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 1mu2_1_A DATA FIRST_RESID 3 DATA SEQUENCE AKVEPIKIML KPGKDGPKLR QWPLTKEKIE ALKEICEKME KEGQLEEAPP DATA SEQUENCE TNPYNTPTFA IKKKDXXXXR MLIDFRELNK VTQDFTEIQL GIPHPAGLAK DATA SEQUENCE KRRITVLDVG DAYFSIPLHE DFRPYTAFTL XXXXXXXXXK RYIYKVLPQG DATA SEQUENCE WKGSPAIFQH TMRQVLEPFR KANKDVIIIQ YMDDILIASD RTDLEHDRVV DATA SEQUENCE LQLKELLNGL GFSTPDEKFQ KDPPYHWMGY ELWPTKWKLQ KIQLPQKEIW DATA SEQUENCE TVNDIQKLVG VLNWAAQLYP GIKTKHLCRL ISGKMTLTEE VQWTELAEAE DATA SEQUENCE LEENRIILSQ EQEGHYYQEE KELEATVQKD QDNQWTYKIH QEEKILKVGK DATA SEQUENCE YAKVXXTHTN GIRLLAQVVQ KIGKEALVIW GRIPKFHLPV EREIWEQWWD DATA SEQUENCE NYWQVTWIPD WDFVSTPPLV RLAFNLVGDP IPGAETFYTD GSCNRQSKEG DATA SEQUENCE KAGYVTDRGK DKVKKLEQTT NQQAELEAFA MALTDSGPKV NIIVDSQYVM DATA SEQUENCE GIVASQPTES ESKIVNQIIE EMIKKEAIYV AWVPAHKGIG GNQEVDHLVS DATA SEQUENCE QGI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.607 177.584 0.038 0.000 1.274 3 A CA 0.000 52.057 52.037 0.034 0.000 0.836 3 A CB 0.000 19.021 19.000 0.036 0.000 0.831 4 K N 0.642 121.065 120.400 0.039 0.000 2.323 4 K HA 0.678 4.758 4.320 -0.399 0.000 0.259 4 K C -0.841 175.791 176.600 0.053 0.000 0.947 4 K CA -0.683 55.630 56.287 0.044 0.000 0.819 4 K CB 2.861 35.383 32.500 0.037 0.000 1.109 4 K HN 0.213 nan 8.250 nan 0.000 0.429 5 V N 2.618 122.571 119.914 0.065 0.000 2.417 5 V HA 0.161 4.041 4.120 -0.399 0.000 0.291 5 V C 0.025 176.168 176.094 0.083 0.000 1.024 5 V CA -0.794 61.551 62.300 0.074 0.000 0.861 5 V CB 1.481 33.357 31.823 0.088 0.000 0.985 5 V HN 0.746 nan 8.190 nan 0.000 0.436 6 E N 5.550 125.800 120.200 0.084 0.000 2.376 6 E HA 0.211 4.322 4.350 -0.399 0.000 0.266 6 E C -2.226 174.451 176.600 0.127 0.000 1.009 6 E CA -1.309 55.154 56.400 0.105 0.000 0.902 6 E CB 0.936 30.697 29.700 0.101 0.000 0.972 6 E HN 0.467 nan 8.360 nan 0.000 0.439 7 P HA 0.010 nan 4.420 nan 0.000 0.269 7 P C -0.225 177.165 177.300 0.151 0.000 1.215 7 P CA 0.018 63.231 63.100 0.188 0.000 0.780 7 P CB 0.435 32.279 31.700 0.239 0.000 0.898 8 I N 1.371 121.989 120.570 0.081 0.000 2.634 8 I HA 0.051 3.982 4.170 -0.399 0.000 0.284 8 I C 0.590 176.624 176.117 -0.138 0.000 1.124 8 I CA -0.391 60.896 61.300 -0.021 0.000 1.417 8 I CB 0.416 38.408 38.000 -0.014 0.000 1.396 8 I HN 0.227 nan 8.210 nan 0.000 0.571 9 K N 7.330 127.556 120.400 -0.289 0.000 2.298 9 K HA 0.445 4.525 4.320 -0.399 0.000 0.280 9 K C -1.066 175.425 176.600 -0.183 0.000 1.032 9 K CA -0.307 55.715 56.287 -0.440 0.000 0.958 9 K CB 0.696 32.958 32.500 -0.397 0.000 0.978 9 K HN 0.548 nan 8.250 nan 0.000 0.472 10 I N 4.229 124.744 120.570 -0.092 0.000 2.740 10 I HA 0.391 4.321 4.170 -0.399 0.000 0.303 10 I C -0.289 175.872 176.117 0.074 0.000 1.044 10 I CA -0.952 60.282 61.300 -0.109 0.000 1.064 10 I CB 2.094 39.863 38.000 -0.386 0.000 1.249 10 I HN 0.531 nan 8.210 nan 0.000 0.433 11 M N 4.370 123.982 119.600 0.021 0.000 2.690 11 M HA 0.568 4.808 4.480 -0.399 0.000 0.302 11 M C -1.076 175.324 176.300 0.167 0.000 1.234 11 M CA -0.727 54.657 55.300 0.139 0.000 0.853 11 M CB 2.586 35.201 32.600 0.025 0.000 1.748 11 M HN 0.309 nan 8.290 nan 0.000 0.469 12 L N 0.814 122.121 121.223 0.141 0.000 2.375 12 L HA 0.458 4.558 4.340 -0.399 0.000 0.268 12 L C 0.023 176.900 176.870 0.011 0.000 1.058 12 L CA -0.927 53.946 54.840 0.054 0.000 0.803 12 L CB 1.068 43.069 42.059 -0.097 0.000 1.212 12 L HN 0.590 nan 8.230 nan 0.000 0.451 13 K N 2.305 122.704 120.400 -0.002 0.000 2.436 13 K HA 0.093 4.173 4.320 -0.399 0.000 0.275 13 K C -2.177 174.419 176.600 -0.007 0.000 0.999 13 K CA -1.215 55.064 56.287 -0.013 0.000 0.980 13 K CB 0.069 32.565 32.500 -0.008 0.000 0.919 13 K HN 0.321 nan 8.250 nan 0.000 0.484 14 P HA -0.119 nan 4.420 nan 0.000 0.265 14 P C 0.363 177.667 177.300 0.005 0.000 1.187 14 P CA 0.565 63.666 63.100 0.001 0.000 0.766 14 P CB 0.466 32.164 31.700 -0.003 0.000 0.820 15 G N 1.011 109.818 108.800 0.013 0.000 2.203 15 G HA2 -0.211 3.509 3.960 -0.399 0.000 0.263 15 G HA3 -0.211 3.509 3.960 -0.399 0.000 0.263 15 G C 0.045 174.955 174.900 0.016 0.000 1.012 15 G CA 0.206 45.316 45.100 0.016 0.000 0.749 15 G HN 0.616 nan 8.290 nan 0.000 0.512 16 K N -0.308 120.098 120.400 0.010 0.000 2.400 16 K HA 0.692 4.773 4.320 -0.399 0.000 0.246 16 K C -0.986 175.608 176.600 -0.009 0.000 0.995 16 K CA -0.865 55.422 56.287 0.001 0.000 0.840 16 K CB 2.104 34.597 32.500 -0.012 0.000 1.293 16 K HN 0.119 nan 8.250 nan 0.000 0.445 17 D N -0.670 119.726 120.400 -0.008 0.000 2.547 17 D HA 0.434 4.834 4.640 -0.399 0.000 0.231 17 D C -0.241 176.005 176.300 -0.090 0.000 1.099 17 D CA -0.314 53.691 54.000 0.010 0.000 0.901 17 D CB 1.897 42.782 40.800 0.141 0.000 1.478 17 D HN 0.552 nan 8.370 nan 0.000 0.471 18 G N 1.049 109.688 108.800 -0.269 0.000 2.732 18 G HA2 0.276 3.996 3.960 -0.399 0.000 0.244 18 G HA3 0.276 3.996 3.960 -0.399 0.000 0.244 18 G C -2.172 172.750 174.900 0.037 0.000 1.226 18 G CA -0.597 44.218 45.100 -0.474 0.000 0.860 18 G HN 0.376 nan 8.290 nan 0.000 0.583 19 P HA 0.277 nan 4.420 nan 0.000 0.274 19 P C -0.997 176.477 177.300 0.289 0.000 1.231 19 P CA -0.202 63.010 63.100 0.187 0.000 0.790 19 P CB 1.167 32.971 31.700 0.175 0.000 0.951 20 K N 2.293 122.801 120.400 0.180 0.000 3.207 20 K HA 0.360 4.441 4.320 -0.399 0.000 0.166 20 K C -0.174 176.451 176.600 0.041 0.000 1.079 20 K CA -0.254 56.104 56.287 0.117 0.000 0.818 20 K CB 0.511 33.059 32.500 0.079 0.000 0.967 20 K HN 0.376 nan 8.250 nan 0.000 0.594 21 L N 1.463 122.705 121.223 0.031 0.000 2.431 21 L HA 0.470 4.571 4.340 -0.399 0.000 0.260 21 L C 0.817 177.593 176.870 -0.157 0.000 1.098 21 L CA -1.150 53.660 54.840 -0.050 0.000 0.800 21 L CB 0.553 42.602 42.059 -0.016 0.000 1.210 21 L HN 0.364 nan 8.230 nan 0.000 0.465 22 R N 1.352 121.655 120.500 -0.328 0.000 2.401 22 R HA 0.098 4.198 4.340 -0.399 0.000 0.299 22 R C -0.600 175.328 176.300 -0.619 0.000 1.064 22 R CA -0.529 55.242 56.100 -0.549 0.000 1.000 22 R CB 0.380 30.154 30.300 -0.876 0.000 0.973 22 R HN 0.405 nan 8.270 nan 0.000 0.438 23 Q N 4.494 124.053 119.800 -0.401 0.000 2.441 23 Q HA 0.112 4.213 4.340 -0.399 0.000 0.234 23 Q C -1.179 174.685 176.000 -0.226 0.000 1.078 23 Q CA -0.290 55.357 55.803 -0.261 0.000 0.907 23 Q CB 0.378 29.037 28.738 -0.132 0.000 1.269 23 Q HN 0.581 nan 8.270 nan 0.000 0.502 24 W N 6.546 127.782 121.300 -0.106 0.000 2.446 24 W HA 0.189 4.609 4.660 -0.400 0.000 0.316 24 W C -1.839 174.634 176.519 -0.076 0.000 1.376 24 W CA -1.820 55.482 57.345 -0.072 0.000 1.300 24 W CB 0.311 29.744 29.460 -0.045 0.000 1.351 24 W HN 0.514 nan 8.180 nan 0.000 0.530 25 P HA 0.140 nan 4.420 nan 0.000 0.265 25 P C -0.475 176.884 177.300 0.099 0.000 1.193 25 P CA 0.451 63.609 63.100 0.097 0.000 0.765 25 P CB 1.378 33.126 31.700 0.080 0.000 0.823 26 L N 1.212 122.473 121.223 0.064 0.000 2.309 26 L HA 0.397 4.498 4.340 -0.399 0.000 0.261 26 L C 1.299 178.197 176.870 0.047 0.000 1.021 26 L CA -1.047 53.829 54.840 0.061 0.000 0.823 26 L CB 2.033 44.127 42.059 0.059 0.000 1.366 26 L HN 0.429 nan 8.230 nan 0.000 0.423 27 T N -1.239 113.341 114.554 0.044 0.000 2.779 27 T HA -0.083 4.027 4.350 -0.399 0.000 0.348 27 T C 1.135 175.854 174.700 0.032 0.000 1.090 27 T CA 0.531 62.652 62.100 0.035 0.000 1.111 27 T CB 0.465 69.352 68.868 0.032 0.000 1.026 27 T HN 0.855 nan 8.240 nan 0.000 0.547 28 K N 1.208 121.624 120.400 0.026 0.000 2.062 28 K HA -0.130 3.950 4.320 -0.399 0.000 0.205 28 K C 2.157 178.771 176.600 0.024 0.000 1.051 28 K CA 1.496 57.797 56.287 0.023 0.000 0.941 28 K CB -0.450 32.061 32.500 0.019 0.000 0.719 28 K HN 0.869 nan 8.250 nan 0.000 0.440 29 E N 1.973 122.187 120.200 0.023 0.000 2.058 29 E HA -0.213 3.897 4.350 -0.399 0.000 0.194 29 E C 1.791 178.407 176.600 0.027 0.000 0.997 29 E CA 1.391 57.804 56.400 0.022 0.000 0.801 29 E CB 0.097 29.809 29.700 0.020 0.000 0.746 29 E HN 0.333 nan 8.360 nan 0.000 0.450 30 K N 0.473 120.892 120.400 0.032 0.000 1.969 30 K HA -0.145 3.935 4.320 -0.399 0.000 0.216 30 K C 2.292 178.916 176.600 0.040 0.000 1.048 30 K CA 1.883 58.193 56.287 0.039 0.000 0.948 30 K CB -0.444 32.084 32.500 0.047 0.000 0.726 30 K HN 0.236 nan 8.250 nan 0.000 0.442 31 I N 1.419 122.013 120.570 0.040 0.000 2.576 31 I HA -0.316 3.614 4.170 -0.399 0.000 0.263 31 I C 2.489 178.630 176.117 0.041 0.000 1.183 31 I CA 1.200 62.526 61.300 0.043 0.000 1.432 31 I CB -0.437 37.586 38.000 0.037 0.000 1.100 31 I HN 0.381 nan 8.210 nan 0.000 0.452 32 E N 1.341 121.561 120.200 0.034 0.000 2.042 32 E HA -0.146 3.964 4.350 -0.399 0.000 0.189 32 E C 2.376 178.994 176.600 0.030 0.000 0.974 32 E CA 1.020 57.438 56.400 0.029 0.000 0.806 32 E CB 0.003 29.718 29.700 0.023 0.000 0.769 32 E HN 0.432 nan 8.360 nan 0.000 0.451 33 A N 0.913 123.751 122.820 0.030 0.000 1.898 33 A HA -0.134 3.946 4.320 -0.399 0.000 0.216 33 A C 2.078 179.681 177.584 0.031 0.000 1.181 33 A CA 0.943 52.997 52.037 0.028 0.000 0.620 33 A CB -0.584 18.433 19.000 0.028 0.000 0.819 33 A HN 0.286 nan 8.150 nan 0.000 0.442 34 L N 0.041 121.289 121.223 0.041 0.000 1.970 34 L HA -0.191 3.909 4.340 -0.399 0.000 0.212 34 L C 2.392 179.289 176.870 0.044 0.000 1.071 34 L CA 2.249 57.118 54.840 0.049 0.000 0.751 34 L CB -0.746 41.355 42.059 0.069 0.000 0.889 34 L HN 0.349 nan 8.230 nan 0.000 0.432 35 K N -0.848 119.587 120.400 0.058 0.000 2.160 35 K HA -0.258 3.822 4.320 -0.399 0.000 0.206 35 K C 2.048 178.666 176.600 0.029 0.000 1.047 35 K CA 1.595 57.921 56.287 0.065 0.000 0.930 35 K CB -0.149 32.394 32.500 0.072 0.000 0.720 35 K HN 0.413 nan 8.250 nan 0.000 0.450 36 E N 1.002 121.215 120.200 0.021 0.000 2.072 36 E HA -0.175 3.936 4.350 -0.399 0.000 0.191 36 E C 1.910 178.507 176.600 -0.007 0.000 0.985 36 E CA 0.933 57.339 56.400 0.010 0.000 0.801 36 E CB 0.035 29.744 29.700 0.014 0.000 0.750 36 E HN 0.250 nan 8.360 nan 0.000 0.452 37 I N 0.510 121.075 120.570 -0.007 0.000 2.142 37 I HA -0.330 3.601 4.170 -0.399 0.000 0.240 37 I C 2.576 178.649 176.117 -0.074 0.000 1.078 37 I CA 0.839 62.129 61.300 -0.018 0.000 1.343 37 I CB -0.360 37.642 38.000 0.004 0.000 1.046 37 I HN 0.314 nan 8.210 nan 0.000 0.405 38 C N 0.585 119.807 119.300 -0.129 0.000 2.422 38 C HA -0.153 4.068 4.460 -0.399 0.000 0.279 38 C C 2.739 177.573 174.990 -0.261 0.000 1.305 38 C CA 0.899 59.718 59.018 -0.332 0.000 1.757 38 C CB -1.172 26.196 27.740 -0.620 0.000 1.962 38 C HN 0.552 nan 8.230 nan 0.000 0.499 39 E N 1.489 121.626 120.200 -0.105 0.000 2.038 39 E HA -0.298 3.813 4.350 -0.399 0.000 0.195 39 E C 2.220 178.784 176.600 -0.059 0.000 1.000 39 E CA 1.502 57.879 56.400 -0.039 0.000 0.803 39 E CB -0.249 29.447 29.700 -0.006 0.000 0.750 39 E HN 0.618 nan 8.360 nan 0.000 0.448 40 K N -0.191 120.172 120.400 -0.062 0.000 2.057 40 K HA -0.138 3.942 4.320 -0.399 0.000 0.207 40 K C 2.304 178.839 176.600 -0.107 0.000 1.049 40 K CA 1.628 57.878 56.287 -0.062 0.000 0.931 40 K CB -0.054 32.423 32.500 -0.037 0.000 0.714 40 K HN 0.228 nan 8.250 nan 0.000 0.440 41 M N 0.246 119.754 119.600 -0.153 0.000 2.175 41 M HA -0.162 4.078 4.480 -0.399 0.000 0.264 41 M C 2.200 178.375 176.300 -0.209 0.000 1.063 41 M CA 1.603 56.765 55.300 -0.231 0.000 1.119 41 M CB -0.280 32.164 32.600 -0.259 0.000 1.377 41 M HN 0.268 nan 8.290 nan 0.000 0.415 42 E N 0.921 121.018 120.200 -0.170 0.000 2.106 42 E HA -0.175 3.936 4.350 -0.399 0.000 0.192 42 E C 1.815 178.373 176.600 -0.069 0.000 0.984 42 E CA 1.119 57.464 56.400 -0.092 0.000 0.806 42 E CB 0.198 29.899 29.700 0.001 0.000 0.750 42 E HN 0.404 nan 8.360 nan 0.000 0.458 43 K N 0.594 120.954 120.400 -0.067 0.000 1.969 43 K HA -0.183 3.898 4.320 -0.399 0.000 0.216 43 K C 2.122 178.683 176.600 -0.065 0.000 1.048 43 K CA 1.884 58.140 56.287 -0.052 0.000 0.948 43 K CB -0.195 32.279 32.500 -0.044 0.000 0.726 43 K HN 0.190 nan 8.250 nan 0.000 0.442 44 E N -0.712 119.433 120.200 -0.092 0.000 2.333 44 E HA -0.130 3.981 4.350 -0.399 0.000 0.198 44 E C 1.014 177.545 176.600 -0.114 0.000 1.007 44 E CA 0.762 57.100 56.400 -0.103 0.000 0.845 44 E CB 0.055 29.673 29.700 -0.137 0.000 0.766 44 E HN 0.653 nan 8.360 nan 0.000 0.507 45 G N 0.758 109.487 108.800 -0.119 0.000 2.184 45 G HA2 -0.268 3.453 3.960 -0.399 0.000 0.206 45 G HA3 -0.268 3.453 3.960 -0.399 0.000 0.206 45 G C 0.873 175.702 174.900 -0.117 0.000 0.995 45 G CA 0.331 45.373 45.100 -0.096 0.000 0.651 45 G HN 0.180 nan 8.290 nan 0.000 0.511 46 Q N -0.184 119.488 119.800 -0.213 0.000 2.123 46 Q HA 0.406 4.506 4.340 -0.399 0.000 0.199 46 Q C 1.520 177.437 176.000 -0.139 0.000 0.966 46 Q CA 1.006 56.676 55.803 -0.220 0.000 0.845 46 Q CB 0.140 28.569 28.738 -0.515 0.000 0.907 46 Q HN 0.669 nan 8.270 nan 0.000 0.439 47 L N -0.277 120.837 121.223 -0.181 0.000 2.313 47 L HA 0.548 4.648 4.340 -0.399 0.000 0.268 47 L C -0.380 176.468 176.870 -0.038 0.000 1.010 47 L CA -0.894 53.854 54.840 -0.154 0.000 0.814 47 L CB 1.995 43.896 42.059 -0.263 0.000 1.304 47 L HN 0.053 nan 8.230 nan 0.000 0.441 48 E N 0.514 120.733 120.200 0.031 0.000 2.392 48 E HA 0.233 4.343 4.350 -0.399 0.000 0.279 48 E C -1.660 174.969 176.600 0.048 0.000 0.964 48 E CA -0.729 55.694 56.400 0.037 0.000 0.777 48 E CB 2.175 31.875 29.700 -0.001 0.000 1.249 48 E HN 0.561 nan 8.360 nan 0.000 0.449 49 E N 1.418 121.601 120.200 -0.029 0.000 2.289 49 E HA 0.428 4.538 4.350 -0.399 0.000 0.278 49 E C -0.815 175.697 176.600 -0.147 0.000 1.032 49 E CA -0.312 55.990 56.400 -0.165 0.000 0.854 49 E CB 1.089 30.667 29.700 -0.203 0.000 1.046 49 E HN 0.535 nan 8.360 nan 0.000 0.409 50 A N 6.262 128.967 122.820 -0.191 0.000 2.488 50 A HA 0.252 4.332 4.320 -0.399 0.000 0.249 50 A C -2.030 175.478 177.584 -0.127 0.000 1.083 50 A CA -1.187 50.767 52.037 -0.138 0.000 0.768 50 A CB -0.109 18.807 19.000 -0.140 0.000 1.017 50 A HN 0.502 nan 8.150 nan 0.000 0.496 51 P HA 0.103 nan 4.420 nan 0.000 0.268 51 P C -2.204 175.038 177.300 -0.096 0.000 1.208 51 P CA -1.008 62.038 63.100 -0.090 0.000 0.777 51 P CB -0.043 31.612 31.700 -0.075 0.000 0.875 52 P HA -0.078 nan 4.420 nan 0.000 0.223 52 P C 0.938 178.184 177.300 -0.090 0.000 1.144 52 P CA 1.463 64.508 63.100 -0.090 0.000 0.783 52 P CB -0.245 31.408 31.700 -0.079 0.000 0.771 53 T N -2.369 112.132 114.554 -0.087 0.000 3.107 53 T HA 0.016 4.127 4.350 -0.399 0.000 0.249 53 T C 0.779 175.407 174.700 -0.120 0.000 1.096 53 T CA -0.111 61.932 62.100 -0.094 0.000 1.012 53 T CB -0.631 68.189 68.868 -0.079 0.000 0.977 53 T HN 0.082 nan 8.240 nan 0.000 0.527 54 N N 3.288 121.920 118.700 -0.114 0.000 2.416 54 N HA 0.057 4.557 4.740 -0.399 0.000 0.265 54 N C -1.647 173.751 175.510 -0.187 0.000 1.195 54 N CA -1.259 51.716 53.050 -0.125 0.000 0.943 54 N CB 1.523 39.976 38.487 -0.056 0.000 1.115 54 N HN 0.136 nan 8.380 nan 0.000 0.481 55 P HA 0.052 nan 4.420 nan 0.000 0.257 55 P C -0.466 176.629 177.300 -0.342 0.000 1.241 55 P CA 0.241 63.114 63.100 -0.379 0.000 0.816 55 P CB 0.230 31.645 31.700 -0.476 0.000 1.150 56 Y N 1.118 121.428 120.300 0.016 0.000 2.301 56 Y HA 0.487 4.797 4.550 -0.399 0.000 0.328 56 Y C 0.937 176.868 175.900 0.052 0.000 1.242 56 Y CA -0.268 57.865 58.100 0.055 0.000 1.323 56 Y CB 0.304 38.826 38.460 0.104 0.000 1.266 56 Y HN -0.094 nan 8.280 nan 0.000 0.527 57 N N -0.898 117.953 118.700 0.253 0.000 2.636 57 N HA 0.466 4.966 4.740 -0.399 0.000 0.261 57 N C -1.876 173.738 175.510 0.172 0.000 1.195 57 N CA -0.480 52.675 53.050 0.174 0.000 0.902 57 N CB 1.708 40.236 38.487 0.069 0.000 1.627 57 N HN 0.543 nan 8.380 nan 0.000 0.491 58 T N 2.454 117.115 114.554 0.178 0.000 2.886 58 T HA 0.530 4.641 4.350 -0.399 0.000 0.292 58 T C -2.798 171.924 174.700 0.036 0.000 1.012 58 T CA -0.986 61.180 62.100 0.111 0.000 0.982 58 T CB 1.990 70.910 68.868 0.086 0.000 1.018 58 T HN 0.272 nan 8.240 nan 0.000 0.451 59 P HA 0.210 nan 4.420 nan 0.000 0.265 59 P C -0.635 176.559 177.300 -0.176 0.000 1.193 59 P CA 0.024 63.080 63.100 -0.073 0.000 0.765 59 P CB 0.335 32.122 31.700 0.147 0.000 0.823 60 T N 3.525 117.877 114.554 -0.337 0.000 2.855 60 T HA 0.666 4.776 4.350 -0.399 0.000 0.281 60 T C -0.508 173.882 174.700 -0.517 0.000 1.007 60 T CA -0.105 61.838 62.100 -0.260 0.000 1.009 60 T CB 0.500 69.334 68.868 -0.057 0.000 0.983 60 T HN 0.090 nan 8.240 nan 0.000 0.455 61 F N 0.442 120.402 119.950 0.017 0.000 2.629 61 F HA 0.745 5.033 4.527 -0.399 0.000 0.316 61 F C -0.083 175.726 175.800 0.014 0.000 1.081 61 F CA -1.171 56.847 58.000 0.030 0.000 0.954 61 F CB 1.779 40.790 39.000 0.018 0.000 1.337 61 F HN 0.662 nan 8.300 nan 0.000 0.474 62 A N 2.221 125.176 122.820 0.225 0.000 2.356 62 A HA 0.905 4.986 4.320 -0.399 0.000 0.310 62 A C -1.125 176.522 177.584 0.105 0.000 1.075 62 A CA -0.616 51.496 52.037 0.124 0.000 0.746 62 A CB 0.840 19.892 19.000 0.087 0.000 1.221 62 A HN 0.680 nan 8.150 nan 0.000 0.443 63 I N -0.506 120.103 120.570 0.065 0.000 2.608 63 I HA 0.489 4.420 4.170 -0.399 0.000 0.295 63 I C -0.058 176.069 176.117 0.016 0.000 1.049 63 I CA -1.227 60.091 61.300 0.031 0.000 1.063 63 I CB 1.894 39.900 38.000 0.009 0.000 1.248 63 I HN 0.348 nan 8.210 nan 0.000 0.424 64 K N 5.551 125.954 120.400 0.004 0.000 2.366 64 K HA -0.005 4.075 4.320 -0.399 0.000 0.279 64 K C -0.029 176.567 176.600 -0.007 0.000 1.098 64 K CA 0.287 56.573 56.287 -0.002 0.000 1.087 64 K CB 0.253 32.746 32.500 -0.010 0.000 0.901 64 K HN 0.778 nan 8.250 nan 0.000 0.463 65 K N 3.002 123.402 120.400 -0.001 0.000 2.490 65 K HA -0.187 3.893 4.320 -0.399 0.000 0.264 65 K C -0.252 176.341 176.600 -0.012 0.000 1.027 65 K CA 1.116 57.401 56.287 -0.003 0.000 1.139 65 K CB 0.100 32.600 32.500 0.001 0.000 0.792 65 K HN 0.313 nan 8.250 nan 0.000 0.479 66 K N 2.475 122.865 120.400 -0.015 0.000 3.322 66 K HA 0.001 4.082 4.320 -0.399 0.000 0.291 66 K C -0.828 175.762 176.600 -0.018 0.000 1.131 66 K CA 0.166 56.440 56.287 -0.023 0.000 1.185 66 K CB -0.203 32.281 32.500 -0.027 0.000 1.338 66 K HN 0.660 nan 8.250 nan 0.000 0.380 73 M N 2.251 121.878 119.600 0.046 0.000 2.209 73 M HA 0.425 4.665 4.480 -0.399 0.000 0.355 73 M C -1.438 174.891 176.300 0.049 0.000 1.171 73 M CA -0.602 54.726 55.300 0.047 0.000 1.069 73 M CB 1.290 33.907 32.600 0.029 0.000 1.622 73 M HN 0.039 nan 8.290 nan 0.000 0.459 74 L N 7.092 128.354 121.223 0.065 0.000 2.446 74 L HA 0.561 4.661 4.340 -0.399 0.000 0.268 74 L C -1.530 175.382 176.870 0.071 0.000 0.975 74 L CA -0.145 54.737 54.840 0.071 0.000 0.848 74 L CB 1.406 43.514 42.059 0.083 0.000 1.225 74 L HN 0.691 nan 8.230 nan 0.000 0.410 75 I N 3.146 123.676 120.570 -0.065 0.000 2.396 75 I HA 0.233 4.164 4.170 -0.399 0.000 0.292 75 I C -0.177 175.815 176.117 -0.209 0.000 0.999 75 I CA -0.383 60.755 61.300 -0.269 0.000 1.310 75 I CB 1.303 38.877 38.000 -0.710 0.000 1.404 75 I HN 0.590 nan 8.210 nan 0.000 0.496 76 D N 5.459 125.800 120.400 -0.099 0.000 2.563 76 D HA 0.162 4.562 4.640 -0.399 0.000 0.222 76 D C 0.325 176.627 176.300 0.003 0.000 1.145 76 D CA -0.206 53.822 54.000 0.047 0.000 1.001 76 D CB -0.018 40.959 40.800 0.294 0.000 1.049 76 D HN 0.226 nan 8.370 nan 0.000 0.515 77 F N 1.301 121.351 119.950 0.167 0.000 2.754 77 F HA 0.175 4.462 4.527 -0.400 0.000 0.303 77 F C 2.064 177.967 175.800 0.172 0.000 1.196 77 F CA 0.044 58.153 58.000 0.182 0.000 1.416 77 F CB -0.193 38.935 39.000 0.215 0.000 1.092 77 F HN 0.268 nan 8.300 nan 0.000 0.541 78 R N -0.027 120.639 120.500 0.276 0.000 2.091 78 R HA -0.225 3.875 4.340 -0.399 0.000 0.238 78 R C 2.061 178.478 176.300 0.194 0.000 1.136 78 R CA 1.709 57.929 56.100 0.201 0.000 0.959 78 R CB -0.188 30.198 30.300 0.144 0.000 0.856 78 R HN 0.188 nan 8.270 nan 0.000 0.437 79 E N 0.719 121.044 120.200 0.208 0.000 2.112 79 E HA -0.122 3.988 4.350 -0.399 0.000 0.190 79 E C 1.723 178.437 176.600 0.189 0.000 0.979 79 E CA 0.592 57.095 56.400 0.173 0.000 0.814 79 E CB -0.146 29.648 29.700 0.157 0.000 0.762 79 E HN 0.119 nan 8.360 nan 0.000 0.460 80 L N 0.901 122.290 121.223 0.276 0.000 2.046 80 L HA -0.117 3.983 4.340 -0.399 0.000 0.208 80 L C 1.465 178.522 176.870 0.312 0.000 1.077 80 L CA 1.785 56.790 54.840 0.275 0.000 0.747 80 L CB -0.770 41.516 42.059 0.378 0.000 0.896 80 L HN 0.089 nan 8.230 nan 0.000 0.432 81 N N 0.177 119.067 118.700 0.318 0.000 2.120 81 N HA -0.222 4.278 4.740 -0.399 0.000 0.188 81 N C 1.829 177.427 175.510 0.147 0.000 1.024 81 N CA 1.418 54.601 53.050 0.221 0.000 0.852 81 N CB -0.320 38.255 38.487 0.147 0.000 1.003 81 N HN 0.425 nan 8.380 nan 0.000 0.424 82 K N 0.554 121.032 120.400 0.129 0.000 2.211 82 K HA -0.027 4.053 4.320 -0.399 0.000 0.204 82 K C 1.266 177.910 176.600 0.073 0.000 1.047 82 K CA 0.745 57.084 56.287 0.086 0.000 0.935 82 K CB 0.225 32.774 32.500 0.082 0.000 0.728 82 K HN -0.034 nan 8.250 nan 0.000 0.452 83 V N 0.395 120.361 119.914 0.086 0.000 3.471 83 V HA -0.006 3.875 4.120 -0.399 0.000 0.258 83 V C 0.525 176.664 176.094 0.075 0.000 1.192 83 V CA 0.476 62.804 62.300 0.047 0.000 1.116 83 V CB 0.756 32.574 31.823 -0.009 0.000 0.792 83 V HN 0.210 nan 8.190 nan 0.000 0.459 84 T N 2.165 116.827 114.554 0.180 0.000 2.926 84 T HA 0.218 4.329 4.350 -0.399 0.000 0.307 84 T C 0.363 175.119 174.700 0.095 0.000 1.059 84 T CA -0.204 62.059 62.100 0.272 0.000 1.122 84 T CB 0.727 69.893 68.868 0.497 0.000 0.972 84 T HN 0.659 nan 8.240 nan 0.000 0.545 85 Q N 2.002 121.790 119.800 -0.020 0.000 2.700 85 Q HA 0.136 4.236 4.340 -0.399 0.000 0.232 85 Q C -0.751 175.078 176.000 -0.285 0.000 1.110 85 Q CA -0.394 55.293 55.803 -0.193 0.000 1.026 85 Q CB 0.400 28.935 28.738 -0.338 0.000 1.311 85 Q HN 0.403 nan 8.270 nan 0.000 0.583 86 D N -0.058 120.174 120.400 -0.281 0.000 2.264 86 D HA 0.367 4.767 4.640 -0.399 0.000 0.249 86 D C -0.828 175.233 176.300 -0.398 0.000 1.070 86 D CA -0.099 53.790 54.000 -0.185 0.000 0.912 86 D CB 0.612 41.352 40.800 -0.101 0.000 1.193 86 D HN 0.340 nan 8.370 nan 0.000 0.427 87 F N -0.730 119.129 119.950 -0.151 0.000 2.697 87 F HA 0.370 4.658 4.527 -0.400 0.000 0.386 87 F C 0.996 176.726 175.800 -0.117 0.000 1.154 87 F CA -0.891 57.015 58.000 -0.157 0.000 1.108 87 F CB 0.681 39.552 39.000 -0.216 0.000 1.429 87 F HN -0.029 nan 8.300 nan 0.000 0.509 88 T N -0.009 114.610 114.554 0.110 0.000 2.829 88 T HA 0.374 4.484 4.350 -0.399 0.000 0.282 88 T C -0.903 173.815 174.700 0.031 0.000 0.990 88 T CA -0.649 61.474 62.100 0.039 0.000 1.028 88 T CB 0.454 69.332 68.868 0.016 0.000 0.951 88 T HN 0.432 nan 8.240 nan 0.000 0.460 89 E N 4.805 125.014 120.200 0.015 0.000 1.856 89 E HA 0.235 4.345 4.350 -0.399 0.000 0.263 89 E C 0.956 177.561 176.600 0.009 0.000 1.137 89 E CA -0.037 56.365 56.400 0.004 0.000 1.007 89 E CB -0.106 29.598 29.700 0.007 0.000 1.117 89 E HN 0.590 nan 8.360 nan 0.000 0.438 90 I N 1.188 121.762 120.570 0.007 0.000 3.241 90 I HA -0.187 3.743 4.170 -0.399 0.000 0.280 90 I C 0.108 176.234 176.117 0.014 0.000 1.320 90 I CA 0.997 62.306 61.300 0.015 0.000 1.413 90 I CB 0.215 38.231 38.000 0.027 0.000 1.060 90 I HN 0.453 nan 8.210 nan 0.000 0.500 91 Q N 1.226 121.037 119.800 0.018 0.000 3.068 91 Q HA 0.222 4.322 4.340 -0.399 0.000 0.209 91 Q C -1.926 174.139 176.000 0.108 0.000 0.802 91 Q CA -0.442 55.396 55.803 0.058 0.000 0.848 91 Q CB 0.866 29.637 28.738 0.055 0.000 1.459 91 Q HN 0.191 nan 8.270 nan 0.000 0.455 92 L N 2.959 124.240 121.223 0.095 0.000 2.276 92 L HA 0.969 5.069 4.340 -0.399 0.000 0.286 92 L C -0.392 176.539 176.870 0.101 0.000 1.024 92 L CA 0.660 55.565 54.840 0.108 0.000 0.826 92 L CB 1.425 43.522 42.059 0.063 0.000 1.211 92 L HN 0.588 nan 8.230 nan 0.000 0.422 93 G N 4.880 113.760 108.800 0.134 0.000 2.312 93 G HA2 0.167 3.888 3.960 -0.399 0.000 0.322 93 G HA3 0.167 3.888 3.960 -0.399 0.000 0.322 93 G C -1.640 173.278 174.900 0.029 0.000 1.645 93 G CA -0.927 44.206 45.100 0.056 0.000 0.919 93 G HN 0.540 nan 8.290 nan 0.000 0.699 94 I N 2.345 122.848 120.570 -0.111 0.000 2.441 94 I HA 0.406 4.337 4.170 -0.399 0.000 0.295 94 I C -1.856 174.144 176.117 -0.194 0.000 0.994 94 I CA -2.246 58.844 61.300 -0.350 0.000 1.144 94 I CB 2.383 40.164 38.000 -0.366 0.000 1.314 94 I HN 0.248 nan 8.210 nan 0.000 0.445 95 P HA 0.039 nan 4.420 nan 0.000 0.266 95 P C -1.240 176.060 177.300 -0.001 0.000 1.195 95 P CA 0.159 63.277 63.100 0.029 0.000 0.768 95 P CB 0.237 32.114 31.700 0.296 0.000 0.838 96 H N 4.027 122.985 119.070 -0.186 0.000 2.481 96 H HA 0.247 4.566 4.556 -0.395 0.000 0.333 96 H C -1.422 173.623 175.328 -0.470 0.000 1.066 96 H CA -2.112 53.702 56.048 -0.389 0.000 1.209 96 H CB 1.484 30.974 29.762 -0.453 0.000 1.445 96 H HN 0.282 nan 8.280 nan 0.000 0.488 97 P HA -0.210 nan 4.420 nan 0.000 0.220 97 P C 0.844 177.891 177.300 -0.422 0.000 1.144 97 P CA 1.405 64.140 63.100 -0.608 0.000 0.800 97 P CB 0.147 31.285 31.700 -0.935 0.000 0.772 98 A N 0.016 122.611 122.820 -0.375 0.000 2.119 98 A HA 0.101 4.182 4.320 -0.399 0.000 0.217 98 A C 2.341 180.105 177.584 0.300 0.000 1.153 98 A CA 1.461 53.579 52.037 0.135 0.000 0.692 98 A CB -1.341 17.842 19.000 0.304 0.000 0.799 98 A HN 0.336 nan 8.150 nan 0.000 0.458 99 G N -1.389 107.391 108.800 -0.034 0.000 3.088 99 G HA2 0.338 4.059 3.960 -0.399 0.000 0.217 99 G HA3 0.338 4.059 3.960 -0.399 0.000 0.217 99 G C 0.412 175.385 174.900 0.122 0.000 1.159 99 G CA -0.294 44.719 45.100 -0.145 0.000 0.760 99 G HN 0.387 nan 8.290 nan 0.000 0.550 100 L N 2.288 123.607 121.223 0.160 0.000 2.361 100 L HA 0.570 4.670 4.340 -0.399 0.000 0.278 100 L C 0.745 177.780 176.870 0.275 0.000 1.113 100 L CA -0.734 54.192 54.840 0.143 0.000 0.849 100 L CB 0.929 43.023 42.059 0.058 0.000 1.155 100 L HN 0.142 nan 8.230 nan 0.000 0.452 101 A N 5.789 128.727 122.820 0.197 0.000 2.462 101 A HA 0.084 4.164 4.320 -0.399 0.000 0.243 101 A C 0.110 177.717 177.584 0.039 0.000 1.076 101 A CA -0.224 51.910 52.037 0.161 0.000 0.773 101 A CB 0.182 19.226 19.000 0.073 0.000 1.010 101 A HN 0.779 nan 8.150 nan 0.000 0.493 102 K N 1.857 122.288 120.400 0.051 0.000 2.378 102 K HA 0.150 4.231 4.320 -0.399 0.000 0.288 102 K C -0.595 175.951 176.600 -0.090 0.000 1.057 102 K CA 0.081 56.343 56.287 -0.043 0.000 0.971 102 K CB 0.198 32.734 32.500 0.060 0.000 0.975 102 K HN 0.529 nan 8.250 nan 0.000 0.475 103 K N 3.237 123.538 120.400 -0.165 0.000 2.385 103 K HA 0.166 4.246 4.320 -0.399 0.000 0.248 103 K C 0.548 177.055 176.600 -0.156 0.000 0.955 103 K CA -0.635 55.569 56.287 -0.139 0.000 0.816 103 K CB 1.658 34.072 32.500 -0.144 0.000 1.250 103 K HN 0.548 nan 8.250 nan 0.000 0.434 104 R N 0.725 121.151 120.500 -0.124 0.000 2.083 104 R HA -0.075 4.025 4.340 -0.399 0.000 0.237 104 R C 0.044 176.232 176.300 -0.186 0.000 1.137 104 R CA 1.638 57.666 56.100 -0.121 0.000 0.951 104 R CB 0.345 30.591 30.300 -0.089 0.000 0.851 104 R HN 0.249 nan 8.270 nan 0.000 0.434 105 R N 0.144 120.461 120.500 -0.305 0.000 2.670 105 R HA 0.470 4.570 4.340 -0.399 0.000 0.289 105 R C -0.879 175.088 176.300 -0.556 0.000 0.965 105 R CA -0.708 55.078 56.100 -0.524 0.000 0.899 105 R CB 1.810 31.519 30.300 -0.984 0.000 1.173 105 R HN 0.134 nan 8.270 nan 0.000 0.456 106 I N 0.483 120.759 120.570 -0.490 0.000 2.730 106 I HA 0.448 4.379 4.170 -0.399 0.000 0.298 106 I C -0.457 175.368 176.117 -0.486 0.000 1.089 106 I CA -0.536 60.449 61.300 -0.525 0.000 1.041 106 I CB 2.924 40.435 38.000 -0.814 0.000 1.235 106 I HN 0.389 nan 8.210 nan 0.000 0.423 107 T N 3.849 118.186 114.554 -0.361 0.000 2.993 107 T HA 0.529 4.640 4.350 -0.399 0.000 0.312 107 T C -1.050 173.456 174.700 -0.322 0.000 1.115 107 T CA -0.470 61.475 62.100 -0.258 0.000 1.027 107 T CB 2.372 71.209 68.868 -0.051 0.000 1.116 107 T HN 0.170 nan 8.240 nan 0.000 0.464 108 V N 4.031 123.783 119.914 -0.270 0.000 2.656 108 V HA 0.850 4.730 4.120 -0.399 0.000 0.307 108 V C -1.115 174.873 176.094 -0.176 0.000 1.051 108 V CA -0.872 61.337 62.300 -0.152 0.000 0.893 108 V CB 1.534 33.371 31.823 0.023 0.000 0.999 108 V HN 0.831 nan 8.190 nan 0.000 0.426 109 L N 1.636 122.823 121.223 -0.060 0.000 2.518 109 L HA 0.886 4.986 4.340 -0.399 0.000 0.257 109 L C -1.351 175.561 176.870 0.069 0.000 0.980 109 L CA -0.508 54.334 54.840 0.003 0.000 0.837 109 L CB 2.173 44.269 42.059 0.062 0.000 1.410 109 L HN 0.351 nan 8.230 nan 0.000 0.410 110 D N 0.842 121.293 120.400 0.086 0.000 2.269 110 D HA 0.632 5.033 4.640 -0.399 0.000 0.244 110 D C -0.697 175.651 176.300 0.080 0.000 0.992 110 D CA -0.243 53.801 54.000 0.073 0.000 0.894 110 D CB 2.693 43.520 40.800 0.043 0.000 1.248 110 D HN 0.488 nan 8.370 nan 0.000 0.468 111 V N 1.190 121.151 119.914 0.078 0.000 2.432 111 V HA 0.549 4.430 4.120 -0.399 0.000 0.275 111 V C 0.937 177.056 176.094 0.042 0.000 1.043 111 V CA -0.472 61.895 62.300 0.112 0.000 0.925 111 V CB 1.296 33.238 31.823 0.198 0.000 0.985 111 V HN 0.596 nan 8.190 nan 0.000 0.466 112 G N 2.337 111.167 108.800 0.050 0.000 2.400 112 G HA2 0.409 4.129 3.960 -0.399 0.000 0.301 112 G HA3 0.409 4.129 3.960 -0.399 0.000 0.301 112 G C -0.155 174.717 174.900 -0.047 0.000 1.154 112 G CA -0.373 44.718 45.100 -0.016 0.000 0.852 112 G HN 0.827 nan 8.290 nan 0.000 0.511 113 D N 0.395 120.683 120.400 -0.185 0.000 2.829 113 D HA -0.232 4.168 4.640 -0.399 0.000 0.219 113 D C 1.598 177.798 176.300 -0.166 0.000 1.239 113 D CA 0.851 54.645 54.000 -0.344 0.000 0.685 113 D CB -0.749 39.922 40.800 -0.215 0.000 0.950 113 D HN 0.608 nan 8.370 nan 0.000 0.398 114 A N 0.384 123.076 122.820 -0.213 0.000 1.877 114 A HA -0.235 3.846 4.320 -0.399 0.000 0.216 114 A C 1.754 179.467 177.584 0.215 0.000 1.186 114 A CA 1.085 53.130 52.037 0.014 0.000 0.620 114 A CB -0.418 18.305 19.000 -0.461 0.000 0.822 114 A HN 0.429 nan 8.150 nan 0.000 0.443 115 Y N -1.183 119.043 120.300 -0.124 0.000 2.274 115 Y HA -0.116 4.194 4.550 -0.400 0.000 0.290 115 Y C 2.126 178.172 175.900 0.242 0.000 1.145 115 Y CA -0.032 58.096 58.100 0.047 0.000 1.203 115 Y CB -1.136 37.307 38.460 -0.028 0.000 0.984 115 Y HN 0.329 nan 8.280 nan 0.000 0.533 116 F N 0.062 120.123 119.950 0.185 0.000 2.333 116 F HA -0.155 4.132 4.527 -0.399 0.000 0.300 116 F C 2.186 178.008 175.800 0.037 0.000 1.083 116 F CA 0.926 58.992 58.000 0.110 0.000 1.395 116 F CB -1.176 37.861 39.000 0.061 0.000 1.056 116 F HN -0.066 nan 8.300 nan 0.000 0.529 117 S N -0.580 115.217 115.700 0.161 0.000 2.575 117 S HA 0.227 4.458 4.470 -0.399 0.000 0.215 117 S C 0.676 175.242 174.600 -0.056 0.000 0.966 117 S CA 0.087 58.209 58.200 -0.129 0.000 0.911 117 S CB 0.067 62.860 63.200 -0.678 0.000 0.780 117 S HN 0.083 nan 8.310 nan 0.000 0.514 118 I N 3.842 124.498 120.570 0.143 0.000 2.382 118 I HA 0.310 4.241 4.170 -0.399 0.000 0.285 118 I C -2.612 173.599 176.117 0.157 0.000 1.007 118 I CA -2.629 58.780 61.300 0.182 0.000 1.142 118 I CB 2.142 40.311 38.000 0.283 0.000 1.289 118 I HN -0.141 nan 8.210 nan 0.000 0.453 119 P HA 0.056 nan 4.420 nan 0.000 0.271 119 P C -0.798 176.576 177.300 0.122 0.000 1.216 119 P CA -0.353 62.812 63.100 0.109 0.000 0.771 119 P CB 1.514 33.266 31.700 0.086 0.000 0.864 120 L N 4.271 125.560 121.223 0.110 0.000 2.312 120 L HA 0.340 4.441 4.340 -0.399 0.000 0.281 120 L C 0.389 177.335 176.870 0.126 0.000 1.070 120 L CA -0.778 54.126 54.840 0.107 0.000 0.805 120 L CB 0.118 42.211 42.059 0.058 0.000 1.174 120 L HN 0.396 nan 8.230 nan 0.000 0.434 121 H N 2.226 121.341 119.070 0.076 0.000 3.034 121 H HA -0.026 4.290 4.556 -0.399 0.000 0.324 121 H C 1.113 176.491 175.328 0.084 0.000 1.015 121 H CA 1.412 57.510 56.048 0.083 0.000 1.429 121 H CB 0.595 30.414 29.762 0.095 0.000 1.429 121 H HN 0.848 nan 8.280 nan 0.000 0.585 122 E N 2.606 122.491 120.200 -0.526 0.000 2.086 122 E HA -0.293 3.817 4.350 -0.399 0.000 0.200 122 E C 0.858 177.328 176.600 -0.216 0.000 1.012 122 E CA 1.940 58.135 56.400 -0.342 0.000 0.812 122 E CB 0.117 29.598 29.700 -0.365 0.000 0.743 122 E HN 0.785 nan 8.360 nan 0.000 0.453 123 D N -0.937 119.350 120.400 -0.189 0.000 2.350 123 D HA -0.112 4.288 4.640 -0.399 0.000 0.216 123 D C 1.139 177.487 176.300 0.080 0.000 0.968 123 D CA 0.580 54.617 54.000 0.060 0.000 0.894 123 D CB -0.064 40.899 40.800 0.271 0.000 0.909 123 D HN 0.247 nan 8.370 nan 0.000 0.520 124 F N 0.582 120.536 119.950 0.006 0.000 2.717 124 F HA 0.177 4.465 4.527 -0.399 0.000 0.295 124 F C 1.968 177.670 175.800 -0.163 0.000 1.117 124 F CA -0.148 57.838 58.000 -0.023 0.000 1.361 124 F CB 0.374 39.420 39.000 0.076 0.000 1.112 124 F HN -0.274 nan 8.300 nan 0.000 0.594 125 R N 0.595 121.038 120.500 -0.094 0.000 2.127 125 R HA -0.128 3.972 4.340 -0.399 0.000 0.238 125 R C -0.786 175.393 176.300 -0.203 0.000 1.134 125 R CA 1.570 57.606 56.100 -0.106 0.000 0.975 125 R CB -1.833 28.447 30.300 -0.033 0.000 0.865 125 R HN 0.264 nan 8.270 nan 0.000 0.447 126 P HA -0.195 nan 4.420 nan 0.000 0.216 126 P C 0.548 177.679 177.300 -0.281 0.000 1.154 126 P CA 1.425 64.337 63.100 -0.313 0.000 0.865 126 P CB -0.084 31.341 31.700 -0.460 0.000 0.789 127 Y N -1.029 119.000 120.300 -0.452 0.000 2.571 127 Y HA -0.068 4.242 4.550 -0.399 0.000 0.294 127 Y C 2.173 177.944 175.900 -0.215 0.000 1.141 127 Y CA 1.287 59.028 58.100 -0.598 0.000 1.308 127 Y CB -2.012 35.879 38.460 -0.947 0.000 1.002 127 Y HN 0.094 nan 8.280 nan 0.000 0.551 128 T N -2.358 112.210 114.554 0.024 0.000 3.148 128 T HA 0.343 4.454 4.350 -0.399 0.000 0.253 128 T C 1.060 176.110 174.700 0.584 0.000 1.134 128 T CA 0.145 62.431 62.100 0.310 0.000 1.051 128 T CB -0.594 68.430 68.868 0.261 0.000 0.959 128 T HN 0.237 nan 8.240 nan 0.000 0.525 129 A N 1.957 124.993 122.820 0.360 0.000 2.587 129 A HA 0.467 4.548 4.320 -0.399 0.000 0.235 129 A C -0.010 177.816 177.584 0.403 0.000 1.044 129 A CA -0.219 51.994 52.037 0.293 0.000 0.754 129 A CB -0.736 18.365 19.000 0.168 0.000 0.968 129 A HN 0.762 nan 8.150 nan 0.000 0.509 130 F N -0.522 119.519 119.950 0.152 0.000 2.613 130 F HA 0.754 5.041 4.527 -0.399 0.000 0.310 130 F C -0.264 175.579 175.800 0.072 0.000 1.085 130 F CA -0.919 57.138 58.000 0.094 0.000 0.945 130 F CB 1.033 40.080 39.000 0.077 0.000 1.298 130 F HN 0.338 nan 8.300 nan 0.000 0.455 131 T N 3.392 118.008 114.554 0.103 0.000 2.895 131 T HA 0.639 4.749 4.350 -0.399 0.000 0.283 131 T C -0.650 174.097 174.700 0.079 0.000 1.014 131 T CA -0.559 61.535 62.100 -0.011 0.000 1.037 131 T CB 1.713 70.560 68.868 -0.034 0.000 1.006 131 T HN 0.735 nan 8.240 nan 0.000 0.468 143 R N 2.505 122.671 120.500 -0.557 0.000 2.460 143 R HA 0.448 4.549 4.340 -0.399 0.000 0.303 143 R C -1.117 174.712 176.300 -0.784 0.000 0.968 143 R CA -0.644 55.125 56.100 -0.551 0.000 0.889 143 R CB 1.051 31.161 30.300 -0.316 0.000 1.123 143 R HN 0.410 nan 8.270 nan 0.000 0.455 144 Y N 2.100 122.001 120.300 -0.665 0.000 2.602 144 Y HA 0.603 4.913 4.550 -0.399 0.000 0.342 144 Y C 0.335 175.958 175.900 -0.463 0.000 1.029 144 Y CA -1.186 56.547 58.100 -0.613 0.000 1.080 144 Y CB 1.745 39.733 38.460 -0.785 0.000 1.284 144 Y HN 0.436 nan 8.280 nan 0.000 0.485 145 I N -2.030 118.538 120.570 -0.004 0.000 2.865 145 I HA 0.550 4.480 4.170 -0.399 0.000 0.302 145 I C -1.801 174.407 176.117 0.151 0.000 1.140 145 I CA -1.271 60.106 61.300 0.129 0.000 1.021 145 I CB 2.234 40.269 38.000 0.058 0.000 1.233 145 I HN 0.426 nan 8.210 nan 0.000 0.427 146 Y N 2.564 122.980 120.300 0.193 0.000 2.304 146 Y HA 0.359 4.670 4.550 -0.399 0.000 0.327 146 Y C 1.131 177.064 175.900 0.055 0.000 1.209 146 Y CA 0.103 58.289 58.100 0.143 0.000 1.299 146 Y CB 1.481 40.019 38.460 0.129 0.000 1.249 146 Y HN 0.523 nan 8.280 nan 0.000 0.519 147 K N 1.555 122.083 120.400 0.213 0.000 2.391 147 K HA 0.183 4.263 4.320 -0.399 0.000 0.197 147 K C -0.366 176.318 176.600 0.141 0.000 1.087 147 K CA 0.331 56.688 56.287 0.117 0.000 1.012 147 K CB 0.653 33.183 32.500 0.050 0.000 0.925 147 K HN 0.463 nan 8.250 nan 0.000 0.547 148 V N -1.510 118.543 119.914 0.232 0.000 3.166 148 V HA 0.437 4.318 4.120 -0.399 0.000 0.317 148 V C 0.026 176.237 176.094 0.194 0.000 1.136 148 V CA -1.319 61.117 62.300 0.225 0.000 1.035 148 V CB 1.219 33.210 31.823 0.280 0.000 1.110 148 V HN -0.067 nan 8.190 nan 0.000 0.450 149 L N 2.241 123.551 121.223 0.145 0.000 2.534 149 L HA 0.282 4.382 4.340 -0.399 0.000 0.271 149 L C -2.230 174.610 176.870 -0.051 0.000 1.178 149 L CA -0.929 53.919 54.840 0.012 0.000 0.907 149 L CB 0.224 42.224 42.059 -0.099 0.000 1.164 149 L HN 0.498 nan 8.230 nan 0.000 0.482 150 P HA 0.102 nan 4.420 nan 0.000 0.280 150 P C -0.783 176.493 177.300 -0.040 0.000 1.244 150 P CA -0.603 62.160 63.100 -0.561 0.000 0.784 150 P CB 0.797 31.855 31.700 -1.071 0.000 0.913 151 Q N 2.321 122.225 119.800 0.173 0.000 2.311 151 Q HA 0.353 4.454 4.340 -0.399 0.000 0.272 151 Q C 1.267 177.427 176.000 0.267 0.000 1.012 151 Q CA 1.656 57.647 55.803 0.312 0.000 0.891 151 Q CB -0.540 28.319 28.738 0.201 0.000 1.201 151 Q HN 0.761 nan 8.270 nan 0.000 0.391 152 G N 2.742 111.686 108.800 0.240 0.000 2.195 152 G HA2 -0.288 3.432 3.960 -0.399 0.000 0.246 152 G HA3 -0.288 3.432 3.960 -0.399 0.000 0.246 152 G C -0.531 174.520 174.900 0.252 0.000 0.984 152 G CA 0.031 45.273 45.100 0.236 0.000 0.633 152 G HN 0.685 nan 8.290 nan 0.000 0.525 153 W N 2.150 123.411 121.300 -0.065 0.000 2.316 153 W HA 0.632 5.053 4.660 -0.398 0.000 0.321 153 W C 1.337 177.731 176.519 -0.208 0.000 1.203 153 W CA -0.538 56.676 57.345 -0.218 0.000 1.214 153 W CB 0.937 30.116 29.460 -0.469 0.000 1.169 153 W HN 0.095 nan 8.180 nan 0.000 0.561 154 K N 2.735 122.615 120.400 -0.866 0.000 2.059 154 K HA -0.197 3.883 4.320 -0.399 0.000 0.212 154 K C 1.764 177.541 176.600 -1.371 0.000 1.050 154 K CA 2.212 57.969 56.287 -0.882 0.000 0.927 154 K CB -0.691 31.451 32.500 -0.597 0.000 0.714 154 K HN 0.765 nan 8.250 nan 0.000 0.447 155 G N -0.560 106.713 108.800 -2.544 0.000 2.650 155 G HA2 -0.098 3.622 3.960 -0.399 0.000 0.214 155 G HA3 -0.098 3.622 3.960 -0.399 0.000 0.214 155 G C 1.284 175.377 174.900 -1.344 0.000 1.136 155 G CA 0.441 43.919 45.100 -2.703 0.000 0.789 155 G HN 0.288 nan 8.290 nan 0.000 0.536 156 S N 1.720 116.897 115.700 -0.870 0.000 2.365 156 S HA -0.104 4.127 4.470 -0.399 0.000 0.225 156 S C 0.323 174.589 174.600 -0.557 0.000 1.039 156 S CA 1.659 59.475 58.200 -0.639 0.000 1.033 156 S CB -0.739 61.956 63.200 -0.841 0.000 0.887 156 S HN 0.424 nan 8.310 nan 0.000 0.447 157 P HA 0.050 nan 4.420 nan 0.000 0.219 157 P C 1.280 178.534 177.300 -0.076 0.000 1.150 157 P CA 1.340 64.401 63.100 -0.065 0.000 0.814 157 P CB -0.088 31.589 31.700 -0.039 0.000 0.787 158 A N 0.258 122.921 122.820 -0.262 0.000 1.873 158 A HA -0.124 3.957 4.320 -0.399 0.000 0.215 158 A C 2.370 179.897 177.584 -0.095 0.000 1.186 158 A CA 1.340 53.265 52.037 -0.187 0.000 0.616 158 A CB -1.518 17.316 19.000 -0.277 0.000 0.823 158 A HN 0.104 nan 8.150 nan 0.000 0.442 159 I N -1.798 118.683 120.570 -0.150 0.000 2.202 159 I HA -0.193 3.737 4.170 -0.399 0.000 0.242 159 I C 2.367 178.534 176.117 0.082 0.000 1.091 159 I CA 1.495 62.786 61.300 -0.015 0.000 1.368 159 I CB -0.377 37.611 38.000 -0.020 0.000 1.058 159 I HN 0.451 nan 8.210 nan 0.000 0.410 160 F N 1.703 121.631 119.950 -0.037 0.000 2.095 160 F HA -0.283 4.004 4.527 -0.400 0.000 0.298 160 F C 2.603 178.428 175.800 0.041 0.000 1.104 160 F CA 1.871 59.910 58.000 0.065 0.000 1.232 160 F CB -0.539 38.552 39.000 0.152 0.000 0.987 160 F HN 0.015 nan 8.300 nan 0.000 0.475 161 Q N -1.113 118.555 119.800 -0.221 0.000 2.124 161 Q HA -0.299 3.801 4.340 -0.399 0.000 0.202 161 Q C 2.224 178.068 176.000 -0.259 0.000 0.977 161 Q CA 1.946 57.560 55.803 -0.316 0.000 0.850 161 Q CB -0.370 28.305 28.738 -0.106 0.000 0.901 161 Q HN 0.714 nan 8.270 nan 0.000 0.429 162 H N -0.891 118.060 119.070 -0.199 0.000 2.357 162 H HA -0.050 4.266 4.556 -0.400 0.000 0.301 162 H C 1.837 177.071 175.328 -0.157 0.000 1.082 162 H CA 2.115 58.081 56.048 -0.136 0.000 1.342 162 H CB -0.044 29.677 29.762 -0.068 0.000 1.389 162 H HN 0.115 nan 8.280 nan 0.000 0.511 163 T N 0.473 114.964 114.554 -0.105 0.000 2.746 163 T HA -0.183 3.927 4.350 -0.399 0.000 0.267 163 T C 1.959 176.464 174.700 -0.324 0.000 1.039 163 T CA 1.527 63.554 62.100 -0.123 0.000 1.142 163 T CB -0.301 68.599 68.868 0.053 0.000 0.866 163 T HN 0.246 nan 8.240 nan 0.000 0.444 164 M N 1.231 120.505 119.600 -0.543 0.000 2.159 164 M HA 0.046 4.286 4.480 -0.399 0.000 0.263 164 M C 2.143 178.211 176.300 -0.386 0.000 1.063 164 M CA 1.307 56.247 55.300 -0.600 0.000 1.110 164 M CB -0.469 31.629 32.600 -0.838 0.000 1.374 164 M HN 0.014 nan 8.290 nan 0.000 0.411 165 R N -0.429 119.865 120.500 -0.343 0.000 2.096 165 R HA -0.170 3.931 4.340 -0.399 0.000 0.235 165 R C 1.916 178.086 176.300 -0.217 0.000 1.127 165 R CA 1.831 57.782 56.100 -0.248 0.000 0.968 165 R CB -0.208 29.945 30.300 -0.244 0.000 0.861 165 R HN 0.581 nan 8.270 nan 0.000 0.440 166 Q N -0.395 119.248 119.800 -0.261 0.000 2.245 166 Q HA -0.049 4.052 4.340 -0.399 0.000 0.201 166 Q C 2.104 178.035 176.000 -0.115 0.000 0.955 166 Q CA 1.037 56.732 55.803 -0.181 0.000 0.870 166 Q CB 0.285 28.905 28.738 -0.196 0.000 0.945 166 Q HN 0.214 nan 8.270 nan 0.000 0.461 167 V N 1.115 120.937 119.914 -0.154 0.000 2.379 167 V HA -0.191 3.690 4.120 -0.399 0.000 0.245 167 V C 2.056 178.101 176.094 -0.082 0.000 1.044 167 V CA 1.367 63.594 62.300 -0.121 0.000 1.036 167 V CB -0.286 31.390 31.823 -0.245 0.000 0.664 167 V HN 0.307 nan 8.190 nan 0.000 0.453 168 L N -0.492 120.664 121.223 -0.111 0.000 2.341 168 L HA -0.016 4.084 4.340 -0.399 0.000 0.214 168 L C 2.582 179.482 176.870 0.050 0.000 1.115 168 L CA 0.763 55.580 54.840 -0.039 0.000 0.820 168 L CB -0.504 41.503 42.059 -0.087 0.000 0.944 168 L HN 0.330 nan 8.230 nan 0.000 0.452 169 E N 1.212 121.410 120.200 -0.003 0.000 2.038 169 E HA -0.213 3.897 4.350 -0.399 0.000 0.195 169 E C -0.399 176.221 176.600 0.034 0.000 1.000 169 E CA 1.763 58.167 56.400 0.007 0.000 0.803 169 E CB -0.933 28.749 29.700 -0.030 0.000 0.750 169 E HN 0.310 nan 8.360 nan 0.000 0.448 170 P HA -0.104 nan 4.420 nan 0.000 0.218 170 P C 1.313 178.649 177.300 0.059 0.000 1.149 170 P CA 0.916 64.040 63.100 0.039 0.000 0.817 170 P CB -0.276 31.449 31.700 0.041 0.000 0.785 171 F N 0.770 120.701 119.950 -0.032 0.000 2.146 171 F HA -0.121 4.166 4.527 -0.400 0.000 0.298 171 F C 2.123 177.905 175.800 -0.030 0.000 1.096 171 F CA 1.416 59.398 58.000 -0.030 0.000 1.275 171 F CB -0.237 38.743 39.000 -0.034 0.000 1.008 171 F HN -0.289 nan 8.300 nan 0.000 0.480 172 R N 0.194 120.770 120.500 0.127 0.000 2.092 172 R HA -0.097 4.004 4.340 -0.399 0.000 0.231 172 R C 1.885 178.139 176.300 -0.076 0.000 1.119 172 R CA 1.167 57.283 56.100 0.027 0.000 0.970 172 R CB -0.308 30.042 30.300 0.083 0.000 0.864 172 R HN 0.181 nan 8.270 nan 0.000 0.440 173 K N 0.114 120.479 120.400 -0.059 0.000 2.432 173 K HA 0.072 4.153 4.320 -0.399 0.000 0.196 173 K C 1.619 178.159 176.600 -0.100 0.000 1.038 173 K CA 0.712 56.961 56.287 -0.063 0.000 0.986 173 K CB 0.335 32.813 32.500 -0.035 0.000 0.782 173 K HN 0.142 nan 8.250 nan 0.000 0.485 174 A N 1.092 123.813 122.820 -0.164 0.000 2.030 174 A HA 0.011 4.092 4.320 -0.399 0.000 0.215 174 A C 0.415 177.856 177.584 -0.238 0.000 1.164 174 A CA 0.522 52.447 52.037 -0.188 0.000 0.697 174 A CB -0.061 18.809 19.000 -0.216 0.000 0.827 174 A HN 0.281 nan 8.150 nan 0.000 0.457 175 N N 0.050 118.556 118.700 -0.323 0.000 2.886 175 N HA 0.186 4.686 4.740 -0.399 0.000 0.285 175 N C 0.372 175.779 175.510 -0.171 0.000 1.706 175 N CA -0.370 52.507 53.050 -0.289 0.000 0.904 175 N CB 1.109 39.305 38.487 -0.485 0.000 1.224 175 N HN 0.054 nan 8.380 nan 0.000 0.488 176 K N 0.462 120.795 120.400 -0.112 0.000 2.362 176 K HA -0.173 3.908 4.320 -0.399 0.000 0.202 176 K C 0.848 177.420 176.600 -0.046 0.000 1.045 176 K CA 1.136 57.384 56.287 -0.066 0.000 0.936 176 K CB 0.043 32.513 32.500 -0.050 0.000 0.747 176 K HN 0.645 nan 8.250 nan 0.000 0.467 177 D N 0.098 120.467 120.400 -0.051 0.000 2.346 177 D HA -0.036 4.364 4.640 -0.399 0.000 0.206 177 D C 0.583 176.873 176.300 -0.017 0.000 1.001 177 D CA 0.007 53.989 54.000 -0.030 0.000 0.871 177 D CB 0.054 40.837 40.800 -0.028 0.000 0.943 177 D HN -0.179 nan 8.370 nan 0.000 0.518 178 V N 1.855 121.756 119.914 -0.021 0.000 2.546 178 V HA 0.190 4.071 4.120 -0.399 0.000 0.284 178 V C 0.668 176.778 176.094 0.026 0.000 1.050 178 V CA -0.604 61.705 62.300 0.015 0.000 0.981 178 V CB 1.745 33.589 31.823 0.034 0.000 0.990 178 V HN 0.045 nan 8.190 nan 0.000 0.474 179 I N 5.613 126.195 120.570 0.019 0.000 2.312 179 I HA 0.322 4.252 4.170 -0.399 0.000 0.291 179 I C -0.429 175.691 176.117 0.005 0.000 1.031 179 I CA -0.018 61.282 61.300 0.001 0.000 1.293 179 I CB 0.729 38.707 38.000 -0.036 0.000 1.403 179 I HN 0.351 nan 8.210 nan 0.000 0.484 180 I N 8.087 128.675 120.570 0.029 0.000 2.406 180 I HA 0.455 4.385 4.170 -0.399 0.000 0.290 180 I C -0.197 175.928 176.117 0.012 0.000 0.999 180 I CA -0.425 60.892 61.300 0.028 0.000 1.124 180 I CB 1.832 39.888 38.000 0.092 0.000 1.289 180 I HN 0.432 nan 8.210 nan 0.000 0.441 181 I N 6.229 126.798 120.570 -0.002 0.000 2.439 181 I HA 0.232 4.162 4.170 -0.399 0.000 0.285 181 I C -0.572 175.628 176.117 0.138 0.000 1.021 181 I CA -0.669 60.669 61.300 0.062 0.000 1.091 181 I CB 2.091 40.108 38.000 0.029 0.000 1.242 181 I HN 0.565 nan 8.210 nan 0.000 0.439 182 Q N 6.467 126.355 119.800 0.146 0.000 2.333 182 Q HA 0.547 4.647 4.340 -0.399 0.000 0.267 182 Q C -1.709 174.432 176.000 0.235 0.000 1.012 182 Q CA -0.728 55.168 55.803 0.155 0.000 0.824 182 Q CB 2.348 31.101 28.738 0.025 0.000 1.290 182 Q HN 0.548 nan 8.270 nan 0.000 0.449 183 Y N 4.740 125.113 120.300 0.122 0.000 2.331 183 Y HA 0.480 4.791 4.550 -0.398 0.000 0.326 183 Y C -0.082 175.862 175.900 0.074 0.000 1.020 183 Y CA -0.634 57.511 58.100 0.075 0.000 1.136 183 Y CB 1.083 39.564 38.460 0.035 0.000 1.157 183 Y HN 1.028 nan 8.280 nan 0.000 0.444 184 M N 1.333 120.783 119.600 -0.250 0.000 7.319 184 M HA -0.365 3.875 4.480 -0.399 0.000 0.235 184 M C -0.056 176.411 176.300 0.277 0.000 0.480 184 M CA 2.171 57.481 55.300 0.016 0.000 1.311 184 M CB -0.740 31.791 32.600 -0.116 0.000 0.421 184 M HN 0.775 nan 8.290 nan 0.000 0.637 185 D N 0.058 120.544 120.400 0.143 0.000 2.706 185 D HA 0.407 4.808 4.640 -0.399 0.000 0.236 185 D C -1.034 175.329 176.300 0.105 0.000 1.231 185 D CA -0.082 54.014 54.000 0.160 0.000 0.828 185 D CB -0.170 40.602 40.800 -0.047 0.000 1.015 185 D HN 0.321 nan 8.370 nan 0.000 0.484 186 D N 0.169 120.650 120.400 0.135 0.000 2.391 186 D HA 0.440 4.840 4.640 -0.399 0.000 0.245 186 D C -0.556 175.885 176.300 0.236 0.000 1.069 186 D CA -0.417 53.693 54.000 0.182 0.000 0.831 186 D CB 1.618 42.534 40.800 0.193 0.000 1.204 186 D HN 0.132 nan 8.370 nan 0.000 0.503 187 I N 2.831 123.506 120.570 0.175 0.000 2.436 187 I HA 0.345 4.275 4.170 -0.399 0.000 0.289 187 I C -0.886 175.249 176.117 0.031 0.000 1.010 187 I CA -0.927 60.433 61.300 0.100 0.000 1.098 187 I CB 1.861 39.861 38.000 -0.001 0.000 1.266 187 I HN 0.158 nan 8.210 nan 0.000 0.434 188 L N 7.545 128.738 121.223 -0.050 0.000 2.307 188 L HA 0.651 4.751 4.340 -0.399 0.000 0.284 188 L C -1.253 175.493 176.870 -0.207 0.000 1.023 188 L CA -0.520 54.156 54.840 -0.274 0.000 0.810 188 L CB 1.361 43.004 42.059 -0.692 0.000 1.231 188 L HN 0.500 nan 8.230 nan 0.000 0.423 189 I N 5.340 125.796 120.570 -0.192 0.000 2.406 189 I HA 0.702 4.633 4.170 -0.399 0.000 0.290 189 I C -0.265 175.826 176.117 -0.044 0.000 0.999 189 I CA -0.082 61.164 61.300 -0.091 0.000 1.124 189 I CB 1.889 39.844 38.000 -0.075 0.000 1.289 189 I HN 0.635 nan 8.210 nan 0.000 0.441 190 A N 4.501 127.311 122.820 -0.017 0.000 2.449 190 A HA 0.962 5.042 4.320 -0.399 0.000 0.302 190 A C -0.533 177.075 177.584 0.041 0.000 1.048 190 A CA -0.362 51.656 52.037 -0.032 0.000 0.708 190 A CB 1.723 20.617 19.000 -0.177 0.000 1.274 190 A HN 0.755 nan 8.150 nan 0.000 0.410 191 S N 0.213 115.939 115.700 0.043 0.000 2.611 191 S HA 0.587 4.817 4.470 -0.399 0.000 0.268 191 S C -1.235 173.357 174.600 -0.012 0.000 1.156 191 S CA -0.536 57.700 58.200 0.060 0.000 0.817 191 S CB 1.475 64.786 63.200 0.185 0.000 1.122 191 S HN 0.388 nan 8.310 nan 0.000 0.466 192 D N 0.484 120.881 120.400 -0.004 0.000 2.424 192 D HA 0.275 4.676 4.640 -0.399 0.000 0.220 192 D C 0.348 176.647 176.300 -0.001 0.000 1.150 192 D CA -0.121 53.864 54.000 -0.025 0.000 0.831 192 D CB 0.258 41.042 40.800 -0.027 0.000 0.981 192 D HN 0.364 nan 8.370 nan 0.000 0.500 193 R N 0.468 120.991 120.500 0.038 0.000 2.726 193 R HA 0.207 4.308 4.340 -0.399 0.000 0.272 193 R C 1.076 177.403 176.300 0.045 0.000 1.097 193 R CA -0.111 56.019 56.100 0.050 0.000 1.198 193 R CB 0.185 30.536 30.300 0.084 0.000 1.114 193 R HN 0.036 nan 8.270 nan 0.000 0.550 194 T N -1.702 112.878 114.554 0.044 0.000 2.795 194 T HA -0.034 4.076 4.350 -0.399 0.000 0.314 194 T C 0.776 175.516 174.700 0.066 0.000 1.069 194 T CA -0.648 61.475 62.100 0.038 0.000 1.071 194 T CB 0.506 69.394 68.868 0.033 0.000 0.988 194 T HN 0.455 nan 8.240 nan 0.000 0.543 195 D N 0.392 120.823 120.400 0.051 0.000 2.149 195 D HA -0.107 4.293 4.640 -0.399 0.000 0.198 195 D C 1.918 178.282 176.300 0.108 0.000 0.990 195 D CA 0.834 54.879 54.000 0.074 0.000 0.839 195 D CB -0.171 40.659 40.800 0.051 0.000 0.948 195 D HN 0.398 nan 8.370 nan 0.000 0.460 196 L N 1.387 122.656 121.223 0.076 0.000 2.005 196 L HA -0.146 3.955 4.340 -0.399 0.000 0.207 196 L C 2.175 179.090 176.870 0.074 0.000 1.072 196 L CA 1.688 56.568 54.840 0.067 0.000 0.744 196 L CB -0.369 41.717 42.059 0.045 0.000 0.895 196 L HN -0.189 nan 8.230 nan 0.000 0.433 197 E N -1.047 119.196 120.200 0.072 0.000 2.077 197 E HA -0.292 3.818 4.350 -0.399 0.000 0.193 197 E C 2.149 178.800 176.600 0.084 0.000 0.989 197 E CA 1.558 57.996 56.400 0.064 0.000 0.800 197 E CB -0.434 29.296 29.700 0.051 0.000 0.746 197 E HN 0.673 nan 8.360 nan 0.000 0.452 198 H N 1.522 120.610 119.070 0.030 0.000 2.293 198 H HA -0.104 4.213 4.556 -0.399 0.000 0.300 198 H C 1.564 176.931 175.328 0.065 0.000 1.082 198 H CA 2.170 58.241 56.048 0.038 0.000 1.308 198 H CB 0.050 29.825 29.762 0.022 0.000 1.375 198 H HN 0.034 nan 8.280 nan 0.000 0.495 199 D N -0.032 120.444 120.400 0.127 0.000 2.182 199 D HA -0.155 4.245 4.640 -0.399 0.000 0.201 199 D C 2.256 178.576 176.300 0.035 0.000 0.986 199 D CA 0.911 54.966 54.000 0.091 0.000 0.847 199 D CB -0.246 40.635 40.800 0.136 0.000 0.942 199 D HN 0.407 nan 8.370 nan 0.000 0.467 200 R N 0.551 121.071 120.500 0.034 0.000 2.092 200 R HA -0.060 4.040 4.340 -0.399 0.000 0.231 200 R C 2.234 178.552 176.300 0.029 0.000 1.119 200 R CA 0.549 56.666 56.100 0.029 0.000 0.970 200 R CB -0.196 30.122 30.300 0.030 0.000 0.864 200 R HN -0.011 nan 8.270 nan 0.000 0.440 201 V N 0.081 120.001 119.914 0.010 0.000 2.548 201 V HA -0.131 3.749 4.120 -0.399 0.000 0.249 201 V C 1.963 178.124 176.094 0.113 0.000 1.055 201 V CA 1.287 63.624 62.300 0.061 0.000 1.065 201 V CB 0.283 32.121 31.823 0.024 0.000 0.681 201 V HN 0.181 nan 8.190 nan 0.000 0.462 202 V N 0.104 120.006 119.914 -0.021 0.000 2.358 202 V HA -0.181 3.699 4.120 -0.399 0.000 0.246 202 V C 2.412 178.529 176.094 0.040 0.000 1.047 202 V CA 2.076 64.369 62.300 -0.012 0.000 1.035 202 V CB -0.511 31.309 31.823 -0.004 0.000 0.658 202 V HN 0.620 nan 8.190 nan 0.000 0.452 203 L N 0.425 121.673 121.223 0.042 0.000 2.083 203 L HA -0.198 3.902 4.340 -0.399 0.000 0.209 203 L C 2.430 179.326 176.870 0.044 0.000 1.083 203 L CA 2.355 57.210 54.840 0.026 0.000 0.752 203 L CB -0.941 41.126 42.059 0.015 0.000 0.899 203 L HN 0.466 nan 8.230 nan 0.000 0.433 204 Q N -0.786 119.067 119.800 0.087 0.000 2.084 204 Q HA -0.248 3.852 4.340 -0.399 0.000 0.202 204 Q C 2.241 178.327 176.000 0.145 0.000 0.978 204 Q CA 2.181 58.068 55.803 0.141 0.000 0.844 204 Q CB -0.329 28.532 28.738 0.204 0.000 0.898 204 Q HN 0.574 nan 8.270 nan 0.000 0.426 205 L N 1.005 122.263 121.223 0.057 0.000 2.027 205 L HA -0.140 3.960 4.340 -0.399 0.000 0.206 205 L C 1.962 178.745 176.870 -0.145 0.000 1.074 205 L CA 1.920 56.581 54.840 -0.298 0.000 0.745 205 L CB -0.305 41.361 42.059 -0.654 0.000 0.898 205 L HN 0.073 nan 8.230 nan 0.000 0.433 206 K N -0.417 119.951 120.400 -0.055 0.000 2.097 206 K HA -0.177 3.903 4.320 -0.399 0.000 0.206 206 K C 1.984 178.594 176.600 0.017 0.000 1.049 206 K CA 1.767 58.050 56.287 -0.005 0.000 0.933 206 K CB -0.204 32.303 32.500 0.011 0.000 0.717 206 K HN 0.490 nan 8.250 nan 0.000 0.442 207 E N 0.678 120.893 120.200 0.024 0.000 2.077 207 E HA -0.195 3.916 4.350 -0.399 0.000 0.193 207 E C 1.999 178.631 176.600 0.054 0.000 0.989 207 E CA 0.811 57.235 56.400 0.040 0.000 0.800 207 E CB -0.065 29.663 29.700 0.046 0.000 0.746 207 E HN 0.121 nan 8.360 nan 0.000 0.452 208 L N 1.102 122.357 121.223 0.052 0.000 1.994 208 L HA -0.167 3.934 4.340 -0.399 0.000 0.208 208 L C 2.080 178.994 176.870 0.073 0.000 1.071 208 L CA 1.561 56.439 54.840 0.064 0.000 0.745 208 L CB -0.480 41.618 42.059 0.065 0.000 0.892 208 L HN 0.084 nan 8.230 nan 0.000 0.431 209 L N -0.162 121.090 121.223 0.049 0.000 1.989 209 L HA -0.242 3.859 4.340 -0.399 0.000 0.211 209 L C 2.415 179.414 176.870 0.215 0.000 1.071 209 L CA 1.555 56.473 54.840 0.131 0.000 0.749 209 L CB -0.947 41.160 42.059 0.081 0.000 0.890 209 L HN 0.379 nan 8.230 nan 0.000 0.431 210 N N 0.372 119.152 118.700 0.134 0.000 2.149 210 N HA -0.155 4.345 4.740 -0.399 0.000 0.188 210 N C 1.792 177.360 175.510 0.095 0.000 1.019 210 N CA 1.631 54.746 53.050 0.109 0.000 0.857 210 N CB -0.644 37.883 38.487 0.066 0.000 0.997 210 N HN 0.426 nan 8.380 nan 0.000 0.426 211 G N 0.097 108.954 108.800 0.094 0.000 2.471 211 G HA2 -0.092 3.628 3.960 -0.399 0.000 0.219 211 G HA3 -0.092 3.628 3.960 -0.399 0.000 0.219 211 G C 1.130 176.089 174.900 0.099 0.000 1.125 211 G CA 0.206 45.355 45.100 0.081 0.000 0.775 211 G HN 0.153 nan 8.290 nan 0.000 0.548 212 L N 0.330 121.650 121.223 0.161 0.000 2.628 212 L HA 0.386 4.486 4.340 -0.399 0.000 0.229 212 L C 1.862 178.811 176.870 0.133 0.000 1.137 212 L CA 0.363 55.327 54.840 0.207 0.000 0.909 212 L CB 0.019 42.274 42.059 0.327 0.000 1.137 212 L HN 0.357 nan 8.230 nan 0.000 0.470 213 G N -1.251 107.579 108.800 0.051 0.000 2.157 213 G HA2 -0.290 3.430 3.960 -0.399 0.000 0.239 213 G HA3 -0.290 3.430 3.960 -0.399 0.000 0.239 213 G C 0.149 174.883 174.900 -0.277 0.000 0.982 213 G CA -0.331 44.691 45.100 -0.130 0.000 0.650 213 G HN 0.176 nan 8.290 nan 0.000 0.527 214 F N 2.707 122.707 119.950 0.083 0.000 2.385 214 F HA 0.594 4.882 4.527 -0.399 0.000 0.360 214 F C 1.148 176.990 175.800 0.070 0.000 1.122 214 F CA -0.337 57.720 58.000 0.095 0.000 1.090 214 F CB 1.553 40.617 39.000 0.106 0.000 1.150 214 F HN 0.241 nan 8.300 nan 0.000 0.472 215 S N 0.987 116.793 115.700 0.177 0.000 2.603 215 S HA 0.591 4.821 4.470 -0.399 0.000 0.268 215 S C 0.035 174.716 174.600 0.134 0.000 1.317 215 S CA -0.485 57.789 58.200 0.124 0.000 1.012 215 S CB 1.127 64.378 63.200 0.084 0.000 0.926 215 S HN 0.685 nan 8.310 nan 0.000 0.539 216 T N -1.125 113.489 114.554 0.099 0.000 3.198 216 T HA 0.467 4.577 4.350 -0.399 0.000 0.352 216 T C -3.124 171.627 174.700 0.085 0.000 1.197 216 T CA -1.490 60.672 62.100 0.103 0.000 1.427 216 T CB 0.256 69.188 68.868 0.107 0.000 0.983 216 T HN 0.427 nan 8.240 nan 0.000 0.560 217 P HA 0.078 nan 4.420 nan 0.000 0.263 217 P C 0.615 177.966 177.300 0.085 0.000 1.175 217 P CA 0.017 63.155 63.100 0.063 0.000 0.761 217 P CB 0.616 32.349 31.700 0.054 0.000 0.794 218 D N 2.518 122.945 120.400 0.044 0.000 2.219 218 D HA -0.153 4.247 4.640 -0.399 0.000 0.205 218 D C 1.506 177.874 176.300 0.115 0.000 0.970 218 D CA 1.210 55.229 54.000 0.032 0.000 0.851 218 D CB 0.044 40.826 40.800 -0.030 0.000 0.943 218 D HN 0.668 nan 8.370 nan 0.000 0.488 219 E N 1.217 121.469 120.200 0.086 0.000 2.208 219 E HA -0.097 4.013 4.350 -0.399 0.000 0.193 219 E C 1.403 178.062 176.600 0.098 0.000 0.988 219 E CA 0.694 57.142 56.400 0.081 0.000 0.828 219 E CB -0.179 29.549 29.700 0.048 0.000 0.763 219 E HN 0.103 nan 8.360 nan 0.000 0.478 220 K N 0.136 120.605 120.400 0.114 0.000 2.404 220 K HA 0.120 4.200 4.320 -0.399 0.000 0.194 220 K C -0.297 176.392 176.600 0.148 0.000 1.023 220 K CA -0.244 56.105 56.287 0.104 0.000 1.094 220 K CB 0.091 32.638 32.500 0.079 0.000 0.841 220 K HN 0.066 nan 8.250 nan 0.000 0.523 221 F N 2.048 122.015 119.950 0.029 0.000 2.394 221 F HA 0.147 4.435 4.527 -0.399 0.000 0.340 221 F C -0.400 175.425 175.800 0.042 0.000 1.105 221 F CA -0.350 57.673 58.000 0.038 0.000 1.124 221 F CB 0.910 39.927 39.000 0.029 0.000 1.145 221 F HN -0.146 nan 8.300 nan 0.000 0.505 222 Q N 6.561 126.040 119.800 -0.536 0.000 2.394 222 Q HA 0.208 4.308 4.340 -0.399 0.000 0.261 222 Q C 0.349 176.182 176.000 -0.279 0.000 1.023 222 Q CA -0.631 55.013 55.803 -0.264 0.000 0.720 222 Q CB 1.932 30.621 28.738 -0.082 0.000 1.241 222 Q HN 0.767 nan 8.270 nan 0.000 0.483 223 K N 0.893 121.250 120.400 -0.071 0.000 1.991 223 K HA -0.051 4.029 4.320 -0.399 0.000 0.207 223 K C -0.227 176.433 176.600 0.100 0.000 1.045 223 K CA 1.189 57.538 56.287 0.103 0.000 0.937 223 K CB 0.206 32.843 32.500 0.228 0.000 0.720 223 K HN 0.495 nan 8.250 nan 0.000 0.438 224 D N 0.553 120.882 120.400 -0.119 0.000 2.340 224 D HA 0.218 4.618 4.640 -0.399 0.000 0.243 224 D C -2.579 173.174 176.300 -0.912 0.000 0.988 224 D CA -1.849 51.968 54.000 -0.304 0.000 0.959 224 D CB 1.233 41.945 40.800 -0.147 0.000 1.226 224 D HN -0.056 nan 8.370 nan 0.000 0.509 225 P HA 0.205 nan 4.420 nan 0.000 0.274 225 P C -2.495 174.448 177.300 -0.595 0.000 1.237 225 P CA -1.127 61.439 63.100 -0.890 0.000 0.793 225 P CB -0.083 31.449 31.700 -0.280 0.000 0.977 226 P HA 0.206 nan 4.420 nan 0.000 0.278 226 P C -1.090 175.782 177.300 -0.713 0.000 1.238 226 P CA -0.084 62.416 63.100 -1.001 0.000 0.794 226 P CB 0.347 31.059 31.700 -1.646 0.000 0.955 227 Y N 0.204 120.350 120.300 -0.258 0.000 2.326 227 Y HA 0.233 4.543 4.550 -0.400 0.000 0.337 227 Y C 1.192 177.166 175.900 0.124 0.000 1.023 227 Y CA -0.149 57.885 58.100 -0.109 0.000 1.143 227 Y CB 0.558 38.972 38.460 -0.076 0.000 1.183 227 Y HN 0.367 nan 8.280 nan 0.000 0.485 228 H N 2.849 121.998 119.070 0.131 0.000 2.782 228 H HA 0.080 4.397 4.556 -0.399 0.000 0.285 228 H C -1.246 174.256 175.328 0.291 0.000 1.093 228 H CA -0.502 55.642 56.048 0.160 0.000 1.410 228 H CB 0.570 30.375 29.762 0.072 0.000 1.439 228 H HN 0.748 nan 8.280 nan 0.000 0.469 229 W N 6.218 127.654 121.300 0.227 0.000 2.631 229 W HA 0.235 4.654 4.660 -0.401 0.000 0.321 229 W C -0.758 175.882 176.519 0.202 0.000 1.004 229 W CA -1.226 56.223 57.345 0.173 0.000 1.291 229 W CB 0.540 30.090 29.460 0.149 0.000 1.300 229 W HN 0.685 nan 8.180 nan 0.000 0.422 230 M N 6.205 125.587 119.600 -0.363 0.000 2.249 230 M HA -0.243 3.997 4.480 -0.399 0.000 0.198 230 M C 1.346 177.556 176.300 -0.150 0.000 0.394 230 M CA 1.815 56.841 55.300 -0.456 0.000 0.427 230 M CB -1.541 30.551 32.600 -0.846 0.000 1.307 230 M HN 1.166 nan 8.290 nan 0.000 0.924 231 G N -1.951 106.810 108.800 -0.064 0.000 2.225 231 G HA2 -0.306 3.415 3.960 -0.399 0.000 0.254 231 G HA3 -0.306 3.415 3.960 -0.399 0.000 0.254 231 G C -0.235 174.620 174.900 -0.074 0.000 0.988 231 G CA 0.425 45.544 45.100 0.032 0.000 0.625 231 G HN 0.587 nan 8.290 nan 0.000 0.527 232 Y N 0.531 120.918 120.300 0.144 0.000 2.453 232 Y HA 0.666 4.975 4.550 -0.401 0.000 0.326 232 Y C 0.683 176.740 175.900 0.261 0.000 1.186 232 Y CA -0.848 57.390 58.100 0.230 0.000 1.200 232 Y CB 1.257 39.890 38.460 0.290 0.000 1.247 232 Y HN 0.113 nan 8.280 nan 0.000 0.482 233 E N 2.382 122.872 120.200 0.482 0.000 2.182 233 E HA 0.384 4.494 4.350 -0.399 0.000 0.258 233 E C -1.514 175.270 176.600 0.308 0.000 0.879 233 E CA -0.423 56.165 56.400 0.313 0.000 0.754 233 E CB 0.872 30.732 29.700 0.266 0.000 1.162 233 E HN 0.469 nan 8.360 nan 0.000 0.419 234 L N 4.225 125.599 121.223 0.252 0.000 2.268 234 L HA 0.391 4.491 4.340 -0.399 0.000 0.289 234 L C -0.418 176.554 176.870 0.171 0.000 1.064 234 L CA -0.637 54.420 54.840 0.361 0.000 0.824 234 L CB 0.064 42.347 42.059 0.374 0.000 1.202 234 L HN 0.405 nan 8.230 nan 0.000 0.433 235 W N 4.249 125.802 121.300 0.422 0.000 2.298 235 W HA 0.349 4.768 4.660 -0.401 0.000 0.358 235 W C -1.040 175.705 176.519 0.376 0.000 1.241 235 W CA -1.248 56.288 57.345 0.318 0.000 1.385 235 W CB -0.012 29.583 29.460 0.224 0.000 1.225 235 W HN 0.298 nan 8.180 nan 0.000 0.654 236 P HA -0.145 nan 4.420 nan 0.000 0.223 236 P C 1.142 178.673 177.300 0.385 0.000 1.151 236 P CA 2.103 65.399 63.100 0.327 0.000 0.787 236 P CB 0.223 32.066 31.700 0.237 0.000 0.788 237 T N -2.062 112.771 114.554 0.464 0.000 3.034 237 T HA 0.108 4.219 4.350 -0.399 0.000 0.248 237 T C 0.662 175.673 174.700 0.519 0.000 1.040 237 T CA 0.265 62.615 62.100 0.417 0.000 1.107 237 T CB -0.008 69.009 68.868 0.248 0.000 0.932 237 T HN 0.261 nan 8.240 nan 0.000 0.474 238 K N -0.008 120.669 120.400 0.463 0.000 2.533 238 K HA 0.507 4.588 4.320 -0.399 0.000 0.272 238 K C -1.023 175.667 176.600 0.150 0.000 0.985 238 K CA -1.277 55.066 56.287 0.093 0.000 0.876 238 K CB 0.954 33.413 32.500 -0.068 0.000 1.452 238 K HN 0.330 nan 8.250 nan 0.000 0.439 239 W N 0.445 121.677 121.300 -0.113 0.000 2.671 239 W HA 0.721 5.139 4.660 -0.404 0.000 0.360 239 W C -1.150 175.480 176.519 0.185 0.000 1.128 239 W CA -0.954 56.443 57.345 0.087 0.000 1.184 239 W CB 1.098 30.484 29.460 -0.123 0.000 1.415 239 W HN 0.661 nan 8.180 nan 0.000 0.604 240 K N 1.852 122.625 120.400 0.623 0.000 2.565 240 K HA 0.367 4.447 4.320 -0.399 0.000 0.251 240 K C -2.141 174.824 176.600 0.610 0.000 0.956 240 K CA -0.781 55.771 56.287 0.441 0.000 0.809 240 K CB 2.398 35.102 32.500 0.339 0.000 1.267 240 K HN 0.468 nan 8.250 nan 0.000 0.438 241 L N 4.472 126.014 121.223 0.532 0.000 2.261 241 L HA 0.288 4.388 4.340 -0.399 0.000 0.289 241 L C -0.253 176.715 176.870 0.163 0.000 1.059 241 L CA 0.173 55.173 54.840 0.265 0.000 0.816 241 L CB 1.001 43.153 42.059 0.154 0.000 1.191 241 L HN 0.600 nan 8.230 nan 0.000 0.431 242 Q N 3.792 123.659 119.800 0.112 0.000 2.454 242 Q HA 0.113 4.213 4.340 -0.399 0.000 0.247 242 Q C -0.318 175.734 176.000 0.087 0.000 1.028 242 Q CA 0.064 55.925 55.803 0.097 0.000 0.910 242 Q CB 0.498 29.273 28.738 0.063 0.000 1.276 242 Q HN 0.524 nan 8.270 nan 0.000 0.489 243 K N 1.416 121.859 120.400 0.072 0.000 2.412 243 K HA 0.113 4.194 4.320 -0.399 0.000 0.281 243 K C -0.237 176.390 176.600 0.044 0.000 1.027 243 K CA -0.205 56.111 56.287 0.049 0.000 0.989 243 K CB 0.232 32.747 32.500 0.025 0.000 0.935 243 K HN 0.304 nan 8.250 nan 0.000 0.475 244 I N 3.511 124.097 120.570 0.027 0.000 2.337 244 I HA 0.007 3.937 4.170 -0.399 0.000 0.291 244 I C 0.552 176.691 176.117 0.037 0.000 1.046 244 I CA 0.343 61.677 61.300 0.057 0.000 1.324 244 I CB 0.731 38.749 38.000 0.030 0.000 1.409 244 I HN 0.350 nan 8.210 nan 0.000 0.494 245 Q N 6.074 125.910 119.800 0.059 0.000 2.256 245 Q HA 0.546 4.646 4.340 -0.399 0.000 0.254 245 Q C -0.988 175.056 176.000 0.073 0.000 0.916 245 Q CA -0.550 55.282 55.803 0.049 0.000 0.932 245 Q CB 1.607 30.370 28.738 0.042 0.000 1.207 245 Q HN 0.524 nan 8.270 nan 0.000 0.426 246 L N 4.338 125.605 121.223 0.074 0.000 2.317 246 L HA 0.469 4.569 4.340 -0.399 0.000 0.281 246 L C -2.044 174.918 176.870 0.153 0.000 1.024 246 L CA -2.302 52.608 54.840 0.117 0.000 0.810 246 L CB 1.056 43.178 42.059 0.104 0.000 1.240 246 L HN 0.396 nan 8.230 nan 0.000 0.427 247 P HA -0.073 nan 4.420 nan 0.000 0.264 247 P C -0.851 176.625 177.300 0.294 0.000 1.179 247 P CA 0.160 63.371 63.100 0.184 0.000 0.763 247 P CB 0.339 32.145 31.700 0.175 0.000 0.806 248 Q N 2.080 121.963 119.800 0.139 0.000 3.122 248 Q HA 0.166 4.266 4.340 -0.399 0.000 0.282 248 Q C -0.614 175.398 176.000 0.020 0.000 0.947 248 Q CA -0.442 55.480 55.803 0.199 0.000 0.812 248 Q CB 0.250 29.056 28.738 0.113 0.000 1.333 248 Q HN 0.332 nan 8.270 nan 0.000 0.430 249 K N 0.874 121.120 120.400 -0.258 0.000 2.138 249 K HA 0.010 4.091 4.320 -0.399 0.000 0.251 249 K C 1.125 177.572 176.600 -0.255 0.000 1.015 249 K CA -0.288 55.686 56.287 -0.521 0.000 0.917 249 K CB 0.827 32.614 32.500 -1.190 0.000 1.021 249 K HN 0.416 nan 8.250 nan 0.000 0.485 250 E N 1.827 121.910 120.200 -0.196 0.000 2.014 250 E HA -0.079 4.031 4.350 -0.399 0.000 0.190 250 E C 0.565 177.181 176.600 0.027 0.000 0.980 250 E CA 1.333 57.705 56.400 -0.047 0.000 0.807 250 E CB -0.203 29.469 29.700 -0.047 0.000 0.770 250 E HN 0.471 nan 8.360 nan 0.000 0.451 251 I N 0.567 121.111 120.570 -0.043 0.000 2.389 251 I HA 0.252 4.182 4.170 -0.399 0.000 0.288 251 I C -0.960 175.156 176.117 -0.002 0.000 0.999 251 I CA -0.897 60.450 61.300 0.078 0.000 1.129 251 I CB 1.086 39.114 38.000 0.045 0.000 1.288 251 I HN -0.020 nan 8.210 nan 0.000 0.444 252 W N 5.574 126.975 121.300 0.169 0.000 2.332 252 W HA 0.372 4.793 4.660 -0.399 0.000 0.306 252 W C 0.927 177.432 176.519 -0.023 0.000 1.149 252 W CA -0.378 57.034 57.345 0.111 0.000 1.271 252 W CB 1.348 30.949 29.460 0.234 0.000 1.243 252 W HN 0.436 nan 8.180 nan 0.000 0.459 253 T N -1.261 113.360 114.554 0.112 0.000 2.847 253 T HA 0.210 4.320 4.350 -0.399 0.000 0.279 253 T C 0.980 175.685 174.700 0.008 0.000 0.984 253 T CA -0.766 61.338 62.100 0.007 0.000 0.988 253 T CB 1.216 70.044 68.868 -0.066 0.000 1.040 253 T HN 0.181 nan 8.240 nan 0.000 0.528 254 V N 1.665 121.541 119.914 -0.064 0.000 2.332 254 V HA -0.161 3.719 4.120 -0.399 0.000 0.248 254 V C 2.877 178.950 176.094 -0.036 0.000 1.055 254 V CA 2.390 64.650 62.300 -0.066 0.000 1.038 254 V CB -1.354 30.412 31.823 -0.096 0.000 0.651 254 V HN 0.990 nan 8.190 nan 0.000 0.450 255 N N 0.381 119.042 118.700 -0.065 0.000 2.166 255 N HA -0.190 4.311 4.740 -0.399 0.000 0.186 255 N C 1.496 177.021 175.510 0.026 0.000 1.019 255 N CA 1.667 54.693 53.050 -0.040 0.000 0.856 255 N CB -0.238 38.197 38.487 -0.087 0.000 0.993 255 N HN 0.464 nan 8.380 nan 0.000 0.426 256 D N 0.018 120.457 120.400 0.065 0.000 2.117 256 D HA -0.101 4.299 4.640 -0.399 0.000 0.197 256 D C 1.828 178.321 176.300 0.321 0.000 0.987 256 D CA 0.655 54.759 54.000 0.173 0.000 0.829 256 D CB -0.085 40.816 40.800 0.169 0.000 0.961 256 D HN 0.325 nan 8.370 nan 0.000 0.460 257 I N 1.068 121.787 120.570 0.248 0.000 2.394 257 I HA -0.194 3.737 4.170 -0.399 0.000 0.251 257 I C 2.337 178.499 176.117 0.075 0.000 1.136 257 I CA 0.971 62.346 61.300 0.123 0.000 1.425 257 I CB -0.794 37.179 38.000 -0.046 0.000 1.079 257 I HN 0.078 nan 8.210 nan 0.000 0.425 258 Q N 0.818 120.654 119.800 0.059 0.000 2.020 258 Q HA -0.200 3.901 4.340 -0.399 0.000 0.202 258 Q C 2.258 178.296 176.000 0.063 0.000 0.982 258 Q CA 1.613 57.442 55.803 0.043 0.000 0.838 258 Q CB -0.009 28.746 28.738 0.029 0.000 0.899 258 Q HN 0.467 nan 8.270 nan 0.000 0.423 259 K N 0.340 120.787 120.400 0.079 0.000 2.097 259 K HA -0.174 3.906 4.320 -0.399 0.000 0.206 259 K C 2.130 178.797 176.600 0.112 0.000 1.049 259 K CA 1.026 57.361 56.287 0.080 0.000 0.933 259 K CB -0.282 32.260 32.500 0.069 0.000 0.717 259 K HN 0.112 nan 8.250 nan 0.000 0.442 260 L N 1.225 122.545 121.223 0.162 0.000 2.012 260 L HA -0.163 3.937 4.340 -0.399 0.000 0.210 260 L C 2.002 178.939 176.870 0.112 0.000 1.073 260 L CA 1.578 56.523 54.840 0.175 0.000 0.748 260 L CB -0.376 41.811 42.059 0.213 0.000 0.891 260 L HN -0.115 nan 8.230 nan 0.000 0.431 261 V N 0.477 120.439 119.914 0.079 0.000 2.626 261 V HA -0.151 3.729 4.120 -0.399 0.000 0.252 261 V C 2.616 178.755 176.094 0.076 0.000 1.067 261 V CA 1.479 63.814 62.300 0.057 0.000 1.081 261 V CB -1.629 30.211 31.823 0.029 0.000 0.686 261 V HN 0.665 nan 8.190 nan 0.000 0.468 262 G N 0.140 108.990 108.800 0.083 0.000 2.404 262 G HA2 -0.189 3.531 3.960 -0.399 0.000 0.215 262 G HA3 -0.189 3.531 3.960 -0.399 0.000 0.215 262 G C 1.650 176.636 174.900 0.144 0.000 1.174 262 G CA 1.200 46.353 45.100 0.089 0.000 0.780 262 G HN 0.380 nan 8.290 nan 0.000 0.537 263 V N 1.186 121.197 119.914 0.161 0.000 2.343 263 V HA -0.143 3.738 4.120 -0.399 0.000 0.247 263 V C 2.916 179.180 176.094 0.285 0.000 1.051 263 V CA 1.471 63.932 62.300 0.269 0.000 1.036 263 V CB -0.507 31.455 31.823 0.231 0.000 0.654 263 V HN 0.336 nan 8.190 nan 0.000 0.451 264 L N 0.190 121.509 121.223 0.160 0.000 2.131 264 L HA -0.160 3.941 4.340 -0.399 0.000 0.210 264 L C 2.460 179.380 176.870 0.084 0.000 1.092 264 L CA 1.239 56.133 54.840 0.091 0.000 0.759 264 L CB -0.759 41.333 42.059 0.056 0.000 0.903 264 L HN 0.401 nan 8.230 nan 0.000 0.435 265 N N -0.467 118.306 118.700 0.122 0.000 2.120 265 N HA -0.226 4.274 4.740 -0.399 0.000 0.188 265 N C 1.487 177.091 175.510 0.157 0.000 1.024 265 N CA 1.429 54.547 53.050 0.114 0.000 0.852 265 N CB -0.325 38.230 38.487 0.113 0.000 1.003 265 N HN 0.480 nan 8.380 nan 0.000 0.424 266 W N 2.070 123.386 121.300 0.027 0.000 2.413 266 W HA 0.070 4.492 4.660 -0.397 0.000 0.315 266 W C 2.304 178.827 176.519 0.006 0.000 1.186 266 W CA 1.920 59.276 57.345 0.019 0.000 1.326 266 W CB -0.835 28.632 29.460 0.012 0.000 1.153 266 W HN 0.033 nan 8.180 nan 0.000 0.489 267 A N 1.171 123.742 122.820 -0.416 0.000 1.986 267 A HA -0.105 3.975 4.320 -0.399 0.000 0.220 267 A C 2.091 179.503 177.584 -0.287 0.000 1.171 267 A CA 2.584 54.237 52.037 -0.641 0.000 0.640 267 A CB -1.576 17.235 19.000 -0.314 0.000 0.811 267 A HN 0.605 nan 8.150 nan 0.000 0.451 268 A N -1.202 121.537 122.820 -0.134 0.000 2.216 268 A HA -0.055 4.025 4.320 -0.399 0.000 0.214 268 A C 1.902 179.447 177.584 -0.065 0.000 1.160 268 A CA 1.205 53.211 52.037 -0.052 0.000 0.725 268 A CB -0.345 18.647 19.000 -0.013 0.000 0.784 268 A HN 0.704 nan 8.150 nan 0.000 0.472 269 Q N -0.938 118.780 119.800 -0.138 0.000 2.402 269 Q HA 0.228 4.328 4.340 -0.399 0.000 0.206 269 Q C 1.360 177.257 176.000 -0.171 0.000 0.919 269 Q CA 0.386 56.119 55.803 -0.117 0.000 0.923 269 Q CB 0.116 28.798 28.738 -0.093 0.000 1.048 269 Q HN 0.674 nan 8.270 nan 0.000 0.515 270 L N -1.043 120.009 121.223 -0.285 0.000 2.513 270 L HA 0.185 4.286 4.340 -0.399 0.000 0.222 270 L C -0.204 176.378 176.870 -0.481 0.000 1.096 270 L CA 0.304 54.904 54.840 -0.399 0.000 0.857 270 L CB 0.369 42.065 42.059 -0.604 0.000 1.026 270 L HN 0.083 nan 8.230 nan 0.000 0.469 271 Y N -0.386 119.831 120.300 -0.138 0.000 2.544 271 Y HA 0.441 4.751 4.550 -0.399 0.000 0.342 271 Y C -2.416 173.451 175.900 -0.055 0.000 1.062 271 Y CA -2.177 55.875 58.100 -0.080 0.000 1.023 271 Y CB 1.835 40.235 38.460 -0.100 0.000 1.308 271 Y HN -0.242 nan 8.280 nan 0.000 0.457 272 P HA 0.345 nan 4.420 nan 0.000 0.281 272 P C 0.389 177.725 177.300 0.060 0.000 1.264 272 P CA 0.217 63.367 63.100 0.083 0.000 0.824 272 P CB 1.742 33.488 31.700 0.077 0.000 1.092 273 G N 0.574 109.393 108.800 0.032 0.000 2.176 273 G HA2 -0.184 3.536 3.960 -0.399 0.000 0.253 273 G HA3 -0.184 3.536 3.960 -0.399 0.000 0.253 273 G C 0.164 175.067 174.900 0.005 0.000 0.979 273 G CA -0.371 44.737 45.100 0.014 0.000 0.641 273 G HN 0.475 nan 8.290 nan 0.000 0.530 274 I N 1.447 122.021 120.570 0.008 0.000 2.436 274 I HA 0.298 4.228 4.170 -0.399 0.000 0.289 274 I C 0.190 176.312 176.117 0.008 0.000 1.083 274 I CA -0.016 61.282 61.300 -0.002 0.000 1.372 274 I CB 0.926 38.922 38.000 -0.006 0.000 1.408 274 I HN -0.034 nan 8.210 nan 0.000 0.516 275 K N 4.644 125.051 120.400 0.013 0.000 2.259 275 K HA 0.472 4.552 4.320 -0.399 0.000 0.252 275 K C 0.733 177.349 176.600 0.026 0.000 0.936 275 K CA -0.428 55.875 56.287 0.027 0.000 0.810 275 K CB 2.025 34.557 32.500 0.053 0.000 1.143 275 K HN 0.654 nan 8.250 nan 0.000 0.427 276 T N -2.593 111.970 114.554 0.015 0.000 3.111 276 T HA 0.159 4.269 4.350 -0.399 0.000 0.284 276 T C 1.095 175.782 174.700 -0.022 0.000 0.983 276 T CA -0.222 61.881 62.100 0.005 0.000 0.900 276 T CB 0.396 69.266 68.868 0.004 0.000 1.132 276 T HN 0.374 nan 8.240 nan 0.000 0.531 277 K N 1.316 121.685 120.400 -0.052 0.000 1.965 277 K HA -0.158 3.922 4.320 -0.399 0.000 0.218 277 K C 1.909 178.378 176.600 -0.218 0.000 1.048 277 K CA 1.936 58.116 56.287 -0.178 0.000 0.960 277 K CB -0.426 31.875 32.500 -0.330 0.000 0.732 277 K HN 0.522 nan 8.250 nan 0.000 0.444 278 H N 0.512 119.572 119.070 -0.016 0.000 2.518 278 H HA -0.092 4.224 4.556 -0.400 0.000 0.289 278 H C 2.172 177.473 175.328 -0.044 0.000 1.051 278 H CA 0.880 56.916 56.048 -0.020 0.000 1.280 278 H CB -0.017 29.745 29.762 -0.001 0.000 1.380 278 H HN 0.221 nan 8.280 nan 0.000 0.566 279 L N -0.574 120.671 121.223 0.037 0.000 2.179 279 L HA -0.124 3.976 4.340 -0.399 0.000 0.208 279 L C 2.553 179.364 176.870 -0.098 0.000 1.096 279 L CA 0.492 55.306 54.840 -0.044 0.000 0.779 279 L CB -0.073 41.970 42.059 -0.025 0.000 0.922 279 L HN 0.279 nan 8.230 nan 0.000 0.443 280 C N -0.463 118.793 119.300 -0.073 0.000 2.475 280 C HA -0.052 4.169 4.460 -0.399 0.000 0.279 280 C C 2.693 177.634 174.990 -0.081 0.000 1.322 280 C CA 0.181 59.155 59.018 -0.074 0.000 1.734 280 C CB -0.735 26.971 27.740 -0.057 0.000 2.005 280 C HN 0.402 nan 8.230 nan 0.000 0.495 281 R N 0.718 121.170 120.500 -0.081 0.000 2.355 281 R HA -0.065 4.035 4.340 -0.399 0.000 0.219 281 R C 1.675 177.927 176.300 -0.079 0.000 1.107 281 R CA 0.829 56.888 56.100 -0.068 0.000 1.021 281 R CB -0.308 29.959 30.300 -0.054 0.000 0.852 281 R HN 0.591 nan 8.270 nan 0.000 0.475 282 L N 0.725 121.873 121.223 -0.125 0.000 2.179 282 L HA 0.018 4.119 4.340 -0.399 0.000 0.208 282 L C 1.451 178.225 176.870 -0.160 0.000 1.096 282 L CA 0.688 55.413 54.840 -0.190 0.000 0.779 282 L CB -0.075 41.767 42.059 -0.360 0.000 0.922 282 L HN 0.196 nan 8.230 nan 0.000 0.443 283 I N -3.573 116.924 120.570 -0.123 0.000 2.517 283 I HA 0.226 4.156 4.170 -0.399 0.000 0.289 283 I C 0.054 176.140 176.117 -0.051 0.000 1.149 283 I CA -0.245 61.003 61.300 -0.086 0.000 1.189 283 I CB 0.405 38.361 38.000 -0.073 0.000 1.641 283 I HN -0.147 nan 8.210 nan 0.000 0.560 284 S N 4.302 119.974 115.700 -0.046 0.000 4.051 284 S HA 0.393 4.623 4.470 -0.399 0.000 0.215 284 S C 1.242 175.840 174.600 -0.004 0.000 1.289 284 S CA 0.624 58.809 58.200 -0.024 0.000 0.907 284 S CB -0.661 62.526 63.200 -0.022 0.000 1.603 284 S HN 1.058 nan 8.310 nan 0.000 0.453 285 G N 2.990 111.793 108.800 0.004 0.000 2.566 285 G HA2 -0.309 3.411 3.960 -0.399 0.000 0.280 285 G HA3 -0.309 3.411 3.960 -0.399 0.000 0.280 285 G C -0.463 174.461 174.900 0.040 0.000 1.225 285 G CA -0.490 44.627 45.100 0.027 0.000 0.966 285 G HN 0.586 nan 8.290 nan 0.000 0.560 286 K N 0.556 120.995 120.400 0.065 0.000 2.264 286 K HA 0.172 4.252 4.320 -0.399 0.000 0.262 286 K C 0.316 176.965 176.600 0.081 0.000 1.247 286 K CA 1.015 57.360 56.287 0.097 0.000 1.248 286 K CB -0.514 32.051 32.500 0.109 0.000 0.825 286 K HN 0.415 nan 8.250 nan 0.000 0.468 287 M N 0.724 120.366 119.600 0.069 0.000 2.471 287 M HA 0.112 4.352 4.480 -0.399 0.000 0.284 287 M C -0.439 175.859 176.300 -0.002 0.000 1.203 287 M CA -0.677 54.631 55.300 0.014 0.000 0.915 287 M CB 2.537 35.121 32.600 -0.027 0.000 1.734 287 M HN 0.210 nan 8.290 nan 0.000 0.485 288 T N 1.709 116.200 114.554 -0.105 0.000 2.932 288 T HA 0.076 4.187 4.350 -0.399 0.000 0.312 288 T C 0.973 175.526 174.700 -0.245 0.000 1.071 288 T CA -0.186 61.803 62.100 -0.185 0.000 1.128 288 T CB 0.541 69.149 68.868 -0.433 0.000 0.984 288 T HN 0.490 nan 8.240 nan 0.000 0.549 289 L N 3.291 124.259 121.223 -0.425 0.000 2.450 289 L HA -0.029 4.071 4.340 -0.399 0.000 0.224 289 L C 2.484 179.037 176.870 -0.528 0.000 1.149 289 L CA 1.772 56.294 54.840 -0.529 0.000 0.816 289 L CB -0.762 40.825 42.059 -0.786 0.000 0.932 289 L HN 0.962 nan 8.230 nan 0.000 0.449 290 T N -4.964 109.260 114.554 -0.551 0.000 3.014 290 T HA 0.044 4.155 4.350 -0.399 0.000 0.250 290 T C 0.888 175.466 174.700 -0.202 0.000 1.060 290 T CA -0.386 61.514 62.100 -0.333 0.000 1.040 290 T CB -0.280 68.433 68.868 -0.259 0.000 0.971 290 T HN 0.307 nan 8.240 nan 0.000 0.497 291 E N 2.005 122.081 120.200 -0.206 0.000 2.608 291 E HA -0.038 4.073 4.350 -0.399 0.000 0.259 291 E C -0.513 176.029 176.600 -0.096 0.000 0.951 291 E CA 0.127 56.441 56.400 -0.144 0.000 0.945 291 E CB 0.362 29.977 29.700 -0.142 0.000 0.916 291 E HN 0.493 nan 8.360 nan 0.000 0.477 292 E N 2.511 122.674 120.200 -0.062 0.000 2.384 292 E HA 0.054 4.164 4.350 -0.399 0.000 0.266 292 E C -0.401 176.173 176.600 -0.044 0.000 1.012 292 E CA -0.428 55.959 56.400 -0.021 0.000 0.901 292 E CB 1.139 30.846 29.700 0.011 0.000 0.967 292 E HN 0.267 nan 8.360 nan 0.000 0.435 293 V N 2.951 122.825 119.914 -0.067 0.000 2.881 293 V HA -0.010 3.870 4.120 -0.399 0.000 0.303 293 V C 0.393 176.375 176.094 -0.187 0.000 1.070 293 V CA -0.234 61.949 62.300 -0.194 0.000 1.074 293 V CB 1.222 32.806 31.823 -0.398 0.000 1.012 293 V HN 0.683 nan 8.190 nan 0.000 0.482 294 Q N 2.447 122.132 119.800 -0.192 0.000 2.465 294 Q HA 0.181 4.281 4.340 -0.399 0.000 0.237 294 Q C -1.147 174.792 176.000 -0.101 0.000 1.051 294 Q CA -0.539 55.216 55.803 -0.080 0.000 0.874 294 Q CB 0.401 29.116 28.738 -0.038 0.000 1.207 294 Q HN 0.740 nan 8.270 nan 0.000 0.508 295 W N 2.532 123.828 121.300 -0.007 0.000 2.347 295 W HA 0.013 4.433 4.660 -0.400 0.000 0.333 295 W C 0.838 177.340 176.519 -0.029 0.000 1.383 295 W CA 0.385 57.710 57.345 -0.033 0.000 1.283 295 W CB 0.845 30.283 29.460 -0.037 0.000 1.253 295 W HN 0.372 nan 8.180 nan 0.000 0.563 296 T N 2.284 116.998 114.554 0.268 0.000 2.943 296 T HA 0.048 4.158 4.350 -0.399 0.000 0.284 296 T C 1.104 175.897 174.700 0.155 0.000 1.015 296 T CA -0.536 61.656 62.100 0.152 0.000 1.042 296 T CB 1.436 70.357 68.868 0.089 0.000 1.055 296 T HN 0.615 nan 8.240 nan 0.000 0.500 297 E N 2.069 122.310 120.200 0.068 0.000 2.072 297 E HA -0.058 4.052 4.350 -0.399 0.000 0.191 297 E C 1.799 178.387 176.600 -0.019 0.000 0.985 297 E CA 1.099 57.510 56.400 0.017 0.000 0.801 297 E CB -0.026 29.669 29.700 -0.008 0.000 0.750 297 E HN 0.603 nan 8.360 nan 0.000 0.452 298 L N 0.101 121.291 121.223 -0.056 0.000 2.217 298 L HA -0.041 4.059 4.340 -0.399 0.000 0.211 298 L C 2.558 179.376 176.870 -0.086 0.000 1.107 298 L CA 0.723 55.448 54.840 -0.192 0.000 0.783 298 L CB -0.394 41.387 42.059 -0.464 0.000 0.919 298 L HN 0.223 nan 8.230 nan 0.000 0.442 299 A N 0.061 122.931 122.820 0.084 0.000 1.897 299 A HA -0.210 3.871 4.320 -0.399 0.000 0.215 299 A C 2.163 179.878 177.584 0.219 0.000 1.181 299 A CA 1.472 53.630 52.037 0.202 0.000 0.620 299 A CB -0.337 18.804 19.000 0.236 0.000 0.821 299 A HN 0.306 nan 8.150 nan 0.000 0.443 300 E N 0.169 120.467 120.200 0.164 0.000 2.058 300 E HA -0.133 3.977 4.350 -0.399 0.000 0.194 300 E C 2.098 178.639 176.600 -0.099 0.000 0.997 300 E CA 1.662 58.008 56.400 -0.089 0.000 0.801 300 E CB -0.397 29.229 29.700 -0.124 0.000 0.746 300 E HN 0.506 nan 8.360 nan 0.000 0.450 301 A N 0.365 123.146 122.820 -0.065 0.000 1.933 301 A HA -0.245 3.836 4.320 -0.399 0.000 0.218 301 A C 2.150 179.700 177.584 -0.056 0.000 1.175 301 A CA 1.828 53.822 52.037 -0.073 0.000 0.628 301 A CB -0.602 18.347 19.000 -0.084 0.000 0.814 301 A HN 0.390 nan 8.150 nan 0.000 0.444 302 E N -0.787 119.398 120.200 -0.026 0.000 2.072 302 E HA -0.172 3.938 4.350 -0.399 0.000 0.191 302 E C 1.893 178.485 176.600 -0.012 0.000 0.985 302 E CA 1.187 57.589 56.400 0.004 0.000 0.801 302 E CB -0.160 29.581 29.700 0.068 0.000 0.750 302 E HN 0.449 nan 8.360 nan 0.000 0.452 303 L N 1.528 122.738 121.223 -0.022 0.000 2.056 303 L HA -0.145 3.955 4.340 -0.399 0.000 0.207 303 L C 1.758 178.584 176.870 -0.074 0.000 1.078 303 L CA 1.833 56.640 54.840 -0.055 0.000 0.749 303 L CB -0.339 41.655 42.059 -0.107 0.000 0.901 303 L HN 0.111 nan 8.230 nan 0.000 0.433 304 E N -0.739 119.407 120.200 -0.090 0.000 2.077 304 E HA -0.275 3.836 4.350 -0.399 0.000 0.193 304 E C 2.039 178.598 176.600 -0.069 0.000 0.989 304 E CA 1.288 57.636 56.400 -0.085 0.000 0.800 304 E CB -0.092 29.553 29.700 -0.093 0.000 0.746 304 E HN 0.436 nan 8.360 nan 0.000 0.452 305 E N 0.949 121.113 120.200 -0.060 0.000 2.150 305 E HA -0.147 3.963 4.350 -0.399 0.000 0.193 305 E C 1.597 178.158 176.600 -0.066 0.000 0.985 305 E CA 1.025 57.392 56.400 -0.056 0.000 0.814 305 E CB -0.057 29.617 29.700 -0.043 0.000 0.752 305 E HN 0.136 nan 8.360 nan 0.000 0.466 306 N N 0.361 119.025 118.700 -0.061 0.000 2.106 306 N HA -0.101 4.399 4.740 -0.399 0.000 0.188 306 N C 1.772 177.224 175.510 -0.097 0.000 1.029 306 N CA 1.020 54.026 53.050 -0.073 0.000 0.848 306 N CB -0.259 38.200 38.487 -0.047 0.000 1.007 306 N HN 0.176 nan 8.380 nan 0.000 0.423 307 R N 0.632 121.087 120.500 -0.075 0.000 2.091 307 R HA -0.023 4.077 4.340 -0.399 0.000 0.238 307 R C 2.283 178.525 176.300 -0.098 0.000 1.136 307 R CA 0.880 56.936 56.100 -0.073 0.000 0.959 307 R CB -0.384 29.886 30.300 -0.050 0.000 0.856 307 R HN 0.277 nan 8.270 nan 0.000 0.437 308 I N 0.712 121.225 120.570 -0.093 0.000 2.113 308 I HA -0.321 3.610 4.170 -0.399 0.000 0.238 308 I C 2.404 178.435 176.117 -0.143 0.000 1.070 308 I CA 1.499 62.741 61.300 -0.096 0.000 1.332 308 I CB -0.432 37.522 38.000 -0.076 0.000 1.044 308 I HN 0.121 nan 8.210 nan 0.000 0.402 309 I N 0.808 121.278 120.570 -0.167 0.000 2.145 309 I HA -0.340 3.590 4.170 -0.399 0.000 0.244 309 I C 2.330 178.141 176.117 -0.511 0.000 1.075 309 I CA 1.742 62.887 61.300 -0.258 0.000 1.332 309 I CB -0.365 37.504 38.000 -0.220 0.000 1.033 309 I HN 0.259 nan 8.210 nan 0.000 0.410 310 L N -0.679 120.257 121.223 -0.478 0.000 2.478 310 L HA -0.035 4.065 4.340 -0.399 0.000 0.223 310 L C 2.085 178.752 176.870 -0.339 0.000 1.140 310 L CA 0.301 54.788 54.840 -0.589 0.000 0.842 310 L CB -0.402 41.456 42.059 -0.335 0.000 0.953 310 L HN 0.111 nan 8.230 nan 0.000 0.452 311 S N -0.442 115.127 115.700 -0.220 0.000 2.851 311 S HA 0.034 4.265 4.470 -0.399 0.000 0.227 311 S C 0.733 175.283 174.600 -0.084 0.000 0.958 311 S CA 0.140 58.273 58.200 -0.112 0.000 0.990 311 S CB -0.204 62.948 63.200 -0.081 0.000 0.790 311 S HN 0.388 nan 8.310 nan 0.000 0.509 312 Q N 0.616 120.348 119.800 -0.113 0.000 2.448 312 Q HA 0.605 4.706 4.340 -0.399 0.000 0.192 312 Q C -0.696 175.367 176.000 0.104 0.000 1.001 312 Q CA -0.728 55.077 55.803 0.003 0.000 1.018 312 Q CB 0.966 29.733 28.738 0.047 0.000 1.290 312 Q HN 0.432 nan 8.270 nan 0.000 0.517 313 E N -0.603 119.696 120.200 0.165 0.000 2.388 313 E HA 0.209 4.319 4.350 -0.399 0.000 0.282 313 E C -1.975 174.714 176.600 0.149 0.000 1.026 313 E CA -0.162 56.335 56.400 0.161 0.000 0.820 313 E CB 1.675 31.430 29.700 0.091 0.000 1.226 313 E HN 0.466 nan 8.360 nan 0.000 0.432 314 Q N 1.335 121.231 119.800 0.161 0.000 2.544 314 Q HA 0.558 4.658 4.340 -0.399 0.000 0.291 314 Q C -1.213 174.794 176.000 0.012 0.000 1.068 314 Q CA -1.033 54.848 55.803 0.130 0.000 0.785 314 Q CB 2.747 31.639 28.738 0.256 0.000 1.481 314 Q HN 0.579 nan 8.270 nan 0.000 0.430 315 E N -0.966 119.046 120.200 -0.313 0.000 2.437 315 E HA 0.834 4.945 4.350 -0.399 0.000 0.280 315 E C -0.891 174.850 176.600 -1.431 0.000 1.044 315 E CA -1.134 54.712 56.400 -0.924 0.000 0.826 315 E CB 1.647 31.040 29.700 -0.512 0.000 1.358 315 E HN 0.737 nan 8.360 nan 0.000 0.459 316 G N -0.104 107.480 108.800 -2.027 0.000 2.341 316 G HA2 0.319 4.039 3.960 -0.399 0.000 0.299 316 G HA3 0.319 4.039 3.960 -0.399 0.000 0.299 316 G C -1.525 172.558 174.900 -1.362 0.000 1.274 316 G CA -0.742 43.535 45.100 -1.370 0.000 0.853 316 G HN 0.500 nan 8.290 nan 0.000 0.493 317 H N -1.176 117.790 119.070 -0.173 0.000 2.713 317 H HA 0.607 4.922 4.556 -0.401 0.000 0.340 317 H C -0.731 174.717 175.328 0.200 0.000 1.271 317 H CA -0.275 55.744 56.048 -0.048 0.000 1.306 317 H CB 1.057 30.856 29.762 0.062 0.000 1.839 317 H HN 0.442 nan 8.280 nan 0.000 0.627 318 Y N -0.963 119.665 120.300 0.547 0.000 2.432 318 Y HA 0.144 4.455 4.550 -0.398 0.000 0.322 318 Y C 0.252 176.400 175.900 0.412 0.000 1.246 318 Y CA -0.684 57.684 58.100 0.446 0.000 1.268 318 Y CB 0.748 39.392 38.460 0.307 0.000 1.276 318 Y HN 0.467 nan 8.280 nan 0.000 0.499 319 Y N 1.502 122.057 120.300 0.425 0.000 2.309 319 Y HA 0.193 4.503 4.550 -0.399 0.000 0.327 319 Y C -0.344 175.666 175.900 0.183 0.000 1.172 319 Y CA -0.556 57.718 58.100 0.290 0.000 1.280 319 Y CB 0.555 39.244 38.460 0.381 0.000 1.234 319 Y HN 0.527 nan 8.280 nan 0.000 0.512 320 Q N 5.505 125.177 119.800 -0.212 0.000 2.607 320 Q HA 0.054 4.154 4.340 -0.399 0.000 0.247 320 Q C 0.531 176.124 176.000 -0.678 0.000 1.033 320 Q CA -0.261 55.340 55.803 -0.338 0.000 0.769 320 Q CB 1.390 30.060 28.738 -0.113 0.000 1.169 320 Q HN 0.866 nan 8.270 nan 0.000 0.508 321 E N 1.567 121.169 120.200 -0.998 0.000 2.284 321 E HA -0.280 3.830 4.350 -0.399 0.000 0.200 321 E C 0.482 176.908 176.600 -0.290 0.000 1.008 321 E CA 1.822 57.765 56.400 -0.761 0.000 0.829 321 E CB 0.520 29.987 29.700 -0.388 0.000 0.744 321 E HN 0.526 nan 8.360 nan 0.000 0.491 322 E N 0.604 120.673 120.200 -0.218 0.000 2.112 322 E HA -0.002 4.108 4.350 -0.399 0.000 0.190 322 E C 0.485 177.029 176.600 -0.093 0.000 0.979 322 E CA 0.675 57.007 56.400 -0.115 0.000 0.814 322 E CB -0.035 29.613 29.700 -0.087 0.000 0.762 322 E HN 0.077 nan 8.360 nan 0.000 0.460 323 K N 0.887 121.220 120.400 -0.111 0.000 2.120 323 K HA 0.138 4.218 4.320 -0.399 0.000 0.245 323 K C 0.266 176.830 176.600 -0.059 0.000 1.024 323 K CA -0.531 55.713 56.287 -0.072 0.000 0.906 323 K CB 0.472 32.936 32.500 -0.061 0.000 1.051 323 K HN -0.086 nan 8.250 nan 0.000 0.491 324 E N 1.155 121.327 120.200 -0.048 0.000 2.390 324 E HA 0.109 4.220 4.350 -0.399 0.000 0.261 324 E C -1.433 175.109 176.600 -0.097 0.000 1.076 324 E CA -0.312 56.054 56.400 -0.058 0.000 0.905 324 E CB 0.565 30.235 29.700 -0.050 0.000 0.984 324 E HN 0.240 nan 8.360 nan 0.000 0.427 325 L N 3.212 124.351 121.223 -0.140 0.000 2.298 325 L HA 0.422 4.522 4.340 -0.399 0.000 0.284 325 L C -0.909 175.745 176.870 -0.361 0.000 1.013 325 L CA 0.026 54.701 54.840 -0.274 0.000 0.824 325 L CB 1.068 42.960 42.059 -0.280 0.000 1.221 325 L HN 0.600 nan 8.230 nan 0.000 0.418 326 E N 3.283 123.173 120.200 -0.516 0.000 2.299 326 E HA 0.869 4.979 4.350 -0.399 0.000 0.265 326 E C -1.282 174.926 176.600 -0.653 0.000 0.911 326 E CA -1.130 54.908 56.400 -0.603 0.000 0.789 326 E CB 2.034 31.358 29.700 -0.627 0.000 1.246 326 E HN 0.674 nan 8.360 nan 0.000 0.427 327 A N 1.412 123.923 122.820 -0.515 0.000 2.385 327 A HA 0.540 4.620 4.320 -0.399 0.000 0.290 327 A C -0.898 176.721 177.584 0.058 0.000 1.094 327 A CA -0.578 51.270 52.037 -0.315 0.000 0.729 327 A CB 1.487 19.977 19.000 -0.850 0.000 1.194 327 A HN 0.413 nan 8.150 nan 0.000 0.442 328 T N 2.190 116.949 114.554 0.342 0.000 2.792 328 T HA 0.547 4.657 4.350 -0.399 0.000 0.280 328 T C -0.372 174.527 174.700 0.332 0.000 0.990 328 T CA -0.218 62.106 62.100 0.373 0.000 0.960 328 T CB 1.125 70.195 68.868 0.337 0.000 0.939 328 T HN 0.472 nan 8.240 nan 0.000 0.439 329 V N 3.900 124.009 119.914 0.324 0.000 2.630 329 V HA 0.651 4.531 4.120 -0.399 0.000 0.305 329 V C -0.196 176.097 176.094 0.331 0.000 1.046 329 V CA -0.732 61.782 62.300 0.357 0.000 0.934 329 V CB 1.840 33.857 31.823 0.324 0.000 1.003 329 V HN 0.863 nan 8.190 nan 0.000 0.451 330 Q N 3.132 123.143 119.800 0.353 0.000 2.284 330 Q HA 0.471 4.571 4.340 -0.399 0.000 0.269 330 Q C -0.990 175.099 176.000 0.147 0.000 1.026 330 Q CA -0.870 55.069 55.803 0.227 0.000 0.831 330 Q CB 1.974 30.785 28.738 0.121 0.000 1.322 330 Q HN 0.832 nan 8.270 nan 0.000 0.419 331 K N 2.475 122.789 120.400 -0.143 0.000 2.205 331 K HA 0.306 4.386 4.320 -0.399 0.000 0.279 331 K C -0.987 175.391 176.600 -0.370 0.000 1.027 331 K CA -0.225 55.619 56.287 -0.738 0.000 0.932 331 K CB 1.507 33.206 32.500 -1.334 0.000 1.032 331 K HN 0.504 nan 8.250 nan 0.000 0.466 332 D N 1.266 121.470 120.400 -0.327 0.000 2.685 332 D HA -0.086 4.314 4.640 -0.399 0.000 0.254 332 D C 1.565 177.763 176.300 -0.169 0.000 1.414 332 D CA 0.672 54.567 54.000 -0.176 0.000 1.145 332 D CB 0.087 40.830 40.800 -0.095 0.000 0.941 332 D HN 0.790 nan 8.370 nan 0.000 0.250 333 Q N 0.394 120.112 119.800 -0.136 0.000 1.838 333 Q HA 0.005 4.105 4.340 -0.399 0.000 0.242 333 Q C 0.889 176.816 176.000 -0.122 0.000 0.966 333 Q CA 1.718 57.459 55.803 -0.104 0.000 0.870 333 Q CB -0.114 28.585 28.738 -0.065 0.000 0.911 333 Q HN 0.354 nan 8.270 nan 0.000 0.434 334 D N -1.257 119.080 120.400 -0.105 0.000 2.871 334 D HA 0.026 4.426 4.640 -0.399 0.000 0.291 334 D C 1.053 177.309 176.300 -0.074 0.000 1.150 334 D CA 0.033 53.983 54.000 -0.084 0.000 0.999 334 D CB 0.166 40.944 40.800 -0.037 0.000 1.452 334 D HN 0.174 nan 8.370 nan 0.000 0.465 335 N N 0.205 118.888 118.700 -0.029 0.000 2.177 335 N HA 0.051 4.552 4.740 -0.399 0.000 0.218 335 N C -0.529 175.033 175.510 0.086 0.000 1.182 335 N CA -0.066 53.025 53.050 0.068 0.000 0.882 335 N CB 0.914 39.451 38.487 0.083 0.000 1.052 335 N HN 0.406 nan 8.380 nan 0.000 0.519 336 Q N 0.456 120.221 119.800 -0.059 0.000 2.377 336 Q HA 0.153 4.253 4.340 -0.399 0.000 0.249 336 Q C -1.377 174.557 176.000 -0.110 0.000 1.005 336 Q CA -0.426 55.366 55.803 -0.017 0.000 0.912 336 Q CB 0.417 29.133 28.738 -0.036 0.000 1.223 336 Q HN 0.061 nan 8.270 nan 0.000 0.459 337 W N 2.684 124.083 121.300 0.166 0.000 2.632 337 W HA 0.428 4.888 4.660 -0.334 0.000 0.328 337 W C -0.248 176.391 176.519 0.200 0.000 1.044 337 W CA -0.432 57.030 57.345 0.195 0.000 1.225 337 W CB 2.108 31.727 29.460 0.264 0.000 1.396 337 W HN 0.542 nan 8.180 nan 0.000 0.499 338 T N -0.014 114.772 114.554 0.387 0.000 2.906 338 T HA 0.801 4.912 4.350 -0.399 0.000 0.295 338 T C -1.132 173.756 174.700 0.314 0.000 1.075 338 T CA -0.767 61.474 62.100 0.235 0.000 1.005 338 T CB 1.863 70.784 68.868 0.089 0.000 1.136 338 T HN 0.448 nan 8.240 nan 0.000 0.498 339 Y N -1.020 119.401 120.300 0.202 0.000 2.677 339 Y HA 0.834 5.145 4.550 -0.398 0.000 0.334 339 Y C -1.274 174.721 175.900 0.157 0.000 1.154 339 Y CA -1.510 56.703 58.100 0.188 0.000 1.070 339 Y CB 1.647 40.226 38.460 0.199 0.000 1.294 339 Y HN 0.980 nan 8.280 nan 0.000 0.475 340 K N 1.762 122.392 120.400 0.384 0.000 2.553 340 K HA 0.577 4.657 4.320 -0.399 0.000 0.250 340 K C -1.936 174.906 176.600 0.403 0.000 0.953 340 K CA -0.718 55.743 56.287 0.290 0.000 0.800 340 K CB 2.162 34.752 32.500 0.149 0.000 1.243 340 K HN 0.600 nan 8.250 nan 0.000 0.435 341 I N 5.177 125.939 120.570 0.319 0.000 2.342 341 I HA 0.315 4.245 4.170 -0.399 0.000 0.291 341 I C 0.211 176.394 176.117 0.110 0.000 1.010 341 I CA -0.042 61.313 61.300 0.092 0.000 1.308 341 I CB 0.345 38.327 38.000 -0.031 0.000 1.400 341 I HN 0.851 nan 8.210 nan 0.000 0.488 342 H N 4.820 123.843 119.070 -0.078 0.000 2.990 342 H HA 0.534 4.844 4.556 -0.410 0.000 0.336 342 H C -1.567 173.727 175.328 -0.057 0.000 1.306 342 H CA -1.023 55.007 56.048 -0.029 0.000 1.118 342 H CB 1.906 31.680 29.762 0.019 0.000 1.856 342 H HN 0.503 nan 8.280 nan 0.000 0.538 343 Q N 1.549 121.379 119.800 0.049 0.000 2.337 343 Q HA 0.235 4.335 4.340 -0.399 0.000 0.264 343 Q C -0.484 175.568 176.000 0.087 0.000 1.007 343 Q CA -0.632 55.168 55.803 -0.005 0.000 0.727 343 Q CB 2.195 30.936 28.738 0.005 0.000 1.256 343 Q HN 0.659 nan 8.270 nan 0.000 0.467 344 E N 0.861 121.131 120.200 0.117 0.000 3.097 344 E HA -0.298 3.813 4.350 -0.399 0.000 0.310 344 E C 0.624 177.311 176.600 0.145 0.000 1.426 344 E CA 1.863 58.326 56.400 0.105 0.000 1.676 344 E CB -0.691 29.032 29.700 0.038 0.000 1.891 344 E HN 0.899 nan 8.360 nan 0.000 0.527 345 E N 1.716 121.947 120.200 0.053 0.000 2.489 345 E HA 0.132 4.242 4.350 -0.399 0.000 0.193 345 E C 0.494 177.116 176.600 0.037 0.000 1.057 345 E CA 0.270 56.677 56.400 0.012 0.000 0.866 345 E CB 0.143 29.833 29.700 -0.018 0.000 0.916 345 E HN 0.106 nan 8.360 nan 0.000 0.500 346 K N 1.790 122.232 120.400 0.070 0.000 2.316 346 K HA 0.282 4.362 4.320 -0.399 0.000 0.289 346 K C -0.489 176.237 176.600 0.210 0.000 1.070 346 K CA -0.278 56.064 56.287 0.091 0.000 0.928 346 K CB 0.853 33.372 32.500 0.032 0.000 1.039 346 K HN 0.086 nan 8.250 nan 0.000 0.480 347 I N 6.081 126.819 120.570 0.279 0.000 2.352 347 I HA -0.003 3.927 4.170 -0.399 0.000 0.290 347 I C 1.297 177.578 176.117 0.273 0.000 1.036 347 I CA -0.217 61.231 61.300 0.246 0.000 1.336 347 I CB 0.976 39.058 38.000 0.136 0.000 1.407 347 I HN 0.587 nan 8.210 nan 0.000 0.497 348 L N 5.947 127.328 121.223 0.264 0.000 2.145 348 L HA 0.093 4.193 4.340 -0.399 0.000 0.201 348 L C 0.507 177.660 176.870 0.472 0.000 1.075 348 L CA 0.852 55.916 54.840 0.372 0.000 0.773 348 L CB -0.290 41.958 42.059 0.314 0.000 0.936 348 L HN 0.628 nan 8.230 nan 0.000 0.451 349 K N -1.414 119.214 120.400 0.379 0.000 2.587 349 K HA 0.558 4.639 4.320 -0.399 0.000 0.276 349 K C -1.483 175.259 176.600 0.237 0.000 0.956 349 K CA -0.792 55.733 56.287 0.396 0.000 0.857 349 K CB 2.176 34.972 32.500 0.493 0.000 1.431 349 K HN -0.290 nan 8.250 nan 0.000 0.420 350 V N 0.803 120.794 119.914 0.127 0.000 2.850 350 V HA 0.860 4.740 4.120 -0.399 0.000 0.315 350 V C 0.250 176.205 176.094 -0.231 0.000 1.064 350 V CA 0.058 62.329 62.300 -0.048 0.000 0.979 350 V CB 1.746 33.538 31.823 -0.051 0.000 1.039 350 V HN 0.991 nan 8.190 nan 0.000 0.452 351 G N 1.869 110.211 108.800 -0.764 0.000 2.708 351 G HA2 0.705 4.425 3.960 -0.399 0.000 0.289 351 G HA3 0.705 4.425 3.960 -0.399 0.000 0.289 351 G C -1.629 172.855 174.900 -0.693 0.000 1.416 351 G CA -0.481 44.026 45.100 -0.988 0.000 0.829 351 G HN 0.433 nan 8.290 nan 0.000 0.480 352 K N -1.110 119.192 120.400 -0.163 0.000 2.466 352 K HA 0.661 4.741 4.320 -0.399 0.000 0.260 352 K C -2.242 174.588 176.600 0.384 0.000 1.011 352 K CA -0.875 55.485 56.287 0.121 0.000 0.871 352 K CB 2.618 35.169 32.500 0.084 0.000 1.404 352 K HN 0.649 nan 8.250 nan 0.000 0.450 353 Y N -0.842 119.609 120.300 0.252 0.000 2.314 353 Y HA 0.424 4.758 4.550 -0.361 0.000 0.317 353 Y C -1.156 174.909 175.900 0.275 0.000 1.234 353 Y CA -0.187 58.064 58.100 0.252 0.000 1.111 353 Y CB 1.325 39.944 38.460 0.265 0.000 1.283 353 Y HN 0.587 nan 8.280 nan 0.000 0.418 354 A N 5.089 127.793 122.820 -0.194 0.000 2.701 354 A HA 0.230 4.311 4.320 -0.399 0.000 0.241 354 A C 0.201 177.655 177.584 -0.216 0.000 1.231 354 A CA -0.403 51.608 52.037 -0.042 0.000 1.003 354 A CB 0.081 19.092 19.000 0.018 0.000 1.281 354 A HN 0.559 nan 8.150 nan 0.000 0.600 355 K N 0.791 120.818 120.400 -0.622 0.000 2.604 355 K HA 0.135 4.215 4.320 -0.399 0.000 0.278 355 K C -0.208 176.309 176.600 -0.138 0.000 0.975 355 K CA 0.708 56.740 56.287 -0.425 0.000 1.066 355 K CB 0.276 32.398 32.500 -0.628 0.000 0.840 355 K HN 0.123 nan 8.250 nan 0.000 0.491 360 H N 1.569 120.678 119.070 0.066 0.000 3.198 360 H HA 0.625 4.941 4.556 -0.401 0.000 0.317 360 H C -0.723 174.631 175.328 0.044 0.000 1.178 360 H CA -0.562 55.516 56.048 0.049 0.000 1.609 360 H CB 0.780 30.562 29.762 0.034 0.000 1.819 360 H HN 0.338 nan 8.280 nan 0.000 0.533 361 T N 1.184 115.824 114.554 0.144 0.000 2.598 361 T HA 0.522 4.632 4.350 -0.399 0.000 0.254 361 T C -0.042 174.658 174.700 -0.000 0.000 0.889 361 T CA -0.785 61.356 62.100 0.068 0.000 1.091 361 T CB 1.572 70.467 68.868 0.045 0.000 1.437 361 T HN 0.662 nan 8.240 nan 0.000 0.542 362 N N -1.900 116.737 118.700 -0.106 0.000 2.853 362 N HA 0.516 5.016 4.740 -0.399 0.000 0.258 362 N C 1.148 176.588 175.510 -0.117 0.000 1.444 362 N CA -0.455 52.506 53.050 -0.149 0.000 0.837 362 N CB 0.435 38.722 38.487 -0.333 0.000 1.489 362 N HN 0.761 nan 8.380 nan 0.000 0.529 363 G N 0.031 108.804 108.800 -0.044 0.000 2.442 363 G HA2 -0.185 3.535 3.960 -0.399 0.000 0.219 363 G HA3 -0.185 3.535 3.960 -0.399 0.000 0.219 363 G C 1.022 175.919 174.900 -0.004 0.000 1.141 363 G CA 0.930 46.107 45.100 0.129 0.000 0.763 363 G HN 0.599 nan 8.290 nan 0.000 0.554 364 I N -0.096 120.310 120.570 -0.274 0.000 2.315 364 I HA -0.115 3.816 4.170 -0.399 0.000 0.248 364 I C 2.989 178.938 176.117 -0.281 0.000 1.117 364 I CA 0.863 61.946 61.300 -0.361 0.000 1.404 364 I CB -0.230 37.200 38.000 -0.950 0.000 1.071 364 I HN 0.116 nan 8.210 nan 0.000 0.419 365 R N 0.649 120.922 120.500 -0.379 0.000 2.090 365 R HA -0.022 4.079 4.340 -0.399 0.000 0.228 365 R C 2.315 178.591 176.300 -0.040 0.000 1.110 365 R CA 1.005 57.036 56.100 -0.115 0.000 0.973 365 R CB -0.209 29.992 30.300 -0.164 0.000 0.869 365 R HN 0.310 nan 8.270 nan 0.000 0.440 366 L N 0.306 121.475 121.223 -0.090 0.000 2.056 366 L HA -0.149 3.951 4.340 -0.399 0.000 0.207 366 L C 2.293 178.841 176.870 -0.537 0.000 1.078 366 L CA 0.525 55.270 54.840 -0.157 0.000 0.749 366 L CB -0.425 41.670 42.059 0.059 0.000 0.901 366 L HN 0.150 nan 8.230 nan 0.000 0.433 367 L N 0.514 121.391 121.223 -0.577 0.000 2.042 367 L HA -0.190 3.910 4.340 -0.399 0.000 0.210 367 L C 2.640 179.255 176.870 -0.426 0.000 1.076 367 L CA 2.076 56.474 54.840 -0.736 0.000 0.749 367 L CB -0.807 41.070 42.059 -0.303 0.000 0.893 367 L HN 0.178 nan 8.230 nan 0.000 0.432 368 A N -1.509 121.237 122.820 -0.123 0.000 1.972 368 A HA -0.211 3.869 4.320 -0.399 0.000 0.219 368 A C 2.160 179.603 177.584 -0.234 0.000 1.169 368 A CA 1.518 53.503 52.037 -0.086 0.000 0.635 368 A CB -0.463 18.556 19.000 0.033 0.000 0.810 368 A HN 0.605 nan 8.150 nan 0.000 0.446 369 Q N -0.345 119.281 119.800 -0.289 0.000 2.119 369 Q HA -0.085 4.015 4.340 -0.399 0.000 0.201 369 Q C 2.344 177.965 176.000 -0.632 0.000 0.972 369 Q CA 1.534 57.127 55.803 -0.351 0.000 0.847 369 Q CB -0.516 28.067 28.738 -0.258 0.000 0.903 369 Q HN 0.526 nan 8.270 nan 0.000 0.433 370 V N 0.378 119.792 119.914 -0.833 0.000 2.261 370 V HA -0.214 3.666 4.120 -0.399 0.000 0.246 370 V C 2.521 178.350 176.094 -0.441 0.000 1.047 370 V CA 1.430 63.266 62.300 -0.773 0.000 1.015 370 V CB -0.787 30.638 31.823 -0.664 0.000 0.642 370 V HN 0.084 nan 8.190 nan 0.000 0.446 371 V N 0.369 120.019 119.914 -0.441 0.000 2.324 371 V HA -0.354 3.526 4.120 -0.399 0.000 0.250 371 V C 2.566 178.556 176.094 -0.175 0.000 1.060 371 V CA 2.507 64.513 62.300 -0.489 0.000 1.042 371 V CB -0.777 30.580 31.823 -0.776 0.000 0.650 371 V HN 0.699 nan 8.190 nan 0.000 0.450 372 Q N 1.090 120.818 119.800 -0.120 0.000 2.084 372 Q HA -0.232 3.869 4.340 -0.399 0.000 0.202 372 Q C 2.221 178.182 176.000 -0.064 0.000 0.978 372 Q CA 2.340 58.137 55.803 -0.010 0.000 0.844 372 Q CB -0.518 28.186 28.738 -0.057 0.000 0.898 372 Q HN 0.606 nan 8.270 nan 0.000 0.426 373 K N -0.062 120.266 120.400 -0.120 0.000 2.032 373 K HA -0.151 3.930 4.320 -0.399 0.000 0.209 373 K C 2.050 178.608 176.600 -0.070 0.000 1.048 373 K CA 1.772 58.018 56.287 -0.069 0.000 0.927 373 K CB -0.300 32.173 32.500 -0.046 0.000 0.712 373 K HN 0.397 nan 8.250 nan 0.000 0.441 374 I N 0.699 121.189 120.570 -0.135 0.000 2.226 374 I HA -0.178 3.752 4.170 -0.399 0.000 0.245 374 I C 2.517 178.692 176.117 0.096 0.000 1.100 374 I CA 1.304 62.515 61.300 -0.149 0.000 1.374 374 I CB -0.621 37.276 38.000 -0.173 0.000 1.057 374 I HN 0.404 nan 8.210 nan 0.000 0.413 375 G N 0.922 109.872 108.800 0.251 0.000 2.421 375 G HA2 -0.303 3.417 3.960 -0.399 0.000 0.216 375 G HA3 -0.303 3.417 3.960 -0.399 0.000 0.216 375 G C 1.696 176.597 174.900 0.001 0.000 1.171 375 G CA 0.939 46.203 45.100 0.273 0.000 0.775 375 G HN 0.315 nan 8.290 nan 0.000 0.543 376 K N 0.517 120.862 120.400 -0.090 0.000 2.032 376 K HA -0.146 3.934 4.320 -0.399 0.000 0.209 376 K C 2.347 178.910 176.600 -0.062 0.000 1.048 376 K CA 1.761 57.979 56.287 -0.114 0.000 0.927 376 K CB -0.262 32.173 32.500 -0.108 0.000 0.712 376 K HN 0.451 nan 8.250 nan 0.000 0.441 377 E N -0.266 119.916 120.200 -0.029 0.000 2.110 377 E HA -0.190 3.920 4.350 -0.399 0.000 0.193 377 E C 1.697 178.274 176.600 -0.038 0.000 0.988 377 E CA 1.073 57.450 56.400 -0.038 0.000 0.804 377 E CB -0.117 29.588 29.700 0.008 0.000 0.745 377 E HN 0.459 nan 8.360 nan 0.000 0.458 378 A N 0.887 123.769 122.820 0.104 0.000 2.014 378 A HA -0.067 4.013 4.320 -0.399 0.000 0.218 378 A C 2.149 179.821 177.584 0.148 0.000 1.163 378 A CA 0.532 52.746 52.037 0.296 0.000 0.652 378 A CB -0.406 18.785 19.000 0.319 0.000 0.808 378 A HN 0.339 nan 8.150 nan 0.000 0.449 379 L N -0.523 120.723 121.223 0.038 0.000 2.093 379 L HA -0.134 3.966 4.340 -0.399 0.000 0.208 379 L C 2.486 179.323 176.870 -0.056 0.000 1.085 379 L CA 1.072 55.911 54.840 -0.002 0.000 0.755 379 L CB -0.252 41.776 42.059 -0.051 0.000 0.904 379 L HN 0.280 nan 8.230 nan 0.000 0.435 380 V N 0.107 119.957 119.914 -0.107 0.000 2.307 380 V HA -0.290 3.590 4.120 -0.399 0.000 0.245 380 V C 2.188 178.127 176.094 -0.259 0.000 1.045 380 V CA 1.778 63.986 62.300 -0.153 0.000 1.024 380 V CB -0.126 31.605 31.823 -0.154 0.000 0.651 380 V HN 0.320 nan 8.190 nan 0.000 0.449 381 I N -1.865 118.427 120.570 -0.463 0.000 2.400 381 I HA -0.108 3.822 4.170 -0.399 0.000 0.248 381 I C 1.981 177.559 176.117 -0.899 0.000 1.109 381 I CA 1.254 62.036 61.300 -0.863 0.000 1.425 381 I CB -0.163 36.862 38.000 -1.626 0.000 1.094 381 I HN 0.393 nan 8.210 nan 0.000 0.425 382 W N 0.472 121.644 121.300 -0.214 0.000 3.008 382 W HA 0.355 4.774 4.660 -0.403 0.000 0.355 382 W C 1.469 177.922 176.519 -0.110 0.000 1.095 382 W CA 0.566 57.741 57.345 -0.283 0.000 1.738 382 W CB -0.211 28.978 29.460 -0.451 0.000 1.091 382 W HN 0.319 nan 8.180 nan 0.000 0.574 383 G N 2.452 111.295 108.800 0.071 0.000 2.166 383 G HA2 -0.333 3.387 3.960 -0.399 0.000 0.260 383 G HA3 -0.333 3.387 3.960 -0.399 0.000 0.260 383 G C 0.240 175.204 174.900 0.107 0.000 0.986 383 G CA 0.897 46.039 45.100 0.071 0.000 0.683 383 G HN 0.426 nan 8.290 nan 0.000 0.527 384 R N -1.501 119.087 120.500 0.148 0.000 2.739 384 R HA 0.757 4.858 4.340 -0.399 0.000 0.271 384 R C -0.680 175.696 176.300 0.126 0.000 1.010 384 R CA -1.384 54.793 56.100 0.129 0.000 0.897 384 R CB 1.118 31.494 30.300 0.127 0.000 1.236 384 R HN 0.103 nan 8.270 nan 0.000 0.466 385 I N 3.045 123.689 120.570 0.123 0.000 2.371 385 I HA 0.314 4.245 4.170 -0.399 0.000 0.290 385 I C -1.661 174.478 176.117 0.036 0.000 1.028 385 I CA -2.062 59.335 61.300 0.161 0.000 1.345 385 I CB 1.318 39.491 38.000 0.289 0.000 1.407 385 I HN 0.523 nan 8.210 nan 0.000 0.501 386 P HA 0.150 nan 4.420 nan 0.000 0.276 386 P C -1.094 175.993 177.300 -0.356 0.000 1.261 386 P CA -0.689 62.214 63.100 -0.328 0.000 0.800 386 P CB 0.883 32.248 31.700 -0.558 0.000 1.066 387 K N 0.733 120.905 120.400 -0.380 0.000 2.227 387 K HA 0.362 4.442 4.320 -0.399 0.000 0.280 387 K C -1.197 175.059 176.600 -0.574 0.000 1.041 387 K CA -0.190 55.905 56.287 -0.320 0.000 0.905 387 K CB -0.517 31.836 32.500 -0.245 0.000 1.068 387 K HN 0.186 nan 8.250 nan 0.000 0.470 388 F N 3.629 123.371 119.950 -0.347 0.000 2.385 388 F HA 0.307 4.609 4.527 -0.376 0.000 0.336 388 F C 0.459 176.023 175.800 -0.394 0.000 1.100 388 F CA -0.204 57.598 58.000 -0.330 0.000 1.116 388 F CB 1.095 39.967 39.000 -0.213 0.000 1.166 388 F HN 0.465 nan 8.300 nan 0.000 0.511 389 H N 5.007 124.238 119.070 0.269 0.000 2.762 389 H HA 0.445 4.761 4.556 -0.400 0.000 0.310 389 H C -0.758 174.719 175.328 0.249 0.000 1.004 389 H CA -0.476 55.709 56.048 0.229 0.000 1.267 389 H CB 1.060 30.908 29.762 0.144 0.000 1.437 389 H HN 0.426 nan 8.280 nan 0.000 0.498 390 L N 4.633 126.092 121.223 0.394 0.000 2.334 390 L HA 0.376 4.476 4.340 -0.399 0.000 0.273 390 L C -1.931 175.165 176.870 0.377 0.000 1.013 390 L CA -2.058 52.941 54.840 0.265 0.000 0.816 390 L CB 2.563 44.572 42.059 -0.082 0.000 1.278 390 L HN 0.320 nan 8.230 nan 0.000 0.431 391 P HA 0.122 nan 4.420 nan 0.000 0.220 391 P C -0.742 176.821 177.300 0.439 0.000 1.806 391 P CA 0.082 63.416 63.100 0.390 0.000 0.976 391 P CB 0.586 32.467 31.700 0.302 0.000 1.952 392 V N 0.405 120.644 119.914 0.541 0.000 2.924 392 V HA 0.240 4.120 4.120 -0.399 0.000 0.300 392 V C -0.755 175.466 176.094 0.212 0.000 1.227 392 V CA -0.799 61.694 62.300 0.322 0.000 0.954 392 V CB 2.733 34.716 31.823 0.267 0.000 1.055 392 V HN 0.065 nan 8.190 nan 0.000 0.429 393 E N 3.900 123.996 120.200 -0.173 0.000 2.373 393 E HA 0.258 4.368 4.350 -0.399 0.000 0.267 393 E C 0.772 177.445 176.600 0.122 0.000 1.032 393 E CA -0.169 55.986 56.400 -0.409 0.000 0.889 393 E CB 1.299 30.733 29.700 -0.444 0.000 0.984 393 E HN 0.613 nan 8.360 nan 0.000 0.425 394 R N 2.302 122.864 120.500 0.103 0.000 2.096 394 R HA -0.246 3.855 4.340 -0.399 0.000 0.240 394 R C 1.447 177.921 176.300 0.290 0.000 1.139 394 R CA 2.187 58.440 56.100 0.256 0.000 0.952 394 R CB 0.084 30.363 30.300 -0.036 0.000 0.854 394 R HN 0.516 nan 8.270 nan 0.000 0.436 395 E N 0.195 120.477 120.200 0.137 0.000 2.118 395 E HA -0.184 3.926 4.350 -0.399 0.000 0.195 395 E C 1.913 178.611 176.600 0.163 0.000 0.992 395 E CA 1.532 58.009 56.400 0.127 0.000 0.804 395 E CB -0.251 29.484 29.700 0.058 0.000 0.741 395 E HN 0.451 nan 8.360 nan 0.000 0.458 396 I N 0.090 120.758 120.570 0.163 0.000 2.202 396 I HA -0.196 3.734 4.170 -0.399 0.000 0.242 396 I C 2.316 178.581 176.117 0.245 0.000 1.091 396 I CA 0.978 62.372 61.300 0.158 0.000 1.368 396 I CB -0.359 37.705 38.000 0.106 0.000 1.058 396 I HN 0.325 nan 8.210 nan 0.000 0.410 397 W N 2.618 124.026 121.300 0.180 0.000 2.353 397 W HA -0.219 4.279 4.660 -0.269 0.000 0.319 397 W C 2.254 178.992 176.519 0.364 0.000 1.207 397 W CA 1.819 59.324 57.345 0.266 0.000 1.291 397 W CB -0.358 29.293 29.460 0.319 0.000 1.159 397 W HN 0.167 nan 8.180 nan 0.000 0.478 398 E N 0.133 120.665 120.200 0.553 0.000 2.085 398 E HA -0.341 3.770 4.350 -0.399 0.000 0.194 398 E C 2.203 178.915 176.600 0.187 0.000 0.994 398 E CA 1.798 58.427 56.400 0.381 0.000 0.801 398 E CB -0.615 29.296 29.700 0.352 0.000 0.743 398 E HN 0.422 nan 8.360 nan 0.000 0.453 399 Q N 0.400 120.295 119.800 0.157 0.000 2.061 399 Q HA -0.204 3.896 4.340 -0.399 0.000 0.204 399 Q C 2.014 178.021 176.000 0.012 0.000 0.984 399 Q CA 1.633 57.485 55.803 0.082 0.000 0.846 399 Q CB -0.256 28.536 28.738 0.090 0.000 0.902 399 Q HN 0.506 nan 8.270 nan 0.000 0.421 400 W N 0.226 121.403 121.300 -0.205 0.000 2.354 400 W HA -0.224 4.200 4.660 -0.393 0.000 0.315 400 W C 1.051 177.274 176.519 -0.494 0.000 1.206 400 W CA 1.271 58.366 57.345 -0.417 0.000 1.290 400 W CB -0.897 28.165 29.460 -0.663 0.000 1.152 400 W HN 0.301 nan 8.180 nan 0.000 0.489 401 W N 1.191 122.264 121.300 -0.379 0.000 2.425 401 W HA -0.146 4.253 4.660 -0.436 0.000 0.277 401 W C 2.369 178.708 176.519 -0.300 0.000 1.231 401 W CA 1.110 58.189 57.345 -0.443 0.000 1.248 401 W CB -0.789 28.448 29.460 -0.372 0.000 1.117 401 W HN -0.116 nan 8.180 nan 0.000 0.568 402 D N 0.046 120.424 120.400 -0.038 0.000 2.178 402 D HA -0.151 4.249 4.640 -0.399 0.000 0.201 402 D C 1.525 177.772 176.300 -0.088 0.000 0.980 402 D CA 1.095 55.083 54.000 -0.020 0.000 0.842 402 D CB -0.099 40.708 40.800 0.011 0.000 0.948 402 D HN 0.214 nan 8.370 nan 0.000 0.472 403 N N -0.702 117.880 118.700 -0.196 0.000 2.409 403 N HA -0.094 4.406 4.740 -0.399 0.000 0.174 403 N C 0.487 175.844 175.510 -0.256 0.000 1.037 403 N CA -0.034 52.894 53.050 -0.203 0.000 0.898 403 N CB -0.043 38.316 38.487 -0.212 0.000 1.010 403 N HN 0.193 nan 8.380 nan 0.000 0.445 404 Y N 2.488 122.386 120.300 -0.670 0.000 2.480 404 Y HA -0.085 4.230 4.550 -0.392 0.000 0.338 404 Y C 1.613 177.311 175.900 -0.337 0.000 1.220 404 Y CA -0.759 56.902 58.100 -0.732 0.000 1.430 404 Y CB 0.358 38.082 38.460 -1.226 0.000 1.311 404 Y HN 0.166 nan 8.280 nan 0.000 0.575 405 W N 3.168 124.046 121.300 -0.704 0.000 2.518 405 W HA 0.030 4.458 4.660 -0.385 0.000 0.273 405 W C -0.241 176.039 176.519 -0.399 0.000 1.247 405 W CA 0.242 57.293 57.345 -0.489 0.000 1.288 405 W CB -0.273 28.902 29.460 -0.475 0.000 1.107 405 W HN 0.495 nan 8.180 nan 0.000 0.586 406 Q N 1.576 120.511 119.800 -1.441 0.000 2.230 406 Q HA 0.400 4.501 4.340 -0.399 0.000 0.253 406 Q C -0.735 175.134 176.000 -0.219 0.000 0.919 406 Q CA -0.363 54.864 55.803 -0.959 0.000 0.908 406 Q CB 2.544 30.356 28.738 -1.542 0.000 1.245 406 Q HN -0.158 nan 8.270 nan 0.000 0.437 407 V N 2.377 122.221 119.914 -0.116 0.000 2.863 407 V HA 0.500 4.381 4.120 -0.399 0.000 0.307 407 V C 0.097 176.118 176.094 -0.121 0.000 1.061 407 V CA 0.030 62.295 62.300 -0.057 0.000 1.024 407 V CB 1.921 33.722 31.823 -0.036 0.000 1.049 407 V HN 0.933 nan 8.190 nan 0.000 0.471 408 T N 2.475 116.865 114.554 -0.273 0.000 2.816 408 T HA 0.404 4.514 4.350 -0.399 0.000 0.299 408 T C -2.055 172.509 174.700 -0.227 0.000 1.230 408 T CA -0.489 61.404 62.100 -0.344 0.000 1.007 408 T CB 1.238 69.627 68.868 -0.798 0.000 1.289 408 T HN 0.649 nan 8.240 nan 0.000 0.508 409 W N 3.876 124.985 121.300 -0.318 0.000 2.338 409 W HA 0.668 5.096 4.660 -0.387 0.000 0.307 409 W C -1.461 174.891 176.519 -0.279 0.000 1.167 409 W CA -0.976 56.224 57.345 -0.241 0.000 1.208 409 W CB 0.222 29.573 29.460 -0.183 0.000 1.228 409 W HN 0.470 nan 8.180 nan 0.000 0.499 410 I N 8.659 128.683 120.570 -0.910 0.000 2.560 410 I HA 0.338 4.268 4.170 -0.399 0.000 0.283 410 I C -1.960 173.630 176.117 -0.878 0.000 1.115 410 I CA -1.945 58.781 61.300 -0.956 0.000 1.066 410 I CB 0.974 38.698 38.000 -0.461 0.000 1.221 410 I HN 0.258 nan 8.210 nan 0.000 0.450 411 P HA 0.224 nan 4.420 nan 0.000 0.293 411 P C -0.773 176.441 177.300 -0.143 0.000 1.304 411 P CA -0.333 62.481 63.100 -0.477 0.000 0.767 411 P CB 0.601 32.080 31.700 -0.369 0.000 1.247 412 D N 0.222 120.608 120.400 -0.023 0.000 2.472 412 D HA -0.010 4.390 4.640 -0.399 0.000 0.237 412 D C -0.313 176.061 176.300 0.123 0.000 1.141 412 D CA 0.097 54.116 54.000 0.031 0.000 0.875 412 D CB 0.309 41.099 40.800 -0.016 0.000 1.192 412 D HN 0.484 nan 8.370 nan 0.000 0.450 413 W N 0.815 122.023 121.300 -0.153 0.000 3.018 413 W HA 0.558 5.091 4.660 -0.211 0.000 0.352 413 W C -1.599 174.868 176.519 -0.086 0.000 1.230 413 W CA -0.845 56.410 57.345 -0.151 0.000 1.162 413 W CB 0.651 29.959 29.460 -0.254 0.000 1.483 413 W HN 0.208 nan 8.180 nan 0.000 0.584 414 D N 0.660 121.096 120.400 0.060 0.000 2.601 414 D HA 0.408 4.808 4.640 -0.399 0.000 0.230 414 D C -1.332 175.122 176.300 0.256 0.000 1.106 414 D CA -0.477 53.504 54.000 -0.033 0.000 0.873 414 D CB 2.843 43.769 40.800 0.210 0.000 1.515 414 D HN 0.207 nan 8.370 nan 0.000 0.468 415 F N 2.445 122.373 119.950 -0.036 0.000 2.396 415 F HA 0.470 4.737 4.527 -0.435 0.000 0.343 415 F C -0.633 175.253 175.800 0.145 0.000 1.104 415 F CA -0.730 57.369 58.000 0.165 0.000 1.161 415 F CB 0.754 39.798 39.000 0.073 0.000 1.146 415 F HN 0.021 nan 8.300 nan 0.000 0.522 416 V N 2.082 121.699 119.914 -0.495 0.000 2.623 416 V HA 0.439 4.319 4.120 -0.399 0.000 0.304 416 V C -0.356 175.323 176.094 -0.691 0.000 1.054 416 V CA -0.799 61.157 62.300 -0.573 0.000 0.882 416 V CB 0.894 32.635 31.823 -0.137 0.000 1.002 416 V HN 0.756 nan 8.190 nan 0.000 0.424 417 S N 3.270 118.553 115.700 -0.695 0.000 4.027 417 S HA 0.118 4.349 4.470 -0.399 0.000 0.188 417 S C 0.699 175.242 174.600 -0.096 0.000 1.230 417 S CA 0.153 58.176 58.200 -0.295 0.000 0.920 417 S CB -0.813 62.286 63.200 -0.169 0.000 1.577 417 S HN 0.917 nan 8.310 nan 0.000 0.445 418 T N 5.583 120.119 114.554 -0.030 0.000 3.400 418 T HA 0.207 4.317 4.350 -0.399 0.000 0.364 418 T C -2.157 172.572 174.700 0.049 0.000 1.636 418 T CA -1.419 60.689 62.100 0.014 0.000 1.211 418 T CB 0.144 69.040 68.868 0.047 0.000 1.180 418 T HN 0.319 nan 8.240 nan 0.000 0.730 419 P HA 0.109 nan 4.420 nan 0.000 0.265 419 P C -2.590 174.714 177.300 0.008 0.000 1.187 419 P CA -0.959 62.163 63.100 0.036 0.000 0.766 419 P CB 0.048 31.762 31.700 0.023 0.000 0.820 420 P HA 0.264 nan 4.420 nan 0.000 0.284 420 P C -0.541 176.793 177.300 0.056 0.000 1.253 420 P CA -0.471 62.636 63.100 0.011 0.000 0.800 420 P CB 0.713 32.397 31.700 -0.027 0.000 0.961 421 L N 2.489 123.773 121.223 0.101 0.000 2.436 421 L HA 0.186 4.287 4.340 -0.399 0.000 0.265 421 L C 0.559 177.505 176.870 0.127 0.000 1.168 421 L CA -0.385 54.556 54.840 0.167 0.000 0.815 421 L CB 0.426 42.609 42.059 0.206 0.000 1.109 421 L HN 0.157 nan 8.230 nan 0.000 0.462 422 V N 3.315 123.335 119.914 0.176 0.000 2.432 422 V HA 0.465 4.346 4.120 -0.399 0.000 0.271 422 V C 0.153 176.295 176.094 0.080 0.000 1.046 422 V CA -0.479 61.911 62.300 0.150 0.000 0.945 422 V CB 0.502 32.464 31.823 0.231 0.000 0.992 422 V HN 0.847 nan 8.190 nan 0.000 0.471 423 R N 4.433 124.945 120.500 0.020 0.000 2.673 423 R HA 0.803 4.903 4.340 -0.399 0.000 0.281 423 R C -1.971 174.286 176.300 -0.072 0.000 0.991 423 R CA -0.985 55.104 56.100 -0.018 0.000 0.896 423 R CB 1.836 32.126 30.300 -0.018 0.000 1.201 423 R HN 0.456 nan 8.270 nan 0.000 0.457 424 L N 1.804 122.975 121.223 -0.086 0.000 2.346 424 L HA 0.686 4.787 4.340 -0.399 0.000 0.276 424 L C -0.762 176.041 176.870 -0.111 0.000 1.006 424 L CA -0.472 54.298 54.840 -0.116 0.000 0.817 424 L CB 2.074 44.059 42.059 -0.123 0.000 1.272 424 L HN 1.000 nan 8.230 nan 0.000 0.421 425 A N 4.645 127.316 122.820 -0.248 0.000 3.204 425 A HA 0.547 4.627 4.320 -0.399 0.000 0.327 425 A C -1.212 176.135 177.584 -0.395 0.000 0.998 425 A CA -0.230 51.649 52.037 -0.264 0.000 0.891 425 A CB -0.539 18.294 19.000 -0.279 0.000 1.061 425 A HN 0.398 nan 8.150 nan 0.000 0.478 426 F N 0.949 120.907 119.950 0.013 0.000 2.444 426 F HA 0.320 4.605 4.527 -0.404 0.000 0.342 426 F C 0.663 176.482 175.800 0.032 0.000 1.121 426 F CA -1.152 56.864 58.000 0.025 0.000 0.997 426 F CB 1.874 40.898 39.000 0.039 0.000 1.130 426 F HN 0.511 nan 8.300 nan 0.000 0.454 427 N N 2.821 121.698 118.700 0.293 0.000 2.389 427 N HA 0.150 4.650 4.740 -0.399 0.000 0.237 427 N C -0.633 174.981 175.510 0.173 0.000 1.148 427 N CA -0.001 53.155 53.050 0.177 0.000 0.854 427 N CB -0.320 38.244 38.487 0.130 0.000 1.115 427 N HN 0.430 nan 8.380 nan 0.000 0.492 428 L N 0.924 122.256 121.223 0.182 0.000 2.360 428 L HA 0.256 4.356 4.340 -0.399 0.000 0.276 428 L C 0.400 177.340 176.870 0.117 0.000 1.121 428 L CA -0.856 54.055 54.840 0.119 0.000 0.845 428 L CB 0.594 42.687 42.059 0.057 0.000 1.143 428 L HN 0.105 nan 8.230 nan 0.000 0.452 429 V N 0.100 120.100 119.914 0.143 0.000 2.850 429 V HA 0.640 4.521 4.120 -0.399 0.000 0.315 429 V C 0.864 177.083 176.094 0.209 0.000 1.064 429 V CA -0.285 62.099 62.300 0.139 0.000 0.979 429 V CB 1.484 33.371 31.823 0.107 0.000 1.039 429 V HN 0.758 nan 8.190 nan 0.000 0.452 430 G N 0.627 109.508 108.800 0.135 0.000 2.712 430 G HA2 0.155 3.875 3.960 -0.399 0.000 0.212 430 G HA3 0.155 3.875 3.960 -0.399 0.000 0.212 430 G C 0.215 175.183 174.900 0.113 0.000 1.142 430 G CA 0.275 45.468 45.100 0.155 0.000 0.789 430 G HN 0.782 nan 8.290 nan 0.000 0.535 431 D N -0.139 120.199 120.400 -0.104 0.000 2.601 431 D HA 0.296 4.696 4.640 -0.399 0.000 0.230 431 D C -2.742 173.035 176.300 -0.871 0.000 1.106 431 D CA -1.204 52.520 54.000 -0.461 0.000 0.873 431 D CB 2.421 43.085 40.800 -0.227 0.000 1.515 431 D HN -0.148 nan 8.370 nan 0.000 0.468 432 P HA 0.065 nan 4.420 nan 0.000 0.265 432 P C -0.057 177.065 177.300 -0.297 0.000 1.187 432 P CA 0.172 62.806 63.100 -0.776 0.000 0.766 432 P CB 0.666 32.111 31.700 -0.424 0.000 0.820 433 I N 5.099 125.595 120.570 -0.123 0.000 2.322 433 I HA 0.134 4.064 4.170 -0.399 0.000 0.292 433 I C -1.850 174.248 176.117 -0.031 0.000 1.060 433 I CA -2.242 59.029 61.300 -0.048 0.000 1.309 433 I CB 0.183 38.189 38.000 0.009 0.000 1.415 433 I HN 0.099 nan 8.210 nan 0.000 0.492 434 P HA -0.001 nan 4.420 nan 0.000 0.261 434 P C 0.967 178.263 177.300 -0.006 0.000 1.183 434 P CA 0.824 63.911 63.100 -0.022 0.000 0.761 434 P CB 0.601 32.288 31.700 -0.023 0.000 0.785 435 G N 2.411 111.211 108.800 -0.000 0.000 2.284 435 G HA2 -0.267 3.453 3.960 -0.399 0.000 0.247 435 G HA3 -0.267 3.453 3.960 -0.399 0.000 0.247 435 G C 0.519 175.429 174.900 0.017 0.000 1.012 435 G CA 0.045 45.150 45.100 0.007 0.000 0.618 435 G HN 0.866 nan 8.290 nan 0.000 0.521 436 A N 0.596 123.429 122.820 0.022 0.000 2.462 436 A HA 0.547 4.627 4.320 -0.399 0.000 0.243 436 A C 0.542 178.160 177.584 0.055 0.000 1.076 436 A CA 0.911 52.971 52.037 0.039 0.000 0.773 436 A CB 0.260 19.286 19.000 0.043 0.000 1.010 436 A HN 0.851 nan 8.150 nan 0.000 0.493 437 E N 1.083 121.330 120.200 0.077 0.000 2.392 437 E HA 0.224 4.335 4.350 -0.399 0.000 0.264 437 E C -0.640 176.040 176.600 0.134 0.000 1.024 437 E CA 0.084 56.531 56.400 0.080 0.000 0.903 437 E CB 0.443 30.199 29.700 0.093 0.000 0.963 437 E HN 0.553 nan 8.360 nan 0.000 0.432 438 T N 4.798 119.394 114.554 0.071 0.000 2.758 438 T HA 0.350 4.461 4.350 -0.399 0.000 0.285 438 T C -0.951 173.770 174.700 0.035 0.000 0.981 438 T CA -0.376 61.770 62.100 0.077 0.000 0.965 438 T CB 0.105 69.009 68.868 0.061 0.000 0.927 438 T HN 0.241 nan 8.240 nan 0.000 0.448 439 F N 2.455 122.294 119.950 -0.184 0.000 2.436 439 F HA 0.492 4.780 4.527 -0.398 0.000 0.340 439 F C -0.307 175.353 175.800 -0.234 0.000 1.113 439 F CA -1.191 56.714 58.000 -0.157 0.000 1.022 439 F CB 1.052 39.887 39.000 -0.274 0.000 1.128 439 F HN 0.493 nan 8.300 nan 0.000 0.466 440 Y N 1.363 121.760 120.300 0.161 0.000 2.331 440 Y HA 0.425 4.736 4.550 -0.398 0.000 0.338 440 Y C 0.425 176.432 175.900 0.178 0.000 0.976 440 Y CA -0.620 57.551 58.100 0.118 0.000 1.137 440 Y CB 1.667 40.153 38.460 0.044 0.000 1.172 440 Y HN 0.433 nan 8.280 nan 0.000 0.478 441 T N 3.292 117.990 114.554 0.240 0.000 2.859 441 T HA 0.479 4.590 4.350 -0.399 0.000 0.281 441 T C -1.276 173.533 174.700 0.182 0.000 1.005 441 T CA -0.449 61.794 62.100 0.239 0.000 1.025 441 T CB 1.049 70.060 68.868 0.237 0.000 0.977 441 T HN 0.612 nan 8.240 nan 0.000 0.458 442 D N -0.016 120.484 120.400 0.166 0.000 2.685 442 D HA 0.559 4.960 4.640 -0.399 0.000 0.236 442 D C -1.056 175.310 176.300 0.109 0.000 1.233 442 D CA -0.196 53.875 54.000 0.118 0.000 0.760 442 D CB 1.535 42.383 40.800 0.080 0.000 1.410 442 D HN 0.783 nan 8.370 nan 0.000 0.439 443 G N 0.400 109.258 108.800 0.096 0.000 2.701 443 G HA2 0.572 4.292 3.960 -0.399 0.000 0.300 443 G HA3 0.572 4.292 3.960 -0.399 0.000 0.300 443 G C -0.906 174.038 174.900 0.075 0.000 1.410 443 G CA -0.430 44.722 45.100 0.086 0.000 1.014 443 G HN 0.550 nan 8.290 nan 0.000 0.509 444 S N -0.922 114.817 115.700 0.065 0.000 2.704 444 S HA 0.816 5.046 4.470 -0.399 0.000 0.305 444 S C -0.645 173.984 174.600 0.048 0.000 1.107 444 S CA -0.967 57.270 58.200 0.060 0.000 0.993 444 S CB 1.919 65.155 63.200 0.059 0.000 1.110 444 S HN 1.488 nan 8.310 nan 0.000 0.534 445 C N 2.367 121.692 119.300 0.042 0.000 2.811 445 C HA 0.531 4.751 4.460 -0.399 0.000 0.352 445 C C -1.028 173.978 174.990 0.026 0.000 1.098 445 C CA -0.651 58.386 59.018 0.032 0.000 1.295 445 C CB 0.742 28.499 27.740 0.028 0.000 1.758 445 C HN 1.024 nan 8.230 nan 0.000 0.488 446 N N 4.089 122.801 118.700 0.021 0.000 2.411 446 N HA 0.208 4.708 4.740 -0.399 0.000 0.259 446 N C 1.310 176.828 175.510 0.013 0.000 1.103 446 N CA 0.087 53.147 53.050 0.016 0.000 0.954 446 N CB 0.793 39.288 38.487 0.013 0.000 1.085 446 N HN 0.788 nan 8.380 nan 0.000 0.485 447 R N 2.751 123.258 120.500 0.011 0.000 2.133 447 R HA -0.205 3.895 4.340 -0.399 0.000 0.247 447 R C 1.298 177.602 176.300 0.006 0.000 1.151 447 R CA 1.776 57.881 56.100 0.008 0.000 0.971 447 R CB 0.051 30.354 30.300 0.006 0.000 0.866 447 R HN 0.696 nan 8.270 nan 0.000 0.447 448 Q N -0.470 119.333 119.800 0.006 0.000 2.297 448 Q HA 0.017 4.117 4.340 -0.399 0.000 0.203 448 Q C 1.929 177.933 176.000 0.006 0.000 0.931 448 Q CA 1.231 57.037 55.803 0.005 0.000 0.885 448 Q CB 0.564 29.305 28.738 0.004 0.000 0.991 448 Q HN 0.352 nan 8.270 nan 0.000 0.498 449 S N -0.603 115.102 115.700 0.007 0.000 2.511 449 S HA 0.142 4.372 4.470 -0.399 0.000 0.214 449 S C 0.505 175.111 174.600 0.009 0.000 0.997 449 S CA -0.103 58.101 58.200 0.008 0.000 0.908 449 S CB 0.377 63.582 63.200 0.007 0.000 0.803 449 S HN 0.053 nan 8.310 nan 0.000 0.504 450 K N 0.944 121.350 120.400 0.011 0.000 3.160 450 K HA -0.162 3.919 4.320 -0.399 0.000 0.280 450 K C -0.299 176.310 176.600 0.015 0.000 1.154 450 K CA 1.094 57.388 56.287 0.013 0.000 0.822 450 K CB -2.146 30.361 32.500 0.012 0.000 1.239 450 K HN 0.856 nan 8.250 nan 0.000 0.489 451 E N -0.566 119.643 120.200 0.015 0.000 2.175 451 E HA 0.596 4.706 4.350 -0.399 0.000 0.278 451 E C 0.501 177.113 176.600 0.020 0.000 0.969 451 E CA -0.154 56.256 56.400 0.016 0.000 0.796 451 E CB 0.996 30.704 29.700 0.013 0.000 1.104 451 E HN 0.325 nan 8.360 nan 0.000 0.395 452 G N 2.986 111.799 108.800 0.023 0.000 2.827 452 G HA2 0.551 4.271 3.960 -0.399 0.000 0.296 452 G HA3 0.551 4.271 3.960 -0.399 0.000 0.296 452 G C -1.378 173.538 174.900 0.028 0.000 1.362 452 G CA -0.702 44.415 45.100 0.028 0.000 0.809 452 G HN 0.444 nan 8.290 nan 0.000 0.522 453 K N -1.026 119.394 120.400 0.034 0.000 2.527 453 K HA 0.686 4.766 4.320 -0.399 0.000 0.260 453 K C -1.261 175.364 176.600 0.041 0.000 0.937 453 K CA -0.706 55.599 56.287 0.030 0.000 0.826 453 K CB 2.760 35.274 32.500 0.023 0.000 1.359 453 K HN 0.788 nan 8.250 nan 0.000 0.434 454 A N 1.112 123.955 122.820 0.038 0.000 2.374 454 A HA 0.903 4.983 4.320 -0.399 0.000 0.305 454 A C -0.615 176.988 177.584 0.032 0.000 1.053 454 A CA -0.417 51.653 52.037 0.056 0.000 0.726 454 A CB 1.727 20.770 19.000 0.072 0.000 1.229 454 A HN 0.782 nan 8.150 nan 0.000 0.431 455 G N -0.016 108.813 108.800 0.049 0.000 2.606 455 G HA2 0.732 4.452 3.960 -0.399 0.000 0.300 455 G HA3 0.732 4.452 3.960 -0.399 0.000 0.300 455 G C -1.310 173.656 174.900 0.111 0.000 1.360 455 G CA 0.002 45.090 45.100 -0.020 0.000 0.783 455 G HN 1.758 nan 8.290 nan 0.000 0.484 456 Y N -2.868 117.502 120.300 0.116 0.000 2.638 456 Y HA 0.818 5.128 4.550 -0.399 0.000 0.335 456 Y C -1.366 174.587 175.900 0.087 0.000 1.155 456 Y CA -1.494 56.698 58.100 0.152 0.000 1.046 456 Y CB 1.758 40.389 38.460 0.284 0.000 1.303 456 Y HN 0.552 nan 8.280 nan 0.000 0.460 457 V N 1.517 121.676 119.914 0.409 0.000 2.841 457 V HA 0.719 4.600 4.120 -0.399 0.000 0.310 457 V C -0.496 175.680 176.094 0.136 0.000 1.090 457 V CA -0.083 62.341 62.300 0.206 0.000 0.930 457 V CB 2.293 34.163 31.823 0.080 0.000 1.014 457 V HN 1.101 nan 8.190 nan 0.000 0.425 458 T N -1.324 113.201 114.554 -0.048 0.000 2.916 458 T HA 0.385 4.495 4.350 -0.399 0.000 0.292 458 T C 0.338 174.993 174.700 -0.075 0.000 1.064 458 T CA -0.236 61.739 62.100 -0.209 0.000 1.011 458 T CB 1.832 70.275 68.868 -0.709 0.000 1.152 458 T HN 0.747 nan 8.240 nan 0.000 0.510 459 D N -0.022 120.366 120.400 -0.020 0.000 2.352 459 D HA -0.017 4.384 4.640 -0.399 0.000 0.232 459 D C 1.120 177.399 176.300 -0.035 0.000 1.055 459 D CA 0.005 54.009 54.000 0.007 0.000 0.891 459 D CB -0.023 40.823 40.800 0.076 0.000 0.897 459 D HN 0.537 nan 8.370 nan 0.000 0.529 460 R N -0.777 119.676 120.500 -0.080 0.000 2.546 460 R HA 0.328 4.428 4.340 -0.399 0.000 0.320 460 R C 1.196 177.460 176.300 -0.059 0.000 1.021 460 R CA 0.459 56.520 56.100 -0.064 0.000 1.088 460 R CB 0.529 30.784 30.300 -0.074 0.000 1.278 460 R HN 0.228 nan 8.270 nan 0.000 0.557 461 G N 1.250 110.015 108.800 -0.059 0.000 2.253 461 G HA2 -0.367 3.353 3.960 -0.399 0.000 0.251 461 G HA3 -0.367 3.353 3.960 -0.399 0.000 0.251 461 G C 0.026 174.907 174.900 -0.032 0.000 0.998 461 G CA 0.537 45.612 45.100 -0.041 0.000 0.621 461 G HN 0.414 nan 8.290 nan 0.000 0.524 462 K N 1.178 121.551 120.400 -0.044 0.000 2.107 462 K HA 0.600 4.680 4.320 -0.399 0.000 0.251 462 K C -0.381 176.264 176.600 0.076 0.000 1.012 462 K CA 0.096 56.392 56.287 0.015 0.000 0.920 462 K CB 1.122 33.646 32.500 0.040 0.000 1.033 462 K HN 0.475 nan 8.250 nan 0.000 0.478 463 D N -0.285 120.172 120.400 0.095 0.000 2.663 463 D HA 0.293 4.693 4.640 -0.399 0.000 0.233 463 D C -1.471 174.707 176.300 -0.204 0.000 1.240 463 D CA -0.810 53.187 54.000 -0.005 0.000 0.774 463 D CB 2.015 42.800 40.800 -0.024 0.000 1.443 463 D HN 0.641 nan 8.370 nan 0.000 0.441 464 K N 0.578 120.655 120.400 -0.539 0.000 2.562 464 K HA 0.557 4.637 4.320 -0.399 0.000 0.267 464 K C -2.138 174.228 176.600 -0.390 0.000 0.938 464 K CA -0.684 55.321 56.287 -0.470 0.000 0.840 464 K CB 2.421 34.550 32.500 -0.620 0.000 1.390 464 K HN 0.363 nan 8.250 nan 0.000 0.428 465 V N 2.123 121.918 119.914 -0.199 0.000 2.925 465 V HA 0.550 4.431 4.120 -0.399 0.000 0.311 465 V C -1.189 174.864 176.094 -0.069 0.000 1.104 465 V CA -0.922 61.308 62.300 -0.116 0.000 0.954 465 V CB 1.915 33.698 31.823 -0.067 0.000 1.022 465 V HN 0.772 nan 8.190 nan 0.000 0.427 466 K N 3.277 123.655 120.400 -0.036 0.000 2.471 466 K HA 0.527 4.607 4.320 -0.399 0.000 0.252 466 K C -0.472 176.131 176.600 0.004 0.000 0.938 466 K CA -0.748 55.533 56.287 -0.010 0.000 0.796 466 K CB 1.634 34.136 32.500 0.003 0.000 1.161 466 K HN 0.810 nan 8.250 nan 0.000 0.425 467 K N 4.833 125.237 120.400 0.006 0.000 2.298 467 K HA 0.306 4.387 4.320 -0.399 0.000 0.280 467 K C -0.717 175.893 176.600 0.017 0.000 1.032 467 K CA -0.467 55.827 56.287 0.011 0.000 0.958 467 K CB 0.641 33.146 32.500 0.008 0.000 0.978 467 K HN 0.369 nan 8.250 nan 0.000 0.472 468 L N 1.555 122.791 121.223 0.021 0.000 2.341 468 L HA 0.471 4.571 4.340 -0.399 0.000 0.267 468 L C -0.287 176.596 176.870 0.022 0.000 1.009 468 L CA -1.122 53.733 54.840 0.025 0.000 0.819 468 L CB 2.015 44.094 42.059 0.033 0.000 1.323 468 L HN 0.656 nan 8.230 nan 0.000 0.425 469 E N 1.042 121.255 120.200 0.022 0.000 2.288 469 E HA 0.266 4.376 4.350 -0.399 0.000 0.268 469 E C -0.946 175.666 176.600 0.020 0.000 0.885 469 E CA -0.857 55.555 56.400 0.019 0.000 0.767 469 E CB 1.974 31.683 29.700 0.016 0.000 1.220 469 E HN 0.434 nan 8.360 nan 0.000 0.427 470 Q N -0.127 119.683 119.800 0.018 0.000 2.453 470 Q HA -0.190 3.911 4.340 -0.399 0.000 0.294 470 Q C -0.177 175.836 176.000 0.021 0.000 1.295 470 Q CA 1.292 57.106 55.803 0.018 0.000 0.853 470 Q CB -1.495 27.253 28.738 0.017 0.000 1.193 470 Q HN 0.612 nan 8.270 nan 0.000 0.461 471 T N -2.046 112.522 114.554 0.023 0.000 2.893 471 T HA 0.836 4.946 4.350 -0.399 0.000 0.281 471 T C 0.051 174.764 174.700 0.022 0.000 1.027 471 T CA 0.396 62.513 62.100 0.028 0.000 0.953 471 T CB 1.172 70.060 68.868 0.034 0.000 1.434 471 T HN 0.510 nan 8.240 nan 0.000 0.597 472 T N -0.828 113.740 114.554 0.023 0.000 2.843 472 T HA 0.400 4.511 4.350 -0.399 0.000 0.302 472 T C 0.771 175.481 174.700 0.016 0.000 1.232 472 T CA -0.910 61.197 62.100 0.011 0.000 1.009 472 T CB 1.171 70.036 68.868 -0.005 0.000 1.254 472 T HN 0.491 nan 8.240 nan 0.000 0.504 473 N N 0.833 119.537 118.700 0.007 0.000 2.021 473 N HA -0.186 4.314 4.740 -0.399 0.000 0.198 473 N C 1.857 177.380 175.510 0.021 0.000 1.041 473 N CA 2.037 55.098 53.050 0.018 0.000 0.862 473 N CB -0.339 38.154 38.487 0.010 0.000 1.048 473 N HN 0.685 nan 8.380 nan 0.000 0.427 474 Q N 0.793 120.572 119.800 -0.035 0.000 2.096 474 Q HA -0.153 3.948 4.340 -0.399 0.000 0.204 474 Q C 2.131 178.182 176.000 0.085 0.000 0.982 474 Q CA 1.194 56.972 55.803 -0.041 0.000 0.850 474 Q CB -0.219 28.320 28.738 -0.332 0.000 0.901 474 Q HN 0.498 nan 8.270 nan 0.000 0.422 475 Q N -0.152 119.684 119.800 0.060 0.000 2.084 475 Q HA -0.145 3.956 4.340 -0.399 0.000 0.202 475 Q C 2.116 178.173 176.000 0.096 0.000 0.978 475 Q CA 1.223 57.081 55.803 0.091 0.000 0.844 475 Q CB -0.112 28.665 28.738 0.065 0.000 0.898 475 Q HN 0.383 nan 8.270 nan 0.000 0.426 476 A N 1.071 123.938 122.820 0.079 0.000 1.902 476 A HA -0.203 3.877 4.320 -0.399 0.000 0.217 476 A C 1.878 179.527 177.584 0.108 0.000 1.181 476 A CA 1.266 53.352 52.037 0.082 0.000 0.623 476 A CB -0.354 18.686 19.000 0.067 0.000 0.818 476 A HN 0.254 nan 8.150 nan 0.000 0.443 477 E N 0.136 120.407 120.200 0.119 0.000 2.058 477 E HA -0.191 3.920 4.350 -0.399 0.000 0.194 477 E C 2.069 178.771 176.600 0.170 0.000 0.997 477 E CA 1.286 57.773 56.400 0.146 0.000 0.801 477 E CB -0.499 29.298 29.700 0.161 0.000 0.746 477 E HN 0.682 nan 8.360 nan 0.000 0.450 478 L N 0.653 121.977 121.223 0.168 0.000 2.093 478 L HA -0.182 3.918 4.340 -0.399 0.000 0.208 478 L C 2.570 179.548 176.870 0.179 0.000 1.085 478 L CA 1.099 56.037 54.840 0.162 0.000 0.755 478 L CB -0.324 41.821 42.059 0.143 0.000 0.904 478 L HN 0.078 nan 8.230 nan 0.000 0.435 479 E N 0.598 120.884 120.200 0.144 0.000 2.153 479 E HA -0.198 3.913 4.350 -0.399 0.000 0.194 479 E C 2.084 178.767 176.600 0.139 0.000 0.988 479 E CA 1.412 57.887 56.400 0.124 0.000 0.811 479 E CB -0.031 29.726 29.700 0.096 0.000 0.746 479 E HN 0.382 nan 8.360 nan 0.000 0.466 480 A N -0.245 122.672 122.820 0.162 0.000 1.898 480 A HA -0.090 3.990 4.320 -0.399 0.000 0.216 480 A C 2.148 179.852 177.584 0.201 0.000 1.181 480 A CA 1.220 53.368 52.037 0.185 0.000 0.620 480 A CB -0.916 18.195 19.000 0.185 0.000 0.819 480 A HN 0.441 nan 8.150 nan 0.000 0.442 481 F N 1.084 121.070 119.950 0.061 0.000 2.134 481 F HA -0.097 4.191 4.527 -0.400 0.000 0.299 481 F C 2.536 178.324 175.800 -0.021 0.000 1.097 481 F CA 1.109 59.112 58.000 0.006 0.000 1.264 481 F CB -0.431 38.557 39.000 -0.019 0.000 1.001 481 F HN 0.255 nan 8.300 nan 0.000 0.479 482 A N 0.518 123.396 122.820 0.097 0.000 1.883 482 A HA -0.250 3.830 4.320 -0.399 0.000 0.217 482 A C 2.299 179.849 177.584 -0.057 0.000 1.186 482 A CA 2.142 54.186 52.037 0.011 0.000 0.624 482 A CB -0.885 18.164 19.000 0.082 0.000 0.822 482 A HN 0.497 nan 8.150 nan 0.000 0.444 483 M N -0.525 119.096 119.600 0.036 0.000 2.082 483 M HA -0.218 4.022 4.480 -0.399 0.000 0.258 483 M C 2.546 178.848 176.300 0.004 0.000 1.069 483 M CA 1.663 57.034 55.300 0.117 0.000 1.102 483 M CB -0.518 32.241 32.600 0.264 0.000 1.336 483 M HN 0.500 nan 8.290 nan 0.000 0.404 484 A N 0.465 123.173 122.820 -0.186 0.000 1.877 484 A HA -0.138 3.942 4.320 -0.399 0.000 0.216 484 A C 2.120 179.138 177.584 -0.942 0.000 1.186 484 A CA 1.478 53.042 52.037 -0.789 0.000 0.620 484 A CB -0.973 17.599 19.000 -0.713 0.000 0.822 484 A HN 0.456 nan 8.150 nan 0.000 0.443 485 L N -0.883 119.936 121.223 -0.674 0.000 2.046 485 L HA -0.174 3.927 4.340 -0.399 0.000 0.208 485 L C 2.800 179.470 176.870 -0.334 0.000 1.077 485 L CA 1.818 56.349 54.840 -0.516 0.000 0.747 485 L CB -0.831 40.988 42.059 -0.400 0.000 0.896 485 L HN 0.345 nan 8.230 nan 0.000 0.432 486 T N -1.098 113.317 114.554 -0.230 0.000 2.788 486 T HA -0.141 3.969 4.350 -0.399 0.000 0.268 486 T C 0.877 175.519 174.700 -0.096 0.000 1.044 486 T CA 1.319 63.351 62.100 -0.114 0.000 1.139 486 T CB -0.146 68.700 68.868 -0.037 0.000 0.867 486 T HN 0.263 nan 8.240 nan 0.000 0.454 487 D N 1.530 121.849 120.400 -0.134 0.000 2.427 487 D HA 0.181 4.582 4.640 -0.399 0.000 0.224 487 D C 0.257 176.528 176.300 -0.048 0.000 1.157 487 D CA -0.021 53.967 54.000 -0.020 0.000 0.828 487 D CB 0.118 41.022 40.800 0.173 0.000 0.974 487 D HN 0.405 nan 8.370 nan 0.000 0.498 488 S N -1.520 114.047 115.700 -0.220 0.000 2.638 488 S HA 0.768 4.998 4.470 -0.399 0.000 0.302 488 S C 0.696 175.247 174.600 -0.082 0.000 1.096 488 S CA -0.947 57.153 58.200 -0.168 0.000 0.953 488 S CB 2.133 65.022 63.200 -0.519 0.000 1.107 488 S HN 0.036 nan 8.310 nan 0.000 0.503 489 G N 0.573 109.363 108.800 -0.016 0.000 2.583 489 G HA2 0.405 4.126 3.960 -0.399 0.000 0.275 489 G HA3 0.405 4.126 3.960 -0.399 0.000 0.275 489 G C -1.415 173.466 174.900 -0.031 0.000 1.342 489 G CA -1.309 43.784 45.100 -0.011 0.000 1.030 489 G HN 0.598 nan 8.290 nan 0.000 0.520 490 P HA 0.026 nan 4.420 nan 0.000 0.230 490 P C 0.128 177.423 177.300 -0.009 0.000 1.158 490 P CA 1.131 64.222 63.100 -0.015 0.000 0.769 490 P CB 0.357 32.053 31.700 -0.007 0.000 0.807 491 K N -0.122 120.276 120.400 -0.004 0.000 2.426 491 K HA 0.572 4.653 4.320 -0.399 0.000 0.254 491 K C -1.431 175.174 176.600 0.008 0.000 0.936 491 K CA -0.742 55.550 56.287 0.008 0.000 0.801 491 K CB 3.144 35.654 32.500 0.017 0.000 1.139 491 K HN -0.256 nan 8.250 nan 0.000 0.424 492 V N 2.788 122.705 119.914 0.005 0.000 3.048 492 V HA 0.398 4.279 4.120 -0.399 0.000 0.303 492 V C -1.827 174.289 176.094 0.037 0.000 1.214 492 V CA -0.815 61.486 62.300 0.001 0.000 0.984 492 V CB 2.389 34.133 31.823 -0.132 0.000 1.054 492 V HN 0.762 nan 8.190 nan 0.000 0.430 493 N N 5.465 124.214 118.700 0.081 0.000 2.400 493 N HA 0.663 5.164 4.740 -0.399 0.000 0.288 493 N C -1.151 174.370 175.510 0.019 0.000 1.024 493 N CA -0.199 52.926 53.050 0.126 0.000 0.894 493 N CB 2.256 40.857 38.487 0.189 0.000 1.173 493 N HN 0.595 nan 8.380 nan 0.000 0.487 494 I N 2.569 123.105 120.570 -0.056 0.000 2.499 494 I HA 0.374 4.304 4.170 -0.399 0.000 0.288 494 I C -0.639 175.398 176.117 -0.133 0.000 1.048 494 I CA -0.712 60.529 61.300 -0.099 0.000 1.062 494 I CB 2.035 39.966 38.000 -0.115 0.000 1.238 494 I HN 0.180 nan 8.210 nan 0.000 0.426 495 I N 7.109 127.536 120.570 -0.238 0.000 2.355 495 I HA 0.388 4.319 4.170 -0.399 0.000 0.288 495 I C 0.186 176.261 176.117 -0.070 0.000 0.999 495 I CA -0.605 60.554 61.300 -0.235 0.000 1.163 495 I CB 1.474 39.171 38.000 -0.506 0.000 1.316 495 I HN 0.277 nan 8.210 nan 0.000 0.454 496 V N 3.317 123.237 119.914 0.011 0.000 3.096 496 V HA 0.721 4.602 4.120 -0.399 0.000 0.319 496 V C 0.106 176.197 176.094 -0.005 0.000 1.103 496 V CA -0.569 61.776 62.300 0.075 0.000 1.016 496 V CB 2.130 34.033 31.823 0.133 0.000 1.090 496 V HN 0.755 nan 8.190 nan 0.000 0.449 497 D N -0.203 120.208 120.400 0.020 0.000 2.563 497 D HA 0.211 4.611 4.640 -0.399 0.000 0.237 497 D C 0.336 176.812 176.300 0.295 0.000 1.282 497 D CA 0.330 54.252 54.000 -0.130 0.000 0.816 497 D CB 0.216 40.894 40.800 -0.204 0.000 1.066 497 D HN 0.658 nan 8.370 nan 0.000 0.501 498 S N 0.287 116.221 115.700 0.391 0.000 2.498 498 S HA 0.151 4.382 4.470 -0.399 0.000 0.324 498 S C 0.920 175.663 174.600 0.238 0.000 1.071 498 S CA -0.518 57.876 58.200 0.324 0.000 1.113 498 S CB 1.294 64.620 63.200 0.210 0.000 0.976 498 S HN -0.016 nan 8.310 nan 0.000 0.462 499 Q N 3.099 122.928 119.800 0.049 0.000 2.226 499 Q HA -0.119 3.982 4.340 -0.399 0.000 0.204 499 Q C 1.067 176.995 176.000 -0.120 0.000 0.975 499 Q CA 1.289 56.928 55.803 -0.273 0.000 0.866 499 Q CB -0.319 28.151 28.738 -0.447 0.000 0.915 499 Q HN 0.973 nan 8.270 nan 0.000 0.440 500 Y N 1.062 121.296 120.300 -0.109 0.000 2.070 500 Y HA -0.251 4.059 4.550 -0.399 0.000 0.279 500 Y C 2.217 178.040 175.900 -0.130 0.000 1.134 500 Y CA 1.490 59.535 58.100 -0.093 0.000 1.113 500 Y CB -0.551 37.884 38.460 -0.042 0.000 0.981 500 Y HN -0.160 nan 8.280 nan 0.000 0.487 501 V N 0.456 120.234 119.914 -0.227 0.000 2.324 501 V HA -0.379 3.502 4.120 -0.399 0.000 0.250 501 V C 2.443 178.259 176.094 -0.463 0.000 1.060 501 V CA 2.299 64.352 62.300 -0.412 0.000 1.042 501 V CB -0.871 30.802 31.823 -0.250 0.000 0.650 501 V HN 0.523 nan 8.190 nan 0.000 0.450 502 M N 1.164 120.586 119.600 -0.296 0.000 2.086 502 M HA -0.054 4.187 4.480 -0.399 0.000 0.261 502 M C 2.002 178.129 176.300 -0.288 0.000 1.067 502 M CA 2.199 57.337 55.300 -0.271 0.000 1.116 502 M CB -1.159 31.326 32.600 -0.192 0.000 1.348 502 M HN 0.300 nan 8.290 nan 0.000 0.407 503 G N 0.035 108.662 108.800 -0.289 0.000 2.433 503 G HA2 -0.190 3.530 3.960 -0.399 0.000 0.216 503 G HA3 -0.190 3.530 3.960 -0.399 0.000 0.216 503 G C 1.577 176.337 174.900 -0.233 0.000 1.186 503 G CA 1.197 46.154 45.100 -0.238 0.000 0.779 503 G HN 0.528 nan 8.290 nan 0.000 0.543 504 I N 0.406 120.737 120.570 -0.398 0.000 2.163 504 I HA -0.197 3.733 4.170 -0.399 0.000 0.243 504 I C 2.796 178.690 176.117 -0.372 0.000 1.085 504 I CA 0.782 61.809 61.300 -0.456 0.000 1.347 504 I CB -0.350 37.219 38.000 -0.719 0.000 1.044 504 I HN 0.036 nan 8.210 nan 0.000 0.408 505 V N 1.014 120.673 119.914 -0.425 0.000 2.407 505 V HA -0.271 3.609 4.120 -0.399 0.000 0.248 505 V C 2.690 178.612 176.094 -0.286 0.000 1.055 505 V CA 1.878 63.937 62.300 -0.402 0.000 1.049 505 V CB -0.889 30.647 31.823 -0.479 0.000 0.662 505 V HN 0.498 nan 8.190 nan 0.000 0.455 506 A N 0.639 123.343 122.820 -0.194 0.000 1.933 506 A HA -0.181 3.899 4.320 -0.399 0.000 0.218 506 A C 2.402 180.012 177.584 0.044 0.000 1.175 506 A CA 1.942 53.930 52.037 -0.081 0.000 0.628 506 A CB -0.681 18.287 19.000 -0.053 0.000 0.814 506 A HN 0.693 nan 8.150 nan 0.000 0.444 507 S N -0.196 115.565 115.700 0.101 0.000 2.603 507 S HA -0.033 4.198 4.470 -0.399 0.000 0.229 507 S C 0.489 175.195 174.600 0.176 0.000 0.972 507 S CA 0.561 58.932 58.200 0.285 0.000 0.935 507 S CB -0.833 62.543 63.200 0.294 0.000 0.769 507 S HN 0.612 nan 8.310 nan 0.000 0.536 508 Q N 1.631 121.403 119.800 -0.046 0.000 2.417 508 Q HA -0.128 3.973 4.340 -0.399 0.000 0.368 508 Q C -2.271 173.703 176.000 -0.044 0.000 1.359 508 Q CA 0.330 55.978 55.803 -0.258 0.000 1.122 508 Q CB -1.593 27.155 28.738 0.017 0.000 1.295 508 Q HN 0.573 nan 8.270 nan 0.000 0.337 509 P HA -0.022 nan 4.420 nan 0.000 0.274 509 P C 0.481 177.865 177.300 0.141 0.000 1.231 509 P CA 0.243 63.363 63.100 0.034 0.000 0.790 509 P CB 1.270 32.980 31.700 0.016 0.000 0.951 510 T N -2.255 112.352 114.554 0.089 0.000 3.016 510 T HA 0.317 4.428 4.350 -0.399 0.000 0.271 510 T C 0.114 174.854 174.700 0.067 0.000 0.968 510 T CA -0.089 62.063 62.100 0.086 0.000 0.891 510 T CB 0.115 68.998 68.868 0.025 0.000 1.149 510 T HN 0.390 nan 8.240 nan 0.000 0.524 511 E N 0.435 120.682 120.200 0.077 0.000 2.343 511 E HA 0.715 4.826 4.350 -0.399 0.000 0.278 511 E C -1.510 175.153 176.600 0.106 0.000 0.910 511 E CA -0.542 55.906 56.400 0.080 0.000 0.757 511 E CB 2.495 32.242 29.700 0.078 0.000 1.218 511 E HN 0.149 nan 8.360 nan 0.000 0.435 512 S N 0.810 116.569 115.700 0.100 0.000 2.567 512 S HA 0.160 4.390 4.470 -0.399 0.000 0.270 512 S C -0.280 174.374 174.600 0.090 0.000 1.152 512 S CA -0.553 57.719 58.200 0.121 0.000 0.835 512 S CB 1.646 64.942 63.200 0.159 0.000 1.115 512 S HN 0.685 nan 8.310 nan 0.000 0.459 513 E N 1.259 121.511 120.200 0.087 0.000 2.250 513 E HA 0.116 4.226 4.350 -0.399 0.000 0.192 513 E C 0.476 177.120 176.600 0.073 0.000 0.986 513 E CA 0.235 56.675 56.400 0.066 0.000 0.849 513 E CB 0.131 29.863 29.700 0.053 0.000 0.797 513 E HN 0.478 nan 8.360 nan 0.000 0.482 514 S N 0.602 116.361 115.700 0.098 0.000 2.549 514 S HA -0.003 4.228 4.470 -0.399 0.000 0.283 514 S C 0.850 175.499 174.600 0.082 0.000 1.320 514 S CA -0.229 58.030 58.200 0.098 0.000 1.058 514 S CB 1.161 64.442 63.200 0.136 0.000 0.882 514 S HN 0.265 nan 8.310 nan 0.000 0.498 515 K N 3.295 123.737 120.400 0.069 0.000 2.103 515 K HA -0.076 4.005 4.320 -0.399 0.000 0.204 515 K C 1.780 178.418 176.600 0.063 0.000 1.052 515 K CA 1.191 57.513 56.287 0.059 0.000 0.945 515 K CB -0.193 32.337 32.500 0.050 0.000 0.722 515 K HN 0.721 nan 8.250 nan 0.000 0.443 516 I N 0.794 121.407 120.570 0.072 0.000 2.286 516 I HA -0.189 3.742 4.170 -0.399 0.000 0.245 516 I C 1.752 177.916 176.117 0.078 0.000 1.104 516 I CA 1.000 62.346 61.300 0.076 0.000 1.397 516 I CB -0.045 38.007 38.000 0.086 0.000 1.072 516 I HN -0.084 nan 8.210 nan 0.000 0.417 517 V N 0.966 120.925 119.914 0.076 0.000 2.407 517 V HA -0.281 3.599 4.120 -0.399 0.000 0.248 517 V C 2.195 178.326 176.094 0.062 0.000 1.055 517 V CA 2.141 64.472 62.300 0.053 0.000 1.049 517 V CB -1.150 30.707 31.823 0.057 0.000 0.662 517 V HN 0.450 nan 8.190 nan 0.000 0.455 518 N N -0.245 118.497 118.700 0.069 0.000 2.244 518 N HA -0.151 4.350 4.740 -0.399 0.000 0.183 518 N C 1.926 177.473 175.510 0.063 0.000 1.016 518 N CA 1.087 54.177 53.050 0.066 0.000 0.866 518 N CB -0.136 38.386 38.487 0.058 0.000 0.980 518 N HN 0.577 nan 8.380 nan 0.000 0.430 519 Q N -0.105 119.732 119.800 0.061 0.000 2.079 519 Q HA -0.014 4.086 4.340 -0.399 0.000 0.200 519 Q C 1.882 177.921 176.000 0.065 0.000 0.974 519 Q CA 0.861 56.697 55.803 0.054 0.000 0.840 519 Q CB -0.013 28.755 28.738 0.051 0.000 0.898 519 Q HN 0.433 nan 8.270 nan 0.000 0.430 520 I N 0.687 121.309 120.570 0.087 0.000 2.208 520 I HA -0.305 3.625 4.170 -0.399 0.000 0.245 520 I C 2.158 178.355 176.117 0.134 0.000 1.097 520 I CA 1.258 62.633 61.300 0.125 0.000 1.363 520 I CB -0.218 37.876 38.000 0.157 0.000 1.051 520 I HN 0.211 nan 8.210 nan 0.000 0.413 521 I N 0.119 120.763 120.570 0.124 0.000 2.252 521 I HA -0.232 3.698 4.170 -0.399 0.000 0.245 521 I C 2.549 178.753 176.117 0.145 0.000 1.102 521 I CA 1.122 62.531 61.300 0.180 0.000 1.385 521 I CB -0.517 37.572 38.000 0.148 0.000 1.064 521 I HN 0.222 nan 8.210 nan 0.000 0.414 522 E N 0.966 121.216 120.200 0.084 0.000 2.049 522 E HA -0.234 3.876 4.350 -0.399 0.000 0.198 522 E C 2.077 178.700 176.600 0.039 0.000 1.007 522 E CA 1.328 57.756 56.400 0.046 0.000 0.809 522 E CB -0.286 29.433 29.700 0.033 0.000 0.749 522 E HN 0.503 nan 8.360 nan 0.000 0.450 523 E N 0.421 120.646 120.200 0.041 0.000 2.072 523 E HA -0.084 4.027 4.350 -0.399 0.000 0.191 523 E C 2.179 178.802 176.600 0.040 0.000 0.985 523 E CA 0.637 57.045 56.400 0.014 0.000 0.801 523 E CB -0.318 29.368 29.700 -0.023 0.000 0.750 523 E HN 0.325 nan 8.360 nan 0.000 0.452 524 M N 0.231 119.904 119.600 0.122 0.000 2.202 524 M HA -0.131 4.110 4.480 -0.399 0.000 0.262 524 M C 2.284 178.709 176.300 0.208 0.000 1.063 524 M CA 1.147 56.592 55.300 0.242 0.000 1.097 524 M CB -0.387 32.493 32.600 0.468 0.000 1.382 524 M HN 0.067 nan 8.290 nan 0.000 0.413 525 I N -0.106 120.504 120.570 0.066 0.000 2.546 525 I HA -0.252 3.679 4.170 -0.399 0.000 0.255 525 I C 1.971 178.051 176.117 -0.062 0.000 1.163 525 I CA 1.095 62.332 61.300 -0.106 0.000 1.457 525 I CB -0.284 37.630 38.000 -0.142 0.000 1.092 525 I HN 0.268 nan 8.210 nan 0.000 0.434 526 K N 0.610 120.997 120.400 -0.022 0.000 2.296 526 K HA -0.002 4.078 4.320 -0.399 0.000 0.200 526 K C 0.427 177.018 176.600 -0.016 0.000 1.048 526 K CA 0.449 56.722 56.287 -0.023 0.000 0.966 526 K CB 0.058 32.545 32.500 -0.021 0.000 0.754 526 K HN 0.088 nan 8.250 nan 0.000 0.466 527 K N 1.579 121.979 120.400 0.000 0.000 2.326 527 K HA 0.029 4.110 4.320 -0.399 0.000 0.275 527 K C 0.694 177.303 176.600 0.016 0.000 1.018 527 K CA 0.380 56.671 56.287 0.007 0.000 0.962 527 K CB 0.906 33.419 32.500 0.021 0.000 0.953 527 K HN 0.140 nan 8.250 nan 0.000 0.475 528 E N 0.470 120.677 120.200 0.013 0.000 2.122 528 E HA 0.021 4.131 4.350 -0.399 0.000 0.190 528 E C -0.079 176.543 176.600 0.036 0.000 0.977 528 E CA 0.477 56.887 56.400 0.017 0.000 0.820 528 E CB 0.373 30.079 29.700 0.010 0.000 0.770 528 E HN 0.616 nan 8.360 nan 0.000 0.462 529 A N 0.831 123.677 122.820 0.043 0.000 2.566 529 A HA 0.617 4.697 4.320 -0.399 0.000 0.297 529 A C -1.392 176.233 177.584 0.068 0.000 1.059 529 A CA -0.639 51.436 52.037 0.063 0.000 0.691 529 A CB 1.117 20.149 19.000 0.053 0.000 1.282 529 A HN 0.080 nan 8.150 nan 0.000 0.401 530 I N 1.746 122.374 120.570 0.097 0.000 2.569 530 I HA 0.355 4.286 4.170 -0.399 0.000 0.290 530 I C -1.360 174.847 176.117 0.149 0.000 1.088 530 I CA -0.622 60.732 61.300 0.090 0.000 1.047 530 I CB 2.140 40.185 38.000 0.075 0.000 1.237 530 I HN 0.732 nan 8.210 nan 0.000 0.421 531 Y N 7.022 127.329 120.300 0.012 0.000 2.335 531 Y HA 0.722 5.032 4.550 -0.400 0.000 0.338 531 Y C -1.277 174.638 175.900 0.026 0.000 0.977 531 Y CA -0.918 57.192 58.100 0.016 0.000 1.114 531 Y CB 1.444 39.908 38.460 0.007 0.000 1.182 531 Y HN 0.256 nan 8.280 nan 0.000 0.463 532 V N 6.159 125.754 119.914 -0.532 0.000 2.483 532 V HA 0.889 4.770 4.120 -0.399 0.000 0.297 532 V C -0.430 175.323 176.094 -0.569 0.000 1.027 532 V CA -0.406 61.646 62.300 -0.415 0.000 0.855 532 V CB 0.868 32.631 31.823 -0.100 0.000 0.995 532 V HN 0.996 nan 8.190 nan 0.000 0.424 533 A N 4.064 126.599 122.820 -0.475 0.000 2.485 533 A HA 0.945 5.026 4.320 -0.399 0.000 0.292 533 A C -1.822 175.761 177.584 -0.001 0.000 1.147 533 A CA -0.711 51.183 52.037 -0.239 0.000 0.750 533 A CB 1.753 20.618 19.000 -0.225 0.000 1.331 533 A HN 0.983 nan 8.150 nan 0.000 0.419 534 W N 0.887 122.120 121.300 -0.111 0.000 2.689 534 W HA 0.621 5.042 4.660 -0.398 0.000 0.340 534 W C -1.050 175.456 176.519 -0.023 0.000 1.060 534 W CA -0.538 56.768 57.345 -0.065 0.000 1.218 534 W CB 1.835 31.252 29.460 -0.072 0.000 1.410 534 W HN 0.934 nan 8.180 nan 0.000 0.528 535 V N 2.687 122.043 119.914 -0.930 0.000 2.876 535 V HA 0.713 4.594 4.120 -0.399 0.000 0.312 535 V C -2.794 172.319 176.094 -1.636 0.000 1.085 535 V CA -3.096 58.618 62.300 -0.977 0.000 0.945 535 V CB 1.506 33.096 31.823 -0.390 0.000 1.017 535 V HN 0.515 nan 8.190 nan 0.000 0.428 536 P HA 0.411 nan 4.420 nan 0.000 0.269 536 P C -0.273 176.765 177.300 -0.436 0.000 1.209 536 P CA 0.363 62.997 63.100 -0.777 0.000 0.776 536 P CB 0.666 32.191 31.700 -0.291 0.000 0.876 537 A N 2.556 125.211 122.820 -0.276 0.000 2.286 537 A HA 0.388 4.468 4.320 -0.399 0.000 0.286 537 A C 0.105 177.546 177.584 -0.239 0.000 1.097 537 A CA -0.241 51.593 52.037 -0.338 0.000 0.821 537 A CB -0.418 18.322 19.000 -0.433 0.000 1.076 537 A HN 0.796 nan 8.150 nan 0.000 0.490 538 H N -0.119 118.935 119.070 -0.027 0.000 2.839 538 H HA -0.095 4.221 4.556 -0.399 0.000 0.298 538 H C -0.051 175.269 175.328 -0.014 0.000 1.224 538 H CA 1.282 57.330 56.048 -0.001 0.000 1.144 538 H CB -1.387 28.387 29.762 0.021 0.000 1.372 538 H HN 0.766 nan 8.280 nan 0.000 0.408 539 K N -0.351 120.058 120.400 0.015 0.000 2.469 539 K HA 0.273 4.354 4.320 -0.399 0.000 0.204 539 K C 1.361 177.948 176.600 -0.021 0.000 1.047 539 K CA 0.338 56.625 56.287 0.000 0.000 1.072 539 K CB 1.256 33.735 32.500 -0.035 0.000 0.863 539 K HN 0.406 nan 8.250 nan 0.000 0.530 540 G N 2.581 111.362 108.800 -0.032 0.000 2.198 540 G HA2 -0.268 3.452 3.960 -0.399 0.000 0.260 540 G HA3 -0.268 3.452 3.960 -0.399 0.000 0.260 540 G C 0.134 174.982 174.900 -0.087 0.000 1.025 540 G CA -0.000 45.065 45.100 -0.057 0.000 0.769 540 G HN 0.313 nan 8.290 nan 0.000 0.507 541 I N 1.384 121.891 120.570 -0.105 0.000 2.496 541 I HA 0.342 4.272 4.170 -0.399 0.000 0.285 541 I C 1.605 177.626 176.117 -0.161 0.000 1.080 541 I CA 0.152 61.386 61.300 -0.109 0.000 1.404 541 I CB 0.832 38.770 38.000 -0.102 0.000 1.403 541 I HN 0.203 nan 8.210 nan 0.000 0.539 542 G N 4.082 112.784 108.800 -0.163 0.000 2.265 542 G HA2 0.305 4.026 3.960 -0.399 0.000 0.240 542 G HA3 0.305 4.026 3.960 -0.399 0.000 0.240 542 G C 0.974 175.577 174.900 -0.496 0.000 1.270 542 G CA 0.391 45.341 45.100 -0.250 0.000 0.901 542 G HN 1.133 nan 8.290 nan 0.000 0.507 543 G N 2.747 111.186 108.800 -0.602 0.000 3.206 543 G HA2 -0.415 3.306 3.960 -0.399 0.000 0.217 543 G HA3 -0.415 3.306 3.960 -0.399 0.000 0.217 543 G C 1.512 176.080 174.900 -0.554 0.000 1.350 543 G CA 1.099 45.559 45.100 -1.066 0.000 0.836 543 G HN 1.046 nan 8.290 nan 0.000 0.548 544 N N 0.991 119.496 118.700 -0.324 0.000 2.084 544 N HA -0.080 4.420 4.740 -0.399 0.000 0.190 544 N C 2.143 177.554 175.510 -0.165 0.000 1.030 544 N CA 2.456 55.458 53.050 -0.080 0.000 0.849 544 N CB -0.359 38.090 38.487 -0.062 0.000 1.012 544 N HN 0.697 nan 8.380 nan 0.000 0.423 545 Q N -0.089 119.568 119.800 -0.239 0.000 2.135 545 Q HA -0.193 3.907 4.340 -0.399 0.000 0.204 545 Q C 1.417 177.133 176.000 -0.474 0.000 0.981 545 Q CA 1.687 57.281 55.803 -0.348 0.000 0.856 545 Q CB -0.097 28.441 28.738 -0.332 0.000 0.902 545 Q HN 0.598 nan 8.270 nan 0.000 0.425 546 E N -0.536 119.475 120.200 -0.315 0.000 2.208 546 E HA -0.100 4.010 4.350 -0.399 0.000 0.193 546 E C 1.993 178.540 176.600 -0.088 0.000 0.988 546 E CA 1.048 57.322 56.400 -0.211 0.000 0.828 546 E CB -0.120 29.487 29.700 -0.154 0.000 0.763 546 E HN 0.290 nan 8.360 nan 0.000 0.478 547 V N 2.266 122.146 119.914 -0.057 0.000 2.488 547 V HA -0.175 3.705 4.120 -0.399 0.000 0.246 547 V C 2.303 178.419 176.094 0.036 0.000 1.046 547 V CA 1.741 64.055 62.300 0.024 0.000 1.053 547 V CB -0.502 31.375 31.823 0.089 0.000 0.679 547 V HN 0.169 nan 8.190 nan 0.000 0.458 548 D N 0.186 120.588 120.400 0.004 0.000 2.104 548 D HA -0.229 4.171 4.640 -0.399 0.000 0.194 548 D C 2.039 178.444 176.300 0.174 0.000 0.994 548 D CA 1.953 55.985 54.000 0.053 0.000 0.830 548 D CB -0.211 40.583 40.800 -0.011 0.000 0.959 548 D HN 0.656 nan 8.370 nan 0.000 0.452 549 H N -0.273 118.806 119.070 0.015 0.000 2.389 549 H HA -0.004 4.312 4.556 -0.399 0.000 0.299 549 H C 2.396 177.730 175.328 0.010 0.000 1.081 549 H CA 0.175 56.232 56.048 0.016 0.000 1.345 549 H CB 0.315 30.080 29.762 0.005 0.000 1.393 549 H HN 0.125 nan 8.280 nan 0.000 0.520 550 L N 1.161 122.462 121.223 0.130 0.000 2.017 550 L HA -0.151 3.949 4.340 -0.399 0.000 0.208 550 L C 2.522 179.419 176.870 0.046 0.000 1.073 550 L CA 1.292 56.169 54.840 0.063 0.000 0.745 550 L CB -0.076 42.000 42.059 0.029 0.000 0.894 550 L HN 0.259 nan 8.230 nan 0.000 0.432 551 V N -4.191 115.756 119.914 0.054 0.000 3.129 551 V HA -0.043 3.837 4.120 -0.399 0.000 0.259 551 V C 2.247 178.372 176.094 0.051 0.000 1.116 551 V CA 1.213 63.540 62.300 0.045 0.000 1.127 551 V CB -0.168 31.686 31.823 0.052 0.000 0.742 551 V HN 0.518 nan 8.190 nan 0.000 0.474 552 S N -0.848 114.892 115.700 0.068 0.000 2.501 552 S HA 0.068 4.298 4.470 -0.399 0.000 0.220 552 S C 1.147 175.766 174.600 0.032 0.000 0.997 552 S CA 0.047 58.283 58.200 0.061 0.000 0.919 552 S CB -0.636 62.618 63.200 0.089 0.000 0.778 552 S HN 0.690 nan 8.310 nan 0.000 0.523 553 Q N 1.325 121.141 119.800 0.027 0.000 2.257 553 Q HA 0.378 4.479 4.340 -0.399 0.000 0.273 553 Q C 0.998 177.001 176.000 0.006 0.000 1.153 553 Q CA 0.718 56.525 55.803 0.007 0.000 0.922 553 Q CB -0.220 28.523 28.738 0.008 0.000 1.242 553 Q HN 0.711 nan 8.270 nan 0.000 0.409 554 G N 2.912 111.712 108.800 0.001 0.000 2.157 554 G HA2 -0.209 3.511 3.960 -0.399 0.000 0.248 554 G HA3 -0.209 3.511 3.960 -0.399 0.000 0.248 554 G C 0.053 174.956 174.900 0.006 0.000 0.979 554 G CA -0.184 44.917 45.100 0.001 0.000 0.650 554 G HN 0.501 nan 8.290 nan 0.000 0.529 555 I N 0.000 120.577 120.570 0.011 0.000 2.984 555 I HA 0.000 3.930 4.170 -0.399 0.000 0.288 555 I CA 0.000 61.310 61.300 0.016 0.000 1.566 555 I CB 0.000 38.015 38.000 0.025 0.000 1.214 555 I HN 0.000 nan 8.210 nan 0.000 0.494