082 176.870 -0.069 0.000 1.327 669 L CA 0.364 55.092 54.840 -0.185 0.000 0.860 669 L CB 0.184 42.064 42.059 -0.299 0.000 1.239 669 L HN 0.359 nan 8.230 nan 0.000 0.551 670 Q N -0.539 119.239 119.800 -0.036 0.000 2.282 670 Q HA 0.311 4.653 4.340 0.003 0.000 0.206 670 Q C 0.494 176.482 176.000 -0.021 0.000 0.878 670 Q CA 0.384 56.181 55.803 -0.011 0.000 0.944 670 Q CB 0.745 29.489 28.738 0.011 0.000 1.100 670 Q HN 0.559 nan 8.270 nan 0.000 0.509 671 T N -4.227 110.299 114.554 -0.046 0.000 2.864 671 T HA 0.520 4.872 4.350 0.003 0.000 0.299 671 T C 0.903 175.556 174.700 -0.079 0.000 1.166 671 T CA -0.740 61.334 62.100 -0.043 0.000 1.007 671 T CB 0.832 69.685 68.868 -0.024 0.000 1.219 671 T HN -0.070 nan 8.240 nan 0.000 0.506 672 L N 0.436 121.622 121.223 -0.062 0.000 2.083 672 L HA 0.012 4.354 4.340 0.003 0.000 0.209 672 L C 2.948 179.772 176.870 -0.078 0.000 1.083 672 L CA 1.634 56.426 54.840 -0.080 0.000 0.752 672 L CB -0.435 41.605 42.059 -0.032 0.000 0.899 672 L HN 0.891 nan 8.230 nan 0.000 0.433 673 E N 0.237 120.406 120.200 -0.052 0.000 2.051 673 E HA -0.253 4.099 4.350 0.003 0.000 0.192 673 E C 1.657 178.226 176.600 -0.053 0.000 0.991 673 E CA 1.552 57.927 56.400 -0.042 0.000 0.799 673 E CB 0.116 29.803 29.700 -0.021 0.000 0.748 673 E HN 0.444 nan 8.360 nan 0.000 0.449 674 D N 0.585 120.946 120.400 -0.064 0.000 2.104 674 D HA -0.180 4.462 4.640 0.003 0.000 0.194 674 D C 2.063 178.279 176.300 -0.139 0.000 0.994 674 D CA 0.725 54.672 54.000 -0.088 0.000 0.830 674 D CB -0.357 40.378 40.800 -0.109 0.000 0.959 674 D HN 0.187 nan 8.370 nan 0.000 0.452 675 L N 0.941 122.067 121.223 -0.162 0.000 2.012 675 L HA -0.152 4.190 4.340 0.003 0.000 0.210 675 L C 2.320 179.114 176.870 -0.125 0.000 1.073 675 L CA 1.351 56.084 54.840 -0.177 0.000 0.748 675 L CB -0.591 41.316 42.059 -0.253 0.000 0.891 675 L HN -0.129 nan 8.230 nan 0.000 0.431 676 V N -0.094 119.752 119.914 -0.113 0.000 2.343 676 V HA -0.313 3.809 4.120 0.003 0.000 0.247 676 V C 2.581 178.617 176.094 -0.096 0.000 1.051 676 V CA 1.986 64.220 62.300 -0.110 0.000 1.036 676 V CB -0.689 31.074 31.823 -0.101 0.000 0.654 676 V HN 0.645 nan 8.190 nan 0.000 0.451 677 E N 0.568 120.731 120.200 -0.061 0.000 2.038 677 E HA -0.229 4.122 4.350 0.003 0.000 0.195 677 E C 2.241 178.863 176.600 0.038 0.000 1.000 677 E CA 2.409 58.801 56.400 -0.013 0.000 0.803 677 E CB -0.152 29.561 29.700 0.021 0.000 0.750 677 E HN 0.516 nan 8.360 nan 0.000 0.448 678 V N -0.070 119.872 119.914 0.047 0.000 2.287 678 V HA -0.293 3.829 4.120 0.003 0.000 0.248 678 V C 2.452 178.654 176.094 0.180 0.000 1.053 678 V CA 1.883 64.285 62.300 0.170 0.000 1.027 678 V CB -1.229 30.483 31.823 -0.184 0.000 0.646 678 V HN 0.465 nan 8.190 nan 0.000 0.447 679 C N 0.130 119.469 119.300 0.066 0.000 2.446 679 C HA -0.001 4.461 4.460 0.003 0.000 0.277 679 C C 2.662 177.633 174.990 -0.031 0.000 1.275 679 C CA 1.192 60.229 59.018 0.031 0.000 1.727 679 C CB -1.246 26.457 27.740 -0.061 0.000 2.010 679 C HN 0.718 nan 8.230 nan 0.000 0.486 680 L N 1.178 122.340 121.223 -0.101 0.000 2.046 680 L HA -0.082 4.260 4.340 0.003 0.000 0.208 680 L C 2.165 178.984 176.870 -0.087 0.000 1.077 680 L CA 1.902 56.609 54.840 -0.222 0.000 0.747 680 L CB -0.716 41.103 42.059 -0.401 0.000 0.896 680 L HN 0.334 nan 8.230 nan 0.000 0.432 681 I N -0.925 119.670 120.570 0.043 0.000 2.202 681 I HA -0.307 3.865 4.170 0.003 0.000 0.242 681 I C 2.450 178.706 176.117 0.231 0.000 1.091 681 I CA 1.466 62.861 61.300 0.157 0.000 1.368 681 I CB -0.292 37.602 38.000 -0.176 0.000 1.058 681 I HN 0.226 nan 8.210 nan 0.000 0.410 682 I N 0.850 121.547 120.570 0.211 0.000 2.163 682 I HA -0.327 3.845 4.170 0.003 0.000 0.243 682 I C 2.487 178.712 176.117 0.180 0.000 1.085 682 I CA 1.797 63.235 61.300 0.230 0.000 1.347 682 I CB -0.272 37.855 38.000 0.211 0.000 1.044 682 I HN 0.166 nan 8.210 nan 0.000 0.408 683 I N -0.278 120.320 120.570 0.047 0.000 2.226 683 I HA -0.325 3.847 4.170 0.003 0.000 0.245 683 I C 2.475 178.614 176.117 0.036 0.000 1.100 683 I CA 1.386 62.595 61.300 -0.151 0.000 1.374 683 I CB -0.516 37.277 38.000 -0.344 0.000 1.057 683 I HN 0.539 nan 8.210 nan 0.000 0.413 684 W N 2.388 123.706 121.300 0.031 0.000 2.333 684 W HA -0.233 4.429 4.660 0.003 0.000 0.316 684 W C 2.291 178.938 176.519 0.215 0.000 1.215 684 W CA 1.672 59.120 57.345 0.172 0.000 1.278 684 W CB -0.355 29.320 29.460 0.357 0.000 1.154 684 W HN 0.053 nan 8.180 nan 0.000 0.486 685 I N 1.598 122.237 120.570 0.115 0.000 2.163 685 I HA -0.322 3.849 4.170 0.003 0.000 0.243 685 I C 2.766 178.919 176.117 0.059 0.000 1.085 685 I CA 1.919 63.261 61.300 0.071 0.000 1.347 685 I CB -1.062 37.107 38.000 0.281 0.000 1.044 685 I HN -0.006 nan 8.210 nan 0.000 0.408 686 A N 0.177 123.071 122.820 0.122 0.000 2.015 686 A HA -0.143 4.179 4.320 0.003 0.000 0.219 686 A C 2.331 179.999 177.584 0.141 0.000 1.163 686 A CA 1.997 54.120 52.037 0.142 0.000 0.646 686 A CB -0.423 18.720 19.000 0.239 0.000 0.806 686 A HN 0.558 nan 8.150 nan 0.000 0.448 687 S N -0.998 114.757 115.700 0.091 0.000 2.860 687 S HA 0.464 4.935 4.470 0.003 0.000 0.181 687 S C 2.171 176.789 174.600 0.029 0.000 0.763 687 S CA 0.703 58.978 58.200 0.126 0.000 0.829 687 S CB -0.873 62.429 63.200 0.171 0.000 0.793 687 S HN 0.763 nan 8.310 nan 0.000 0.614 688 A N 1.434 124.154 122.820 -0.168 0.000 1.902 688 A HA 0.103 4.424 4.320 0.003 0.000 0.217 688 A C 2.290 179.606 177.584 -0.446 0.000 1.181 688 A CA 1.650 53.495 52.037 -0.319 0.000 0.623 688 A CB -1.111 17.633 19.000 -0.427 0.000 0.818 688 A HN 0.534 nan 8.150 nan 0.000 0.443 689 L N -0.587 120.156 121.223 -0.800 0.000 2.017 689 L HA -0.201 4.141 4.340 0.003 0.000 0.208 689 L C 2.443 179.270 176.870 -0.070 0.000 1.073 689 L CA 2.755 57.350 54.840 -0.409 0.000 0.745 689 L CB -0.852 40.967 42.059 -0.400 0.000 0.894 689 L HN 0.652 nan 8.230 nan 0.000 0.432 690 H N -0.493 118.530 119.070 -0.079 0.000 2.353 690 H HA -0.131 4.427 4.556 0.003 0.000 0.300 690 H C 1.893 177.263 175.328 0.071 0.000 1.090 690 H CA 1.550 57.612 56.048 0.024 0.000 1.327 690 H CB 0.225 30.012 29.762 0.041 0.000 1.383 690 H HN 0.481 nan 8.280 nan 0.000 0.508 691 A N 1.280 124.141 122.820 0.068 0.000 1.902 691 A HA -0.091 4.231 4.320 0.003 0.000 0.217 691 A C 2.725 180.383 177.584 0.123 0.000 1.181 691 A CA 1.821 54.009 52.037 0.252 0.000 0.623 691 A CB -1.096 18.082 19.000 0.297 0.000 0.818 691 A HN 0.582 nan 8.150 nan 0.000 0.443 692 A N -0.249 122.613 122.820 0.071 0.000 1.933 692 A HA 0.003 4.325 4.320 0.003 0.000 0.218 692 A C 2.152 179.752 177.584 0.027 0.000 1.175 692 A CA 2.130 54.232 52.037 0.108 0.000 0.628 692 A CB -0.938 18.233 19.000 0.286 0.000 0.814 692 A HN 1.211 nan 8.150 nan 0.000 0.444 693 V N -2.690 117.190 119.914 -0.057 0.000 3.650 693 V HA 0.127 4.249 4.120 0.003 0.000 0.271 693 V C 1.410 177.385 176.094 -0.198 0.000 1.281 693 V CA 1.686 63.967 62.300 -0.031 0.000 1.120 693 V CB -0.730 31.101 31.823 0.013 0.000 0.856 693 V HN 0.513 nan 8.190 nan 0.000 0.443 694 N N 0.279 118.698 118.700 -0.468 0.000 2.508 694 N HA 0.176 4.918 4.740 0.003 0.000 0.186 694 N C 1.194 176.369 175.510 -0.558 0.000 1.034 694 N CA 0.723 53.328 53.050 -0.741 0.000 0.885 694 N CB -0.099 37.645 38.487 -1.238 0.000 1.135 694 N HN 0.371 nan 8.380 nan 0.000 0.435 695 F N -0.026 119.852 119.950 -0.120 0.000 2.771 695 F HA 0.311 4.840 4.527 0.003 0.000 0.299 695 F C 1.957 177.795 175.800 0.063 0.000 1.177 695 F CA 0.500 58.463 58.000 -0.060 0.000 1.450 695 F CB -0.069 38.863 39.000 -0.113 0.000 1.114 695 F HN 0.160 nan 8.300 nan 0.000 0.587 696 G N -1.280 107.641 108.800 0.202 0.000 3.233 696 G HA2 0.026 3.988 3.960 0.003 0.000 0.234 696 G HA3 0.026 3.988 3.960 0.003 0.000 0.234 696 G C 1.298 176.358 174.900 0.266 0.000 1.137 696 G CA -0.116 45.219 45.100 0.392 0.000 0.763 696 G HN 0.249 nan 8.290 nan 0.000 0.549 697 Q N -0.416 119.471 119.800 0.147 0.000 2.002 697 Q HA -0.190 4.152 4.340 0.003 0.000 0.204 697 Q C 1.984 178.065 176.000 0.135 0.000 0.988 697 Q CA 1.573 57.451 55.803 0.125 0.000 0.843 697 Q CB -0.240 28.574 28.738 0.127 0.000 0.908 697 Q HN 0.573 nan 8.270 nan 0.000 0.420 698 Y N 0.926 121.267 120.300 0.069 0.000 2.220 698 Y HA -0.083 4.469 4.550 0.003 0.000 0.291 698 Y C -0.928 174.972 175.900 0.001 0.000 1.129 698 Y CA 1.057 59.185 58.100 0.046 0.000 1.161 698 Y CB -0.747 37.753 38.460 0.066 0.000 0.997 698 Y HN 0.079 nan 8.280 nan 0.000 0.522 699 P HA -0.205 nan 4.420 nan 0.000 0.216 699 P C 0.704 177.775 177.300 -0.382 0.000 1.150 699 P CA 2.052 65.032 63.100 -0.201 0.000 0.843 699 P CB -0.130 31.251 31.700 -0.531 0.000 0.787 700 Y N -1.983 118.229 120.300 -0.147 0.000 2.396 700 Y HA 0.269 4.821 4.550 0.003 0.000 0.292 700 Y C 2.560 178.337 175.900 -0.205 0.000 1.128 700 Y CA 1.125 59.137 58.100 -0.148 0.000 1.194 700 Y CB -1.079 37.344 38.460 -0.062 0.000 1.124 700 Y HN -0.132 nan 8.280 nan 0.000 0.543 701 G N -0.853 107.920 108.800 -0.044 0.000 2.985 701 G HA2 0.040 4.002 3.960 0.003 0.000 0.209 701 G HA3 0.040 4.002 3.960 0.003 0.000 0.209 701 G C 1.805 176.508 174.900 -0.328 0.000 1.165 701 G CA 0.566 45.578 45.100 -0.146 0.000 0.776 701 G HN 0.471 nan 8.290 nan 0.000 0.541 702 G N 0.179 108.623 108.800 -0.593 0.000 2.498 702 G HA2 0.037 3.999 3.960 0.003 0.000 0.219 702 G HA3 0.037 3.999 3.960 0.003 0.000 0.219 702 G C 0.529 175.082 174.900 -0.579 0.000 1.119 702 G CA 0.166 44.662 45.100 -1.006 0.000 0.766 702 G HN 0.395 nan 8.290 nan 0.000 0.552 703 L N 0.753 121.704 121.223 -0.454 0.000 2.277 703 L HA 0.501 4.843 4.340 0.003 0.000 0.284 703 L C 1.206 177.796 176.870 -0.467 0.000 1.028 703 L CA -0.741 53.842 54.840 -0.429 0.000 0.835 703 L CB 1.235 43.022 42.059 -0.454 0.000 1.215 703 L HN -0.025 nan 8.230 nan 0.000 0.425 704 I N 4.191 124.504 120.570 -0.428 0.000 2.315 704 I HA -0.281 3.891 4.170 0.003 0.000 0.251 704 I C 1.813 177.681 176.117 -0.414 0.000 1.125 704 I CA 1.816 62.899 61.300 -0.363 0.000 1.392 704 I CB 0.056 37.892 38.000 -0.273 0.000 1.065 704 I HN 0.813 nan 8.210 nan 0.000 0.424 705 M N -0.358 118.858 119.600 -0.640 0.000 2.229 705 M HA -0.162 4.320 4.480 0.003 0.000 0.264 705 M C 1.972 177.783 176.300 -0.815 0.000 1.063 705 M CA 1.567 56.406 55.300 -0.768 0.000 1.114 705 M CB -0.682 30.988 32.600 -1.550 0.000 1.387 705 M HN 0.257 nan 8.290 nan 0.000 0.420 706 N N 0.269 118.473 118.700 -0.826 0.000 2.250 706 N HA -0.029 4.713 4.740 0.003 0.000 0.181 706 N C -0.039 175.382 175.510 -0.148 0.000 1.017 706 N CA 0.908 53.725 53.050 -0.389 0.000 0.866 706 N CB 0.432 38.743 38.487 -0.292 0.000 0.985 706 N HN 0.001 nan 8.380 nan 0.000 0.429 707 R N 0.629 121.014 120.500 -0.191 0.000 2.629 707 R HA 0.337 4.679 4.340 0.003 0.000 0.277 707 R C -2.665 173.548 176.300 -0.145 0.000 1.637 707 R CA -1.682 54.350 56.100 -0.113 0.000 1.663 707 R CB 0.944 31.192 30.300 -0.085 0.000 1.228 707 R HN 0.282 nan 8.270 nan 0.000 0.632 708 P HA 0.018 nan 4.420 nan 0.000 0.268 708 P C 0.803 177.983 177.300 -0.199 0.000 1.205 708 P CA 0.207 63.191 63.100 -0.194 0.000 0.771 708 P CB 0.899 32.472 31.700 -0.213 0.000 0.858 709 T N -0.540 113.827 114.554 -0.312 0.000 3.065 709 T HA 0.443 4.795 4.350 0.003 0.000 0.252 709 T C 0.605 175.106 174.700 -0.331 0.000 1.099 709 T CA 0.194 61.982 62.100 -0.520 0.000 1.063 709 T CB 0.066 68.267 68.868 -1.112 0.000 0.948 709 T HN 0.630 nan 8.240 nan 0.000 0.506 710 A N 0.903 123.593 122.820 -0.217 0.000 2.612 710 A HA 0.719 5.041 4.320 0.003 0.000 0.293 710 A C -0.815 176.701 177.584 -0.113 0.000 1.075 710 A CA -0.762 51.205 52.037 -0.117 0.000 0.680 710 A CB 1.280 20.211 19.000 -0.115 0.000 1.279 710 A HN 0.606 nan 8.150 nan 0.000 0.411 711 S N -0.093 115.577 115.700 -0.050 0.000 2.526 711 S HA 0.705 5.177 4.470 0.003 0.000 0.293 711 S C -0.084 174.521 174.600 0.008 0.000 1.092 711 S CA -0.845 57.327 58.200 -0.046 0.000 0.980 711 S CB 1.925 65.149 63.200 0.040 0.000 1.048 711 S HN 0.710 nan 8.310 nan 0.000 0.483 712 R N 0.461 120.961 120.500 -0.000 0.000 2.437 712 R HA 0.284 4.626 4.340 0.003 0.000 0.257 712 R C 0.289 176.611 176.300 0.036 0.000 0.927 712 R CA -0.049 56.058 56.100 0.011 0.000 1.078 712 R CB 0.404 30.696 30.300 -0.013 0.000 1.161 712 R HN 0.830 nan 8.270 nan 0.000 0.529 713 R N -0.529 120.019 120.500 0.081 0.000 2.690 713 R HA 0.337 4.679 4.340 0.003 0.000 0.269 713 R C -1.141 175.260 176.300 0.169 0.000 1.037 713 R CA -0.847 55.306 56.100 0.088 0.000 0.877 713 R CB 0.866 31.214 30.300 0.080 0.000 1.255 713 R HN -0.158 nan 8.270 nan 0.000 0.467 714 L N 1.055 122.317 121.223 0.066 0.000 2.567 714 L HA 0.437 4.779 4.340 0.003 0.000 0.238 714 L C 0.456 177.463 176.870 0.228 0.000 1.168 714 L CA -1.283 53.564 54.840 0.012 0.000 0.817 714 L CB 0.315 42.268 42.059 -0.177 0.000 1.409 714 L HN 0.409 nan 8.230 nan 0.000 0.502 715 L N 1.860 123.257 121.223 0.291 0.000 2.456 715 L HA 0.164 4.506 4.340 0.003 0.000 0.272 715 L C -1.806 175.200 176.870 0.226 0.000 1.189 715 L CA -1.473 53.539 54.840 0.288 0.000 0.846 715 L CB 0.119 42.336 42.059 0.262 0.000 1.111 715 L HN 0.404 nan 8.230 nan 0.000 0.475 716 P HA 0.141 nan 4.420 nan 0.000 0.276 716 P C -0.950 176.526 177.300 0.294 0.000 1.244 716 P CA -0.573 62.668 63.100 0.236 0.000 0.801 716 P CB 0.881 32.723 31.700 0.237 0.000 1.006 717 E N 1.361 121.677 120.200 0.194 0.000 2.331 717 E HA 0.077 4.429 4.350 0.003 0.000 0.272 717 E C 1.129 177.697 176.600 -0.053 0.000 1.036 717 E CA -0.385 56.065 56.400 0.084 0.000 0.864 717 E CB 0.970 30.694 29.700 0.039 0.000 1.035 717 E HN 0.377 nan 8.360 nan 0.000 0.408 718 K N 1.227 121.386 120.400 -0.401 0.000 2.189 718 K HA -0.180 4.142 4.320 0.003 0.000 0.207 718 K C 1.340 177.620 176.600 -0.535 0.000 1.046 718 K CA 1.637 57.302 56.287 -1.037 0.000 0.928 718 K CB -0.039 32.036 32.500 -0.710 0.000 0.720 718 K HN 0.536 nan 8.250 nan 0.000 0.458 719 G N 1.076 109.752 108.800 -0.206 0.000 3.707 719 G HA2 0.041 4.003 3.960 0.003 0.000 0.286 719 G HA3 0.041 4.003 3.960 0.003 0.000 0.286 719 G C -0.149 174.752 174.900 0.003 0.000 1.112 719 G CA -0.233 44.819 45.100 -0.081 0.000 0.861 719 G HN 0.262 nan 8.290 nan 0.000 0.534 720 T N -2.894 111.693 114.554 0.055 0.000 2.940 720 T HA 0.559 4.910 4.350 0.003 0.000 0.288 720 T C -1.550 173.226 174.700 0.127 0.000 1.033 720 T CA -1.874 60.279 62.100 0.089 0.000 1.033 720 T CB 3.020 71.948 68.868 0.100 0.000 1.079 720 T HN -0.145 nan 8.240 nan 0.000 0.496 721 P HA -0.049 nan 4.420 nan 0.000 0.220 721 P C 0.866 178.228 177.300 0.104 0.000 1.148 721 P CA 1.015 64.169 63.100 0.090 0.000 0.803 721 P CB 0.232 31.970 31.700 0.063 0.000 0.782 722 E N -0.796 119.472 120.200 0.114 0.000 2.110 722 E HA -0.184 4.168 4.350 0.003 0.000 0.193 722 E C 2.078 178.754 176.600 0.127 0.000 0.988 722 E CA 1.015 57.481 56.400 0.109 0.000 0.804 722 E CB -1.182 28.585 29.700 0.113 0.000 0.745 722 E HN 0.312 nan 8.360 nan 0.000 0.458 723 Y N 1.624 121.960 120.300 0.060 0.000 2.242 723 Y HA -0.180 4.372 4.550 0.003 0.000 0.291 723 Y C 1.819 177.754 175.900 0.057 0.000 1.137 723 Y CA 1.354 59.492 58.100 0.063 0.000 1.181 723 Y CB 0.277 38.771 38.460 0.056 0.000 0.989 723 Y HN -0.038 nan 8.280 nan 0.000 0.527 724 E N 0.297 120.622 120.200 0.208 0.000 2.153 724 E HA -0.247 4.105 4.350 0.003 0.000 0.194 724 E C 1.982 178.610 176.600 0.047 0.000 0.988 724 E CA 1.338 57.815 56.400 0.129 0.000 0.811 724 E CB -0.326 29.443 29.700 0.116 0.000 0.746 724 E HN 0.700 nan 8.360 nan 0.000 0.466 725 E N 0.479 120.703 120.200 0.039 0.000 2.106 725 E HA -0.127 4.225 4.350 0.003 0.000 0.192 725 E C 2.096 178.697 176.600 0.002 0.000 0.984 725 E CA 0.726 57.141 56.400 0.024 0.000 0.806 725 E CB 0.014 29.736 29.700 0.037 0.000 0.750 725 E HN 0.170 nan 8.360 nan 0.000 0.458 726 M N 0.249 119.821 119.600 -0.047 0.000 2.149 726 M HA -0.179 4.303 4.480 0.003 0.000 0.261 726 M C 2.233 178.503 176.300 -0.050 0.000 1.064 726 M CA 1.364 56.624 55.300 -0.066 0.000 1.102 726 M CB -0.240 32.233 32.600 -0.211 0.000 1.369 726 M HN 0.243 nan 8.290 nan 0.000 0.408 727 I N -0.033 120.490 120.570 -0.080 0.000 2.286 727 I HA -0.256 3.916 4.170 0.003 0.000 0.245 727 I C 1.904 178.028 176.117 0.012 0.000 1.104 727 I CA 0.974 62.254 61.300 -0.033 0.000 1.397 727 I CB -0.542 37.455 38.000 -0.005 0.000 1.072 727 I HN 0.338 nan 8.210 nan 0.000 0.417 728 N N 0.374 119.086 118.700 0.019 0.000 2.395 728 N HA -0.041 4.701 4.740 0.003 0.000 0.175 728 N C 0.469 175.996 175.510 0.028 0.000 1.029 728 N CA 0.717 53.783 53.050 0.026 0.000 0.897 728 N CB -0.017 38.483 38.487 0.021 0.000 0.991 728 N HN 0.213 nan 8.380 nan 0.000 0.441 729 N N 0.528 119.243 118.700 0.024 0.000 2.722 729 N HA -0.008 4.734 4.740 0.003 0.000 0.242 729 N C 0.643 176.125 175.510 -0.047 0.000 1.398 729 N CA -0.182 52.853 53.050 -0.025 0.000 0.755 729 N CB -0.022 38.445 38.487 -0.033 0.000 1.268 729 N HN 0.207 nan 8.380 nan 0.000 0.522 730 H N 0.469 119.495 119.070 -0.073 0.000 2.421 730 H HA 0.036 4.594 4.556 0.003 0.000 0.298 730 H C 0.443 175.721 175.328 -0.084 0.000 1.087 730 H CA 1.168 57.181 56.048 -0.058 0.000 1.330 730 H CB 0.340 30.066 29.762 -0.060 0.000 1.388 730 H HN 0.459 nan 8.280 nan 0.000 0.526 731 E N 0.767 120.418 120.200 -0.915 0.000 2.072 731 E HA -0.148 4.204 4.350 0.003 0.000 0.191 731 E C 2.251 178.703 176.600 -0.247 0.000 0.985 731 E CA 1.105 56.966 56.400 -0.898 0.000 0.801 731 E CB 0.077 29.060 29.700 -1.195 0.000 0.750 731 E HN 0.254 nan 8.360 nan 0.000 0.452 732 K N 1.346 121.654 120.400 -0.154 0.000 2.057 732 K HA -0.072 4.250 4.320 0.003 0.000 0.206 732 K C 1.855 178.491 176.600 0.061 0.000 1.050 732 K CA 1.354 57.647 56.287 0.009 0.000 0.935 732 K CB -0.412 32.103 32.500 0.024 0.000 0.715 732 K HN 0.087 nan 8.250 nan 0.000 0.439 733 A N -0.392 122.459 122.820 0.052 0.000 1.908 733 A HA -0.186 4.136 4.320 0.003 0.000 0.218 733 A C 2.241 179.896 177.584 0.119 0.000 1.181 733 A CA 1.682 53.768 52.037 0.082 0.000 0.627 733 A CB -1.013 18.036 19.000 0.082 0.000 0.818 733 A HN 0.512 nan 8.150 nan 0.000 0.445 734 Y N 0.400 120.732 120.300 0.053 0.000 2.114 734 Y HA -0.156 4.396 4.550 0.003 0.000 0.284 734 Y C 2.059 178.011 175.900 0.088 0.000 1.143 734 Y CA 1.992 60.155 58.100 0.105 0.000 1.135 734 Y CB -0.267 38.362 38.460 0.281 0.000 0.980 734 Y HN 0.217 nan 8.280 nan 0.000 0.499 735 L N -0.289 121.108 121.223 0.290 0.000 2.131 735 L HA -0.232 4.110 4.340 0.003 0.000 0.210 735 L C 2.461 179.367 176.870 0.060 0.000 1.092 735 L CA 1.411 56.363 54.840 0.188 0.000 0.759 735 L CB -0.486 41.717 42.059 0.239 0.000 0.903 735 L HN 0.155 nan 8.230 nan 0.000 0.435 736 R N -0.935 119.592 120.500 0.044 0.000 2.148 736 R HA -0.065 4.277 4.340 0.003 0.000 0.223 736 R C 2.197 178.481 176.300 -0.028 0.000 1.088 736 R CA 1.422 57.533 56.100 0.018 0.000 0.985 736 R CB -0.268 30.055 30.300 0.039 0.000 0.880 736 R HN 0.326 nan 8.270 nan 0.000 0.451 737 T N 1.564 116.068 114.554 -0.084 0.000 2.851 737 T HA 0.036 4.388 4.350 0.003 0.000 0.262 737 T C 1.269 175.839 174.700 -0.217 0.000 1.043 737 T CA 0.797 62.806 62.100 -0.152 0.000 1.140 737 T CB -0.072 68.643 68.868 -0.256 0.000 0.872 737 T HN 0.231 nan 8.240 nan 0.000 0.446 738 I N 0.008 120.409 120.570 -0.281 0.000 3.468 738 I HA 0.365 4.537 4.170 0.003 0.000 0.299 738 I C 0.045 176.073 176.117 -0.149 0.000 1.141 738 I CA -1.098 60.044 61.300 -0.264 0.000 0.950 738 I CB -0.042 37.745 38.000 -0.355 0.000 1.522 738 I HN -0.175 nan 8.210 nan 0.000 0.699 739 T N 2.171 116.634 114.554 -0.152 0.000 2.867 739 T HA -0.058 4.294 4.350 0.003 0.000 0.290 739 T C 0.346 175.002 174.700 -0.074 0.000 1.025 739 T CA 0.204 62.227 62.100 -0.128 0.000 1.146 739 T CB -0.098 68.672 68.868 -0.165 0.000 1.024 739 T HN 0.649 nan 8.240 nan 0.000 0.519 740 S N 1.114 116.752 115.700 -0.102 0.000 2.589 740 S HA 0.106 4.578 4.470 0.003 0.000 0.265 740 S C 1.673 176.149 174.600 -0.208 0.000 1.342 740 S CA -0.667 57.454 58.200 -0.132 0.000 1.005 740 S CB 0.615 63.725 63.200 -0.150 0.000 0.909 740 S HN 0.834 nan 8.310 nan 0.000 0.555 741 K N 1.241 121.394 120.400 -0.412 0.000 2.044 741 K HA -0.171 4.151 4.320 0.003 0.000 0.210 741 K C 1.951 178.277 176.600 -0.457 0.000 1.049 741 K CA 1.770 57.613 56.287 -0.740 0.000 0.927 741 K CB -0.366 31.483 32.500 -1.085 0.000 0.713 741 K HN 0.557 nan 8.250 nan 0.000 0.443 742 L N 1.667 122.542 121.223 -0.581 0.000 1.976 742 L HA -0.078 4.264 4.340 0.003 0.000 0.209 742 L C -1.282 175.348 176.870 -0.400 0.000 1.071 742 L CA 1.741 56.096 54.840 -0.808 0.000 0.746 742 L CB -1.123 40.222 42.059 -1.190 0.000 0.890 742 L HN 0.151 nan 8.230 nan 0.000 0.432 743 P HA -0.117 nan 4.420 nan 0.000 0.219 743 P C 1.484 178.711 177.300 -0.121 0.000 1.146 743 P CA 1.590 64.593 63.100 -0.162 0.000 0.808 743 P CB -0.292 31.319 31.700 -0.148 0.000 0.779 744 T N 0.781 115.256 114.554 -0.131 0.000 2.708 744 T HA -0.087 4.265 4.350 0.003 0.000 0.266 744 T C 1.939 176.610 174.700 -0.047 0.000 1.037 744 T CA 1.110 63.169 62.100 -0.067 0.000 1.146 744 T CB -0.829 68.075 68.868 0.060 0.000 0.865 744 T HN 0.077 nan 8.240 nan 0.000 0.435 745 L N 0.171 121.341 121.223 -0.089 0.000 2.079 745 L HA -0.096 4.246 4.340 0.003 0.000 0.210 745 L C 2.386 179.389 176.870 0.222 0.000 1.081 745 L CA 1.261 56.082 54.840 -0.031 0.000 0.752 745 L CB -0.628 41.168 42.059 -0.439 0.000 0.896 745 L HN 0.290 nan 8.230 nan 0.000 0.433 746 I N -0.583 120.090 120.570 0.171 0.000 2.233 746 I HA -0.248 3.924 4.170 0.003 0.000 0.243 746 I C 2.787 179.036 176.117 0.220 0.000 1.093 746 I CA 1.478 62.946 61.300 0.279 0.000 1.380 746 I CB -0.370 37.739 38.000 0.182 0.000 1.067 746 I HN 0.293 nan 8.210 nan 0.000 0.413 747 S N 1.348 117.122 115.700 0.123 0.000 2.383 747 S HA -0.100 4.372 4.470 0.003 0.000 0.227 747 S C 2.032 176.733 174.600 0.168 0.000 1.026 747 S CA 0.841 59.114 58.200 0.121 0.000 0.981 747 S CB -0.928 62.277 63.200 0.009 0.000 0.818 747 S HN 0.382 nan 8.310 nan 0.000 0.472 748 L N 1.414 122.729 121.223 0.154 0.000 2.046 748 L HA -0.095 4.247 4.340 0.003 0.000 0.208 748 L C 2.949 180.084 176.870 0.441 0.000 1.077 748 L CA 1.429 56.404 54.840 0.224 0.000 0.747 748 L CB -0.890 41.148 42.059 -0.035 0.000 0.896 748 L HN 0.357 nan 8.230 nan 0.000 0.432 749 S N -0.418 115.583 115.700 0.501 0.000 2.356 749 S HA -0.146 4.325 4.470 0.003 0.000 0.223 749 S C 2.036 176.775 174.600 0.232 0.000 1.032 749 S CA 1.325 59.783 58.200 0.429 0.000 1.005 749 S CB -0.252 63.249 63.200 0.501 0.000 0.867 749 S HN 0.175 nan 8.310 nan 0.000 0.449 750 V N 3.387 123.433 119.914 0.219 0.000 2.261 750 V HA -0.175 3.946 4.120 0.003 0.000 0.246 750 V C 2.240 178.435 176.094 0.167 0.000 1.047 750 V CA 1.848 64.244 62.300 0.159 0.000 1.015 750 V CB -0.986 30.928 31.823 0.153 0.000 0.642 750 V HN 0.664 nan 8.190 nan 0.000 0.446 751 I N -1.209 119.494 120.570 0.222 0.000 2.614 751 I HA -0.169 4.003 4.170 0.003 0.000 0.258 751 I C 2.270 178.533 176.117 0.244 0.000 1.189 751 I CA 1.897 63.340 61.300 0.239 0.000 1.462 751 I CB -0.523 37.633 38.000 0.260 0.000 1.092 751 I HN 0.387 nan 8.210 nan 0.000 0.442 752 E N 1.932 122.256 120.200 0.207 0.000 2.072 752 E HA -0.167 4.185 4.350 0.003 0.000 0.191 752 E C 2.279 178.857 176.600 -0.036 0.000 0.985 752 E CA 1.346 57.712 56.400 -0.057 0.000 0.801 752 E CB -0.035 29.502 29.700 -0.271 0.000 0.750 752 E HN 0.649 nan 8.360 nan 0.000 0.452 753 I N 1.041 121.615 120.570 0.006 0.000 2.179 753 I HA -0.296 3.876 4.170 0.003 0.000 0.242 753 I C 2.330 178.475 176.117 0.047 0.000 1.088 753 I CA 0.952 62.257 61.300 0.008 0.000 1.357 753 I CB -0.220 37.790 38.000 0.017 0.000 1.051 753 I HN 0.189 nan 8.210 nan 0.000 0.409 754 L N -0.171 121.094 121.223 0.071 0.000 2.265 754 L HA -0.137 4.204 4.340 0.003 0.000 0.215 754 L C 2.060 178.916 176.870 -0.024 0.000 1.117 754 L CA 0.888 55.765 54.840 0.061 0.000 0.782 754 L CB -0.559 41.563 42.059 0.105 0.000 0.914 754 L HN 0.167 nan 8.230 nan 0.000 0.441 755 S N -1.601 114.124 115.700 0.040 0.000 2.575 755 S HA 0.051 4.523 4.470 0.003 0.000 0.215 755 S C 0.753 175.472 174.600 0.198 0.000 0.966 755 S CA -0.011 58.246 58.200 0.095 0.000 0.911 755 S CB 0.089 63.395 63.200 0.177 0.000 0.780 755 S HN 0.296 nan 8.310 nan 0.000 0.514 756 T N 2.719 117.354 114.554 0.136 0.000 2.845 756 T HA 0.258 4.610 4.350 0.003 0.000 0.288 756 T C -0.478 174.312 174.700 0.150 0.000 0.980 756 T CA -0.305 61.861 62.100 0.109 0.000 1.071 756 T CB 0.529 69.431 68.868 0.056 0.000 0.941 756 T HN 0.183 nan 8.240 nan 0.000 0.487 757 H N 1.724 120.908 119.070 0.191 0.000 2.604 757 H HA 0.489 5.047 4.556 0.003 0.000 0.306 757 H C 0.413 175.795 175.328 0.089 0.000 1.075 757 H CA -0.562 55.561 56.048 0.126 0.000 1.357 757 H CB 0.812 30.616 29.762 0.070 0.000 1.426 757 H HN 0.802 nan 8.280 nan 0.000 0.470 758 A N 2.521 125.458 122.820 0.195 0.000 2.466 758 A HA 0.068 4.390 4.320 0.003 0.000 0.238 758 A C 1.478 179.127 177.584 0.109 0.000 1.074 758 A CA 0.259 52.357 52.037 0.101 0.000 0.774 758 A CB 0.203 19.238 19.000 0.059 0.000 1.015 758 A HN 0.837 nan 8.150 nan 0.000 0.498 759 S N 0.070 115.820 115.700 0.085 0.000 2.515 759 S HA -0.098 4.374 4.470 0.003 0.000 0.231 759 S C 0.570 175.220 174.600 0.084 0.000 0.987 759 S CA 1.083 59.335 58.200 0.087 0.000 0.936 759 S CB -0.283 62.958 63.200 0.067 0.000 0.766 759 S HN 0.796 nan 8.310 nan 0.000 0.528 760 D N 0.311 120.762 120.400 0.084 0.000 2.427 760 D HA 0.233 4.875 4.640 0.003 0.000 0.224 760 D C 0.193 176.513 176.300 0.034 0.000 1.157 760 D CA -0.455 53.592 54.000 0.078 0.000 0.828 760 D CB -0.310 40.562 40.800 0.119 0.000 0.974 760 D HN 0.360 nan 8.370 nan 0.000 0.498 761 E N 0.190 120.374 120.200 -0.027 0.000 2.398 761 E HA 0.207 4.559 4.350 0.003 0.000 0.263 761 E C -0.847 175.591 176.600 -0.271 0.000 1.046 761 E CA -0.373 55.900 56.400 -0.211 0.000 0.908 761 E CB 1.081 30.492 29.700 -0.481 0.000 0.963 761 E HN -0.048 nan 8.360 nan 0.000 0.431 762 V N 5.633 125.374 119.914 -0.288 0.000 2.334 762 V HA 0.256 4.378 4.120 0.003 0.000 0.281 762 V C -0.728 175.214 176.094 -0.253 0.000 1.016 762 V CA -0.627 61.569 62.300 -0.174 0.000 0.832 762 V CB 0.053 31.817 31.823 -0.099 0.000 0.999 762 V HN 0.592 nan 8.190 nan 0.000 0.439 763 Y N 3.050 123.316 120.300 -0.056 0.000 2.334 763 Y HA 0.476 5.028 4.550 0.003 0.000 0.325 763 Y C 0.358 176.230 175.900 -0.046 0.000 1.308 763 Y CA -0.888 57.171 58.100 -0.068 0.000 1.389 763 Y CB 0.797 39.180 38.460 -0.128 0.000 1.328 763 Y HN 0.468 nan 8.280 nan 0.000 0.532 764 L N 1.974 123.290 121.223 0.155 0.000 2.559 764 L HA 0.260 4.602 4.340 0.003 0.000 0.274 764 L C 1.011 177.809 176.870 -0.120 0.000 1.205 764 L CA 1.482 56.380 54.840 0.096 0.000 0.907 764 L CB -0.341 41.781 42.059 0.106 0.000 1.153 764 L HN 0.871 nan 8.230 nan 0.000 0.490 765 G N 2.640 111.333 108.800 -0.178 0.000 2.175 765 G HA2 -0.207 3.755 3.960 0.003 0.000 0.244 765 G HA3 -0.207 3.755 3.960 0.003 0.000 0.244 765 G C 0.200 174.954 174.900 -0.244 0.000 0.982 765 G CA 0.230 44.991 45.100 -0.564 0.000 0.641 765 G HN 0.635 nan 8.290 nan 0.000 0.527 766 Q N -0.649 119.220 119.800 0.114 0.000 2.399 766 Q HA 0.802 5.144 4.340 0.003 0.000 0.276 766 Q C -0.199 175.894 176.000 0.155 0.000 1.098 766 Q CA -0.999 54.910 55.803 0.177 0.000 0.827 766 Q CB 1.862 30.648 28.738 0.081 0.000 1.386 766 Q HN 0.207 nan 8.270 nan 0.000 0.443 767 R N 0.837 121.362 120.500 0.042 0.000 2.771 767 R HA 0.128 4.470 4.340 0.003 0.000 0.274 767 R C -0.367 175.895 176.300 -0.063 0.000 0.987 767 R CA -0.453 55.535 56.100 -0.186 0.000 0.908 767 R CB 1.425 31.430 30.300 -0.492 0.000 1.213 767 R HN 0.810 nan 8.270 nan 0.000 0.468 768 D N -0.481 119.879 120.400 -0.068 0.000 2.348 768 D HA -0.076 4.565 4.640 0.003 0.000 0.216 768 D C -0.014 176.314 176.300 0.045 0.000 0.970 768 D CA 0.742 54.744 54.000 0.004 0.000 0.889 768 D CB 0.306 41.116 40.800 0.017 0.000 0.912 768 D HN 0.253 nan 8.370 nan 0.000 0.524 769 N N -0.387 118.353 118.700 0.067 0.000 2.406 769 N HA 0.122 4.864 4.740 0.003 0.000 0.283 769 N C -2.455 173.154 175.510 0.165 0.000 1.074 769 N CA -1.288 51.827 53.050 0.108 0.000 0.916 769 N CB 2.454 41.031 38.487 0.150 0.000 1.639 769 N HN -0.248 nan 8.380 nan 0.000 0.485 770 P HA 0.018 nan 4.420 nan 0.000 0.237 770 P C -0.087 177.061 177.300 -0.253 0.000 1.178 770 P CA 0.870 63.921 63.100 -0.082 0.000 0.766 770 P CB 0.201 31.736 31.700 -0.275 0.000 0.876 771 H N -0.960 118.159 119.070 0.081 0.000 2.475 771 H HA 0.092 4.649 4.556 0.003 0.000 0.276 771 H C 1.499 176.781 175.328 -0.076 0.000 1.126 771 H CA -0.498 55.512 56.048 -0.063 0.000 1.023 771 H CB -0.555 29.179 29.762 -0.047 0.000 1.669 771 H HN 0.370 nan 8.280 nan 0.000 0.573 772 W N 1.006 122.326 121.300 0.033 0.000 2.359 772 W HA -0.050 4.612 4.660 0.003 0.000 0.275 772 W C -0.203 176.326 176.519 0.016 0.000 1.217 772 W CA 0.894 58.246 57.345 0.013 0.000 1.196 772 W CB -0.590 28.845 29.460 -0.043 0.000 1.129 772 W HN 0.082 nan 8.180 nan 0.000 0.566 773 T N -0.330 113.920 114.554 -0.506 0.000 2.889 773 T HA 0.280 4.632 4.350 0.003 0.000 0.315 773 T C 0.841 175.318 174.700 -0.372 0.000 1.291 773 T CA 0.157 61.995 62.100 -0.435 0.000 1.028 773 T CB 1.457 69.979 68.868 -0.576 0.000 1.235 773 T HN -0.034 nan 8.240 nan 0.000 0.491 774 S N 1.333 116.891 115.700 -0.236 0.000 2.478 774 S HA 0.127 4.598 4.470 0.003 0.000 0.222 774 S C 0.197 174.729 174.600 -0.114 0.000 1.008 774 S CA 0.039 58.152 58.200 -0.145 0.000 0.928 774 S CB -0.286 62.882 63.200 -0.054 0.000 0.781 774 S HN 0.736 nan 8.310 nan 0.000 0.518 775 D N 3.551 123.872 120.400 -0.133 0.000 2.356 775 D HA 0.179 4.821 4.640 0.003 0.000 0.272 775 D C 1.283 177.525 176.300 -0.097 0.000 1.337 775 D CA 0.365 54.306 54.000 -0.097 0.000 0.970 775 D CB 0.846 41.613 40.800 -0.056 0.000 1.092 775 D HN 0.424 nan 8.370 nan 0.000 0.516 776 S N 3.158 118.820 115.700 -0.063 0.000 2.419 776 S HA -0.308 4.164 4.470 0.003 0.000 0.235 776 S C 1.591 176.196 174.600 0.009 0.000 1.019 776 S CA 0.988 59.171 58.200 -0.029 0.000 0.982 776 S CB -0.240 62.951 63.200 -0.016 0.000 0.789 776 S HN 0.611 nan 8.310 nan 0.000 0.490 777 K N 2.149 122.544 120.400 -0.008 0.000 2.002 777 K HA 0.102 4.423 4.320 0.003 0.000 0.209 777 K C 2.399 179.068 176.600 0.115 0.000 1.048 777 K CA 1.260 57.557 56.287 0.016 0.000 0.930 777 K CB -0.898 31.561 32.500 -0.070 0.000 0.714 777 K HN 0.373 nan 8.250 nan 0.000 0.438 778 A N 1.905 124.802 122.820 0.128 0.000 1.933 778 A HA -0.040 4.282 4.320 0.003 0.000 0.218 778 A C 2.273 180.158 177.584 0.502 0.000 1.175 778 A CA 1.183 53.450 52.037 0.382 0.000 0.628 778 A CB -0.697 18.527 19.000 0.373 0.000 0.814 778 A HN 0.288 nan 8.150 nan 0.000 0.444 779 L N -0.639 120.710 121.223 0.211 0.000 2.141 779 L HA -0.204 4.138 4.340 0.003 0.000 0.209 779 L C 2.836 179.895 176.870 0.316 0.000 1.094 779 L CA 0.969 55.955 54.840 0.242 0.000 0.763 779 L CB -0.442 41.631 42.059 0.024 0.000 0.908 779 L HN 0.410 nan 8.230 nan 0.000 0.437 780 Q N -0.137 119.806 119.800 0.239 0.000 2.049 780 Q HA -0.107 4.235 4.340 0.003 0.000 0.198 780 Q C 2.494 178.656 176.000 0.270 0.000 0.971 780 Q CA 1.607 57.530 55.803 0.199 0.000 0.833 780 Q CB -0.465 28.354 28.738 0.135 0.000 0.896 780 Q HN 0.499 nan 8.270 nan 0.000 0.434 781 A N 0.737 123.790 122.820 0.387 0.000 1.908 781 A HA -0.194 4.128 4.320 0.003 0.000 0.218 781 A C 1.947 179.860 177.584 0.549 0.000 1.181 781 A CA 1.413 53.762 52.037 0.521 0.000 0.627 781 A CB -0.857 18.559 19.000 0.694 0.000 0.818 781 A HN 0.330 nan 8.150 nan 0.000 0.445 782 F N 0.233 120.402 119.950 0.366 0.000 2.234 782 F HA -0.132 4.398 4.527 0.004 0.000 0.299 782 F C 2.462 178.268 175.800 0.011 0.000 1.087 782 F CA 1.812 59.758 58.000 -0.090 0.000 1.340 782 F CB -0.153 38.888 39.000 0.069 0.000 1.031 782 F HN 0.196 nan 8.300 nan 0.000 0.500 783 Q N 0.698 120.539 119.800 0.069 0.000 2.079 783 Q HA -0.184 4.158 4.340 0.003 0.000 0.200 783 Q C 2.275 178.226 176.000 -0.081 0.000 0.974 783 Q CA 1.494 57.271 55.803 -0.044 0.000 0.840 783 Q CB -0.288 28.486 28.738 0.060 0.000 0.898 783 Q HN 0.443 nan 8.270 nan 0.000 0.430 784 K N -0.424 119.993 120.400 0.029 0.000 2.057 784 K HA -0.138 4.184 4.320 0.003 0.000 0.207 784 K C 1.991 178.609 176.600 0.031 0.000 1.049 784 K CA 1.011 57.327 56.287 0.048 0.000 0.931 784 K CB -0.289 32.287 32.500 0.127 0.000 0.714 784 K HN 0.083 nan 8.250 nan 0.000 0.440 785 F N 1.498 121.334 119.950 -0.190 0.000 2.095 785 F HA -0.139 4.389 4.527 0.003 0.000 0.298 785 F C 2.076 177.659 175.800 -0.361 0.000 1.104 785 F CA 1.826 59.654 58.000 -0.287 0.000 1.232 785 F CB -1.001 37.664 39.000 -0.558 0.000 0.987 785 F HN 0.006 nan 8.300 nan 0.000 0.475 786 G N 0.114 108.521 108.800 -0.655 0.000 2.418 786 G HA2 -0.309 3.653 3.960 0.003 0.000 0.217 786 G HA3 -0.309 3.653 3.960 0.003 0.000 0.217 786 G C 1.601 176.269 174.900 -0.386 0.000 1.158 786 G CA 0.907 45.615 45.100 -0.653 0.000 0.771 786 G HN 0.356 nan 8.290 nan 0.000 0.545 787 N N 0.643 119.194 118.700 -0.250 0.000 2.120 787 N HA -0.080 4.662 4.740 0.003 0.000 0.188 787 N C 2.040 177.466 175.510 -0.139 0.000 1.024 787 N CA 1.284 54.239 53.050 -0.157 0.000 0.852 787 N CB -0.253 38.178 38.487 -0.093 0.000 1.003 787 N HN 0.263 nan 8.380 nan 0.000 0.424 788 K N 1.359 121.685 120.400 -0.122 0.000 2.057 788 K HA 0.045 4.367 4.320 0.003 0.000 0.207 788 K C 1.930 178.455 176.600 -0.125 0.000 1.049 788 K CA 0.855 57.097 56.287 -0.074 0.000 0.931 788 K CB -0.447 32.061 32.500 0.014 0.000 0.714 788 K HN 0.133 nan 8.250 nan 0.000 0.440 789 L N 0.401 121.478 121.223 -0.243 0.000 2.083 789 L HA -0.166 4.176 4.340 0.003 0.000 0.209 789 L C 2.266 179.014 176.870 -0.204 0.000 1.083 789 L CA 1.483 56.170 54.840 -0.256 0.000 0.752 789 L CB -0.344 41.464 42.059 -0.418 0.000 0.899 789 L HN 0.165 nan 8.230 nan 0.000 0.433 790 K N -0.170 120.108 120.400 -0.203 0.000 2.097 790 K HA -0.219 4.103 4.320 0.003 0.000 0.205 790 K C 2.015 178.529 176.600 -0.143 0.000 1.050 790 K CA 1.299 57.482 56.287 -0.173 0.000 0.938 790 K CB -0.075 32.331 32.500 -0.156 0.000 0.718 790 K HN 0.298 nan 8.250 nan 0.000 0.442 791 E N 1.232 121.362 120.200 -0.117 0.000 2.047 791 E HA -0.163 4.189 4.350 0.003 0.000 0.191 791 E C 1.958 178.507 176.600 -0.086 0.000 0.987 791 E CA 0.933 57.282 56.400 -0.086 0.000 0.799 791 E CB 0.022 29.686 29.700 -0.060 0.000 0.752 791 E HN 0.213 nan 8.360 nan 0.000 0.449 792 I N 0.946 121.466 120.570 -0.084 0.000 2.226 792 I HA -0.265 3.907 4.170 0.003 0.000 0.245 792 I C 2.600 178.640 176.117 -0.130 0.000 1.100 792 I CA 1.343 62.602 61.300 -0.069 0.000 1.374 792 I CB -0.274 37.702 38.000 -0.040 0.000 1.057 792 I HN 0.259 nan 8.210 nan 0.000 0.413 793 E N 1.017 121.101 120.200 -0.195 0.000 2.085 793 E HA -0.267 4.085 4.350 0.003 0.000 0.194 793 E C 2.009 178.398 176.600 -0.350 0.000 0.994 793 E CA 1.403 57.595 56.400 -0.346 0.000 0.801 793 E CB 0.061 29.551 29.700 -0.351 0.000 0.743 793 E HN 0.479 nan 8.360 nan 0.000 0.453 794 E N 0.337 120.408 120.200 -0.215 0.000 2.118 794 E HA -0.217 4.135 4.350 0.003 0.000 0.195 794 E C 2.059 178.586 176.600 -0.122 0.000 0.992 794 E CA 0.977 57.282 56.400 -0.157 0.000 0.804 794 E CB -0.025 29.613 29.700 -0.104 0.000 0.741 794 E HN 0.124 nan 8.360 nan 0.000 0.458 795 K N 0.884 121.223 120.400 -0.101 0.000 2.025 795 K HA -0.112 4.210 4.320 0.003 0.000 0.207 795 K C 2.116 178.691 176.600 -0.041 0.000 1.049 795 K CA 0.835 57.091 56.287 -0.051 0.000 0.933 795 K CB 0.006 32.490 32.500 -0.027 0.000 0.714 795 K HN 0.095 nan 8.250 nan 0.000 0.438 796 L N 0.689 121.861 121.223 -0.085 0.000 2.131 796 L HA -0.153 4.189 4.340 0.003 0.000 0.210 796 L C 2.346 179.231 176.870 0.025 0.000 1.092 796 L CA 0.647 55.481 54.840 -0.011 0.000 0.759 796 L CB -0.389 41.655 42.059 -0.024 0.000 0.903 796 L HN 0.038 nan 8.230 nan 0.000 0.435 797 V N -0.017 119.816 119.914 -0.134 0.000 2.358 797 V HA -0.250 3.872 4.120 0.003 0.000 0.246 797 V C 2.650 178.773 176.094 0.050 0.000 1.047 797 V CA 1.657 63.952 62.300 -0.009 0.000 1.035 797 V CB -0.563 31.201 31.823 -0.098 0.000 0.658 797 V HN 0.423 nan 8.190 nan 0.000 0.452 798 R N -0.366 120.142 120.500 0.013 0.000 2.096 798 R HA -0.113 4.229 4.340 0.003 0.000 0.235 798 R C 2.547 178.879 176.300 0.053 0.000 1.127 798 R CA 1.343 57.460 56.100 0.028 0.000 0.968 798 R CB -0.339 29.967 30.300 0.010 0.000 0.861 798 R HN 0.482 nan 8.270 nan 0.000 0.440 799 R N 0.416 120.956 120.500 0.067 0.000 2.083 799 R HA -0.079 4.263 4.340 0.003 0.000 0.237 799 R C 1.939 178.306 176.300 0.111 0.000 1.137 799 R CA 1.381 57.533 56.100 0.088 0.000 0.951 799 R CB -0.320 30.043 30.300 0.105 0.000 0.851 799 R HN 0.229 nan 8.270 nan 0.000 0.434 800 N N 0.612 119.403 118.700 0.151 0.000 2.289 800 N HA -0.103 4.639 4.740 0.003 0.000 0.184 800 N C 0.976 176.557 175.510 0.118 0.000 1.016 800 N CA 0.939 54.086 53.050 0.161 0.000 0.872 800 N CB -0.210 38.408 38.487 0.218 0.000 0.973 800 N HN 0.250 nan 8.380 nan 0.000 0.433 801 N N 0.727 119.485 118.700 0.097 0.000 2.412 801 N HA -0.063 4.679 4.740 0.003 0.000 0.184 801 N C -0.299 175.246 175.510 0.058 0.000 1.101 801 N CA 0.186 53.280 53.050 0.072 0.000 0.881 801 N CB 0.118 38.641 38.487 0.061 0.000 0.969 801 N HN 0.184 nan 8.380 nan 0.000 0.459 802 D N 1.352 121.788 120.400 0.060 0.000 2.336 802 D HA 0.134 4.776 4.640 0.003 0.000 0.249 802 D C -1.623 174.706 176.300 0.048 0.000 1.213 802 D CA -2.031 51.998 54.000 0.048 0.000 0.870 802 D CB 1.640 42.468 40.800 0.047 0.000 1.076 802 D HN -0.010 nan 8.370 nan 0.000 0.483 803 P HA -0.145 nan 4.420 nan 0.000 0.218 803 P C 1.270 178.591 177.300 0.036 0.000 1.148 803 P CA 1.048 64.171 63.100 0.039 0.000 0.822 803 P CB 0.141 31.861 31.700 0.032 0.000 0.784 804 S N -1.159 114.561 115.700 0.033 0.000 2.474 804 S HA -0.039 4.433 4.470 0.003 0.000 0.235 804 S C 1.505 176.124 174.600 0.031 0.000 0.997 804 S CA 0.810 59.028 58.200 0.029 0.000 0.949 804 S CB -1.217 61.999 63.200 0.026 0.000 0.766 804 S HN 0.131 nan 8.310 nan 0.000 0.517 805 L N 0.711 121.957 121.223 0.039 0.000 2.667 805 L HA 0.272 4.614 4.340 0.003 0.000 0.232 805 L C 2.608 179.509 176.870 0.052 0.000 1.138 805 L CA -0.087 54.779 54.840 0.043 0.000 0.921 805 L CB -0.258 41.833 42.059 0.053 0.000 1.180 805 L HN 0.276 nan 8.230 nan 0.000 0.487 806 Q N 1.473 121.304 119.800 0.051 0.000 2.135 806 Q HA -0.177 4.164 4.340 0.003 0.000 0.204 806 Q C 1.987 178.020 176.000 0.055 0.000 0.981 806 Q CA 2.056 57.894 55.803 0.058 0.000 0.856 806 Q CB -0.105 28.664 28.738 0.051 0.000 0.902 806 Q HN 0.524 nan 8.270 nan 0.000 0.425 807 G N 0.866 109.690 108.800 0.040 0.000 2.476 807 G HA2 -0.285 3.677 3.960 0.003 0.000 0.218 807 G HA3 -0.285 3.677 3.960 0.003 0.000 0.218 807 G C 1.321 176.239 174.900 0.030 0.000 1.164 807 G CA 1.086 46.206 45.100 0.033 0.000 0.768 807 G HN 0.376 nan 8.290 nan 0.000 0.560 808 N N -0.350 118.364 118.700 0.023 0.000 2.432 808 N HA 0.081 4.823 4.740 0.003 0.000 0.174 808 N C 2.238 177.773 175.510 0.040 0.000 1.037 808 N CA 0.178 53.233 53.050 0.008 0.000 0.892 808 N CB -0.067 38.404 38.487 -0.027 0.000 1.049 808 N HN 0.290 nan 8.380 nan 0.000 0.442 809 R N -0.277 120.268 120.500 0.075 0.000 2.161 809 R HA 0.180 4.521 4.340 0.003 0.000 0.213 809 R C 0.819 177.231 176.300 0.188 0.000 1.055 809 R CA 0.695 56.878 56.100 0.139 0.000 0.996 809 R CB 0.249 30.637 30.300 0.146 0.000 0.901 809 R HN 0.090 nan 8.270 nan 0.000 0.456 810 L N -1.633 119.675 121.223 0.141 0.000 2.641 810 L HA 0.318 4.660 4.340 0.003 0.000 0.207 810 L C 0.950 177.896 176.870 0.126 0.000 1.049 810 L CA 0.947 55.872 54.840 0.141 0.000 0.866 810 L CB 0.031 42.155 42.059 0.108 0.000 1.264 810 L HN 0.294 nan 8.230 nan 0.000 0.483 811 G N 0.535 109.393 108.800 0.098 0.000 2.804 811 G HA2 -0.220 3.742 3.960 0.003 0.000 0.230 811 G HA3 -0.220 3.742 3.960 0.003 0.000 0.230 811 G C -1.954 172.992 174.900 0.076 0.000 1.386 811 G CA -0.119 45.032 45.100 0.086 0.000 0.875 811 G HN 0.128 nan 8.290 nan 0.000 0.557 812 P HA -0.049 nan 4.420 nan 0.000 0.226 812 P C 1.899 179.234 177.300 0.059 0.000 1.153 812 P CA 2.158 65.290 63.100 0.053 0.000 0.777 812 P CB -0.264 31.461 31.700 0.042 0.000 0.794 813 V N -4.306 115.657 119.914 0.083 0.000 3.217 813 V HA 0.006 4.128 4.120 0.003 0.000 0.264 813 V C 0.772 176.899 176.094 0.056 0.000 1.135 813 V CA 0.416 62.763 62.300 0.079 0.000 1.142 813 V CB -1.405 30.486 31.823 0.113 0.000 0.754 813 V HN 0.006 nan 8.190 nan 0.000 0.484 814 Q N -0.249 119.590 119.800 0.065 0.000 2.452 814 Q HA -0.203 4.139 4.340 0.003 0.000 0.318 814 Q C -0.457 175.576 176.000 0.056 0.000 1.386 814 Q CA 0.908 56.746 55.803 0.060 0.000 0.872 814 Q CB -1.581 27.182 28.738 0.043 0.000 1.151 814 Q HN 0.685 nan 8.270 nan 0.000 0.417 815 L N 0.705 121.973 121.223 0.075 0.000 2.337 815 L HA 0.481 4.823 4.340 0.003 0.000 0.269 815 L C -2.418 174.547 176.870 0.158 0.000 1.018 815 L CA -1.804 53.065 54.840 0.049 0.000 0.876 815 L CB 1.394 43.406 42.059 -0.079 0.000 1.236 815 L HN -0.176 nan 8.230 nan 0.000 0.436 816 P HA -0.046 nan 4.420 nan 0.000 0.263 816 P C -1.316 176.144 177.300 0.266 0.000 1.195 816 P CA 0.266 63.480 63.100 0.189 0.000 0.762 816 P CB -0.005 31.768 31.700 0.122 0.000 0.799 817 Y N 3.805 124.201 120.300 0.160 0.000 2.680 817 Y HA 0.088 4.640 4.550 0.003 0.000 0.356 817 Y C 1.169 177.001 175.900 -0.112 0.000 1.122 817 Y CA 0.701 58.870 58.100 0.114 0.000 1.509 817 Y CB -0.249 38.297 38.460 0.142 0.000 1.245 817 Y HN 0.362 nan 8.280 nan 0.000 0.513 818 T N 1.471 115.586 114.554 -0.731 0.000 3.084 818 T HA 0.121 4.473 4.350 0.003 0.000 0.270 818 T C 1.478 175.584 174.700 -0.990 0.000 1.008 818 T CA -0.106 61.352 62.100 -1.070 0.000 0.900 818 T CB -0.259 67.918 68.868 -1.153 0.000 1.084 818 T HN 0.642 nan 8.240 nan 0.000 0.538 819 L N 0.296 120.757 121.223 -1.270 0.000 2.261 819 L HA 0.143 4.485 4.340 0.003 0.000 0.216 819 L C 1.825 178.473 176.870 -0.370 0.000 1.114 819 L CA 1.224 55.541 54.840 -0.871 0.000 0.777 819 L CB -0.269 41.271 42.059 -0.865 0.000 0.910 819 L HN 0.359 nan 8.230 nan 0.000 0.440 820 L N -1.568 119.503 121.223 -0.254 0.000 2.700 820 L HA 0.111 4.452 4.340 0.003 0.000 0.234 820 L C -0.185 176.766 176.870 0.134 0.000 1.156 820 L CA -0.544 54.314 54.840 0.031 0.000 0.946 820 L CB 0.036 42.192 42.059 0.161 0.000 1.216 820 L HN 0.030 nan 8.230 nan 0.000 0.493 821 Y N 1.098 121.315 120.300 -0.139 0.000 2.544 821 Y HA 0.086 4.638 4.550 0.003 0.000 0.330 821 Y C -1.240 174.579 175.900 -0.136 0.000 1.136 821 Y CA -2.633 55.393 58.100 -0.123 0.000 1.417 821 Y CB 0.224 38.596 38.460 -0.146 0.000 1.229 821 Y HN -0.050 nan 8.280 nan 0.000 0.532 822 P HA -0.116 nan 4.420 nan 0.000 0.218 822 P C -0.038 177.151 177.300 -0.186 0.000 1.148 822 P CA 1.463 64.515 63.100 -0.081 0.000 0.822 822 P CB 0.272 31.891 31.700 -0.135 0.000 0.784 823 S N -2.353 113.198 115.700 -0.248 0.000 2.681 823 S HA 0.714 5.186 4.470 0.003 0.000 0.299 823 S C -0.242 174.064 174.600 -0.490 0.000 1.113 823 S CA -0.525 57.393 58.200 -0.471 0.000 1.013 823 S CB 1.745 64.735 63.200 -0.349 0.000 1.076 823 S HN -0.013 nan 8.310 nan 0.000 0.534 824 S N -0.068 115.179 115.700 -0.756 0.000 2.565 824 S HA 0.383 4.855 4.470 0.003 0.000 0.274 824 S C -1.638 172.714 174.600 -0.413 0.000 1.144 824 S CA -0.691 57.208 58.200 -0.502 0.000 0.849 824 S CB 1.192 64.093 63.200 -0.499 0.000 1.103 824 S HN 0.769 nan 8.310 nan 0.000 0.455 825 E N 1.742 121.842 120.200 -0.166 0.000 2.359 825 E HA 0.278 4.629 4.350 0.003 0.000 0.255 825 E C 0.073 176.689 176.600 0.026 0.000 1.191 825 E CA -0.596 55.769 56.400 -0.059 0.000 0.952 825 E CB 0.288 29.979 29.700 -0.016 0.000 1.152 825 E HN 0.776 nan 8.360 nan 0.000 0.496 826 E N 0.274 120.520 120.200 0.076 0.000 2.408 826 E HA 0.337 4.689 4.350 0.003 0.000 0.259 826 E C 0.577 177.261 176.600 0.141 0.000 1.110 826 E CA -0.046 56.434 56.400 0.134 0.000 0.929 826 E CB 0.537 30.296 29.700 0.098 0.000 0.971 826 E HN 0.600 nan 8.360 nan 0.000 0.438 827 G N 0.450 109.352 108.800 0.170 0.000 2.466 827 G HA2 -0.173 3.789 3.960 0.003 0.000 0.316 827 G HA3 -0.173 3.789 3.960 0.003 0.000 0.316 827 G C -0.968 174.020 174.900 0.147 0.000 1.270 827 G CA -0.333 44.844 45.100 0.128 0.000 0.982 827 G HN 0.620 nan 8.290 nan 0.000 0.506 828 L N 2.142 123.436 121.223 0.119 0.000 2.422 828 L HA 0.438 4.780 4.340 0.003 0.000 0.256 828 L C 2.078 179.090 176.870 0.237 0.000 1.202 828 L CA 0.495 55.426 54.840 0.152 0.000 1.119 828 L CB -0.011 42.105 42.059 0.095 0.000 1.383 828 L HN 0.961 nan 8.230 nan 0.000 0.411 829 T N -0.804 113.885 114.554 0.224 0.000 3.057 829 T HA -0.018 4.334 4.350 0.003 0.000 0.254 829 T C 0.954 175.761 174.700 0.177 0.000 1.094 829 T CA -0.053 62.177 62.100 0.217 0.000 1.088 829 T CB -0.087 68.884 68.868 0.171 0.000 0.934 829 T HN 0.436 nan 8.240 nan 0.000 0.497 830 F N 2.369 122.259 119.950 -0.101 0.000 2.988 830 F HA -0.239 4.289 4.527 0.003 0.000 0.287 830 F C 0.131 175.799 175.800 -0.221 0.000 0.781 830 F CA 0.815 58.656 58.000 -0.264 0.000 1.221 830 F CB -1.406 37.178 39.000 -0.692 0.000 1.392 830 F HN 0.720 nan 8.300 nan 0.000 0.425 831 R N -0.220 120.185 120.500 -0.158 0.000 2.733 831 R HA 0.735 5.077 4.340 0.003 0.000 0.272 831 R C 0.072 176.312 176.300 -0.100 0.000 1.029 831 R CA -0.857 55.101 56.100 -0.238 0.000 0.888 831 R CB 1.337 31.479 30.300 -0.263 0.000 1.251 831 R HN 1.326 nan 8.270 nan 0.000 0.464 832 G N 0.893 109.610 108.800 -0.138 0.000 3.209 832 G HA2 0.009 3.971 3.960 0.003 0.000 0.686 832 G HA3 0.009 3.971 3.960 0.003 0.000 0.686 832 G C -0.890 173.994 174.900 -0.027 0.000 1.065 832 G CA -0.631 44.350 45.100 -0.198 0.000 0.812 832 G HN 0.534 nan 8.290 nan 0.000 0.573 833 I N 4.213 124.837 120.570 0.091 0.000 2.359 833 I HA 0.275 4.447 4.170 0.003 0.000 0.284 833 I C -2.073 174.196 176.117 0.253 0.000 1.018 833 I CA -2.211 59.188 61.300 0.166 0.000 1.173 833 I CB 2.060 40.131 38.000 0.118 0.000 1.326 833 I HN 0.188 nan 8.210 nan 0.000 0.462 834 P HA 0.175 nan 4.420 nan 0.000 0.274 834 P C 0.283 177.657 177.300 0.122 0.000 1.246 834 P CA -0.337 62.777 63.100 0.023 0.000 0.795 834 P CB 0.731 32.478 31.700 0.077 0.000 1.006 835 N N -0.928 117.806 118.700 0.056 0.000 2.309 835 N HA -0.044 4.698 4.740 0.003 0.000 0.182 835 N C 0.637 176.278 175.510 0.218 0.000 1.018 835 N CA 0.997 54.125 53.050 0.130 0.000 0.876 835 N CB -0.123 38.281 38.487 -0.139 0.000 0.972 835 N HN 0.511 nan 8.380 nan 0.000 0.434 836 S N -1.141 114.631 115.700 0.120 0.000 2.806 836 S HA 0.531 5.003 4.470 0.003 0.000 0.306 836 S C -0.290 174.323 174.600 0.020 0.000 1.167 836 S CA -0.837 57.429 58.200 0.110 0.000 0.847 836 S CB 1.227 64.474 63.200 0.079 0.000 1.216 836 S HN -0.011 nan 8.310 nan 0.000 0.532 837 I N 2.917 123.398 120.570 -0.149 0.000 2.243 837 I HA 0.163 4.335 4.170 0.003 0.000 0.297 837 I C 1.025 176.990 176.117 -0.252 0.000 1.161 837 I CA -0.205 60.740 61.300 -0.592 0.000 1.298 837 I CB 0.400 37.956 38.000 -0.740 0.000 1.475 837 I HN 0.809 nan 8.210 nan 0.000 0.561 838 S N 4.724 120.396 115.700 -0.047 0.000 2.540 838 S HA 0.334 4.806 4.470 0.003 0.000 0.218 838 S C 0.179 174.878 174.600 0.165 0.000 0.977 838 S CA -0.229 58.024 58.200 0.088 0.000 0.918 838 S CB 0.262 63.537 63.200 0.126 0.000 0.806 838 S HN 0.461 nan 8.310 nan 0.000 0.496 839 I N 0.000 120.700 120.570 0.216 0.000 2.984 839 I HA 0.000 4.172 4.170 0.003 0.000 0.288 839 I CA 0.000 61.461 61.300 0.269 0.000 1.566 839 I CB 0.000 38.148 38.000 0.246 0.000 1.214 839 I HN 0.000 nan 8.210 nan 0.000 0.494