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 2df7_1_R DATA FIRST_RESID 12 DATA SEQUENCE VPFIRSLLMP TTGPASIPDD TLEKHTLRSE TSTYNLTVGD TGSGLIVFFP DATA SEQUENCE GFPGSIVGAH YTLQSNGNYK FDQMLLTAQN LPASYNYCRL VSRSLTVRSS DATA SEQUENCE TLPXXXXXLN GTINAVTFQG SLSELTDVSY NGLMSATANI NDKIGNVLVG DATA SEQUENCE EGVTVLSLPT SYDLGYVRLG DPIPAIGLDP KMVATCDSSD RPRVYTITAA DATA SEQUENCE DDYQFSSQYQ SGGVTITLFS ANIDAITSLS IGGELVFHTS VHGLALDATI DATA SEQUENCE YLIGFDGTTV ITRAVASDNG LTTGIDNLMP FNLVIPTNEI TQPITSIKLE DATA SEQUENCE IVTSKSGGQA GDQMSWSASG SLAVTIHGGN YPGALRPVTL VAYERVATGS DATA SEQUENCE VVTVAGVSNF ELIPNPELAK NLVTEYGRFD PGAMNYTKLI LSERERLGIK DATA SEQUENCE TVWPTREYTD FREYFM 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 12 V HA 0.000 nan 4.120 nan 0.000 0.244 12 V C 0.000 176.172 176.094 0.129 0.000 1.182 12 V CA 0.000 62.344 62.300 0.073 0.000 1.235 12 V CB 0.000 31.900 31.823 0.129 0.000 1.184 13 P HA -0.212 nan 4.420 nan 0.000 0.217 13 P C 1.590 178.947 177.300 0.094 0.000 1.158 13 P CA 1.504 64.660 63.100 0.094 0.000 0.887 13 P CB 0.172 31.927 31.700 0.093 0.000 0.792 14 F N 0.248 120.232 119.950 0.056 0.000 2.126 14 F HA -0.188 4.339 4.527 -0.001 0.000 0.299 14 F C 2.006 177.851 175.800 0.073 0.000 1.096 14 F CA 1.369 59.396 58.000 0.045 0.000 1.255 14 F CB -0.688 38.319 39.000 0.012 0.000 0.997 14 F HN -0.245 nan 8.300 nan 0.000 0.479 15 I N 0.495 121.067 120.570 0.003 0.000 2.226 15 I HA -0.282 3.888 4.170 -0.001 0.000 0.245 15 I C 2.534 178.609 176.117 -0.069 0.000 1.100 15 I CA 1.551 62.868 61.300 0.029 0.000 1.374 15 I CB -1.522 36.699 38.000 0.367 0.000 1.057 15 I HN 0.216 nan 8.210 nan 0.000 0.413 16 R N 0.697 121.191 120.500 -0.010 0.000 2.073 16 R HA -0.171 4.168 4.340 -0.001 0.000 0.234 16 R C 2.618 178.799 176.300 -0.198 0.000 1.134 16 R CA 2.015 58.058 56.100 -0.097 0.000 0.952 16 R CB -0.236 30.076 30.300 0.021 0.000 0.850 16 R HN 0.232 nan 8.270 nan 0.000 0.433 17 S N 0.144 115.714 115.700 -0.216 0.000 2.368 17 S HA -0.126 4.344 4.470 -0.001 0.000 0.225 17 S C 1.871 176.290 174.600 -0.302 0.000 1.030 17 S CA 1.202 59.261 58.200 -0.234 0.000 0.999 17 S CB -0.320 62.745 63.200 -0.226 0.000 0.844 17 S HN 0.374 nan 8.310 nan 0.000 0.459 18 L N 1.512 122.442 121.223 -0.488 0.000 2.017 18 L HA 0.081 4.421 4.340 -0.001 0.000 0.208 18 L C 2.002 178.775 176.870 -0.161 0.000 1.073 18 L CA 1.869 56.487 54.840 -0.370 0.000 0.745 18 L CB -0.550 41.231 42.059 -0.463 0.000 0.894 18 L HN 0.404 nan 8.230 nan 0.000 0.432 19 L N -1.598 119.533 121.223 -0.154 0.000 2.375 19 L HA 0.065 4.405 4.340 -0.001 0.000 0.215 19 L C 0.695 177.545 176.870 -0.034 0.000 1.108 19 L CA 0.313 55.125 54.840 -0.046 0.000 0.830 19 L CB -0.064 41.957 42.059 -0.063 0.000 0.959 19 L HN 0.250 nan 8.230 nan 0.000 0.457 20 M N -0.641 118.877 119.600 -0.137 0.000 2.353 20 M HA 0.236 4.715 4.480 -0.001 0.000 0.218 20 M C -1.981 174.271 176.300 -0.081 0.000 1.044 20 M CA -1.252 53.998 55.300 -0.082 0.000 0.615 20 M CB 1.679 34.168 32.600 -0.185 0.000 1.531 20 M HN -0.263 nan 8.290 nan 0.000 0.378 21 P HA -0.175 nan 4.420 nan 0.000 0.217 21 P C 1.281 178.546 177.300 -0.060 0.000 1.148 21 P CA 1.592 64.641 63.100 -0.085 0.000 0.828 21 P CB -0.183 31.457 31.700 -0.099 0.000 0.783 22 T N -4.286 110.246 114.554 -0.037 0.000 3.051 22 T HA -0.112 4.238 4.350 -0.001 0.000 0.269 22 T C 1.501 176.188 174.700 -0.022 0.000 1.127 22 T CA 1.583 63.669 62.100 -0.022 0.000 1.107 22 T CB -1.533 67.331 68.868 -0.007 0.000 0.898 22 T HN 0.243 nan 8.240 nan 0.000 0.517 23 T N -1.753 112.780 114.554 -0.035 0.000 3.113 23 T HA 0.503 4.852 4.350 -0.001 0.000 0.256 23 T C 1.119 175.809 174.700 -0.017 0.000 1.131 23 T CA 0.173 62.256 62.100 -0.028 0.000 1.074 23 T CB -0.396 68.448 68.868 -0.040 0.000 0.944 23 T HN 1.036 nan 8.240 nan 0.000 0.516 24 G N 1.572 110.360 108.800 -0.020 0.000 2.381 24 G HA2 0.237 4.197 3.960 -0.001 0.000 0.672 24 G HA3 0.237 4.197 3.960 -0.001 0.000 0.672 24 G C -3.391 171.503 174.900 -0.010 0.000 1.324 24 G CA -0.634 44.464 45.100 -0.004 0.000 0.975 24 G HN 0.289 nan 8.290 nan 0.000 0.593 25 P HA 0.719 nan 4.420 nan 0.000 0.280 25 P C -0.393 176.952 177.300 0.075 0.000 1.272 25 P CA 0.305 63.428 63.100 0.038 0.000 0.819 25 P CB 2.090 33.830 31.700 0.067 0.000 1.122 26 A N 0.236 123.135 122.820 0.131 0.000 2.612 26 A HA 0.558 4.877 4.320 -0.001 0.000 0.293 26 A C -0.605 177.151 177.584 0.286 0.000 1.075 26 A CA -0.524 51.633 52.037 0.200 0.000 0.680 26 A CB 0.686 19.811 19.000 0.209 0.000 1.279 26 A HN 0.373 nan 8.150 nan 0.000 0.411 27 S N 0.584 116.446 115.700 0.271 0.000 2.565 27 S HA 0.444 4.914 4.470 -0.001 0.000 0.276 27 S C 0.250 174.879 174.600 0.049 0.000 1.326 27 S CA -0.238 58.100 58.200 0.231 0.000 1.045 27 S CB 0.216 63.594 63.200 0.296 0.000 0.918 27 S HN 0.458 nan 8.310 nan 0.000 0.505 28 I N 5.108 125.577 120.570 -0.168 0.000 2.533 28 I HA 0.124 4.294 4.170 -0.001 0.000 0.284 28 I C -1.416 174.376 176.117 -0.540 0.000 1.109 28 I CA -1.528 59.346 61.300 -0.710 0.000 1.412 28 I CB 0.582 38.252 38.000 -0.550 0.000 1.396 28 I HN 0.440 nan 8.210 nan 0.000 0.543 29 P HA 0.043 nan 4.420 nan 0.000 0.237 29 P C -0.914 176.242 177.300 -0.240 0.000 1.723 29 P CA -0.133 62.776 63.100 -0.318 0.000 0.882 29 P CB -0.420 31.118 31.700 -0.271 0.000 1.810 30 D N -0.776 119.487 120.400 -0.227 0.000 2.509 30 D HA 0.118 4.758 4.640 -0.001 0.000 0.275 30 D C 0.446 176.730 176.300 -0.026 0.000 1.189 30 D CA -0.285 53.643 54.000 -0.120 0.000 1.098 30 D CB -0.160 40.569 40.800 -0.118 0.000 1.177 30 D HN -0.216 nan 8.370 nan 0.000 0.599 31 D N -1.391 119.010 120.400 0.002 0.000 2.363 31 D HA 0.075 4.714 4.640 -0.001 0.000 0.214 31 D C -0.088 176.238 176.300 0.043 0.000 1.093 31 D CA 0.234 54.247 54.000 0.021 0.000 0.837 31 D CB 0.166 40.976 40.800 0.018 0.000 0.948 31 D HN 0.247 nan 8.370 nan 0.000 0.507 32 T N 1.983 116.571 114.554 0.057 0.000 4.104 32 T HA 0.203 4.552 4.350 -0.001 0.000 0.285 32 T C 0.906 175.699 174.700 0.155 0.000 1.346 32 T CA -0.162 62.002 62.100 0.107 0.000 1.158 32 T CB -0.299 68.642 68.868 0.121 0.000 1.290 32 T HN 0.018 nan 8.240 nan 0.000 0.975 33 L N 3.543 124.856 121.223 0.149 0.000 2.462 33 L HA 0.255 4.594 4.340 -0.001 0.000 0.283 33 L C 0.782 177.854 176.870 0.337 0.000 1.166 33 L CA 0.185 55.174 54.840 0.248 0.000 0.964 33 L CB -0.187 41.958 42.059 0.143 0.000 1.294 33 L HN 0.416 nan 8.230 nan 0.000 0.449 34 E N 2.895 123.251 120.200 0.260 0.000 2.256 34 E HA 0.351 4.700 4.350 -0.001 0.000 0.267 34 E C -0.757 175.791 176.600 -0.087 0.000 0.892 34 E CA -1.050 55.356 56.400 0.010 0.000 0.775 34 E CB 2.449 31.957 29.700 -0.320 0.000 1.207 34 E HN 0.333 nan 8.360 nan 0.000 0.420 35 K N 3.381 123.507 120.400 -0.457 0.000 2.379 35 K HA 0.101 4.421 4.320 -0.001 0.000 0.284 35 K C 0.122 176.636 176.600 -0.143 0.000 1.044 35 K CA 0.164 56.140 56.287 -0.519 0.000 0.974 35 K CB 0.241 32.410 32.500 -0.551 0.000 0.962 35 K HN 0.541 nan 8.250 nan 0.000 0.474 36 H N -0.267 118.724 119.070 -0.131 0.000 3.015 36 H HA 0.479 5.034 4.556 -0.001 0.000 0.282 36 H C -1.148 174.208 175.328 0.047 0.000 1.508 36 H CA -0.786 55.261 56.048 -0.001 0.000 1.209 36 H CB 1.856 31.704 29.762 0.143 0.000 1.869 36 H HN 0.469 nan 8.280 nan 0.000 0.591 37 T N 0.314 114.949 114.554 0.135 0.000 2.906 37 T HA 0.585 4.935 4.350 -0.001 0.000 0.295 37 T C -1.112 173.712 174.700 0.205 0.000 1.075 37 T CA -0.740 61.405 62.100 0.074 0.000 1.005 37 T CB 1.156 70.099 68.868 0.126 0.000 1.136 37 T HN 0.427 nan 8.240 nan 0.000 0.498 38 L N 3.731 125.044 121.223 0.149 0.000 2.329 38 L HA 0.766 5.106 4.340 -0.001 0.000 0.279 38 L C 0.107 177.057 176.870 0.134 0.000 1.014 38 L CA -1.033 53.915 54.840 0.180 0.000 0.814 38 L CB 1.491 43.649 42.059 0.164 0.000 1.257 38 L HN 0.437 nan 8.230 nan 0.000 0.424 39 R N 1.272 121.862 120.500 0.150 0.000 2.774 39 R HA 0.616 4.955 4.340 -0.001 0.000 0.272 39 R C -1.408 175.006 176.300 0.191 0.000 1.000 39 R CA -0.902 55.288 56.100 0.149 0.000 0.906 39 R CB 2.371 32.732 30.300 0.101 0.000 1.227 39 R HN 0.487 nan 8.270 nan 0.000 0.468 40 S N 1.208 117.003 115.700 0.158 0.000 2.502 40 S HA 0.455 4.925 4.470 -0.001 0.000 0.304 40 S C -0.883 173.826 174.600 0.182 0.000 1.097 40 S CA -0.738 57.543 58.200 0.136 0.000 1.045 40 S CB 1.904 65.147 63.200 0.072 0.000 1.019 40 S HN 0.237 nan 8.310 nan 0.000 0.481 41 E N 2.399 122.743 120.200 0.240 0.000 2.210 41 E HA 0.376 4.725 4.350 -0.001 0.000 0.266 41 E C -0.167 176.533 176.600 0.166 0.000 0.883 41 E CA -0.467 56.073 56.400 0.233 0.000 0.761 41 E CB 1.987 31.898 29.700 0.351 0.000 1.156 41 E HN 0.713 nan 8.360 nan 0.000 0.412 42 T N -0.746 113.879 114.554 0.120 0.000 2.874 42 T HA 0.560 4.910 4.350 -0.001 0.000 0.281 42 T C 0.260 175.028 174.700 0.114 0.000 0.994 42 T CA -0.621 61.534 62.100 0.091 0.000 1.015 42 T CB 1.111 70.011 68.868 0.055 0.000 1.028 42 T HN 0.117 nan 8.240 nan 0.000 0.523 43 S N 0.934 116.703 115.700 0.116 0.000 2.594 43 S HA 0.699 5.168 4.470 -0.001 0.000 0.296 43 S C -0.661 174.014 174.600 0.126 0.000 1.124 43 S CA -0.862 57.446 58.200 0.180 0.000 1.011 43 S CB 1.477 64.841 63.200 0.274 0.000 1.016 43 S HN 1.135 nan 8.310 nan 0.000 0.485 44 T N 1.264 115.802 114.554 -0.027 0.000 3.011 44 T HA 0.741 5.091 4.350 -0.001 0.000 0.303 44 T C -1.472 172.970 174.700 -0.431 0.000 0.997 44 T CA -0.514 61.525 62.100 -0.101 0.000 1.007 44 T CB 0.596 69.396 68.868 -0.113 0.000 1.017 44 T HN 0.395 nan 8.240 nan 0.000 0.443 45 Y N 1.210 121.521 120.300 0.017 0.000 2.534 45 Y HA 0.593 5.143 4.550 -0.001 0.000 0.345 45 Y C -0.279 175.603 175.900 -0.029 0.000 1.031 45 Y CA -1.252 56.844 58.100 -0.006 0.000 1.022 45 Y CB 2.449 40.901 38.460 -0.014 0.000 1.292 45 Y HN 0.599 nan 8.280 nan 0.000 0.459 46 N N 3.394 122.145 118.700 0.085 0.000 2.696 46 N HA 0.383 5.123 4.740 -0.001 0.000 0.246 46 N C -1.385 174.135 175.510 0.016 0.000 1.057 46 N CA -0.286 52.778 53.050 0.024 0.000 0.867 46 N CB 1.102 39.588 38.487 -0.002 0.000 1.141 46 N HN 0.543 nan 8.380 nan 0.000 0.517 47 L N 0.953 122.151 121.223 -0.041 0.000 2.350 47 L HA 0.389 4.728 4.340 -0.001 0.000 0.275 47 L C 0.841 177.675 176.870 -0.060 0.000 1.099 47 L CA -0.180 54.599 54.840 -0.103 0.000 0.808 47 L CB 0.840 42.660 42.059 -0.399 0.000 1.149 47 L HN 0.161 nan 8.230 nan 0.000 0.442 48 T N 1.927 116.495 114.554 0.024 0.000 2.837 48 T HA 0.344 4.694 4.350 -0.001 0.000 0.285 48 T C -0.008 174.753 174.700 0.102 0.000 0.984 48 T CA -0.451 61.672 62.100 0.038 0.000 1.049 48 T CB 1.640 70.533 68.868 0.041 0.000 0.947 48 T HN 0.205 nan 8.240 nan 0.000 0.472 49 V N 3.516 123.461 119.914 0.052 0.000 2.530 49 V HA 0.460 4.580 4.120 -0.001 0.000 0.282 49 V C 1.248 177.410 176.094 0.113 0.000 1.048 49 V CA -0.498 61.866 62.300 0.108 0.000 0.997 49 V CB 0.943 32.779 31.823 0.022 0.000 0.987 49 V HN 1.028 nan 8.190 nan 0.000 0.477 50 G N 2.799 111.689 108.800 0.150 0.000 2.611 50 G HA2 0.124 4.083 3.960 -0.001 0.000 0.273 50 G HA3 0.124 4.083 3.960 -0.001 0.000 0.273 50 G C 0.730 175.669 174.900 0.065 0.000 1.305 50 G CA 0.203 45.356 45.100 0.089 0.000 1.010 50 G HN 0.831 nan 8.290 nan 0.000 0.509 51 D N -1.649 118.773 120.400 0.037 0.000 2.348 51 D HA -0.151 4.488 4.640 -0.001 0.000 0.216 51 D C 1.981 178.291 176.300 0.017 0.000 0.970 51 D CA 1.431 55.445 54.000 0.023 0.000 0.889 51 D CB -0.402 40.404 40.800 0.010 0.000 0.912 51 D HN 0.439 nan 8.370 nan 0.000 0.524 52 T N -3.641 110.923 114.554 0.017 0.000 3.081 52 T HA 0.307 4.656 4.350 -0.001 0.000 0.255 52 T C 1.776 176.491 174.700 0.024 0.000 1.113 52 T CA 0.698 62.798 62.100 -0.000 0.000 1.082 52 T CB -0.115 68.734 68.868 -0.033 0.000 0.939 52 T HN 0.302 nan 8.240 nan 0.000 0.506 53 G N 0.536 109.382 108.800 0.076 0.000 2.155 53 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.257 53 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.257 53 G C 0.083 175.112 174.900 0.216 0.000 0.983 53 G CA 0.224 45.399 45.100 0.126 0.000 0.676 53 G HN 0.825 nan 8.290 nan 0.000 0.528 54 S N -0.919 114.872 115.700 0.152 0.000 2.542 54 S HA 0.916 5.386 4.470 -0.001 0.000 0.293 54 S C 0.354 174.853 174.600 -0.169 0.000 1.089 54 S CA 0.032 58.228 58.200 -0.007 0.000 0.961 54 S CB 2.419 65.561 63.200 -0.096 0.000 1.062 54 S HN 1.627 nan 8.310 nan 0.000 0.483 55 G N 0.310 108.620 108.800 -0.818 0.000 2.600 55 G HA2 0.648 4.608 3.960 -0.001 0.000 0.293 55 G HA3 0.648 4.608 3.960 -0.001 0.000 0.293 55 G C -2.459 172.138 174.900 -0.506 0.000 1.408 55 G CA -0.557 44.181 45.100 -0.604 0.000 0.782 55 G HN 0.657 nan 8.290 nan 0.000 0.482 56 L N -0.227 120.985 121.223 -0.018 0.000 2.464 56 L HA 0.780 5.120 4.340 -0.001 0.000 0.266 56 L C -1.364 175.599 176.870 0.155 0.000 0.965 56 L CA -0.586 54.279 54.840 0.041 0.000 0.833 56 L CB 1.830 43.859 42.059 -0.051 0.000 1.296 56 L HN 0.501 nan 8.230 nan 0.000 0.405 57 I N 5.144 125.740 120.570 0.043 0.000 2.378 57 I HA 0.484 4.654 4.170 -0.001 0.000 0.291 57 I C -0.711 175.204 176.117 -0.337 0.000 0.992 57 I CA -0.837 60.377 61.300 -0.144 0.000 1.154 57 I CB 1.965 39.745 38.000 -0.367 0.000 1.315 57 I HN 0.270 nan 8.210 nan 0.000 0.448 58 V N 7.186 126.869 119.914 -0.384 0.000 2.350 58 V HA 0.367 4.487 4.120 -0.001 0.000 0.276 58 V C -0.314 175.340 176.094 -0.734 0.000 1.028 58 V CA -0.408 61.596 62.300 -0.495 0.000 0.860 58 V CB 0.718 32.264 31.823 -0.460 0.000 0.990 58 V HN 0.400 nan 8.190 nan 0.000 0.453 59 F N 4.047 123.709 119.950 -0.481 0.000 2.422 59 F HA 0.564 5.091 4.527 -0.000 0.000 0.333 59 F C 0.073 175.502 175.800 -0.619 0.000 1.095 59 F CA -0.583 57.145 58.000 -0.452 0.000 1.038 59 F CB 1.671 40.565 39.000 -0.177 0.000 1.156 59 F HN 0.376 nan 8.300 nan 0.000 0.483 60 F N 3.973 124.086 119.950 0.272 0.000 2.366 60 F HA 0.253 4.780 4.527 -0.001 0.000 0.328 60 F C -1.482 174.459 175.800 0.235 0.000 1.180 60 F CA -1.845 56.292 58.000 0.228 0.000 1.232 60 F CB -0.004 39.133 39.000 0.229 0.000 1.513 60 F HN 0.288 nan 8.300 nan 0.000 0.540 61 P HA -0.217 nan 4.420 nan 0.000 0.218 61 P C 1.421 178.818 177.300 0.162 0.000 1.154 61 P CA 1.767 64.944 63.100 0.128 0.000 0.872 61 P CB 0.252 31.979 31.700 0.045 0.000 0.790 62 G N -1.953 106.968 108.800 0.201 0.000 3.284 62 G HA2 0.052 4.011 3.960 -0.001 0.000 0.236 62 G HA3 0.052 4.011 3.960 -0.001 0.000 0.236 62 G C -0.092 174.954 174.900 0.244 0.000 1.158 62 G CA -0.489 44.716 45.100 0.175 0.000 0.774 62 G HN 0.154 nan 8.290 nan 0.000 0.545 63 F N 3.057 123.141 119.950 0.223 0.000 2.571 63 F HA 0.233 4.759 4.527 -0.001 0.000 0.384 63 F C -1.427 174.512 175.800 0.233 0.000 1.058 63 F CA -2.306 55.825 58.000 0.218 0.000 1.200 63 F CB 1.040 40.175 39.000 0.226 0.000 1.077 63 F HN -0.019 nan 8.300 nan 0.000 0.558 64 P HA 0.310 nan 4.420 nan 0.000 0.231 64 P C -0.109 177.117 177.300 -0.122 0.000 1.811 64 P CA 0.331 63.347 63.100 -0.141 0.000 1.051 64 P CB 0.186 31.721 31.700 -0.274 0.000 1.951 65 G N 0.261 109.250 108.800 0.315 0.000 2.367 65 G HA2 0.020 3.980 3.960 -0.001 0.000 0.272 65 G HA3 0.020 3.980 3.960 -0.001 0.000 0.272 65 G C 0.281 175.424 174.900 0.404 0.000 1.271 65 G CA -0.351 44.901 45.100 0.253 0.000 0.893 65 G HN -0.066 nan 8.290 nan 0.000 0.485 66 S N -0.388 115.457 115.700 0.242 0.000 2.562 66 S HA 0.219 4.689 4.470 -0.001 0.000 0.221 66 S C 1.036 175.713 174.600 0.128 0.000 0.975 66 S CA 0.185 58.492 58.200 0.179 0.000 0.918 66 S CB -0.282 62.974 63.200 0.093 0.000 0.772 66 S HN 0.340 nan 8.310 nan 0.000 0.531 67 I N 1.686 122.212 120.570 -0.073 0.000 2.322 67 I HA 0.116 4.286 4.170 -0.001 0.000 0.292 67 I C 0.826 176.891 176.117 -0.085 0.000 1.060 67 I CA -0.163 60.940 61.300 -0.328 0.000 1.309 67 I CB 1.256 38.637 38.000 -1.030 0.000 1.415 67 I HN -0.032 nan 8.210 nan 0.000 0.492 68 V N 5.639 125.639 119.914 0.143 0.000 2.949 68 V HA 0.369 4.488 4.120 -0.001 0.000 0.245 68 V C 0.988 177.318 176.094 0.393 0.000 1.086 68 V CA 1.030 63.512 62.300 0.304 0.000 1.097 68 V CB 0.251 32.248 31.823 0.290 0.000 0.762 68 V HN 0.960 nan 8.190 nan 0.000 0.470 69 G N -1.156 107.798 108.800 0.257 0.000 2.321 69 G HA2 0.647 4.607 3.960 -0.001 0.000 0.296 69 G HA3 0.647 4.607 3.960 -0.001 0.000 0.296 69 G C -1.865 173.043 174.900 0.013 0.000 1.287 69 G CA 0.111 45.241 45.100 0.051 0.000 0.846 69 G HN 0.607 nan 8.290 nan 0.000 0.508 70 A N -0.500 122.245 122.820 -0.126 0.000 2.520 70 A HA 0.795 5.115 4.320 -0.001 0.000 0.298 70 A C -1.154 176.337 177.584 -0.155 0.000 1.051 70 A CA -0.455 51.546 52.037 -0.060 0.000 0.690 70 A CB 1.485 20.532 19.000 0.077 0.000 1.281 70 A HN 1.193 nan 8.150 nan 0.000 0.402 71 H N 1.227 120.094 119.070 -0.339 0.000 2.457 71 H HA 0.672 5.228 4.556 -0.001 0.000 0.335 71 H C -1.758 173.336 175.328 -0.391 0.000 1.115 71 H CA -0.301 55.586 56.048 -0.268 0.000 1.219 71 H CB 0.936 30.575 29.762 -0.206 0.000 1.471 71 H HN 0.610 nan 8.280 nan 0.000 0.491 72 Y N 1.653 121.788 120.300 -0.275 0.000 2.442 72 Y HA 0.187 4.736 4.550 -0.001 0.000 0.344 72 Y C 0.194 175.953 175.900 -0.235 0.000 0.976 72 Y CA -0.858 57.146 58.100 -0.160 0.000 1.040 72 Y CB 2.212 40.743 38.460 0.119 0.000 1.228 72 Y HN 0.589 nan 8.280 nan 0.000 0.451 73 T N 0.248 114.794 114.554 -0.013 0.000 2.929 73 T HA 0.588 4.937 4.350 -0.001 0.000 0.284 73 T C -0.902 173.870 174.700 0.120 0.000 1.014 73 T CA -0.798 61.322 62.100 0.034 0.000 1.051 73 T CB 1.541 70.412 68.868 0.005 0.000 1.028 73 T HN 0.443 nan 8.240 nan 0.000 0.485 74 L N 2.880 124.102 121.223 -0.001 0.000 2.276 74 L HA 0.354 4.694 4.340 -0.001 0.000 0.286 74 L C 0.126 176.911 176.870 -0.141 0.000 1.061 74 L CA -0.093 54.610 54.840 -0.228 0.000 0.807 74 L CB 0.722 42.565 42.059 -0.360 0.000 1.177 74 L HN 0.667 nan 8.230 nan 0.000 0.429 75 Q N 2.929 122.639 119.800 -0.149 0.000 2.256 75 Q HA 0.274 4.614 4.340 -0.001 0.000 0.232 75 Q C 1.104 177.043 176.000 -0.102 0.000 0.965 75 Q CA -0.221 55.529 55.803 -0.089 0.000 0.908 75 Q CB 0.894 29.594 28.738 -0.063 0.000 1.209 75 Q HN 0.782 nan 8.270 nan 0.000 0.489 76 S N 1.670 117.331 115.700 -0.066 0.000 2.387 76 S HA -0.173 4.297 4.470 -0.001 0.000 0.230 76 S C 1.287 175.845 174.600 -0.070 0.000 1.035 76 S CA 1.659 59.822 58.200 -0.061 0.000 1.014 76 S CB -0.274 62.902 63.200 -0.041 0.000 0.836 76 S HN 0.689 nan 8.310 nan 0.000 0.466 77 N N 1.197 119.855 118.700 -0.070 0.000 2.521 77 N HA 0.070 4.810 4.740 -0.001 0.000 0.188 77 N C 1.163 176.616 175.510 -0.095 0.000 1.146 77 N CA 0.928 53.936 53.050 -0.070 0.000 0.893 77 N CB -0.318 38.135 38.487 -0.056 0.000 0.975 77 N HN 0.522 nan 8.380 nan 0.000 0.451 78 G N -0.166 108.555 108.800 -0.132 0.000 2.176 78 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.253 78 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.253 78 G C -0.184 174.577 174.900 -0.231 0.000 0.979 78 G CA -0.098 44.895 45.100 -0.178 0.000 0.641 78 G HN 0.457 nan 8.290 nan 0.000 0.530 79 N N -0.246 118.344 118.700 -0.183 0.000 2.508 79 N HA 0.603 5.343 4.740 -0.001 0.000 0.285 79 N C -0.370 175.039 175.510 -0.168 0.000 1.144 79 N CA -0.257 52.700 53.050 -0.155 0.000 0.978 79 N CB 0.627 39.067 38.487 -0.078 0.000 1.180 79 N HN 0.216 nan 8.380 nan 0.000 0.484 80 Y N 0.214 120.440 120.300 -0.123 0.000 2.335 80 Y HA 0.301 4.851 4.550 -0.001 0.000 0.323 80 Y C 0.801 176.730 175.900 0.048 0.000 1.224 80 Y CA -0.195 57.879 58.100 -0.043 0.000 1.241 80 Y CB 1.277 39.671 38.460 -0.110 0.000 1.235 80 Y HN 0.223 nan 8.280 nan 0.000 0.492 81 K N 2.806 123.402 120.400 0.326 0.000 2.471 81 K HA 0.287 4.607 4.320 -0.001 0.000 0.252 81 K C -1.471 175.328 176.600 0.332 0.000 0.938 81 K CA -0.792 55.654 56.287 0.264 0.000 0.796 81 K CB 0.921 33.493 32.500 0.121 0.000 1.161 81 K HN 0.523 nan 8.250 nan 0.000 0.425 82 F N 3.865 123.927 119.950 0.186 0.000 2.578 82 F HA 0.019 4.546 4.527 -0.001 0.000 0.376 82 F C 0.759 176.477 175.800 -0.136 0.000 1.085 82 F CA 0.417 58.382 58.000 -0.058 0.000 1.260 82 F CB 0.842 39.838 39.000 -0.007 0.000 1.095 82 F HN 0.828 nan 8.300 nan 0.000 0.573 83 D N 2.447 122.269 120.400 -0.963 0.000 3.012 83 D HA 0.121 4.761 4.640 -0.001 0.000 0.284 83 D C -0.623 174.927 176.300 -1.251 0.000 1.259 83 D CA 0.993 54.508 54.000 -0.807 0.000 1.036 83 D CB 0.253 40.806 40.800 -0.411 0.000 1.167 83 D HN 0.691 nan 8.370 nan 0.000 0.429 84 Q N -1.103 117.996 119.800 -1.168 0.000 2.702 84 Q HA 0.340 4.679 4.340 -0.001 0.000 0.289 84 Q C -1.055 174.834 176.000 -0.186 0.000 0.923 84 Q CA -1.007 54.354 55.803 -0.737 0.000 0.787 84 Q CB 1.161 29.716 28.738 -0.305 0.000 1.476 84 Q HN -0.052 nan 8.270 nan 0.000 0.402 85 M N 1.356 121.007 119.600 0.085 0.000 2.228 85 M HA 0.440 4.919 4.480 -0.001 0.000 0.326 85 M C -0.587 175.607 176.300 -0.176 0.000 1.122 85 M CA -0.176 55.163 55.300 0.065 0.000 1.161 85 M CB 0.235 32.900 32.600 0.108 0.000 1.437 85 M HN 0.638 nan 8.290 nan 0.000 0.465 86 L N 3.505 124.598 121.223 -0.215 0.000 2.319 86 L HA 0.570 4.909 4.340 -0.001 0.000 0.281 86 L C -0.520 176.320 176.870 -0.050 0.000 1.005 86 L CA -0.347 54.203 54.840 -0.484 0.000 0.828 86 L CB 1.103 42.893 42.059 -0.449 0.000 1.227 86 L HN 0.569 nan 8.230 nan 0.000 0.415 87 L N 1.169 122.496 121.223 0.174 0.000 2.267 87 L HA 0.660 5.000 4.340 -0.001 0.000 0.264 87 L C 0.556 177.612 176.870 0.310 0.000 1.021 87 L CA -0.809 54.171 54.840 0.234 0.000 0.861 87 L CB 2.160 44.336 42.059 0.195 0.000 1.443 87 L HN 0.555 nan 8.230 nan 0.000 0.475 88 T N -2.612 112.082 114.554 0.233 0.000 2.874 88 T HA 0.401 4.750 4.350 -0.001 0.000 0.281 88 T C 1.031 175.829 174.700 0.162 0.000 0.994 88 T CA -0.083 62.149 62.100 0.219 0.000 1.015 88 T CB 1.541 70.542 68.868 0.222 0.000 1.028 88 T HN 0.633 nan 8.240 nan 0.000 0.523 89 A N 1.351 124.246 122.820 0.124 0.000 1.903 89 A HA -0.063 4.257 4.320 -0.001 0.000 0.219 89 A C 1.206 178.833 177.584 0.072 0.000 1.191 89 A CA 1.386 53.465 52.037 0.071 0.000 0.638 89 A CB -0.898 18.137 19.000 0.058 0.000 0.823 89 A HN 0.944 nan 8.150 nan 0.000 0.451 90 Q N -1.931 117.922 119.800 0.087 0.000 2.359 90 Q HA 0.546 4.885 4.340 -0.001 0.000 0.275 90 Q C -1.003 175.043 176.000 0.077 0.000 1.082 90 Q CA -1.090 54.758 55.803 0.075 0.000 0.849 90 Q CB 0.682 29.467 28.738 0.078 0.000 1.377 90 Q HN 0.192 nan 8.270 nan 0.000 0.452 91 N N 0.727 119.466 118.700 0.064 0.000 2.439 91 N HA 0.150 4.890 4.740 -0.001 0.000 0.243 91 N C 0.155 175.701 175.510 0.059 0.000 1.088 91 N CA -0.024 53.059 53.050 0.056 0.000 0.940 91 N CB 0.418 38.931 38.487 0.044 0.000 1.180 91 N HN 0.736 nan 8.380 nan 0.000 0.505 92 L N 4.552 125.802 121.223 0.046 0.000 2.043 92 L HA -0.110 4.229 4.340 -0.001 0.000 0.212 92 L C -0.679 176.258 176.870 0.111 0.000 1.075 92 L CA 1.297 56.183 54.840 0.076 0.000 0.752 92 L CB -1.001 40.992 42.059 -0.109 0.000 0.891 92 L HN 0.505 nan 8.230 nan 0.000 0.432 93 P HA -0.162 nan 4.420 nan 0.000 0.223 93 P C 1.153 178.458 177.300 0.008 0.000 1.144 93 P CA 1.441 64.554 63.100 0.023 0.000 0.783 93 P CB 0.006 31.710 31.700 0.007 0.000 0.771 94 A N -1.394 121.433 122.820 0.011 0.000 2.067 94 A HA -0.009 4.311 4.320 -0.001 0.000 0.217 94 A C 2.038 179.581 177.584 -0.069 0.000 1.156 94 A CA 1.526 53.551 52.037 -0.020 0.000 0.683 94 A CB -0.604 18.391 19.000 -0.008 0.000 0.808 94 A HN 0.120 nan 8.150 nan 0.000 0.455 95 S N -2.423 113.219 115.700 -0.097 0.000 2.559 95 S HA 0.369 4.839 4.470 -0.001 0.000 0.226 95 S C -0.469 173.776 174.600 -0.592 0.000 1.030 95 S CA -0.229 57.761 58.200 -0.350 0.000 0.956 95 S CB 0.091 63.010 63.200 -0.469 0.000 0.900 95 S HN 0.518 nan 8.310 nan 0.000 0.510 96 Y N 0.542 120.829 120.300 -0.022 0.000 2.581 96 Y HA 0.499 5.049 4.550 -0.001 0.000 0.345 96 Y C 0.589 176.466 175.900 -0.037 0.000 1.036 96 Y CA -1.117 56.978 58.100 -0.008 0.000 1.042 96 Y CB 1.097 39.556 38.460 -0.002 0.000 1.289 96 Y HN -0.177 nan 8.280 nan 0.000 0.471 97 N N -0.424 118.364 118.700 0.147 0.000 2.397 97 N HA 0.114 4.854 4.740 -0.001 0.000 0.190 97 N C -1.233 174.137 175.510 -0.233 0.000 1.099 97 N CA 0.369 53.375 53.050 -0.073 0.000 0.876 97 N CB 0.581 39.024 38.487 -0.074 0.000 1.143 97 N HN 0.517 nan 8.380 nan 0.000 0.468 98 Y N -0.935 119.437 120.300 0.121 0.000 2.576 98 Y HA 0.564 5.114 4.550 -0.000 0.000 0.346 98 Y C -0.212 175.799 175.900 0.185 0.000 1.018 98 Y CA -1.151 57.033 58.100 0.140 0.000 1.050 98 Y CB 2.213 40.765 38.460 0.153 0.000 1.280 98 Y HN -0.119 nan 8.280 nan 0.000 0.474 99 C N 2.186 121.687 119.300 0.336 0.000 3.239 99 C HA 0.838 5.298 4.460 -0.001 0.000 0.329 99 C C -1.746 173.217 174.990 -0.044 0.000 1.252 99 C CA -0.732 58.366 59.018 0.132 0.000 1.323 99 C CB 1.791 29.517 27.740 -0.025 0.000 1.663 99 C HN 1.021 nan 8.230 nan 0.000 0.487 100 R N 2.548 122.989 120.500 -0.098 0.000 2.604 100 R HA 0.689 5.029 4.340 -0.001 0.000 0.281 100 R C -1.632 174.719 176.300 0.085 0.000 1.020 100 R CA -0.642 55.367 56.100 -0.152 0.000 0.899 100 R CB 1.743 31.702 30.300 -0.568 0.000 1.205 100 R HN 0.788 nan 8.270 nan 0.000 0.450 101 L N 4.497 125.795 121.223 0.125 0.000 2.331 101 L HA 0.243 4.582 4.340 -0.001 0.000 0.278 101 L C 0.047 176.941 176.870 0.041 0.000 1.106 101 L CA 0.435 55.316 54.840 0.068 0.000 0.824 101 L CB 1.642 43.750 42.059 0.082 0.000 1.142 101 L HN 0.629 nan 8.230 nan 0.000 0.443 102 V N 2.459 122.354 119.914 -0.031 0.000 2.521 102 V HA 0.293 4.413 4.120 -0.001 0.000 0.239 102 V C 0.558 176.705 176.094 0.088 0.000 1.053 102 V CA 1.103 63.464 62.300 0.102 0.000 1.073 102 V CB 0.195 32.071 31.823 0.089 0.000 0.746 102 V HN 0.933 nan 8.190 nan 0.000 0.476 103 S N -0.265 115.391 115.700 -0.074 0.000 2.567 103 S HA 0.770 5.239 4.470 -0.001 0.000 0.270 103 S C -0.919 173.587 174.600 -0.156 0.000 1.152 103 S CA -0.865 57.279 58.200 -0.092 0.000 0.835 103 S CB 2.912 66.033 63.200 -0.132 0.000 1.115 103 S HN 0.475 nan 8.310 nan 0.000 0.459 104 R N 0.204 120.630 120.500 -0.124 0.000 2.634 104 R HA 0.704 5.044 4.340 -0.001 0.000 0.263 104 R C -1.858 174.358 176.300 -0.140 0.000 1.060 104 R CA 0.004 56.023 56.100 -0.136 0.000 0.898 104 R CB 1.741 31.970 30.300 -0.118 0.000 1.253 104 R HN 1.401 nan 8.270 nan 0.000 0.461 105 S N 3.179 118.785 115.700 -0.157 0.000 2.537 105 S HA 0.741 5.211 4.470 -0.001 0.000 0.270 105 S C -1.608 172.864 174.600 -0.213 0.000 1.142 105 S CA -0.850 57.221 58.200 -0.214 0.000 0.870 105 S CB 1.705 64.761 63.200 -0.241 0.000 1.112 105 S HN 0.402 nan 8.310 nan 0.000 0.466 106 L N 1.909 122.960 121.223 -0.287 0.000 2.445 106 L HA 0.756 5.095 4.340 -0.001 0.000 0.262 106 L C -0.132 176.615 176.870 -0.204 0.000 0.974 106 L CA -0.445 54.244 54.840 -0.253 0.000 0.822 106 L CB 2.751 44.538 42.059 -0.453 0.000 1.339 106 L HN 1.014 nan 8.230 nan 0.000 0.409 107 T N -0.689 113.812 114.554 -0.088 0.000 2.888 107 T HA 0.865 5.214 4.350 -0.001 0.000 0.284 107 T C -0.665 174.060 174.700 0.043 0.000 1.017 107 T CA -0.849 61.229 62.100 -0.037 0.000 1.022 107 T CB 1.910 70.765 68.868 -0.022 0.000 1.013 107 T HN 0.229 nan 8.240 nan 0.000 0.465 108 V N 3.470 123.427 119.914 0.071 0.000 2.525 108 V HA 0.777 4.897 4.120 -0.001 0.000 0.299 108 V C -0.177 175.959 176.094 0.069 0.000 1.034 108 V CA -0.896 61.467 62.300 0.105 0.000 0.863 108 V CB 1.289 33.222 31.823 0.183 0.000 0.999 108 V HN 1.178 nan 8.190 nan 0.000 0.423 109 R N 2.199 122.722 120.500 0.038 0.000 2.692 109 R HA 0.680 5.020 4.340 -0.001 0.000 0.269 109 R C -0.945 175.347 176.300 -0.013 0.000 1.030 109 R CA -0.563 55.549 56.100 0.021 0.000 0.882 109 R CB 1.766 32.083 30.300 0.027 0.000 1.250 109 R HN 0.513 nan 8.270 nan 0.000 0.465 110 S N -0.127 115.559 115.700 -0.023 0.000 2.580 110 S HA 0.217 4.687 4.470 -0.001 0.000 0.274 110 S C 0.524 175.109 174.600 -0.025 0.000 1.329 110 S CA 0.208 58.381 58.200 -0.045 0.000 1.036 110 S CB 0.766 63.939 63.200 -0.045 0.000 0.919 110 S HN 0.743 nan 8.310 nan 0.000 0.515 111 S N 1.850 117.531 115.700 -0.031 0.000 2.817 111 S HA 0.313 4.783 4.470 -0.001 0.000 0.262 111 S C 0.106 174.696 174.600 -0.018 0.000 1.051 111 S CA -0.412 57.777 58.200 -0.018 0.000 1.185 111 S CB 0.377 63.567 63.200 -0.016 0.000 1.152 111 S HN 0.573 nan 8.310 nan 0.000 0.653 112 T N 1.645 116.185 114.554 -0.024 0.000 2.933 112 T HA 0.625 4.975 4.350 -0.001 0.000 0.305 112 T C -1.941 172.749 174.700 -0.017 0.000 1.092 112 T CA -0.440 61.648 62.100 -0.019 0.000 1.008 112 T CB 1.652 70.508 68.868 -0.020 0.000 1.102 112 T HN 0.298 nan 8.240 nan 0.000 0.469 113 L N 5.479 126.695 121.223 -0.011 0.000 2.442 113 L HA 0.431 4.771 4.340 -0.001 0.000 0.261 113 L C -1.481 175.386 176.870 -0.006 0.000 1.000 113 L CA -1.378 53.457 54.840 -0.008 0.000 0.882 113 L CB 1.632 43.688 42.059 -0.005 0.000 1.207 113 L HN 0.588 nan 8.230 nan 0.000 0.443 121 N N -0.261 118.445 118.700 0.010 0.000 2.549 121 N HA 0.546 5.286 4.740 -0.001 0.000 0.290 121 N C -0.122 175.397 175.510 0.016 0.000 1.122 121 N CA -0.047 53.008 53.050 0.008 0.000 0.885 121 N CB 2.518 41.006 38.487 0.000 0.000 1.455 121 N HN 0.919 nan 8.380 nan 0.000 0.521 122 G N 1.236 110.047 108.800 0.019 0.000 2.846 122 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.660 122 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.660 122 G C -0.413 174.524 174.900 0.062 0.000 1.464 122 G CA -0.214 44.905 45.100 0.032 0.000 0.891 122 G HN 1.189 nan 8.290 nan 0.000 0.552 123 T N -2.202 112.408 114.554 0.094 0.000 2.865 123 T HA 0.778 5.128 4.350 -0.001 0.000 0.294 123 T C -0.250 174.645 174.700 0.325 0.000 1.119 123 T CA -0.735 61.471 62.100 0.177 0.000 1.007 123 T CB 2.221 71.203 68.868 0.190 0.000 1.225 123 T HN 1.064 nan 8.240 nan 0.000 0.515 124 I N 1.460 122.228 120.570 0.330 0.000 2.545 124 I HA 0.498 4.668 4.170 -0.001 0.000 0.292 124 I C -0.944 175.277 176.117 0.174 0.000 1.040 124 I CA -0.988 60.515 61.300 0.338 0.000 1.068 124 I CB 2.189 40.324 38.000 0.225 0.000 1.251 124 I HN 0.558 nan 8.210 nan 0.000 0.424 125 N N 3.955 122.634 118.700 -0.035 0.000 2.284 125 N HA 0.821 5.561 4.740 -0.001 0.000 0.300 125 N C -1.286 174.150 175.510 -0.124 0.000 1.047 125 N CA -0.472 52.418 53.050 -0.266 0.000 0.821 125 N CB 2.375 40.387 38.487 -0.792 0.000 1.337 125 N HN 0.701 nan 8.380 nan 0.000 0.482 126 A N 0.790 123.564 122.820 -0.077 0.000 2.515 126 A HA 0.807 5.126 4.320 -0.001 0.000 0.298 126 A C -1.362 176.197 177.584 -0.041 0.000 1.059 126 A CA -0.643 51.377 52.037 -0.028 0.000 0.698 126 A CB 1.505 20.524 19.000 0.030 0.000 1.289 126 A HN 0.419 nan 8.150 nan 0.000 0.404 127 V N 0.538 120.438 119.914 -0.023 0.000 3.120 127 V HA 0.757 4.877 4.120 -0.001 0.000 0.303 127 V C -0.942 175.163 176.094 0.019 0.000 1.238 127 V CA -0.239 62.052 62.300 -0.015 0.000 1.008 127 V CB 2.689 34.502 31.823 -0.017 0.000 1.064 127 V HN 1.033 nan 8.190 nan 0.000 0.434 128 T N 5.647 120.215 114.554 0.023 0.000 2.772 128 T HA 0.496 4.845 4.350 -0.001 0.000 0.288 128 T C -0.969 173.789 174.700 0.097 0.000 0.994 128 T CA 0.039 62.166 62.100 0.045 0.000 0.951 128 T CB 0.609 69.474 68.868 -0.006 0.000 0.933 128 T HN 0.505 nan 8.240 nan 0.000 0.447 129 F N 2.767 122.695 119.950 -0.036 0.000 2.420 129 F HA 0.324 4.851 4.527 -0.000 0.000 0.342 129 F C 1.182 176.972 175.800 -0.016 0.000 1.113 129 F CA -0.850 57.133 58.000 -0.029 0.000 1.059 129 F CB 1.351 40.332 39.000 -0.031 0.000 1.128 129 F HN 0.496 nan 8.300 nan 0.000 0.475 130 Q N 3.937 123.319 119.800 -0.695 0.000 2.387 130 Q HA 0.192 4.531 4.340 -0.001 0.000 0.211 130 Q C 0.572 176.137 176.000 -0.725 0.000 0.952 130 Q CA 0.212 55.675 55.803 -0.567 0.000 0.957 130 Q CB 0.182 28.694 28.738 -0.377 0.000 1.002 130 Q HN 0.897 nan 8.270 nan 0.000 0.502 131 G N -0.094 107.950 108.800 -1.260 0.000 3.209 131 G HA2 0.453 4.412 3.960 -0.001 0.000 0.236 131 G HA3 0.453 4.412 3.960 -0.001 0.000 0.236 131 G C -0.683 174.300 174.900 0.138 0.000 1.329 131 G CA -0.522 44.292 45.100 -0.477 0.000 1.015 131 G HN 0.201 nan 8.290 nan 0.000 0.571 132 S N -0.955 114.935 115.700 0.316 0.000 2.690 132 S HA 0.397 4.867 4.470 -0.001 0.000 0.291 132 S C 1.264 176.053 174.600 0.315 0.000 1.138 132 S CA -0.540 57.842 58.200 0.303 0.000 1.013 132 S CB 1.669 65.005 63.200 0.228 0.000 1.053 132 S HN 0.658 nan 8.310 nan 0.000 0.539 133 L N 2.005 123.353 121.223 0.208 0.000 2.011 133 L HA -0.214 4.125 4.340 -0.001 0.000 0.225 133 L C 2.544 179.429 176.870 0.025 0.000 1.084 133 L CA 2.879 57.747 54.840 0.046 0.000 0.791 133 L CB -1.426 40.623 42.059 -0.016 0.000 0.898 133 L HN 1.020 nan 8.230 nan 0.000 0.440 134 S N -1.991 113.761 115.700 0.087 0.000 2.507 134 S HA -0.131 4.338 4.470 -0.001 0.000 0.235 134 S C 1.626 176.267 174.600 0.067 0.000 0.988 134 S CA 1.035 59.282 58.200 0.078 0.000 0.944 134 S CB -0.647 62.593 63.200 0.067 0.000 0.762 134 S HN 0.688 nan 8.310 nan 0.000 0.526 135 E N 0.413 120.687 120.200 0.122 0.000 2.435 135 E HA 0.209 4.559 4.350 -0.001 0.000 0.195 135 E C -0.125 176.476 176.600 0.001 0.000 1.029 135 E CA -0.156 56.348 56.400 0.172 0.000 0.865 135 E CB -0.105 29.822 29.700 0.377 0.000 0.833 135 E HN 0.547 nan 8.360 nan 0.000 0.510 136 L N 1.371 122.404 121.223 -0.316 0.000 2.490 136 L HA -0.037 4.302 4.340 -0.001 0.000 0.274 136 L C 1.763 178.492 176.870 -0.235 0.000 1.201 136 L CA 0.301 54.782 54.840 -0.598 0.000 0.869 136 L CB 0.698 42.392 42.059 -0.608 0.000 1.123 136 L HN 0.122 nan 8.230 nan 0.000 0.484 137 T N -2.861 111.580 114.554 -0.188 0.000 3.057 137 T HA 0.057 4.407 4.350 -0.001 0.000 0.254 137 T C 0.249 174.906 174.700 -0.072 0.000 1.094 137 T CA 0.060 62.111 62.100 -0.081 0.000 1.088 137 T CB 0.121 68.968 68.868 -0.035 0.000 0.934 137 T HN 0.554 nan 8.240 nan 0.000 0.497 138 D N 0.716 121.057 120.400 -0.099 0.000 2.966 138 D HA 0.270 4.910 4.640 -0.001 0.000 0.222 138 D C 0.045 176.308 176.300 -0.061 0.000 1.292 138 D CA -0.674 53.291 54.000 -0.057 0.000 0.907 138 D CB 2.230 43.005 40.800 -0.042 0.000 1.621 138 D HN 0.071 nan 8.370 nan 0.000 0.557 139 V N 1.340 121.254 119.914 -0.000 0.000 3.176 139 V HA 0.337 4.457 4.120 -0.001 0.000 0.332 139 V C 0.702 176.873 176.094 0.129 0.000 1.414 139 V CA -0.024 62.296 62.300 0.033 0.000 1.133 139 V CB -0.499 31.373 31.823 0.082 0.000 1.088 139 V HN 0.458 nan 8.190 nan 0.000 0.473 140 S N -0.806 114.951 115.700 0.096 0.000 2.600 140 S HA 0.314 4.784 4.470 -0.001 0.000 0.265 140 S C 0.832 175.506 174.600 0.123 0.000 1.325 140 S CA 0.176 58.450 58.200 0.124 0.000 1.002 140 S CB 0.803 64.046 63.200 0.071 0.000 0.921 140 S HN 0.443 nan 8.310 nan 0.000 0.554 141 Y N 2.268 122.588 120.300 0.033 0.000 2.069 141 Y HA -0.256 4.293 4.550 -0.001 0.000 0.278 141 Y C 2.113 178.021 175.900 0.013 0.000 1.175 141 Y CA 2.555 60.667 58.100 0.020 0.000 1.134 141 Y CB -0.475 37.990 38.460 0.008 0.000 0.965 141 Y HN 0.703 nan 8.280 nan 0.000 0.498 142 N N -0.258 118.516 118.700 0.124 0.000 2.300 142 N HA -0.060 4.679 4.740 -0.001 0.000 0.179 142 N C 2.031 177.523 175.510 -0.031 0.000 1.016 142 N CA 1.091 54.152 53.050 0.019 0.000 0.876 142 N CB -0.785 37.758 38.487 0.093 0.000 0.979 142 N HN 0.538 nan 8.380 nan 0.000 0.432 143 G N 1.960 110.755 108.800 -0.009 0.000 2.450 143 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.220 143 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.220 143 G C 1.658 176.527 174.900 -0.052 0.000 1.130 143 G CA 0.271 45.357 45.100 -0.023 0.000 0.760 143 G HN 0.212 nan 8.290 nan 0.000 0.557 144 L N 0.175 121.352 121.223 -0.076 0.000 2.129 144 L HA -0.135 4.205 4.340 -0.001 0.000 0.212 144 L C 2.822 179.644 176.870 -0.081 0.000 1.087 144 L CA 0.719 55.502 54.840 -0.095 0.000 0.757 144 L CB -0.403 41.582 42.059 -0.124 0.000 0.896 144 L HN 0.187 nan 8.230 nan 0.000 0.434 145 M N -1.154 118.392 119.600 -0.090 0.000 2.530 145 M HA -0.137 4.343 4.480 -0.001 0.000 0.261 145 M C 1.864 178.141 176.300 -0.039 0.000 1.067 145 M CA 1.236 56.493 55.300 -0.071 0.000 1.071 145 M CB -1.090 31.466 32.600 -0.073 0.000 1.405 145 M HN 0.109 nan 8.290 nan 0.000 0.478 146 S N -0.346 115.337 115.700 -0.028 0.000 2.539 146 S HA 0.321 4.790 4.470 -0.001 0.000 0.221 146 S C 1.829 176.440 174.600 0.018 0.000 0.987 146 S CA 0.336 58.532 58.200 -0.007 0.000 0.929 146 S CB 0.223 63.419 63.200 -0.007 0.000 0.832 146 S HN 0.502 nan 8.310 nan 0.000 0.492 147 A N 1.382 124.215 122.820 0.022 0.000 2.076 147 A HA -0.001 4.319 4.320 -0.001 0.000 0.220 147 A C 1.344 179.043 177.584 0.192 0.000 1.160 147 A CA 1.523 53.618 52.037 0.097 0.000 0.653 147 A CB -0.183 18.852 19.000 0.058 0.000 0.801 147 A HN 0.406 nan 8.150 nan 0.000 0.455 148 T N -3.930 110.681 114.554 0.094 0.000 2.896 148 T HA 0.564 4.914 4.350 -0.001 0.000 0.297 148 T C 0.360 175.067 174.700 0.013 0.000 1.108 148 T CA 0.085 62.219 62.100 0.056 0.000 1.004 148 T CB 1.741 70.627 68.868 0.031 0.000 1.159 148 T HN 0.439 nan 8.240 nan 0.000 0.499 149 A N 2.690 125.507 122.820 -0.004 0.000 2.220 149 A HA 0.316 4.635 4.320 -0.001 0.000 0.211 149 A C 0.621 178.186 177.584 -0.031 0.000 1.176 149 A CA -0.077 51.951 52.037 -0.016 0.000 0.834 149 A CB -0.184 18.807 19.000 -0.015 0.000 0.868 149 A HN 0.719 nan 8.150 nan 0.000 0.488 150 N N 0.824 119.499 118.700 -0.040 0.000 2.431 150 N HA 0.107 4.847 4.740 -0.001 0.000 0.265 150 N C 0.595 176.063 175.510 -0.070 0.000 1.184 150 N CA -0.212 52.803 53.050 -0.058 0.000 0.943 150 N CB 1.142 39.588 38.487 -0.068 0.000 1.080 150 N HN 0.232 nan 8.380 nan 0.000 0.477 151 I N 2.296 122.822 120.570 -0.074 0.000 2.454 151 I HA -0.170 3.999 4.170 -0.001 0.000 0.254 151 I C 1.088 177.130 176.117 -0.125 0.000 1.156 151 I CA 1.282 62.531 61.300 -0.085 0.000 1.433 151 I CB -0.103 37.852 38.000 -0.075 0.000 1.082 151 I HN 0.399 nan 8.210 nan 0.000 0.432 152 N N 0.650 119.262 118.700 -0.146 0.000 2.449 152 N HA -0.008 4.732 4.740 -0.001 0.000 0.191 152 N C 0.096 175.472 175.510 -0.222 0.000 1.161 152 N CA 0.482 53.400 53.050 -0.220 0.000 0.863 152 N CB -0.013 38.335 38.487 -0.231 0.000 0.980 152 N HN 0.461 nan 8.380 nan 0.000 0.458 153 D N 0.386 120.696 120.400 -0.151 0.000 2.571 153 D HA 0.094 4.734 4.640 -0.001 0.000 0.239 153 D C -0.085 176.161 176.300 -0.090 0.000 1.267 153 D CA 0.132 54.059 54.000 -0.121 0.000 0.823 153 D CB 0.821 41.571 40.800 -0.084 0.000 1.056 153 D HN 0.380 nan 8.370 nan 0.000 0.494 154 K N -0.156 120.182 120.400 -0.104 0.000 2.527 154 K HA 0.668 4.988 4.320 -0.001 0.000 0.260 154 K C -1.473 175.075 176.600 -0.087 0.000 0.937 154 K CA -0.903 55.336 56.287 -0.079 0.000 0.826 154 K CB 2.607 35.069 32.500 -0.064 0.000 1.359 154 K HN -0.175 nan 8.250 nan 0.000 0.434 155 I N 0.658 121.187 120.570 -0.068 0.000 2.644 155 I HA 0.538 4.707 4.170 -0.001 0.000 0.291 155 I C -1.221 174.871 176.117 -0.042 0.000 1.180 155 I CA -0.062 61.209 61.300 -0.049 0.000 1.040 155 I CB 2.401 40.383 38.000 -0.030 0.000 1.255 155 I HN 0.875 nan 8.210 nan 0.000 0.422 156 G N 4.247 113.031 108.800 -0.026 0.000 2.495 156 G HA2 0.427 4.386 3.960 -0.001 0.000 0.318 156 G HA3 0.427 4.386 3.960 -0.001 0.000 0.318 156 G C -0.512 174.407 174.900 0.031 0.000 1.257 156 G CA -0.547 44.539 45.100 -0.023 0.000 0.962 156 G HN 0.655 nan 8.290 nan 0.000 0.483 157 N N -0.496 118.248 118.700 0.073 0.000 2.714 157 N HA -0.164 4.575 4.740 -0.001 0.000 0.252 157 N C 0.324 175.903 175.510 0.115 0.000 1.014 157 N CA 0.686 53.822 53.050 0.144 0.000 0.735 157 N CB -0.928 37.636 38.487 0.130 0.000 0.924 157 N HN 0.397 nan 8.380 nan 0.000 0.540 158 V N 0.966 120.948 119.914 0.113 0.000 2.686 158 V HA 0.161 4.280 4.120 -0.001 0.000 0.295 158 V C 1.369 177.529 176.094 0.110 0.000 1.055 158 V CA -0.582 61.778 62.300 0.100 0.000 1.050 158 V CB 1.279 33.161 31.823 0.098 0.000 0.984 158 V HN 0.161 nan 8.190 nan 0.000 0.482 159 L N 4.894 126.171 121.223 0.088 0.000 2.410 159 L HA 0.098 4.437 4.340 -0.001 0.000 0.273 159 L C 1.551 178.468 176.870 0.078 0.000 1.152 159 L CA -0.195 54.693 54.840 0.079 0.000 0.855 159 L CB 1.047 43.142 42.059 0.060 0.000 1.129 159 L HN 0.759 nan 8.230 nan 0.000 0.463 160 V N 0.770 120.730 119.914 0.077 0.000 2.568 160 V HA -0.169 3.950 4.120 -0.001 0.000 0.253 160 V C 2.025 178.142 176.094 0.039 0.000 1.072 160 V CA 1.967 64.305 62.300 0.062 0.000 1.084 160 V CB -1.231 30.614 31.823 0.037 0.000 0.676 160 V HN 1.003 nan 8.190 nan 0.000 0.469 161 G N 0.116 108.936 108.800 0.035 0.000 2.421 161 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.217 161 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.217 161 G C 1.461 176.381 174.900 0.034 0.000 1.143 161 G CA 0.773 45.889 45.100 0.026 0.000 0.784 161 G HN 0.643 nan 8.290 nan 0.000 0.541 162 E N -0.084 120.144 120.200 0.045 0.000 2.112 162 E HA 0.288 4.638 4.350 -0.001 0.000 0.190 162 E C 1.451 178.086 176.600 0.058 0.000 0.979 162 E CA 0.261 56.693 56.400 0.052 0.000 0.814 162 E CB 0.028 29.764 29.700 0.059 0.000 0.762 162 E HN 0.442 nan 8.360 nan 0.000 0.460 163 G N 0.527 109.366 108.800 0.064 0.000 2.746 163 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.685 163 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.685 163 G C -0.765 174.185 174.900 0.083 0.000 1.350 163 G CA -0.482 44.660 45.100 0.069 0.000 0.837 163 G HN 0.136 nan 8.290 nan 0.000 0.564 164 V N 0.266 120.229 119.914 0.082 0.000 2.823 164 V HA 0.838 4.958 4.120 -0.001 0.000 0.312 164 V C 0.285 176.402 176.094 0.037 0.000 1.072 164 V CA -0.196 62.155 62.300 0.085 0.000 0.937 164 V CB 2.467 34.351 31.823 0.102 0.000 1.013 164 V HN 1.175 nan 8.190 nan 0.000 0.430 165 T N 3.249 117.808 114.554 0.008 0.000 2.792 165 T HA 0.517 4.867 4.350 -0.001 0.000 0.280 165 T C -0.607 174.022 174.700 -0.118 0.000 0.990 165 T CA -0.312 61.698 62.100 -0.151 0.000 0.960 165 T CB 1.482 70.096 68.868 -0.425 0.000 0.939 165 T HN 0.349 nan 8.240 nan 0.000 0.439 166 V N 4.818 124.614 119.914 -0.197 0.000 2.383 166 V HA 0.467 4.586 4.120 -0.001 0.000 0.275 166 V C -0.285 175.673 176.094 -0.225 0.000 1.036 166 V CA -0.748 61.439 62.300 -0.188 0.000 0.889 166 V CB 1.110 32.728 31.823 -0.342 0.000 0.985 166 V HN 0.632 nan 8.190 nan 0.000 0.459 167 L N 4.661 125.820 121.223 -0.106 0.000 2.333 167 L HA 0.573 4.913 4.340 -0.001 0.000 0.280 167 L C 0.233 177.069 176.870 -0.057 0.000 1.004 167 L CA 0.341 55.121 54.840 -0.100 0.000 0.820 167 L CB 2.016 44.100 42.059 0.042 0.000 1.247 167 L HN 0.605 nan 8.230 nan 0.000 0.416 168 S N 5.371 121.030 115.700 -0.069 0.000 2.448 168 S HA 0.554 5.023 4.470 -0.001 0.000 0.279 168 S C -0.381 174.212 174.600 -0.011 0.000 1.195 168 S CA -0.458 57.718 58.200 -0.039 0.000 1.051 168 S CB -0.294 62.882 63.200 -0.040 0.000 0.948 168 S HN 0.552 nan 8.310 nan 0.000 0.493 169 L N 6.835 128.051 121.223 -0.013 0.000 2.325 169 L HA 0.530 4.870 4.340 -0.001 0.000 0.278 169 L C -1.668 175.177 176.870 -0.041 0.000 1.023 169 L CA -2.275 52.560 54.840 -0.008 0.000 0.811 169 L CB 1.370 43.416 42.059 -0.021 0.000 1.249 169 L HN 0.496 nan 8.230 nan 0.000 0.431 170 P HA 0.000 nan 4.420 nan 0.000 0.266 170 P C -0.359 176.792 177.300 -0.249 0.000 1.193 170 P CA -0.037 62.922 63.100 -0.235 0.000 0.770 170 P CB 0.510 31.859 31.700 -0.587 0.000 0.836 171 T N -1.781 112.617 114.554 -0.259 0.000 3.466 171 T HA 0.476 4.825 4.350 -0.001 0.000 0.297 171 T C -0.206 174.329 174.700 -0.275 0.000 1.640 171 T CA -0.511 61.459 62.100 -0.217 0.000 1.631 171 T CB -0.849 67.934 68.868 -0.142 0.000 0.928 171 T HN 0.722 nan 8.240 nan 0.000 0.688 172 S N 0.845 116.330 115.700 -0.358 0.000 2.978 172 S HA -0.086 4.384 4.470 -0.001 0.000 0.855 172 S C -1.060 173.283 174.600 -0.428 0.000 0.951 172 S CA -0.726 57.275 58.200 -0.331 0.000 1.377 172 S CB -1.018 62.048 63.200 -0.222 0.000 0.983 172 S HN 0.721 nan 8.310 nan 0.000 0.235 173 Y N 1.488 121.746 120.300 -0.070 0.000 2.730 173 Y HA 0.490 5.039 4.550 -0.001 0.000 0.325 173 Y C 1.118 176.973 175.900 -0.075 0.000 1.132 173 Y CA -0.332 57.724 58.100 -0.074 0.000 1.206 173 Y CB 0.742 39.160 38.460 -0.071 0.000 1.390 173 Y HN 0.838 nan 8.280 nan 0.000 0.555 174 D N 0.706 121.197 120.400 0.152 0.000 2.837 174 D HA -0.185 4.455 4.640 -0.001 0.000 0.230 174 D C -1.007 175.316 176.300 0.037 0.000 1.152 174 D CA 0.748 54.786 54.000 0.064 0.000 0.736 174 D CB -1.085 39.744 40.800 0.048 0.000 1.084 174 D HN 0.270 nan 8.370 nan 0.000 0.429 175 L N -0.004 121.234 121.223 0.024 0.000 2.436 175 L HA 0.426 4.765 4.340 -0.001 0.000 0.265 175 L C 1.840 178.775 176.870 0.109 0.000 1.168 175 L CA 0.081 54.912 54.840 -0.015 0.000 0.815 175 L CB 0.865 42.839 42.059 -0.141 0.000 1.109 175 L HN 0.035 nan 8.230 nan 0.000 0.462 176 G N 0.473 109.403 108.800 0.217 0.000 2.616 176 G HA2 0.214 4.174 3.960 -0.001 0.000 0.268 176 G HA3 0.214 4.174 3.960 -0.001 0.000 0.268 176 G C -0.968 174.102 174.900 0.283 0.000 1.213 176 G CA -0.340 44.916 45.100 0.261 0.000 0.926 176 G HN 0.321 nan 8.290 nan 0.000 0.523 177 Y N -1.146 119.217 120.300 0.105 0.000 2.336 177 Y HA 0.330 4.880 4.550 -0.001 0.000 0.331 177 Y C 0.789 176.748 175.900 0.098 0.000 1.211 177 Y CA 0.024 58.181 58.100 0.095 0.000 1.346 177 Y CB 1.367 39.850 38.460 0.038 0.000 1.271 177 Y HN 0.149 nan 8.280 nan 0.000 0.538 178 V N 4.328 124.304 119.914 0.104 0.000 2.483 178 V HA 0.372 4.492 4.120 -0.001 0.000 0.295 178 V C -0.145 175.958 176.094 0.015 0.000 1.035 178 V CA -1.155 61.081 62.300 -0.107 0.000 0.896 178 V CB 1.545 33.045 31.823 -0.539 0.000 0.986 178 V HN 0.579 nan 8.190 nan 0.000 0.447 179 R N 3.157 123.606 120.500 -0.084 0.000 2.537 179 R HA 0.228 4.567 4.340 -0.001 0.000 0.280 179 R C 0.599 176.756 176.300 -0.239 0.000 1.058 179 R CA 0.309 56.185 56.100 -0.374 0.000 1.057 179 R CB 0.259 30.370 30.300 -0.314 0.000 0.973 179 R HN 0.714 nan 8.270 nan 0.000 0.438 180 L N 3.343 124.426 121.223 -0.234 0.000 2.591 180 L HA 0.211 4.551 4.340 -0.001 0.000 0.228 180 L C 1.019 177.849 176.870 -0.068 0.000 1.133 180 L CA 0.693 55.462 54.840 -0.118 0.000 0.880 180 L CB 0.053 42.067 42.059 -0.075 0.000 1.033 180 L HN 1.102 nan 8.230 nan 0.000 0.450 181 G N 0.949 109.695 108.800 -0.092 0.000 2.171 181 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.238 181 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.238 181 G C -0.032 174.838 174.900 -0.049 0.000 1.039 181 G CA 0.225 45.293 45.100 -0.053 0.000 0.759 181 G HN 0.538 nan 8.290 nan 0.000 0.501 182 D N -0.155 120.200 120.400 -0.076 0.000 2.357 182 D HA 0.396 5.036 4.640 -0.001 0.000 0.242 182 D C -2.486 173.784 176.300 -0.051 0.000 1.153 182 D CA -1.424 52.541 54.000 -0.059 0.000 0.918 182 D CB 1.124 41.878 40.800 -0.077 0.000 1.181 182 D HN 0.176 nan 8.370 nan 0.000 0.435 183 P HA 0.257 nan 4.420 nan 0.000 0.277 183 P C -0.364 176.915 177.300 -0.036 0.000 1.240 183 P CA -0.432 62.649 63.100 -0.032 0.000 0.798 183 P CB 0.775 32.460 31.700 -0.024 0.000 0.979 184 I N -1.052 119.499 120.570 -0.031 0.000 2.750 184 I HA 0.692 4.862 4.170 -0.001 0.000 0.308 184 I C -2.529 173.575 176.117 -0.022 0.000 1.016 184 I CA -3.285 57.997 61.300 -0.029 0.000 1.098 184 I CB 1.407 39.389 38.000 -0.030 0.000 1.279 184 I HN 0.087 nan 8.210 nan 0.000 0.454 185 P HA 0.392 nan 4.420 nan 0.000 0.267 185 P C -0.988 176.303 177.300 -0.014 0.000 1.209 185 P CA 0.044 63.134 63.100 -0.015 0.000 0.763 185 P CB 0.726 32.418 31.700 -0.013 0.000 0.816 186 A N 3.400 126.212 122.820 -0.012 0.000 2.589 186 A HA 0.752 5.072 4.320 -0.001 0.000 0.296 186 A C -1.020 176.558 177.584 -0.009 0.000 1.062 186 A CA -0.683 51.347 52.037 -0.011 0.000 0.686 186 A CB 1.117 20.109 19.000 -0.012 0.000 1.282 186 A HN 0.572 nan 8.150 nan 0.000 0.404 187 I N -0.941 119.624 120.570 -0.008 0.000 2.647 187 I HA 0.983 5.153 4.170 -0.001 0.000 0.295 187 I C -0.014 176.099 176.117 -0.006 0.000 1.078 187 I CA -0.849 60.447 61.300 -0.006 0.000 1.048 187 I CB 2.390 40.387 38.000 -0.006 0.000 1.239 187 I HN 1.011 nan 8.210 nan 0.000 0.421 188 G N 3.801 112.598 108.800 -0.005 0.000 2.677 188 G HA2 0.460 4.420 3.960 -0.001 0.000 0.291 188 G HA3 0.460 4.420 3.960 -0.001 0.000 0.291 188 G C -0.212 174.686 174.900 -0.004 0.000 1.435 188 G CA -0.858 44.239 45.100 -0.005 0.000 0.826 188 G HN 0.717 nan 8.290 nan 0.000 0.491 189 L N -0.427 120.794 121.223 -0.003 0.000 2.141 189 L HA 0.067 4.407 4.340 -0.001 0.000 0.209 189 L C 0.837 177.705 176.870 -0.002 0.000 1.094 189 L CA 0.726 55.564 54.840 -0.003 0.000 0.763 189 L CB 0.143 42.200 42.059 -0.003 0.000 0.908 189 L HN 0.404 nan 8.230 nan 0.000 0.437 190 D N 0.420 120.819 120.400 -0.003 0.000 2.295 190 D HA 0.077 4.716 4.640 -0.001 0.000 0.248 190 D C -1.518 174.781 176.300 -0.002 0.000 1.154 190 D CA -2.138 51.861 54.000 -0.002 0.000 0.857 190 D CB 1.564 42.363 40.800 -0.002 0.000 1.117 190 D HN -0.041 nan 8.370 nan 0.000 0.468 191 P HA -0.074 nan 4.420 nan 0.000 0.230 191 P C 0.404 177.704 177.300 -0.000 0.000 1.158 191 P CA 0.677 63.776 63.100 -0.001 0.000 0.769 191 P CB 0.397 32.097 31.700 0.000 0.000 0.807 192 K N -1.098 119.302 120.400 0.000 0.000 2.387 192 K HA 0.181 4.500 4.320 -0.001 0.000 0.198 192 K C 1.277 177.877 176.600 0.000 0.000 1.022 192 K CA -0.319 55.968 56.287 0.001 0.000 1.128 192 K CB -0.044 32.457 32.500 0.002 0.000 0.853 192 K HN 0.195 nan 8.250 nan 0.000 0.523 193 M N 1.948 121.547 119.600 -0.001 0.000 2.252 193 M HA 0.023 4.502 4.480 -0.001 0.000 0.329 193 M C -0.840 175.458 176.300 -0.003 0.000 1.101 193 M CA 0.761 56.060 55.300 -0.003 0.000 1.117 193 M CB 0.596 33.194 32.600 -0.004 0.000 1.563 193 M HN -0.207 nan 8.290 nan 0.000 0.445 194 V N 3.690 123.602 119.914 -0.004 0.000 2.733 194 V HA 0.760 4.879 4.120 -0.001 0.000 0.306 194 V C -0.804 175.285 176.094 -0.010 0.000 1.084 194 V CA -0.885 61.412 62.300 -0.006 0.000 0.905 194 V CB 1.593 33.414 31.823 -0.003 0.000 1.010 194 V HN 0.969 nan 8.190 nan 0.000 0.424 195 A N 3.146 125.958 122.820 -0.013 0.000 2.359 195 A HA 0.969 5.289 4.320 -0.001 0.000 0.303 195 A C -0.226 177.342 177.584 -0.025 0.000 1.066 195 A CA -0.286 51.740 52.037 -0.019 0.000 0.730 195 A CB 1.763 20.753 19.000 -0.018 0.000 1.211 195 A HN 1.051 nan 8.150 nan 0.000 0.439 196 T N -1.934 112.601 114.554 -0.032 0.000 2.896 196 T HA 0.565 4.914 4.350 -0.001 0.000 0.297 196 T C -0.794 173.872 174.700 -0.058 0.000 1.108 196 T CA -0.700 61.375 62.100 -0.042 0.000 1.004 196 T CB 1.339 70.186 68.868 -0.034 0.000 1.159 196 T HN 1.023 nan 8.240 nan 0.000 0.499 197 C N 2.612 121.868 119.300 -0.075 0.000 2.251 197 C HA 0.625 5.085 4.460 -0.001 0.000 0.323 197 C C -0.599 174.325 174.990 -0.110 0.000 1.241 197 C CA -0.395 58.566 59.018 -0.095 0.000 1.601 197 C CB -1.259 26.414 27.740 -0.112 0.000 2.251 197 C HN 0.863 nan 8.230 nan 0.000 0.488 198 D N 3.005 123.345 120.400 -0.100 0.000 2.332 198 D HA 0.277 4.917 4.640 -0.001 0.000 0.252 198 D C -0.099 176.155 176.300 -0.077 0.000 1.050 198 D CA -0.066 53.885 54.000 -0.082 0.000 0.970 198 D CB 1.421 42.185 40.800 -0.061 0.000 1.141 198 D HN 0.515 nan 8.370 nan 0.000 0.485 199 S N -0.004 115.660 115.700 -0.059 0.000 2.555 199 S HA 0.127 4.596 4.470 -0.001 0.000 0.293 199 S C 1.114 175.714 174.600 -0.001 0.000 1.248 199 S CA -0.190 57.968 58.200 -0.071 0.000 1.096 199 S CB 0.211 63.352 63.200 -0.099 0.000 0.881 199 S HN 0.528 nan 8.310 nan 0.000 0.498 200 S N 1.371 117.075 115.700 0.006 0.000 3.019 200 S HA 0.128 4.597 4.470 -0.001 0.000 0.258 200 S C -0.313 174.335 174.600 0.080 0.000 1.082 200 S CA -0.508 57.729 58.200 0.062 0.000 0.836 200 S CB -0.458 62.754 63.200 0.020 0.000 0.834 200 S HN 0.554 nan 8.310 nan 0.000 0.457 201 D N 3.345 123.788 120.400 0.071 0.000 2.571 201 D HA 0.239 4.879 4.640 -0.001 0.000 0.231 201 D C 0.145 176.516 176.300 0.117 0.000 1.133 201 D CA 0.721 54.780 54.000 0.097 0.000 0.862 201 D CB -0.004 40.871 40.800 0.125 0.000 1.179 201 D HN 0.171 nan 8.370 nan 0.000 0.474 202 R N -0.432 120.128 120.500 0.099 0.000 3.184 202 R HA -0.104 4.236 4.340 -0.001 0.000 0.257 202 R C -2.455 173.881 176.300 0.060 0.000 0.999 202 R CA 0.003 56.153 56.100 0.083 0.000 0.670 202 R CB -1.903 28.473 30.300 0.128 0.000 1.197 202 R HN 0.466 nan 8.270 nan 0.000 0.419 203 P HA 0.055 nan 4.420 nan 0.000 0.272 203 P C -0.268 177.007 177.300 -0.042 0.000 1.223 203 P CA -0.022 63.087 63.100 0.015 0.000 0.784 203 P CB 0.708 32.425 31.700 0.028 0.000 0.923 204 R N 1.367 121.815 120.500 -0.087 0.000 2.407 204 R HA 0.544 4.883 4.340 -0.001 0.000 0.303 204 R C -1.434 174.727 176.300 -0.231 0.000 0.981 204 R CA -0.755 55.236 56.100 -0.182 0.000 0.905 204 R CB 1.013 31.188 30.300 -0.210 0.000 1.099 204 R HN 0.269 nan 8.270 nan 0.000 0.459 205 V N 5.306 125.048 119.914 -0.288 0.000 2.531 205 V HA 0.373 4.493 4.120 -0.001 0.000 0.301 205 V C -1.297 174.632 176.094 -0.276 0.000 1.034 205 V CA -0.682 61.491 62.300 -0.212 0.000 0.865 205 V CB 1.576 33.337 31.823 -0.104 0.000 0.995 205 V HN 0.702 nan 8.190 nan 0.000 0.424 206 Y N 1.825 122.099 120.300 -0.042 0.000 2.341 206 Y HA 0.589 5.138 4.550 -0.001 0.000 0.337 206 Y C 0.713 176.573 175.900 -0.067 0.000 1.014 206 Y CA -0.532 57.540 58.100 -0.046 0.000 1.111 206 Y CB 2.124 40.563 38.460 -0.036 0.000 1.194 206 Y HN 0.486 nan 8.280 nan 0.000 0.462 207 T N 5.459 120.055 114.554 0.070 0.000 2.791 207 T HA 0.545 4.894 4.350 -0.001 0.000 0.288 207 T C -0.473 174.180 174.700 -0.079 0.000 0.999 207 T CA -0.534 61.555 62.100 -0.019 0.000 0.952 207 T CB 0.176 69.024 68.868 -0.033 0.000 0.938 207 T HN 0.382 nan 8.240 nan 0.000 0.444 208 I N 3.061 123.530 120.570 -0.168 0.000 2.382 208 I HA 0.255 4.425 4.170 -0.001 0.000 0.285 208 I C 0.314 176.233 176.117 -0.330 0.000 1.007 208 I CA -0.694 60.409 61.300 -0.329 0.000 1.142 208 I CB 1.602 39.245 38.000 -0.595 0.000 1.289 208 I HN 0.444 nan 8.210 nan 0.000 0.453 209 T N 5.768 120.163 114.554 -0.263 0.000 2.863 209 T HA 0.214 4.564 4.350 -0.001 0.000 0.299 209 T C 1.225 175.768 174.700 -0.262 0.000 0.973 209 T CA -0.222 61.755 62.100 -0.205 0.000 0.994 209 T CB 1.020 69.810 68.868 -0.129 0.000 0.961 209 T HN 0.771 nan 8.240 nan 0.000 0.552 210 A N 2.942 125.582 122.820 -0.301 0.000 2.067 210 A HA 0.527 4.846 4.320 -0.001 0.000 0.219 210 A C 1.205 178.726 177.584 -0.106 0.000 1.158 210 A CA 0.673 52.556 52.037 -0.257 0.000 0.661 210 A CB 0.079 19.019 19.000 -0.100 0.000 0.801 210 A HN 0.890 nan 8.150 nan 0.000 0.452 211 A N -0.825 121.948 122.820 -0.079 0.000 2.555 211 A HA 0.529 4.849 4.320 -0.001 0.000 0.297 211 A C -1.874 175.712 177.584 0.003 0.000 1.060 211 A CA -0.191 51.844 52.037 -0.003 0.000 0.710 211 A CB 0.952 19.979 19.000 0.045 0.000 1.282 211 A HN 0.087 nan 8.150 nan 0.000 0.399 212 D N 1.676 122.110 120.400 0.056 0.000 2.378 212 D HA 0.452 5.092 4.640 -0.001 0.000 0.265 212 D C -0.350 176.000 176.300 0.083 0.000 1.229 212 D CA 0.360 54.383 54.000 0.039 0.000 0.914 212 D CB 0.314 41.127 40.800 0.022 0.000 1.140 212 D HN 0.613 nan 8.370 nan 0.000 0.516 213 D N 1.633 122.081 120.400 0.080 0.000 2.746 213 D HA -0.275 4.364 4.640 -0.001 0.000 0.236 213 D C -1.033 175.361 176.300 0.155 0.000 1.129 213 D CA 0.491 54.551 54.000 0.101 0.000 0.691 213 D CB -1.278 39.568 40.800 0.078 0.000 1.077 213 D HN 0.431 nan 8.370 nan 0.000 0.432 214 Y N 1.147 121.507 120.300 0.100 0.000 2.402 214 Y HA 0.291 4.841 4.550 -0.001 0.000 0.333 214 Y C 0.142 176.157 175.900 0.192 0.000 1.076 214 Y CA 0.009 58.195 58.100 0.142 0.000 1.299 214 Y CB 0.629 39.199 38.460 0.184 0.000 1.197 214 Y HN 0.003 nan 8.280 nan 0.000 0.517 215 Q N 7.369 126.780 119.800 -0.648 0.000 2.331 215 Q HA 0.171 4.510 4.340 -0.001 0.000 0.257 215 Q C -1.530 173.964 176.000 -0.843 0.000 0.957 215 Q CA -0.447 55.041 55.803 -0.525 0.000 0.923 215 Q CB 1.343 29.899 28.738 -0.303 0.000 1.212 215 Q HN 0.719 nan 8.270 nan 0.000 0.443 216 F N 1.675 121.109 119.950 -0.860 0.000 2.444 216 F HA 0.410 4.937 4.527 -0.001 0.000 0.342 216 F C -0.626 174.773 175.800 -0.668 0.000 1.121 216 F CA -0.501 56.936 58.000 -0.939 0.000 0.997 216 F CB 1.595 39.484 39.000 -1.851 0.000 1.130 216 F HN 0.257 nan 8.300 nan 0.000 0.454 217 S N 4.688 119.676 115.700 -1.187 0.000 2.779 217 S HA 0.635 5.104 4.470 -0.001 0.000 0.293 217 S C -1.234 172.835 174.600 -0.884 0.000 1.150 217 S CA -0.375 57.306 58.200 -0.866 0.000 1.057 217 S CB 0.896 63.828 63.200 -0.446 0.000 1.021 217 S HN 0.879 nan 8.310 nan 0.000 0.485 218 S N 3.341 118.581 115.700 -0.767 0.000 2.570 218 S HA 0.584 5.054 4.470 -0.001 0.000 0.270 218 S C -1.767 172.757 174.600 -0.127 0.000 1.149 218 S CA -0.643 57.312 58.200 -0.409 0.000 0.837 218 S CB 1.304 64.279 63.200 -0.374 0.000 1.124 218 S HN 0.612 nan 8.310 nan 0.000 0.465 219 Q N 1.935 121.708 119.800 -0.046 0.000 2.293 219 Q HA 0.403 4.743 4.340 -0.001 0.000 0.251 219 Q C -0.664 175.412 176.000 0.128 0.000 0.930 219 Q CA -0.194 55.632 55.803 0.037 0.000 0.893 219 Q CB 0.255 29.001 28.738 0.014 0.000 1.215 219 Q HN 0.614 nan 8.270 nan 0.000 0.425 220 Y N 1.605 121.924 120.300 0.031 0.000 2.469 220 Y HA 0.084 4.634 4.550 -0.001 0.000 0.353 220 Y C -0.244 175.684 175.900 0.047 0.000 1.269 220 Y CA 0.283 58.416 58.100 0.056 0.000 1.504 220 Y CB 0.503 38.995 38.460 0.053 0.000 1.369 220 Y HN 0.619 nan 8.280 nan 0.000 0.654 221 Q N 1.651 120.866 119.800 -0.974 0.000 2.468 221 Q HA 0.190 4.530 4.340 -0.001 0.000 0.263 221 Q C -1.388 174.027 176.000 -0.976 0.000 0.979 221 Q CA -0.592 54.807 55.803 -0.674 0.000 0.932 221 Q CB 1.778 30.358 28.738 -0.263 0.000 1.462 221 Q HN 0.767 nan 8.270 nan 0.000 0.403 222 S N 0.808 116.180 115.700 -0.547 0.000 2.575 222 S HA 0.325 4.795 4.470 -0.001 0.000 0.295 222 S C 1.115 175.608 174.600 -0.178 0.000 1.267 222 S CA 2.061 60.073 58.200 -0.313 0.000 1.074 222 S CB -0.136 62.984 63.200 -0.133 0.000 0.829 222 S HN 1.014 nan 8.310 nan 0.000 0.497 223 G N 2.981 111.752 108.800 -0.048 0.000 2.258 223 G HA2 0.080 4.040 3.960 -0.001 0.000 0.233 223 G HA3 0.080 4.040 3.960 -0.001 0.000 0.233 223 G C 1.026 175.970 174.900 0.073 0.000 1.006 223 G CA 0.186 45.299 45.100 0.021 0.000 0.620 223 G HN 2.218 nan 8.290 nan 0.000 0.511 224 G N -1.940 106.905 108.800 0.076 0.000 2.697 224 G HA2 0.343 4.303 3.960 -0.001 0.000 0.686 224 G HA3 0.343 4.303 3.960 -0.001 0.000 0.686 224 G C -0.460 174.516 174.900 0.126 0.000 1.179 224 G CA -0.003 45.219 45.100 0.203 0.000 0.765 224 G HN 1.507 nan 8.290 nan 0.000 0.649 225 V N 1.742 121.782 119.914 0.209 0.000 2.461 225 V HA 0.620 4.740 4.120 -0.001 0.000 0.275 225 V C 0.907 177.124 176.094 0.205 0.000 1.047 225 V CA 0.084 62.509 62.300 0.208 0.000 0.955 225 V CB 1.319 33.343 31.823 0.335 0.000 0.988 225 V HN 0.929 nan 8.190 nan 0.000 0.471 226 T N 6.784 121.428 114.554 0.151 0.000 2.859 226 T HA 0.744 5.094 4.350 -0.001 0.000 0.281 226 T C -0.216 174.566 174.700 0.137 0.000 1.005 226 T CA -0.199 61.975 62.100 0.123 0.000 1.025 226 T CB 1.121 70.037 68.868 0.080 0.000 0.977 226 T HN 0.696 nan 8.240 nan 0.000 0.458 227 I N -0.979 119.666 120.570 0.125 0.000 2.865 227 I HA 0.662 4.832 4.170 -0.001 0.000 0.302 227 I C -0.877 175.287 176.117 0.078 0.000 1.140 227 I CA -0.883 60.499 61.300 0.136 0.000 1.021 227 I CB 2.597 40.732 38.000 0.225 0.000 1.233 227 I HN 0.348 nan 8.210 nan 0.000 0.427 228 T N 5.405 119.985 114.554 0.042 0.000 2.853 228 T HA 0.258 4.608 4.350 -0.001 0.000 0.317 228 T C 0.735 175.432 174.700 -0.005 0.000 1.059 228 T CA -0.273 61.814 62.100 -0.021 0.000 0.954 228 T CB 1.100 69.926 68.868 -0.070 0.000 0.994 228 T HN 0.594 nan 8.240 nan 0.000 0.479 229 L N 4.285 125.511 121.223 0.005 0.000 2.083 229 L HA 0.203 4.542 4.340 -0.001 0.000 0.209 229 L C 0.208 177.145 176.870 0.111 0.000 1.083 229 L CA 1.786 56.652 54.840 0.043 0.000 0.752 229 L CB -0.275 41.857 42.059 0.123 0.000 0.899 229 L HN 0.724 nan 8.230 nan 0.000 0.433 230 F N -3.467 116.455 119.950 -0.046 0.000 2.741 230 F HA 0.600 5.127 4.527 -0.001 0.000 0.311 230 F C -0.851 174.923 175.800 -0.043 0.000 1.149 230 F CA -0.918 57.048 58.000 -0.056 0.000 0.930 230 F CB 0.603 39.559 39.000 -0.073 0.000 1.312 230 F HN -0.332 nan 8.300 nan 0.000 0.450 231 S N 1.526 117.354 115.700 0.214 0.000 2.575 231 S HA 0.906 5.376 4.470 -0.001 0.000 0.278 231 S C -1.428 173.300 174.600 0.213 0.000 1.139 231 S CA 0.182 58.428 58.200 0.075 0.000 0.954 231 S CB 1.129 64.322 63.200 -0.011 0.000 1.054 231 S HN 1.711 nan 8.310 nan 0.000 0.483 232 A N 4.039 126.970 122.820 0.186 0.000 2.515 232 A HA 0.738 5.058 4.320 -0.001 0.000 0.298 232 A C -1.052 176.522 177.584 -0.017 0.000 1.059 232 A CA -0.892 51.200 52.037 0.092 0.000 0.698 232 A CB 1.159 20.215 19.000 0.093 0.000 1.289 232 A HN 0.730 nan 8.150 nan 0.000 0.404 233 N N 1.156 119.825 118.700 -0.051 0.000 2.458 233 N HA 0.600 5.340 4.740 -0.001 0.000 0.270 233 N C -0.412 174.976 175.510 -0.204 0.000 1.102 233 N CA 0.232 53.237 53.050 -0.075 0.000 0.967 233 N CB 0.825 39.298 38.487 -0.023 0.000 1.078 233 N HN 0.749 nan 8.380 nan 0.000 0.471 234 I N -2.088 118.342 120.570 -0.234 0.000 3.102 234 I HA 0.564 4.734 4.170 -0.001 0.000 0.310 234 I C -1.274 174.778 176.117 -0.108 0.000 1.246 234 I CA -0.945 60.070 61.300 -0.475 0.000 0.979 234 I CB 2.783 40.322 38.000 -0.769 0.000 1.267 234 I HN 0.050 nan 8.210 nan 0.000 0.451 235 D N 2.384 122.828 120.400 0.073 0.000 2.481 235 D HA 0.758 5.398 4.640 -0.001 0.000 0.244 235 D C -1.058 175.314 176.300 0.120 0.000 1.057 235 D CA -0.277 53.795 54.000 0.120 0.000 0.848 235 D CB 2.440 43.344 40.800 0.174 0.000 1.388 235 D HN 0.918 nan 8.370 nan 0.000 0.475 236 A N 1.850 124.706 122.820 0.061 0.000 2.540 236 A HA 0.475 4.794 4.320 -0.001 0.000 0.297 236 A C -0.415 177.160 177.584 -0.015 0.000 1.056 236 A CA -0.508 51.552 52.037 0.038 0.000 0.700 236 A CB 0.950 19.972 19.000 0.037 0.000 1.280 236 A HN 0.580 nan 8.150 nan 0.000 0.398 237 I N 0.449 120.997 120.570 -0.036 0.000 4.338 237 I HA 0.113 4.283 4.170 -0.001 0.000 0.315 237 I C 1.070 177.158 176.117 -0.048 0.000 1.262 237 I CA 1.209 62.442 61.300 -0.111 0.000 1.298 237 I CB 0.881 38.739 38.000 -0.237 0.000 1.257 237 I HN 0.853 nan 8.210 nan 0.000 0.444 238 T N -2.447 112.119 114.554 0.020 0.000 2.724 238 T HA 0.410 4.760 4.350 -0.001 0.000 0.274 238 T C 0.135 174.877 174.700 0.070 0.000 0.984 238 T CA -0.633 61.497 62.100 0.051 0.000 1.024 238 T CB 1.186 70.113 68.868 0.098 0.000 1.320 238 T HN -0.068 nan 8.240 nan 0.000 0.555 239 S N 1.040 116.799 115.700 0.098 0.000 2.643 239 S HA 0.303 4.772 4.470 -0.001 0.000 0.310 239 S C 0.134 174.854 174.600 0.200 0.000 1.253 239 S CA -0.117 58.180 58.200 0.162 0.000 1.047 239 S CB -1.079 62.248 63.200 0.212 0.000 0.767 239 S HN 0.871 nan 8.310 nan 0.000 0.498 240 L N -0.457 120.851 121.223 0.141 0.000 2.479 240 L HA 0.947 5.287 4.340 -0.001 0.000 0.255 240 L C -0.619 176.277 176.870 0.043 0.000 1.026 240 L CA -0.996 53.818 54.840 -0.043 0.000 0.842 240 L CB 2.309 44.348 42.059 -0.032 0.000 1.444 240 L HN 0.594 nan 8.230 nan 0.000 0.409 241 S N 0.395 116.069 115.700 -0.042 0.000 2.549 241 S HA 0.831 5.301 4.470 -0.001 0.000 0.280 241 S C -0.903 173.720 174.600 0.037 0.000 1.109 241 S CA -0.656 57.591 58.200 0.079 0.000 0.905 241 S CB 1.753 65.076 63.200 0.204 0.000 1.081 241 S HN 0.646 nan 8.310 nan 0.000 0.477 242 I N 1.803 122.413 120.570 0.068 0.000 2.436 242 I HA 0.695 4.865 4.170 -0.001 0.000 0.289 242 I C 0.558 176.738 176.117 0.106 0.000 1.010 242 I CA -0.434 60.904 61.300 0.063 0.000 1.098 242 I CB 1.930 39.967 38.000 0.062 0.000 1.266 242 I HN 0.952 nan 8.210 nan 0.000 0.434 243 G N 2.931 111.781 108.800 0.083 0.000 2.816 243 G HA2 0.884 4.843 3.960 -0.001 0.000 0.288 243 G HA3 0.884 4.843 3.960 -0.001 0.000 0.288 243 G C -0.500 174.474 174.900 0.123 0.000 1.334 243 G CA -0.473 44.705 45.100 0.129 0.000 0.978 243 G HN 1.004 nan 8.290 nan 0.000 0.493 244 G N -0.984 107.930 108.800 0.189 0.000 2.318 244 G HA2 0.497 4.456 3.960 -0.001 0.000 0.367 244 G HA3 0.497 4.456 3.960 -0.001 0.000 0.367 244 G C -0.755 174.390 174.900 0.408 0.000 1.260 244 G CA 0.447 45.659 45.100 0.187 0.000 1.055 244 G HN 1.652 nan 8.290 nan 0.000 0.484 245 E N -1.461 118.961 120.200 0.370 0.000 2.388 245 E HA 0.586 4.936 4.350 -0.001 0.000 0.281 245 E C -1.880 174.896 176.600 0.294 0.000 1.046 245 E CA -1.070 55.566 56.400 0.394 0.000 0.825 245 E CB 1.258 31.050 29.700 0.153 0.000 1.243 245 E HN 0.739 nan 8.360 nan 0.000 0.438 246 L N 2.170 123.564 121.223 0.285 0.000 2.346 246 L HA 0.648 4.988 4.340 -0.001 0.000 0.274 246 L C -0.888 175.927 176.870 -0.092 0.000 1.007 246 L CA -1.307 53.549 54.840 0.028 0.000 0.818 246 L CB 2.064 44.143 42.059 0.032 0.000 1.284 246 L HN 0.468 nan 8.230 nan 0.000 0.424 247 V N 2.859 122.602 119.914 -0.286 0.000 2.448 247 V HA 0.452 4.571 4.120 -0.001 0.000 0.295 247 V C -0.715 175.127 176.094 -0.421 0.000 1.025 247 V CA -0.477 61.692 62.300 -0.218 0.000 0.859 247 V CB 1.589 33.299 31.823 -0.189 0.000 0.988 247 V HN 0.374 nan 8.190 nan 0.000 0.431 248 F N 2.700 122.551 119.950 -0.166 0.000 2.495 248 F HA 0.606 5.133 4.527 -0.001 0.000 0.327 248 F C 0.382 176.186 175.800 0.007 0.000 1.103 248 F CA -0.421 57.500 58.000 -0.133 0.000 0.949 248 F CB 1.510 40.375 39.000 -0.225 0.000 1.142 248 F HN 0.470 nan 8.300 nan 0.000 0.457 249 H N 0.094 119.333 119.070 0.281 0.000 2.572 249 H HA 0.644 5.200 4.556 -0.001 0.000 0.359 249 H C -0.711 174.770 175.328 0.254 0.000 1.134 249 H CA -0.872 55.296 56.048 0.200 0.000 1.187 249 H CB 2.412 32.262 29.762 0.146 0.000 1.597 249 H HN 0.580 nan 8.280 nan 0.000 0.524 250 T N 0.130 114.857 114.554 0.288 0.000 2.885 250 T HA 0.133 4.482 4.350 -0.001 0.000 0.322 250 T C 0.308 175.047 174.700 0.066 0.000 1.387 250 T CA -0.385 61.840 62.100 0.208 0.000 1.041 250 T CB 1.120 70.117 68.868 0.215 0.000 1.287 250 T HN 0.653 nan 8.240 nan 0.000 0.491 251 S N 1.489 117.215 115.700 0.044 0.000 2.523 251 S HA 0.313 4.783 4.470 -0.001 0.000 0.217 251 S C 0.489 175.061 174.600 -0.047 0.000 0.996 251 S CA -0.166 58.024 58.200 -0.015 0.000 0.921 251 S CB 0.173 63.382 63.200 0.016 0.000 0.829 251 S HN 0.490 nan 8.310 nan 0.000 0.495 252 V N 3.673 123.582 119.914 -0.009 0.000 2.607 252 V HA 0.331 4.451 4.120 -0.001 0.000 0.289 252 V C 0.192 176.247 176.094 -0.064 0.000 1.053 252 V CA -0.565 61.751 62.300 0.026 0.000 0.996 252 V CB 0.796 32.661 31.823 0.070 0.000 0.995 252 V HN 0.511 nan 8.190 nan 0.000 0.476 253 H N 2.291 121.379 119.070 0.030 0.000 2.508 253 H HA 0.409 4.965 4.556 -0.001 0.000 0.344 253 H C 1.218 176.547 175.328 0.002 0.000 1.192 253 H CA 0.372 56.431 56.048 0.018 0.000 1.290 253 H CB 1.552 31.318 29.762 0.008 0.000 1.571 253 H HN 0.914 nan 8.280 nan 0.000 0.555 254 G N 1.216 110.081 108.800 0.108 0.000 2.162 254 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.260 254 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.260 254 G C 0.204 175.095 174.900 -0.015 0.000 0.976 254 G CA 0.112 45.231 45.100 0.032 0.000 0.655 254 G HN 0.412 nan 8.290 nan 0.000 0.533 255 L N 0.362 121.587 121.223 0.002 0.000 2.417 255 L HA 0.648 4.987 4.340 -0.001 0.000 0.268 255 L C 0.701 177.549 176.870 -0.037 0.000 1.158 255 L CA 0.070 54.909 54.840 -0.001 0.000 0.819 255 L CB 1.445 43.551 42.059 0.080 0.000 1.112 255 L HN 0.414 nan 8.230 nan 0.000 0.458 256 A N 3.928 126.717 122.820 -0.051 0.000 2.455 256 A HA 0.814 5.133 4.320 -0.001 0.000 0.300 256 A C -1.070 176.450 177.584 -0.106 0.000 1.040 256 A CA -0.532 51.453 52.037 -0.086 0.000 0.697 256 A CB 1.360 20.322 19.000 -0.063 0.000 1.265 256 A HN 0.593 nan 8.150 nan 0.000 0.407 257 L N 1.391 122.497 121.223 -0.195 0.000 2.342 257 L HA 0.632 4.972 4.340 -0.001 0.000 0.271 257 L C -1.086 175.676 176.870 -0.181 0.000 1.008 257 L CA -0.957 53.735 54.840 -0.246 0.000 0.818 257 L CB 2.125 43.867 42.059 -0.528 0.000 1.296 257 L HN 0.550 nan 8.230 nan 0.000 0.427 258 D N 1.429 121.753 120.400 -0.126 0.000 2.498 258 D HA 0.736 5.376 4.640 -0.001 0.000 0.247 258 D C -0.957 175.300 176.300 -0.072 0.000 1.070 258 D CA -0.121 53.830 54.000 -0.081 0.000 0.842 258 D CB 2.447 43.230 40.800 -0.027 0.000 1.361 258 D HN 0.628 nan 8.370 nan 0.000 0.484 259 A N 1.334 124.117 122.820 -0.061 0.000 2.422 259 A HA 0.749 5.069 4.320 -0.001 0.000 0.302 259 A C -0.643 176.943 177.584 0.004 0.000 1.041 259 A CA -0.531 51.502 52.037 -0.006 0.000 0.708 259 A CB 1.637 20.646 19.000 0.014 0.000 1.257 259 A HN 0.350 nan 8.150 nan 0.000 0.414 260 T N 2.686 117.259 114.554 0.032 0.000 2.893 260 T HA 0.530 4.880 4.350 -0.001 0.000 0.293 260 T C -0.651 174.006 174.700 -0.072 0.000 1.027 260 T CA -0.312 61.753 62.100 -0.059 0.000 0.988 260 T CB 1.001 69.788 68.868 -0.135 0.000 1.043 260 T HN 0.487 nan 8.240 nan 0.000 0.461 261 I N 3.042 123.507 120.570 -0.176 0.000 2.412 261 I HA 0.423 4.593 4.170 -0.001 0.000 0.296 261 I C -1.054 174.874 176.117 -0.315 0.000 0.987 261 I CA -0.663 60.562 61.300 -0.126 0.000 1.180 261 I CB 1.374 39.355 38.000 -0.032 0.000 1.340 261 I HN 0.657 nan 8.210 nan 0.000 0.455 262 Y N 5.758 126.017 120.300 -0.069 0.000 2.409 262 Y HA 0.510 5.060 4.550 -0.001 0.000 0.343 262 Y C -0.181 175.683 175.900 -0.060 0.000 0.973 262 Y CA -0.698 57.368 58.100 -0.057 0.000 1.064 262 Y CB 1.894 40.314 38.460 -0.066 0.000 1.207 262 Y HN 0.282 nan 8.280 nan 0.000 0.452 263 L N 5.178 126.452 121.223 0.084 0.000 2.305 263 L HA 0.501 4.840 4.340 -0.001 0.000 0.284 263 L C -0.953 175.946 176.870 0.049 0.000 1.013 263 L CA -0.737 54.128 54.840 0.041 0.000 0.819 263 L CB 0.986 43.053 42.059 0.014 0.000 1.227 263 L HN 0.465 nan 8.230 nan 0.000 0.417 264 I N 2.236 122.824 120.570 0.030 0.000 2.437 264 I HA 0.442 4.612 4.170 -0.001 0.000 0.298 264 I C 0.884 177.013 176.117 0.019 0.000 0.984 264 I CA -0.321 60.992 61.300 0.021 0.000 1.214 264 I CB 1.381 39.380 38.000 -0.002 0.000 1.365 264 I HN 0.539 nan 8.210 nan 0.000 0.469 265 G N 3.007 111.822 108.800 0.024 0.000 2.580 265 G HA2 0.217 4.177 3.960 -0.001 0.000 0.278 265 G HA3 0.217 4.177 3.960 -0.001 0.000 0.278 265 G C 0.340 175.288 174.900 0.080 0.000 1.212 265 G CA -0.335 44.794 45.100 0.048 0.000 0.939 265 G HN 0.567 nan 8.290 nan 0.000 0.513 266 F N 0.537 120.460 119.950 -0.046 0.000 2.269 266 F HA -0.101 4.426 4.527 -0.000 0.000 0.301 266 F C 2.093 177.826 175.800 -0.111 0.000 1.082 266 F CA 1.803 59.715 58.000 -0.146 0.000 1.360 266 F CB 0.249 39.041 39.000 -0.347 0.000 1.041 266 F HN 0.422 nan 8.300 nan 0.000 0.512 267 D N -1.152 119.250 120.400 0.004 0.000 2.325 267 D HA 0.177 4.817 4.640 -0.001 0.000 0.225 267 D C 1.809 178.089 176.300 -0.033 0.000 1.096 267 D CA 0.689 54.681 54.000 -0.015 0.000 0.844 267 D CB -0.410 40.537 40.800 0.245 0.000 0.925 267 D HN 0.379 nan 8.370 nan 0.000 0.513 268 G N -0.618 108.148 108.800 -0.057 0.000 2.199 268 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.254 268 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.254 268 G C 0.548 175.440 174.900 -0.014 0.000 0.982 268 G CA 0.369 45.440 45.100 -0.048 0.000 0.632 268 G HN 0.493 nan 8.290 nan 0.000 0.529 269 T N 1.870 116.436 114.554 0.021 0.000 2.898 269 T HA 0.486 4.836 4.350 -0.001 0.000 0.301 269 T C 0.684 175.405 174.700 0.036 0.000 1.049 269 T CA 0.867 62.989 62.100 0.036 0.000 1.095 269 T CB 0.904 69.815 68.868 0.071 0.000 0.976 269 T HN 0.198 nan 8.240 nan 0.000 0.539 270 T N 2.920 117.502 114.554 0.047 0.000 2.794 270 T HA 0.231 4.580 4.350 -0.001 0.000 0.296 270 T C 1.290 176.028 174.700 0.063 0.000 0.949 270 T CA -0.535 61.611 62.100 0.075 0.000 1.101 270 T CB 0.874 69.817 68.868 0.125 0.000 0.905 270 T HN 0.360 nan 8.240 nan 0.000 0.516 271 V N 4.007 123.951 119.914 0.049 0.000 2.922 271 V HA 0.357 4.477 4.120 -0.001 0.000 0.242 271 V C 0.557 176.664 176.094 0.022 0.000 1.094 271 V CA 0.680 62.995 62.300 0.024 0.000 1.106 271 V CB 0.050 31.871 31.823 -0.004 0.000 0.799 271 V HN 0.723 nan 8.190 nan 0.000 0.474 272 I N 0.064 120.648 120.570 0.024 0.000 2.722 272 I HA 0.471 4.641 4.170 -0.001 0.000 0.295 272 I C -0.691 175.394 176.117 -0.054 0.000 1.161 272 I CA -0.255 61.041 61.300 -0.007 0.000 1.032 272 I CB 2.621 40.613 38.000 -0.013 0.000 1.244 272 I HN 0.160 nan 8.210 nan 0.000 0.421 273 T N 2.800 117.284 114.554 -0.116 0.000 2.886 273 T HA 0.723 5.073 4.350 -0.001 0.000 0.292 273 T C -0.843 173.727 174.700 -0.217 0.000 1.012 273 T CA -0.842 61.079 62.100 -0.299 0.000 0.982 273 T CB 2.061 70.709 68.868 -0.366 0.000 1.018 273 T HN 0.477 nan 8.240 nan 0.000 0.451 274 R N 1.510 121.863 120.500 -0.245 0.000 2.584 274 R HA 0.714 5.054 4.340 -0.001 0.000 0.276 274 R C -0.633 175.590 176.300 -0.129 0.000 1.046 274 R CA -0.670 55.349 56.100 -0.135 0.000 0.906 274 R CB 1.973 32.231 30.300 -0.069 0.000 1.215 274 R HN 1.000 nan 8.270 nan 0.000 0.449 275 A N 1.771 124.536 122.820 -0.093 0.000 2.401 275 A HA 0.413 4.733 4.320 -0.001 0.000 0.259 275 A C 0.729 178.278 177.584 -0.059 0.000 1.103 275 A CA -0.292 51.699 52.037 -0.077 0.000 0.789 275 A CB 0.565 19.526 19.000 -0.066 0.000 1.035 275 A HN 0.451 nan 8.150 nan 0.000 0.491 276 V N 0.978 120.855 119.914 -0.062 0.000 3.572 276 V HA 0.447 4.567 4.120 -0.001 0.000 0.260 276 V C 0.804 176.785 176.094 -0.189 0.000 1.324 276 V CA 1.077 63.313 62.300 -0.107 0.000 1.068 276 V CB -0.120 31.681 31.823 -0.036 0.000 0.837 276 V HN 1.185 nan 8.190 nan 0.000 0.450 277 A N -0.287 122.447 122.820 -0.143 0.000 2.488 277 A HA 0.757 5.077 4.320 -0.001 0.000 0.295 277 A C -0.703 176.815 177.584 -0.110 0.000 1.045 277 A CA -0.159 51.785 52.037 -0.155 0.000 0.703 277 A CB 1.947 20.831 19.000 -0.194 0.000 1.271 277 A HN 0.069 nan 8.150 nan 0.000 0.400 278 S N 2.016 117.658 115.700 -0.098 0.000 2.756 278 S HA 0.504 4.974 4.470 -0.001 0.000 0.303 278 S C -0.278 174.280 174.600 -0.070 0.000 1.135 278 S CA 0.503 58.660 58.200 -0.071 0.000 1.066 278 S CB 0.670 63.836 63.200 -0.056 0.000 1.008 278 S HN 1.779 nan 8.310 nan 0.000 0.482 279 D N 3.423 123.784 120.400 -0.066 0.000 2.708 279 D HA -0.217 4.422 4.640 -0.001 0.000 0.236 279 D C -0.525 175.726 176.300 -0.082 0.000 1.146 279 D CA 0.761 54.725 54.000 -0.061 0.000 0.662 279 D CB -1.321 39.455 40.800 -0.039 0.000 1.059 279 D HN 0.504 nan 8.370 nan 0.000 0.428 280 N N 0.405 119.034 118.700 -0.118 0.000 2.402 280 N HA 0.376 5.116 4.740 -0.001 0.000 0.252 280 N C 0.315 175.739 175.510 -0.143 0.000 1.118 280 N CA 0.546 53.515 53.050 -0.136 0.000 0.945 280 N CB 0.634 39.009 38.487 -0.186 0.000 1.147 280 N HN 0.383 nan 8.380 nan 0.000 0.495 281 G N 3.187 111.928 108.800 -0.098 0.000 2.432 281 G HA2 0.389 4.348 3.960 -0.001 0.000 0.257 281 G HA3 0.389 4.348 3.960 -0.001 0.000 0.257 281 G C -0.017 174.833 174.900 -0.083 0.000 1.238 281 G CA -0.439 44.612 45.100 -0.082 0.000 0.838 281 G HN 0.610 nan 8.290 nan 0.000 0.547 282 L N 1.531 122.709 121.223 -0.076 0.000 2.295 282 L HA 0.368 4.708 4.340 -0.001 0.000 0.285 282 L C 0.452 177.307 176.870 -0.026 0.000 1.035 282 L CA -0.583 54.225 54.840 -0.054 0.000 0.806 282 L CB 1.867 43.895 42.059 -0.052 0.000 1.214 282 L HN 0.376 nan 8.230 nan 0.000 0.426 283 T N 0.915 115.462 114.554 -0.012 0.000 2.867 283 T HA 0.321 4.670 4.350 -0.001 0.000 0.282 283 T C 0.179 174.860 174.700 -0.033 0.000 1.000 283 T CA -0.558 61.532 62.100 -0.017 0.000 1.042 283 T CB 1.285 70.155 68.868 0.003 0.000 0.973 283 T HN 0.624 nan 8.240 nan 0.000 0.465 284 T N 0.528 115.017 114.554 -0.108 0.000 2.918 284 T HA 0.447 4.797 4.350 -0.001 0.000 0.302 284 T C 1.411 176.076 174.700 -0.058 0.000 1.045 284 T CA -0.115 61.901 62.100 -0.140 0.000 1.114 284 T CB 0.548 69.198 68.868 -0.363 0.000 0.965 284 T HN 1.004 nan 8.240 nan 0.000 0.540 285 G N 1.296 110.066 108.800 -0.049 0.000 2.283 285 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.280 285 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.280 285 G C -0.076 174.806 174.900 -0.030 0.000 1.029 285 G CA 0.321 45.388 45.100 -0.054 0.000 0.840 285 G HN 0.832 nan 8.290 nan 0.000 0.505 286 I N -0.893 119.687 120.570 0.018 0.000 3.074 286 I HA 0.300 4.469 4.170 -0.001 0.000 0.310 286 I C -0.898 175.322 176.117 0.171 0.000 1.153 286 I CA -1.068 60.269 61.300 0.061 0.000 0.993 286 I CB 1.944 39.972 38.000 0.047 0.000 1.237 286 I HN -0.117 nan 8.210 nan 0.000 0.443 287 D N 3.832 124.335 120.400 0.171 0.000 2.316 287 D HA 0.196 4.836 4.640 -0.001 0.000 0.245 287 D C -0.750 175.625 176.300 0.124 0.000 1.171 287 D CA -0.091 54.032 54.000 0.206 0.000 0.856 287 D CB 0.835 41.724 40.800 0.148 0.000 1.090 287 D HN 0.306 nan 8.370 nan 0.000 0.476 288 N N 3.004 121.786 118.700 0.137 0.000 2.422 288 N HA 0.249 4.989 4.740 -0.001 0.000 0.266 288 N C -0.183 175.389 175.510 0.103 0.000 1.007 288 N CA -0.319 52.790 53.050 0.099 0.000 0.941 288 N CB 1.949 40.494 38.487 0.097 0.000 1.115 288 N HN 0.261 nan 8.380 nan 0.000 0.492 289 L N 2.041 123.294 121.223 0.051 0.000 2.289 289 L HA 0.517 4.857 4.340 -0.001 0.000 0.285 289 L C 0.308 177.179 176.870 0.002 0.000 1.049 289 L CA -0.352 54.509 54.840 0.035 0.000 0.804 289 L CB 1.344 43.410 42.059 0.013 0.000 1.195 289 L HN 0.358 nan 8.230 nan 0.000 0.428 290 M N 6.608 126.208 119.600 0.001 0.000 1.987 290 M HA 0.403 4.883 4.480 -0.001 0.000 0.298 290 M C -2.637 173.500 176.300 -0.272 0.000 0.892 290 M CA -1.567 53.656 55.300 -0.128 0.000 0.885 290 M CB 1.805 34.392 32.600 -0.023 0.000 1.469 290 M HN 0.219 nan 8.290 nan 0.000 0.389 291 P HA 0.346 nan 4.420 nan 0.000 0.279 291 P C -1.407 175.605 177.300 -0.480 0.000 1.252 291 P CA -0.144 62.830 63.100 -0.210 0.000 0.811 291 P CB 0.850 32.501 31.700 -0.082 0.000 1.035 292 F N 0.933 120.892 119.950 0.015 0.000 2.467 292 F HA 0.398 4.925 4.527 -0.001 0.000 0.336 292 F C 1.021 176.830 175.800 0.015 0.000 1.123 292 F CA -0.269 57.741 58.000 0.016 0.000 0.964 292 F CB 1.338 40.354 39.000 0.026 0.000 1.136 292 F HN 0.170 nan 8.300 nan 0.000 0.447 293 N N 4.356 123.126 118.700 0.117 0.000 2.733 293 N HA 0.296 5.035 4.740 -0.001 0.000 0.271 293 N C -1.517 174.038 175.510 0.075 0.000 1.720 293 N CA -0.025 53.075 53.050 0.083 0.000 0.803 293 N CB 0.883 39.391 38.487 0.035 0.000 1.208 293 N HN 0.539 nan 8.380 nan 0.000 0.498 294 L N 0.761 122.046 121.223 0.104 0.000 2.317 294 L HA 0.598 4.937 4.340 -0.001 0.000 0.281 294 L C -0.429 176.488 176.870 0.079 0.000 1.024 294 L CA -0.710 54.179 54.840 0.081 0.000 0.810 294 L CB 2.109 44.224 42.059 0.093 0.000 1.240 294 L HN -0.137 nan 8.230 nan 0.000 0.427 295 V N 4.860 124.812 119.914 0.064 0.000 2.443 295 V HA 0.378 4.498 4.120 -0.001 0.000 0.293 295 V C -0.613 175.516 176.094 0.059 0.000 1.021 295 V CA -0.440 61.907 62.300 0.078 0.000 0.848 295 V CB 1.832 33.694 31.823 0.065 0.000 0.998 295 V HN 0.406 nan 8.190 nan 0.000 0.424 296 I N 8.562 129.172 120.570 0.068 0.000 2.330 296 I HA 0.410 4.580 4.170 -0.001 0.000 0.286 296 I C -2.002 174.149 176.117 0.057 0.000 1.025 296 I CA -2.226 59.102 61.300 0.047 0.000 1.197 296 I CB 1.598 39.618 38.000 0.034 0.000 1.358 296 I HN 0.415 nan 8.210 nan 0.000 0.467 297 P HA 0.129 nan 4.420 nan 0.000 0.274 297 P C 0.584 177.902 177.300 0.030 0.000 1.231 297 P CA -0.198 62.923 63.100 0.035 0.000 0.790 297 P CB 0.951 32.662 31.700 0.019 0.000 0.951 298 T N 1.170 115.742 114.554 0.031 0.000 2.665 298 T HA -0.178 4.172 4.350 -0.001 0.000 0.268 298 T C 1.649 176.356 174.700 0.012 0.000 1.035 298 T CA 2.075 64.188 62.100 0.023 0.000 1.151 298 T CB -0.921 67.962 68.868 0.026 0.000 0.862 298 T HN 0.642 nan 8.240 nan 0.000 0.438 299 N N 1.428 120.135 118.700 0.012 0.000 2.430 299 N HA -0.169 4.571 4.740 -0.001 0.000 0.186 299 N C 1.379 176.896 175.510 0.012 0.000 1.032 299 N CA 1.083 54.140 53.050 0.012 0.000 0.893 299 N CB -0.223 38.271 38.487 0.011 0.000 0.957 299 N HN 0.512 nan 8.380 nan 0.000 0.442 300 E N 0.042 120.248 120.200 0.010 0.000 2.318 300 E HA 0.208 4.558 4.350 -0.001 0.000 0.193 300 E C 0.137 176.739 176.600 0.003 0.000 0.998 300 E CA -0.068 56.337 56.400 0.008 0.000 0.859 300 E CB 0.320 30.025 29.700 0.007 0.000 0.812 300 E HN 0.386 nan 8.360 nan 0.000 0.492 301 I N 2.191 122.759 120.570 -0.003 0.000 2.347 301 I HA -0.033 4.136 4.170 -0.001 0.000 0.294 301 I C 1.426 177.522 176.117 -0.034 0.000 1.090 301 I CA -0.001 61.286 61.300 -0.021 0.000 1.314 301 I CB 1.143 39.127 38.000 -0.026 0.000 1.423 301 I HN 0.055 nan 8.210 nan 0.000 0.503 302 T N 1.901 116.431 114.554 -0.040 0.000 3.081 302 T HA 0.060 4.409 4.350 -0.001 0.000 0.255 302 T C 0.425 175.018 174.700 -0.178 0.000 1.113 302 T CA 0.152 62.232 62.100 -0.033 0.000 1.082 302 T CB -0.019 68.865 68.868 0.027 0.000 0.939 302 T HN 0.709 nan 8.240 nan 0.000 0.506 303 Q N -0.683 118.938 119.800 -0.298 0.000 2.578 303 Q HA 0.566 4.906 4.340 -0.001 0.000 0.284 303 Q C -3.493 172.351 176.000 -0.260 0.000 0.960 303 Q CA -2.408 53.049 55.803 -0.577 0.000 0.809 303 Q CB 0.614 28.573 28.738 -1.299 0.000 1.462 303 Q HN -0.126 nan 8.270 nan 0.000 0.392 304 P HA 0.001 nan 4.420 nan 0.000 0.264 304 P C -0.747 176.551 177.300 -0.003 0.000 1.183 304 P CA 0.131 63.209 63.100 -0.037 0.000 0.763 304 P CB 0.273 32.025 31.700 0.086 0.000 0.807 305 I N 3.331 123.900 120.570 -0.001 0.000 2.371 305 I HA 0.112 4.282 4.170 -0.001 0.000 0.290 305 I C 1.501 177.639 176.117 0.035 0.000 1.028 305 I CA 0.270 61.577 61.300 0.013 0.000 1.345 305 I CB 0.384 38.385 38.000 0.002 0.000 1.407 305 I HN 0.416 nan 8.210 nan 0.000 0.501 306 T N 0.304 114.884 114.554 0.044 0.000 3.043 306 T HA 0.282 4.632 4.350 -0.001 0.000 0.272 306 T C 0.388 175.090 174.700 0.003 0.000 0.990 306 T CA 0.034 62.164 62.100 0.049 0.000 0.897 306 T CB 0.083 69.023 68.868 0.119 0.000 1.111 306 T HN 0.617 nan 8.240 nan 0.000 0.529 307 S N 0.254 115.946 115.700 -0.013 0.000 2.587 307 S HA 0.723 5.192 4.470 -0.001 0.000 0.269 307 S C -1.638 172.945 174.600 -0.027 0.000 1.154 307 S CA -1.045 57.136 58.200 -0.032 0.000 0.824 307 S CB 1.718 64.902 63.200 -0.026 0.000 1.118 307 S HN 0.451 nan 8.310 nan 0.000 0.462 308 I N 1.157 121.711 120.570 -0.028 0.000 2.647 308 I HA 0.704 4.874 4.170 -0.001 0.000 0.295 308 I C -1.643 174.413 176.117 -0.101 0.000 1.078 308 I CA -0.739 60.544 61.300 -0.028 0.000 1.048 308 I CB 1.913 39.913 38.000 0.000 0.000 1.239 308 I HN 1.031 nan 8.210 nan 0.000 0.421 309 K N 6.337 126.635 120.400 -0.170 0.000 2.469 309 K HA 0.619 4.939 4.320 -0.001 0.000 0.254 309 K C -2.093 174.289 176.600 -0.364 0.000 0.939 309 K CA -0.927 55.135 56.287 -0.375 0.000 0.812 309 K CB 2.509 34.876 32.500 -0.222 0.000 1.301 309 K HN 0.415 nan 8.250 nan 0.000 0.433 310 L N 1.301 122.132 121.223 -0.654 0.000 2.322 310 L HA 0.450 4.790 4.340 -0.001 0.000 0.281 310 L C -1.047 175.755 176.870 -0.113 0.000 1.014 310 L CA -0.055 54.587 54.840 -0.329 0.000 0.815 310 L CB 1.638 43.449 42.059 -0.413 0.000 1.247 310 L HN 0.816 nan 8.230 nan 0.000 0.421 311 E N 5.049 125.286 120.200 0.061 0.000 2.183 311 E HA 0.564 4.913 4.350 -0.001 0.000 0.271 311 E C -1.205 175.451 176.600 0.093 0.000 0.919 311 E CA -0.534 55.922 56.400 0.093 0.000 0.781 311 E CB 2.135 31.955 29.700 0.199 0.000 1.140 311 E HN 0.527 nan 8.360 nan 0.000 0.402 312 I N 2.914 123.534 120.570 0.083 0.000 2.466 312 I HA 0.287 4.457 4.170 -0.001 0.000 0.289 312 I C -0.836 175.310 176.117 0.049 0.000 1.026 312 I CA -1.000 60.334 61.300 0.056 0.000 1.078 312 I CB 1.948 39.992 38.000 0.073 0.000 1.249 312 I HN 0.188 nan 8.210 nan 0.000 0.429 313 V N 4.903 124.834 119.914 0.027 0.000 2.347 313 V HA 0.358 4.477 4.120 -0.001 0.000 0.280 313 V C 0.131 176.260 176.094 0.060 0.000 1.021 313 V CA -0.379 61.958 62.300 0.061 0.000 0.847 313 V CB 1.482 33.343 31.823 0.063 0.000 0.990 313 V HN 0.721 nan 8.190 nan 0.000 0.444 314 T N 4.265 118.904 114.554 0.142 0.000 2.795 314 T HA 0.684 5.034 4.350 -0.001 0.000 0.282 314 T C 0.029 174.896 174.700 0.277 0.000 0.980 314 T CA -0.446 61.781 62.100 0.212 0.000 1.012 314 T CB 1.379 70.482 68.868 0.392 0.000 0.936 314 T HN 0.866 nan 8.240 nan 0.000 0.457 315 S N 2.276 118.086 115.700 0.184 0.000 2.671 315 S HA 0.718 5.188 4.470 -0.001 0.000 0.277 315 S C -1.332 173.171 174.600 -0.162 0.000 1.165 315 S CA -1.191 57.093 58.200 0.141 0.000 0.822 315 S CB 2.086 65.438 63.200 0.253 0.000 1.150 315 S HN 0.557 nan 8.310 nan 0.000 0.479 316 K N 0.404 120.461 120.400 -0.573 0.000 2.426 316 K HA 0.518 4.838 4.320 -0.001 0.000 0.254 316 K C 0.548 176.948 176.600 -0.335 0.000 0.936 316 K CA -0.521 55.514 56.287 -0.419 0.000 0.801 316 K CB 1.666 33.850 32.500 -0.526 0.000 1.139 316 K HN 0.632 nan 8.250 nan 0.000 0.424 317 S N 1.595 117.203 115.700 -0.152 0.000 2.377 317 S HA -0.168 4.301 4.470 -0.001 0.000 0.224 317 S C 1.315 175.876 174.600 -0.065 0.000 1.042 317 S CA 1.669 59.820 58.200 -0.081 0.000 1.086 317 S CB -0.108 63.065 63.200 -0.044 0.000 0.995 317 S HN 0.828 nan 8.310 nan 0.000 0.428 318 G N 1.032 109.795 108.800 -0.062 0.000 4.125 318 G HA2 0.538 4.498 3.960 -0.001 0.000 0.301 318 G HA3 0.538 4.498 3.960 -0.001 0.000 0.301 318 G C 0.118 174.996 174.900 -0.037 0.000 1.273 318 G CA -0.077 45.005 45.100 -0.029 0.000 1.095 318 G HN 0.540 nan 8.290 nan 0.000 0.582 319 G N -0.404 108.333 108.800 -0.105 0.000 2.488 319 G HA2 0.586 4.546 3.960 -0.001 0.000 0.318 319 G HA3 0.586 4.546 3.960 -0.001 0.000 0.318 319 G C -0.663 174.318 174.900 0.136 0.000 1.188 319 G CA -0.530 44.514 45.100 -0.095 0.000 0.944 319 G HN 0.373 nan 8.290 nan 0.000 0.495 320 Q N -0.871 119.068 119.800 0.233 0.000 2.423 320 Q HA 0.619 4.958 4.340 -0.001 0.000 0.278 320 Q C -0.099 176.090 176.000 0.314 0.000 1.097 320 Q CA -0.739 55.225 55.803 0.267 0.000 0.809 320 Q CB 2.092 30.906 28.738 0.128 0.000 1.391 320 Q HN 0.852 nan 8.270 nan 0.000 0.428 321 A N 0.843 123.756 122.820 0.155 0.000 2.591 321 A HA 0.339 4.659 4.320 -0.001 0.000 0.244 321 A C 1.278 178.911 177.584 0.082 0.000 1.031 321 A CA 1.315 53.378 52.037 0.043 0.000 0.767 321 A CB -1.068 17.914 19.000 -0.029 0.000 0.942 321 A HN 1.291 nan 8.150 nan 0.000 0.514 322 G N 2.145 110.997 108.800 0.088 0.000 2.213 322 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.236 322 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.236 322 G C 0.021 174.979 174.900 0.097 0.000 0.991 322 G CA 0.338 45.480 45.100 0.070 0.000 0.629 322 G HN 0.908 nan 8.290 nan 0.000 0.517 323 D N 0.911 121.409 120.400 0.163 0.000 2.488 323 D HA 0.441 5.081 4.640 -0.001 0.000 0.238 323 D C 0.755 177.122 176.300 0.110 0.000 1.138 323 D CA 0.355 54.429 54.000 0.124 0.000 0.873 323 D CB 0.778 41.643 40.800 0.109 0.000 1.183 323 D HN 0.420 nan 8.370 nan 0.000 0.458 324 Q N 2.487 122.322 119.800 0.059 0.000 2.296 324 Q HA 0.297 4.636 4.340 -0.001 0.000 0.262 324 Q C -1.178 174.850 176.000 0.047 0.000 0.981 324 Q CA 0.380 56.204 55.803 0.034 0.000 0.905 324 Q CB 0.436 29.181 28.738 0.012 0.000 1.186 324 Q HN 0.401 nan 8.270 nan 0.000 0.399 325 M N 3.106 122.732 119.600 0.044 0.000 2.263 325 M HA 0.520 5.000 4.480 -0.001 0.000 0.295 325 M C -1.116 175.188 176.300 0.008 0.000 1.028 325 M CA -0.680 54.681 55.300 0.101 0.000 0.921 325 M CB 2.276 35.017 32.600 0.236 0.000 1.601 325 M HN 0.783 nan 8.290 nan 0.000 0.440 326 S N 2.085 117.814 115.700 0.048 0.000 2.541 326 S HA 0.883 5.353 4.470 -0.001 0.000 0.271 326 S C -1.646 173.040 174.600 0.143 0.000 1.133 326 S CA -0.879 57.279 58.200 -0.069 0.000 0.876 326 S CB 2.054 65.193 63.200 -0.102 0.000 1.105 326 S HN 0.951 nan 8.310 nan 0.000 0.470 327 W N -0.710 120.768 121.300 0.298 0.000 3.066 327 W HA 0.737 5.397 4.660 -0.001 0.000 0.330 327 W C -1.610 175.070 176.519 0.267 0.000 1.253 327 W CA -0.902 56.614 57.345 0.285 0.000 1.187 327 W CB 1.060 30.726 29.460 0.343 0.000 1.434 327 W HN 0.627 nan 8.180 nan 0.000 0.572 328 S N 0.616 116.735 115.700 0.698 0.000 2.503 328 S HA 0.832 5.301 4.470 -0.001 0.000 0.301 328 S C -0.602 174.252 174.600 0.425 0.000 1.087 328 S CA -0.381 58.117 58.200 0.496 0.000 1.042 328 S CB 1.687 65.059 63.200 0.287 0.000 1.043 328 S HN 0.697 nan 8.310 nan 0.000 0.489 329 A N 2.039 125.036 122.820 0.296 0.000 2.454 329 A HA 0.912 5.232 4.320 -0.001 0.000 0.302 329 A C -0.757 176.744 177.584 -0.138 0.000 1.079 329 A CA -0.624 51.282 52.037 -0.219 0.000 0.731 329 A CB 1.732 20.317 19.000 -0.692 0.000 1.299 329 A HN 0.625 nan 8.150 nan 0.000 0.413 330 S N -1.023 114.510 115.700 -0.278 0.000 2.536 330 S HA 0.900 5.369 4.470 -0.001 0.000 0.271 330 S C -0.321 174.177 174.600 -0.169 0.000 1.134 330 S CA 0.057 58.164 58.200 -0.156 0.000 0.897 330 S CB 2.021 65.147 63.200 -0.124 0.000 1.094 330 S HN 2.209 nan 8.310 nan 0.000 0.473 331 G N 1.022 109.756 108.800 -0.109 0.000 2.340 331 G HA2 0.471 4.430 3.960 -0.001 0.000 0.300 331 G HA3 0.471 4.430 3.960 -0.001 0.000 0.300 331 G C -1.722 173.124 174.900 -0.089 0.000 1.488 331 G CA -0.592 44.459 45.100 -0.081 0.000 0.878 331 G HN 0.662 nan 8.290 nan 0.000 0.618 332 S N -0.441 115.212 115.700 -0.077 0.000 2.536 332 S HA 0.783 5.253 4.470 -0.001 0.000 0.287 332 S C -0.221 174.301 174.600 -0.130 0.000 1.101 332 S CA -0.700 57.430 58.200 -0.117 0.000 0.950 332 S CB 1.398 64.546 63.200 -0.086 0.000 1.056 332 S HN 0.646 nan 8.310 nan 0.000 0.481 333 L N 1.657 122.759 121.223 -0.203 0.000 2.322 333 L HA 0.923 5.262 4.340 -0.001 0.000 0.269 333 L C -0.142 176.656 176.870 -0.120 0.000 1.012 333 L CA -1.088 53.617 54.840 -0.225 0.000 0.815 333 L CB 1.473 43.323 42.059 -0.348 0.000 1.295 333 L HN 0.705 nan 8.230 nan 0.000 0.438 334 A N 1.729 124.509 122.820 -0.066 0.000 2.319 334 A HA 0.693 5.013 4.320 -0.001 0.000 0.310 334 A C -0.839 176.748 177.584 0.005 0.000 1.152 334 A CA -0.461 51.565 52.037 -0.019 0.000 0.783 334 A CB 1.499 20.495 19.000 -0.005 0.000 1.184 334 A HN 0.383 nan 8.150 nan 0.000 0.474 335 V N 2.838 122.781 119.914 0.049 0.000 2.350 335 V HA 0.421 4.541 4.120 -0.001 0.000 0.276 335 V C 0.133 176.264 176.094 0.061 0.000 1.028 335 V CA -0.125 62.219 62.300 0.073 0.000 0.860 335 V CB 1.431 33.333 31.823 0.132 0.000 0.990 335 V HN 0.889 nan 8.190 nan 0.000 0.453 336 T N 6.734 121.267 114.554 -0.034 0.000 2.756 336 T HA 0.492 4.842 4.350 -0.001 0.000 0.290 336 T C -0.138 174.393 174.700 -0.281 0.000 0.985 336 T CA -0.276 61.740 62.100 -0.139 0.000 0.955 336 T CB 0.505 69.280 68.868 -0.155 0.000 0.930 336 T HN 0.295 nan 8.240 nan 0.000 0.451 337 I N 4.638 125.099 120.570 -0.182 0.000 2.291 337 I HA 0.168 4.338 4.170 -0.001 0.000 0.290 337 I C 0.710 176.713 176.117 -0.190 0.000 1.050 337 I CA -0.922 60.282 61.300 -0.161 0.000 1.245 337 I CB -0.162 37.837 38.000 -0.001 0.000 1.405 337 I HN 0.565 nan 8.210 nan 0.000 0.478 338 H N 5.387 124.477 119.070 0.032 0.000 3.107 338 H HA 0.070 4.626 4.556 -0.001 0.000 0.301 338 H C 1.496 176.832 175.328 0.013 0.000 0.981 338 H CA 0.994 57.054 56.048 0.019 0.000 1.443 338 H CB 0.357 30.127 29.762 0.013 0.000 1.479 338 H HN 0.944 nan 8.280 nan 0.000 0.564 339 G N 2.768 111.635 108.800 0.112 0.000 2.196 339 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.268 339 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.268 339 G C 1.615 176.556 174.900 0.069 0.000 0.975 339 G CA 0.815 45.957 45.100 0.070 0.000 0.648 339 G HN 0.868 nan 8.290 nan 0.000 0.538 340 G N 0.308 109.135 108.800 0.045 0.000 2.475 340 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.220 340 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.220 340 G C 1.323 176.246 174.900 0.037 0.000 1.125 340 G CA 1.408 46.530 45.100 0.037 0.000 0.755 340 G HN 0.536 nan 8.290 nan 0.000 0.565 341 N N -0.880 117.835 118.700 0.025 0.000 2.336 341 N HA 0.058 4.798 4.740 -0.001 0.000 0.189 341 N C -0.255 175.279 175.510 0.039 0.000 1.113 341 N CA -0.430 52.624 53.050 0.007 0.000 0.858 341 N CB -0.066 38.402 38.487 -0.031 0.000 0.970 341 N HN 0.442 nan 8.380 nan 0.000 0.471 342 Y N 2.675 122.952 120.300 -0.038 0.000 2.569 342 Y HA 0.154 4.704 4.550 -0.001 0.000 0.332 342 Y C -2.120 173.750 175.900 -0.049 0.000 1.120 342 Y CA -1.938 56.136 58.100 -0.044 0.000 1.416 342 Y CB 0.524 38.949 38.460 -0.058 0.000 1.210 342 Y HN -0.010 nan 8.280 nan 0.000 0.528 343 P HA 0.070 nan 4.420 nan 0.000 0.260 343 P C 0.447 177.687 177.300 -0.101 0.000 1.185 343 P CA 2.075 65.032 63.100 -0.238 0.000 0.763 343 P CB 0.400 31.904 31.700 -0.326 0.000 0.776 344 G N 3.074 111.892 108.800 0.030 0.000 2.232 344 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.226 344 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.226 344 G C 1.125 176.132 174.900 0.178 0.000 0.996 344 G CA 0.307 45.480 45.100 0.121 0.000 0.626 344 G HN 0.622 nan 8.290 nan 0.000 0.509 345 A N -0.345 122.564 122.820 0.148 0.000 1.930 345 A HA 0.602 4.922 4.320 -0.001 0.000 0.215 345 A C 2.234 179.941 177.584 0.205 0.000 1.176 345 A CA 1.902 53.991 52.037 0.086 0.000 0.632 345 A CB -0.163 18.864 19.000 0.045 0.000 0.819 345 A HN 0.811 nan 8.150 nan 0.000 0.445 346 L N -2.061 119.268 121.223 0.178 0.000 2.806 346 L HA 0.212 4.552 4.340 -0.001 0.000 0.242 346 L C 0.658 177.669 176.870 0.234 0.000 1.068 346 L CA -0.096 54.857 54.840 0.189 0.000 0.923 346 L CB 0.325 42.469 42.059 0.141 0.000 1.364 346 L HN 0.418 nan 8.230 nan 0.000 0.511 347 R N 0.546 121.144 120.500 0.163 0.000 2.803 347 R HA 0.589 4.929 4.340 -0.001 0.000 0.276 347 R C -2.923 173.434 176.300 0.096 0.000 0.978 347 R CA -1.783 54.388 56.100 0.118 0.000 0.939 347 R CB 1.346 31.661 30.300 0.026 0.000 1.179 347 R HN -0.274 nan 8.270 nan 0.000 0.472 348 P HA 0.279 nan 4.420 nan 0.000 0.297 348 P C -0.862 176.529 177.300 0.151 0.000 1.307 348 P CA -0.623 62.511 63.100 0.057 0.000 0.773 348 P CB 1.043 32.737 31.700 -0.009 0.000 1.265 349 V N -0.733 119.272 119.914 0.152 0.000 2.760 349 V HA 0.378 4.497 4.120 -0.001 0.000 0.309 349 V C -0.220 175.927 176.094 0.088 0.000 1.077 349 V CA -0.296 62.078 62.300 0.123 0.000 0.910 349 V CB 2.173 34.082 31.823 0.144 0.000 1.008 349 V HN 0.530 nan 8.190 nan 0.000 0.424 350 T N 6.032 120.610 114.554 0.040 0.000 2.786 350 T HA 0.634 4.983 4.350 -0.001 0.000 0.283 350 T C -0.577 174.152 174.700 0.048 0.000 0.992 350 T CA -0.262 61.877 62.100 0.065 0.000 0.954 350 T CB 0.711 69.629 68.868 0.083 0.000 0.934 350 T HN 0.339 nan 8.240 nan 0.000 0.440 351 L N 3.484 124.711 121.223 0.006 0.000 2.307 351 L HA 0.681 5.021 4.340 -0.001 0.000 0.284 351 L C -0.577 176.302 176.870 0.016 0.000 1.023 351 L CA -1.109 53.703 54.840 -0.048 0.000 0.810 351 L CB 1.771 43.761 42.059 -0.114 0.000 1.231 351 L HN 0.311 nan 8.230 nan 0.000 0.423 352 V N 2.810 122.747 119.914 0.039 0.000 2.350 352 V HA 0.592 4.712 4.120 -0.001 0.000 0.285 352 V C 0.165 176.318 176.094 0.099 0.000 1.014 352 V CA -0.455 61.908 62.300 0.105 0.000 0.831 352 V CB 1.440 33.394 31.823 0.218 0.000 1.000 352 V HN 0.850 nan 8.190 nan 0.000 0.433 353 A N 5.473 128.346 122.820 0.088 0.000 2.324 353 A HA 0.941 5.260 4.320 -0.001 0.000 0.330 353 A C -1.002 176.777 177.584 0.323 0.000 1.165 353 A CA -0.486 51.623 52.037 0.121 0.000 0.813 353 A CB 1.015 20.086 19.000 0.118 0.000 1.197 353 A HN 1.011 nan 8.150 nan 0.000 0.484 354 Y N -0.228 120.274 120.300 0.337 0.000 2.499 354 Y HA 0.769 5.319 4.550 -0.001 0.000 0.347 354 Y C -0.418 175.545 175.900 0.103 0.000 0.987 354 Y CA -1.152 57.111 58.100 0.271 0.000 1.044 354 Y CB 1.258 39.817 38.460 0.165 0.000 1.245 354 Y HN 0.857 nan 8.280 nan 0.000 0.461 355 E N 1.308 121.548 120.200 0.067 0.000 2.413 355 E HA 0.618 4.968 4.350 -0.001 0.000 0.277 355 E C -0.609 175.955 176.600 -0.060 0.000 0.958 355 E CA -1.330 54.990 56.400 -0.133 0.000 0.779 355 E CB 1.603 30.966 29.700 -0.562 0.000 1.278 355 E HN 0.559 nan 8.360 nan 0.000 0.456 356 R N -0.882 119.596 120.500 -0.037 0.000 3.878 356 R HA -0.096 4.243 4.340 -0.001 0.000 0.330 356 R C -0.610 175.703 176.300 0.021 0.000 1.186 356 R CA 0.758 56.846 56.100 -0.021 0.000 0.885 356 R CB -2.918 27.353 30.300 -0.048 0.000 1.377 356 R HN 0.467 nan 8.270 nan 0.000 0.523 357 V N 1.227 121.181 119.914 0.067 0.000 2.546 357 V HA 0.529 4.649 4.120 -0.001 0.000 0.284 357 V C 1.393 177.502 176.094 0.026 0.000 1.050 357 V CA -0.291 62.031 62.300 0.037 0.000 0.981 357 V CB 1.680 33.506 31.823 0.005 0.000 0.990 357 V HN 0.383 nan 8.190 nan 0.000 0.474 358 A N 3.895 126.718 122.820 0.006 0.000 2.567 358 A HA 0.269 4.589 4.320 -0.001 0.000 0.240 358 A C 0.812 178.401 177.584 0.009 0.000 1.053 358 A CA 0.135 52.175 52.037 0.006 0.000 0.755 358 A CB -0.406 18.593 19.000 -0.001 0.000 0.978 358 A HN 0.873 nan 8.150 nan 0.000 0.507 359 T N 1.976 116.540 114.554 0.017 0.000 2.934 359 T HA 0.397 4.747 4.350 -0.001 0.000 0.306 359 T C 1.590 176.298 174.700 0.013 0.000 1.042 359 T CA 1.505 63.618 62.100 0.023 0.000 1.145 359 T CB 0.481 69.361 68.868 0.020 0.000 0.982 359 T HN 2.069 nan 8.240 nan 0.000 0.544 360 G N 2.757 111.567 108.800 0.016 0.000 2.179 360 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.260 360 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.260 360 G C 0.428 175.324 174.900 -0.006 0.000 0.977 360 G CA 0.160 45.264 45.100 0.007 0.000 0.641 360 G HN 0.822 nan 8.290 nan 0.000 0.533 361 S N -0.962 114.727 115.700 -0.017 0.000 2.608 361 S HA 0.547 5.017 4.470 -0.001 0.000 0.261 361 S C 0.452 175.021 174.600 -0.052 0.000 1.314 361 S CA -0.089 58.089 58.200 -0.037 0.000 0.992 361 S CB 2.113 65.279 63.200 -0.056 0.000 0.935 361 S HN 0.753 nan 8.310 nan 0.000 0.564 362 V N 1.950 121.829 119.914 -0.058 0.000 2.370 362 V HA 0.326 4.446 4.120 -0.001 0.000 0.283 362 V C -0.354 175.680 176.094 -0.101 0.000 1.023 362 V CA -0.602 61.659 62.300 -0.065 0.000 0.857 362 V CB 1.392 33.191 31.823 -0.040 0.000 0.985 362 V HN 0.625 nan 8.190 nan 0.000 0.443 363 V N 4.590 124.415 119.914 -0.149 0.000 2.350 363 V HA 0.339 4.458 4.120 -0.001 0.000 0.276 363 V C 0.433 176.468 176.094 -0.099 0.000 1.028 363 V CA -0.139 62.054 62.300 -0.178 0.000 0.860 363 V CB 1.812 33.434 31.823 -0.334 0.000 0.990 363 V HN 0.959 nan 8.190 nan 0.000 0.453 364 T N 5.227 119.754 114.554 -0.045 0.000 2.767 364 T HA 0.527 4.877 4.350 -0.001 0.000 0.288 364 T C -0.203 174.523 174.700 0.043 0.000 0.963 364 T CA -0.264 61.838 62.100 0.003 0.000 1.019 364 T CB 1.448 70.318 68.868 0.003 0.000 0.923 364 T HN 0.324 nan 8.240 nan 0.000 0.468 365 V N 2.585 122.555 119.914 0.094 0.000 2.459 365 V HA 0.830 4.950 4.120 -0.001 0.000 0.295 365 V C -0.124 176.055 176.094 0.142 0.000 1.029 365 V CA -0.780 61.613 62.300 0.155 0.000 0.874 365 V CB 1.445 33.413 31.823 0.242 0.000 0.985 365 V HN 1.078 nan 8.190 nan 0.000 0.438 366 A N 3.452 126.333 122.820 0.102 0.000 2.429 366 A HA 0.945 5.264 4.320 -0.001 0.000 0.289 366 A C -0.196 177.409 177.584 0.036 0.000 1.043 366 A CA 0.126 52.203 52.037 0.066 0.000 0.722 366 A CB 1.693 20.715 19.000 0.035 0.000 1.243 366 A HN 1.241 nan 8.150 nan 0.000 0.415 367 G N -0.292 108.534 108.800 0.044 0.000 2.687 367 G HA2 0.670 4.630 3.960 -0.001 0.000 0.291 367 G HA3 0.670 4.630 3.960 -0.001 0.000 0.291 367 G C -1.755 173.155 174.900 0.017 0.000 1.420 367 G CA -0.491 44.610 45.100 0.002 0.000 0.796 367 G HN 1.210 nan 8.290 nan 0.000 0.485 368 V N -0.102 119.803 119.914 -0.015 0.000 2.789 368 V HA 0.736 4.856 4.120 -0.001 0.000 0.311 368 V C -0.343 175.722 176.094 -0.048 0.000 1.073 368 V CA -0.732 61.564 62.300 -0.007 0.000 0.921 368 V CB 2.010 33.821 31.823 -0.021 0.000 1.009 368 V HN 0.754 nan 8.190 nan 0.000 0.426 369 S N 3.571 119.243 115.700 -0.047 0.000 2.502 369 S HA 0.577 5.047 4.470 -0.001 0.000 0.304 369 S C -0.726 173.609 174.600 -0.441 0.000 1.097 369 S CA -0.783 57.270 58.200 -0.244 0.000 1.045 369 S CB 1.172 64.317 63.200 -0.092 0.000 1.019 369 S HN 0.758 nan 8.310 nan 0.000 0.481 370 N N 1.895 120.226 118.700 -0.614 0.000 2.362 370 N HA 0.658 5.397 4.740 -0.001 0.000 0.298 370 N C -1.400 173.698 175.510 -0.687 0.000 1.048 370 N CA -0.220 52.567 53.050 -0.437 0.000 0.858 370 N CB 1.357 39.736 38.487 -0.180 0.000 1.218 370 N HN 0.390 nan 8.380 nan 0.000 0.488 371 F N -0.250 119.717 119.950 0.028 0.000 2.613 371 F HA 0.376 4.903 4.527 -0.000 0.000 0.314 371 F C 0.371 176.185 175.800 0.024 0.000 1.075 371 F CA -0.888 57.115 58.000 0.005 0.000 0.945 371 F CB 1.732 40.706 39.000 -0.042 0.000 1.310 371 F HN 0.143 nan 8.300 nan 0.000 0.467 372 E N 2.100 122.423 120.200 0.204 0.000 2.175 372 E HA 0.693 5.043 4.350 -0.001 0.000 0.278 372 E C -1.259 175.490 176.600 0.249 0.000 0.969 372 E CA -0.522 55.993 56.400 0.192 0.000 0.796 372 E CB 1.935 31.543 29.700 -0.154 0.000 1.104 372 E HN 0.416 nan 8.360 nan 0.000 0.395 373 L N 3.171 124.569 121.223 0.292 0.000 2.376 373 L HA 0.597 4.937 4.340 -0.001 0.000 0.258 373 L C -0.701 176.347 176.870 0.296 0.000 1.013 373 L CA -0.912 54.042 54.840 0.190 0.000 0.822 373 L CB 1.961 43.828 42.059 -0.321 0.000 1.388 373 L HN 0.432 nan 8.230 nan 0.000 0.413 374 I N 3.130 123.897 120.570 0.328 0.000 2.418 374 I HA 0.346 4.515 4.170 -0.001 0.000 0.287 374 I C -2.216 174.135 176.117 0.391 0.000 1.008 374 I CA -1.892 59.573 61.300 0.275 0.000 1.104 374 I CB 2.283 40.385 38.000 0.171 0.000 1.264 374 I HN 0.264 nan 8.210 nan 0.000 0.438 375 P HA 0.052 nan 4.420 nan 0.000 0.272 375 P C -1.024 176.308 177.300 0.054 0.000 1.240 375 P CA -0.321 62.874 63.100 0.159 0.000 0.791 375 P CB 0.467 32.190 31.700 0.039 0.000 0.978 376 N N 1.378 120.038 118.700 -0.068 0.000 2.327 376 N HA 0.122 4.861 4.740 -0.001 0.000 0.257 376 N C -2.014 173.475 175.510 -0.035 0.000 1.281 376 N CA -1.767 51.259 53.050 -0.039 0.000 0.942 376 N CB -1.582 36.859 38.487 -0.077 0.000 1.199 376 N HN 0.145 nan 8.380 nan 0.000 0.532 377 P HA -0.142 nan 4.420 nan 0.000 0.216 377 P C 0.991 178.273 177.300 -0.031 0.000 1.153 377 P CA 1.523 64.612 63.100 -0.018 0.000 0.858 377 P CB 0.183 31.875 31.700 -0.013 0.000 0.789 378 E N -0.789 119.384 120.200 -0.044 0.000 2.046 378 E HA -0.109 4.241 4.350 -0.001 0.000 0.190 378 E C 1.823 178.389 176.600 -0.057 0.000 0.982 378 E CA 0.880 57.252 56.400 -0.047 0.000 0.800 378 E CB -1.101 28.569 29.700 -0.050 0.000 0.756 378 E HN 0.028 nan 8.360 nan 0.000 0.449 379 L N -0.091 121.078 121.223 -0.089 0.000 2.201 379 L HA -0.017 4.322 4.340 -0.001 0.000 0.212 379 L C 2.060 178.895 176.870 -0.058 0.000 1.105 379 L CA 1.331 56.110 54.840 -0.102 0.000 0.775 379 L CB -0.460 41.474 42.059 -0.208 0.000 0.913 379 L HN 0.176 nan 8.230 nan 0.000 0.440 380 A N -0.717 122.078 122.820 -0.041 0.000 2.024 380 A HA -0.237 4.083 4.320 -0.001 0.000 0.220 380 A C 2.245 179.821 177.584 -0.013 0.000 1.164 380 A CA 1.575 53.603 52.037 -0.015 0.000 0.643 380 A CB -0.413 18.583 19.000 -0.007 0.000 0.806 380 A HN 0.415 nan 8.150 nan 0.000 0.451 381 K N -0.582 119.807 120.400 -0.019 0.000 2.283 381 K HA -0.038 4.281 4.320 -0.001 0.000 0.202 381 K C 0.601 177.194 176.600 -0.011 0.000 1.048 381 K CA 1.129 57.407 56.287 -0.014 0.000 0.948 381 K CB -0.002 32.488 32.500 -0.016 0.000 0.742 381 K HN 0.401 nan 8.250 nan 0.000 0.458 382 N N -0.229 118.464 118.700 -0.012 0.000 2.143 382 N HA 0.068 4.808 4.740 -0.001 0.000 0.222 382 N C -1.073 174.439 175.510 0.004 0.000 1.264 382 N CA -0.001 53.045 53.050 -0.005 0.000 0.897 382 N CB 0.953 39.435 38.487 -0.008 0.000 1.092 382 N HN -0.039 nan 8.380 nan 0.000 0.516 383 L N 1.748 122.975 121.223 0.007 0.000 2.318 383 L HA 0.381 4.720 4.340 -0.001 0.000 0.277 383 L C -0.166 176.718 176.870 0.022 0.000 1.008 383 L CA -0.609 54.248 54.840 0.028 0.000 0.846 383 L CB 1.614 43.704 42.059 0.052 0.000 1.220 383 L HN -0.262 nan 8.230 nan 0.000 0.423 384 V N 3.202 123.125 119.914 0.015 0.000 2.655 384 V HA 0.311 4.431 4.120 -0.001 0.000 0.300 384 V C 0.600 176.685 176.094 -0.015 0.000 1.044 384 V CA 0.037 62.335 62.300 -0.003 0.000 1.095 384 V CB 1.284 33.105 31.823 -0.003 0.000 0.952 384 V HN 0.909 nan 8.190 nan 0.000 0.485 385 T N 2.931 117.458 114.554 -0.046 0.000 2.885 385 T HA 0.800 5.150 4.350 -0.001 0.000 0.285 385 T C -0.755 173.853 174.700 -0.153 0.000 1.019 385 T CA -0.914 61.131 62.100 -0.091 0.000 1.010 385 T CB 2.304 71.122 68.868 -0.082 0.000 1.022 385 T HN 0.689 nan 8.240 nan 0.000 0.466 386 E N 0.368 120.431 120.200 -0.229 0.000 2.456 386 E HA 0.303 4.652 4.350 -0.001 0.000 0.276 386 E C -0.482 175.944 176.600 -0.290 0.000 0.981 386 E CA -0.984 55.283 56.400 -0.223 0.000 0.814 386 E CB 1.286 30.928 29.700 -0.097 0.000 1.382 386 E HN 0.636 nan 8.360 nan 0.000 0.459 387 Y N 0.761 121.044 120.300 -0.028 0.000 2.457 387 Y HA 0.164 4.713 4.550 -0.000 0.000 0.292 387 Y C 1.163 177.114 175.900 0.086 0.000 1.125 387 Y CA 1.259 59.390 58.100 0.051 0.000 1.254 387 Y CB 0.572 39.059 38.460 0.045 0.000 1.012 387 Y HN 0.768 nan 8.280 nan 0.000 0.555 388 G N 1.072 109.962 108.800 0.151 0.000 2.895 388 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.686 388 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.686 388 G C -0.752 174.263 174.900 0.192 0.000 1.108 388 G CA -1.016 44.177 45.100 0.155 0.000 0.761 388 G HN 0.217 nan 8.290 nan 0.000 0.611 389 R N 0.112 120.704 120.500 0.153 0.000 2.560 389 R HA -0.015 4.325 4.340 -0.001 0.000 0.296 389 R C 0.508 176.936 176.300 0.214 0.000 0.873 389 R CA 0.259 56.452 56.100 0.155 0.000 1.140 389 R CB 0.057 30.422 30.300 0.108 0.000 0.875 389 R HN 0.496 nan 8.270 nan 0.000 0.419 390 F N 3.499 123.474 119.950 0.043 0.000 2.467 390 F HA 0.091 4.618 4.527 -0.001 0.000 0.362 390 F C 0.072 175.888 175.800 0.026 0.000 1.090 390 F CA -0.846 57.170 58.000 0.028 0.000 1.202 390 F CB 0.699 39.707 39.000 0.013 0.000 1.113 390 F HN 0.392 nan 8.300 nan 0.000 0.541 391 D N 8.665 128.729 120.400 -0.561 0.000 2.363 391 D HA 0.279 4.919 4.640 -0.001 0.000 0.258 391 D C -1.885 174.007 176.300 -0.679 0.000 1.259 391 D CA -1.790 51.903 54.000 -0.512 0.000 0.921 391 D CB 1.498 42.199 40.800 -0.165 0.000 1.201 391 D HN 0.210 nan 8.370 nan 0.000 0.524 392 P HA -0.130 nan 4.420 nan 0.000 0.219 392 P C 1.118 178.295 177.300 -0.205 0.000 1.158 392 P CA 1.402 64.143 63.100 -0.598 0.000 0.895 392 P CB 0.343 31.805 31.700 -0.396 0.000 0.792 393 G N -2.172 106.535 108.800 -0.154 0.000 3.233 393 G HA2 0.287 4.246 3.960 -0.001 0.000 0.234 393 G HA3 0.287 4.246 3.960 -0.001 0.000 0.234 393 G C 1.357 176.274 174.900 0.028 0.000 1.137 393 G CA 0.496 45.571 45.100 -0.041 0.000 0.763 393 G HN 0.344 nan 8.290 nan 0.000 0.549 394 A N 0.860 123.679 122.820 -0.001 0.000 1.883 394 A HA -0.068 4.252 4.320 -0.001 0.000 0.217 394 A C 2.191 179.849 177.584 0.123 0.000 1.186 394 A CA 2.083 54.176 52.037 0.093 0.000 0.624 394 A CB -0.260 18.773 19.000 0.055 0.000 0.822 394 A HN 0.387 nan 8.150 nan 0.000 0.444 395 M N 0.526 120.147 119.600 0.036 0.000 2.117 395 M HA -0.090 4.390 4.480 -0.001 0.000 0.262 395 M C 1.524 177.879 176.300 0.090 0.000 1.065 395 M CA 1.640 56.954 55.300 0.023 0.000 1.114 395 M CB -0.880 31.711 32.600 -0.016 0.000 1.361 395 M HN 0.419 nan 8.290 nan 0.000 0.408 396 N N -1.037 117.723 118.700 0.101 0.000 2.166 396 N HA -0.195 4.545 4.740 -0.001 0.000 0.186 396 N C 1.744 177.353 175.510 0.165 0.000 1.019 396 N CA 1.377 54.496 53.050 0.115 0.000 0.856 396 N CB -0.581 37.966 38.487 0.101 0.000 0.993 396 N HN 0.455 nan 8.380 nan 0.000 0.426 397 Y N 2.145 122.481 120.300 0.060 0.000 2.242 397 Y HA -0.115 4.435 4.550 -0.000 0.000 0.291 397 Y C 2.340 178.312 175.900 0.120 0.000 1.137 397 Y CA 1.225 59.373 58.100 0.079 0.000 1.181 397 Y CB -0.554 37.950 38.460 0.073 0.000 0.989 397 Y HN -0.003 nan 8.280 nan 0.000 0.527 398 T N 0.032 114.669 114.554 0.138 0.000 2.777 398 T HA -0.163 4.186 4.350 -0.001 0.000 0.266 398 T C 1.845 176.601 174.700 0.092 0.000 1.040 398 T CA 1.780 63.964 62.100 0.140 0.000 1.141 398 T CB -0.125 68.901 68.868 0.264 0.000 0.868 398 T HN 0.250 nan 8.240 nan 0.000 0.444 399 K N 0.531 120.988 120.400 0.094 0.000 2.057 399 K HA -0.015 4.305 4.320 -0.001 0.000 0.207 399 K C 2.198 178.813 176.600 0.025 0.000 1.049 399 K CA 0.887 57.217 56.287 0.073 0.000 0.931 399 K CB -0.369 32.175 32.500 0.072 0.000 0.714 399 K HN 0.130 nan 8.250 nan 0.000 0.440 400 L N 1.368 122.589 121.223 -0.003 0.000 2.017 400 L HA -0.150 4.190 4.340 -0.001 0.000 0.208 400 L C 1.944 178.771 176.870 -0.072 0.000 1.073 400 L CA 1.551 56.373 54.840 -0.031 0.000 0.745 400 L CB -0.312 41.730 42.059 -0.028 0.000 0.894 400 L HN 0.067 nan 8.230 nan 0.000 0.432 401 I N -0.758 119.721 120.570 -0.152 0.000 2.179 401 I HA -0.324 3.846 4.170 -0.001 0.000 0.242 401 I C 2.336 178.445 176.117 -0.013 0.000 1.088 401 I CA 1.506 62.740 61.300 -0.110 0.000 1.357 401 I CB -0.337 37.573 38.000 -0.150 0.000 1.051 401 I HN 0.235 nan 8.210 nan 0.000 0.409 402 L N -0.192 121.037 121.223 0.011 0.000 2.141 402 L HA -0.182 4.158 4.340 -0.001 0.000 0.209 402 L C 2.632 179.505 176.870 0.004 0.000 1.094 402 L CA 1.503 56.356 54.840 0.022 0.000 0.763 402 L CB -0.751 41.333 42.059 0.042 0.000 0.908 402 L HN 0.392 nan 8.230 nan 0.000 0.437 403 S N -1.051 114.651 115.700 0.002 0.000 2.428 403 S HA -0.099 4.370 4.470 -0.001 0.000 0.230 403 S C 1.485 176.083 174.600 -0.004 0.000 1.014 403 S CA 0.648 58.847 58.200 -0.002 0.000 0.957 403 S CB -0.113 63.088 63.200 0.003 0.000 0.784 403 S HN 0.363 nan 8.310 nan 0.000 0.499 404 E N 0.975 121.174 120.200 -0.001 0.000 2.419 404 E HA 0.198 4.548 4.350 -0.001 0.000 0.190 404 E C 1.547 178.153 176.600 0.009 0.000 1.040 404 E CA -0.260 56.143 56.400 0.005 0.000 0.900 404 E CB -0.150 29.556 29.700 0.009 0.000 1.054 404 E HN 0.501 nan 8.360 nan 0.000 0.462 405 R N 1.187 121.687 120.500 -0.000 0.000 2.113 405 R HA -0.227 4.112 4.340 -0.001 0.000 0.244 405 R C 1.228 177.510 176.300 -0.030 0.000 1.142 405 R CA 1.631 57.725 56.100 -0.010 0.000 0.953 405 R CB 0.273 30.556 30.300 -0.029 0.000 0.860 405 R HN 0.033 nan 8.270 nan 0.000 0.438 406 E N -0.188 119.992 120.200 -0.034 0.000 2.047 406 E HA -0.088 4.262 4.350 -0.001 0.000 0.191 406 E C 2.181 178.765 176.600 -0.027 0.000 0.987 406 E CA 1.240 57.613 56.400 -0.045 0.000 0.799 406 E CB -0.054 29.622 29.700 -0.041 0.000 0.752 406 E HN 0.292 nan 8.360 nan 0.000 0.449 407 R N -0.138 120.358 120.500 -0.006 0.000 2.096 407 R HA -0.062 4.278 4.340 -0.001 0.000 0.235 407 R C 2.139 178.457 176.300 0.030 0.000 1.127 407 R CA 1.146 57.251 56.100 0.009 0.000 0.968 407 R CB -0.317 29.993 30.300 0.016 0.000 0.861 407 R HN 0.206 nan 8.270 nan 0.000 0.440 408 L N -0.697 120.555 121.223 0.049 0.000 2.492 408 L HA 0.185 4.525 4.340 -0.001 0.000 0.223 408 L C 1.108 178.044 176.870 0.111 0.000 1.132 408 L CA 0.389 55.296 54.840 0.112 0.000 0.850 408 L CB -0.017 42.137 42.059 0.160 0.000 0.966 408 L HN 0.412 nan 8.230 nan 0.000 0.454 409 G N 1.466 110.267 108.800 0.002 0.000 2.198 409 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.257 409 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.257 409 G C 0.055 174.802 174.900 -0.256 0.000 1.042 409 G CA -0.184 44.851 45.100 -0.108 0.000 0.791 409 G HN 0.305 nan 8.290 nan 0.000 0.502 410 I N 0.719 121.187 120.570 -0.170 0.000 2.347 410 I HA 0.260 4.429 4.170 -0.001 0.000 0.294 410 I C 0.829 176.707 176.117 -0.397 0.000 1.090 410 I CA -0.015 61.159 61.300 -0.209 0.000 1.314 410 I CB 0.552 38.566 38.000 0.024 0.000 1.423 410 I HN 0.104 nan 8.210 nan 0.000 0.503 411 K N 3.214 123.078 120.400 -0.893 0.000 2.132 411 K HA 0.444 4.764 4.320 -0.001 0.000 0.241 411 K C 1.035 177.353 176.600 -0.469 0.000 1.000 411 K CA -0.597 55.169 56.287 -0.868 0.000 0.911 411 K CB 1.047 32.684 32.500 -1.438 0.000 1.093 411 K HN 0.567 nan 8.250 nan 0.000 0.460 412 T N -3.333 111.034 114.554 -0.312 0.000 3.015 412 T HA 0.100 4.450 4.350 -0.001 0.000 0.250 412 T C 0.489 175.143 174.700 -0.077 0.000 1.057 412 T CA -0.210 61.821 62.100 -0.114 0.000 1.066 412 T CB -0.077 68.737 68.868 -0.090 0.000 0.959 412 T HN 0.349 nan 8.240 nan 0.000 0.488 413 V N -1.505 118.300 119.914 -0.181 0.000 2.577 413 V HA 0.839 4.959 4.120 -0.001 0.000 0.303 413 V C -1.901 174.132 176.094 -0.103 0.000 1.042 413 V CA -1.637 60.628 62.300 -0.059 0.000 0.872 413 V CB 0.952 32.747 31.823 -0.046 0.000 0.998 413 V HN 0.356 nan 8.190 nan 0.000 0.423 414 W N 3.687 124.922 121.300 -0.109 0.000 2.950 414 W HA 0.763 5.422 4.660 -0.001 0.000 0.340 414 W C -2.734 173.774 176.519 -0.018 0.000 1.139 414 W CA -2.442 54.867 57.345 -0.060 0.000 1.188 414 W CB 1.647 31.082 29.460 -0.043 0.000 1.426 414 W HN 0.341 nan 8.180 nan 0.000 0.531 415 P HA 0.096 nan 4.420 nan 0.000 0.282 415 P C 0.693 178.124 177.300 0.218 0.000 1.262 415 P CA 0.172 63.384 63.100 0.186 0.000 0.773 415 P CB 1.291 33.080 31.700 0.149 0.000 0.879 416 T N 3.149 117.796 114.554 0.154 0.000 2.680 416 T HA -0.226 4.123 4.350 -0.001 0.000 0.268 416 T C 1.779 176.568 174.700 0.148 0.000 1.033 416 T CA 1.624 63.808 62.100 0.139 0.000 1.152 416 T CB -0.327 68.594 68.868 0.088 0.000 0.859 416 T HN 0.482 nan 8.240 nan 0.000 0.452 417 R N 0.607 121.181 120.500 0.124 0.000 2.091 417 R HA -0.085 4.255 4.340 -0.001 0.000 0.238 417 R C 2.610 178.985 176.300 0.125 0.000 1.136 417 R CA 1.482 57.644 56.100 0.104 0.000 0.959 417 R CB -0.168 30.184 30.300 0.088 0.000 0.856 417 R HN 0.537 nan 8.270 nan 0.000 0.437 418 E N -0.773 119.537 120.200 0.184 0.000 2.106 418 E HA -0.212 4.137 4.350 -0.001 0.000 0.192 418 E C 1.596 178.345 176.600 0.248 0.000 0.984 418 E CA 0.916 57.463 56.400 0.245 0.000 0.806 418 E CB -0.055 29.848 29.700 0.338 0.000 0.750 418 E HN 0.327 nan 8.360 nan 0.000 0.458 419 Y N 1.561 121.858 120.300 -0.005 0.000 2.200 419 Y HA -0.202 4.348 4.550 -0.000 0.000 0.290 419 Y C 2.342 178.119 175.900 -0.205 0.000 1.137 419 Y CA 1.710 59.516 58.100 -0.490 0.000 1.163 419 Y CB -0.463 37.583 38.460 -0.690 0.000 0.988 419 Y HN -0.093 nan 8.280 nan 0.000 0.518 420 T N 0.338 114.806 114.554 -0.144 0.000 2.708 420 T HA -0.191 4.159 4.350 -0.001 0.000 0.266 420 T C 1.516 176.159 174.700 -0.096 0.000 1.037 420 T CA 1.654 63.661 62.100 -0.155 0.000 1.146 420 T CB -0.388 68.467 68.868 -0.020 0.000 0.865 420 T HN 0.392 nan 8.240 nan 0.000 0.435 421 D N 0.372 120.782 120.400 0.016 0.000 2.123 421 D HA -0.080 4.559 4.640 -0.001 0.000 0.196 421 D C 1.781 178.165 176.300 0.141 0.000 0.992 421 D CA 0.879 54.941 54.000 0.103 0.000 0.833 421 D CB -0.362 40.509 40.800 0.118 0.000 0.954 421 D HN 0.370 nan 8.370 nan 0.000 0.455 422 F N 2.057 121.954 119.950 -0.089 0.000 2.161 422 F HA -0.159 4.368 4.527 -0.000 0.000 0.300 422 F C 2.333 178.068 175.800 -0.109 0.000 1.089 422 F CA 1.364 59.321 58.000 -0.072 0.000 1.282 422 F CB 0.007 38.875 39.000 -0.221 0.000 1.010 422 F HN -0.199 nan 8.300 nan 0.000 0.485 423 R N 0.367 120.673 120.500 -0.324 0.000 2.081 423 R HA -0.139 4.201 4.340 -0.001 0.000 0.235 423 R C 2.182 178.370 176.300 -0.186 0.000 1.131 423 R CA 1.790 57.658 56.100 -0.387 0.000 0.960 423 R CB -0.523 29.526 30.300 -0.418 0.000 0.856 423 R HN 0.457 nan 8.270 nan 0.000 0.436 424 E N -0.071 120.073 120.200 -0.093 0.000 2.031 424 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 424 E C 1.726 178.286 176.600 -0.068 0.000 0.994 424 E CA 1.211 57.578 56.400 -0.054 0.000 0.800 424 E CB -0.229 29.464 29.700 -0.013 0.000 0.752 424 E HN 0.350 nan 8.360 nan 0.000 0.447 425 Y N -0.590 119.642 120.300 -0.113 0.000 2.556 425 Y HA -0.206 4.344 4.550 -0.001 0.000 0.290 425 Y C 1.813 177.626 175.900 -0.145 0.000 1.149 425 Y CA 1.059 59.096 58.100 -0.105 0.000 1.329 425 Y CB -0.108 38.313 38.460 -0.065 0.000 0.975 425 Y HN 0.101 nan 8.280 nan 0.000 0.561 426 F N -0.986 118.806 119.950 -0.262 0.000 2.274 426 F HA 0.126 4.653 4.527 -0.000 0.000 0.288 426 F C 1.314 177.003 175.800 -0.186 0.000 1.069 426 F CA 0.231 58.056 58.000 -0.292 0.000 1.343 426 F CB -0.144 38.550 39.000 -0.510 0.000 1.089 426 F HN -0.255 nan 8.300 nan 0.000 0.517 427 M N 0.000 119.667 119.600 0.112 0.000 2.572 427 M HA 0.000 4.480 4.480 -0.001 0.000 0.227 427 M CA 0.000 55.323 55.300 0.039 0.000 0.988 427 M CB 0.000 32.612 32.600 0.020 0.000 1.302 427 M HN 0.000 nan 8.290 nan 0.000 0.411