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 2c64_1_B DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLI 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 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.507 175.510 -0.005 0.000 1.280 3 N CA 0.000 52.959 53.050 -0.152 0.000 0.885 3 N CB 0.000 38.419 38.487 -0.113 0.000 1.341 4 K N 0.678 121.095 120.400 0.028 0.000 2.221 4 K HA 0.680 5.000 4.320 -0.000 0.000 0.258 4 K C -0.654 175.987 176.600 0.068 0.000 0.944 4 K CA -0.701 55.615 56.287 0.048 0.000 0.823 4 K CB 2.291 34.804 32.500 0.022 0.000 1.113 4 K HN 0.522 nan 8.250 nan 0.000 0.431 5 C N -1.333 118.013 119.300 0.077 0.000 3.293 5 C HA 0.403 4.863 4.460 -0.000 0.000 0.362 5 C C 0.588 175.620 174.990 0.070 0.000 1.539 5 C CA -0.778 58.285 59.018 0.075 0.000 1.201 5 C CB 0.834 28.630 27.740 0.093 0.000 1.770 5 C HN 0.803 nan 8.230 nan 0.000 0.440 6 D N 0.295 120.739 120.400 0.072 0.000 2.149 6 D HA 0.127 4.767 4.640 -0.000 0.000 0.206 6 D C 0.325 176.699 176.300 0.124 0.000 0.967 6 D CA 1.608 55.662 54.000 0.090 0.000 0.848 6 D CB 0.180 41.028 40.800 0.079 0.000 0.998 6 D HN 0.469 nan 8.370 nan 0.000 0.474 7 V N 1.636 121.608 119.914 0.098 0.000 2.569 7 V HA 0.206 4.326 4.120 -0.000 0.000 0.301 7 V C -0.153 175.975 176.094 0.057 0.000 1.044 7 V CA -0.830 61.528 62.300 0.097 0.000 0.874 7 V CB 2.692 34.554 31.823 0.065 0.000 1.002 7 V HN -0.234 nan 8.190 nan 0.000 0.424 8 V N 5.620 125.563 119.914 0.049 0.000 2.461 8 V HA 0.310 4.430 4.120 -0.000 0.000 0.275 8 V C 0.087 176.175 176.094 -0.010 0.000 1.047 8 V CA -0.269 62.029 62.300 -0.003 0.000 0.955 8 V CB 1.704 33.516 31.823 -0.018 0.000 0.988 8 V HN 0.627 nan 8.190 nan 0.000 0.471 9 V N 6.421 126.315 119.914 -0.035 0.000 2.350 9 V HA 0.273 4.393 4.120 -0.000 0.000 0.276 9 V C 0.057 176.125 176.094 -0.045 0.000 1.028 9 V CA -0.568 61.716 62.300 -0.027 0.000 0.860 9 V CB 1.663 33.472 31.823 -0.023 0.000 0.990 9 V HN 0.615 nan 8.190 nan 0.000 0.453 10 V N 4.806 124.705 119.914 -0.024 0.000 2.389 10 V HA 0.746 4.866 4.120 -0.000 0.000 0.264 10 V C 0.783 176.877 176.094 0.001 0.000 1.049 10 V CA 0.518 62.805 62.300 -0.023 0.000 0.932 10 V CB 0.211 32.036 31.823 0.004 0.000 1.011 10 V HN 1.257 nan 8.190 nan 0.000 0.475 11 G N 3.611 112.397 108.800 -0.023 0.000 3.233 11 G HA2 0.197 4.157 3.960 -0.000 0.000 0.686 11 G HA3 0.197 4.157 3.960 -0.000 0.000 0.686 11 G C 0.006 174.903 174.900 -0.004 0.000 1.153 11 G CA -0.563 44.534 45.100 -0.005 0.000 0.853 11 G HN 1.208 nan 8.290 nan 0.000 0.582 12 G N 0.820 109.615 108.800 -0.008 0.000 4.420 12 G HA2 0.698 4.658 3.960 -0.000 0.000 0.299 12 G HA3 0.698 4.658 3.960 -0.000 0.000 0.299 12 G C 0.773 175.687 174.900 0.022 0.000 1.343 12 G CA 0.878 45.976 45.100 -0.003 0.000 1.272 12 G HN 1.269 nan 8.290 nan 0.000 0.610 13 G N -0.239 108.585 108.800 0.040 0.000 2.583 13 G HA2 0.403 4.363 3.960 -0.000 0.000 0.280 13 G HA3 0.403 4.363 3.960 -0.000 0.000 0.280 13 G C 1.178 176.104 174.900 0.044 0.000 1.376 13 G CA -0.840 44.294 45.100 0.056 0.000 1.043 13 G HN 0.146 nan 8.290 nan 0.000 0.538 14 I N -0.363 120.237 120.570 0.050 0.000 2.264 14 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 14 I C 2.952 179.092 176.117 0.038 0.000 1.111 14 I CA 1.609 62.931 61.300 0.037 0.000 1.382 14 I CB -0.071 37.956 38.000 0.045 0.000 1.060 14 I HN 0.452 nan 8.210 nan 0.000 0.418 15 S N 0.552 116.286 115.700 0.056 0.000 2.345 15 S HA -0.088 4.382 4.470 -0.000 0.000 0.219 15 S C 2.138 176.762 174.600 0.041 0.000 1.031 15 S CA 1.423 59.659 58.200 0.060 0.000 0.984 15 S CB -0.624 62.630 63.200 0.089 0.000 0.874 15 S HN 0.547 nan 8.310 nan 0.000 0.451 16 G N 2.161 110.985 108.800 0.039 0.000 2.529 16 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 16 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 16 G C 1.452 176.353 174.900 0.002 0.000 1.177 16 G CA 1.368 46.479 45.100 0.020 0.000 0.773 16 G HN 0.417 nan 8.290 nan 0.000 0.573 17 M N 1.027 120.627 119.600 -0.001 0.000 2.132 17 M HA 0.106 4.586 4.480 -0.000 0.000 0.263 17 M C 3.036 179.326 176.300 -0.018 0.000 1.065 17 M CA 1.174 56.464 55.300 -0.017 0.000 1.122 17 M CB -1.388 31.199 32.600 -0.021 0.000 1.365 17 M HN 0.320 nan 8.290 nan 0.000 0.411 18 A N 0.264 123.080 122.820 -0.007 0.000 1.972 18 A HA 0.015 4.335 4.320 -0.000 0.000 0.219 18 A C 2.440 180.019 177.584 -0.009 0.000 1.169 18 A CA 2.060 54.093 52.037 -0.007 0.000 0.635 18 A CB -0.779 18.223 19.000 0.004 0.000 0.810 18 A HN 0.473 nan 8.150 nan 0.000 0.446 19 A N -0.185 122.630 122.820 -0.008 0.000 1.854 19 A HA 0.262 4.582 4.320 -0.000 0.000 0.214 19 A C 2.535 180.110 177.584 -0.015 0.000 1.192 19 A CA 1.838 53.864 52.037 -0.017 0.000 0.611 19 A CB -1.135 17.857 19.000 -0.013 0.000 0.832 19 A HN 1.034 nan 8.150 nan 0.000 0.442 20 A N -0.019 122.794 122.820 -0.012 0.000 1.883 20 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 20 A C 2.163 179.753 177.584 0.009 0.000 1.186 20 A CA 2.185 54.218 52.037 -0.007 0.000 0.624 20 A CB -0.541 18.444 19.000 -0.025 0.000 0.822 20 A HN 0.554 nan 8.150 nan 0.000 0.444 21 K N -0.555 119.839 120.400 -0.009 0.000 2.063 21 K HA -0.116 4.204 4.320 -0.000 0.000 0.208 21 K C 2.010 178.640 176.600 0.050 0.000 1.048 21 K CA 1.590 57.880 56.287 0.005 0.000 0.928 21 K CB -0.314 32.175 32.500 -0.019 0.000 0.713 21 K HN 0.467 nan 8.250 nan 0.000 0.442 22 L N 1.122 122.356 121.223 0.019 0.000 2.083 22 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 22 L C 2.140 179.018 176.870 0.013 0.000 1.083 22 L CA 1.036 55.881 54.840 0.009 0.000 0.752 22 L CB -0.070 41.979 42.059 -0.017 0.000 0.899 22 L HN 0.238 nan 8.230 nan 0.000 0.433 23 L N -1.361 119.873 121.223 0.017 0.000 2.023 23 L HA -0.243 4.097 4.340 -0.000 0.000 0.205 23 L C 2.559 179.457 176.870 0.046 0.000 1.073 23 L CA 1.454 56.300 54.840 0.010 0.000 0.745 23 L CB -0.851 41.207 42.059 -0.002 0.000 0.900 23 L HN 0.335 nan 8.230 nan 0.000 0.435 24 H N 0.450 119.507 119.070 -0.021 0.000 2.357 24 H HA -0.243 4.313 4.556 -0.000 0.000 0.296 24 H C 1.629 176.948 175.328 -0.015 0.000 1.108 24 H CA 2.203 58.242 56.048 -0.015 0.000 1.273 24 H CB 0.006 29.760 29.762 -0.013 0.000 1.367 24 H HN 0.252 nan 8.280 nan 0.000 0.498 25 D N -0.876 119.575 120.400 0.085 0.000 2.351 25 D HA -0.062 4.578 4.640 -0.000 0.000 0.216 25 D C 1.473 177.749 176.300 -0.040 0.000 0.968 25 D CA 0.997 55.007 54.000 0.016 0.000 0.899 25 D CB -0.043 40.785 40.800 0.046 0.000 0.907 25 D HN 0.323 nan 8.370 nan 0.000 0.514 26 S N -1.307 114.366 115.700 -0.045 0.000 2.556 26 S HA 0.313 4.783 4.470 -0.000 0.000 0.216 26 S C 1.544 176.104 174.600 -0.067 0.000 0.970 26 S CA 0.369 58.540 58.200 -0.048 0.000 0.912 26 S CB 0.974 64.151 63.200 -0.038 0.000 0.790 26 S HN 0.385 nan 8.310 nan 0.000 0.504 27 G N 1.381 110.114 108.800 -0.111 0.000 2.141 27 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.242 27 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.242 27 G C -0.034 174.816 174.900 -0.083 0.000 0.982 27 G CA -0.129 44.897 45.100 -0.122 0.000 0.662 27 G HN 0.423 nan 8.290 nan 0.000 0.527 28 L N 0.456 121.645 121.223 -0.055 0.000 2.439 28 L HA 0.445 4.785 4.340 -0.000 0.000 0.261 28 L C 0.306 177.181 176.870 0.009 0.000 1.153 28 L CA -1.000 53.831 54.840 -0.014 0.000 0.808 28 L CB 0.523 42.582 42.059 -0.001 0.000 1.126 28 L HN -0.002 nan 8.230 nan 0.000 0.460 29 N N 1.627 120.346 118.700 0.031 0.000 2.420 29 N HA 0.302 5.042 4.740 -0.000 0.000 0.249 29 N C -0.781 174.771 175.510 0.070 0.000 1.033 29 N CA -0.209 52.876 53.050 0.057 0.000 0.944 29 N CB 1.487 40.005 38.487 0.052 0.000 1.113 29 N HN 0.359 nan 8.380 nan 0.000 0.502 30 V N 0.184 120.150 119.914 0.086 0.000 2.630 30 V HA 0.694 4.814 4.120 -0.000 0.000 0.305 30 V C -0.024 176.096 176.094 0.044 0.000 1.046 30 V CA -0.723 61.613 62.300 0.060 0.000 0.934 30 V CB 1.839 33.693 31.823 0.052 0.000 1.003 30 V HN 0.155 nan 8.190 nan 0.000 0.451 31 V N 4.462 124.384 119.914 0.013 0.000 2.487 31 V HA 0.438 4.558 4.120 -0.000 0.000 0.298 31 V C -0.114 175.927 176.094 -0.088 0.000 1.028 31 V CA -0.521 61.759 62.300 -0.034 0.000 0.860 31 V CB 1.855 33.650 31.823 -0.047 0.000 0.991 31 V HN 0.829 nan 8.190 nan 0.000 0.427 32 V N 6.653 126.513 119.914 -0.089 0.000 2.385 32 V HA 0.375 4.495 4.120 -0.000 0.000 0.269 32 V C -0.001 176.005 176.094 -0.148 0.000 1.043 32 V CA -0.374 61.867 62.300 -0.099 0.000 0.906 32 V CB 1.135 32.919 31.823 -0.067 0.000 0.995 32 V HN 0.617 nan 8.190 nan 0.000 0.467 33 L N 4.543 125.657 121.223 -0.181 0.000 2.259 33 L HA 0.531 4.871 4.340 -0.000 0.000 0.288 33 L C 0.055 176.842 176.870 -0.139 0.000 1.051 33 L CA -0.316 54.399 54.840 -0.208 0.000 0.824 33 L CB 1.018 42.906 42.059 -0.286 0.000 1.206 33 L HN 0.584 nan 8.230 nan 0.000 0.429 34 E N 2.386 122.512 120.200 -0.124 0.000 2.134 34 E HA 0.424 4.774 4.350 -0.000 0.000 0.278 34 E C 0.473 176.971 176.600 -0.170 0.000 0.959 34 E CA -0.295 56.035 56.400 -0.116 0.000 0.783 34 E CB 1.996 31.650 29.700 -0.077 0.000 1.095 34 E HN 0.554 nan 8.360 nan 0.000 0.399 35 A N 5.711 128.369 122.820 -0.270 0.000 1.969 35 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 35 A C 1.078 178.420 177.584 -0.403 0.000 1.169 35 A CA 0.909 52.657 52.037 -0.483 0.000 0.635 35 A CB -0.095 18.278 19.000 -1.044 0.000 0.810 35 A HN 0.577 nan 8.150 nan 0.000 0.445 36 R N -0.041 120.304 120.500 -0.259 0.000 2.546 36 R HA 0.239 4.579 4.340 -0.000 0.000 0.266 36 R C 0.073 176.332 176.300 -0.068 0.000 1.086 36 R CA 0.091 56.120 56.100 -0.119 0.000 1.160 36 R CB 0.242 30.514 30.300 -0.047 0.000 1.138 36 R HN 0.414 nan 8.270 nan 0.000 0.567 37 D N 0.672 121.051 120.400 -0.036 0.000 2.332 37 D HA -0.049 4.591 4.640 -0.000 0.000 0.244 37 D C -0.132 176.166 176.300 -0.002 0.000 1.136 37 D CA 0.147 54.136 54.000 -0.018 0.000 0.884 37 D CB -0.075 40.721 40.800 -0.008 0.000 0.906 37 D HN 0.447 nan 8.370 nan 0.000 0.520 38 R N -1.600 118.900 120.500 0.000 0.000 2.716 38 R HA 0.571 4.911 4.340 -0.000 0.000 0.271 38 R C -0.857 175.463 176.300 0.033 0.000 1.028 38 R CA -1.078 55.041 56.100 0.032 0.000 0.883 38 R CB 1.058 31.397 30.300 0.065 0.000 1.250 38 R HN -0.095 nan 8.270 nan 0.000 0.465 39 V N -1.692 118.252 119.914 0.050 0.000 3.302 39 V HA 0.891 5.011 4.120 -0.000 0.000 0.316 39 V C 0.958 177.108 176.094 0.094 0.000 1.111 39 V CA 0.310 62.638 62.300 0.047 0.000 1.029 39 V CB 0.772 32.608 31.823 0.021 0.000 1.170 39 V HN 1.216 nan 8.190 nan 0.000 0.452 40 G N -1.126 107.727 108.800 0.089 0.000 2.349 40 G HA2 0.096 4.056 3.960 -0.000 0.000 0.213 40 G HA3 0.096 4.056 3.960 -0.000 0.000 0.213 40 G C 1.736 176.728 174.900 0.152 0.000 1.044 40 G CA 0.900 46.077 45.100 0.127 0.000 0.633 40 G HN 2.669 nan 8.290 nan 0.000 0.506 41 G N 0.513 109.415 108.800 0.169 0.000 2.677 41 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.321 41 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.321 41 G C 0.977 176.043 174.900 0.276 0.000 1.181 41 G CA 1.543 46.760 45.100 0.194 0.000 0.965 41 G HN 1.232 nan 8.290 nan 0.000 0.548 42 R N 1.826 122.386 120.500 0.101 0.000 2.313 42 R HA 0.242 4.582 4.340 -0.000 0.000 0.199 42 R C 1.049 177.253 176.300 -0.159 0.000 0.958 42 R CA 1.014 56.989 56.100 -0.208 0.000 1.047 42 R CB -0.017 30.132 30.300 -0.251 0.000 0.955 42 R HN 0.709 nan 8.270 nan 0.000 0.481 43 T N -2.389 112.228 114.554 0.105 0.000 2.902 43 T HA 0.382 4.732 4.350 -0.000 0.000 0.283 43 T C -0.889 174.051 174.700 0.399 0.000 1.009 43 T CA -0.630 61.581 62.100 0.186 0.000 1.051 43 T CB 1.673 70.615 68.868 0.124 0.000 0.999 43 T HN 0.142 nan 8.240 nan 0.000 0.474 44 Y N 0.836 121.290 120.300 0.256 0.000 2.252 44 Y HA 0.342 4.892 4.550 -0.000 0.000 0.318 44 Y C -1.215 174.806 175.900 0.202 0.000 1.220 44 Y CA -0.795 57.456 58.100 0.252 0.000 1.207 44 Y CB 0.811 39.487 38.460 0.361 0.000 1.244 44 Y HN 0.895 nan 8.280 nan 0.000 0.404 45 T N 7.439 121.837 114.554 -0.259 0.000 2.728 45 T HA 0.437 4.787 4.350 -0.000 0.000 0.296 45 T C -0.492 173.898 174.700 -0.517 0.000 0.940 45 T CA -0.290 61.643 62.100 -0.279 0.000 1.013 45 T CB 0.589 69.414 68.868 -0.071 0.000 0.912 45 T HN 0.589 nan 8.240 nan 0.000 0.484 46 L N 4.307 125.241 121.223 -0.482 0.000 2.334 46 L HA 0.688 5.028 4.340 -0.000 0.000 0.277 46 L C -0.268 176.539 176.870 -0.105 0.000 1.075 46 L CA -0.216 54.430 54.840 -0.324 0.000 0.804 46 L CB 0.704 42.638 42.059 -0.208 0.000 1.174 46 L HN 0.454 nan 8.230 nan 0.000 0.438 47 R N 3.215 123.679 120.500 -0.060 0.000 2.561 47 R HA 0.635 4.975 4.340 -0.000 0.000 0.297 47 R C -1.270 175.011 176.300 -0.032 0.000 0.969 47 R CA -0.616 55.469 56.100 -0.025 0.000 0.879 47 R CB 1.478 31.775 30.300 -0.006 0.000 1.178 47 R HN 0.906 nan 8.270 nan 0.000 0.445 48 N N -0.825 117.839 118.700 -0.060 0.000 3.020 48 N HA 0.081 4.821 4.740 -0.000 0.000 0.248 48 N C -0.107 175.347 175.510 -0.093 0.000 1.480 48 N CA -0.867 52.145 53.050 -0.064 0.000 0.874 48 N CB 0.573 39.023 38.487 -0.061 0.000 1.433 48 N HN 0.148 nan 8.380 nan 0.000 0.530 49 Q N -0.188 119.564 119.800 -0.079 0.000 2.135 49 Q HA -0.023 4.317 4.340 -0.000 0.000 0.204 49 Q C 0.758 176.718 176.000 -0.066 0.000 0.981 49 Q CA 1.429 57.198 55.803 -0.056 0.000 0.856 49 Q CB -0.082 28.628 28.738 -0.047 0.000 0.902 49 Q HN 0.526 nan 8.270 nan 0.000 0.425 50 K N -0.098 120.171 120.400 -0.218 0.000 2.103 50 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 50 K C 2.014 178.430 176.600 -0.307 0.000 1.052 50 K CA 1.373 57.431 56.287 -0.381 0.000 0.945 50 K CB -0.140 31.772 32.500 -0.980 0.000 0.722 50 K HN 0.292 nan 8.250 nan 0.000 0.443 51 V N -1.998 117.692 119.914 -0.374 0.000 3.661 51 V HA 0.173 4.293 4.120 -0.000 0.000 0.271 51 V C 1.472 177.167 176.094 -0.665 0.000 1.315 51 V CA 0.895 62.922 62.300 -0.456 0.000 1.072 51 V CB 0.054 31.651 31.823 -0.376 0.000 0.830 51 V HN 0.364 nan 8.190 nan 0.000 0.443 52 K N 0.741 120.827 120.400 -0.524 0.000 11.134 52 K HA -0.313 4.007 4.320 -0.000 0.000 0.527 52 K C 0.196 176.688 176.600 -0.181 0.000 0.391 52 K CA 2.486 58.505 56.287 -0.446 0.000 1.928 52 K CB -1.638 30.373 32.500 -0.816 0.000 0.781 52 K HN 0.923 nan 8.250 nan 0.000 1.243 53 Y N -1.531 118.608 120.300 -0.269 0.000 2.609 53 Y HA 0.779 5.328 4.550 -0.000 0.000 0.342 53 Y C -1.072 174.779 175.900 -0.081 0.000 1.058 53 Y CA -0.730 57.281 58.100 -0.148 0.000 1.055 53 Y CB 2.144 40.538 38.460 -0.108 0.000 1.292 53 Y HN 0.110 nan 8.280 nan 0.000 0.476 54 V N 1.868 121.825 119.914 0.072 0.000 2.752 54 V HA 0.301 4.421 4.120 -0.000 0.000 0.302 54 V C -1.609 174.540 176.094 0.092 0.000 1.133 54 V CA -0.690 61.656 62.300 0.077 0.000 0.919 54 V CB 1.788 33.680 31.823 0.116 0.000 1.026 54 V HN 0.919 nan 8.190 nan 0.000 0.429 55 D N 5.782 126.255 120.400 0.121 0.000 2.346 55 D HA 0.239 4.879 4.640 -0.000 0.000 0.260 55 D C 0.847 177.229 176.300 0.137 0.000 1.252 55 D CA 0.370 54.429 54.000 0.099 0.000 0.895 55 D CB 1.631 42.465 40.800 0.057 0.000 1.097 55 D HN 0.530 nan 8.370 nan 0.000 0.489 56 L N 1.565 122.917 121.223 0.215 0.000 2.616 56 L HA 0.228 4.568 4.340 -0.000 0.000 0.229 56 L C 1.480 178.757 176.870 0.678 0.000 1.110 56 L CA -0.012 55.052 54.840 0.373 0.000 0.884 56 L CB 0.446 42.718 42.059 0.356 0.000 1.115 56 L HN 0.329 nan 8.230 nan 0.000 0.481 57 G N -0.813 108.318 108.800 0.552 0.000 3.234 57 G HA2 0.440 4.400 3.960 -0.000 0.000 0.159 57 G HA3 0.440 4.400 3.960 -0.000 0.000 0.159 57 G C -0.158 174.787 174.900 0.075 0.000 1.175 57 G CA -0.065 45.203 45.100 0.281 0.000 0.900 57 G HN 0.072 nan 8.290 nan 0.000 0.621 58 G N -0.926 107.841 108.800 -0.055 0.000 2.391 58 G HA2 0.372 4.332 3.960 -0.000 0.000 0.234 58 G HA3 0.372 4.332 3.960 -0.000 0.000 0.234 58 G C 0.503 175.390 174.900 -0.023 0.000 1.284 58 G CA 0.975 46.043 45.100 -0.053 0.000 0.873 58 G HN 0.913 nan 8.290 nan 0.000 0.549 59 S N 0.752 116.388 115.700 -0.108 0.000 3.369 59 S HA 0.169 4.639 4.470 -0.000 0.000 0.251 59 S C -0.029 174.322 174.600 -0.415 0.000 1.093 59 S CA -0.325 57.709 58.200 -0.277 0.000 0.952 59 S CB -0.164 62.733 63.200 -0.506 0.000 0.965 59 S HN 0.485 nan 8.310 nan 0.000 0.436 60 Y N 2.789 123.051 120.300 -0.063 0.000 2.309 60 Y HA 0.548 5.098 4.550 -0.000 0.000 0.327 60 Y C 0.262 176.032 175.900 -0.217 0.000 1.172 60 Y CA -0.240 57.775 58.100 -0.141 0.000 1.280 60 Y CB 1.262 39.685 38.460 -0.062 0.000 1.234 60 Y HN 0.151 nan 8.280 nan 0.000 0.512 61 V N -0.486 119.309 119.914 -0.198 0.000 3.114 61 V HA 1.091 5.211 4.120 -0.000 0.000 0.308 61 V C -0.409 175.495 176.094 -0.317 0.000 1.168 61 V CA -0.499 61.605 62.300 -0.326 0.000 1.015 61 V CB 1.674 33.230 31.823 -0.445 0.000 1.050 61 V HN 0.955 nan 8.190 nan 0.000 0.433 62 G N 0.521 109.088 108.800 -0.387 0.000 2.619 62 G HA2 0.724 4.684 3.960 -0.000 0.000 0.305 62 G HA3 0.724 4.684 3.960 -0.000 0.000 0.305 62 G C -3.503 171.235 174.900 -0.269 0.000 1.330 62 G CA -1.369 43.556 45.100 -0.292 0.000 0.789 62 G HN 0.674 nan 8.290 nan 0.000 0.487 63 P HA 0.137 nan 4.420 nan 0.000 0.265 63 P C 0.796 178.067 177.300 -0.048 0.000 1.187 63 P CA 2.091 65.144 63.100 -0.080 0.000 0.766 63 P CB 0.740 32.421 31.700 -0.032 0.000 0.820 64 T N -1.240 113.318 114.554 0.006 0.000 7.013 64 T HA -0.276 4.074 4.350 -0.000 0.000 0.288 64 T C 0.330 175.041 174.700 0.018 0.000 2.146 64 T CA 0.958 63.135 62.100 0.128 0.000 3.498 64 T CB -2.642 66.433 68.868 0.345 0.000 1.517 64 T HN 0.568 nan 8.240 nan 0.000 1.113 65 Q N 1.252 120.899 119.800 -0.255 0.000 3.041 65 Q HA 0.352 4.692 4.340 -0.000 0.000 0.372 65 Q C 1.040 176.938 176.000 -0.170 0.000 1.241 65 Q CA -0.455 55.098 55.803 -0.417 0.000 1.010 65 Q CB 0.150 28.450 28.738 -0.731 0.000 1.467 65 Q HN 0.513 nan 8.270 nan 0.000 0.462 66 N N 0.799 119.470 118.700 -0.048 0.000 2.289 66 N HA -0.129 4.611 4.740 -0.000 0.000 0.184 66 N C 1.233 176.750 175.510 0.011 0.000 1.016 66 N CA 1.059 54.108 53.050 -0.001 0.000 0.872 66 N CB 0.207 38.717 38.487 0.038 0.000 0.973 66 N HN 0.393 nan 8.380 nan 0.000 0.433 67 R N 0.387 120.897 120.500 0.016 0.000 2.055 67 R HA 0.034 4.374 4.340 -0.000 0.000 0.226 67 R C 2.094 178.408 176.300 0.023 0.000 1.135 67 R CA 0.569 56.686 56.100 0.029 0.000 0.959 67 R CB -0.407 29.922 30.300 0.049 0.000 0.854 67 R HN 0.075 nan 8.270 nan 0.000 0.431 68 I N 1.444 122.024 120.570 0.016 0.000 2.264 68 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 68 I C 1.844 178.024 176.117 0.105 0.000 1.111 68 I CA 1.438 62.771 61.300 0.056 0.000 1.382 68 I CB -0.144 37.898 38.000 0.070 0.000 1.060 68 I HN 0.117 nan 8.210 nan 0.000 0.418 69 L N 0.100 121.367 121.223 0.074 0.000 2.017 69 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 69 L C 2.769 179.681 176.870 0.069 0.000 1.073 69 L CA 1.486 56.387 54.840 0.101 0.000 0.745 69 L CB -0.912 41.163 42.059 0.027 0.000 0.894 69 L HN 0.263 nan 8.230 nan 0.000 0.432 70 R N 0.957 121.479 120.500 0.036 0.000 2.080 70 R HA -0.222 4.118 4.340 -0.000 0.000 0.236 70 R C 2.309 178.615 176.300 0.009 0.000 1.137 70 R CA 2.011 58.125 56.100 0.023 0.000 0.943 70 R CB -0.832 29.480 30.300 0.020 0.000 0.846 70 R HN 0.273 nan 8.270 nan 0.000 0.431 71 L N 1.093 122.317 121.223 0.002 0.000 2.017 71 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 71 L C 2.483 179.314 176.870 -0.065 0.000 1.073 71 L CA 2.389 57.215 54.840 -0.024 0.000 0.745 71 L CB -0.820 41.225 42.059 -0.023 0.000 0.894 71 L HN 0.268 nan 8.230 nan 0.000 0.432 72 A N -0.620 122.147 122.820 -0.088 0.000 1.902 72 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 72 A C 2.463 179.975 177.584 -0.120 0.000 1.181 72 A CA 1.928 53.834 52.037 -0.219 0.000 0.623 72 A CB -0.655 18.075 19.000 -0.451 0.000 0.818 72 A HN 0.524 nan 8.150 nan 0.000 0.443 73 K N -0.279 120.107 120.400 -0.023 0.000 2.063 73 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 73 K C 2.059 178.647 176.600 -0.020 0.000 1.048 73 K CA 1.738 58.025 56.287 -0.001 0.000 0.928 73 K CB -0.188 32.326 32.500 0.024 0.000 0.713 73 K HN 0.624 nan 8.250 nan 0.000 0.442 74 E N 0.435 120.620 120.200 -0.024 0.000 2.153 74 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 74 E C 1.575 178.152 176.600 -0.039 0.000 0.988 74 E CA 0.857 57.242 56.400 -0.024 0.000 0.811 74 E CB 0.040 29.729 29.700 -0.019 0.000 0.746 74 E HN 0.352 nan 8.360 nan 0.000 0.466 75 L N -0.578 120.606 121.223 -0.064 0.000 2.599 75 L HA 0.174 4.514 4.340 -0.000 0.000 0.230 75 L C 1.243 178.067 176.870 -0.077 0.000 1.141 75 L CA 0.406 55.199 54.840 -0.079 0.000 0.877 75 L CB 0.207 42.198 42.059 -0.113 0.000 1.009 75 L HN 0.354 nan 8.230 nan 0.000 0.447 76 G N 0.373 109.137 108.800 -0.060 0.000 2.132 76 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.228 76 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.228 76 G C 0.005 174.875 174.900 -0.050 0.000 1.000 76 G CA -0.297 44.776 45.100 -0.045 0.000 0.693 76 G HN 0.210 nan 8.290 nan 0.000 0.515 77 L N -0.169 121.011 121.223 -0.072 0.000 2.360 77 L HA 0.731 5.071 4.340 -0.000 0.000 0.271 77 L C 0.545 177.441 176.870 0.044 0.000 1.057 77 L CA -0.794 54.004 54.840 -0.069 0.000 0.803 77 L CB 1.370 43.278 42.059 -0.251 0.000 1.207 77 L HN 0.149 nan 8.230 nan 0.000 0.445 78 E N 0.138 120.411 120.200 0.122 0.000 2.312 78 E HA 0.426 4.776 4.350 -0.000 0.000 0.267 78 E C -1.009 175.753 176.600 0.271 0.000 0.894 78 E CA -0.610 55.890 56.400 0.167 0.000 0.773 78 E CB 2.631 32.400 29.700 0.115 0.000 1.241 78 E HN 0.648 nan 8.360 nan 0.000 0.432 79 T N -1.071 113.589 114.554 0.177 0.000 2.945 79 T HA 0.616 4.966 4.350 -0.000 0.000 0.286 79 T C -0.643 174.131 174.700 0.123 0.000 1.025 79 T CA -0.674 61.454 62.100 0.047 0.000 1.039 79 T CB 0.670 69.451 68.868 -0.146 0.000 1.068 79 T HN 0.493 nan 8.240 nan 0.000 0.497 80 Y N -1.217 119.081 120.300 -0.003 0.000 2.576 80 Y HA 0.717 5.267 4.550 0.000 0.000 0.346 80 Y C -0.571 175.330 175.900 0.001 0.000 1.018 80 Y CA -1.598 56.510 58.100 0.014 0.000 1.050 80 Y CB 1.368 39.855 38.460 0.045 0.000 1.280 80 Y HN 0.609 nan 8.280 nan 0.000 0.474 81 K N 2.431 122.882 120.400 0.085 0.000 2.339 81 K HA 0.333 4.653 4.320 -0.000 0.000 0.286 81 K C -0.674 175.970 176.600 0.073 0.000 1.050 81 K CA -0.543 55.747 56.287 0.005 0.000 0.956 81 K CB 1.127 33.659 32.500 0.054 0.000 0.990 81 K HN 0.584 nan 8.250 nan 0.000 0.475 82 V N 3.378 123.271 119.914 -0.036 0.000 2.720 82 V HA -0.155 3.965 4.120 -0.000 0.000 0.307 82 V C 0.666 176.819 176.094 0.098 0.000 1.071 82 V CA 0.082 62.428 62.300 0.077 0.000 1.199 82 V CB -0.005 31.856 31.823 0.065 0.000 0.900 82 V HN 0.741 nan 8.190 nan 0.000 0.494 83 N N 3.799 122.581 118.700 0.136 0.000 2.438 83 N HA 0.056 4.796 4.740 -0.000 0.000 0.267 83 N C 0.212 175.753 175.510 0.052 0.000 1.222 83 N CA 0.423 53.536 53.050 0.106 0.000 0.930 83 N CB 0.286 38.859 38.487 0.143 0.000 1.083 83 N HN 0.837 nan 8.380 nan 0.000 0.476 84 E N 2.958 123.177 120.200 0.031 0.000 3.254 84 E HA 0.115 4.465 4.350 -0.000 0.000 0.184 84 E C 0.122 176.724 176.600 0.003 0.000 0.967 84 E CA -0.056 56.343 56.400 -0.002 0.000 1.311 84 E CB 0.205 29.890 29.700 -0.024 0.000 1.071 84 E HN 0.427 nan 8.360 nan 0.000 0.456 85 V N 0.494 120.421 119.914 0.021 0.000 2.323 85 V HA -0.125 3.995 4.120 -0.000 0.000 0.244 85 V C 0.979 177.080 176.094 0.012 0.000 1.041 85 V CA 1.574 63.884 62.300 0.016 0.000 1.025 85 V CB -0.054 31.781 31.823 0.020 0.000 0.656 85 V HN 0.266 nan 8.190 nan 0.000 0.451 86 E N -0.562 119.652 120.200 0.024 0.000 3.601 86 E HA 0.347 4.697 4.350 -0.000 0.000 0.273 86 E C 0.279 176.890 176.600 0.018 0.000 1.368 86 E CA -0.531 55.886 56.400 0.029 0.000 1.286 86 E CB 0.202 29.934 29.700 0.052 0.000 1.383 86 E HN 0.294 nan 8.360 nan 0.000 0.746 87 R N 0.106 120.640 120.500 0.057 0.000 2.490 87 R HA 0.302 4.642 4.340 -0.000 0.000 0.278 87 R C -0.534 175.717 176.300 -0.082 0.000 1.069 87 R CA -0.602 55.504 56.100 0.011 0.000 1.080 87 R CB 0.208 30.584 30.300 0.127 0.000 1.030 87 R HN 0.168 nan 8.270 nan 0.000 0.491 88 L N 2.452 123.444 121.223 -0.386 0.000 2.456 88 L HA 0.392 4.732 4.340 -0.000 0.000 0.257 88 L C 0.152 176.766 176.870 -0.426 0.000 1.162 88 L CA 0.130 54.630 54.840 -0.568 0.000 0.808 88 L CB 0.488 41.922 42.059 -1.041 0.000 1.136 88 L HN 0.451 nan 8.230 nan 0.000 0.466 89 I N 0.214 120.678 120.570 -0.176 0.000 2.465 89 I HA 0.282 4.452 4.170 -0.000 0.000 0.291 89 I C -0.512 175.889 176.117 0.473 0.000 1.014 89 I CA -0.450 60.915 61.300 0.107 0.000 1.093 89 I CB 1.497 39.417 38.000 -0.133 0.000 1.267 89 I HN 0.530 nan 8.210 nan 0.000 0.431 90 H N 5.141 124.540 119.070 0.548 0.000 2.541 90 H HA 0.305 4.861 4.556 -0.000 0.000 0.316 90 H C -1.193 174.374 175.328 0.398 0.000 1.043 90 H CA -0.757 55.547 56.048 0.427 0.000 1.232 90 H CB 0.821 30.750 29.762 0.279 0.000 1.406 90 H HN 0.587 nan 8.280 nan 0.000 0.469 91 H N 4.707 123.915 119.070 0.231 0.000 2.597 91 H HA 0.318 4.874 4.556 0.000 0.000 0.303 91 H C -1.114 174.202 175.328 -0.020 0.000 1.057 91 H CA -0.399 55.703 56.048 0.091 0.000 1.261 91 H CB 0.650 30.466 29.762 0.091 0.000 1.397 91 H HN 0.370 nan 8.280 nan 0.000 0.461 92 V N 4.378 124.167 119.914 -0.209 0.000 2.709 92 V HA 0.338 4.458 4.120 -0.000 0.000 0.308 92 V C -0.526 175.511 176.094 -0.096 0.000 1.062 92 V CA -1.042 61.158 62.300 -0.167 0.000 0.901 92 V CB 1.644 33.281 31.823 -0.309 0.000 1.003 92 V HN 0.969 nan 8.190 nan 0.000 0.425 93 K N 4.481 124.850 120.400 -0.052 0.000 3.177 93 K HA -0.215 4.105 4.320 -0.000 0.000 0.266 93 K C 0.990 177.543 176.600 -0.079 0.000 0.937 93 K CA 0.993 57.266 56.287 -0.024 0.000 0.702 93 K CB -1.877 30.629 32.500 0.010 0.000 1.365 93 K HN 2.293 nan 8.250 nan 0.000 0.466 94 G N -0.081 108.614 108.800 -0.174 0.000 2.179 94 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.257 94 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.257 94 G C -0.144 174.542 174.900 -0.356 0.000 1.010 94 G CA 1.044 46.038 45.100 -0.175 0.000 0.736 94 G HN 0.428 nan 8.290 nan 0.000 0.513 95 K N -0.245 119.758 120.400 -0.663 0.000 2.464 95 K HA 0.538 4.858 4.320 -0.000 0.000 0.253 95 K C -0.593 175.643 176.600 -0.608 0.000 0.933 95 K CA -0.622 55.360 56.287 -0.509 0.000 0.801 95 K CB 1.805 34.032 32.500 -0.455 0.000 1.271 95 K HN 0.079 nan 8.250 nan 0.000 0.430 96 S N 1.833 117.351 115.700 -0.304 0.000 2.499 96 S HA 0.368 4.838 4.470 -0.000 0.000 0.279 96 S C -1.175 173.247 174.600 -0.295 0.000 1.219 96 S CA -0.439 57.716 58.200 -0.076 0.000 1.062 96 S CB 0.174 63.419 63.200 0.074 0.000 0.978 96 S HN 0.333 nan 8.310 nan 0.000 0.489 97 Y N 3.172 123.569 120.300 0.161 0.000 2.447 97 Y HA 0.347 4.897 4.550 0.000 0.000 0.325 97 Y C -2.313 173.787 175.900 0.333 0.000 0.976 97 Y CA -2.543 55.687 58.100 0.215 0.000 1.280 97 Y CB 0.807 39.387 38.460 0.199 0.000 1.104 97 Y HN 0.454 nan 8.280 nan 0.000 0.486 98 P HA 0.236 nan 4.420 nan 0.000 0.272 98 P C -0.792 176.793 177.300 0.474 0.000 1.223 98 P CA 0.055 63.373 63.100 0.365 0.000 0.784 98 P CB 0.823 32.734 31.700 0.353 0.000 0.923 99 F N -1.232 118.843 119.950 0.207 0.000 2.741 99 F HA 0.718 5.245 4.527 0.000 0.000 0.313 99 F C -0.837 175.045 175.800 0.135 0.000 1.153 99 F CA -1.348 56.762 58.000 0.182 0.000 0.931 99 F CB 1.302 40.414 39.000 0.187 0.000 1.335 99 F HN 0.077 nan 8.300 nan 0.000 0.460 100 R N 0.562 121.196 120.500 0.222 0.000 2.919 100 R HA 0.808 5.148 4.340 -0.000 0.000 0.260 100 R C -0.237 176.195 176.300 0.220 0.000 1.067 100 R CA -0.604 55.549 56.100 0.088 0.000 1.003 100 R CB 1.666 32.015 30.300 0.081 0.000 1.192 100 R HN 1.449 nan 8.270 nan 0.000 0.488 101 G N 0.823 109.694 108.800 0.119 0.000 2.796 101 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.571 101 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.571 101 G C -2.081 172.917 174.900 0.163 0.000 1.370 101 G CA -0.565 44.621 45.100 0.143 0.000 0.856 101 G HN 0.490 nan 8.290 nan 0.000 0.538 102 P HA 0.212 nan 4.420 nan 0.000 0.234 102 P C 0.426 177.592 177.300 -0.224 0.000 1.175 102 P CA 0.719 63.735 63.100 -0.140 0.000 0.801 102 P CB 0.254 31.701 31.700 -0.421 0.000 0.891 103 F N 2.010 121.972 119.950 0.020 0.000 2.404 103 F HA 0.400 4.927 4.527 0.000 0.000 0.354 103 F C -1.936 173.684 175.800 -0.300 0.000 1.122 103 F CA -2.824 55.083 58.000 -0.154 0.000 1.080 103 F CB 0.772 39.640 39.000 -0.219 0.000 1.131 103 F HN -0.250 nan 8.300 nan 0.000 0.471 104 P HA 0.081 nan 4.420 nan 0.000 0.267 104 P C -2.422 174.605 177.300 -0.454 0.000 1.205 104 P CA -0.887 61.576 63.100 -1.063 0.000 0.765 104 P CB -0.121 31.054 31.700 -0.875 0.000 0.828 105 P HA 0.171 nan 4.420 nan 0.000 0.274 105 P C -0.967 176.162 177.300 -0.285 0.000 1.237 105 P CA -0.140 62.793 63.100 -0.279 0.000 0.793 105 P CB 0.863 32.406 31.700 -0.262 0.000 0.977 106 V N 2.539 122.250 119.914 -0.340 0.000 2.638 106 V HA 0.362 4.482 4.120 -0.000 0.000 0.306 106 V C -0.519 175.416 176.094 -0.265 0.000 1.052 106 V CA -0.457 61.689 62.300 -0.258 0.000 0.885 106 V CB 1.731 33.316 31.823 -0.396 0.000 0.999 106 V HN 0.593 nan 8.190 nan 0.000 0.424 107 W N 2.908 124.172 121.300 -0.060 0.000 2.699 107 W HA 0.307 4.967 4.660 -0.000 0.000 0.265 107 W C 1.302 177.802 176.519 -0.032 0.000 1.210 107 W CA -0.014 57.299 57.345 -0.053 0.000 1.414 107 W CB 0.244 29.666 29.460 -0.063 0.000 1.043 107 W HN 0.584 nan 8.180 nan 0.000 0.599 108 N N 2.060 120.878 118.700 0.197 0.000 2.447 108 N HA -0.031 4.709 4.740 -0.000 0.000 0.263 108 N C -1.789 173.797 175.510 0.126 0.000 1.226 108 N CA -0.538 52.593 53.050 0.134 0.000 0.906 108 N CB 1.435 39.982 38.487 0.100 0.000 1.060 108 N HN -0.146 nan 8.380 nan 0.000 0.468 109 P HA -0.149 nan 4.420 nan 0.000 0.215 109 P C 1.562 178.940 177.300 0.130 0.000 1.157 109 P CA 0.995 64.154 63.100 0.099 0.000 0.874 109 P CB 0.288 32.024 31.700 0.060 0.000 0.790 110 I N -0.947 119.681 120.570 0.096 0.000 2.202 110 I HA -0.164 4.006 4.170 -0.000 0.000 0.242 110 I C 1.991 178.169 176.117 0.101 0.000 1.091 110 I CA 1.912 63.260 61.300 0.080 0.000 1.368 110 I CB -2.041 35.998 38.000 0.065 0.000 1.058 110 I HN 0.030 nan 8.210 nan 0.000 0.410 111 T N 0.452 115.080 114.554 0.123 0.000 2.746 111 T HA -0.254 4.096 4.350 -0.000 0.000 0.267 111 T C 1.894 176.692 174.700 0.164 0.000 1.039 111 T CA 1.468 63.663 62.100 0.159 0.000 1.142 111 T CB -0.705 68.244 68.868 0.136 0.000 0.866 111 T HN 0.330 nan 8.240 nan 0.000 0.444 112 Y N 1.728 122.033 120.300 0.008 0.000 2.165 112 Y HA -0.113 4.437 4.550 -0.000 0.000 0.286 112 Y C 1.998 177.910 175.900 0.020 0.000 1.155 112 Y CA 1.162 59.240 58.100 -0.037 0.000 1.164 112 Y CB -0.439 37.969 38.460 -0.087 0.000 0.978 112 Y HN 0.124 nan 8.280 nan 0.000 0.513 113 L N -0.282 120.957 121.223 0.028 0.000 2.093 113 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 113 L C 2.075 178.896 176.870 -0.081 0.000 1.085 113 L CA 1.672 56.483 54.840 -0.049 0.000 0.755 113 L CB -0.509 41.559 42.059 0.014 0.000 0.904 113 L HN 0.233 nan 8.230 nan 0.000 0.435 114 D N -1.037 119.358 120.400 -0.009 0.000 2.103 114 D HA -0.180 4.460 4.640 -0.000 0.000 0.199 114 D C 2.184 178.476 176.300 -0.012 0.000 0.978 114 D CA 1.098 55.103 54.000 0.008 0.000 0.829 114 D CB 0.090 40.927 40.800 0.062 0.000 0.981 114 D HN 0.239 nan 8.370 nan 0.000 0.464 115 H N -0.259 118.753 119.070 -0.096 0.000 2.265 115 H HA -0.158 4.398 4.556 -0.000 0.000 0.295 115 H C 2.014 177.308 175.328 -0.055 0.000 1.084 115 H CA 1.700 57.703 56.048 -0.076 0.000 1.261 115 H CB -0.295 29.432 29.762 -0.058 0.000 1.360 115 H HN 0.197 nan 8.280 nan 0.000 0.487 116 N N 0.951 119.586 118.700 -0.107 0.000 2.061 116 N HA -0.179 4.561 4.740 -0.000 0.000 0.193 116 N C 1.756 177.206 175.510 -0.100 0.000 1.030 116 N CA 1.592 54.519 53.050 -0.205 0.000 0.856 116 N CB -0.370 37.839 38.487 -0.465 0.000 1.023 116 N HN 0.310 nan 8.380 nan 0.000 0.424 117 N N -0.910 117.730 118.700 -0.099 0.000 2.244 117 N HA -0.191 4.549 4.740 -0.000 0.000 0.183 117 N C 1.753 177.215 175.510 -0.079 0.000 1.016 117 N CA 0.902 53.901 53.050 -0.086 0.000 0.866 117 N CB -0.285 38.158 38.487 -0.074 0.000 0.980 117 N HN 0.346 nan 8.380 nan 0.000 0.430 118 F N 0.590 120.409 119.950 -0.218 0.000 2.102 118 F HA -0.114 4.413 4.527 -0.000 0.000 0.298 118 F C 1.727 177.355 175.800 -0.286 0.000 1.105 118 F CA 1.573 59.379 58.000 -0.323 0.000 1.239 118 F CB -0.832 37.837 39.000 -0.551 0.000 0.991 118 F HN 0.060 nan 8.300 nan 0.000 0.474 119 W N 0.618 121.618 121.300 -0.500 0.000 2.379 119 W HA -0.042 4.618 4.660 0.000 0.000 0.307 119 W C 2.851 179.118 176.519 -0.421 0.000 1.200 119 W CA 1.295 58.300 57.345 -0.567 0.000 1.297 119 W CB -0.691 28.587 29.460 -0.303 0.000 1.140 119 W HN -0.104 nan 8.180 nan 0.000 0.507 120 R N 0.208 120.669 120.500 -0.065 0.000 2.096 120 R HA -0.193 4.147 4.340 -0.000 0.000 0.240 120 R C 1.870 178.078 176.300 -0.153 0.000 1.139 120 R CA 2.423 58.453 56.100 -0.118 0.000 0.952 120 R CB -0.739 29.482 30.300 -0.131 0.000 0.854 120 R HN 0.060 nan 8.270 nan 0.000 0.436 121 T N 1.252 115.688 114.554 -0.196 0.000 2.821 121 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 121 T C 1.840 176.400 174.700 -0.234 0.000 1.046 121 T CA 1.325 63.311 62.100 -0.189 0.000 1.139 121 T CB -0.051 68.721 68.868 -0.160 0.000 0.871 121 T HN 0.183 nan 8.240 nan 0.000 0.454 122 M N 1.714 121.111 119.600 -0.338 0.000 2.082 122 M HA -0.132 4.348 4.480 -0.000 0.000 0.258 122 M C 1.836 178.041 176.300 -0.159 0.000 1.069 122 M CA 1.621 56.763 55.300 -0.264 0.000 1.102 122 M CB -1.084 31.346 32.600 -0.283 0.000 1.336 122 M HN 0.196 nan 8.290 nan 0.000 0.404 123 D N 0.434 120.755 120.400 -0.132 0.000 2.123 123 D HA -0.115 4.525 4.640 -0.000 0.000 0.200 123 D C 1.630 177.877 176.300 -0.089 0.000 0.976 123 D CA 1.014 54.953 54.000 -0.102 0.000 0.831 123 D CB -0.370 40.377 40.800 -0.089 0.000 0.974 123 D HN 0.288 nan 8.370 nan 0.000 0.469 124 D N 0.657 121.003 120.400 -0.090 0.000 2.106 124 D HA -0.168 4.472 4.640 -0.000 0.000 0.191 124 D C 2.214 178.507 176.300 -0.010 0.000 0.997 124 D CA 0.941 54.909 54.000 -0.054 0.000 0.834 124 D CB -0.354 40.413 40.800 -0.055 0.000 0.956 124 D HN 0.250 nan 8.370 nan 0.000 0.448 125 M N 0.339 119.904 119.600 -0.058 0.000 2.108 125 M HA -0.084 4.396 4.480 -0.000 0.000 0.261 125 M C 2.385 178.728 176.300 0.072 0.000 1.066 125 M CA 1.743 57.016 55.300 -0.046 0.000 1.107 125 M CB -0.551 31.776 32.600 -0.455 0.000 1.356 125 M HN 0.051 nan 8.290 nan 0.000 0.406 126 G N -0.098 108.689 108.800 -0.022 0.000 2.450 126 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 126 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 126 G C 1.612 176.518 174.900 0.010 0.000 1.130 126 G CA 0.603 45.696 45.100 -0.011 0.000 0.760 126 G HN 0.397 nan 8.290 nan 0.000 0.557 127 R N -0.011 120.493 120.500 0.006 0.000 2.241 127 R HA -0.016 4.324 4.340 -0.000 0.000 0.224 127 R C 1.482 177.793 176.300 0.017 0.000 1.101 127 R CA 0.900 56.995 56.100 -0.007 0.000 0.995 127 R CB 0.118 30.408 30.300 -0.017 0.000 0.870 127 R HN 0.268 nan 8.270 nan 0.000 0.463 128 E N -0.163 120.087 120.200 0.083 0.000 2.481 128 E HA 0.120 4.470 4.350 -0.000 0.000 0.198 128 E C -0.102 176.526 176.600 0.047 0.000 1.027 128 E CA 0.206 56.643 56.400 0.061 0.000 0.900 128 E CB 0.663 30.426 29.700 0.105 0.000 0.993 128 E HN 0.299 nan 8.360 nan 0.000 0.482 129 I N 3.171 123.788 120.570 0.079 0.000 2.330 129 I HA 0.218 4.388 4.170 -0.000 0.000 0.286 129 I C -2.399 173.719 176.117 0.003 0.000 1.025 129 I CA -2.298 59.043 61.300 0.070 0.000 1.197 129 I CB 1.245 39.352 38.000 0.180 0.000 1.358 129 I HN -0.349 nan 8.210 nan 0.000 0.467 130 P HA 0.104 nan 4.420 nan 0.000 0.268 130 P C 0.473 177.742 177.300 -0.052 0.000 1.204 130 P CA 0.165 63.196 63.100 -0.115 0.000 0.768 130 P CB 0.870 32.447 31.700 -0.205 0.000 0.842 131 S N 1.757 117.443 115.700 -0.025 0.000 2.383 131 S HA -0.140 4.330 4.470 -0.000 0.000 0.227 131 S C 1.197 175.899 174.600 0.169 0.000 1.026 131 S CA 1.642 59.912 58.200 0.118 0.000 0.981 131 S CB -0.549 62.619 63.200 -0.053 0.000 0.818 131 S HN 0.665 nan 8.310 nan 0.000 0.472 132 D N 0.620 120.965 120.400 -0.091 0.000 2.339 132 D HA 0.274 4.914 4.640 -0.000 0.000 0.217 132 D C 0.323 176.377 176.300 -0.410 0.000 1.050 132 D CA 0.299 54.200 54.000 -0.165 0.000 0.856 132 D CB 0.105 40.748 40.800 -0.262 0.000 0.922 132 D HN 0.284 nan 8.370 nan 0.000 0.518 133 A N 1.134 123.545 122.820 -0.682 0.000 3.411 133 A HA 0.328 4.648 4.320 -0.000 0.000 0.238 133 A C -2.123 174.682 177.584 -1.298 0.000 1.140 133 A CA -0.737 50.431 52.037 -1.448 0.000 0.980 133 A CB 0.757 19.253 19.000 -0.841 0.000 1.371 133 A HN -0.113 nan 8.150 nan 0.000 0.700 134 P HA -0.192 nan 4.420 nan 0.000 0.218 134 P C 1.298 178.367 177.300 -0.386 0.000 1.148 134 P CA 1.666 64.427 63.100 -0.566 0.000 0.822 134 P CB -0.386 30.927 31.700 -0.644 0.000 0.784 135 W N 0.855 122.069 121.300 -0.143 0.000 2.632 135 W HA 0.059 4.719 4.660 -0.000 0.000 0.248 135 W C 1.266 177.733 176.519 -0.087 0.000 1.259 135 W CA 0.452 57.735 57.345 -0.104 0.000 1.288 135 W CB -1.554 27.840 29.460 -0.111 0.000 1.136 135 W HN -0.064 nan 8.180 nan 0.000 0.640 136 K N 0.609 120.873 120.400 -0.227 0.000 2.358 136 K HA 0.359 4.679 4.320 -0.000 0.000 0.197 136 K C 1.020 177.535 176.600 -0.142 0.000 1.025 136 K CA 0.065 56.272 56.287 -0.134 0.000 1.104 136 K CB 0.100 32.488 32.500 -0.187 0.000 0.855 136 K HN 0.088 nan 8.250 nan 0.000 0.531 137 A N 2.037 124.767 122.820 -0.150 0.000 2.531 137 A HA 0.075 4.395 4.320 -0.000 0.000 0.236 137 A C -1.655 175.796 177.584 -0.222 0.000 1.062 137 A CA -0.907 51.032 52.037 -0.165 0.000 0.760 137 A CB 0.052 18.973 19.000 -0.132 0.000 0.995 137 A HN 0.011 nan 8.150 nan 0.000 0.501 138 P HA -0.093 nan 4.420 nan 0.000 0.218 138 P C 0.469 177.567 177.300 -0.336 0.000 1.148 138 P CA 1.144 64.098 63.100 -0.243 0.000 0.822 138 P CB 0.053 31.627 31.700 -0.210 0.000 0.784 139 L N -1.984 118.871 121.223 -0.612 0.000 2.984 139 L HA 0.358 4.698 4.340 -0.000 0.000 0.246 139 L C 1.800 178.272 176.870 -0.663 0.000 1.268 139 L CA -0.311 54.071 54.840 -0.762 0.000 1.054 139 L CB -0.500 40.814 42.059 -1.243 0.000 1.393 139 L HN -0.094 nan 8.230 nan 0.000 0.532 140 A N 0.585 123.201 122.820 -0.341 0.000 1.883 140 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 140 A C 2.183 179.767 177.584 0.000 0.000 1.186 140 A CA 1.676 53.648 52.037 -0.109 0.000 0.624 140 A CB -0.136 18.849 19.000 -0.025 0.000 0.822 140 A HN 0.520 nan 8.150 nan 0.000 0.444 141 E N -0.824 119.360 120.200 -0.027 0.000 2.047 141 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 141 E C 2.107 178.743 176.600 0.060 0.000 0.987 141 E CA 1.119 57.535 56.400 0.027 0.000 0.799 141 E CB -0.248 29.454 29.700 0.003 0.000 0.752 141 E HN 0.833 nan 8.360 nan 0.000 0.449 142 E N 0.283 120.490 120.200 0.012 0.000 2.058 142 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 142 E C 1.667 178.434 176.600 0.278 0.000 0.997 142 E CA 1.260 57.713 56.400 0.088 0.000 0.801 142 E CB -0.009 29.699 29.700 0.014 0.000 0.746 142 E HN 0.286 nan 8.360 nan 0.000 0.450 143 W N 0.787 122.127 121.300 0.066 0.000 2.518 143 W HA 0.008 4.668 4.660 0.000 0.000 0.273 143 W C 1.818 178.404 176.519 0.112 0.000 1.247 143 W CA 0.616 58.012 57.345 0.086 0.000 1.288 143 W CB -0.749 28.762 29.460 0.085 0.000 1.107 143 W HN 0.229 nan 8.180 nan 0.000 0.586 144 D N -0.524 120.066 120.400 0.318 0.000 2.289 144 D HA -0.098 4.542 4.640 -0.000 0.000 0.207 144 D C 1.283 177.703 176.300 0.200 0.000 0.966 144 D CA 0.872 55.023 54.000 0.252 0.000 0.868 144 D CB -0.145 40.777 40.800 0.203 0.000 0.943 144 D HN -0.134 nan 8.370 nan 0.000 0.514 145 N N 0.038 118.841 118.700 0.171 0.000 2.383 145 N HA 0.089 4.829 4.740 -0.000 0.000 0.192 145 N C 0.062 175.648 175.510 0.127 0.000 1.141 145 N CA 0.147 53.276 53.050 0.132 0.000 0.851 145 N CB 0.046 38.594 38.487 0.101 0.000 0.976 145 N HN 0.458 nan 8.380 nan 0.000 0.465 146 M N -1.156 118.535 119.600 0.152 0.000 2.535 146 M HA 0.485 4.965 4.480 -0.000 0.000 0.314 146 M C -0.077 176.299 176.300 0.126 0.000 1.153 146 M CA -0.825 54.550 55.300 0.124 0.000 0.924 146 M CB 1.925 34.597 32.600 0.121 0.000 1.710 146 M HN -0.125 nan 8.290 nan 0.000 0.451 147 T N -0.457 114.154 114.554 0.094 0.000 2.816 147 T HA 0.280 4.630 4.350 -0.000 0.000 0.282 147 T C 1.127 175.860 174.700 0.055 0.000 0.993 147 T CA -0.843 61.309 62.100 0.088 0.000 0.994 147 T CB 0.834 69.745 68.868 0.071 0.000 1.025 147 T HN 0.792 nan 8.240 nan 0.000 0.529 148 M N 0.258 119.872 119.600 0.025 0.000 2.213 148 M HA -0.040 4.440 4.480 -0.000 0.000 0.263 148 M C 2.206 178.467 176.300 -0.066 0.000 1.062 148 M CA 1.581 56.852 55.300 -0.048 0.000 1.105 148 M CB -1.279 31.208 32.600 -0.188 0.000 1.385 148 M HN 0.869 nan 8.290 nan 0.000 0.417 149 K N 0.708 121.080 120.400 -0.047 0.000 2.032 149 K HA -0.198 4.122 4.320 -0.000 0.000 0.209 149 K C 1.679 178.258 176.600 -0.036 0.000 1.048 149 K CA 1.737 58.001 56.287 -0.038 0.000 0.927 149 K CB 0.020 32.530 32.500 0.017 0.000 0.712 149 K HN 0.408 nan 8.250 nan 0.000 0.441 150 E N 0.727 120.920 120.200 -0.011 0.000 2.038 150 E HA -0.242 4.108 4.350 -0.000 0.000 0.195 150 E C 2.096 178.683 176.600 -0.021 0.000 1.000 150 E CA 1.335 57.728 56.400 -0.012 0.000 0.803 150 E CB -0.283 29.426 29.700 0.015 0.000 0.750 150 E HN 0.199 nan 8.360 nan 0.000 0.448 151 L N 1.325 122.539 121.223 -0.015 0.000 2.013 151 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 151 L C 2.141 178.993 176.870 -0.031 0.000 1.073 151 L CA 1.672 56.496 54.840 -0.025 0.000 0.753 151 L CB -0.390 41.646 42.059 -0.038 0.000 0.890 151 L HN 0.140 nan 8.230 nan 0.000 0.432 152 L N -0.944 120.245 121.223 -0.056 0.000 2.093 152 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 152 L C 2.219 179.018 176.870 -0.117 0.000 1.085 152 L CA 1.205 55.983 54.840 -0.103 0.000 0.755 152 L CB -0.912 41.043 42.059 -0.174 0.000 0.904 152 L HN 0.292 nan 8.230 nan 0.000 0.435 153 D N 0.188 120.525 120.400 -0.105 0.000 2.178 153 D HA -0.191 4.449 4.640 -0.000 0.000 0.201 153 D C 2.134 178.345 176.300 -0.147 0.000 0.980 153 D CA 1.194 55.118 54.000 -0.128 0.000 0.842 153 D CB 0.053 40.791 40.800 -0.105 0.000 0.948 153 D HN 0.234 nan 8.370 nan 0.000 0.472 154 K N -0.319 120.026 120.400 -0.092 0.000 2.031 154 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 154 K C 1.835 178.423 176.600 -0.020 0.000 1.049 154 K CA 0.488 56.736 56.287 -0.064 0.000 0.939 154 K CB 0.075 32.570 32.500 -0.009 0.000 0.717 154 K HN -0.048 nan 8.250 nan 0.000 0.438 155 L N 0.324 121.558 121.223 0.019 0.000 2.249 155 L HA 0.036 4.376 4.340 -0.000 0.000 0.207 155 L C 0.200 177.171 176.870 0.168 0.000 1.090 155 L CA 0.776 55.686 54.840 0.117 0.000 0.802 155 L CB 0.157 42.280 42.059 0.107 0.000 0.947 155 L HN 0.132 nan 8.230 nan 0.000 0.453 156 C N -0.549 118.759 119.300 0.014 0.000 2.225 156 C HA 0.123 4.583 4.460 -0.000 0.000 0.328 156 C C 0.923 175.920 174.990 0.012 0.000 1.187 156 C CA -1.023 57.984 59.018 -0.019 0.000 1.665 156 C CB -1.236 26.384 27.740 -0.199 0.000 2.253 156 C HN 0.528 nan 8.230 nan 0.000 0.497 157 W N 2.062 123.315 121.300 -0.079 0.000 2.937 157 W HA 0.090 4.750 4.660 -0.000 0.000 0.245 157 W C 1.512 178.003 176.519 -0.048 0.000 1.306 157 W CA 0.231 57.545 57.345 -0.051 0.000 1.470 157 W CB -0.236 29.205 29.460 -0.031 0.000 1.132 157 W HN 0.644 nan 8.180 nan 0.000 0.675 158 T N -3.774 110.844 114.554 0.107 0.000 2.908 158 T HA 0.306 4.656 4.350 -0.000 0.000 0.290 158 T C 0.790 175.478 174.700 -0.019 0.000 1.034 158 T CA -0.662 61.471 62.100 0.056 0.000 1.010 158 T CB 2.673 71.593 68.868 0.086 0.000 1.068 158 T HN -0.209 nan 8.240 nan 0.000 0.481 159 E N 0.953 121.148 120.200 -0.009 0.000 2.152 159 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 159 E C 2.194 178.776 176.600 -0.030 0.000 0.983 159 E CA 1.216 57.596 56.400 -0.033 0.000 0.818 159 E CB -0.270 29.421 29.700 -0.015 0.000 0.758 159 E HN 0.762 nan 8.360 nan 0.000 0.467 160 S N 0.825 116.538 115.700 0.022 0.000 2.359 160 S HA -0.172 4.298 4.470 -0.000 0.000 0.224 160 S C 2.143 176.736 174.600 -0.012 0.000 1.035 160 S CA 1.600 59.850 58.200 0.084 0.000 1.018 160 S CB -0.079 63.232 63.200 0.184 0.000 0.876 160 S HN 0.250 nan 8.310 nan 0.000 0.448 161 A N 1.316 124.016 122.820 -0.201 0.000 1.898 161 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 161 A C 2.238 179.471 177.584 -0.585 0.000 1.181 161 A CA 1.650 53.274 52.037 -0.689 0.000 0.620 161 A CB -0.720 17.902 19.000 -0.630 0.000 0.819 161 A HN 0.639 nan 8.150 nan 0.000 0.442 162 K N -0.535 119.642 120.400 -0.372 0.000 2.057 162 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 162 K C 2.287 178.734 176.600 -0.255 0.000 1.049 162 K CA 1.613 57.695 56.287 -0.341 0.000 0.931 162 K CB -0.201 32.167 32.500 -0.220 0.000 0.714 162 K HN 0.621 nan 8.250 nan 0.000 0.440 163 Q N 0.268 119.982 119.800 -0.144 0.000 2.096 163 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 163 Q C 2.146 178.127 176.000 -0.032 0.000 0.982 163 Q CA 1.356 57.126 55.803 -0.054 0.000 0.850 163 Q CB -0.083 28.666 28.738 0.017 0.000 0.901 163 Q HN 0.210 nan 8.270 nan 0.000 0.422 164 L N 0.269 121.461 121.223 -0.051 0.000 2.093 164 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 164 L C 2.094 178.937 176.870 -0.046 0.000 1.085 164 L CA 1.824 56.686 54.840 0.037 0.000 0.755 164 L CB -0.644 41.488 42.059 0.122 0.000 0.904 164 L HN 0.101 nan 8.230 nan 0.000 0.435 165 A N -1.844 120.739 122.820 -0.395 0.000 1.969 165 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 165 A C 2.232 179.724 177.584 -0.154 0.000 1.169 165 A CA 2.041 53.755 52.037 -0.540 0.000 0.635 165 A CB -0.996 17.146 19.000 -1.431 0.000 0.810 165 A HN 0.475 nan 8.150 nan 0.000 0.445 166 T N 0.153 114.607 114.554 -0.166 0.000 2.777 166 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 166 T C 1.875 176.564 174.700 -0.019 0.000 1.040 166 T CA 1.304 63.341 62.100 -0.105 0.000 1.141 166 T CB -0.387 68.429 68.868 -0.086 0.000 0.868 166 T HN 0.421 nan 8.240 nan 0.000 0.444 167 L N 0.356 121.619 121.223 0.066 0.000 2.012 167 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 167 L C 2.262 179.244 176.870 0.187 0.000 1.073 167 L CA 1.608 56.531 54.840 0.138 0.000 0.748 167 L CB -0.448 41.732 42.059 0.202 0.000 0.891 167 L HN 0.199 nan 8.230 nan 0.000 0.431 168 F N 0.117 120.132 119.950 0.109 0.000 2.043 168 F HA -0.280 4.247 4.527 -0.000 0.000 0.297 168 F C 2.136 178.030 175.800 0.156 0.000 1.118 168 F CA 2.297 60.418 58.000 0.202 0.000 1.202 168 F CB -0.950 38.270 39.000 0.366 0.000 0.965 168 F HN -0.093 nan 8.300 nan 0.000 0.482 169 V N 1.041 120.795 119.914 -0.265 0.000 2.261 169 V HA -0.366 3.754 4.120 -0.000 0.000 0.246 169 V C 2.111 178.044 176.094 -0.269 0.000 1.047 169 V CA 2.471 64.453 62.300 -0.530 0.000 1.015 169 V CB -1.075 30.338 31.823 -0.684 0.000 0.642 169 V HN 0.429 nan 8.190 nan 0.000 0.446 170 N N -0.060 118.541 118.700 -0.165 0.000 2.094 170 N HA -0.222 4.518 4.740 -0.000 0.000 0.191 170 N C 1.712 177.165 175.510 -0.095 0.000 1.023 170 N CA 1.344 54.324 53.050 -0.117 0.000 0.857 170 N CB -0.203 38.261 38.487 -0.039 0.000 1.013 170 N HN 0.329 nan 8.380 nan 0.000 0.426 171 L N 0.611 121.815 121.223 -0.032 0.000 2.095 171 L HA 0.007 4.347 4.340 -0.000 0.000 0.204 171 L C 2.025 178.906 176.870 0.019 0.000 1.080 171 L CA 1.376 56.219 54.840 0.005 0.000 0.759 171 L CB -0.561 41.522 42.059 0.041 0.000 0.914 171 L HN 0.219 nan 8.230 nan 0.000 0.439 172 C N -1.257 118.037 119.300 -0.010 0.000 2.429 172 C HA -0.051 4.409 4.460 -0.000 0.000 0.277 172 C C 2.234 177.273 174.990 0.081 0.000 1.262 172 C CA 1.092 60.159 59.018 0.081 0.000 1.733 172 C CB -0.590 27.141 27.740 -0.014 0.000 2.010 172 C HN 0.566 nan 8.230 nan 0.000 0.483 173 V N -2.067 117.804 119.914 -0.072 0.000 3.276 173 V HA 0.304 4.424 4.120 -0.000 0.000 0.319 173 V C 0.758 176.681 176.094 -0.285 0.000 1.476 173 V CA 0.794 63.010 62.300 -0.140 0.000 1.097 173 V CB -1.298 30.577 31.823 0.087 0.000 0.988 173 V HN 0.533 nan 8.190 nan 0.000 0.473 174 T N -1.500 112.810 114.554 -0.405 0.000 3.852 174 T HA -0.093 4.257 4.350 -0.000 0.000 0.361 174 T C 0.152 174.683 174.700 -0.282 0.000 0.759 174 T CA 1.384 63.245 62.100 -0.398 0.000 1.899 174 T CB -2.572 65.923 68.868 -0.621 0.000 1.822 174 T HN 2.449 nan 8.240 nan 0.000 0.778 175 A N -0.329 122.312 122.820 -0.299 0.000 2.594 175 A HA 0.723 5.043 4.320 -0.000 0.000 0.291 175 A C -0.461 176.908 177.584 -0.359 0.000 1.105 175 A CA -1.066 50.727 52.037 -0.407 0.000 0.694 175 A CB 1.230 19.762 19.000 -0.780 0.000 1.291 175 A HN 0.350 nan 8.150 nan 0.000 0.410 176 E N 0.687 120.631 120.200 -0.428 0.000 2.343 176 E HA 0.230 4.580 4.350 -0.000 0.000 0.269 176 E C 1.201 177.491 176.600 -0.515 0.000 1.047 176 E CA 0.518 56.628 56.400 -0.483 0.000 0.874 176 E CB 0.964 30.177 29.700 -0.811 0.000 1.033 176 E HN 0.808 nan 8.360 nan 0.000 0.409 177 T N -1.038 113.293 114.554 -0.371 0.000 2.803 177 T HA -0.222 4.128 4.350 -0.000 0.000 0.269 177 T C 1.421 176.009 174.700 -0.188 0.000 1.052 177 T CA 1.715 63.653 62.100 -0.271 0.000 1.136 177 T CB -0.407 68.346 68.868 -0.192 0.000 0.864 177 T HN 0.635 nan 8.240 nan 0.000 0.467 178 H N 0.408 119.417 119.070 -0.103 0.000 2.555 178 H HA 0.275 4.831 4.556 -0.000 0.000 0.269 178 H C 1.437 176.733 175.328 -0.054 0.000 0.988 178 H CA 0.717 56.725 56.048 -0.068 0.000 1.178 178 H CB -0.152 29.570 29.762 -0.066 0.000 1.373 178 H HN 0.503 nan 8.280 nan 0.000 0.588 179 E N 1.294 121.311 120.200 -0.306 0.000 2.340 179 E HA 0.057 4.407 4.350 -0.000 0.000 0.194 179 E C 0.731 177.282 176.600 -0.080 0.000 0.996 179 E CA 0.374 56.657 56.400 -0.196 0.000 0.869 179 E CB 0.934 30.382 29.700 -0.420 0.000 0.835 179 E HN 0.356 nan 8.360 nan 0.000 0.493 180 V N -1.067 118.802 119.914 -0.075 0.000 2.715 180 V HA 0.457 4.577 4.120 -0.000 0.000 0.310 180 V C -0.075 176.150 176.094 0.219 0.000 1.054 180 V CA -1.182 61.179 62.300 0.101 0.000 0.928 180 V CB 1.846 33.774 31.823 0.175 0.000 1.007 180 V HN -0.006 nan 8.190 nan 0.000 0.437 181 S N 3.239 119.143 115.700 0.341 0.000 2.549 181 S HA 0.492 4.962 4.470 -0.000 0.000 0.283 181 S C 1.432 176.277 174.600 0.408 0.000 1.320 181 S CA 0.188 58.598 58.200 0.351 0.000 1.058 181 S CB 1.026 64.457 63.200 0.384 0.000 0.882 181 S HN 1.860 nan 8.310 nan 0.000 0.498 182 A N 4.630 127.621 122.820 0.285 0.000 1.883 182 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 182 A C 2.047 179.802 177.584 0.286 0.000 1.186 182 A CA 1.725 53.903 52.037 0.234 0.000 0.624 182 A CB -1.016 18.047 19.000 0.104 0.000 0.822 182 A HN 1.044 nan 8.150 nan 0.000 0.444 183 L N -1.522 119.913 121.223 0.354 0.000 2.012 183 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 183 L C 2.238 179.335 176.870 0.378 0.000 1.073 183 L CA 2.566 57.643 54.840 0.395 0.000 0.748 183 L CB -0.703 41.591 42.059 0.393 0.000 0.891 183 L HN 0.661 nan 8.230 nan 0.000 0.431 184 W N -0.555 120.898 121.300 0.254 0.000 2.381 184 W HA -0.265 4.395 4.660 -0.000 0.000 0.301 184 W C 2.324 179.099 176.519 0.425 0.000 1.205 184 W CA 1.860 59.374 57.345 0.281 0.000 1.285 184 W CB -0.639 28.972 29.460 0.250 0.000 1.133 184 W HN 0.297 nan 8.180 nan 0.000 0.521 185 F N 0.805 120.814 119.950 0.098 0.000 2.146 185 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 185 F C 2.043 177.752 175.800 -0.151 0.000 1.096 185 F CA 2.143 59.991 58.000 -0.253 0.000 1.275 185 F CB -0.668 38.335 39.000 0.005 0.000 1.008 185 F HN -0.162 nan 8.300 nan 0.000 0.480 186 L N -1.156 120.070 121.223 0.005 0.000 2.046 186 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 186 L C 2.305 179.110 176.870 -0.108 0.000 1.077 186 L CA 1.681 56.478 54.840 -0.071 0.000 0.747 186 L CB -1.034 41.011 42.059 -0.022 0.000 0.896 186 L HN 0.462 nan 8.230 nan 0.000 0.432 187 W N 0.085 121.258 121.300 -0.212 0.000 2.354 187 W HA -0.321 4.339 4.660 -0.000 0.000 0.315 187 W C 2.652 178.958 176.519 -0.355 0.000 1.206 187 W CA 1.624 58.828 57.345 -0.236 0.000 1.290 187 W CB -0.703 28.645 29.460 -0.187 0.000 1.152 187 W HN 0.117 nan 8.180 nan 0.000 0.489 188 Y N 0.798 120.680 120.300 -0.696 0.000 2.102 188 Y HA -0.352 4.198 4.550 -0.000 0.000 0.280 188 Y C 2.371 177.722 175.900 -0.915 0.000 1.178 188 Y CA 3.204 60.658 58.100 -1.076 0.000 1.146 188 Y CB -0.921 36.858 38.460 -1.134 0.000 0.968 188 Y HN -0.113 nan 8.280 nan 0.000 0.504 189 V N 0.992 120.491 119.914 -0.691 0.000 2.307 189 V HA -0.276 3.844 4.120 -0.000 0.000 0.245 189 V C 2.511 178.278 176.094 -0.545 0.000 1.045 189 V CA 2.206 64.176 62.300 -0.550 0.000 1.024 189 V CB -0.717 30.883 31.823 -0.372 0.000 0.651 189 V HN 0.342 nan 8.190 nan 0.000 0.449 190 K N 1.126 121.238 120.400 -0.479 0.000 2.063 190 K HA -0.280 4.040 4.320 -0.000 0.000 0.208 190 K C 2.135 178.409 176.600 -0.543 0.000 1.048 190 K CA 2.392 58.433 56.287 -0.410 0.000 0.928 190 K CB -0.221 32.112 32.500 -0.278 0.000 0.713 190 K HN 0.733 nan 8.250 nan 0.000 0.442 191 Q N -0.734 118.593 119.800 -0.788 0.000 2.488 191 Q HA -0.032 4.308 4.340 -0.000 0.000 0.211 191 Q C 1.544 177.055 176.000 -0.814 0.000 0.967 191 Q CA 1.200 56.535 55.803 -0.781 0.000 0.926 191 Q CB -0.446 27.635 28.738 -1.096 0.000 0.992 191 Q HN 0.179 nan 8.270 nan 0.000 0.506 192 C N 0.040 118.708 119.300 -1.053 0.000 2.791 192 C HA 0.603 5.063 4.460 -0.000 0.000 0.270 192 C C 1.529 175.833 174.990 -1.144 0.000 1.257 192 C CA 0.117 58.115 59.018 -1.700 0.000 1.699 192 C CB -0.779 25.888 27.740 -1.788 0.000 1.904 192 C HN 0.833 nan 8.230 nan 0.000 0.603 193 G N 0.081 108.509 108.800 -0.621 0.000 2.159 193 G HA2 0.305 4.265 3.960 -0.000 0.000 0.227 193 G HA3 0.305 4.265 3.960 -0.000 0.000 0.227 193 G C 0.440 175.179 174.900 -0.268 0.000 0.986 193 G CA -0.013 44.879 45.100 -0.347 0.000 0.651 193 G HN 1.637 nan 8.290 nan 0.000 0.523 194 G N -2.072 106.547 108.800 -0.301 0.000 2.525 194 G HA2 0.349 4.309 3.960 -0.000 0.000 0.685 194 G HA3 0.349 4.309 3.960 -0.000 0.000 0.685 194 G C 1.007 175.829 174.900 -0.130 0.000 1.290 194 G CA 0.956 45.944 45.100 -0.187 0.000 0.915 194 G HN 1.831 nan 8.290 nan 0.000 0.548 195 T N -2.922 111.598 114.554 -0.057 0.000 2.684 195 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 195 T C 2.336 176.951 174.700 -0.141 0.000 1.036 195 T CA 2.994 65.072 62.100 -0.037 0.000 1.148 195 T CB -0.805 68.065 68.868 0.003 0.000 0.863 195 T HN 0.953 nan 8.240 nan 0.000 0.436 196 T N 1.312 115.805 114.554 -0.101 0.000 2.737 196 T HA -0.011 4.339 4.350 -0.000 0.000 0.265 196 T C 2.121 176.732 174.700 -0.147 0.000 1.038 196 T CA 1.437 63.446 62.100 -0.153 0.000 1.144 196 T CB -0.327 68.536 68.868 -0.009 0.000 0.866 196 T HN 0.312 nan 8.240 nan 0.000 0.434 197 R N 1.025 121.471 120.500 -0.090 0.000 2.081 197 R HA 0.116 4.456 4.340 -0.000 0.000 0.235 197 R C 2.159 178.468 176.300 0.014 0.000 1.131 197 R CA 1.239 57.318 56.100 -0.035 0.000 0.960 197 R CB -0.847 29.427 30.300 -0.042 0.000 0.856 197 R HN 0.452 nan 8.270 nan 0.000 0.436 198 I N 0.145 120.689 120.570 -0.045 0.000 2.617 198 I HA -0.127 4.043 4.170 -0.000 0.000 0.256 198 I C 1.413 177.582 176.117 0.087 0.000 1.167 198 I CA 0.984 62.311 61.300 0.045 0.000 1.469 198 I CB 0.110 38.101 38.000 -0.015 0.000 1.098 198 I HN 0.314 nan 8.210 nan 0.000 0.436 199 I N -2.726 117.826 120.570 -0.031 0.000 3.645 199 I HA 0.162 4.332 4.170 -0.000 0.000 0.300 199 I C 0.970 176.998 176.117 -0.148 0.000 1.260 199 I CA 0.042 61.283 61.300 -0.098 0.000 1.365 199 I CB -0.259 37.584 38.000 -0.262 0.000 1.077 199 I HN -0.148 nan 8.210 nan 0.000 0.439 200 S N 1.406 117.012 115.700 -0.158 0.000 2.565 200 S HA 0.247 4.717 4.470 -0.000 0.000 0.276 200 S C 1.025 175.575 174.600 -0.084 0.000 1.326 200 S CA -0.043 58.066 58.200 -0.150 0.000 1.045 200 S CB 1.304 64.418 63.200 -0.143 0.000 0.918 200 S HN 0.373 nan 8.310 nan 0.000 0.505 201 T N 2.300 116.809 114.554 -0.074 0.000 3.000 201 T HA 0.019 4.369 4.350 -0.000 0.000 0.233 201 T C 0.565 175.228 174.700 -0.062 0.000 1.036 201 T CA 0.569 62.628 62.100 -0.068 0.000 1.333 201 T CB -0.422 68.412 68.868 -0.057 0.000 1.048 201 T HN 0.620 nan 8.240 nan 0.000 0.425 202 T N 3.711 118.234 114.554 -0.051 0.000 2.778 202 T HA 0.098 4.448 4.350 -0.000 0.000 0.282 202 T C 0.662 175.336 174.700 -0.044 0.000 0.983 202 T CA 0.548 62.624 62.100 -0.041 0.000 1.193 202 T CB -0.358 68.493 68.868 -0.028 0.000 0.938 202 T HN 0.562 nan 8.240 nan 0.000 0.523 203 N N 0.890 119.566 118.700 -0.040 0.000 2.818 203 N HA -0.135 4.605 4.740 -0.000 0.000 0.250 203 N C 0.070 175.563 175.510 -0.028 0.000 1.108 203 N CA 1.382 54.414 53.050 -0.031 0.000 0.745 203 N CB -1.093 37.381 38.487 -0.022 0.000 1.104 203 N HN 0.993 nan 8.380 nan 0.000 0.557 204 G N -3.029 105.747 108.800 -0.039 0.000 2.782 204 G HA2 0.550 4.510 3.960 -0.000 0.000 0.304 204 G HA3 0.550 4.510 3.960 -0.000 0.000 0.304 204 G C 0.898 175.769 174.900 -0.048 0.000 1.315 204 G CA -0.008 45.087 45.100 -0.010 0.000 0.791 204 G HN 0.386 nan 8.290 nan 0.000 0.519 205 G N -0.985 107.819 108.800 0.007 0.000 2.501 205 G HA2 0.019 3.979 3.960 -0.000 0.000 0.220 205 G HA3 0.019 3.979 3.960 -0.000 0.000 0.220 205 G C 1.134 175.968 174.900 -0.110 0.000 1.114 205 G CA 1.101 46.103 45.100 -0.163 0.000 0.757 205 G HN 0.401 nan 8.290 nan 0.000 0.559 206 Q N -0.656 119.092 119.800 -0.088 0.000 2.179 206 Q HA 0.267 4.607 4.340 -0.000 0.000 0.213 206 Q C 1.693 177.643 176.000 -0.084 0.000 0.833 206 Q CA -0.160 55.558 55.803 -0.142 0.000 0.990 206 Q CB 0.655 29.203 28.738 -0.316 0.000 1.132 206 Q HN 0.575 nan 8.270 nan 0.000 0.493 207 E N 0.586 120.735 120.200 -0.086 0.000 2.130 207 E HA -0.127 4.223 4.350 -0.000 0.000 0.196 207 E C -0.049 176.492 176.600 -0.098 0.000 0.998 207 E CA 0.896 57.246 56.400 -0.084 0.000 0.806 207 E CB 0.389 30.031 29.700 -0.096 0.000 0.738 207 E HN 0.131 nan 8.360 nan 0.000 0.459 208 R N -1.034 119.386 120.500 -0.133 0.000 2.774 208 R HA 0.419 4.759 4.340 -0.000 0.000 0.272 208 R C -1.154 174.915 176.300 -0.385 0.000 1.000 208 R CA -0.693 55.232 56.100 -0.291 0.000 0.906 208 R CB 2.014 32.125 30.300 -0.315 0.000 1.227 208 R HN -0.179 nan 8.270 nan 0.000 0.468 209 K N 0.703 120.706 120.400 -0.660 0.000 2.395 209 K HA 0.460 4.780 4.320 -0.000 0.000 0.245 209 K C -1.120 175.142 176.600 -0.563 0.000 1.017 209 K CA -0.705 55.206 56.287 -0.627 0.000 0.852 209 K CB 1.465 33.663 32.500 -0.504 0.000 1.311 209 K HN 0.245 nan 8.250 nan 0.000 0.452 210 F N 1.210 121.097 119.950 -0.105 0.000 2.420 210 F HA 0.151 4.678 4.527 -0.000 0.000 0.352 210 F C 0.386 176.250 175.800 0.108 0.000 1.108 210 F CA -0.995 56.995 58.000 -0.017 0.000 1.162 210 F CB 0.989 39.958 39.000 -0.052 0.000 1.118 210 F HN 0.020 nan 8.300 nan 0.000 0.510 211 V N 4.086 124.220 119.914 0.366 0.000 2.506 211 V HA 0.110 4.230 4.120 -0.000 0.000 0.296 211 V C 1.035 177.064 176.094 -0.109 0.000 1.004 211 V CA 1.435 63.877 62.300 0.236 0.000 1.150 211 V CB -0.264 31.666 31.823 0.178 0.000 0.911 211 V HN 1.142 nan 8.190 nan 0.000 0.476 212 G N 3.125 111.518 108.800 -0.679 0.000 2.195 212 G HA2 0.157 4.117 3.960 -0.000 0.000 0.246 212 G HA3 0.157 4.117 3.960 -0.000 0.000 0.246 212 G C 0.775 175.113 174.900 -0.936 0.000 0.984 212 G CA -0.081 44.188 45.100 -1.384 0.000 0.633 212 G HN 2.526 nan 8.290 nan 0.000 0.525 213 G N -1.399 107.218 108.800 -0.305 0.000 2.906 213 G HA2 0.398 4.358 3.960 -0.000 0.000 0.686 213 G HA3 0.398 4.358 3.960 -0.000 0.000 0.686 213 G C 0.801 175.723 174.900 0.037 0.000 1.170 213 G CA 0.882 45.979 45.100 -0.006 0.000 0.775 213 G HN 1.875 nan 8.290 nan 0.000 0.630 214 S N 0.605 116.389 115.700 0.140 0.000 2.442 214 S HA 0.050 4.520 4.470 -0.000 0.000 0.236 214 S C 2.632 177.238 174.600 0.010 0.000 1.007 214 S CA 1.838 60.123 58.200 0.142 0.000 0.965 214 S CB -0.277 63.054 63.200 0.219 0.000 0.773 214 S HN 2.237 nan 8.310 nan 0.000 0.504 215 G N 1.457 110.271 108.800 0.023 0.000 2.475 215 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.220 215 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.220 215 G C 1.458 176.337 174.900 -0.035 0.000 1.125 215 G CA 0.910 46.023 45.100 0.021 0.000 0.755 215 G HN 0.671 nan 8.290 nan 0.000 0.565 216 Q N -0.268 119.475 119.800 -0.094 0.000 2.291 216 Q HA -0.044 4.296 4.340 -0.000 0.000 0.206 216 Q C 2.740 178.649 176.000 -0.151 0.000 0.976 216 Q CA 0.955 56.681 55.803 -0.130 0.000 0.875 216 Q CB -0.167 28.465 28.738 -0.176 0.000 0.927 216 Q HN 0.445 nan 8.270 nan 0.000 0.450 217 V N 0.204 120.008 119.914 -0.183 0.000 2.261 217 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 217 V C 2.116 178.151 176.094 -0.099 0.000 1.047 217 V CA 2.129 64.320 62.300 -0.181 0.000 1.015 217 V CB -0.545 31.157 31.823 -0.201 0.000 0.642 217 V HN 0.298 nan 8.190 nan 0.000 0.446 218 S N -0.707 114.959 115.700 -0.055 0.000 2.371 218 S HA -0.176 4.294 4.470 -0.000 0.000 0.224 218 S C 1.906 176.486 174.600 -0.034 0.000 1.029 218 S CA 1.356 59.539 58.200 -0.029 0.000 0.978 218 S CB -0.265 62.940 63.200 0.008 0.000 0.833 218 S HN 0.673 nan 8.310 nan 0.000 0.466 219 E N 1.151 121.331 120.200 -0.032 0.000 2.070 219 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 219 E C 2.365 178.935 176.600 -0.051 0.000 1.004 219 E CA 1.118 57.498 56.400 -0.033 0.000 0.805 219 E CB -0.120 29.560 29.700 -0.034 0.000 0.744 219 E HN 0.359 nan 8.360 nan 0.000 0.451 220 R N 0.155 120.613 120.500 -0.069 0.000 2.092 220 R HA -0.057 4.283 4.340 -0.000 0.000 0.231 220 R C 2.419 178.676 176.300 -0.072 0.000 1.119 220 R CA 0.931 56.987 56.100 -0.074 0.000 0.970 220 R CB -0.225 30.020 30.300 -0.091 0.000 0.864 220 R HN 0.219 nan 8.270 nan 0.000 0.440 221 I N 0.717 121.243 120.570 -0.073 0.000 2.179 221 I HA -0.311 3.859 4.170 -0.000 0.000 0.242 221 I C 2.710 178.776 176.117 -0.085 0.000 1.088 221 I CA 1.256 62.509 61.300 -0.078 0.000 1.357 221 I CB -0.230 37.728 38.000 -0.069 0.000 1.051 221 I HN 0.205 nan 8.210 nan 0.000 0.409 222 M N 0.823 120.384 119.600 -0.066 0.000 2.149 222 M HA -0.270 4.210 4.480 -0.000 0.000 0.261 222 M C 1.675 177.937 176.300 -0.063 0.000 1.064 222 M CA 1.993 57.256 55.300 -0.061 0.000 1.102 222 M CB -0.249 32.328 32.600 -0.039 0.000 1.369 222 M HN 0.170 nan 8.290 nan 0.000 0.408 223 D N 0.726 121.092 120.400 -0.057 0.000 2.092 223 D HA -0.167 4.473 4.640 -0.000 0.000 0.193 223 D C 2.040 178.304 176.300 -0.061 0.000 0.994 223 D CA 1.525 55.495 54.000 -0.050 0.000 0.828 223 D CB -0.587 40.186 40.800 -0.045 0.000 0.963 223 D HN 0.431 nan 8.370 nan 0.000 0.450 224 L N 0.164 121.339 121.223 -0.079 0.000 2.127 224 L HA -0.145 4.195 4.340 -0.000 0.000 0.211 224 L C 2.289 179.050 176.870 -0.181 0.000 1.089 224 L CA 0.738 55.516 54.840 -0.104 0.000 0.757 224 L CB -0.290 41.703 42.059 -0.109 0.000 0.899 224 L HN 0.042 nan 8.230 nan 0.000 0.434 225 L N -1.068 120.035 121.223 -0.200 0.000 2.558 225 L HA 0.164 4.504 4.340 -0.000 0.000 0.225 225 L C 1.693 178.493 176.870 -0.116 0.000 1.128 225 L CA 0.226 54.914 54.840 -0.252 0.000 0.868 225 L CB -0.687 41.238 42.059 -0.223 0.000 1.006 225 L HN 0.411 nan 8.230 nan 0.000 0.454 226 G N 2.137 110.893 108.800 -0.074 0.000 2.672 226 G HA2 -0.449 3.511 3.960 -0.000 0.000 0.324 226 G HA3 -0.449 3.511 3.960 -0.000 0.000 0.324 226 G C 0.584 175.470 174.900 -0.024 0.000 1.286 226 G CA 0.620 45.700 45.100 -0.033 0.000 1.004 226 G HN 0.550 nan 8.290 nan 0.000 0.548 227 D N 0.908 121.306 120.400 -0.004 0.000 2.319 227 D HA 0.074 4.714 4.640 -0.000 0.000 0.230 227 D C 2.015 178.324 176.300 0.015 0.000 1.094 227 D CA 0.374 54.378 54.000 0.007 0.000 0.856 227 D CB -0.270 40.541 40.800 0.018 0.000 0.915 227 D HN 0.619 nan 8.370 nan 0.000 0.517 228 R N -0.094 120.408 120.500 0.003 0.000 2.148 228 R HA 0.048 4.388 4.340 -0.000 0.000 0.227 228 R C 0.482 176.770 176.300 -0.020 0.000 1.103 228 R CA 0.403 56.506 56.100 0.005 0.000 0.983 228 R CB 0.142 30.440 30.300 -0.002 0.000 0.874 228 R HN 0.072 nan 8.270 nan 0.000 0.451 229 V N 3.245 123.139 119.914 -0.033 0.000 2.408 229 V HA 0.065 4.185 4.120 -0.000 0.000 0.267 229 V C -0.065 176.008 176.094 -0.035 0.000 1.047 229 V CA -0.149 62.125 62.300 -0.044 0.000 0.937 229 V CB 1.120 32.916 31.823 -0.044 0.000 0.999 229 V HN 0.063 nan 8.190 nan 0.000 0.472 230 K N 6.641 127.007 120.400 -0.057 0.000 2.281 230 K HA 0.534 4.854 4.320 -0.000 0.000 0.272 230 K C -0.624 175.943 176.600 -0.055 0.000 1.048 230 K CA -0.305 55.957 56.287 -0.042 0.000 0.898 230 K CB 1.744 34.214 32.500 -0.050 0.000 1.128 230 K HN 0.488 nan 8.250 nan 0.000 0.460 231 L N 1.710 122.912 121.223 -0.034 0.000 2.399 231 L HA 0.184 4.524 4.340 -0.000 0.000 0.266 231 L C 0.740 177.584 176.870 -0.044 0.000 1.114 231 L CA -0.254 54.561 54.840 -0.042 0.000 0.804 231 L CB 0.283 42.327 42.059 -0.025 0.000 1.146 231 L HN 0.693 nan 8.230 nan 0.000 0.451 232 E N 0.262 120.421 120.200 -0.067 0.000 2.476 232 E HA -0.235 4.115 4.350 -0.000 0.000 0.251 232 E C -0.431 176.130 176.600 -0.066 0.000 1.130 232 E CA 0.272 56.631 56.400 -0.069 0.000 0.736 232 E CB -0.925 28.756 29.700 -0.032 0.000 1.298 232 E HN 0.381 nan 8.360 nan 0.000 0.400 233 R N 0.321 120.766 120.500 -0.091 0.000 3.050 233 R HA 0.239 4.579 4.340 -0.000 0.000 0.275 233 R C -2.653 173.571 176.300 -0.126 0.000 1.373 233 R CA -2.131 53.921 56.100 -0.080 0.000 1.612 233 R CB 0.405 30.659 30.300 -0.075 0.000 1.218 233 R HN 0.008 nan 8.270 nan 0.000 0.621 234 P HA 0.006 nan 4.420 nan 0.000 0.271 234 P C -0.267 176.998 177.300 -0.058 0.000 1.233 234 P CA -0.152 62.852 63.100 -0.161 0.000 0.764 234 P CB 0.824 32.449 31.700 -0.125 0.000 0.825 235 V N 5.607 125.493 119.914 -0.048 0.000 2.585 235 V HA -0.013 4.107 4.120 -0.000 0.000 0.296 235 V C 1.770 177.882 176.094 0.029 0.000 1.035 235 V CA 0.632 62.925 62.300 -0.012 0.000 1.084 235 V CB -0.000 31.803 31.823 -0.032 0.000 0.953 235 V HN 0.537 nan 8.190 nan 0.000 0.483 236 I N 1.434 122.034 120.570 0.049 0.000 4.403 236 I HA 0.458 4.628 4.170 -0.000 0.000 0.331 236 I C 0.019 176.232 176.117 0.159 0.000 1.327 236 I CA 0.045 61.405 61.300 0.099 0.000 1.175 236 I CB 0.542 38.576 38.000 0.057 0.000 1.165 236 I HN 0.501 nan 8.210 nan 0.000 0.413 237 Y N 1.837 122.084 120.300 -0.088 0.000 2.442 237 Y HA 0.699 5.249 4.550 -0.000 0.000 0.330 237 Y C -1.857 173.952 175.900 -0.151 0.000 1.100 237 Y CA -1.381 56.648 58.100 -0.119 0.000 1.034 237 Y CB 1.759 40.180 38.460 -0.064 0.000 1.285 237 Y HN -0.030 nan 8.280 nan 0.000 0.440 238 I N 5.887 125.971 120.570 -0.810 0.000 2.468 238 I HA 0.270 4.440 4.170 -0.000 0.000 0.285 238 I C -1.460 174.267 176.117 -0.649 0.000 1.039 238 I CA -0.673 60.272 61.300 -0.592 0.000 1.074 238 I CB 1.812 39.594 38.000 -0.362 0.000 1.228 238 I HN 0.532 nan 8.210 nan 0.000 0.436 239 D N 6.417 126.530 120.400 -0.480 0.000 2.381 239 D HA 0.269 4.909 4.640 -0.000 0.000 0.235 239 D C -0.246 176.003 176.300 -0.085 0.000 1.068 239 D CA -0.149 53.686 54.000 -0.275 0.000 0.832 239 D CB 1.633 42.349 40.800 -0.140 0.000 1.101 239 D HN 0.528 nan 8.370 nan 0.000 0.515 240 Q N 1.880 121.659 119.800 -0.035 0.000 2.157 240 Q HA 0.078 4.418 4.340 -0.000 0.000 0.229 240 Q C 1.190 177.192 176.000 0.002 0.000 0.827 240 Q CA -0.020 55.778 55.803 -0.009 0.000 1.055 240 Q CB 0.887 29.631 28.738 0.010 0.000 1.157 240 Q HN 0.550 nan 8.270 nan 0.000 0.482 241 T N -2.760 111.801 114.554 0.012 0.000 3.043 241 T HA 0.115 4.465 4.350 -0.000 0.000 0.263 241 T C 1.093 175.802 174.700 0.016 0.000 1.094 241 T CA 0.252 62.365 62.100 0.022 0.000 1.127 241 T CB 0.369 69.260 68.868 0.039 0.000 0.905 241 T HN 0.054 nan 8.240 nan 0.000 0.490 242 R N 0.386 120.893 120.500 0.011 0.000 2.740 242 R HA 0.457 4.797 4.340 -0.000 0.000 0.223 242 R C 1.771 178.066 176.300 -0.007 0.000 1.362 242 R CA -0.603 55.501 56.100 0.007 0.000 1.069 242 R CB 0.457 30.765 30.300 0.014 0.000 1.739 242 R HN 0.143 nan 8.270 nan 0.000 0.533 243 E N 0.562 120.756 120.200 -0.010 0.000 2.051 243 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 243 E C -0.274 176.301 176.600 -0.042 0.000 0.991 243 E CA 1.083 57.469 56.400 -0.022 0.000 0.799 243 E CB 0.189 29.880 29.700 -0.016 0.000 0.748 243 E HN 0.265 nan 8.360 nan 0.000 0.449 244 N N 0.156 118.837 118.700 -0.032 0.000 2.417 244 N HA 0.180 4.920 4.740 -0.000 0.000 0.300 244 N C -1.028 174.463 175.510 -0.031 0.000 1.102 244 N CA -0.415 52.609 53.050 -0.043 0.000 0.886 244 N CB 2.103 40.576 38.487 -0.023 0.000 1.203 244 N HN -0.152 nan 8.380 nan 0.000 0.496 245 V N 2.234 122.122 119.914 -0.042 0.000 2.572 245 V HA 0.126 4.246 4.120 -0.000 0.000 0.291 245 V C 0.498 176.596 176.094 0.007 0.000 1.039 245 V CA -0.141 62.145 62.300 -0.022 0.000 1.055 245 V CB 0.065 31.876 31.823 -0.020 0.000 0.969 245 V HN 0.374 nan 8.190 nan 0.000 0.482 246 L N 5.649 126.876 121.223 0.007 0.000 2.296 246 L HA 0.579 4.919 4.340 -0.000 0.000 0.286 246 L C -0.538 176.349 176.870 0.027 0.000 1.023 246 L CA -0.347 54.517 54.840 0.041 0.000 0.812 246 L CB 1.849 43.949 42.059 0.068 0.000 1.223 246 L HN 0.400 nan 8.230 nan 0.000 0.421 247 V N 3.125 123.094 119.914 0.091 0.000 2.443 247 V HA 0.350 4.470 4.120 -0.000 0.000 0.293 247 V C -0.303 175.903 176.094 0.187 0.000 1.021 247 V CA -0.655 61.698 62.300 0.089 0.000 0.848 247 V CB 1.727 33.591 31.823 0.069 0.000 0.998 247 V HN 0.712 nan 8.190 nan 0.000 0.424 248 E N 3.006 123.318 120.200 0.187 0.000 2.191 248 E HA 0.641 4.991 4.350 -0.000 0.000 0.274 248 E C -0.202 176.479 176.600 0.135 0.000 0.948 248 E CA -0.451 56.067 56.400 0.197 0.000 0.802 248 E CB 1.792 31.623 29.700 0.219 0.000 1.137 248 E HN 0.823 nan 8.360 nan 0.000 0.397 249 T N 1.063 115.693 114.554 0.126 0.000 2.944 249 T HA 0.187 4.537 4.350 -0.000 0.000 0.284 249 T C 0.966 175.646 174.700 -0.033 0.000 1.010 249 T CA -0.839 61.293 62.100 0.053 0.000 1.025 249 T CB 1.153 70.069 68.868 0.081 0.000 1.079 249 T HN 0.466 nan 8.240 nan 0.000 0.516 250 L N 1.679 122.859 121.223 -0.071 0.000 2.083 250 L HA 0.012 4.352 4.340 -0.000 0.000 0.209 250 L C 2.079 178.753 176.870 -0.327 0.000 1.083 250 L CA 2.198 56.946 54.840 -0.154 0.000 0.752 250 L CB -1.135 40.882 42.059 -0.071 0.000 0.899 250 L HN 0.925 nan 8.230 nan 0.000 0.433 251 N N -3.250 115.333 118.700 -0.194 0.000 2.521 251 N HA -0.153 4.587 4.740 -0.000 0.000 0.188 251 N C 0.142 175.605 175.510 -0.078 0.000 1.146 251 N CA 0.632 53.589 53.050 -0.154 0.000 0.893 251 N CB -0.128 38.352 38.487 -0.011 0.000 0.975 251 N HN 0.495 nan 8.380 nan 0.000 0.451 252 H N -2.278 116.808 119.070 0.026 0.000 3.817 252 H HA -0.114 4.442 4.556 -0.000 0.000 0.148 252 H C -0.710 174.625 175.328 0.011 0.000 0.766 252 H CA 0.525 56.578 56.048 0.009 0.000 1.241 252 H CB -1.526 28.230 29.762 -0.010 0.000 0.797 252 H HN 0.517 nan 8.280 nan 0.000 0.513 253 E N 0.816 121.083 120.200 0.113 0.000 2.422 253 E HA 0.301 4.651 4.350 -0.000 0.000 0.260 253 E C 0.313 176.939 176.600 0.042 0.000 1.108 253 E CA 0.213 56.639 56.400 0.043 0.000 0.943 253 E CB 0.680 30.436 29.700 0.092 0.000 0.961 253 E HN 0.041 nan 8.360 nan 0.000 0.443 254 M N 2.245 121.754 119.600 -0.152 0.000 2.327 254 M HA 0.339 4.819 4.480 -0.000 0.000 0.298 254 M C -2.080 174.044 176.300 -0.294 0.000 1.065 254 M CA -0.333 54.926 55.300 -0.069 0.000 0.916 254 M CB 1.220 33.797 32.600 -0.039 0.000 1.630 254 M HN 0.362 nan 8.290 nan 0.000 0.442 255 Y N 1.621 121.937 120.300 0.028 0.000 2.425 255 Y HA 0.602 5.152 4.550 -0.000 0.000 0.344 255 Y C -0.434 175.476 175.900 0.016 0.000 0.969 255 Y CA -0.722 57.390 58.100 0.019 0.000 1.052 255 Y CB 1.962 40.431 38.460 0.015 0.000 1.215 255 Y HN 0.549 nan 8.280 nan 0.000 0.451 256 E N 1.673 121.954 120.200 0.136 0.000 2.199 256 E HA 0.849 5.199 4.350 -0.000 0.000 0.269 256 E C -1.202 175.445 176.600 0.078 0.000 0.899 256 E CA -0.908 55.539 56.400 0.080 0.000 0.772 256 E CB 2.152 31.875 29.700 0.037 0.000 1.155 256 E HN 0.715 nan 8.360 nan 0.000 0.408 257 A N 2.269 125.118 122.820 0.049 0.000 2.593 257 A HA 0.370 4.690 4.320 -0.000 0.000 0.290 257 A C -0.043 177.529 177.584 -0.019 0.000 1.126 257 A CA -0.639 51.423 52.037 0.041 0.000 0.695 257 A CB 1.327 20.370 19.000 0.071 0.000 1.290 257 A HN 0.589 nan 8.150 nan 0.000 0.414 258 K N -0.801 119.581 120.400 -0.030 0.000 2.116 258 K HA 0.117 4.437 4.320 -0.000 0.000 0.203 258 K C -0.611 175.697 176.600 -0.487 0.000 1.052 258 K CA 1.494 57.644 56.287 -0.230 0.000 0.952 258 K CB -0.083 32.347 32.500 -0.117 0.000 0.729 258 K HN 0.595 nan 8.250 nan 0.000 0.446 259 Y N -1.271 119.056 120.300 0.045 0.000 2.615 259 Y HA 0.443 4.993 4.550 -0.000 0.000 0.341 259 Y C -0.607 175.322 175.900 0.048 0.000 1.089 259 Y CA -1.355 56.788 58.100 0.072 0.000 1.049 259 Y CB 1.706 40.214 38.460 0.080 0.000 1.296 259 Y HN -0.425 nan 8.280 nan 0.000 0.470 260 V N 2.753 122.809 119.914 0.238 0.000 2.735 260 V HA 0.484 4.604 4.120 -0.000 0.000 0.310 260 V C -0.714 175.424 176.094 0.075 0.000 1.061 260 V CA -0.881 61.482 62.300 0.105 0.000 0.913 260 V CB 2.166 34.017 31.823 0.046 0.000 1.005 260 V HN 0.538 nan 8.190 nan 0.000 0.428 261 I N 2.814 123.397 120.570 0.021 0.000 2.362 261 I HA 0.340 4.510 4.170 -0.000 0.000 0.289 261 I C 0.247 176.346 176.117 -0.030 0.000 0.994 261 I CA -0.174 61.115 61.300 -0.018 0.000 1.158 261 I CB 1.874 39.873 38.000 -0.000 0.000 1.315 261 I HN 0.601 nan 8.210 nan 0.000 0.451 262 S N 5.424 121.074 115.700 -0.084 0.000 2.416 262 S HA 0.531 5.001 4.470 -0.000 0.000 0.287 262 S C 0.431 175.111 174.600 0.134 0.000 1.139 262 S CA -0.414 57.815 58.200 0.049 0.000 1.058 262 S CB 0.541 63.821 63.200 0.134 0.000 0.967 262 S HN 0.722 nan 8.310 nan 0.000 0.495 263 A N 5.858 128.746 122.820 0.112 0.000 2.749 263 A HA 0.458 4.778 4.320 -0.000 0.000 0.299 263 A C 0.284 177.942 177.584 0.125 0.000 1.105 263 A CA -0.680 51.428 52.037 0.118 0.000 0.987 263 A CB -0.448 18.597 19.000 0.075 0.000 1.180 263 A HN 0.916 nan 8.150 nan 0.000 0.528 264 I N -3.808 116.852 120.570 0.151 0.000 2.797 264 I HA 0.688 4.858 4.170 -0.000 0.000 0.307 264 I C -2.919 173.289 176.117 0.152 0.000 1.033 264 I CA -3.066 58.320 61.300 0.144 0.000 1.071 264 I CB 1.533 39.619 38.000 0.144 0.000 1.255 264 I HN -0.159 nan 8.210 nan 0.000 0.445 265 P HA 0.123 nan 4.420 nan 0.000 0.264 265 P C -2.174 175.170 177.300 0.073 0.000 1.183 265 P CA -0.583 62.577 63.100 0.100 0.000 0.763 265 P CB -0.016 31.729 31.700 0.076 0.000 0.807 266 P HA -0.242 nan 4.420 nan 0.000 0.215 266 P C 1.639 178.913 177.300 -0.044 0.000 1.163 266 P CA 1.931 65.025 63.100 -0.010 0.000 0.894 266 P CB -0.317 31.345 31.700 -0.064 0.000 0.791 267 T N -1.292 113.209 114.554 -0.089 0.000 2.881 267 T HA -0.098 4.252 4.350 -0.000 0.000 0.270 267 T C 1.572 176.254 174.700 -0.031 0.000 1.068 267 T CA 0.811 62.850 62.100 -0.101 0.000 1.131 267 T CB -0.833 67.941 68.868 -0.157 0.000 0.871 267 T HN -0.043 nan 8.240 nan 0.000 0.479 268 L N 0.396 121.631 121.223 0.020 0.000 2.456 268 L HA 0.091 4.431 4.340 -0.000 0.000 0.224 268 L C 2.838 179.774 176.870 0.109 0.000 1.148 268 L CA 0.794 55.674 54.840 0.067 0.000 0.825 268 L CB -0.853 41.271 42.059 0.109 0.000 0.937 268 L HN 0.369 nan 8.230 nan 0.000 0.450 269 G N -0.106 108.769 108.800 0.124 0.000 2.516 269 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.221 269 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.221 269 G C 1.584 176.616 174.900 0.220 0.000 1.107 269 G CA 0.365 45.595 45.100 0.216 0.000 0.747 269 G HN 0.165 nan 8.290 nan 0.000 0.567 270 M N 0.216 119.872 119.600 0.094 0.000 2.374 270 M HA 0.043 4.523 4.480 -0.000 0.000 0.264 270 M C 2.091 178.402 176.300 0.018 0.000 1.067 270 M CA 0.941 56.265 55.300 0.039 0.000 1.103 270 M CB -0.419 32.168 32.600 -0.023 0.000 1.402 270 M HN 0.244 nan 8.290 nan 0.000 0.444 271 K N 0.005 120.439 120.400 0.056 0.000 2.525 271 K HA 0.149 4.469 4.320 -0.000 0.000 0.192 271 K C 0.257 176.907 176.600 0.084 0.000 1.029 271 K CA 0.403 56.732 56.287 0.070 0.000 1.029 271 K CB 0.147 32.718 32.500 0.119 0.000 0.814 271 K HN 0.303 nan 8.250 nan 0.000 0.503 272 I N 1.437 122.027 120.570 0.033 0.000 2.378 272 I HA 0.118 4.288 4.170 -0.000 0.000 0.291 272 I C 0.154 176.148 176.117 -0.205 0.000 0.992 272 I CA -0.749 60.484 61.300 -0.112 0.000 1.154 272 I CB 1.226 38.999 38.000 -0.379 0.000 1.315 272 I HN 0.061 nan 8.210 nan 0.000 0.448 273 H N 6.146 125.132 119.070 -0.139 0.000 2.580 273 H HA 0.333 4.889 4.556 -0.000 0.000 0.322 273 H C -1.080 174.121 175.328 -0.212 0.000 1.082 273 H CA -0.046 56.009 56.048 0.011 0.000 1.383 273 H CB 1.083 30.953 29.762 0.181 0.000 1.450 273 H HN 0.325 nan 8.280 nan 0.000 0.505 274 F N 1.683 121.700 119.950 0.112 0.000 2.508 274 F HA 0.192 4.719 4.527 0.000 0.000 0.325 274 F C 0.453 176.252 175.800 -0.002 0.000 1.090 274 F CA -0.757 57.229 58.000 -0.023 0.000 0.945 274 F CB 1.598 40.591 39.000 -0.011 0.000 1.156 274 F HN 0.475 nan 8.300 nan 0.000 0.463 275 N N 3.747 122.489 118.700 0.070 0.000 2.430 275 N HA 0.445 5.185 4.740 -0.000 0.000 0.290 275 N C -3.020 172.525 175.510 0.057 0.000 1.063 275 N CA -2.188 50.916 53.050 0.089 0.000 0.883 275 N CB 2.292 40.848 38.487 0.116 0.000 1.465 275 N HN 0.054 nan 8.380 nan 0.000 0.493 276 P HA 0.310 nan 4.420 nan 0.000 0.274 276 P C -2.636 174.726 177.300 0.103 0.000 1.260 276 P CA -0.973 62.175 63.100 0.081 0.000 0.793 276 P CB -0.435 31.295 31.700 0.050 0.000 1.048 277 P HA 0.075 nan 4.420 nan 0.000 0.268 277 P C 0.085 177.382 177.300 -0.005 0.000 1.208 277 P CA 0.251 63.396 63.100 0.075 0.000 0.777 277 P CB 0.161 31.891 31.700 0.049 0.000 0.875 278 L N 3.301 124.465 121.223 -0.098 0.000 2.483 278 L HA 0.125 4.465 4.340 -0.000 0.000 0.275 278 L C -1.644 175.159 176.870 -0.112 0.000 1.220 278 L CA -1.510 53.204 54.840 -0.212 0.000 0.833 278 L CB -0.690 41.140 42.059 -0.382 0.000 1.102 278 L HN 0.308 nan 8.230 nan 0.000 0.490 279 P HA -0.068 nan 4.420 nan 0.000 0.269 279 P C 0.655 177.918 177.300 -0.063 0.000 1.217 279 P CA -0.177 62.883 63.100 -0.066 0.000 0.783 279 P CB 0.432 32.095 31.700 -0.063 0.000 0.898 280 M N 1.529 121.106 119.600 -0.038 0.000 2.106 280 M HA -0.215 4.265 4.480 -0.000 0.000 0.259 280 M C 1.212 177.516 176.300 0.006 0.000 1.068 280 M CA 2.231 57.520 55.300 -0.019 0.000 1.100 280 M CB -0.315 32.278 32.600 -0.012 0.000 1.351 280 M HN 0.211 nan 8.290 nan 0.000 0.404 281 M N -0.441 119.162 119.600 0.005 0.000 2.099 281 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 281 M C 2.294 178.638 176.300 0.074 0.000 1.067 281 M CA 1.722 57.071 55.300 0.081 0.000 1.124 281 M CB -1.380 31.215 32.600 -0.007 0.000 1.353 281 M HN 0.391 nan 8.290 nan 0.000 0.410 282 R N 0.569 121.037 120.500 -0.054 0.000 2.081 282 R HA -0.192 4.148 4.340 -0.000 0.000 0.235 282 R C 2.007 178.210 176.300 -0.162 0.000 1.131 282 R CA 1.934 57.947 56.100 -0.144 0.000 0.960 282 R CB -0.280 29.887 30.300 -0.221 0.000 0.856 282 R HN 0.326 nan 8.270 nan 0.000 0.436 283 N N 0.304 118.926 118.700 -0.131 0.000 2.060 283 N HA -0.235 4.505 4.740 -0.000 0.000 0.195 283 N C 1.510 176.942 175.510 -0.130 0.000 1.028 283 N CA 2.040 55.018 53.050 -0.120 0.000 0.861 283 N CB 0.007 38.448 38.487 -0.076 0.000 1.029 283 N HN 0.394 nan 8.380 nan 0.000 0.428 284 Q N -1.247 118.480 119.800 -0.122 0.000 2.250 284 Q HA 0.004 4.344 4.340 -0.000 0.000 0.200 284 Q C 1.934 177.659 176.000 -0.459 0.000 0.941 284 Q CA 0.292 55.967 55.803 -0.215 0.000 0.872 284 Q CB -0.046 28.629 28.738 -0.103 0.000 0.965 284 Q HN 0.469 nan 8.270 nan 0.000 0.480 285 M N 1.695 121.009 119.600 -0.476 0.000 2.082 285 M HA -0.186 4.294 4.480 -0.000 0.000 0.258 285 M C 2.020 178.074 176.300 -0.411 0.000 1.069 285 M CA 1.732 56.702 55.300 -0.549 0.000 1.102 285 M CB -0.475 31.986 32.600 -0.232 0.000 1.336 285 M HN 0.301 nan 8.290 nan 0.000 0.404 286 I N -1.838 118.556 120.570 -0.293 0.000 3.334 286 I HA -0.078 4.092 4.170 -0.000 0.000 0.282 286 I C 1.404 177.382 176.117 -0.233 0.000 1.313 286 I CA 1.376 62.534 61.300 -0.236 0.000 1.396 286 I CB -1.059 36.846 38.000 -0.157 0.000 1.054 286 I HN 0.306 nan 8.210 nan 0.000 0.495 287 T N -2.435 111.961 114.554 -0.263 0.000 3.105 287 T HA 0.318 4.668 4.350 -0.000 0.000 0.253 287 T C 1.336 175.871 174.700 -0.276 0.000 1.047 287 T CA -0.301 61.662 62.100 -0.229 0.000 0.944 287 T CB 0.007 68.763 68.868 -0.186 0.000 1.016 287 T HN 0.424 nan 8.240 nan 0.000 0.544 288 R N 0.802 121.081 120.500 -0.367 0.000 2.549 288 R HA 0.322 4.662 4.340 -0.000 0.000 0.344 288 R C -0.300 175.688 176.300 -0.520 0.000 0.979 288 R CA -0.012 55.845 56.100 -0.405 0.000 1.140 288 R CB 1.579 31.594 30.300 -0.476 0.000 1.377 288 R HN 0.411 nan 8.270 nan 0.000 0.541 289 V N -0.777 118.800 119.914 -0.561 0.000 2.467 289 V HA 0.479 4.599 4.120 -0.000 0.000 0.260 289 V C -2.775 172.935 176.094 -0.639 0.000 0.963 289 V CA -2.306 59.530 62.300 -0.772 0.000 0.856 289 V CB 0.766 32.081 31.823 -0.848 0.000 1.087 289 V HN -0.117 nan 8.190 nan 0.000 0.467 290 P HA 0.557 nan 4.420 nan 0.000 0.277 290 P C -0.682 176.277 177.300 -0.569 0.000 1.271 290 P CA -0.432 62.320 63.100 -0.579 0.000 0.795 290 P CB 1.578 32.942 31.700 -0.561 0.000 1.101 291 L N -0.100 120.968 121.223 -0.259 0.000 2.344 291 L HA 0.590 4.930 4.340 -0.000 0.000 0.272 291 L C 1.428 178.338 176.870 0.067 0.000 1.035 291 L CA -0.202 54.586 54.840 -0.087 0.000 0.807 291 L CB 0.568 42.612 42.059 -0.025 0.000 1.237 291 L HN 0.463 nan 8.230 nan 0.000 0.442 292 G N 0.126 109.003 108.800 0.129 0.000 2.631 292 G HA2 0.379 4.339 3.960 -0.000 0.000 0.271 292 G HA3 0.379 4.339 3.960 -0.000 0.000 0.271 292 G C -0.675 174.229 174.900 0.006 0.000 1.302 292 G CA -0.356 44.787 45.100 0.072 0.000 1.002 292 G HN 0.491 nan 8.290 nan 0.000 0.519 293 S N -1.351 114.327 115.700 -0.037 0.000 2.552 293 S HA 0.571 5.041 4.470 -0.000 0.000 0.314 293 S C -1.027 173.566 174.600 -0.011 0.000 1.099 293 S CA -0.476 57.727 58.200 0.006 0.000 1.070 293 S CB 1.621 64.831 63.200 0.018 0.000 0.998 293 S HN 0.794 nan 8.310 nan 0.000 0.474 294 V N 5.342 125.304 119.914 0.080 0.000 2.924 294 V HA 0.548 4.668 4.120 -0.000 0.000 0.300 294 V C -1.873 174.396 176.094 0.291 0.000 1.227 294 V CA -0.707 61.682 62.300 0.148 0.000 0.954 294 V CB 1.685 33.557 31.823 0.082 0.000 1.055 294 V HN 0.865 nan 8.190 nan 0.000 0.429 295 I N 5.626 126.370 120.570 0.291 0.000 2.339 295 I HA 0.501 4.671 4.170 -0.000 0.000 0.290 295 I C -0.062 176.291 176.117 0.393 0.000 0.994 295 I CA -0.604 60.880 61.300 0.306 0.000 1.191 295 I CB 1.619 39.739 38.000 0.200 0.000 1.343 295 I HN 0.538 nan 8.210 nan 0.000 0.458 296 K N 5.728 126.399 120.400 0.453 0.000 2.234 296 K HA 0.541 4.861 4.320 -0.000 0.000 0.282 296 K C -1.417 175.295 176.600 0.187 0.000 1.039 296 K CA -0.248 56.267 56.287 0.381 0.000 0.928 296 K CB 0.908 33.699 32.500 0.486 0.000 1.039 296 K HN 0.690 nan 8.250 nan 0.000 0.470 297 C N 5.290 124.656 119.300 0.111 0.000 2.431 297 C HA 0.552 5.012 4.460 -0.000 0.000 0.321 297 C C -1.085 173.956 174.990 0.085 0.000 1.202 297 C CA -1.005 58.081 59.018 0.114 0.000 1.398 297 C CB 0.171 28.073 27.740 0.270 0.000 2.047 297 C HN 0.754 nan 8.230 nan 0.000 0.465 298 I N 3.391 123.982 120.570 0.035 0.000 2.468 298 I HA 0.448 4.618 4.170 -0.000 0.000 0.285 298 I C -0.325 175.782 176.117 -0.017 0.000 1.039 298 I CA -0.165 61.099 61.300 -0.059 0.000 1.074 298 I CB 1.512 39.430 38.000 -0.136 0.000 1.228 298 I HN 0.317 nan 8.210 nan 0.000 0.436 299 V N 6.596 126.486 119.914 -0.040 0.000 2.398 299 V HA 0.408 4.528 4.120 -0.000 0.000 0.286 299 V C -0.722 175.159 176.094 -0.355 0.000 1.026 299 V CA -0.711 61.576 62.300 -0.022 0.000 0.868 299 V CB 1.101 32.987 31.823 0.105 0.000 0.982 299 V HN 0.414 nan 8.190 nan 0.000 0.443 300 Y N 4.018 124.240 120.300 -0.131 0.000 2.361 300 Y HA 0.665 5.215 4.550 0.000 0.000 0.332 300 Y C -0.302 175.419 175.900 -0.297 0.000 1.101 300 Y CA -0.402 57.668 58.100 -0.051 0.000 1.137 300 Y CB 1.404 39.945 38.460 0.136 0.000 1.207 300 Y HN 0.529 nan 8.280 nan 0.000 0.463 301 Y N 0.251 120.795 120.300 0.407 0.000 2.605 301 Y HA 0.279 4.829 4.550 -0.000 0.000 0.343 301 Y C 1.181 177.223 175.900 0.237 0.000 1.036 301 Y CA -1.375 56.936 58.100 0.350 0.000 1.065 301 Y CB 1.944 40.711 38.460 0.510 0.000 1.288 301 Y HN 0.514 nan 8.280 nan 0.000 0.481 302 K N 0.540 121.147 120.400 0.345 0.000 2.063 302 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 302 K C -0.466 176.207 176.600 0.121 0.000 1.048 302 K CA 1.782 58.173 56.287 0.173 0.000 0.928 302 K CB 0.173 32.747 32.500 0.124 0.000 0.713 302 K HN 0.773 nan 8.250 nan 0.000 0.442 303 E N -0.960 119.329 120.200 0.148 0.000 2.393 303 E HA 0.235 4.585 4.350 -0.000 0.000 0.273 303 E C -2.684 173.804 176.600 -0.186 0.000 0.918 303 E CA -2.315 54.079 56.400 -0.010 0.000 0.773 303 E CB 2.370 32.055 29.700 -0.024 0.000 1.275 303 E HN -0.017 nan 8.360 nan 0.000 0.451 304 P HA 0.048 nan 4.420 nan 0.000 0.225 304 P C 0.236 176.635 177.300 -1.502 0.000 1.813 304 P CA -0.078 62.077 63.100 -1.576 0.000 1.013 304 P CB -0.759 30.261 31.700 -1.133 0.000 1.961 305 F N 0.412 119.869 119.950 -0.821 0.000 2.192 305 F HA -0.167 4.360 4.527 -0.000 0.000 0.301 305 F C 1.848 177.513 175.800 -0.224 0.000 1.079 305 F CA 0.220 58.004 58.000 -0.359 0.000 1.303 305 F CB -2.001 36.906 39.000 -0.156 0.000 1.024 305 F HN 0.154 nan 8.300 nan 0.000 0.494 306 W N 1.597 122.545 121.300 -0.587 0.000 2.325 306 W HA -0.084 4.576 4.660 0.000 0.000 0.299 306 W C 2.072 178.537 176.519 -0.090 0.000 1.215 306 W CA 1.250 58.456 57.345 -0.231 0.000 1.244 306 W CB -1.209 28.054 29.460 -0.328 0.000 1.140 306 W HN -0.100 nan 8.180 nan 0.000 0.523 307 R N 1.200 121.503 120.500 -0.328 0.000 2.120 307 R HA -0.072 4.268 4.340 -0.000 0.000 0.234 307 R C 2.054 178.272 176.300 -0.136 0.000 1.123 307 R CA 1.683 57.680 56.100 -0.172 0.000 0.975 307 R CB -0.537 29.605 30.300 -0.262 0.000 0.866 307 R HN 0.294 nan 8.270 nan 0.000 0.446 308 K N 0.975 121.289 120.400 -0.144 0.000 2.152 308 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 308 K C 1.525 178.055 176.600 -0.116 0.000 1.048 308 K CA 1.205 57.432 56.287 -0.099 0.000 0.933 308 K CB -0.012 32.453 32.500 -0.059 0.000 0.721 308 K HN 0.112 nan 8.250 nan 0.000 0.447 309 K N 0.756 121.061 120.400 -0.159 0.000 2.458 309 K HA -0.050 4.270 4.320 -0.000 0.000 0.194 309 K C -0.388 175.873 176.600 -0.565 0.000 1.024 309 K CA 0.168 56.244 56.287 -0.352 0.000 1.108 309 K CB 0.249 32.497 32.500 -0.420 0.000 0.846 309 K HN 0.042 nan 8.250 nan 0.000 0.518 310 D N -0.226 119.993 120.400 -0.302 0.000 2.835 310 D HA -0.220 4.420 4.640 -0.000 0.000 0.230 310 D C -1.353 174.877 176.300 -0.116 0.000 1.130 310 D CA 0.879 54.762 54.000 -0.195 0.000 0.738 310 D CB -1.399 39.307 40.800 -0.157 0.000 1.090 310 D HN 0.336 nan 8.370 nan 0.000 0.433 311 Y N -0.947 119.388 120.300 0.059 0.000 2.409 311 Y HA 0.340 4.890 4.550 -0.000 0.000 0.339 311 Y C 2.041 178.019 175.900 0.131 0.000 1.033 311 Y CA -0.897 57.238 58.100 0.059 0.000 1.094 311 Y CB 1.325 39.828 38.460 0.071 0.000 1.210 311 Y HN 0.240 nan 8.280 nan 0.000 0.456 312 C N -1.349 118.079 119.300 0.212 0.000 2.563 312 C HA 0.510 4.970 4.460 -0.000 0.000 0.268 312 C C 1.668 176.723 174.990 0.109 0.000 1.365 312 C CA 0.433 59.555 59.018 0.173 0.000 1.754 312 C CB -0.779 26.988 27.740 0.043 0.000 1.932 312 C HN 1.223 nan 8.230 nan 0.000 0.536 313 G N 0.026 108.701 108.800 -0.208 0.000 2.231 313 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.206 313 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.206 313 G C 0.041 174.601 174.900 -0.566 0.000 0.996 313 G CA 0.181 44.831 45.100 -0.750 0.000 0.645 313 G HN 0.556 nan 8.290 nan 0.000 0.498 314 T N 2.644 116.970 114.554 -0.380 0.000 2.752 314 T HA 0.590 4.940 4.350 -0.000 0.000 0.295 314 T C 0.388 174.874 174.700 -0.357 0.000 0.923 314 T CA 0.564 62.422 62.100 -0.404 0.000 1.112 314 T CB 0.662 69.353 68.868 -0.295 0.000 0.884 314 T HN 0.293 nan 8.240 nan 0.000 0.525 315 M N 4.202 123.563 119.600 -0.399 0.000 2.243 315 M HA 0.475 4.955 4.480 -0.000 0.000 0.324 315 M C -0.625 175.631 176.300 -0.072 0.000 1.031 315 M CA -0.605 54.577 55.300 -0.197 0.000 0.949 315 M CB 1.858 34.332 32.600 -0.210 0.000 1.615 315 M HN 0.412 nan 8.290 nan 0.000 0.430 316 I N 4.886 125.570 120.570 0.191 0.000 2.307 316 I HA 0.383 4.553 4.170 -0.000 0.000 0.289 316 I C -0.718 175.668 176.117 0.449 0.000 1.021 316 I CA -0.223 61.299 61.300 0.370 0.000 1.224 316 I CB 0.700 38.923 38.000 0.372 0.000 1.376 316 I HN 0.604 nan 8.210 nan 0.000 0.470 317 I N 5.581 126.371 120.570 0.365 0.000 2.390 317 I HA 0.260 4.430 4.170 -0.000 0.000 0.283 317 I C -0.270 176.028 176.117 0.302 0.000 1.016 317 I CA -0.561 60.935 61.300 0.326 0.000 1.151 317 I CB 0.864 38.995 38.000 0.217 0.000 1.293 317 I HN 0.438 nan 8.210 nan 0.000 0.458 318 D N 5.092 125.672 120.400 0.301 0.000 2.341 318 D HA 0.503 5.143 4.640 -0.000 0.000 0.245 318 D C 0.476 176.883 176.300 0.178 0.000 1.106 318 D CA 0.870 55.010 54.000 0.233 0.000 0.905 318 D CB 1.811 42.724 40.800 0.188 0.000 1.202 318 D HN 0.819 nan 8.370 nan 0.000 0.426 319 G N 1.743 110.631 108.800 0.147 0.000 2.629 319 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.686 319 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.686 319 G C 0.590 175.560 174.900 0.116 0.000 1.232 319 G CA -0.052 45.118 45.100 0.117 0.000 0.803 319 G HN 0.434 nan 8.290 nan 0.000 0.638 320 E N 0.110 120.373 120.200 0.105 0.000 2.153 320 E HA -0.064 4.286 4.350 -0.000 0.000 0.194 320 E C 2.159 178.818 176.600 0.099 0.000 0.988 320 E CA 2.489 58.960 56.400 0.118 0.000 0.811 320 E CB -0.028 29.739 29.700 0.112 0.000 0.746 320 E HN 0.625 nan 8.360 nan 0.000 0.466 321 E N 0.359 120.609 120.200 0.084 0.000 2.208 321 E HA 0.085 4.435 4.350 -0.000 0.000 0.193 321 E C 0.301 176.934 176.600 0.056 0.000 0.988 321 E CA 0.848 57.287 56.400 0.066 0.000 0.828 321 E CB -0.289 29.447 29.700 0.061 0.000 0.763 321 E HN 0.293 nan 8.360 nan 0.000 0.478 322 A N 2.560 125.423 122.820 0.072 0.000 2.451 322 A HA 0.206 4.526 4.320 -0.000 0.000 0.266 322 A C -1.379 176.235 177.584 0.049 0.000 1.119 322 A CA -1.218 50.856 52.037 0.063 0.000 0.786 322 A CB 0.207 19.268 19.000 0.102 0.000 1.061 322 A HN -0.030 nan 8.150 nan 0.000 0.503 323 P HA -0.070 nan 4.420 nan 0.000 0.218 323 P C 0.238 177.574 177.300 0.060 0.000 1.148 323 P CA 1.126 64.236 63.100 0.016 0.000 0.822 323 P CB 0.093 31.782 31.700 -0.018 0.000 0.784 324 V N -0.332 119.639 119.914 0.094 0.000 2.487 324 V HA 0.485 4.605 4.120 -0.000 0.000 0.298 324 V C 1.006 177.221 176.094 0.201 0.000 1.028 324 V CA -0.187 62.217 62.300 0.173 0.000 0.860 324 V CB 1.573 33.524 31.823 0.214 0.000 0.991 324 V HN -0.046 nan 8.190 nan 0.000 0.427 325 A N 4.420 127.390 122.820 0.249 0.000 2.220 325 A HA 0.327 4.647 4.320 -0.000 0.000 0.211 325 A C 0.118 177.925 177.584 0.371 0.000 1.176 325 A CA 0.594 52.798 52.037 0.278 0.000 0.834 325 A CB 0.151 19.306 19.000 0.259 0.000 0.868 325 A HN 0.772 nan 8.150 nan 0.000 0.488 326 Y N -0.219 120.207 120.300 0.210 0.000 2.482 326 Y HA 0.476 5.026 4.550 0.000 0.000 0.334 326 Y C -0.331 175.631 175.900 0.104 0.000 1.091 326 Y CA -0.325 57.885 58.100 0.183 0.000 1.027 326 Y CB 1.597 40.211 38.460 0.258 0.000 1.306 326 Y HN 0.136 nan 8.280 nan 0.000 0.446 327 T N 3.573 117.779 114.554 -0.580 0.000 2.883 327 T HA 0.862 5.212 4.350 -0.000 0.000 0.296 327 T C -1.682 172.603 174.700 -0.692 0.000 1.117 327 T CA -0.860 60.931 62.100 -0.516 0.000 1.006 327 T CB 1.917 70.470 68.868 -0.526 0.000 1.191 327 T HN 0.641 nan 8.240 nan 0.000 0.508 328 L N 0.926 121.877 121.223 -0.454 0.000 2.466 328 L HA 0.450 4.790 4.340 -0.000 0.000 0.258 328 L C -0.965 175.733 176.870 -0.286 0.000 0.973 328 L CA -1.188 53.452 54.840 -0.333 0.000 0.826 328 L CB 2.367 44.324 42.059 -0.170 0.000 1.372 328 L HN 0.777 nan 8.230 nan 0.000 0.409 329 D N 1.151 121.413 120.400 -0.230 0.000 2.472 329 D HA -0.057 4.583 4.640 -0.000 0.000 0.248 329 D C -0.089 176.246 176.300 0.058 0.000 1.174 329 D CA 0.707 54.658 54.000 -0.082 0.000 0.883 329 D CB 1.087 41.963 40.800 0.126 0.000 1.149 329 D HN 0.492 nan 8.370 nan 0.000 0.488 330 D N 1.759 122.196 120.400 0.062 0.000 2.440 330 D HA 0.062 4.702 4.640 -0.000 0.000 0.216 330 D C -0.338 176.050 176.300 0.147 0.000 1.150 330 D CA -0.125 53.932 54.000 0.095 0.000 0.832 330 D CB 0.381 41.175 40.800 -0.010 0.000 0.992 330 D HN 0.234 nan 8.370 nan 0.000 0.502 331 T N 1.831 116.509 114.554 0.207 0.000 2.934 331 T HA 0.005 4.355 4.350 -0.000 0.000 0.306 331 T C 0.522 175.290 174.700 0.114 0.000 1.042 331 T CA -0.104 62.111 62.100 0.192 0.000 1.145 331 T CB 0.741 69.724 68.868 0.192 0.000 0.982 331 T HN -0.055 nan 8.240 nan 0.000 0.544 332 K N 4.267 124.698 120.400 0.052 0.000 2.440 332 K HA 0.029 4.349 4.320 -0.000 0.000 0.270 332 K C -1.351 175.125 176.600 -0.207 0.000 0.980 332 K CA -1.623 54.596 56.287 -0.114 0.000 0.953 332 K CB 0.057 32.539 32.500 -0.030 0.000 0.925 332 K HN 0.356 nan 8.250 nan 0.000 0.497 333 P HA -0.131 nan 4.420 nan 0.000 0.219 333 P C 0.202 177.423 177.300 -0.133 0.000 1.146 333 P CA 1.327 64.204 63.100 -0.372 0.000 0.808 333 P CB 0.310 31.684 31.700 -0.543 0.000 0.779 334 E N -0.959 119.188 120.200 -0.088 0.000 2.511 334 E HA 0.181 4.531 4.350 -0.000 0.000 0.196 334 E C 1.540 178.129 176.600 -0.018 0.000 1.066 334 E CA 0.807 57.190 56.400 -0.028 0.000 0.871 334 E CB -0.864 28.839 29.700 0.006 0.000 0.863 334 E HN 0.296 nan 8.360 nan 0.000 0.520 335 G N 0.780 109.567 108.800 -0.020 0.000 2.175 335 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.244 335 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.244 335 G C 0.115 175.005 174.900 -0.017 0.000 0.982 335 G CA 0.341 45.427 45.100 -0.024 0.000 0.641 335 G HN 0.419 nan 8.290 nan 0.000 0.527 336 N N -1.160 117.552 118.700 0.021 0.000 2.592 336 N HA 0.555 5.295 4.740 -0.000 0.000 0.292 336 N C 0.477 176.072 175.510 0.141 0.000 1.260 336 N CA -1.044 52.006 53.050 -0.000 0.000 0.910 336 N CB 0.065 38.495 38.487 -0.096 0.000 1.257 336 N HN 0.548 nan 8.380 nan 0.000 0.569 337 Y N -2.661 117.670 120.300 0.053 0.000 3.108 337 Y HA -0.176 4.374 4.550 -0.000 0.000 0.208 337 Y C 0.534 176.575 175.900 0.235 0.000 1.245 337 Y CA 0.318 58.502 58.100 0.141 0.000 1.171 337 Y CB -2.331 36.172 38.460 0.072 0.000 1.331 337 Y HN 0.764 nan 8.280 nan 0.000 0.534 338 A N 0.280 123.258 122.820 0.264 0.000 2.565 338 A HA 0.574 4.894 4.320 -0.000 0.000 0.237 338 A C 0.739 178.573 177.584 0.417 0.000 1.053 338 A CA 0.631 52.834 52.037 0.277 0.000 0.755 338 A CB 0.120 19.197 19.000 0.130 0.000 0.980 338 A HN 1.460 nan 8.150 nan 0.000 0.506 339 A N 2.301 125.377 122.820 0.426 0.000 2.608 339 A HA 0.651 4.971 4.320 -0.000 0.000 0.292 339 A C -1.069 176.529 177.584 0.023 0.000 1.066 339 A CA -0.528 51.588 52.037 0.132 0.000 0.676 339 A CB 0.971 19.688 19.000 -0.471 0.000 1.277 339 A HN 0.731 nan 8.150 nan 0.000 0.413 340 I N 2.092 122.558 120.570 -0.174 0.000 2.436 340 I HA 0.407 4.577 4.170 -0.000 0.000 0.289 340 I C -0.403 175.551 176.117 -0.272 0.000 1.010 340 I CA -0.381 60.672 61.300 -0.411 0.000 1.098 340 I CB 1.724 39.299 38.000 -0.709 0.000 1.266 340 I HN 0.752 nan 8.210 nan 0.000 0.434 341 M N 5.511 124.953 119.600 -0.265 0.000 2.238 341 M HA 0.680 5.160 4.480 -0.000 0.000 0.350 341 M C -0.443 175.714 176.300 -0.238 0.000 1.138 341 M CA -0.188 54.992 55.300 -0.199 0.000 1.040 341 M CB 1.302 33.816 32.600 -0.144 0.000 1.639 341 M HN 0.727 nan 8.290 nan 0.000 0.451 342 G N 4.095 112.797 108.800 -0.164 0.000 2.660 342 G HA2 0.701 4.661 3.960 -0.000 0.000 0.294 342 G HA3 0.701 4.661 3.960 -0.000 0.000 0.294 342 G C -2.054 172.764 174.900 -0.136 0.000 1.369 342 G CA -0.561 44.475 45.100 -0.108 0.000 0.912 342 G HN 0.625 nan 8.290 nan 0.000 0.479 343 F N 0.349 120.449 119.950 0.250 0.000 2.436 343 F HA 0.518 5.045 4.527 0.000 0.000 0.340 343 F C 0.518 176.430 175.800 0.186 0.000 1.113 343 F CA -0.715 57.429 58.000 0.241 0.000 1.022 343 F CB 2.166 41.334 39.000 0.280 0.000 1.128 343 F HN 0.048 nan 8.300 nan 0.000 0.466 344 I N 5.136 125.913 120.570 0.345 0.000 2.304 344 I HA 0.279 4.449 4.170 -0.000 0.000 0.291 344 I C -0.684 175.526 176.117 0.156 0.000 1.018 344 I CA -0.330 61.092 61.300 0.204 0.000 1.260 344 I CB 0.802 38.889 38.000 0.146 0.000 1.390 344 I HN 0.391 nan 8.210 nan 0.000 0.475 345 L N 6.490 127.761 121.223 0.081 0.000 2.325 345 L HA 0.747 5.087 4.340 -0.000 0.000 0.278 345 L C 0.927 177.757 176.870 -0.067 0.000 1.023 345 L CA -0.251 54.593 54.840 0.006 0.000 0.811 345 L CB 1.471 43.532 42.059 0.004 0.000 1.249 345 L HN 0.891 nan 8.230 nan 0.000 0.431 346 A N 1.917 124.695 122.820 -0.069 0.000 5.382 346 A HA -0.352 3.968 4.320 -0.000 0.000 0.307 346 A C 1.633 179.204 177.584 -0.022 0.000 1.937 346 A CA 1.424 53.425 52.037 -0.059 0.000 0.715 346 A CB -1.587 17.373 19.000 -0.066 0.000 1.293 346 A HN 1.098 nan 8.150 nan 0.000 0.374 347 H N 0.875 119.935 119.070 -0.017 0.000 2.456 347 H HA -0.017 4.539 4.556 0.000 0.000 0.296 347 H C 1.673 177.018 175.328 0.028 0.000 1.079 347 H CA 1.772 57.827 56.048 0.012 0.000 1.322 347 H CB -0.340 29.437 29.762 0.025 0.000 1.388 347 H HN 0.721 nan 8.280 nan 0.000 0.538 348 K N 0.697 120.744 120.400 -0.589 0.000 2.211 348 K HA 0.037 4.357 4.320 -0.000 0.000 0.203 348 K C 2.536 179.078 176.600 -0.096 0.000 1.050 348 K CA 0.893 56.979 56.287 -0.335 0.000 0.945 348 K CB 0.055 32.365 32.500 -0.317 0.000 0.732 348 K HN 0.342 nan 8.250 nan 0.000 0.451 349 A N 1.399 124.190 122.820 -0.048 0.000 1.898 349 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 349 A C 2.079 179.683 177.584 0.032 0.000 1.181 349 A CA 1.232 53.283 52.037 0.025 0.000 0.620 349 A CB -0.287 18.742 19.000 0.048 0.000 0.819 349 A HN 0.102 nan 8.150 nan 0.000 0.442 350 R N -0.188 120.331 120.500 0.032 0.000 2.080 350 R HA -0.112 4.228 4.340 -0.000 0.000 0.236 350 R C 2.349 178.676 176.300 0.045 0.000 1.137 350 R CA 2.044 58.172 56.100 0.047 0.000 0.943 350 R CB -0.329 30.011 30.300 0.067 0.000 0.846 350 R HN 0.613 nan 8.270 nan 0.000 0.431 351 K N 0.387 120.815 120.400 0.047 0.000 2.002 351 K HA -0.105 4.215 4.320 -0.000 0.000 0.209 351 K C 1.737 178.357 176.600 0.033 0.000 1.048 351 K CA 1.460 57.776 56.287 0.048 0.000 0.930 351 K CB -0.098 32.441 32.500 0.066 0.000 0.714 351 K HN 0.123 nan 8.250 nan 0.000 0.438 352 L N 0.399 121.637 121.223 0.024 0.000 2.478 352 L HA 0.018 4.358 4.340 -0.000 0.000 0.223 352 L C 2.315 179.207 176.870 0.037 0.000 1.140 352 L CA 0.398 55.254 54.840 0.027 0.000 0.842 352 L CB -0.291 41.782 42.059 0.024 0.000 0.953 352 L HN 0.249 nan 8.230 nan 0.000 0.452 353 A N 0.594 123.438 122.820 0.039 0.000 2.019 353 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 353 A C 2.379 179.982 177.584 0.031 0.000 1.164 353 A CA 1.119 53.180 52.037 0.039 0.000 0.644 353 A CB -0.356 18.667 19.000 0.038 0.000 0.805 353 A HN 0.370 nan 8.150 nan 0.000 0.449 354 R N -0.423 120.094 120.500 0.028 0.000 2.152 354 R HA 0.027 4.367 4.340 -0.000 0.000 0.232 354 R C 0.365 176.678 176.300 0.021 0.000 1.117 354 R CA 0.355 56.468 56.100 0.023 0.000 0.981 354 R CB -0.653 29.660 30.300 0.022 0.000 0.870 354 R HN 0.444 nan 8.270 nan 0.000 0.451 355 L N 1.230 122.467 121.223 0.023 0.000 2.476 355 L HA 0.050 4.390 4.340 -0.000 0.000 0.255 355 L C 1.137 178.022 176.870 0.026 0.000 1.218 355 L CA -0.238 54.614 54.840 0.020 0.000 0.819 355 L CB 0.164 42.233 42.059 0.017 0.000 1.119 355 L HN 0.153 nan 8.230 nan 0.000 0.485 356 T N -2.587 111.981 114.554 0.023 0.000 2.849 356 T HA 0.106 4.456 4.350 -0.000 0.000 0.284 356 T C 0.912 175.642 174.700 0.049 0.000 1.004 356 T CA -0.657 61.462 62.100 0.031 0.000 1.021 356 T CB 1.238 70.120 68.868 0.022 0.000 1.013 356 T HN 0.682 nan 8.240 nan 0.000 0.527 357 K N 0.443 120.888 120.400 0.075 0.000 2.089 357 K HA -0.236 4.084 4.320 -0.000 0.000 0.210 357 K C 1.869 178.526 176.600 0.096 0.000 1.048 357 K CA 2.109 58.485 56.287 0.147 0.000 0.926 357 K CB -0.188 32.406 32.500 0.156 0.000 0.714 357 K HN 0.714 nan 8.250 nan 0.000 0.448 358 E N 0.524 120.746 120.200 0.036 0.000 2.152 358 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 358 E C 1.762 178.325 176.600 -0.062 0.000 0.983 358 E CA 1.242 57.628 56.400 -0.023 0.000 0.818 358 E CB 0.049 29.746 29.700 -0.005 0.000 0.758 358 E HN 0.416 nan 8.360 nan 0.000 0.467 359 E N 0.466 120.647 120.200 -0.032 0.000 2.077 359 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 359 E C 2.090 178.649 176.600 -0.067 0.000 0.989 359 E CA 0.757 57.132 56.400 -0.041 0.000 0.800 359 E CB -0.054 29.636 29.700 -0.016 0.000 0.746 359 E HN 0.135 nan 8.360 nan 0.000 0.452 360 R N 0.310 120.778 120.500 -0.052 0.000 2.092 360 R HA -0.126 4.214 4.340 -0.000 0.000 0.231 360 R C 2.440 178.602 176.300 -0.230 0.000 1.119 360 R CA 0.708 56.766 56.100 -0.069 0.000 0.970 360 R CB -0.320 30.007 30.300 0.046 0.000 0.864 360 R HN 0.125 nan 8.270 nan 0.000 0.440 361 L N 1.790 122.769 121.223 -0.406 0.000 2.012 361 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 361 L C 2.205 178.861 176.870 -0.358 0.000 1.073 361 L CA 1.924 56.356 54.840 -0.680 0.000 0.748 361 L CB -0.552 41.062 42.059 -0.742 0.000 0.891 361 L HN -0.029 nan 8.230 nan 0.000 0.431 362 K N -0.399 119.867 120.400 -0.223 0.000 2.032 362 K HA -0.227 4.093 4.320 -0.000 0.000 0.209 362 K C 2.116 178.627 176.600 -0.148 0.000 1.048 362 K CA 1.909 58.109 56.287 -0.145 0.000 0.927 362 K CB -0.126 32.319 32.500 -0.093 0.000 0.712 362 K HN 0.338 nan 8.250 nan 0.000 0.441 363 K N -0.027 120.284 120.400 -0.149 0.000 2.147 363 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 363 K C 2.034 178.500 176.600 -0.223 0.000 1.049 363 K CA 1.105 57.308 56.287 -0.140 0.000 0.936 363 K CB -0.068 32.373 32.500 -0.099 0.000 0.722 363 K HN 0.075 nan 8.250 nan 0.000 0.446 364 L N 0.554 121.588 121.223 -0.314 0.000 2.095 364 L HA -0.134 4.206 4.340 -0.000 0.000 0.204 364 L C 2.371 178.801 176.870 -0.732 0.000 1.080 364 L CA 1.399 55.892 54.840 -0.580 0.000 0.759 364 L CB -0.532 41.242 42.059 -0.475 0.000 0.914 364 L HN 0.198 nan 8.230 nan 0.000 0.439 365 C N -0.589 118.507 119.300 -0.340 0.000 2.432 365 C HA -0.156 4.304 4.460 -0.000 0.000 0.277 365 C C 2.622 177.571 174.990 -0.069 0.000 1.249 365 C CA 0.573 59.539 59.018 -0.087 0.000 1.725 365 C CB -0.789 26.960 27.740 0.015 0.000 2.028 365 C HN 0.544 nan 8.230 nan 0.000 0.477 366 E N 0.472 120.609 120.200 -0.106 0.000 2.077 366 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 366 E C 2.006 178.559 176.600 -0.079 0.000 0.989 366 E CA 1.128 57.488 56.400 -0.066 0.000 0.800 366 E CB -0.320 29.344 29.700 -0.060 0.000 0.746 366 E HN 0.528 nan 8.360 nan 0.000 0.452 367 L N 0.390 121.516 121.223 -0.162 0.000 1.989 367 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 367 L C 2.030 178.877 176.870 -0.039 0.000 1.071 367 L CA 1.792 56.547 54.840 -0.142 0.000 0.749 367 L CB -0.581 41.352 42.059 -0.210 0.000 0.890 367 L HN 0.210 nan 8.230 nan 0.000 0.431 368 Y N -0.925 119.354 120.300 -0.035 0.000 2.293 368 Y HA -0.145 4.405 4.550 -0.000 0.000 0.291 368 Y C 2.506 178.404 175.900 -0.004 0.000 1.137 368 Y CA 0.179 58.257 58.100 -0.037 0.000 1.202 368 Y CB -0.479 37.994 38.460 0.022 0.000 0.990 368 Y HN 0.379 nan 8.280 nan 0.000 0.537 369 A N 0.883 123.794 122.820 0.152 0.000 1.908 369 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 369 A C 2.106 179.724 177.584 0.057 0.000 1.181 369 A CA 1.808 53.901 52.037 0.093 0.000 0.627 369 A CB -0.476 18.552 19.000 0.048 0.000 0.818 369 A HN 0.371 nan 8.150 nan 0.000 0.445 370 K N -0.588 119.821 120.400 0.015 0.000 2.002 370 K HA -0.078 4.242 4.320 -0.000 0.000 0.209 370 K C 1.910 178.478 176.600 -0.054 0.000 1.048 370 K CA 1.571 57.852 56.287 -0.010 0.000 0.930 370 K CB -0.383 32.095 32.500 -0.038 0.000 0.714 370 K HN 0.312 nan 8.250 nan 0.000 0.438 371 V N 1.672 121.482 119.914 -0.173 0.000 2.379 371 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 371 V C 2.109 178.126 176.094 -0.128 0.000 1.044 371 V CA 1.494 63.631 62.300 -0.271 0.000 1.036 371 V CB -0.369 31.260 31.823 -0.324 0.000 0.664 371 V HN 0.265 nan 8.190 nan 0.000 0.453 372 L N 0.408 121.601 121.223 -0.049 0.000 2.418 372 L HA 0.251 4.591 4.340 -0.000 0.000 0.218 372 L C 1.588 178.571 176.870 0.190 0.000 1.125 372 L CA 0.826 55.684 54.840 0.030 0.000 0.835 372 L CB -0.713 41.452 42.059 0.178 0.000 0.953 372 L HN 0.561 nan 8.230 nan 0.000 0.454 373 G N 0.773 109.651 108.800 0.131 0.000 2.333 373 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.296 373 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.296 373 G C -0.047 174.940 174.900 0.146 0.000 1.059 373 G CA 0.371 45.552 45.100 0.135 0.000 1.050 373 G HN 0.267 nan 8.290 nan 0.000 0.508 374 S N -0.962 114.809 115.700 0.118 0.000 2.668 374 S HA 0.446 4.916 4.470 -0.000 0.000 0.277 374 S C 1.222 175.792 174.600 -0.051 0.000 1.170 374 S CA -0.725 57.505 58.200 0.049 0.000 0.994 374 S CB 1.289 64.559 63.200 0.118 0.000 1.051 374 S HN 0.347 nan 8.310 nan 0.000 0.484 375 L N 2.522 123.694 121.223 -0.084 0.000 2.275 375 L HA -0.061 4.279 4.340 -0.000 0.000 0.215 375 L C 2.129 178.880 176.870 -0.198 0.000 1.119 375 L CA 1.112 55.894 54.840 -0.097 0.000 0.790 375 L CB -0.336 41.684 42.059 -0.065 0.000 0.919 375 L HN 0.705 nan 8.230 nan 0.000 0.443 376 E N 0.747 120.699 120.200 -0.412 0.000 2.209 376 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 376 E C 2.269 178.448 176.600 -0.702 0.000 0.993 376 E CA 1.073 57.048 56.400 -0.707 0.000 0.819 376 E CB -0.185 28.783 29.700 -1.219 0.000 0.745 376 E HN 0.540 nan 8.360 nan 0.000 0.477 377 A N 0.971 123.476 122.820 -0.525 0.000 2.125 377 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 377 A C 1.991 179.727 177.584 0.254 0.000 1.156 377 A CA 0.798 52.825 52.037 -0.018 0.000 0.671 377 A CB -0.356 18.782 19.000 0.231 0.000 0.794 377 A HN 0.157 nan 8.150 nan 0.000 0.459 378 L N -0.520 120.761 121.223 0.095 0.000 2.591 378 L HA 0.084 4.424 4.340 -0.000 0.000 0.228 378 L C 0.223 177.168 176.870 0.125 0.000 1.133 378 L CA 0.123 55.022 54.840 0.098 0.000 0.880 378 L CB 0.032 42.107 42.059 0.027 0.000 1.033 378 L HN 0.188 nan 8.230 nan 0.000 0.450 379 E N 1.251 121.568 120.200 0.195 0.000 3.312 379 E HA 0.268 4.618 4.350 -0.000 0.000 0.215 379 E C -2.298 174.475 176.600 0.289 0.000 1.160 379 E CA -1.723 54.785 56.400 0.181 0.000 1.267 379 E CB 0.260 30.021 29.700 0.101 0.000 1.361 379 E HN 0.136 nan 8.360 nan 0.000 0.433 380 P HA 0.032 nan 4.420 nan 0.000 0.275 380 P C 1.106 178.432 177.300 0.043 0.000 1.228 380 P CA -0.192 62.874 63.100 -0.056 0.000 0.786 380 P CB 1.603 33.226 31.700 -0.127 0.000 0.927 381 V N -1.220 118.736 119.914 0.070 0.000 3.471 381 V HA 0.283 4.403 4.120 -0.000 0.000 0.258 381 V C 0.455 176.677 176.094 0.214 0.000 1.192 381 V CA 0.893 63.274 62.300 0.136 0.000 1.116 381 V CB -1.199 30.707 31.823 0.138 0.000 0.792 381 V HN 0.651 nan 8.190 nan 0.000 0.459 382 H N -1.210 117.931 119.070 0.119 0.000 3.003 382 H HA 0.622 5.179 4.556 0.000 0.000 0.327 382 H C -2.287 173.262 175.328 0.367 0.000 1.353 382 H CA -0.809 55.334 56.048 0.158 0.000 1.142 382 H CB 1.949 31.701 29.762 -0.018 0.000 1.864 382 H HN 0.145 nan 8.280 nan 0.000 0.529 383 Y N 1.662 121.684 120.300 -0.464 0.000 2.399 383 Y HA 0.463 5.013 4.550 -0.000 0.000 0.327 383 Y C -1.693 174.066 175.900 -0.235 0.000 1.111 383 Y CA -0.639 57.362 58.100 -0.165 0.000 1.047 383 Y CB 1.554 39.941 38.460 -0.122 0.000 1.259 383 Y HN 0.589 nan 8.280 nan 0.000 0.434 384 E N 4.663 124.670 120.200 -0.321 0.000 2.266 384 E HA 0.424 4.774 4.350 -0.000 0.000 0.268 384 E C -1.329 174.922 176.600 -0.581 0.000 0.879 384 E CA -0.729 55.465 56.400 -0.344 0.000 0.762 384 E CB 2.523 32.239 29.700 0.027 0.000 1.199 384 E HN 0.785 nan 8.360 nan 0.000 0.422 385 E N 0.547 120.476 120.200 -0.452 0.000 2.392 385 E HA 0.629 4.979 4.350 -0.000 0.000 0.279 385 E C -1.216 175.321 176.600 -0.105 0.000 0.964 385 E CA -1.021 55.203 56.400 -0.292 0.000 0.777 385 E CB 2.528 32.001 29.700 -0.378 0.000 1.249 385 E HN 0.165 nan 8.360 nan 0.000 0.449 386 K N 1.649 122.044 120.400 -0.008 0.000 2.565 386 K HA 0.265 4.585 4.320 -0.000 0.000 0.249 386 K C -1.470 175.102 176.600 -0.048 0.000 0.958 386 K CA -0.769 55.457 56.287 -0.101 0.000 0.806 386 K CB 1.523 33.894 32.500 -0.215 0.000 1.194 386 K HN 0.535 nan 8.250 nan 0.000 0.434 387 N N 4.161 122.802 118.700 -0.099 0.000 2.437 387 N HA 0.082 4.822 4.740 -0.000 0.000 0.243 387 N C -0.259 175.227 175.510 -0.039 0.000 1.041 387 N CA -0.249 52.807 53.050 0.010 0.000 0.940 387 N CB 0.363 38.858 38.487 0.013 0.000 1.133 387 N HN 0.654 nan 8.380 nan 0.000 0.506 388 W N 2.209 123.557 121.300 0.080 0.000 2.800 388 W HA 0.096 4.756 4.660 -0.000 0.000 0.249 388 W C 2.004 178.546 176.519 0.039 0.000 1.294 388 W CA -0.134 57.252 57.345 0.068 0.000 1.402 388 W CB -0.149 29.370 29.460 0.099 0.000 1.126 388 W HN 0.587 nan 8.180 nan 0.000 0.652 389 C N 0.497 119.915 119.300 0.197 0.000 2.419 389 C HA -0.170 4.290 4.460 -0.000 0.000 0.281 389 C C 2.306 177.334 174.990 0.062 0.000 1.336 389 C CA 1.478 60.565 59.018 0.115 0.000 1.770 389 C CB -1.429 26.360 27.740 0.082 0.000 1.929 389 C HN 0.492 nan 8.230 nan 0.000 0.509 390 E N 0.763 120.982 120.200 0.032 0.000 2.489 390 E HA 0.003 4.353 4.350 -0.000 0.000 0.193 390 E C -0.096 176.487 176.600 -0.027 0.000 1.057 390 E CA 0.312 56.704 56.400 -0.012 0.000 0.866 390 E CB -0.191 29.488 29.700 -0.035 0.000 0.916 390 E HN 0.499 nan 8.360 nan 0.000 0.500 391 E N 2.268 122.474 120.200 0.011 0.000 2.003 391 E HA -0.029 4.321 4.350 -0.000 0.000 0.279 391 E C 0.568 177.160 176.600 -0.013 0.000 1.132 391 E CA 0.007 56.418 56.400 0.020 0.000 0.888 391 E CB 1.391 31.173 29.700 0.138 0.000 1.056 391 E HN 0.376 nan 8.360 nan 0.000 0.399 392 Q N 2.906 122.635 119.800 -0.118 0.000 2.173 392 Q HA -0.223 4.117 4.340 -0.000 0.000 0.208 392 Q C 0.350 176.126 176.000 -0.373 0.000 0.989 392 Q CA 1.808 57.423 55.803 -0.313 0.000 0.872 392 Q CB 0.045 28.470 28.738 -0.522 0.000 0.909 392 Q HN 0.600 nan 8.270 nan 0.000 0.420 393 Y N -1.068 119.261 120.300 0.049 0.000 2.555 393 Y HA 0.291 4.841 4.550 -0.000 0.000 0.259 393 Y C 1.540 177.497 175.900 0.094 0.000 1.179 393 Y CA -0.265 57.871 58.100 0.060 0.000 1.230 393 Y CB 0.927 39.415 38.460 0.046 0.000 1.146 393 Y HN 0.076 nan 8.280 nan 0.000 0.526 394 S N -1.401 114.424 115.700 0.208 0.000 2.748 394 S HA 0.286 4.756 4.470 -0.000 0.000 0.241 394 S C 1.870 176.544 174.600 0.124 0.000 1.064 394 S CA 0.644 58.965 58.200 0.203 0.000 0.892 394 S CB 0.392 63.788 63.200 0.327 0.000 0.810 394 S HN 0.535 nan 8.310 nan 0.000 0.555 395 G N 0.976 109.833 108.800 0.095 0.000 2.199 395 G HA2 0.092 4.052 3.960 -0.000 0.000 0.254 395 G HA3 0.092 4.052 3.960 -0.000 0.000 0.254 395 G C 0.494 175.432 174.900 0.063 0.000 0.982 395 G CA 0.080 45.205 45.100 0.042 0.000 0.632 395 G HN 1.367 nan 8.290 nan 0.000 0.529 396 G N -2.375 106.500 108.800 0.125 0.000 2.350 396 G HA2 0.509 4.469 3.960 -0.000 0.000 0.282 396 G HA3 0.509 4.469 3.960 -0.000 0.000 0.282 396 G C -0.899 174.069 174.900 0.113 0.000 1.314 396 G CA 0.296 45.480 45.100 0.139 0.000 0.915 396 G HN 1.490 nan 8.290 nan 0.000 0.499 397 C N -1.774 117.552 119.300 0.042 0.000 3.311 397 C HA 0.612 5.072 4.460 -0.000 0.000 0.325 397 C C 0.785 175.654 174.990 -0.202 0.000 1.352 397 C CA -0.615 58.367 59.018 -0.060 0.000 1.308 397 C CB 0.755 28.369 27.740 -0.211 0.000 1.619 397 C HN 0.731 nan 8.230 nan 0.000 0.469 398 Y N 0.587 120.815 120.300 -0.120 0.000 2.395 398 Y HA 0.232 4.782 4.550 -0.000 0.000 0.293 398 Y C 1.557 177.414 175.900 -0.070 0.000 1.123 398 Y CA 1.129 59.129 58.100 -0.168 0.000 1.227 398 Y CB -0.452 37.886 38.460 -0.204 0.000 1.012 398 Y HN 0.682 nan 8.280 nan 0.000 0.552 399 T N -1.964 112.660 114.554 0.116 0.000 2.665 399 T HA 0.333 4.683 4.350 -0.000 0.000 0.303 399 T C -0.867 173.915 174.700 0.138 0.000 1.334 399 T CA -0.699 61.504 62.100 0.172 0.000 1.011 399 T CB 1.056 70.110 68.868 0.310 0.000 1.573 399 T HN -0.164 nan 8.240 nan 0.000 0.492 400 T N 2.626 117.278 114.554 0.162 0.000 2.794 400 T HA 0.500 4.850 4.350 -0.000 0.000 0.296 400 T C -0.842 173.856 174.700 -0.004 0.000 0.949 400 T CA 0.002 62.098 62.100 -0.007 0.000 1.101 400 T CB -0.407 68.439 68.868 -0.038 0.000 0.905 400 T HN 0.459 nan 8.240 nan 0.000 0.516 401 Y N 1.172 121.240 120.300 -0.387 0.000 2.528 401 Y HA 0.799 5.349 4.550 -0.000 0.000 0.335 401 Y C -1.303 174.033 175.900 -0.940 0.000 1.093 401 Y CA -2.276 55.252 58.100 -0.954 0.000 1.134 401 Y CB 0.784 38.805 38.460 -0.733 0.000 1.253 401 Y HN 0.407 nan 8.280 nan 0.000 0.478 402 F N 3.096 122.356 119.950 -1.150 0.000 2.402 402 F HA 0.566 5.093 4.527 -0.000 0.000 0.355 402 F C -2.317 173.392 175.800 -0.152 0.000 1.123 402 F CA -2.664 54.990 58.000 -0.576 0.000 1.021 402 F CB 1.527 40.231 39.000 -0.493 0.000 1.160 402 F HN 0.358 nan 8.300 nan 0.000 0.451 403 P HA 0.109 nan 4.420 nan 0.000 0.271 403 P C -2.552 174.847 177.300 0.165 0.000 1.244 403 P CA -1.086 62.100 63.100 0.144 0.000 0.793 403 P CB -0.120 31.618 31.700 0.064 0.000 0.984 404 P HA 0.012 nan 4.420 nan 0.000 0.265 404 P C 1.002 178.391 177.300 0.148 0.000 1.193 404 P CA 1.237 64.434 63.100 0.162 0.000 0.765 404 P CB -0.057 31.721 31.700 0.130 0.000 0.823 405 G N 2.557 111.455 108.800 0.164 0.000 2.268 405 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.240 405 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.240 405 G C 0.850 175.861 174.900 0.185 0.000 1.010 405 G CA 0.179 45.367 45.100 0.146 0.000 0.618 405 G HN 0.432 nan 8.290 nan 0.000 0.516 406 I N 0.497 121.208 120.570 0.236 0.000 2.333 406 I HA 0.140 4.310 4.170 -0.000 0.000 0.246 406 I C 2.636 178.993 176.117 0.399 0.000 1.106 406 I CA 1.428 62.931 61.300 0.339 0.000 1.411 406 I CB -1.268 36.872 38.000 0.233 0.000 1.082 406 I HN 0.303 nan 8.210 nan 0.000 0.420 407 L N 1.134 122.563 121.223 0.343 0.000 2.083 407 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 407 L C 2.573 179.510 176.870 0.112 0.000 1.083 407 L CA 2.328 57.238 54.840 0.118 0.000 0.752 407 L CB -0.926 41.065 42.059 -0.112 0.000 0.899 407 L HN 0.419 nan 8.230 nan 0.000 0.433 408 T N -4.296 110.333 114.554 0.125 0.000 2.904 408 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 408 T C 1.788 176.451 174.700 -0.062 0.000 1.059 408 T CA 0.825 62.972 62.100 0.079 0.000 1.137 408 T CB -0.305 68.613 68.868 0.084 0.000 0.879 408 T HN 0.351 nan 8.240 nan 0.000 0.467 409 Q N -0.059 119.699 119.800 -0.069 0.000 2.212 409 Q HA 0.108 4.448 4.340 -0.000 0.000 0.199 409 Q C 0.935 176.613 176.000 -0.536 0.000 0.950 409 Q CA 1.111 56.722 55.803 -0.319 0.000 0.863 409 Q CB 0.030 28.554 28.738 -0.356 0.000 0.944 409 Q HN 0.770 nan 8.270 nan 0.000 0.465 410 Y N -1.737 118.500 120.300 -0.104 0.000 2.563 410 Y HA 0.272 4.822 4.550 0.000 0.000 0.250 410 Y C 1.963 177.752 175.900 -0.184 0.000 1.126 410 Y CA 0.021 58.044 58.100 -0.127 0.000 1.231 410 Y CB 0.297 38.727 38.460 -0.050 0.000 1.288 410 Y HN 0.071 nan 8.280 nan 0.000 0.537 411 G N 0.763 109.472 108.800 -0.152 0.000 2.440 411 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 411 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 411 G C 1.686 176.122 174.900 -0.774 0.000 1.154 411 G CA 0.860 45.784 45.100 -0.293 0.000 0.767 411 G HN 0.285 nan 8.290 nan 0.000 0.552 412 R N -0.443 119.298 120.500 -1.265 0.000 2.159 412 R HA -0.024 4.316 4.340 -0.000 0.000 0.237 412 R C 2.510 178.572 176.300 -0.396 0.000 1.131 412 R CA 1.008 56.460 56.100 -1.080 0.000 0.982 412 R CB -0.218 29.586 30.300 -0.827 0.000 0.868 412 R HN 0.352 nan 8.270 nan 0.000 0.453 413 V N 0.894 120.636 119.914 -0.287 0.000 2.871 413 V HA -0.137 3.983 4.120 -0.000 0.000 0.256 413 V C 2.183 178.186 176.094 -0.152 0.000 1.082 413 V CA 0.982 63.182 62.300 -0.166 0.000 1.105 413 V CB -0.384 31.374 31.823 -0.108 0.000 0.713 413 V HN 0.326 nan 8.190 nan 0.000 0.473 414 L N 0.990 122.165 121.223 -0.080 0.000 1.990 414 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 414 L C 2.550 179.375 176.870 -0.076 0.000 1.072 414 L CA 2.410 57.226 54.840 -0.040 0.000 0.755 414 L CB -0.259 41.885 42.059 0.141 0.000 0.889 414 L HN 0.467 nan 8.230 nan 0.000 0.432 415 R N -0.724 119.829 120.500 0.089 0.000 2.509 415 R HA 0.134 4.474 4.340 -0.000 0.000 0.300 415 R C 0.566 177.022 176.300 0.260 0.000 0.985 415 R CA -0.240 55.997 56.100 0.227 0.000 1.092 415 R CB -0.020 30.472 30.300 0.320 0.000 1.237 415 R HN 0.245 nan 8.270 nan 0.000 0.546 416 Q N 2.734 122.611 119.800 0.127 0.000 2.255 416 Q HA 0.142 4.482 4.340 -0.000 0.000 0.280 416 Q C -2.108 174.016 176.000 0.205 0.000 1.068 416 Q CA -1.824 54.051 55.803 0.120 0.000 0.911 416 Q CB 0.831 29.580 28.738 0.018 0.000 1.157 416 Q HN 0.077 nan 8.270 nan 0.000 0.380 417 P HA -0.021 nan 4.420 nan 0.000 0.268 417 P C -1.230 176.068 177.300 -0.003 0.000 1.205 417 P CA -0.082 62.967 63.100 -0.085 0.000 0.771 417 P CB 0.705 32.096 31.700 -0.515 0.000 0.858 418 V N 3.754 123.687 119.914 0.032 0.000 2.259 418 V HA 0.123 4.243 4.120 -0.000 0.000 0.267 418 V C 0.748 176.806 176.094 -0.059 0.000 1.051 418 V CA 0.257 62.568 62.300 0.018 0.000 0.830 418 V CB -0.134 31.743 31.823 0.090 0.000 1.080 418 V HN 0.780 nan 8.190 nan 0.000 0.467 419 D N 4.031 124.394 120.400 -0.060 0.000 4.372 419 D HA -0.310 4.330 4.640 -0.000 0.000 0.169 419 D C 1.380 177.651 176.300 -0.048 0.000 0.680 419 D CA 2.393 56.371 54.000 -0.036 0.000 1.152 419 D CB -0.275 40.520 40.800 -0.010 0.000 0.585 419 D HN 0.558 nan 8.370 nan 0.000 0.493 420 R N -0.082 120.414 120.500 -0.008 0.000 2.427 420 R HA 0.445 4.785 4.340 -0.000 0.000 0.262 420 R C -0.161 176.204 176.300 0.109 0.000 0.943 420 R CA -0.142 56.031 56.100 0.121 0.000 1.081 420 R CB 0.367 30.685 30.300 0.031 0.000 1.166 420 R HN 0.295 nan 8.270 nan 0.000 0.534 421 I N 1.321 121.819 120.570 -0.121 0.000 2.315 421 I HA 0.197 4.367 4.170 -0.000 0.000 0.291 421 I C -0.536 175.221 176.117 -0.600 0.000 1.006 421 I CA -0.605 60.545 61.300 -0.252 0.000 1.265 421 I CB 0.596 38.445 38.000 -0.252 0.000 1.387 421 I HN -0.070 nan 8.210 nan 0.000 0.475 422 Y N 5.403 125.458 120.300 -0.409 0.000 2.457 422 Y HA 0.536 5.086 4.550 -0.000 0.000 0.333 422 Y C -0.493 175.047 175.900 -0.600 0.000 1.119 422 Y CA -0.714 57.168 58.100 -0.363 0.000 1.143 422 Y CB 1.403 39.785 38.460 -0.131 0.000 1.230 422 Y HN 0.282 nan 8.280 nan 0.000 0.469 423 F N 1.227 121.287 119.950 0.185 0.000 2.427 423 F HA 0.700 5.227 4.527 -0.000 0.000 0.348 423 F C 0.425 176.302 175.800 0.128 0.000 1.125 423 F CA -0.592 57.489 58.000 0.135 0.000 0.989 423 F CB 1.047 40.113 39.000 0.110 0.000 1.165 423 F HN 0.611 nan 8.300 nan 0.000 0.442 424 A N 2.349 125.310 122.820 0.234 0.000 3.538 424 A HA 0.951 5.271 4.320 -0.000 0.000 0.174 424 A C 0.446 178.158 177.584 0.213 0.000 1.733 424 A CA -0.357 51.786 52.037 0.178 0.000 0.888 424 A CB -0.179 18.883 19.000 0.104 0.000 1.804 424 A HN 1.481 nan 8.150 nan 0.000 0.626 425 G N -2.599 106.305 108.800 0.173 0.000 2.785 425 G HA2 0.084 4.044 3.960 -0.000 0.000 0.686 425 G HA3 0.084 4.044 3.960 -0.000 0.000 0.686 425 G C 0.405 175.432 174.900 0.212 0.000 1.155 425 G CA 0.601 45.810 45.100 0.183 0.000 0.760 425 G HN 1.504 nan 8.290 nan 0.000 0.624 426 T N 0.144 114.824 114.554 0.210 0.000 2.881 426 T HA -0.085 4.265 4.350 -0.000 0.000 0.270 426 T C 2.107 177.003 174.700 0.326 0.000 1.068 426 T CA 2.615 64.865 62.100 0.250 0.000 1.131 426 T CB -0.166 68.844 68.868 0.237 0.000 0.871 426 T HN 0.608 nan 8.240 nan 0.000 0.479 427 E N 0.565 120.964 120.200 0.331 0.000 2.265 427 E HA -0.059 4.291 4.350 -0.000 0.000 0.196 427 E C 2.205 179.064 176.600 0.432 0.000 0.996 427 E CA 1.509 58.159 56.400 0.415 0.000 0.832 427 E CB -0.205 29.700 29.700 0.342 0.000 0.756 427 E HN 0.700 nan 8.360 nan 0.000 0.491 428 T N -2.514 112.255 114.554 0.360 0.000 3.107 428 T HA 0.466 4.816 4.350 -0.000 0.000 0.249 428 T C 0.786 175.727 174.700 0.402 0.000 1.096 428 T CA 0.022 62.340 62.100 0.362 0.000 1.012 428 T CB 0.198 69.256 68.868 0.316 0.000 0.977 428 T HN 0.098 nan 8.240 nan 0.000 0.527 429 A N 1.719 124.781 122.820 0.403 0.000 2.296 429 A HA 0.576 4.896 4.320 -0.000 0.000 0.264 429 A C 1.434 179.288 177.584 0.451 0.000 1.097 429 A CA 0.061 52.337 52.037 0.397 0.000 0.811 429 A CB 0.403 19.594 19.000 0.318 0.000 1.072 429 A HN 0.494 nan 8.150 nan 0.000 0.495 430 T N -2.890 111.901 114.554 0.395 0.000 3.043 430 T HA 0.264 4.614 4.350 -0.000 0.000 0.272 430 T C 0.113 174.903 174.700 0.151 0.000 0.990 430 T CA 0.530 62.810 62.100 0.300 0.000 0.897 430 T CB -0.425 68.571 68.868 0.214 0.000 1.111 430 T HN 0.760 nan 8.240 nan 0.000 0.529 431 H N -0.971 118.116 119.070 0.027 0.000 3.018 431 H HA 0.281 4.837 4.556 0.000 0.000 0.334 431 H C -1.039 174.304 175.328 0.026 0.000 0.983 431 H CA -1.045 54.946 56.048 -0.095 0.000 1.363 431 H CB 0.822 30.589 29.762 0.008 0.000 1.668 431 H HN 0.308 nan 8.280 nan 0.000 0.513 432 W N 2.152 123.224 121.300 -0.380 0.000 4.706 432 W HA -0.250 4.410 4.660 0.000 0.000 0.366 432 W C 0.496 176.964 176.519 -0.084 0.000 1.382 432 W CA 0.952 58.038 57.345 -0.432 0.000 0.832 432 W CB -1.714 27.407 29.460 -0.565 0.000 2.504 432 W HN 0.413 nan 8.180 nan 0.000 1.403 433 S N 0.478 116.224 115.700 0.077 0.000 2.558 433 S HA 0.365 4.835 4.470 -0.000 0.000 0.291 433 S C 1.473 176.304 174.600 0.384 0.000 1.306 433 S CA 1.882 60.237 58.200 0.258 0.000 1.056 433 S CB 0.777 64.176 63.200 0.332 0.000 0.836 433 S HN 1.487 nan 8.310 nan 0.000 0.504 434 G N 2.891 111.970 108.800 0.466 0.000 2.268 434 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.240 434 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.240 434 G C -0.117 174.903 174.900 0.200 0.000 1.010 434 G CA 0.448 45.823 45.100 0.459 0.000 0.618 434 G HN 0.700 nan 8.290 nan 0.000 0.516 435 Y N -0.344 120.081 120.300 0.208 0.000 2.568 435 Y HA 0.724 5.274 4.550 -0.000 0.000 0.327 435 Y C 2.051 177.997 175.900 0.076 0.000 1.163 435 Y CA -0.671 57.500 58.100 0.119 0.000 1.219 435 Y CB 0.683 39.205 38.460 0.102 0.000 1.308 435 Y HN -0.010 nan 8.280 nan 0.000 0.503 436 M N -0.129 119.583 119.600 0.187 0.000 2.108 436 M HA -0.224 4.256 4.480 -0.000 0.000 0.261 436 M C 1.899 178.262 176.300 0.105 0.000 1.066 436 M CA 1.978 57.349 55.300 0.119 0.000 1.107 436 M CB -0.271 32.391 32.600 0.103 0.000 1.356 436 M HN 0.793 nan 8.290 nan 0.000 0.406 437 E N 0.676 120.914 120.200 0.064 0.000 2.048 437 E HA -0.182 4.168 4.350 -0.000 0.000 0.202 437 E C 1.931 178.592 176.600 0.103 0.000 1.021 437 E CA 2.232 58.637 56.400 0.009 0.000 0.825 437 E CB -0.767 28.818 29.700 -0.192 0.000 0.756 437 E HN 0.452 nan 8.360 nan 0.000 0.454 438 G N -0.144 108.769 108.800 0.188 0.000 2.432 438 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.219 438 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.219 438 G C 1.695 176.708 174.900 0.189 0.000 1.135 438 G CA 1.128 46.358 45.100 0.216 0.000 0.767 438 G HN 0.483 nan 8.290 nan 0.000 0.550 439 A N 0.253 123.174 122.820 0.168 0.000 1.908 439 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 439 A C 2.613 180.257 177.584 0.100 0.000 1.181 439 A CA 1.977 54.095 52.037 0.135 0.000 0.627 439 A CB -0.650 18.420 19.000 0.116 0.000 0.818 439 A HN 0.263 nan 8.150 nan 0.000 0.445 440 V N -0.007 119.958 119.914 0.085 0.000 2.307 440 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 440 V C 2.546 178.675 176.094 0.060 0.000 1.045 440 V CA 2.150 64.485 62.300 0.058 0.000 1.024 440 V CB -0.759 31.091 31.823 0.045 0.000 0.651 440 V HN 0.747 nan 8.190 nan 0.000 0.449 441 E N 0.561 120.814 120.200 0.089 0.000 2.049 441 E HA -0.302 4.048 4.350 -0.000 0.000 0.198 441 E C 2.193 178.828 176.600 0.058 0.000 1.007 441 E CA 1.929 58.389 56.400 0.100 0.000 0.809 441 E CB -0.204 29.602 29.700 0.178 0.000 0.749 441 E HN 0.541 nan 8.360 nan 0.000 0.450 442 A N 0.444 123.321 122.820 0.095 0.000 1.969 442 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 442 A C 2.342 179.943 177.584 0.028 0.000 1.169 442 A CA 1.609 53.691 52.037 0.076 0.000 0.635 442 A CB -0.775 18.320 19.000 0.158 0.000 0.810 442 A HN 0.450 nan 8.150 nan 0.000 0.445 443 G N -0.494 108.327 108.800 0.034 0.000 2.394 443 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.215 443 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.215 443 G C 1.404 176.286 174.900 -0.029 0.000 1.165 443 G CA 0.787 45.895 45.100 0.014 0.000 0.784 443 G HN 0.619 nan 8.290 nan 0.000 0.535 444 E N -0.104 120.075 120.200 -0.035 0.000 2.150 444 E HA -0.066 4.284 4.350 -0.000 0.000 0.193 444 E C 2.480 179.005 176.600 -0.125 0.000 0.985 444 E CA 0.263 56.626 56.400 -0.061 0.000 0.814 444 E CB -0.048 29.632 29.700 -0.034 0.000 0.752 444 E HN 0.317 nan 8.360 nan 0.000 0.466 445 R N 1.018 121.407 120.500 -0.185 0.000 2.073 445 R HA -0.050 4.290 4.340 -0.000 0.000 0.229 445 R C 2.192 178.315 176.300 -0.294 0.000 1.120 445 R CA 1.201 57.082 56.100 -0.364 0.000 0.967 445 R CB -0.157 29.751 30.300 -0.653 0.000 0.862 445 R HN 0.112 nan 8.270 nan 0.000 0.436 446 A N 1.109 123.823 122.820 -0.177 0.000 1.902 446 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 446 A C 2.407 179.874 177.584 -0.194 0.000 1.181 446 A CA 1.685 53.652 52.037 -0.116 0.000 0.623 446 A CB -0.754 18.241 19.000 -0.009 0.000 0.818 446 A HN 0.526 nan 8.150 nan 0.000 0.443 447 A N -0.016 122.710 122.820 -0.157 0.000 1.883 447 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 447 A C 2.237 179.694 177.584 -0.211 0.000 1.186 447 A CA 1.699 53.636 52.037 -0.167 0.000 0.624 447 A CB -0.535 18.403 19.000 -0.103 0.000 0.822 447 A HN 0.554 nan 8.150 nan 0.000 0.444 448 R N -0.495 119.891 120.500 -0.190 0.000 2.152 448 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 448 R C 2.052 178.229 176.300 -0.205 0.000 1.117 448 R CA 1.337 57.332 56.100 -0.175 0.000 0.981 448 R CB -0.269 29.938 30.300 -0.154 0.000 0.870 448 R HN 0.699 nan 8.270 nan 0.000 0.451 449 E N 0.646 120.678 120.200 -0.281 0.000 2.072 449 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 449 E C 2.007 178.287 176.600 -0.533 0.000 0.985 449 E CA 1.029 57.244 56.400 -0.307 0.000 0.801 449 E CB -0.055 29.486 29.700 -0.265 0.000 0.750 449 E HN 0.310 nan 8.360 nan 0.000 0.452 450 I N 1.151 121.246 120.570 -0.792 0.000 2.179 450 I HA -0.298 3.872 4.170 -0.000 0.000 0.242 450 I C 2.396 178.171 176.117 -0.570 0.000 1.088 450 I CA 0.953 61.689 61.300 -0.940 0.000 1.357 450 I CB -0.253 37.252 38.000 -0.824 0.000 1.051 450 I HN 0.136 nan 8.210 nan 0.000 0.409 451 L N 0.005 121.024 121.223 -0.339 0.000 2.051 451 L HA -0.323 4.017 4.340 -0.000 0.000 0.214 451 L C 2.735 179.524 176.870 -0.135 0.000 1.076 451 L CA 1.929 56.653 54.840 -0.194 0.000 0.758 451 L CB -1.017 40.969 42.059 -0.122 0.000 0.890 451 L HN 0.397 nan 8.230 nan 0.000 0.433 452 H N -0.023 118.931 119.070 -0.193 0.000 2.321 452 H HA -0.128 4.428 4.556 -0.000 0.000 0.300 452 H C 2.143 177.410 175.328 -0.100 0.000 1.087 452 H CA 1.640 57.619 56.048 -0.115 0.000 1.319 452 H CB -0.017 29.696 29.762 -0.082 0.000 1.379 452 H HN 0.269 nan 8.280 nan 0.000 0.501 453 A N 0.404 123.109 122.820 -0.191 0.000 2.032 453 A HA -0.180 4.140 4.320 -0.000 0.000 0.221 453 A C 2.229 179.743 177.584 -0.117 0.000 1.165 453 A CA 1.880 53.828 52.037 -0.148 0.000 0.645 453 A CB -0.654 18.268 19.000 -0.131 0.000 0.807 453 A HN 0.595 nan 8.150 nan 0.000 0.453 454 M N -1.738 117.760 119.600 -0.170 0.000 2.495 454 M HA 0.180 4.660 4.480 -0.000 0.000 0.237 454 M C 1.413 177.667 176.300 -0.077 0.000 1.131 454 M CA 0.711 55.972 55.300 -0.065 0.000 1.032 454 M CB 0.309 32.868 32.600 -0.068 0.000 1.513 454 M HN 0.616 nan 8.290 nan 0.000 0.488 455 G N 1.093 109.804 108.800 -0.148 0.000 2.184 455 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.264 455 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.264 455 G C 0.965 175.821 174.900 -0.074 0.000 0.975 455 G CA 0.612 45.636 45.100 -0.126 0.000 0.642 455 G HN 0.483 nan 8.290 nan 0.000 0.536 456 K N -0.063 120.298 120.400 -0.065 0.000 2.288 456 K HA 0.194 4.514 4.320 -0.000 0.000 0.201 456 K C 1.378 177.969 176.600 -0.015 0.000 1.048 456 K CA 1.427 57.692 56.287 -0.037 0.000 0.956 456 K CB 0.122 32.597 32.500 -0.042 0.000 0.746 456 K HN 0.861 nan 8.250 nan 0.000 0.461 457 I N -1.967 118.606 120.570 0.004 0.000 2.894 457 I HA 0.420 4.590 4.170 -0.000 0.000 0.302 457 I C -3.033 173.164 176.117 0.134 0.000 1.188 457 I CA -2.977 58.352 61.300 0.048 0.000 1.014 457 I CB 2.520 40.541 38.000 0.035 0.000 1.242 457 I HN -0.270 nan 8.210 nan 0.000 0.430 458 P HA 0.123 nan 4.420 nan 0.000 0.274 458 P C 0.279 177.692 177.300 0.188 0.000 1.256 458 P CA -0.000 63.208 63.100 0.181 0.000 0.795 458 P CB 1.129 32.886 31.700 0.096 0.000 1.038 459 E N 0.786 121.052 120.200 0.110 0.000 2.097 459 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 459 E C 1.417 177.986 176.600 -0.052 0.000 1.000 459 E CA 1.847 58.124 56.400 -0.204 0.000 0.804 459 E CB -0.373 29.230 29.700 -0.161 0.000 0.740 459 E HN 0.505 nan 8.360 nan 0.000 0.454 460 D N 0.136 120.549 120.400 0.021 0.000 2.311 460 D HA -0.224 4.416 4.640 -0.000 0.000 0.212 460 D C 1.146 177.483 176.300 0.063 0.000 0.972 460 D CA 1.004 55.033 54.000 0.048 0.000 0.887 460 D CB -0.208 40.618 40.800 0.043 0.000 0.915 460 D HN 0.384 nan 8.370 nan 0.000 0.497 461 E N -0.371 119.857 120.200 0.046 0.000 2.479 461 E HA 0.141 4.491 4.350 -0.000 0.000 0.193 461 E C 2.032 178.642 176.600 0.017 0.000 1.049 461 E CA -0.281 56.143 56.400 0.040 0.000 0.870 461 E CB 0.231 29.949 29.700 0.031 0.000 0.944 461 E HN 0.377 nan 8.360 nan 0.000 0.492 462 I N -0.213 120.357 120.570 -0.001 0.000 2.202 462 I HA -0.173 3.997 4.170 -0.000 0.000 0.242 462 I C 0.441 176.451 176.117 -0.178 0.000 1.091 462 I CA 0.984 62.217 61.300 -0.112 0.000 1.368 462 I CB 0.051 37.964 38.000 -0.145 0.000 1.058 462 I HN 0.103 nan 8.210 nan 0.000 0.410 463 W N 1.707 123.006 121.300 -0.002 0.000 2.335 463 W HA 0.480 5.140 4.660 0.000 0.000 0.307 463 W C 0.128 176.655 176.519 0.013 0.000 1.117 463 W CA -0.186 57.169 57.345 0.016 0.000 1.228 463 W CB 0.625 30.096 29.460 0.019 0.000 1.240 463 W HN -0.023 nan 8.180 nan 0.000 0.468 464 Q N 2.813 122.741 119.800 0.214 0.000 2.323 464 Q HA 0.440 4.780 4.340 -0.000 0.000 0.271 464 Q C 0.032 176.109 176.000 0.128 0.000 1.048 464 Q CA -0.545 55.336 55.803 0.131 0.000 0.792 464 Q CB 1.791 30.570 28.738 0.068 0.000 1.280 464 Q HN 0.539 nan 8.270 nan 0.000 0.441 465 S N 2.447 118.207 115.700 0.100 0.000 2.634 465 S HA 0.383 4.853 4.470 -0.000 0.000 0.261 465 S C -0.235 174.410 174.600 0.075 0.000 1.271 465 S CA -0.498 57.755 58.200 0.088 0.000 0.985 465 S CB 1.335 64.570 63.200 0.059 0.000 0.968 465 S HN 0.687 nan 8.310 nan 0.000 0.568 466 E N 0.526 120.770 120.200 0.074 0.000 2.246 466 E HA 0.563 4.913 4.350 -0.000 0.000 0.266 466 E C -2.927 173.704 176.600 0.052 0.000 0.880 466 E CA -2.079 54.360 56.400 0.065 0.000 0.762 466 E CB 1.119 30.866 29.700 0.079 0.000 1.180 466 E HN 0.529 nan 8.360 nan 0.000 0.416 467 P HA 0.051 nan 4.420 nan 0.000 0.265 467 P C -0.833 176.485 177.300 0.031 0.000 1.193 467 P CA -0.093 63.025 63.100 0.030 0.000 0.765 467 P CB 0.481 32.196 31.700 0.024 0.000 0.823 468 E N 2.442 122.659 120.200 0.027 0.000 2.480 468 E HA 0.046 4.396 4.350 -0.000 0.000 0.258 468 E C -0.076 176.534 176.600 0.017 0.000 0.984 468 E CA -0.234 56.181 56.400 0.024 0.000 0.930 468 E CB 0.287 29.999 29.700 0.021 0.000 0.936 468 E HN 0.353 nan 8.360 nan 0.000 0.466 469 S N 3.166 118.873 115.700 0.013 0.000 2.563 469 S HA -0.054 4.416 4.470 -0.000 0.000 0.294 469 S C 1.155 175.759 174.600 0.007 0.000 1.279 469 S CA -0.096 58.108 58.200 0.008 0.000 1.069 469 S CB 0.644 63.843 63.200 -0.001 0.000 0.828 469 S HN 0.553 nan 8.310 nan 0.000 0.497 470 V N 2.253 122.173 119.914 0.009 0.000 2.788 470 V HA 0.045 4.165 4.120 -0.000 0.000 0.251 470 V C 1.730 177.828 176.094 0.007 0.000 1.068 470 V CA 1.279 63.584 62.300 0.008 0.000 1.090 470 V CB -0.682 31.147 31.823 0.010 0.000 0.710 470 V HN 0.793 nan 8.190 nan 0.000 0.467 471 D N 1.482 121.887 120.400 0.008 0.000 2.149 471 D HA 0.003 4.643 4.640 -0.000 0.000 0.201 471 D C 0.924 177.222 176.300 -0.003 0.000 0.972 471 D CA 1.383 55.388 54.000 0.008 0.000 0.835 471 D CB 0.354 41.163 40.800 0.016 0.000 0.966 471 D HN 0.512 nan 8.370 nan 0.000 0.476 472 V N 3.382 123.289 119.914 -0.012 0.000 2.271 472 V HA 0.210 4.330 4.120 -0.000 0.000 0.259 472 V C -2.381 173.700 176.094 -0.022 0.000 1.030 472 V CA -1.356 60.926 62.300 -0.029 0.000 0.957 472 V CB 1.047 32.836 31.823 -0.058 0.000 1.186 472 V HN -0.044 nan 8.190 nan 0.000 0.471 473 P HA 0.388 nan 4.420 nan 0.000 0.274 473 P C -0.352 176.944 177.300 -0.006 0.000 1.231 473 P CA -0.025 63.072 63.100 -0.005 0.000 0.790 473 P CB 1.564 33.264 31.700 -0.000 0.000 0.951 474 A N 2.888 125.709 122.820 0.002 0.000 2.260 474 A HA 0.339 4.659 4.320 -0.000 0.000 0.308 474 A C 0.241 177.828 177.584 0.006 0.000 1.254 474 A CA -0.443 51.598 52.037 0.007 0.000 0.874 474 A CB 0.070 19.084 19.000 0.023 0.000 1.153 474 A HN 0.412 nan 8.150 nan 0.000 0.527 475 Q N 2.330 122.132 119.800 0.003 0.000 2.299 475 Q HA 0.415 4.755 4.340 -0.000 0.000 0.246 475 Q C -2.258 173.744 176.000 0.004 0.000 0.935 475 Q CA -1.940 53.864 55.803 0.003 0.000 0.887 475 Q CB 0.560 29.299 28.738 0.002 0.000 1.223 475 Q HN 0.584 nan 8.270 nan 0.000 0.439 476 P HA 0.252 nan 4.420 nan 0.000 0.276 476 P C -0.443 176.855 177.300 -0.002 0.000 1.244 476 P CA -0.517 62.582 63.100 -0.001 0.000 0.801 476 P CB 0.832 32.530 31.700 -0.003 0.000 1.006 477 I N 1.786 122.351 120.570 -0.008 0.000 2.396 477 I HA 0.160 4.330 4.170 -0.000 0.000 0.289 477 I C 1.160 177.273 176.117 -0.007 0.000 1.056 477 I CA 0.161 61.457 61.300 -0.007 0.000 1.365 477 I CB -0.163 37.825 38.000 -0.019 0.000 1.407 477 I HN 0.400 nan 8.210 nan 0.000 0.509 478 T N 2.134 116.691 114.554 0.004 0.000 2.888 478 T HA 0.766 5.116 4.350 -0.000 0.000 0.284 478 T C 0.017 174.715 174.700 -0.002 0.000 1.017 478 T CA -0.682 61.420 62.100 0.004 0.000 1.022 478 T CB 1.977 70.853 68.868 0.013 0.000 1.013 478 T HN 0.658 nan 8.240 nan 0.000 0.465 479 T N -0.791 113.756 114.554 -0.011 0.000 2.876 479 T HA 0.642 4.992 4.350 -0.000 0.000 0.289 479 T C 0.496 175.198 174.700 0.004 0.000 1.014 479 T CA -0.624 61.458 62.100 -0.031 0.000 0.986 479 T CB 1.240 70.067 68.868 -0.069 0.000 1.021 479 T HN 1.030 nan 8.240 nan 0.000 0.458 480 T N 0.559 115.118 114.554 0.008 0.000 2.726 480 T HA 0.268 4.618 4.350 -0.000 0.000 0.294 480 T C 0.825 175.593 174.700 0.113 0.000 1.013 480 T CA -0.570 61.569 62.100 0.066 0.000 0.996 480 T CB 0.213 69.115 68.868 0.058 0.000 1.016 480 T HN 0.556 nan 8.240 nan 0.000 0.529 481 F N 0.626 120.603 119.950 0.045 0.000 2.163 481 F HA 0.122 4.649 4.527 -0.000 0.000 0.297 481 F C 1.840 177.730 175.800 0.150 0.000 1.094 481 F CA 0.960 59.030 58.000 0.117 0.000 1.290 481 F CB -0.560 38.493 39.000 0.090 0.000 1.017 481 F HN 0.461 nan 8.300 nan 0.000 0.483 482 L N 0.727 122.013 121.223 0.105 0.000 1.994 482 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 482 L C 2.344 179.181 176.870 -0.056 0.000 1.071 482 L CA 2.066 56.915 54.840 0.016 0.000 0.745 482 L CB -1.113 41.003 42.059 0.096 0.000 0.892 482 L HN 0.095 nan 8.230 nan 0.000 0.431 483 E N -0.593 119.582 120.200 -0.041 0.000 2.136 483 E HA -0.323 4.027 4.350 -0.000 0.000 0.202 483 E C 2.379 178.861 176.600 -0.196 0.000 1.019 483 E CA 1.618 57.951 56.400 -0.111 0.000 0.819 483 E CB -0.194 29.430 29.700 -0.127 0.000 0.739 483 E HN 0.302 nan 8.360 nan 0.000 0.458 484 R N -0.756 119.580 120.500 -0.272 0.000 2.115 484 R HA -0.057 4.283 4.340 -0.000 0.000 0.226 484 R C 1.550 177.461 176.300 -0.649 0.000 1.100 484 R CA 1.016 56.834 56.100 -0.470 0.000 0.980 484 R CB 0.230 30.187 30.300 -0.572 0.000 0.875 484 R HN 0.299 nan 8.270 nan 0.000 0.445 485 H N -1.420 117.446 119.070 -0.341 0.000 3.241 485 H HA 0.167 4.723 4.556 -0.000 0.000 0.260 485 H C 0.140 175.340 175.328 -0.214 0.000 1.084 485 H CA -0.243 55.599 56.048 -0.343 0.000 1.203 485 H CB 0.580 29.966 29.762 -0.627 0.000 1.524 485 H HN 0.051 nan 8.280 nan 0.000 0.521 486 L N 4.458 125.636 121.223 -0.074 0.000 2.514 486 L HA 0.043 4.383 4.340 -0.000 0.000 0.280 486 L C -1.637 175.200 176.870 -0.054 0.000 1.223 486 L CA -1.310 53.511 54.840 -0.032 0.000 0.864 486 L CB 0.305 42.371 42.059 0.012 0.000 1.118 486 L HN -0.000 nan 8.230 nan 0.000 0.494 487 P HA 0.111 nan 4.420 nan 0.000 0.274 487 P C -0.647 176.600 177.300 -0.088 0.000 1.246 487 P CA -0.582 62.479 63.100 -0.065 0.000 0.795 487 P CB 0.969 32.633 31.700 -0.061 0.000 1.006 488 S N -0.188 115.444 115.700 -0.113 0.000 2.617 488 S HA 0.088 4.558 4.470 -0.000 0.000 0.259 488 S C 1.488 175.957 174.600 -0.218 0.000 1.301 488 S CA -0.541 57.570 58.200 -0.149 0.000 0.984 488 S CB -0.267 62.845 63.200 -0.147 0.000 0.954 488 S HN 0.214 nan 8.310 nan 0.000 0.572 489 V N 2.313 122.041 119.914 -0.309 0.000 2.295 489 V HA -0.052 4.068 4.120 -0.000 0.000 0.246 489 V C -0.411 175.282 176.094 -0.668 0.000 1.049 489 V CA 1.863 63.902 62.300 -0.435 0.000 1.024 489 V CB -1.769 29.805 31.823 -0.414 0.000 0.648 489 V HN 0.825 nan 8.190 nan 0.000 0.447 490 P HA -0.075 nan 4.420 nan 0.000 0.221 490 P C 1.691 178.788 177.300 -0.339 0.000 1.150 490 P CA 1.804 64.453 63.100 -0.752 0.000 0.800 490 P CB -0.205 31.113 31.700 -0.637 0.000 0.787 491 G N 0.452 109.097 108.800 -0.258 0.000 2.422 491 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 491 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 491 G C 1.469 176.291 174.900 -0.130 0.000 1.140 491 G CA 0.387 45.397 45.100 -0.149 0.000 0.775 491 G HN 0.256 nan 8.290 nan 0.000 0.545 492 L N 0.273 121.402 121.223 -0.157 0.000 2.095 492 L HA 0.267 4.607 4.340 -0.000 0.000 0.204 492 L C 2.638 179.442 176.870 -0.111 0.000 1.080 492 L CA 1.056 55.828 54.840 -0.113 0.000 0.759 492 L CB -0.333 41.662 42.059 -0.106 0.000 0.914 492 L HN 0.147 nan 8.230 nan 0.000 0.439 493 L N -0.529 120.597 121.223 -0.162 0.000 2.012 493 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 493 L C 2.741 179.561 176.870 -0.083 0.000 1.073 493 L CA 1.533 56.297 54.840 -0.127 0.000 0.748 493 L CB -0.607 41.343 42.059 -0.181 0.000 0.891 493 L HN 0.257 nan 8.230 nan 0.000 0.431 494 R N -0.602 119.844 120.500 -0.090 0.000 2.193 494 R HA -0.147 4.193 4.340 -0.000 0.000 0.229 494 R C 2.095 178.371 176.300 -0.040 0.000 1.110 494 R CA 0.893 56.961 56.100 -0.053 0.000 0.988 494 R CB -0.165 30.105 30.300 -0.051 0.000 0.871 494 R HN 0.230 nan 8.270 nan 0.000 0.458 495 L N 0.663 121.858 121.223 -0.046 0.000 2.102 495 L HA 0.064 4.404 4.340 -0.000 0.000 0.202 495 L C 1.136 177.991 176.870 -0.025 0.000 1.076 495 L CA 0.938 55.758 54.840 -0.032 0.000 0.761 495 L CB -0.113 41.926 42.059 -0.034 0.000 0.921 495 L HN -0.007 nan 8.230 nan 0.000 0.444 496 I N 0.000 120.553 120.570 -0.029 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.288 61.300 -0.019 0.000 1.566 496 I CB 0.000 37.987 38.000 -0.021 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494