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 3eni_1_C DATA FIRST_RESID 8 DATA SEQUENCE VTTAHSDYEI VLEGGSSSWG KVKARAKVNA PPASPLLPAD CDVKLNVKPL DATA SEQUENCE DPAKGFVRIS AVFESIVDST KNKLTIEADI ANETKERRIS VGEGMVSVGD DATA SEQUENCE FSHTFSFEGS VVNLFYYRSD AVRRNVPNPI YMQGRQFHDI LMKVPLDNND DATA SEQUENCE LIDTWEGTVK AIGSTGAFND WIRDFWFIGP AFTALNEGGQ RISRIEVNGL DATA SEQUENCE NTESGXKGPV GVSRWRFSHG GSGMVDSISR WAELFPSDKL NRPAQVEAGF DATA SEQUENCE RSDSQGIEVK VDGEFPGVSV DAGGGLRRIL NHPLIPLVHH GMVGKFNNFN DATA SEQUENCE VDAQLKVVLP KGYKIRYAAP QYRSQNLEEY RWSGGAYARW VEHVCKGGVG DATA SEQUENCE QFEILYAQ 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 8 V HA 0.000 nan 4.120 nan 0.000 0.244 8 V C 0.000 176.130 176.094 0.060 0.000 1.182 8 V CA 0.000 62.329 62.300 0.048 0.000 1.235 8 V CB 0.000 31.849 31.823 0.043 0.000 1.184 9 T N 3.490 118.087 114.554 0.070 0.000 2.743 9 T HA 0.640 4.991 4.350 0.001 0.000 0.293 9 T C 0.037 174.794 174.700 0.095 0.000 0.945 9 T CA 0.228 62.382 62.100 0.089 0.000 1.030 9 T CB 0.571 69.510 68.868 0.119 0.000 0.912 9 T HN 0.954 nan 8.240 nan 0.000 0.483 10 T N 2.852 117.430 114.554 0.041 0.000 2.848 10 T HA 0.652 5.003 4.350 0.001 0.000 0.285 10 T C -0.385 174.212 174.700 -0.172 0.000 0.995 10 T CA -0.637 61.424 62.100 -0.064 0.000 0.970 10 T CB 1.512 70.288 68.868 -0.152 0.000 0.976 10 T HN 0.649 nan 8.240 nan 0.000 0.441 11 A N 3.303 126.015 122.820 -0.181 0.000 2.260 11 A HA 0.630 4.951 4.320 0.001 0.000 0.314 11 A C -0.518 176.891 177.584 -0.290 0.000 1.257 11 A CA -0.656 51.260 52.037 -0.203 0.000 0.871 11 A CB 0.323 19.196 19.000 -0.210 0.000 1.166 11 A HN 0.891 nan 8.150 nan 0.000 0.522 12 H N 1.967 121.043 119.070 0.010 0.000 2.511 12 H HA 0.578 5.135 4.556 0.001 0.000 0.328 12 H C -0.341 174.965 175.328 -0.037 0.000 1.044 12 H CA 0.003 56.054 56.048 0.005 0.000 1.212 12 H CB 1.737 31.504 29.762 0.008 0.000 1.428 12 H HN 0.777 nan 8.280 nan 0.000 0.483 13 S N 2.925 118.631 115.700 0.011 0.000 2.588 13 S HA 0.441 4.912 4.470 0.001 0.000 0.275 13 S C -1.063 173.331 174.600 -0.344 0.000 1.130 13 S CA -1.024 57.058 58.200 -0.197 0.000 0.855 13 S CB 3.324 66.360 63.200 -0.272 0.000 1.116 13 S HN 0.594 nan 8.310 nan 0.000 0.472 14 D N 0.623 120.705 120.400 -0.529 0.000 2.936 14 D HA 0.427 5.068 4.640 0.001 0.000 0.238 14 D C -1.849 174.185 176.300 -0.445 0.000 1.248 14 D CA -0.101 53.679 54.000 -0.367 0.000 0.903 14 D CB 1.669 42.400 40.800 -0.115 0.000 1.544 14 D HN 0.552 nan 8.370 nan 0.000 0.543 15 Y N 0.816 121.209 120.300 0.155 0.000 2.485 15 Y HA 0.466 5.017 4.550 0.001 0.000 0.345 15 Y C 0.166 176.130 175.900 0.107 0.000 0.998 15 Y CA -0.964 57.217 58.100 0.136 0.000 1.059 15 Y CB 1.896 40.461 38.460 0.175 0.000 1.234 15 Y HN 0.217 nan 8.280 nan 0.000 0.461 16 E N 2.947 123.284 120.200 0.227 0.000 2.304 16 E HA 0.635 4.986 4.350 0.001 0.000 0.277 16 E C -2.022 174.630 176.600 0.088 0.000 0.898 16 E CA -0.496 55.986 56.400 0.137 0.000 0.764 16 E CB 1.500 31.257 29.700 0.094 0.000 1.216 16 E HN 0.703 nan 8.360 nan 0.000 0.419 17 I N 3.887 124.487 120.570 0.049 0.000 2.436 17 I HA 0.379 4.550 4.170 0.001 0.000 0.289 17 I C -0.825 175.274 176.117 -0.031 0.000 1.010 17 I CA -1.185 60.109 61.300 -0.011 0.000 1.098 17 I CB 1.989 39.961 38.000 -0.048 0.000 1.266 17 I HN 0.276 nan 8.210 nan 0.000 0.434 18 V N 7.154 127.038 119.914 -0.050 0.000 2.350 18 V HA 0.411 4.531 4.120 0.001 0.000 0.285 18 V C 0.083 176.127 176.094 -0.083 0.000 1.014 18 V CA -0.487 61.780 62.300 -0.056 0.000 0.831 18 V CB 1.533 33.334 31.823 -0.036 0.000 1.000 18 V HN 0.499 nan 8.190 nan 0.000 0.433 19 L N 3.918 125.070 121.223 -0.118 0.000 2.357 19 L HA 0.528 4.869 4.340 0.001 0.000 0.273 19 L C 0.527 177.334 176.870 -0.106 0.000 1.080 19 L CA -0.358 54.403 54.840 -0.131 0.000 0.803 19 L CB 1.166 43.084 42.059 -0.235 0.000 1.174 19 L HN 0.572 nan 8.230 nan 0.000 0.443 20 E N 0.487 120.654 120.200 -0.055 0.000 2.283 20 E HA 0.332 4.682 4.350 0.001 0.000 0.271 20 E C -0.040 176.513 176.600 -0.078 0.000 1.031 20 E CA -0.502 55.871 56.400 -0.044 0.000 0.868 20 E CB 1.569 31.275 29.700 0.011 0.000 1.094 20 E HN 0.746 nan 8.360 nan 0.000 0.401 21 G N 0.296 109.054 108.800 -0.071 0.000 2.572 21 G HA2 0.533 4.494 3.960 0.001 0.000 0.261 21 G HA3 0.533 4.494 3.960 0.001 0.000 0.261 21 G C -0.165 174.742 174.900 0.013 0.000 1.197 21 G CA 0.299 45.355 45.100 -0.073 0.000 0.870 21 G HN 0.582 nan 8.290 nan 0.000 0.548 22 G N -2.683 106.172 108.800 0.093 0.000 0.000 22 G HA2 0.657 4.618 3.960 0.001 0.000 0.000 22 G HA3 0.657 4.618 3.960 0.001 0.000 0.000 22 G C -0.078 nan 174.900 nan 0.000 0.000 22 G CA 0.749 nan 45.100 nan 0.000 0.000 22 G HN 1.799 nan 8.290 nan 0.000 0.000 23 S N -1.618 114.129 115.700 0.078 0.000 0.000 23 S HA 0.491 4.961 4.470 0.001 0.000 0.000 23 S C 0.912 175.557 174.600 0.075 0.000 0.000 23 S CA 1.369 59.605 58.200 0.060 0.000 0.000 23 S CB -0.488 62.744 63.200 0.053 0.000 0.000 23 S HN 2.041 nan 8.310 nan 0.000 0.000 24 S N 2.977 118.732 115.700 0.092 0.000 2.525 24 S HA 0.403 4.873 4.470 0.001 0.000 0.285 24 S C 1.154 175.843 174.600 0.148 0.000 1.283 24 S CA 0.675 58.971 58.200 0.159 0.000 1.072 24 S CB 0.469 63.745 63.200 0.127 0.000 0.867 24 S HN 1.064 nan 8.310 nan 0.000 0.492 25 S N 4.049 119.846 115.700 0.162 0.000 2.577 25 S HA 0.193 4.664 4.470 0.001 0.000 0.219 25 S C -0.006 174.631 174.600 0.061 0.000 0.962 25 S CA -0.800 57.443 58.200 0.070 0.000 0.921 25 S CB -0.231 62.969 63.200 -0.001 0.000 0.789 25 S HN 0.723 nan 8.310 nan 0.000 0.497 26 W N 1.829 123.097 121.300 -0.053 0.000 2.158 26 W HA 0.556 5.216 4.660 0.001 0.000 0.339 26 W C 0.919 177.350 176.519 -0.146 0.000 1.294 26 W CA 0.960 58.250 57.345 -0.093 0.000 1.231 26 W CB 0.329 29.739 29.460 -0.083 0.000 1.143 26 W HN 0.350 nan 8.180 nan 0.000 0.571 27 G N 1.524 110.312 108.800 -0.020 0.000 2.704 27 G HA2 0.560 4.521 3.960 0.001 0.000 0.293 27 G HA3 0.560 4.521 3.960 0.001 0.000 0.293 27 G C -1.791 172.961 174.900 -0.246 0.000 1.421 27 G CA -1.185 43.837 45.100 -0.129 0.000 0.870 27 G HN 0.250 nan 8.290 nan 0.000 0.492 28 K N 0.236 120.539 120.400 -0.162 0.000 2.206 28 K HA 0.637 4.957 4.320 0.001 0.000 0.264 28 K C -0.956 175.564 176.600 -0.133 0.000 0.967 28 K CA -0.665 55.532 56.287 -0.150 0.000 0.844 28 K CB 2.498 34.963 32.500 -0.058 0.000 1.099 28 K HN 0.209 nan 8.250 nan 0.000 0.441 29 V N 3.590 123.434 119.914 -0.116 0.000 2.531 29 V HA 0.355 4.475 4.120 0.001 0.000 0.301 29 V C -0.581 175.553 176.094 0.066 0.000 1.034 29 V CA -0.875 61.424 62.300 -0.003 0.000 0.865 29 V CB 1.713 33.567 31.823 0.051 0.000 0.995 29 V HN 0.677 nan 8.190 nan 0.000 0.424 30 K N 2.884 123.339 120.400 0.092 0.000 2.378 30 K HA 0.903 5.224 4.320 0.001 0.000 0.252 30 K C -0.838 175.860 176.600 0.162 0.000 0.931 30 K CA -0.578 55.774 56.287 0.108 0.000 0.794 30 K CB 2.591 35.138 32.500 0.078 0.000 1.181 30 K HN 0.829 nan 8.250 nan 0.000 0.425 31 A N 2.910 125.830 122.820 0.167 0.000 2.488 31 A HA 0.663 4.984 4.320 0.001 0.000 0.298 31 A C -1.274 176.383 177.584 0.122 0.000 1.044 31 A CA -0.956 51.209 52.037 0.213 0.000 0.693 31 A CB 1.397 20.608 19.000 0.351 0.000 1.272 31 A HN 0.604 nan 8.150 nan 0.000 0.402 32 R N 0.542 121.070 120.500 0.046 0.000 2.686 32 R HA 0.851 5.192 4.340 0.001 0.000 0.283 32 R C -0.838 175.461 176.300 -0.002 0.000 0.978 32 R CA -0.448 55.671 56.100 0.032 0.000 0.897 32 R CB 2.164 32.472 30.300 0.013 0.000 1.192 32 R HN 1.276 nan 8.270 nan 0.000 0.457 33 A N 1.934 124.780 122.820 0.044 0.000 2.549 33 A HA 0.668 4.988 4.320 0.001 0.000 0.297 33 A C -1.340 176.281 177.584 0.062 0.000 1.061 33 A CA -0.843 51.218 52.037 0.041 0.000 0.690 33 A CB 2.090 21.128 19.000 0.063 0.000 1.287 33 A HN 0.723 nan 8.150 nan 0.000 0.402 34 K N 0.112 120.556 120.400 0.074 0.000 2.565 34 K HA 0.697 5.018 4.320 0.001 0.000 0.251 34 K C -2.233 174.416 176.600 0.082 0.000 0.956 34 K CA -0.579 55.760 56.287 0.086 0.000 0.809 34 K CB 2.239 34.798 32.500 0.098 0.000 1.267 34 K HN 1.152 nan 8.250 nan 0.000 0.438 35 V N 3.727 123.665 119.914 0.040 0.000 2.686 35 V HA 0.464 4.585 4.120 0.001 0.000 0.306 35 V C -1.342 174.767 176.094 0.026 0.000 1.065 35 V CA -0.782 61.519 62.300 0.001 0.000 0.894 35 V CB 1.920 33.684 31.823 -0.097 0.000 1.004 35 V HN 0.991 nan 8.190 nan 0.000 0.424 36 N N 5.389 124.113 118.700 0.041 0.000 3.331 36 N HA 0.495 5.236 4.740 0.001 0.000 0.303 36 N C -0.492 175.041 175.510 0.039 0.000 1.326 36 N CA 0.129 53.208 53.050 0.049 0.000 1.207 36 N CB 1.057 39.583 38.487 0.065 0.000 1.477 36 N HN 0.813 nan 8.380 nan 0.000 0.541 37 A N 1.090 123.925 122.820 0.026 0.000 2.475 37 A HA 0.689 5.010 4.320 0.001 0.000 0.301 37 A C -2.865 174.736 177.584 0.029 0.000 1.059 37 A CA -1.444 50.612 52.037 0.032 0.000 0.710 37 A CB 1.817 20.833 19.000 0.026 0.000 1.288 37 A HN 0.262 nan 8.150 nan 0.000 0.408 38 P HA 0.327 nan 4.420 nan 0.000 0.271 38 P C -2.607 174.712 177.300 0.032 0.000 1.216 38 P CA -0.844 62.274 63.100 0.030 0.000 0.776 38 P CB 0.010 31.723 31.700 0.021 0.000 0.881 39 P HA 0.144 nan 4.420 nan 0.000 0.274 39 P C -0.221 177.094 177.300 0.025 0.000 1.237 39 P CA -0.444 62.663 63.100 0.012 0.000 0.793 39 P CB 0.501 32.198 31.700 -0.005 0.000 0.977 40 A N 0.893 123.740 122.820 0.045 0.000 3.019 40 A HA 0.235 4.556 4.320 0.001 0.000 0.262 40 A C 0.774 178.360 177.584 0.003 0.000 1.509 40 A CA 0.025 52.082 52.037 0.034 0.000 1.159 40 A CB -1.079 18.017 19.000 0.159 0.000 1.042 40 A HN 0.439 nan 8.150 nan 0.000 0.641 41 S N 0.904 116.605 115.700 0.002 0.000 2.442 41 S HA 0.514 4.985 4.470 0.001 0.000 0.297 41 S C -1.369 173.229 174.600 -0.003 0.000 1.131 41 S CA -1.326 56.878 58.200 0.008 0.000 1.092 41 S CB 0.975 64.194 63.200 0.032 0.000 0.998 41 S HN 0.355 nan 8.310 nan 0.000 0.478 42 P HA 0.164 nan 4.420 nan 0.000 0.242 42 P C -0.459 176.838 177.300 -0.005 0.000 1.197 42 P CA 0.411 63.501 63.100 -0.018 0.000 0.765 42 P CB 0.036 31.721 31.700 -0.026 0.000 0.936 43 L N 0.262 121.491 121.223 0.010 0.000 2.376 43 L HA 0.469 4.810 4.340 0.001 0.000 0.275 43 L C -0.293 176.597 176.870 0.034 0.000 0.987 43 L CA -0.632 54.219 54.840 0.019 0.000 0.828 43 L CB 2.119 44.191 42.059 0.022 0.000 1.249 43 L HN -0.206 nan 8.230 nan 0.000 0.409 44 L N 4.309 125.551 121.223 0.032 0.000 2.388 44 L HA 0.674 5.014 4.340 0.001 0.000 0.264 44 L C -2.251 174.643 176.870 0.039 0.000 0.998 44 L CA -1.656 53.210 54.840 0.044 0.000 0.817 44 L CB 2.858 44.940 42.059 0.038 0.000 1.338 44 L HN 0.358 nan 8.230 nan 0.000 0.414 45 P HA 0.491 nan 4.420 nan 0.000 0.279 45 P C -1.535 175.815 177.300 0.082 0.000 1.276 45 P CA -0.588 62.551 63.100 0.065 0.000 0.801 45 P CB 1.360 33.095 31.700 0.058 0.000 1.127 46 A N 0.792 123.688 122.820 0.126 0.000 2.414 46 A HA 0.557 4.877 4.320 0.001 0.000 0.286 46 A C -1.292 176.406 177.584 0.190 0.000 1.073 46 A CA -0.504 51.633 52.037 0.168 0.000 0.727 46 A CB 0.743 19.885 19.000 0.237 0.000 1.215 46 A HN 0.389 nan 8.150 nan 0.000 0.430 47 D N 0.472 120.876 120.400 0.006 0.000 2.457 47 D HA 0.654 5.294 4.640 0.001 0.000 0.240 47 D C -1.116 174.930 176.300 -0.424 0.000 1.041 47 D CA -0.052 53.827 54.000 -0.202 0.000 0.861 47 D CB 2.091 42.831 40.800 -0.099 0.000 1.394 47 D HN 0.546 nan 8.370 nan 0.000 0.473 48 C N 1.416 120.232 119.300 -0.807 0.000 2.891 48 C HA 0.438 4.898 4.460 0.001 0.000 0.342 48 C C -1.883 172.861 174.990 -0.410 0.000 1.126 48 C CA -0.493 58.165 59.018 -0.600 0.000 1.322 48 C CB 1.361 28.656 27.740 -0.741 0.000 1.763 48 C HN 0.511 nan 8.230 nan 0.000 0.491 49 D N 3.147 123.440 120.400 -0.178 0.000 2.498 49 D HA 0.668 5.309 4.640 0.001 0.000 0.247 49 D C -1.011 175.236 176.300 -0.088 0.000 1.070 49 D CA -0.025 53.911 54.000 -0.107 0.000 0.842 49 D CB 2.357 43.111 40.800 -0.076 0.000 1.361 49 D HN 0.426 nan 8.370 nan 0.000 0.484 50 V N 0.683 120.532 119.914 -0.108 0.000 2.709 50 V HA 0.570 4.691 4.120 0.001 0.000 0.308 50 V C -0.183 175.795 176.094 -0.193 0.000 1.062 50 V CA -0.787 61.368 62.300 -0.242 0.000 0.901 50 V CB 2.194 33.877 31.823 -0.233 0.000 1.003 50 V HN 0.286 nan 8.190 nan 0.000 0.425 51 K N 4.875 125.123 120.400 -0.254 0.000 2.507 51 K HA 0.807 5.127 4.320 0.001 0.000 0.251 51 K C -1.557 174.946 176.600 -0.161 0.000 0.943 51 K CA -0.379 55.821 56.287 -0.145 0.000 0.794 51 K CB 1.507 33.954 32.500 -0.089 0.000 1.188 51 K HN 0.706 nan 8.250 nan 0.000 0.428 52 L N 3.440 124.607 121.223 -0.092 0.000 2.381 52 L HA 0.646 4.986 4.340 0.001 0.000 0.268 52 L C -0.576 176.296 176.870 0.003 0.000 0.997 52 L CA -0.973 53.833 54.840 -0.057 0.000 0.818 52 L CB 2.602 44.625 42.059 -0.059 0.000 1.310 52 L HN 0.721 nan 8.230 nan 0.000 0.416 53 N N 1.093 119.808 118.700 0.025 0.000 2.308 53 N HA 0.704 5.445 4.740 0.001 0.000 0.283 53 N C -1.738 173.813 175.510 0.067 0.000 1.105 53 N CA -0.458 52.624 53.050 0.054 0.000 0.840 53 N CB 3.299 41.815 38.487 0.048 0.000 1.633 53 N HN 0.237 nan 8.380 nan 0.000 0.476 54 V N 1.300 121.267 119.914 0.087 0.000 2.888 54 V HA 0.691 4.812 4.120 0.001 0.000 0.309 54 V C -1.678 174.484 176.094 0.113 0.000 1.114 54 V CA -0.525 61.834 62.300 0.098 0.000 0.940 54 V CB 1.711 33.591 31.823 0.095 0.000 1.021 54 V HN 0.749 nan 8.190 nan 0.000 0.426 55 K N 5.233 125.699 120.400 0.110 0.000 2.469 55 K HA 0.722 5.043 4.320 0.001 0.000 0.254 55 K C -3.217 173.448 176.600 0.108 0.000 0.939 55 K CA -2.092 54.260 56.287 0.109 0.000 0.812 55 K CB 2.294 34.846 32.500 0.087 0.000 1.301 55 K HN 0.364 nan 8.250 nan 0.000 0.433 56 P HA -0.011 nan 4.420 nan 0.000 0.267 56 P C -0.281 177.074 177.300 0.092 0.000 1.205 56 P CA -0.398 62.760 63.100 0.096 0.000 0.765 56 P CB 0.570 32.321 31.700 0.083 0.000 0.828 57 L N 2.985 124.278 121.223 0.115 0.000 2.416 57 L HA 0.366 4.707 4.340 0.001 0.000 0.188 57 L C 0.187 177.110 176.870 0.088 0.000 1.145 57 L CA 1.635 56.535 54.840 0.101 0.000 0.826 57 L CB -0.221 41.922 42.059 0.140 0.000 1.064 57 L HN 0.269 nan 8.230 nan 0.000 0.490 58 D N -1.260 119.221 120.400 0.135 0.000 2.346 58 D HA 0.281 4.922 4.640 0.001 0.000 0.255 58 D C -2.191 174.186 176.300 0.129 0.000 1.276 58 D CA -1.950 52.117 54.000 0.113 0.000 0.941 58 D CB 1.331 42.190 40.800 0.098 0.000 1.199 58 D HN -0.075 nan 8.370 nan 0.000 0.537 59 P HA -0.076 nan 4.420 nan 0.000 0.221 59 P C 1.102 178.437 177.300 0.058 0.000 1.145 59 P CA 1.047 64.185 63.100 0.062 0.000 0.795 59 P CB 0.299 32.026 31.700 0.044 0.000 0.775 60 A N 0.370 123.229 122.820 0.066 0.000 1.898 60 A HA -0.161 4.159 4.320 0.001 0.000 0.216 60 A C 2.059 179.689 177.584 0.076 0.000 1.181 60 A CA 2.000 54.072 52.037 0.058 0.000 0.620 60 A CB -0.834 18.197 19.000 0.052 0.000 0.819 60 A HN 0.322 nan 8.150 nan 0.000 0.442 61 K N -2.062 118.413 120.400 0.126 0.000 2.372 61 K HA 0.428 4.749 4.320 0.001 0.000 0.200 61 K C 1.102 177.774 176.600 0.120 0.000 1.022 61 K CA 0.968 57.353 56.287 0.164 0.000 1.125 61 K CB -0.839 31.829 32.500 0.280 0.000 0.855 61 K HN 1.880 nan 8.250 nan 0.000 0.524 62 G N 0.220 109.071 108.800 0.085 0.000 2.153 62 G HA2 -0.250 3.710 3.960 0.001 0.000 0.252 62 G HA3 -0.250 3.710 3.960 0.001 0.000 0.252 62 G C -0.114 174.782 174.900 -0.006 0.000 0.994 62 G CA 0.231 45.334 45.100 0.006 0.000 0.698 62 G HN 0.510 nan 8.290 nan 0.000 0.521 63 F N 0.213 120.201 119.950 0.064 0.000 2.443 63 F HA 0.532 5.059 4.527 0.001 0.000 0.353 63 F C 0.965 176.817 175.800 0.088 0.000 1.101 63 F CA 0.262 58.313 58.000 0.085 0.000 1.226 63 F CB 1.542 40.575 39.000 0.054 0.000 1.140 63 F HN 0.379 nan 8.300 nan 0.000 0.557 64 V N 1.962 122.062 119.914 0.309 0.000 2.962 64 V HA 0.687 4.807 4.120 0.001 0.000 0.313 64 V C -0.993 175.243 176.094 0.237 0.000 1.099 64 V CA -1.247 61.192 62.300 0.233 0.000 0.971 64 V CB 2.004 33.948 31.823 0.202 0.000 1.028 64 V HN 0.778 nan 8.190 nan 0.000 0.430 65 R N 2.871 123.473 120.500 0.170 0.000 2.343 65 R HA 0.756 5.096 4.340 0.001 0.000 0.320 65 R C -1.262 175.111 176.300 0.121 0.000 0.956 65 R CA -0.584 55.599 56.100 0.138 0.000 0.836 65 R CB 1.514 31.872 30.300 0.096 0.000 1.151 65 R HN 1.004 nan 8.270 nan 0.000 0.450 66 I N 3.470 124.113 120.570 0.123 0.000 2.493 66 I HA 0.448 4.618 4.170 0.001 0.000 0.298 66 I C -1.055 175.123 176.117 0.101 0.000 0.998 66 I CA -0.326 61.040 61.300 0.110 0.000 1.137 66 I CB 1.809 39.878 38.000 0.114 0.000 1.310 66 I HN 0.877 nan 8.210 nan 0.000 0.445 67 S N 6.241 121.990 115.700 0.082 0.000 2.547 67 S HA 0.910 5.380 4.470 0.001 0.000 0.281 67 S C -0.936 173.697 174.600 0.054 0.000 1.118 67 S CA -0.605 57.640 58.200 0.075 0.000 0.947 67 S CB 1.808 65.040 63.200 0.053 0.000 1.053 67 S HN 0.905 nan 8.310 nan 0.000 0.482 68 A N 2.372 125.237 122.820 0.074 0.000 2.386 68 A HA 0.852 5.173 4.320 0.001 0.000 0.311 68 A C -1.086 176.503 177.584 0.009 0.000 1.068 68 A CA -0.833 51.211 52.037 0.011 0.000 0.743 68 A CB 1.724 20.800 19.000 0.126 0.000 1.258 68 A HN 1.185 nan 8.150 nan 0.000 0.429 69 V N 1.814 121.632 119.914 -0.160 0.000 2.577 69 V HA 0.535 4.655 4.120 0.001 0.000 0.303 69 V C -1.338 174.596 176.094 -0.266 0.000 1.042 69 V CA -0.262 61.993 62.300 -0.076 0.000 0.872 69 V CB 1.225 33.021 31.823 -0.046 0.000 0.998 69 V HN 0.734 nan 8.190 nan 0.000 0.423 70 F N 2.298 122.272 119.950 0.040 0.000 2.467 70 F HA 0.638 5.165 4.527 0.001 0.000 0.336 70 F C 0.384 176.193 175.800 0.015 0.000 1.123 70 F CA -0.394 57.624 58.000 0.030 0.000 0.964 70 F CB 1.869 40.897 39.000 0.046 0.000 1.136 70 F HN 0.407 nan 8.300 nan 0.000 0.447 71 E N 1.712 121.991 120.200 0.131 0.000 2.256 71 E HA 0.597 4.948 4.350 0.001 0.000 0.268 71 E C -1.278 175.338 176.600 0.027 0.000 0.877 71 E CA -0.646 55.796 56.400 0.071 0.000 0.757 71 E CB 2.370 32.085 29.700 0.024 0.000 1.183 71 E HN 0.657 nan 8.360 nan 0.000 0.418 72 S N 2.621 118.337 115.700 0.026 0.000 2.638 72 S HA 0.678 5.149 4.470 0.001 0.000 0.274 72 S C -0.816 173.785 174.600 0.001 0.000 1.157 72 S CA -0.836 57.355 58.200 -0.015 0.000 0.826 72 S CB 1.206 64.408 63.200 0.003 0.000 1.139 72 S HN 0.397 nan 8.310 nan 0.000 0.474 73 I N 1.528 122.093 120.570 -0.008 0.000 2.468 73 I HA 0.469 4.640 4.170 0.001 0.000 0.285 73 I C -1.402 174.731 176.117 0.027 0.000 1.039 73 I CA -0.915 60.393 61.300 0.012 0.000 1.074 73 I CB 2.068 40.072 38.000 0.007 0.000 1.228 73 I HN 0.448 nan 8.210 nan 0.000 0.436 74 V N 4.906 124.843 119.914 0.038 0.000 2.376 74 V HA 0.240 4.360 4.120 0.001 0.000 0.287 74 V C 0.107 176.225 176.094 0.039 0.000 1.015 74 V CA -0.373 61.957 62.300 0.049 0.000 0.834 74 V CB 1.363 33.219 31.823 0.055 0.000 1.001 74 V HN 0.902 nan 8.190 nan 0.000 0.428 75 D N 5.038 125.461 120.400 0.039 0.000 2.689 75 D HA -0.256 4.385 4.640 0.001 0.000 0.237 75 D C 1.092 177.408 176.300 0.027 0.000 1.148 75 D CA 1.875 55.893 54.000 0.030 0.000 0.656 75 D CB -0.804 40.011 40.800 0.026 0.000 1.050 75 D HN 1.636 nan 8.370 nan 0.000 0.426 76 S N -3.715 112.001 115.700 0.027 0.000 2.691 76 S HA -0.251 4.219 4.470 0.001 0.000 0.262 76 S C 0.444 175.060 174.600 0.026 0.000 1.284 76 S CA 1.590 59.805 58.200 0.024 0.000 1.372 76 S CB -1.992 61.221 63.200 0.022 0.000 1.693 76 S HN 0.586 nan 8.310 nan 0.000 0.647 77 T N 3.645 118.217 114.554 0.030 0.000 2.771 77 T HA 0.446 4.797 4.350 0.001 0.000 0.291 77 T C -0.131 174.590 174.700 0.036 0.000 0.954 77 T CA -0.411 61.710 62.100 0.035 0.000 1.045 77 T CB 1.237 70.127 68.868 0.036 0.000 0.917 77 T HN 0.361 nan 8.240 nan 0.000 0.484 78 K N 4.397 124.820 120.400 0.038 0.000 2.227 78 K HA 0.327 4.648 4.320 0.001 0.000 0.280 78 K C 0.003 176.632 176.600 0.049 0.000 1.041 78 K CA -0.642 55.667 56.287 0.037 0.000 0.905 78 K CB 0.684 33.203 32.500 0.033 0.000 1.068 78 K HN 0.569 nan 8.250 nan 0.000 0.470 79 N N 2.924 121.654 118.700 0.050 0.000 2.328 79 N HA 0.402 5.143 4.740 0.001 0.000 0.299 79 N C -1.078 174.472 175.510 0.068 0.000 1.179 79 N CA -0.790 52.298 53.050 0.062 0.000 0.793 79 N CB 2.565 41.089 38.487 0.061 0.000 1.366 79 N HN 0.406 nan 8.380 nan 0.000 0.493 80 K N 0.854 121.301 120.400 0.078 0.000 2.542 80 K HA 0.510 4.830 4.320 0.001 0.000 0.259 80 K C -2.167 174.499 176.600 0.111 0.000 0.932 80 K CA -0.610 55.733 56.287 0.094 0.000 0.820 80 K CB 1.952 34.492 32.500 0.067 0.000 1.345 80 K HN 0.493 nan 8.250 nan 0.000 0.432 81 L N 2.753 124.080 121.223 0.173 0.000 2.436 81 L HA 0.625 4.966 4.340 0.001 0.000 0.268 81 L C -1.391 175.639 176.870 0.265 0.000 0.974 81 L CA 0.039 54.998 54.840 0.199 0.000 0.826 81 L CB 2.281 44.436 42.059 0.160 0.000 1.291 81 L HN 0.836 nan 8.230 nan 0.000 0.406 82 T N 2.771 117.445 114.554 0.200 0.000 2.893 82 T HA 0.786 5.137 4.350 0.001 0.000 0.291 82 T C -0.755 174.055 174.700 0.183 0.000 1.028 82 T CA -0.615 61.587 62.100 0.169 0.000 0.995 82 T CB 1.691 70.600 68.868 0.069 0.000 1.051 82 T HN 0.743 nan 8.240 nan 0.000 0.470 83 I N 0.204 120.894 120.570 0.200 0.000 2.752 83 I HA 0.615 4.786 4.170 0.001 0.000 0.295 83 I C -1.676 174.544 176.117 0.172 0.000 1.219 83 I CA -0.548 60.890 61.300 0.229 0.000 1.030 83 I CB 2.109 40.340 38.000 0.385 0.000 1.259 83 I HN 0.804 nan 8.210 nan 0.000 0.423 84 E N 5.934 126.224 120.200 0.149 0.000 2.256 84 E HA 0.761 5.112 4.350 0.001 0.000 0.268 84 E C -1.530 175.145 176.600 0.125 0.000 0.877 84 E CA -0.999 55.465 56.400 0.108 0.000 0.757 84 E CB 2.257 31.982 29.700 0.041 0.000 1.183 84 E HN 0.734 nan 8.360 nan 0.000 0.418 85 A N 2.987 125.887 122.820 0.133 0.000 2.572 85 A HA 0.564 4.884 4.320 0.001 0.000 0.295 85 A C -1.511 176.144 177.584 0.118 0.000 1.072 85 A CA -0.867 51.243 52.037 0.122 0.000 0.691 85 A CB 1.572 20.731 19.000 0.265 0.000 1.291 85 A HN 0.472 nan 8.150 nan 0.000 0.404 86 D N 1.033 121.504 120.400 0.119 0.000 2.256 86 D HA 0.664 5.305 4.640 0.001 0.000 0.240 86 D C -0.694 175.790 176.300 0.307 0.000 1.062 86 D CA 0.351 54.500 54.000 0.249 0.000 0.832 86 D CB 1.429 42.354 40.800 0.209 0.000 1.135 86 D HN 0.435 nan 8.370 nan 0.000 0.484 87 I N 1.035 121.745 120.570 0.232 0.000 2.647 87 I HA 0.745 4.915 4.170 0.001 0.000 0.295 87 I C -0.517 175.424 176.117 -0.293 0.000 1.078 87 I CA -0.872 60.399 61.300 -0.049 0.000 1.048 87 I CB 2.145 40.032 38.000 -0.189 0.000 1.239 87 I HN 0.353 nan 8.210 nan 0.000 0.421 88 A N 4.018 126.527 122.820 -0.519 0.000 2.594 88 A HA 0.609 4.929 4.320 0.001 0.000 0.295 88 A C -1.427 176.015 177.584 -0.236 0.000 1.071 88 A CA -0.768 50.951 52.037 -0.531 0.000 0.685 88 A CB 1.494 19.657 19.000 -1.395 0.000 1.285 88 A HN 0.622 nan 8.150 nan 0.000 0.405 89 N N 0.934 119.610 118.700 -0.041 0.000 2.520 89 N HA 0.204 4.945 4.740 0.001 0.000 0.273 89 N C 0.614 176.101 175.510 -0.038 0.000 1.155 89 N CA 0.043 53.096 53.050 0.005 0.000 0.967 89 N CB 1.666 40.189 38.487 0.059 0.000 1.092 89 N HN 0.781 nan 8.380 nan 0.000 0.457 90 E N -0.036 120.162 120.200 -0.004 0.000 2.132 90 E HA -0.001 4.350 4.350 0.001 0.000 0.193 90 E C 0.443 177.058 176.600 0.024 0.000 0.951 90 E CA 0.783 57.186 56.400 0.005 0.000 0.843 90 E CB 0.405 30.113 29.700 0.013 0.000 0.807 90 E HN 0.757 nan 8.360 nan 0.000 0.467 91 T N -1.957 112.624 114.554 0.044 0.000 2.645 91 T HA 0.209 4.560 4.350 0.001 0.000 0.273 91 T C 0.769 175.524 174.700 0.092 0.000 0.960 91 T CA -0.716 61.414 62.100 0.050 0.000 1.051 91 T CB 1.347 70.235 68.868 0.034 0.000 1.366 91 T HN -0.028 nan 8.240 nan 0.000 0.536 92 K N 0.001 120.457 120.400 0.094 0.000 2.296 92 K HA 0.101 4.422 4.320 0.001 0.000 0.200 92 K C 1.267 178.009 176.600 0.236 0.000 1.048 92 K CA 1.121 57.497 56.287 0.148 0.000 0.966 92 K CB -0.066 32.500 32.500 0.110 0.000 0.754 92 K HN 0.623 nan 8.250 nan 0.000 0.466 93 E N 0.448 120.719 120.200 0.118 0.000 2.431 93 E HA 0.108 4.459 4.350 0.001 0.000 0.200 93 E C 0.040 176.649 176.600 0.015 0.000 0.995 93 E CA -0.078 56.315 56.400 -0.011 0.000 0.915 93 E CB 0.647 30.263 29.700 -0.140 0.000 0.930 93 E HN 0.106 nan 8.360 nan 0.000 0.496 94 R N 1.206 121.770 120.500 0.106 0.000 2.437 94 R HA 0.423 4.763 4.340 0.001 0.000 0.310 94 R C -1.001 175.390 176.300 0.151 0.000 0.955 94 R CA -0.520 55.634 56.100 0.089 0.000 0.851 94 R CB 0.981 31.290 30.300 0.014 0.000 1.161 94 R HN -0.115 nan 8.270 nan 0.000 0.446 95 R N 5.244 125.852 120.500 0.180 0.000 2.740 95 R HA 0.528 4.869 4.340 0.001 0.000 0.282 95 R C -0.686 175.615 176.300 0.002 0.000 0.969 95 R CA -0.720 55.424 56.100 0.073 0.000 0.918 95 R CB 1.247 31.581 30.300 0.057 0.000 1.175 95 R HN 0.700 nan 8.270 nan 0.000 0.464 96 I N -0.430 120.107 120.570 -0.055 0.000 2.892 96 I HA 0.712 4.883 4.170 0.001 0.000 0.306 96 I C -1.024 175.090 176.117 -0.005 0.000 1.078 96 I CA -0.735 60.558 61.300 -0.011 0.000 1.032 96 I CB 2.449 40.466 38.000 0.028 0.000 1.229 96 I HN 0.746 nan 8.210 nan 0.000 0.435 97 S N 3.118 118.865 115.700 0.077 0.000 2.579 97 S HA 0.799 5.269 4.470 0.001 0.000 0.272 97 S C -1.382 173.256 174.600 0.064 0.000 1.141 97 S CA -0.723 57.549 58.200 0.121 0.000 0.843 97 S CB 2.079 65.402 63.200 0.205 0.000 1.122 97 S HN 0.913 nan 8.310 nan 0.000 0.468 98 V N 0.816 120.689 119.914 -0.068 0.000 2.777 98 V HA 0.882 5.003 4.120 0.001 0.000 0.306 98 V C 0.043 175.813 176.094 -0.540 0.000 1.112 98 V CA 0.793 62.893 62.300 -0.333 0.000 0.917 98 V CB 1.394 33.140 31.823 -0.129 0.000 1.018 98 V HN 1.693 nan 8.190 nan 0.000 0.426 99 G N 4.883 113.019 108.800 -1.106 0.000 2.561 99 G HA2 0.764 4.725 3.960 0.001 0.000 0.310 99 G HA3 0.764 4.725 3.960 0.001 0.000 0.310 99 G C -1.381 173.289 174.900 -0.384 0.000 1.292 99 G CA 0.104 44.828 45.100 -0.626 0.000 0.811 99 G HN 1.093 nan 8.290 nan 0.000 0.482 100 E N -1.787 118.386 120.200 -0.044 0.000 2.423 100 E HA 0.690 5.041 4.350 0.001 0.000 0.280 100 E C -0.358 176.074 176.600 -0.281 0.000 1.030 100 E CA -0.603 55.735 56.400 -0.103 0.000 0.812 100 E CB 1.617 31.226 29.700 -0.152 0.000 1.313 100 E HN 1.717 nan 8.360 nan 0.000 0.456 101 G N 0.300 108.539 108.800 -0.934 0.000 2.428 101 G HA2 0.509 4.470 3.960 0.001 0.000 0.305 101 G HA3 0.509 4.470 3.960 0.001 0.000 0.305 101 G C -1.706 172.592 174.900 -1.004 0.000 1.260 101 G CA -0.498 44.081 45.100 -0.869 0.000 0.853 101 G HN 0.514 nan 8.290 nan 0.000 0.480 102 M N 0.008 119.374 119.600 -0.391 0.000 2.471 102 M HA 0.585 5.066 4.480 0.001 0.000 0.284 102 M C -1.844 174.510 176.300 0.090 0.000 1.203 102 M CA -0.639 54.591 55.300 -0.117 0.000 0.915 102 M CB 2.210 34.744 32.600 -0.110 0.000 1.734 102 M HN 0.517 nan 8.290 nan 0.000 0.485 103 V N 2.009 121.918 119.914 -0.009 0.000 2.735 103 V HA 0.816 4.936 4.120 0.001 0.000 0.310 103 V C -0.576 175.499 176.094 -0.032 0.000 1.061 103 V CA -0.614 61.678 62.300 -0.014 0.000 0.913 103 V CB 1.783 33.552 31.823 -0.089 0.000 1.005 103 V HN 0.864 nan 8.190 nan 0.000 0.428 104 S N 3.255 118.978 115.700 0.038 0.000 2.572 104 S HA 0.814 5.285 4.470 0.001 0.000 0.274 104 S C -1.508 173.160 174.600 0.113 0.000 1.150 104 S CA -0.502 57.733 58.200 0.057 0.000 0.944 104 S CB 1.981 65.187 63.200 0.010 0.000 1.071 104 S HN 0.590 nan 8.310 nan 0.000 0.479 105 V N 4.291 124.315 119.914 0.184 0.000 2.524 105 V HA 0.748 4.869 4.120 0.001 0.000 0.297 105 V C 1.277 177.467 176.094 0.160 0.000 1.035 105 V CA 0.369 62.764 62.300 0.159 0.000 0.867 105 V CB 0.575 32.496 31.823 0.164 0.000 1.004 105 V HN 1.664 nan 8.190 nan 0.000 0.426 106 G N 5.421 114.284 108.800 0.104 0.000 2.651 106 G HA2 -0.360 3.601 3.960 0.001 0.000 0.315 106 G HA3 -0.360 3.601 3.960 0.001 0.000 0.315 106 G C 0.575 175.536 174.900 0.103 0.000 1.258 106 G CA 0.957 46.111 45.100 0.091 0.000 1.002 106 G HN 1.090 nan 8.290 nan 0.000 0.551 107 D N 0.178 120.648 120.400 0.116 0.000 2.363 107 D HA 0.319 4.959 4.640 0.001 0.000 0.226 107 D C 0.643 177.037 176.300 0.157 0.000 1.020 107 D CA 0.473 54.539 54.000 0.110 0.000 0.892 107 D CB -0.032 40.826 40.800 0.096 0.000 0.900 107 D HN 0.385 nan 8.370 nan 0.000 0.531 108 F N 1.394 121.369 119.950 0.042 0.000 2.458 108 F HA 0.561 5.088 4.527 0.001 0.000 0.330 108 F C -0.349 175.489 175.800 0.062 0.000 1.082 108 F CA -0.647 57.387 58.000 0.057 0.000 0.995 108 F CB 1.714 40.754 39.000 0.067 0.000 1.170 108 F HN -0.023 nan 8.300 nan 0.000 0.478 109 S N 3.254 118.326 115.700 -1.047 0.000 2.565 109 S HA 0.696 5.166 4.470 0.001 0.000 0.269 109 S C -1.658 172.503 174.600 -0.732 0.000 1.153 109 S CA -0.677 57.123 58.200 -0.666 0.000 0.835 109 S CB 1.878 64.921 63.200 -0.263 0.000 1.122 109 S HN 1.209 nan 8.310 nan 0.000 0.462 110 H N -1.442 117.431 119.070 -0.328 0.000 3.064 110 H HA 0.782 5.339 4.556 0.001 0.000 0.352 110 H C -0.554 174.794 175.328 0.034 0.000 1.260 110 H CA -0.198 55.770 56.048 -0.134 0.000 1.160 110 H CB 1.055 30.811 29.762 -0.009 0.000 1.879 110 H HN 0.963 nan 8.280 nan 0.000 0.544 111 T N -0.105 114.593 114.554 0.241 0.000 2.919 111 T HA 0.756 5.106 4.350 0.001 0.000 0.282 111 T C -0.622 174.301 174.700 0.373 0.000 1.020 111 T CA -0.454 61.718 62.100 0.121 0.000 0.994 111 T CB 1.392 70.251 68.868 -0.016 0.000 1.180 111 T HN 0.846 nan 8.240 nan 0.000 0.566 112 F N -1.735 118.314 119.950 0.166 0.000 2.719 112 F HA 0.757 5.285 4.527 0.001 0.000 0.309 112 F C -0.896 175.018 175.800 0.190 0.000 1.138 112 F CA -1.038 57.081 58.000 0.198 0.000 0.943 112 F CB 1.128 40.282 39.000 0.257 0.000 1.304 112 F HN 0.930 nan 8.300 nan 0.000 0.445 113 S N 1.532 117.475 115.700 0.404 0.000 2.595 113 S HA 0.948 5.419 4.470 0.001 0.000 0.281 113 S C -1.311 173.557 174.600 0.446 0.000 1.117 113 S CA -0.613 57.761 58.200 0.289 0.000 0.873 113 S CB 2.412 65.661 63.200 0.081 0.000 1.108 113 S HN 1.677 nan 8.310 nan 0.000 0.477 114 F N -1.142 118.932 119.950 0.207 0.000 2.713 114 F HA 0.858 5.386 4.527 0.001 0.000 0.311 114 F C -1.477 174.397 175.800 0.124 0.000 1.141 114 F CA -0.873 57.234 58.000 0.179 0.000 0.939 114 F CB 1.206 40.337 39.000 0.218 0.000 1.325 114 F HN 0.883 nan 8.300 nan 0.000 0.453 115 E N 1.223 121.566 120.200 0.238 0.000 2.308 115 E HA 0.731 5.082 4.350 0.001 0.000 0.275 115 E C -1.419 175.335 176.600 0.257 0.000 0.890 115 E CA -1.196 55.282 56.400 0.131 0.000 0.754 115 E CB 2.184 31.904 29.700 0.033 0.000 1.207 115 E HN 1.295 nan 8.360 nan 0.000 0.426 116 G N 0.761 109.704 108.800 0.239 0.000 2.677 116 G HA2 0.558 4.519 3.960 0.001 0.000 0.291 116 G HA3 0.558 4.519 3.960 0.001 0.000 0.291 116 G C -1.203 173.731 174.900 0.057 0.000 1.435 116 G CA -0.518 44.660 45.100 0.130 0.000 0.826 116 G HN 0.735 nan 8.290 nan 0.000 0.491 117 S N -1.226 114.462 115.700 -0.018 0.000 2.568 117 S HA 0.831 5.302 4.470 0.001 0.000 0.293 117 S C -1.071 173.446 174.600 -0.138 0.000 1.089 117 S CA -0.805 57.369 58.200 -0.044 0.000 0.945 117 S CB 2.150 65.335 63.200 -0.026 0.000 1.077 117 S HN 0.944 nan 8.310 nan 0.000 0.485 118 V N 1.938 121.773 119.914 -0.132 0.000 2.588 118 V HA 0.572 4.693 4.120 0.001 0.000 0.304 118 V C -0.873 175.120 176.094 -0.168 0.000 1.042 118 V CA -0.658 61.493 62.300 -0.249 0.000 0.877 118 V CB 1.862 33.497 31.823 -0.313 0.000 0.996 118 V HN 0.866 nan 8.190 nan 0.000 0.425 119 V N 3.933 123.712 119.914 -0.225 0.000 2.409 119 V HA 0.441 4.561 4.120 0.001 0.000 0.291 119 V C -0.240 175.584 176.094 -0.449 0.000 1.020 119 V CA -0.671 61.472 62.300 -0.262 0.000 0.848 119 V CB 1.753 33.492 31.823 -0.140 0.000 0.990 119 V HN 0.909 nan 8.190 nan 0.000 0.430 120 N N 4.609 122.789 118.700 -0.866 0.000 2.425 120 N HA 0.655 5.395 4.740 0.001 0.000 0.268 120 N C -1.247 173.777 175.510 -0.810 0.000 0.991 120 N CA -0.296 52.089 53.050 -1.108 0.000 0.931 120 N CB 0.962 38.154 38.487 -2.159 0.000 1.130 120 N HN 0.628 nan 8.380 nan 0.000 0.493 121 L N 3.286 124.128 121.223 -0.634 0.000 2.385 121 L HA 0.544 4.884 4.340 0.001 0.000 0.273 121 L C -0.836 175.673 176.870 -0.600 0.000 0.990 121 L CA -0.925 53.607 54.840 -0.513 0.000 0.821 121 L CB 1.190 43.123 42.059 -0.211 0.000 1.279 121 L HN 0.393 nan 8.230 nan 0.000 0.412 122 F N 1.210 121.011 119.950 -0.247 0.000 2.384 122 F HA 0.241 4.769 4.527 0.001 0.000 0.338 122 F C 0.844 176.553 175.800 -0.152 0.000 1.103 122 F CA -0.313 57.542 58.000 -0.241 0.000 1.157 122 F CB 0.509 39.384 39.000 -0.207 0.000 1.167 122 F HN 0.321 nan 8.300 nan 0.000 0.529 123 Y N 1.000 121.434 120.300 0.223 0.000 2.352 123 Y HA -0.092 4.459 4.550 0.001 0.000 0.292 123 Y C 0.112 176.159 175.900 0.245 0.000 1.136 123 Y CA 0.735 58.953 58.100 0.197 0.000 1.227 123 Y CB -0.729 37.850 38.460 0.198 0.000 0.991 123 Y HN 0.488 nan 8.280 nan 0.000 0.545 124 Y N -2.742 117.703 120.300 0.242 0.000 2.609 124 Y HA 0.814 5.365 4.550 0.001 0.000 0.336 124 Y C -0.707 175.259 175.900 0.111 0.000 1.129 124 Y CA -2.217 55.971 58.100 0.146 0.000 1.040 124 Y CB 0.696 39.221 38.460 0.108 0.000 1.310 124 Y HN -0.256 nan 8.280 nan 0.000 0.460 125 R N 1.204 121.694 120.500 -0.017 0.000 2.514 125 R HA 0.802 5.143 4.340 0.001 0.000 0.296 125 R C -1.624 174.725 176.300 0.080 0.000 1.012 125 R CA -0.406 55.609 56.100 -0.142 0.000 0.897 125 R CB 1.109 31.387 30.300 -0.037 0.000 1.184 125 R HN 1.168 nan 8.270 nan 0.000 0.440 126 S N 0.151 115.914 115.700 0.105 0.000 2.571 126 S HA 0.314 4.784 4.470 0.001 0.000 0.284 126 S C -0.113 174.544 174.600 0.094 0.000 1.128 126 S CA -0.268 58.037 58.200 0.174 0.000 0.970 126 S CB 1.913 65.293 63.200 0.300 0.000 1.039 126 S HN 0.733 nan 8.310 nan 0.000 0.485 127 D N 4.031 124.469 120.400 0.064 0.000 2.224 127 D HA 0.090 4.731 4.640 0.001 0.000 0.205 127 D C 1.886 178.211 176.300 0.041 0.000 0.965 127 D CA 1.455 55.478 54.000 0.040 0.000 0.852 127 D CB 0.079 40.897 40.800 0.029 0.000 0.947 127 D HN 0.616 nan 8.370 nan 0.000 0.494 128 A N -0.355 122.496 122.820 0.053 0.000 1.933 128 A HA -0.094 4.227 4.320 0.001 0.000 0.218 128 A C 2.361 179.973 177.584 0.046 0.000 1.175 128 A CA 1.317 53.379 52.037 0.042 0.000 0.628 128 A CB -0.551 18.472 19.000 0.038 0.000 0.814 128 A HN 0.213 nan 8.150 nan 0.000 0.444 129 V N -0.788 119.172 119.914 0.077 0.000 2.346 129 V HA -0.158 3.962 4.120 0.001 0.000 0.244 129 V C 2.735 178.857 176.094 0.046 0.000 1.037 129 V CA 1.815 64.164 62.300 0.082 0.000 1.029 129 V CB -0.869 31.058 31.823 0.174 0.000 0.663 129 V HN 0.614 nan 8.190 nan 0.000 0.454 130 R N 0.921 121.443 120.500 0.036 0.000 2.113 130 R HA -0.207 4.133 4.340 0.001 0.000 0.244 130 R C 2.423 178.725 176.300 0.003 0.000 1.142 130 R CA 2.356 58.459 56.100 0.006 0.000 0.953 130 R CB -0.836 29.462 30.300 -0.003 0.000 0.860 130 R HN 0.844 nan 8.270 nan 0.000 0.438 131 R N -0.803 119.702 120.500 0.008 0.000 2.276 131 R HA 0.236 4.576 4.340 0.001 0.000 0.196 131 R C 1.540 177.841 176.300 0.001 0.000 0.961 131 R CA 1.144 57.245 56.100 0.003 0.000 1.024 131 R CB -0.152 30.151 30.300 0.004 0.000 0.940 131 R HN 0.290 nan 8.270 nan 0.000 0.480 132 N N 0.583 119.287 118.700 0.006 0.000 2.322 132 N HA 0.081 4.822 4.740 0.001 0.000 0.181 132 N C -0.583 174.926 175.510 -0.001 0.000 1.088 132 N CA 0.329 53.381 53.050 0.003 0.000 0.885 132 N CB 1.244 39.736 38.487 0.008 0.000 1.013 132 N HN -0.042 nan 8.380 nan 0.000 0.472 133 V N 3.651 123.565 119.914 -0.000 0.000 2.326 133 V HA 0.226 4.347 4.120 0.001 0.000 0.281 133 V C -1.455 174.629 176.094 -0.017 0.000 1.015 133 V CA -1.099 61.197 62.300 -0.007 0.000 0.823 133 V CB 2.066 33.891 31.823 0.002 0.000 1.009 133 V HN -0.014 nan 8.190 nan 0.000 0.436 134 P HA -0.014 nan 4.420 nan 0.000 0.219 134 P C 0.456 177.736 177.300 -0.033 0.000 1.150 134 P CA 0.915 63.998 63.100 -0.030 0.000 0.814 134 P CB 0.357 32.036 31.700 -0.036 0.000 0.787 135 N N 0.040 118.719 118.700 -0.035 0.000 2.750 135 N HA 0.209 4.950 4.740 0.001 0.000 0.253 135 N C -2.754 172.728 175.510 -0.046 0.000 1.408 135 N CA -2.065 50.962 53.050 -0.038 0.000 0.780 135 N CB 0.414 38.879 38.487 -0.036 0.000 1.191 135 N HN -0.067 nan 8.380 nan 0.000 0.511 136 P HA 0.177 nan 4.420 nan 0.000 0.271 136 P C 0.432 177.689 177.300 -0.072 0.000 1.216 136 P CA -0.314 62.755 63.100 -0.053 0.000 0.771 136 P CB 1.552 33.225 31.700 -0.045 0.000 0.864 137 I N 1.103 121.601 120.570 -0.120 0.000 3.341 137 I HA 0.048 4.219 4.170 0.001 0.000 0.243 137 I C 0.661 176.736 176.117 -0.069 0.000 1.094 137 I CA 0.472 61.671 61.300 -0.169 0.000 1.507 137 I CB -1.204 36.570 38.000 -0.378 0.000 1.441 137 I HN 0.165 nan 8.210 nan 0.000 0.465 138 Y N 2.575 122.896 120.300 0.036 0.000 2.402 138 Y HA 0.355 4.906 4.550 0.001 0.000 0.333 138 Y C 0.418 176.342 175.900 0.040 0.000 1.076 138 Y CA -0.150 57.979 58.100 0.047 0.000 1.299 138 Y CB 0.221 38.716 38.460 0.058 0.000 1.197 138 Y HN 0.040 nan 8.280 nan 0.000 0.517 139 M N 3.635 123.353 119.600 0.197 0.000 2.090 139 M HA 0.242 4.723 4.480 0.001 0.000 0.277 139 M C -1.104 175.302 176.300 0.177 0.000 0.935 139 M CA -1.211 54.130 55.300 0.069 0.000 0.966 139 M CB 1.697 34.162 32.600 -0.225 0.000 1.635 139 M HN 0.683 nan 8.290 nan 0.000 0.446 140 Q N 1.103 121.056 119.800 0.254 0.000 2.327 140 Q HA 0.773 5.114 4.340 0.001 0.000 0.254 140 Q C 0.677 176.837 176.000 0.266 0.000 0.952 140 Q CA 0.039 56.025 55.803 0.305 0.000 0.884 140 Q CB 1.223 30.209 28.738 0.414 0.000 1.224 140 Q HN 0.875 nan 8.270 nan 0.000 0.422 141 G N 0.553 109.348 108.800 -0.009 0.000 2.489 141 G HA2 0.625 4.586 3.960 0.001 0.000 0.305 141 G HA3 0.625 4.586 3.960 0.001 0.000 0.305 141 G C -1.734 172.750 174.900 -0.692 0.000 1.311 141 G CA -0.902 43.870 45.100 -0.547 0.000 0.813 141 G HN 0.485 nan 8.290 nan 0.000 0.480 142 R N -0.407 119.642 120.500 -0.751 0.000 2.698 142 R HA 0.625 4.966 4.340 0.001 0.000 0.275 142 R C -1.390 174.503 176.300 -0.677 0.000 1.001 142 R CA -0.602 55.113 56.100 -0.642 0.000 0.896 142 R CB 2.187 32.175 30.300 -0.520 0.000 1.218 142 R HN 0.543 nan 8.270 nan 0.000 0.462 143 Q N 3.090 122.424 119.800 -0.776 0.000 2.340 143 Q HA 0.405 4.745 4.340 0.001 0.000 0.268 143 Q C -1.639 173.980 176.000 -0.635 0.000 1.031 143 Q CA -0.629 54.810 55.803 -0.607 0.000 0.804 143 Q CB 1.488 29.982 28.738 -0.406 0.000 1.286 143 Q HN 0.460 nan 8.270 nan 0.000 0.448 144 F N 1.924 121.733 119.950 -0.235 0.000 2.444 144 F HA 0.377 4.904 4.527 0.001 0.000 0.342 144 F C -0.242 175.408 175.800 -0.250 0.000 1.121 144 F CA -0.698 57.185 58.000 -0.195 0.000 0.997 144 F CB 1.244 40.140 39.000 -0.174 0.000 1.130 144 F HN 0.533 nan 8.300 nan 0.000 0.454 145 H N 1.025 119.869 119.070 -0.377 0.000 2.457 145 H HA 0.387 4.944 4.556 0.001 0.000 0.335 145 H C -1.128 174.018 175.328 -0.304 0.000 1.115 145 H CA -0.708 55.074 56.048 -0.443 0.000 1.219 145 H CB 1.530 30.744 29.762 -0.914 0.000 1.471 145 H HN 0.397 nan 8.280 nan 0.000 0.491 146 D N 3.176 123.492 120.400 -0.139 0.000 2.542 146 D HA 0.311 4.952 4.640 0.001 0.000 0.252 146 D C -1.050 175.166 176.300 -0.140 0.000 1.222 146 D CA -0.404 53.529 54.000 -0.112 0.000 0.895 146 D CB 0.589 41.359 40.800 -0.051 0.000 1.207 146 D HN 0.411 nan 8.370 nan 0.000 0.558 147 I N 3.023 123.437 120.570 -0.259 0.000 2.509 147 I HA 0.407 4.578 4.170 0.001 0.000 0.293 147 I C -0.894 175.185 176.117 -0.062 0.000 1.020 147 I CA -1.126 60.035 61.300 -0.232 0.000 1.088 147 I CB 2.275 39.935 38.000 -0.567 0.000 1.267 147 I HN 0.277 nan 8.210 nan 0.000 0.430 148 L N 8.204 129.485 121.223 0.098 0.000 2.343 148 L HA 0.703 5.044 4.340 0.001 0.000 0.278 148 L C -0.707 176.318 176.870 0.258 0.000 0.996 148 L CA -0.268 54.677 54.840 0.175 0.000 0.831 148 L CB 1.167 43.309 42.059 0.138 0.000 1.232 148 L HN 0.644 nan 8.230 nan 0.000 0.413 149 M N 3.129 122.910 119.600 0.300 0.000 2.530 149 M HA 0.679 5.160 4.480 0.001 0.000 0.307 149 M C -1.533 174.916 176.300 0.249 0.000 1.161 149 M CA -0.757 54.739 55.300 0.327 0.000 0.903 149 M CB 2.393 35.206 32.600 0.354 0.000 1.711 149 M HN 0.422 nan 8.290 nan 0.000 0.451 150 K N 1.819 122.361 120.400 0.236 0.000 2.443 150 K HA 0.772 5.093 4.320 0.001 0.000 0.252 150 K C -1.654 175.034 176.600 0.147 0.000 0.933 150 K CA -0.918 55.450 56.287 0.135 0.000 0.792 150 K CB 3.214 35.772 32.500 0.095 0.000 1.185 150 K HN 0.586 nan 8.250 nan 0.000 0.425 151 V N 3.468 123.404 119.914 0.036 0.000 2.525 151 V HA 0.297 4.418 4.120 0.001 0.000 0.299 151 V C -2.532 173.514 176.094 -0.080 0.000 1.034 151 V CA -2.172 60.151 62.300 0.038 0.000 0.863 151 V CB 1.832 33.653 31.823 -0.003 0.000 0.999 151 V HN 0.628 nan 8.190 nan 0.000 0.423 152 P HA 0.232 nan 4.420 nan 0.000 0.271 152 P C -0.209 177.032 177.300 -0.099 0.000 1.226 152 P CA -0.001 63.055 63.100 -0.073 0.000 0.765 152 P CB 0.415 32.096 31.700 -0.031 0.000 0.835 153 L N 3.720 124.852 121.223 -0.152 0.000 2.480 153 L HA 0.120 4.461 4.340 0.001 0.000 0.243 153 L C 0.572 177.403 176.870 -0.065 0.000 1.315 153 L CA 0.066 54.824 54.840 -0.137 0.000 1.231 153 L CB -0.674 41.253 42.059 -0.220 0.000 1.444 153 L HN 0.369 nan 8.230 nan 0.000 0.409 154 D N -0.413 119.965 120.400 -0.037 0.000 2.427 154 D HA 0.077 4.718 4.640 0.001 0.000 0.224 154 D C 0.032 176.333 176.300 0.002 0.000 1.157 154 D CA -0.260 53.728 54.000 -0.020 0.000 0.828 154 D CB -0.009 40.776 40.800 -0.026 0.000 0.974 154 D HN 0.510 nan 8.370 nan 0.000 0.498 155 N N -1.605 117.113 118.700 0.030 0.000 2.823 155 N HA 0.154 4.895 4.740 0.001 0.000 0.251 155 N C -0.092 175.473 175.510 0.091 0.000 1.392 155 N CA -0.808 52.282 53.050 0.067 0.000 0.864 155 N CB 0.451 38.991 38.487 0.089 0.000 1.481 155 N HN -0.304 nan 8.380 nan 0.000 0.508 156 N N -0.003 118.753 118.700 0.093 0.000 2.223 156 N HA -0.113 4.628 4.740 0.001 0.000 0.185 156 N C -0.025 175.542 175.510 0.095 0.000 1.016 156 N CA 1.071 54.169 53.050 0.080 0.000 0.863 156 N CB -0.217 38.308 38.487 0.063 0.000 0.983 156 N HN 0.591 nan 8.380 nan 0.000 0.429 157 D N 1.170 121.656 120.400 0.143 0.000 2.117 157 D HA -0.071 4.570 4.640 0.001 0.000 0.197 157 D C 2.222 178.591 176.300 0.116 0.000 0.987 157 D CA 0.499 54.565 54.000 0.109 0.000 0.829 157 D CB -0.161 40.701 40.800 0.103 0.000 0.961 157 D HN 0.240 nan 8.370 nan 0.000 0.460 158 L N 0.543 121.877 121.223 0.185 0.000 2.046 158 L HA -0.151 4.190 4.340 0.001 0.000 0.208 158 L C 2.596 179.526 176.870 0.101 0.000 1.077 158 L CA 0.734 55.644 54.840 0.118 0.000 0.747 158 L CB -0.311 41.789 42.059 0.069 0.000 0.896 158 L HN -0.014 nan 8.230 nan 0.000 0.432 159 I N -0.297 120.328 120.570 0.091 0.000 2.179 159 I HA -0.306 3.865 4.170 0.001 0.000 0.242 159 I C 2.169 178.370 176.117 0.140 0.000 1.088 159 I CA 1.251 62.621 61.300 0.116 0.000 1.357 159 I CB -0.398 37.649 38.000 0.077 0.000 1.051 159 I HN 0.259 nan 8.210 nan 0.000 0.409 160 D N 0.400 120.853 120.400 0.088 0.000 2.104 160 D HA -0.165 4.475 4.640 0.001 0.000 0.194 160 D C 2.245 178.577 176.300 0.052 0.000 0.994 160 D CA 1.841 55.874 54.000 0.056 0.000 0.830 160 D CB -0.497 40.320 40.800 0.028 0.000 0.959 160 D HN 0.277 nan 8.370 nan 0.000 0.452 161 T N 0.346 114.937 114.554 0.061 0.000 2.746 161 T HA -0.162 4.189 4.350 0.001 0.000 0.267 161 T C 1.649 176.402 174.700 0.089 0.000 1.039 161 T CA 0.839 62.964 62.100 0.042 0.000 1.142 161 T CB -0.336 68.550 68.868 0.031 0.000 0.866 161 T HN 0.377 nan 8.240 nan 0.000 0.444 162 W N 2.017 123.279 121.300 -0.064 0.000 2.335 162 W HA -0.161 4.499 4.660 0.001 0.000 0.311 162 W C 1.915 178.392 176.519 -0.071 0.000 1.213 162 W CA 1.376 58.680 57.345 -0.069 0.000 1.274 162 W CB -0.134 29.296 29.460 -0.050 0.000 1.148 162 W HN 0.382 nan 8.180 nan 0.000 0.498 163 E N -0.370 119.857 120.200 0.045 0.000 2.106 163 E HA -0.139 4.212 4.350 0.001 0.000 0.192 163 E C 2.419 178.923 176.600 -0.160 0.000 0.984 163 E CA 1.266 57.603 56.400 -0.105 0.000 0.806 163 E CB -0.750 28.955 29.700 0.008 0.000 0.750 163 E HN 0.357 nan 8.360 nan 0.000 0.458 164 G N 0.346 109.083 108.800 -0.105 0.000 2.422 164 G HA2 -0.247 3.713 3.960 0.001 0.000 0.218 164 G HA3 -0.247 3.713 3.960 0.001 0.000 0.218 164 G C 1.611 176.407 174.900 -0.174 0.000 1.146 164 G CA 1.233 46.266 45.100 -0.112 0.000 0.769 164 G HN 0.184 nan 8.290 nan 0.000 0.547 165 T N 0.741 115.157 114.554 -0.230 0.000 2.770 165 T HA -0.072 4.278 4.350 0.001 0.000 0.263 165 T C 2.562 176.980 174.700 -0.470 0.000 1.039 165 T CA 1.098 63.016 62.100 -0.304 0.000 1.142 165 T CB -0.219 68.480 68.868 -0.282 0.000 0.868 165 T HN 0.052 nan 8.240 nan 0.000 0.435 166 V N 1.820 121.392 119.914 -0.569 0.000 2.407 166 V HA -0.162 3.959 4.120 0.001 0.000 0.248 166 V C 3.006 178.869 176.094 -0.385 0.000 1.055 166 V CA 2.216 64.172 62.300 -0.572 0.000 1.049 166 V CB -1.105 30.316 31.823 -0.670 0.000 0.662 166 V HN 0.633 nan 8.190 nan 0.000 0.455 167 K N 0.213 120.437 120.400 -0.293 0.000 2.025 167 K HA -0.049 4.272 4.320 0.001 0.000 0.207 167 K C 2.280 178.761 176.600 -0.199 0.000 1.049 167 K CA 1.795 57.961 56.287 -0.201 0.000 0.933 167 K CB -1.220 31.197 32.500 -0.138 0.000 0.714 167 K HN 0.577 nan 8.250 nan 0.000 0.438 168 A N 0.899 123.591 122.820 -0.213 0.000 1.877 168 A HA -0.009 4.311 4.320 0.001 0.000 0.216 168 A C 2.468 179.870 177.584 -0.304 0.000 1.186 168 A CA 1.636 53.581 52.037 -0.153 0.000 0.620 168 A CB -0.398 18.596 19.000 -0.010 0.000 0.822 168 A HN 0.495 nan 8.150 nan 0.000 0.443 169 I N -0.281 119.901 120.570 -0.648 0.000 2.208 169 I HA -0.231 3.940 4.170 0.001 0.000 0.245 169 I C 2.523 178.413 176.117 -0.379 0.000 1.097 169 I CA 1.340 62.167 61.300 -0.787 0.000 1.363 169 I CB -0.374 37.095 38.000 -0.885 0.000 1.051 169 I HN 0.410 nan 8.210 nan 0.000 0.413 170 G N -0.846 107.779 108.800 -0.292 0.000 2.712 170 G HA2 -0.143 3.818 3.960 0.001 0.000 0.212 170 G HA3 -0.143 3.818 3.960 0.001 0.000 0.212 170 G C 1.647 176.468 174.900 -0.132 0.000 1.142 170 G CA 0.861 45.848 45.100 -0.188 0.000 0.789 170 G HN 0.493 nan 8.290 nan 0.000 0.535 171 S N -0.723 114.903 115.700 -0.123 0.000 2.514 171 S HA 0.136 4.607 4.470 0.001 0.000 0.223 171 S C 0.781 175.350 174.600 -0.052 0.000 1.046 171 S CA 0.297 58.453 58.200 -0.073 0.000 0.914 171 S CB 0.311 63.478 63.200 -0.055 0.000 0.807 171 S HN 0.008 nan 8.310 nan 0.000 0.497 172 T N 1.733 116.255 114.554 -0.053 0.000 2.756 172 T HA 0.585 4.936 4.350 0.001 0.000 0.290 172 T C 1.177 175.818 174.700 -0.097 0.000 0.985 172 T CA -0.260 61.811 62.100 -0.048 0.000 0.955 172 T CB 1.340 70.232 68.868 0.041 0.000 0.930 172 T HN 0.318 nan 8.240 nan 0.000 0.451 173 G N 1.855 110.570 108.800 -0.143 0.000 2.448 173 G HA2 0.043 4.003 3.960 0.001 0.000 0.218 173 G HA3 0.043 4.003 3.960 0.001 0.000 0.218 173 G C 1.339 176.100 174.900 -0.232 0.000 1.135 173 G CA 0.414 45.427 45.100 -0.146 0.000 0.784 173 G HN 0.787 nan 8.290 nan 0.000 0.543 174 A N -0.043 122.486 122.820 -0.485 0.000 2.251 174 A HA 0.389 4.710 4.320 0.001 0.000 0.209 174 A C 1.677 178.871 177.584 -0.650 0.000 1.187 174 A CA 0.046 51.584 52.037 -0.830 0.000 0.823 174 A CB -0.429 17.473 19.000 -1.830 0.000 0.846 174 A HN 0.326 nan 8.150 nan 0.000 0.486 175 F N 1.790 121.498 119.950 -0.404 0.000 2.087 175 F HA -0.291 4.237 4.527 0.001 0.000 0.299 175 F C 1.757 177.500 175.800 -0.095 0.000 1.100 175 F CA 2.314 60.205 58.000 -0.183 0.000 1.226 175 F CB -0.110 38.805 39.000 -0.142 0.000 0.983 175 F HN 0.284 nan 8.300 nan 0.000 0.479 176 N N 0.261 118.992 118.700 0.052 0.000 2.453 176 N HA -0.148 4.593 4.740 0.001 0.000 0.183 176 N C 1.419 176.935 175.510 0.009 0.000 1.041 176 N CA 1.310 54.397 53.050 0.061 0.000 0.900 176 N CB -0.498 38.062 38.487 0.123 0.000 0.961 176 N HN 0.508 nan 8.380 nan 0.000 0.443 177 D N -0.548 119.812 120.400 -0.066 0.000 2.355 177 D HA -0.057 4.584 4.640 0.001 0.000 0.233 177 D C 1.426 177.822 176.300 0.160 0.000 0.997 177 D CA 0.548 54.560 54.000 0.020 0.000 0.920 177 D CB -0.282 40.479 40.800 -0.065 0.000 1.063 177 D HN 0.015 nan 8.370 nan 0.000 0.465 178 W N 1.007 122.286 121.300 -0.036 0.000 2.387 178 W HA -0.060 4.601 4.660 0.001 0.000 0.272 178 W C 2.151 178.615 176.519 -0.092 0.000 1.224 178 W CA -0.038 57.277 57.345 -0.050 0.000 1.210 178 W CB -1.265 28.157 29.460 -0.063 0.000 1.125 178 W HN 0.138 nan 8.180 nan 0.000 0.572 179 I N 1.144 121.682 120.570 -0.054 0.000 2.423 179 I HA -0.266 3.904 4.170 0.001 0.000 0.254 179 I C 2.345 178.582 176.117 0.199 0.000 1.151 179 I CA 1.469 62.675 61.300 -0.156 0.000 1.421 179 I CB -0.319 37.356 38.000 -0.542 0.000 1.079 179 I HN -0.122 nan 8.210 nan 0.000 0.431 180 R N 0.233 120.905 120.500 0.286 0.000 2.115 180 R HA -0.137 4.203 4.340 0.001 0.000 0.230 180 R C 1.686 178.243 176.300 0.428 0.000 1.111 180 R CA 1.491 57.836 56.100 0.408 0.000 0.976 180 R CB -0.436 30.067 30.300 0.338 0.000 0.870 180 R HN 0.414 nan 8.270 nan 0.000 0.445 181 D N 0.064 120.666 120.400 0.337 0.000 2.178 181 D HA -0.174 4.466 4.640 0.001 0.000 0.202 181 D C 1.456 177.879 176.300 0.205 0.000 0.974 181 D CA 0.967 55.111 54.000 0.240 0.000 0.841 181 D CB -0.186 40.659 40.800 0.075 0.000 0.953 181 D HN 0.166 nan 8.370 nan 0.000 0.478 182 F N 0.099 120.091 119.950 0.069 0.000 2.187 182 F HA -0.063 4.464 4.527 0.001 0.000 0.295 182 F C 2.076 177.895 175.800 0.033 0.000 1.091 182 F CA 0.669 58.678 58.000 0.014 0.000 1.308 182 F CB -0.137 38.835 39.000 -0.046 0.000 1.030 182 F HN -0.080 nan 8.300 nan 0.000 0.487 183 W N 1.260 122.381 121.300 -0.299 0.000 2.355 183 W HA -0.143 4.518 4.660 0.001 0.000 0.309 183 W C 0.339 176.390 176.519 -0.780 0.000 1.206 183 W CA 1.242 58.197 57.345 -0.651 0.000 1.284 183 W CB -1.147 27.872 29.460 -0.734 0.000 1.145 183 W HN -0.032 nan 8.180 nan 0.000 0.502 184 F N 1.382 121.344 119.950 0.019 0.000 2.560 184 F HA 0.222 4.750 4.527 0.001 0.000 0.338 184 F C 0.723 176.515 175.800 -0.013 0.000 1.201 184 F CA -0.894 57.055 58.000 -0.085 0.000 1.291 184 F CB -1.246 37.635 39.000 -0.197 0.000 1.627 184 F HN -0.358 nan 8.300 nan 0.000 0.588 185 I N 1.392 121.952 120.570 -0.016 0.000 2.919 185 I HA 0.149 4.320 4.170 0.001 0.000 0.303 185 I C 1.392 177.513 176.117 0.007 0.000 1.221 185 I CA 1.137 62.406 61.300 -0.051 0.000 1.444 185 I CB -0.018 37.896 38.000 -0.143 0.000 1.331 185 I HN 0.690 nan 8.210 nan 0.000 0.572 186 G N 7.146 115.940 108.800 -0.010 0.000 2.634 186 G HA2 -0.303 3.658 3.960 0.001 0.000 0.309 186 G HA3 -0.303 3.658 3.960 0.001 0.000 0.309 186 G C -1.500 173.418 174.900 0.030 0.000 1.265 186 G CA 0.256 45.351 45.100 -0.008 0.000 0.998 186 G HN 0.651 nan 8.290 nan 0.000 0.551 187 P HA 0.253 nan 4.420 nan 0.000 0.245 187 P C 1.561 178.867 177.300 0.009 0.000 1.212 187 P CA 1.670 64.783 63.100 0.021 0.000 0.774 187 P CB -0.192 31.506 31.700 -0.002 0.000 0.999 188 A N -0.183 122.656 122.820 0.033 0.000 1.933 188 A HA -0.171 4.150 4.320 0.001 0.000 0.218 188 A C 1.991 179.572 177.584 -0.005 0.000 1.175 188 A CA 0.945 52.991 52.037 0.016 0.000 0.628 188 A CB -1.693 17.372 19.000 0.108 0.000 0.814 188 A HN 0.150 nan 8.150 nan 0.000 0.444 189 F N 1.435 121.355 119.950 -0.050 0.000 2.065 189 F HA -0.224 4.303 4.527 0.001 0.000 0.298 189 F C 2.561 178.255 175.800 -0.178 0.000 1.112 189 F CA 2.520 60.454 58.000 -0.111 0.000 1.212 189 F CB -0.578 38.394 39.000 -0.048 0.000 0.975 189 F HN 0.229 nan 8.300 nan 0.000 0.476 190 T N 0.478 115.124 114.554 0.152 0.000 2.759 190 T HA -0.200 4.151 4.350 0.001 0.000 0.269 190 T C 2.137 176.757 174.700 -0.133 0.000 1.042 190 T CA 1.282 63.408 62.100 0.044 0.000 1.140 190 T CB -0.858 68.039 68.868 0.047 0.000 0.864 190 T HN 0.396 nan 8.240 nan 0.000 0.455 191 A N 1.196 123.888 122.820 -0.215 0.000 2.024 191 A HA -0.001 4.320 4.320 0.001 0.000 0.220 191 A C 2.258 179.665 177.584 -0.295 0.000 1.164 191 A CA 1.041 52.860 52.037 -0.363 0.000 0.643 191 A CB -0.851 17.752 19.000 -0.662 0.000 0.806 191 A HN 0.484 nan 8.150 nan 0.000 0.451 192 L N -0.641 120.367 121.223 -0.359 0.000 1.971 192 L HA -0.284 4.057 4.340 0.001 0.000 0.215 192 L C 2.572 179.305 176.870 -0.228 0.000 1.072 192 L CA 2.072 56.690 54.840 -0.371 0.000 0.758 192 L CB -0.725 40.938 42.059 -0.660 0.000 0.889 192 L HN 0.563 nan 8.230 nan 0.000 0.433 193 N N -0.110 118.451 118.700 -0.233 0.000 2.104 193 N HA -0.258 4.483 4.740 0.001 0.000 0.190 193 N C 1.757 177.220 175.510 -0.079 0.000 1.024 193 N CA 1.337 54.301 53.050 -0.142 0.000 0.853 193 N CB -0.003 38.413 38.487 -0.118 0.000 1.008 193 N HN 0.173 nan 8.380 nan 0.000 0.424 194 E N -0.820 119.340 120.200 -0.067 0.000 2.160 194 E HA -0.060 4.291 4.350 0.001 0.000 0.195 194 E C 1.465 178.082 176.600 0.027 0.000 0.991 194 E CA 1.513 57.901 56.400 -0.020 0.000 0.810 194 E CB -0.677 29.009 29.700 -0.023 0.000 0.742 194 E HN 0.473 nan 8.360 nan 0.000 0.466 195 G N -1.616 107.220 108.800 0.061 0.000 3.189 195 G HA2 0.271 4.231 3.960 0.001 0.000 0.225 195 G HA3 0.271 4.231 3.960 0.001 0.000 0.225 195 G C 0.792 175.702 174.900 0.016 0.000 1.159 195 G CA 0.079 45.224 45.100 0.075 0.000 0.763 195 G HN 0.500 nan 8.290 nan 0.000 0.549 196 G N -0.474 108.315 108.800 -0.019 0.000 2.246 196 G HA2 -0.262 3.699 3.960 0.001 0.000 0.273 196 G HA3 -0.262 3.699 3.960 0.001 0.000 0.273 196 G C -0.019 174.863 174.900 -0.030 0.000 1.055 196 G CA 0.496 45.574 45.100 -0.037 0.000 0.851 196 G HN 0.779 nan 8.290 nan 0.000 0.500 197 Q N -0.715 119.056 119.800 -0.047 0.000 2.337 197 Q HA 0.717 5.057 4.340 0.001 0.000 0.266 197 Q C 0.099 176.029 176.000 -0.117 0.000 1.023 197 Q CA -0.994 54.784 55.803 -0.042 0.000 0.829 197 Q CB 1.117 29.850 28.738 -0.009 0.000 1.306 197 Q HN 0.462 nan 8.270 nan 0.000 0.449 198 R N 3.012 123.465 120.500 -0.079 0.000 2.686 198 R HA 0.562 4.903 4.340 0.001 0.000 0.286 198 R C -0.867 175.382 176.300 -0.085 0.000 0.969 198 R CA -0.813 55.215 56.100 -0.120 0.000 0.898 198 R CB 1.555 31.818 30.300 -0.062 0.000 1.183 198 R HN 0.540 nan 8.270 nan 0.000 0.456 199 I N 2.336 122.804 120.570 -0.169 0.000 2.389 199 I HA 0.182 4.353 4.170 0.001 0.000 0.288 199 I C 0.881 177.007 176.117 0.015 0.000 0.999 199 I CA -0.463 60.781 61.300 -0.093 0.000 1.129 199 I CB 1.441 39.224 38.000 -0.363 0.000 1.288 199 I HN 0.737 nan 8.210 nan 0.000 0.444 200 S N 7.102 122.889 115.700 0.144 0.000 2.617 200 S HA 0.421 4.892 4.470 0.001 0.000 0.259 200 S C 0.429 175.155 174.600 0.209 0.000 1.301 200 S CA -0.569 57.728 58.200 0.162 0.000 0.984 200 S CB 0.848 64.167 63.200 0.199 0.000 0.954 200 S HN 0.543 nan 8.310 nan 0.000 0.572 201 R N 0.289 120.902 120.500 0.188 0.000 2.694 201 R HA 0.353 4.693 4.340 0.001 0.000 0.268 201 R C 0.442 176.914 176.300 0.287 0.000 1.061 201 R CA -0.124 56.096 56.100 0.201 0.000 1.133 201 R CB -0.004 30.381 30.300 0.143 0.000 1.020 201 R HN 0.751 nan 8.270 nan 0.000 0.475 202 I N -1.830 118.926 120.570 0.310 0.000 2.834 202 I HA 0.307 4.478 4.170 0.001 0.000 0.305 202 I C -0.165 176.144 176.117 0.320 0.000 1.008 202 I CA -0.454 61.090 61.300 0.406 0.000 1.273 202 I CB 1.214 39.470 38.000 0.427 0.000 1.432 202 I HN 0.582 nan 8.210 nan 0.000 0.557 203 E N 3.845 124.258 120.200 0.356 0.000 2.165 203 E HA 0.461 4.812 4.350 0.001 0.000 0.266 203 E C -1.736 175.041 176.600 0.295 0.000 0.889 203 E CA -0.866 55.694 56.400 0.266 0.000 0.756 203 E CB 1.991 31.822 29.700 0.219 0.000 1.131 203 E HN 0.600 nan 8.360 nan 0.000 0.411 204 V N 5.661 125.705 119.914 0.216 0.000 2.334 204 V HA 0.131 4.251 4.120 0.001 0.000 0.267 204 V C 0.387 176.567 176.094 0.144 0.000 1.040 204 V CA -0.341 62.075 62.300 0.193 0.000 0.866 204 V CB 0.631 32.507 31.823 0.088 0.000 1.019 204 V HN 0.778 nan 8.190 nan 0.000 0.468 205 N N 3.087 121.891 118.700 0.173 0.000 2.424 205 N HA 0.296 5.036 4.740 0.001 0.000 0.178 205 N C 0.679 176.249 175.510 0.100 0.000 1.060 205 N CA 0.557 53.681 53.050 0.123 0.000 0.901 205 N CB 0.486 39.046 38.487 0.122 0.000 0.979 205 N HN 0.775 nan 8.380 nan 0.000 0.451 206 G N 0.043 108.913 108.800 0.117 0.000 2.633 206 G HA2 0.450 4.411 3.960 0.001 0.000 0.299 206 G HA3 0.450 4.411 3.960 0.001 0.000 0.299 206 G C -2.150 172.822 174.900 0.119 0.000 1.501 206 G CA -0.555 44.604 45.100 0.099 0.000 0.887 206 G HN -0.068 nan 8.290 nan 0.000 0.561 207 L N 2.026 123.302 121.223 0.089 0.000 2.439 207 L HA 0.592 4.933 4.340 0.001 0.000 0.270 207 L C -1.192 175.792 176.870 0.189 0.000 0.972 207 L CA -0.824 54.091 54.840 0.126 0.000 0.836 207 L CB 2.224 44.232 42.059 -0.086 0.000 1.255 207 L HN 0.646 nan 8.230 nan 0.000 0.404 208 N N 0.720 119.626 118.700 0.343 0.000 2.484 208 N HA 0.438 5.178 4.740 0.001 0.000 0.269 208 N C -1.267 174.431 175.510 0.314 0.000 1.237 208 N CA -0.279 52.944 53.050 0.287 0.000 0.838 208 N CB 2.359 40.938 38.487 0.154 0.000 1.593 208 N HN 0.309 nan 8.380 nan 0.000 0.485 209 T N 1.536 116.238 114.554 0.247 0.000 2.743 209 T HA 0.371 4.722 4.350 0.001 0.000 0.292 209 T C -0.216 174.503 174.700 0.032 0.000 0.972 209 T CA -0.425 61.725 62.100 0.083 0.000 0.967 209 T CB 0.581 69.532 68.868 0.137 0.000 0.926 209 T HN 0.318 nan 8.240 nan 0.000 0.459 210 E N 1.461 121.648 120.200 -0.021 0.000 2.232 210 E HA 0.444 4.795 4.350 0.001 0.000 0.265 210 E C -0.390 176.195 176.600 -0.025 0.000 1.001 210 E CA -0.692 55.703 56.400 -0.008 0.000 0.870 210 E CB 1.148 30.843 29.700 -0.009 0.000 1.175 210 E HN 0.357 nan 8.360 nan 0.000 0.407 211 S N 0.420 116.113 115.700 -0.012 0.000 2.434 211 S HA 0.623 5.094 4.470 0.001 0.000 0.318 211 S C -0.315 174.275 174.600 -0.018 0.000 1.062 211 S CA -0.405 57.785 58.200 -0.016 0.000 1.116 211 S CB 0.789 63.984 63.200 -0.007 0.000 0.977 211 S HN 0.618 nan 8.310 nan 0.000 0.480 215 G N -0.347 108.437 108.800 -0.027 0.000 2.368 215 G HA2 0.469 4.430 3.960 0.001 0.000 0.302 215 G HA3 0.469 4.430 3.960 0.001 0.000 0.302 215 G C -3.187 171.685 174.900 -0.048 0.000 1.329 215 G CA 0.082 45.163 45.100 -0.033 0.000 0.935 215 G HN 0.996 nan 8.290 nan 0.000 0.590 216 P HA 0.441 nan 4.420 nan 0.000 0.268 216 P C -0.414 176.800 177.300 -0.143 0.000 1.205 216 P CA 0.004 63.050 63.100 -0.089 0.000 0.771 216 P CB 1.359 33.006 31.700 -0.088 0.000 0.858 217 V N 2.378 122.188 119.914 -0.173 0.000 2.588 217 V HA 0.539 4.660 4.120 0.001 0.000 0.304 217 V C 0.736 176.605 176.094 -0.374 0.000 1.042 217 V CA -0.682 61.487 62.300 -0.218 0.000 0.877 217 V CB 2.036 33.791 31.823 -0.114 0.000 0.996 217 V HN 0.748 nan 8.190 nan 0.000 0.425 218 G N 3.226 111.651 108.800 -0.624 0.000 2.338 218 G HA2 0.537 4.497 3.960 0.001 0.000 0.295 218 G HA3 0.537 4.497 3.960 0.001 0.000 0.295 218 G C -0.702 173.930 174.900 -0.447 0.000 1.132 218 G CA -0.200 44.193 45.100 -1.179 0.000 0.922 218 G HN 0.549 nan 8.290 nan 0.000 0.427 219 V N 2.303 122.149 119.914 -0.114 0.000 2.459 219 V HA 0.719 4.839 4.120 0.001 0.000 0.295 219 V C 0.140 176.397 176.094 0.272 0.000 1.029 219 V CA -0.709 61.653 62.300 0.103 0.000 0.874 219 V CB 1.446 33.324 31.823 0.092 0.000 0.985 219 V HN 0.985 nan 8.190 nan 0.000 0.438 220 S N 4.082 119.952 115.700 0.283 0.000 2.549 220 S HA 0.878 5.349 4.470 0.001 0.000 0.280 220 S C -0.938 173.881 174.600 0.366 0.000 1.109 220 S CA -1.029 57.366 58.200 0.326 0.000 0.905 220 S CB 2.539 65.929 63.200 0.316 0.000 1.081 220 S HN 0.694 nan 8.310 nan 0.000 0.477 221 R N 2.239 122.946 120.500 0.345 0.000 2.451 221 R HA 0.677 5.018 4.340 0.001 0.000 0.307 221 R C -1.331 175.206 176.300 0.396 0.000 0.965 221 R CA -0.452 55.832 56.100 0.305 0.000 0.865 221 R CB 0.696 31.107 30.300 0.185 0.000 1.174 221 R HN 0.883 nan 8.270 nan 0.000 0.455 222 W N 2.956 124.328 121.300 0.121 0.000 3.062 222 W HA 0.669 5.330 4.660 0.002 0.000 0.336 222 W C -1.425 175.200 176.519 0.176 0.000 1.224 222 W CA -1.142 56.285 57.345 0.137 0.000 1.159 222 W CB 0.780 30.317 29.460 0.128 0.000 1.454 222 W HN 0.482 nan 8.180 nan 0.000 0.569 223 R N 1.091 121.794 120.500 0.338 0.000 2.836 223 R HA 0.817 5.158 4.340 0.001 0.000 0.269 223 R C -1.354 175.222 176.300 0.460 0.000 1.010 223 R CA -0.734 55.480 56.100 0.190 0.000 0.930 223 R CB 2.793 33.184 30.300 0.152 0.000 1.218 223 R HN 0.504 nan 8.270 nan 0.000 0.473 224 F N -1.570 118.507 119.950 0.212 0.000 2.713 224 F HA 0.671 5.199 4.527 0.001 0.000 0.311 224 F C -1.226 174.680 175.800 0.177 0.000 1.141 224 F CA -0.960 57.201 58.000 0.267 0.000 0.939 224 F CB 1.612 40.865 39.000 0.421 0.000 1.325 224 F HN 0.555 nan 8.300 nan 0.000 0.453 225 S N 0.119 115.938 115.700 0.198 0.000 2.600 225 S HA 0.773 5.244 4.470 0.001 0.000 0.300 225 S C -1.463 173.205 174.600 0.113 0.000 1.087 225 S CA -0.497 57.598 58.200 -0.174 0.000 0.965 225 S CB 1.482 64.367 63.200 -0.524 0.000 1.089 225 S HN 1.372 nan 8.310 nan 0.000 0.496 226 H N -0.980 117.982 119.070 -0.181 0.000 2.840 226 H HA 0.732 5.288 4.556 0.001 0.000 0.340 226 H C -0.136 175.103 175.328 -0.148 0.000 1.004 226 H CA -0.802 55.209 56.048 -0.061 0.000 1.288 226 H CB 0.923 30.735 29.762 0.084 0.000 1.607 226 H HN 0.898 nan 8.280 nan 0.000 0.522 227 G N 1.599 110.312 108.800 -0.146 0.000 2.437 227 G HA2 0.577 4.537 3.960 0.001 0.000 0.319 227 G HA3 0.577 4.537 3.960 0.001 0.000 0.319 227 G C -0.595 174.243 174.900 -0.104 0.000 1.158 227 G CA -0.706 44.309 45.100 -0.142 0.000 0.899 227 G HN 0.931 nan 8.290 nan 0.000 0.502 228 G N -0.971 107.794 108.800 -0.059 0.000 2.740 228 G HA2 0.459 4.420 3.960 0.001 0.000 0.296 228 G HA3 0.459 4.420 3.960 0.001 0.000 0.296 228 G C 0.540 175.477 174.900 0.062 0.000 1.439 228 G CA 0.434 45.527 45.100 -0.011 0.000 1.066 228 G HN 1.125 nan 8.290 nan 0.000 0.527 229 S N 0.564 116.286 115.700 0.036 0.000 2.603 229 S HA 0.402 4.873 4.470 0.001 0.000 0.220 229 S C 1.649 176.253 174.600 0.007 0.000 0.967 229 S CA 0.982 59.198 58.200 0.026 0.000 0.920 229 S CB 0.194 63.370 63.200 -0.040 0.000 0.773 229 S HN 2.251 nan 8.310 nan 0.000 0.529 230 G N 0.771 109.602 108.800 0.053 0.000 2.551 230 G HA2 -0.156 3.805 3.960 0.001 0.000 0.186 230 G HA3 -0.156 3.805 3.960 0.001 0.000 0.186 230 G C 0.725 175.757 174.900 0.221 0.000 1.002 230 G CA 0.150 45.326 45.100 0.128 0.000 0.723 230 G HN 0.408 nan 8.290 nan 0.000 0.481 231 M N 1.047 120.724 119.600 0.128 0.000 2.509 231 M HA 0.238 4.719 4.480 0.001 0.000 0.250 231 M C 0.756 177.125 176.300 0.116 0.000 1.132 231 M CA 0.569 55.971 55.300 0.169 0.000 1.080 231 M CB 0.800 33.463 32.600 0.106 0.000 1.408 231 M HN -0.013 nan 8.290 nan 0.000 0.484 232 V N 3.069 123.042 119.914 0.097 0.000 2.377 232 V HA -0.060 4.060 4.120 0.001 0.000 0.254 232 V C 0.770 176.939 176.094 0.125 0.000 1.060 232 V CA 0.230 62.588 62.300 0.096 0.000 1.068 232 V CB -0.608 31.274 31.823 0.099 0.000 1.113 232 V HN 0.393 nan 8.190 nan 0.000 0.484 233 D N 2.586 123.054 120.400 0.112 0.000 2.182 233 D HA -0.158 4.482 4.640 0.001 0.000 0.201 233 D C 1.982 178.384 176.300 0.171 0.000 0.986 233 D CA 1.360 55.437 54.000 0.128 0.000 0.847 233 D CB 0.206 41.060 40.800 0.091 0.000 0.942 233 D HN 0.560 nan 8.370 nan 0.000 0.467 234 S N 0.332 116.146 115.700 0.190 0.000 2.419 234 S HA -0.095 4.376 4.470 0.001 0.000 0.235 234 S C 2.084 176.870 174.600 0.310 0.000 1.019 234 S CA 0.622 58.985 58.200 0.271 0.000 0.982 234 S CB 0.053 63.449 63.200 0.328 0.000 0.789 234 S HN 0.291 nan 8.310 nan 0.000 0.490 235 I N 0.526 121.211 120.570 0.192 0.000 2.685 235 I HA -0.042 4.128 4.170 0.001 0.000 0.251 235 I C 2.443 178.728 176.117 0.280 0.000 1.102 235 I CA 0.894 62.250 61.300 0.093 0.000 1.442 235 I CB -0.352 37.603 38.000 -0.075 0.000 1.194 235 I HN 0.282 nan 8.210 nan 0.000 0.448 236 S N 1.118 116.990 115.700 0.287 0.000 2.474 236 S HA -0.050 4.421 4.470 0.001 0.000 0.235 236 S C 1.520 176.305 174.600 0.307 0.000 0.997 236 S CA 0.665 59.062 58.200 0.328 0.000 0.949 236 S CB -0.221 63.094 63.200 0.191 0.000 0.766 236 S HN 0.400 nan 8.310 nan 0.000 0.517 237 R N -0.538 120.134 120.500 0.287 0.000 2.698 237 R HA 0.239 4.580 4.340 0.001 0.000 0.422 237 R C 0.851 177.306 176.300 0.257 0.000 1.073 237 R CA -0.391 55.846 56.100 0.228 0.000 1.054 237 R CB -0.268 30.109 30.300 0.128 0.000 1.373 237 R HN 0.523 nan 8.270 nan 0.000 0.593 238 W N 1.447 122.822 121.300 0.125 0.000 2.290 238 W HA -0.357 4.303 4.660 0.001 0.000 0.323 238 W C 1.277 177.846 176.519 0.083 0.000 1.260 238 W CA 2.530 59.916 57.345 0.068 0.000 1.266 238 W CB -0.083 29.371 29.460 -0.011 0.000 1.149 238 W HN 0.274 nan 8.180 nan 0.000 0.482 239 A N 0.124 122.999 122.820 0.092 0.000 1.872 239 A HA -0.244 4.077 4.320 0.001 0.000 0.214 239 A C 1.951 179.499 177.584 -0.060 0.000 1.187 239 A CA 1.728 53.730 52.037 -0.058 0.000 0.614 239 A CB -1.241 17.801 19.000 0.070 0.000 0.826 239 A HN 0.506 nan 8.150 nan 0.000 0.442 240 E N 0.163 120.365 120.200 0.003 0.000 2.160 240 E HA -0.207 4.144 4.350 0.001 0.000 0.195 240 E C 1.759 178.336 176.600 -0.039 0.000 0.991 240 E CA 1.556 57.945 56.400 -0.018 0.000 0.810 240 E CB -0.285 29.421 29.700 0.010 0.000 0.742 240 E HN 0.634 nan 8.360 nan 0.000 0.466 241 L N -1.406 119.801 121.223 -0.026 0.000 2.551 241 L HA 0.143 4.484 4.340 0.001 0.000 0.228 241 L C 0.571 177.441 176.870 0.001 0.000 1.153 241 L CA 0.939 55.761 54.840 -0.029 0.000 0.851 241 L CB -0.123 41.931 42.059 -0.008 0.000 0.959 241 L HN 0.009 nan 8.230 nan 0.000 0.451 242 F N 3.203 123.013 119.950 -0.233 0.000 2.622 242 F HA 0.571 5.099 4.527 0.001 0.000 0.338 242 F C -2.477 173.205 175.800 -0.196 0.000 1.334 242 F CA -3.086 54.769 58.000 -0.241 0.000 1.179 242 F CB 0.817 39.606 39.000 -0.352 0.000 1.471 242 F HN -0.045 nan 8.300 nan 0.000 0.576 243 P HA 0.085 nan 4.420 nan 0.000 0.225 243 P C 0.856 177.866 177.300 -0.483 0.000 1.768 243 P CA 0.274 63.161 63.100 -0.355 0.000 0.943 243 P CB -0.110 31.450 31.700 -0.234 0.000 1.936 244 S N -0.418 114.771 115.700 -0.851 0.000 2.400 244 S HA -0.232 4.239 4.470 0.001 0.000 0.232 244 S C 1.788 176.191 174.600 -0.328 0.000 1.025 244 S CA 1.687 59.452 58.200 -0.725 0.000 0.993 244 S CB -1.526 61.050 63.200 -1.040 0.000 0.808 244 S HN 0.342 nan 8.310 nan 0.000 0.478 245 D N 1.399 121.639 120.400 -0.266 0.000 2.310 245 D HA 0.045 4.685 4.640 0.001 0.000 0.212 245 D C 1.836 178.098 176.300 -0.063 0.000 0.965 245 D CA 1.201 55.123 54.000 -0.129 0.000 0.879 245 D CB -0.595 40.142 40.800 -0.105 0.000 0.921 245 D HN 0.700 nan 8.370 nan 0.000 0.510 246 K N -1.412 118.943 120.400 -0.074 0.000 2.358 246 K HA 0.282 4.603 4.320 0.001 0.000 0.200 246 K C 0.365 177.058 176.600 0.155 0.000 1.030 246 K CA -0.397 55.910 56.287 0.032 0.000 1.097 246 K CB 0.789 33.271 32.500 -0.029 0.000 0.862 246 K HN 0.267 nan 8.250 nan 0.000 0.534 247 L N 3.444 124.706 121.223 0.065 0.000 2.395 247 L HA 0.079 4.420 4.340 0.001 0.000 0.268 247 L C 0.600 177.606 176.870 0.228 0.000 1.223 247 L CA -0.012 54.940 54.840 0.186 0.000 1.093 247 L CB -0.056 42.029 42.059 0.043 0.000 1.349 247 L HN 0.163 nan 8.230 nan 0.000 0.427 248 N N 3.094 121.978 118.700 0.307 0.000 2.412 248 N HA -0.015 4.725 4.740 0.001 0.000 0.184 248 N C 0.040 175.604 175.510 0.090 0.000 1.101 248 N CA 0.072 53.206 53.050 0.140 0.000 0.881 248 N CB 0.193 38.722 38.487 0.070 0.000 0.969 248 N HN 0.641 nan 8.380 nan 0.000 0.459 249 R N -1.620 118.981 120.500 0.168 0.000 2.747 249 R HA 0.570 4.911 4.340 0.001 0.000 0.272 249 R C -3.310 173.139 176.300 0.247 0.000 1.032 249 R CA -1.673 54.481 56.100 0.091 0.000 0.896 249 R CB -0.024 30.217 30.300 -0.098 0.000 1.253 249 R HN -0.205 nan 8.270 nan 0.000 0.461 250 P HA 0.176 nan 4.420 nan 0.000 0.268 250 P C -1.098 176.411 177.300 0.349 0.000 1.205 250 P CA -0.085 63.143 63.100 0.212 0.000 0.771 250 P CB 0.970 32.745 31.700 0.125 0.000 0.858 251 A N 2.153 125.161 122.820 0.313 0.000 2.384 251 A HA 0.768 5.089 4.320 0.001 0.000 0.312 251 A C -0.625 177.087 177.584 0.212 0.000 1.113 251 A CA -0.312 51.920 52.037 0.325 0.000 0.779 251 A CB 1.680 20.780 19.000 0.166 0.000 1.307 251 A HN 0.507 nan 8.150 nan 0.000 0.436 252 Q N -1.098 118.838 119.800 0.228 0.000 2.578 252 Q HA 0.710 5.051 4.340 0.001 0.000 0.284 252 Q C -1.820 174.294 176.000 0.190 0.000 0.960 252 Q CA -0.688 55.211 55.803 0.160 0.000 0.809 252 Q CB 1.053 29.860 28.738 0.114 0.000 1.462 252 Q HN 1.719 nan 8.270 nan 0.000 0.392 253 V N 0.427 120.412 119.914 0.118 0.000 2.808 253 V HA 0.667 4.788 4.120 0.001 0.000 0.308 253 V C -0.762 175.362 176.094 0.051 0.000 1.099 253 V CA -0.725 61.646 62.300 0.117 0.000 0.920 253 V CB 1.980 33.858 31.823 0.091 0.000 1.014 253 V HN 0.968 nan 8.190 nan 0.000 0.425 254 E N 2.228 122.462 120.200 0.057 0.000 2.210 254 E HA 0.831 5.181 4.350 0.001 0.000 0.266 254 E C -0.624 176.000 176.600 0.041 0.000 0.883 254 E CA -0.607 55.808 56.400 0.025 0.000 0.761 254 E CB 2.537 32.253 29.700 0.027 0.000 1.156 254 E HN 0.947 nan 8.360 nan 0.000 0.412 255 A N 1.871 124.705 122.820 0.025 0.000 2.587 255 A HA 0.933 5.254 4.320 0.001 0.000 0.293 255 A C -0.770 176.840 177.584 0.045 0.000 1.087 255 A CA -0.316 51.757 52.037 0.060 0.000 0.692 255 A CB 2.203 21.255 19.000 0.086 0.000 1.291 255 A HN 0.635 nan 8.150 nan 0.000 0.407 256 G N -0.555 108.292 108.800 0.078 0.000 2.632 256 G HA2 0.756 4.717 3.960 0.001 0.000 0.292 256 G HA3 0.756 4.717 3.960 0.001 0.000 0.292 256 G C -1.280 173.693 174.900 0.122 0.000 1.465 256 G CA -0.086 45.026 45.100 0.020 0.000 0.824 256 G HN 1.871 nan 8.290 nan 0.000 0.509 257 F N -0.492 119.493 119.950 0.059 0.000 2.613 257 F HA 0.930 5.458 4.527 0.001 0.000 0.310 257 F C -0.795 175.036 175.800 0.052 0.000 1.085 257 F CA -1.669 56.366 58.000 0.058 0.000 0.945 257 F CB 1.828 40.868 39.000 0.066 0.000 1.298 257 F HN 0.389 nan 8.300 nan 0.000 0.455 258 R N 1.815 122.485 120.500 0.284 0.000 2.561 258 R HA 0.721 5.062 4.340 0.001 0.000 0.297 258 R C -1.271 175.192 176.300 0.270 0.000 0.969 258 R CA -0.797 55.414 56.100 0.185 0.000 0.879 258 R CB 1.621 31.980 30.300 0.098 0.000 1.178 258 R HN 1.037 nan 8.270 nan 0.000 0.445 259 S N 0.417 116.268 115.700 0.251 0.000 2.537 259 S HA 0.740 5.211 4.470 0.001 0.000 0.270 259 S C -1.145 173.532 174.600 0.129 0.000 1.142 259 S CA -0.782 57.533 58.200 0.191 0.000 0.870 259 S CB 2.537 65.862 63.200 0.207 0.000 1.112 259 S HN 0.572 nan 8.310 nan 0.000 0.466 260 D N 0.123 120.576 120.400 0.089 0.000 2.946 260 D HA 0.371 5.012 4.640 0.001 0.000 0.337 260 D C 1.027 177.356 176.300 0.049 0.000 1.332 260 D CA 0.089 54.128 54.000 0.065 0.000 0.935 260 D CB 0.165 40.998 40.800 0.056 0.000 1.440 260 D HN 0.648 nan 8.370 nan 0.000 0.540 261 S N -1.344 114.378 115.700 0.037 0.000 2.500 261 S HA -0.191 4.279 4.470 0.001 0.000 0.239 261 S C 1.075 175.693 174.600 0.030 0.000 0.989 261 S CA 1.015 59.232 58.200 0.028 0.000 0.951 261 S CB -0.448 62.764 63.200 0.021 0.000 0.759 261 S HN 0.433 nan 8.310 nan 0.000 0.523 262 Q N 0.640 120.461 119.800 0.036 0.000 2.373 262 Q HA 0.418 4.758 4.340 0.001 0.000 0.210 262 Q C 1.114 177.139 176.000 0.041 0.000 0.913 262 Q CA 0.864 56.690 55.803 0.037 0.000 0.911 262 Q CB 0.690 29.450 28.738 0.037 0.000 1.040 262 Q HN 0.691 nan 8.270 nan 0.000 0.521 263 G N 0.033 108.860 108.800 0.046 0.000 2.321 263 G HA2 0.456 4.416 3.960 0.001 0.000 0.296 263 G HA3 0.456 4.416 3.960 0.001 0.000 0.296 263 G C -1.776 173.157 174.900 0.055 0.000 1.287 263 G CA -0.888 44.239 45.100 0.046 0.000 0.846 263 G HN 0.014 nan 8.290 nan 0.000 0.508 264 I N 0.200 120.801 120.570 0.051 0.000 2.582 264 I HA 0.580 4.751 4.170 0.001 0.000 0.292 264 I C -0.585 175.581 176.117 0.081 0.000 1.066 264 I CA -0.575 60.763 61.300 0.064 0.000 1.053 264 I CB 2.574 40.581 38.000 0.011 0.000 1.241 264 I HN 0.546 nan 8.210 nan 0.000 0.421 265 E N 4.677 124.952 120.200 0.125 0.000 2.256 265 E HA 0.675 5.025 4.350 0.001 0.000 0.268 265 E C -1.906 174.791 176.600 0.162 0.000 0.877 265 E CA -0.609 55.862 56.400 0.117 0.000 0.757 265 E CB 3.170 32.931 29.700 0.100 0.000 1.183 265 E HN 0.392 nan 8.360 nan 0.000 0.418 266 V N 3.943 123.939 119.914 0.138 0.000 2.925 266 V HA 0.704 4.825 4.120 0.001 0.000 0.311 266 V C -1.871 174.301 176.094 0.130 0.000 1.104 266 V CA -0.499 61.903 62.300 0.169 0.000 0.954 266 V CB 1.908 33.836 31.823 0.176 0.000 1.022 266 V HN 0.742 nan 8.190 nan 0.000 0.427 267 K N 4.401 124.880 120.400 0.132 0.000 2.501 267 K HA 0.861 5.182 4.320 0.001 0.000 0.252 267 K C -2.356 174.311 176.600 0.111 0.000 0.934 267 K CA -0.731 55.619 56.287 0.105 0.000 0.797 267 K CB 2.489 35.035 32.500 0.077 0.000 1.270 267 K HN 0.513 nan 8.250 nan 0.000 0.431 268 V N 1.911 121.894 119.914 0.115 0.000 2.841 268 V HA 0.507 4.628 4.120 0.001 0.000 0.310 268 V C -1.352 174.808 176.094 0.111 0.000 1.090 268 V CA -0.647 61.725 62.300 0.119 0.000 0.930 268 V CB 2.145 34.054 31.823 0.145 0.000 1.014 268 V HN 0.934 nan 8.190 nan 0.000 0.425 269 D N 2.142 122.607 120.400 0.108 0.000 2.891 269 D HA 0.637 5.277 4.640 0.001 0.000 0.224 269 D C -0.281 176.092 176.300 0.122 0.000 1.321 269 D CA -0.020 54.039 54.000 0.099 0.000 0.929 269 D CB 2.496 43.339 40.800 0.072 0.000 1.551 269 D HN 0.914 nan 8.370 nan 0.000 0.574 270 G N 0.798 109.679 108.800 0.134 0.000 2.623 270 G HA2 0.559 4.520 3.960 0.001 0.000 0.290 270 G HA3 0.559 4.520 3.960 0.001 0.000 0.290 270 G C -1.675 173.252 174.900 0.045 0.000 1.437 270 G CA -0.574 44.640 45.100 0.191 0.000 0.798 270 G HN 0.297 nan 8.290 nan 0.000 0.488 271 E N -0.530 119.712 120.200 0.069 0.000 2.287 271 E HA 0.624 4.974 4.350 0.001 0.000 0.274 271 E C -1.595 175.009 176.600 0.008 0.000 0.896 271 E CA -0.779 55.563 56.400 -0.097 0.000 0.788 271 E CB 1.579 31.349 29.700 0.116 0.000 1.244 271 E HN 0.601 nan 8.360 nan 0.000 0.408 272 F N 1.459 121.387 119.950 -0.037 0.000 2.773 272 F HA 0.656 5.183 4.527 0.001 0.000 0.314 272 F C -2.923 172.341 175.800 -0.893 0.000 1.160 272 F CA -2.241 55.433 58.000 -0.544 0.000 0.920 272 F CB 0.474 39.280 39.000 -0.324 0.000 1.323 272 F HN 0.079 nan 8.300 nan 0.000 0.457 273 P HA 0.456 nan 4.420 nan 0.000 0.278 273 P C 0.338 177.460 177.300 -0.296 0.000 1.266 273 P CA 0.562 63.044 63.100 -1.030 0.000 0.807 273 P CB 1.576 32.575 31.700 -1.169 0.000 1.094 274 G N -0.758 107.927 108.800 -0.192 0.000 2.176 274 G HA2 -0.236 3.724 3.960 0.001 0.000 0.232 274 G HA3 -0.236 3.724 3.960 0.001 0.000 0.232 274 G C 0.709 175.606 174.900 -0.006 0.000 0.986 274 G CA 0.149 45.206 45.100 -0.072 0.000 0.643 274 G HN 0.342 nan 8.290 nan 0.000 0.522 275 V N 0.909 120.818 119.914 -0.008 0.000 2.548 275 V HA 0.171 4.291 4.120 0.001 0.000 0.249 275 V C 1.692 177.786 176.094 -0.001 0.000 1.055 275 V CA 2.183 64.484 62.300 0.002 0.000 1.065 275 V CB -0.078 31.706 31.823 -0.064 0.000 0.681 275 V HN 1.213 nan 8.190 nan 0.000 0.462 276 S N 0.065 115.773 115.700 0.012 0.000 2.566 276 S HA 0.806 5.276 4.470 0.001 0.000 0.298 276 S C -0.817 173.790 174.600 0.012 0.000 1.083 276 S CA -0.249 57.979 58.200 0.048 0.000 0.978 276 S CB 2.323 65.612 63.200 0.148 0.000 1.073 276 S HN 0.632 nan 8.310 nan 0.000 0.491 277 V N -1.291 118.617 119.914 -0.010 0.000 3.114 277 V HA 0.630 4.751 4.120 0.001 0.000 0.308 277 V C -1.069 174.990 176.094 -0.058 0.000 1.168 277 V CA -0.992 61.291 62.300 -0.029 0.000 1.015 277 V CB 1.709 33.516 31.823 -0.027 0.000 1.050 277 V HN 0.961 nan 8.190 nan 0.000 0.433 278 D N 2.138 122.508 120.400 -0.050 0.000 2.450 278 D HA 0.464 5.105 4.640 0.001 0.000 0.247 278 D C 0.775 177.038 176.300 -0.063 0.000 1.162 278 D CA 0.831 54.794 54.000 -0.061 0.000 0.879 278 D CB 1.844 42.621 40.800 -0.038 0.000 1.163 278 D HN 1.029 nan 8.370 nan 0.000 0.472 279 A N 2.939 125.711 122.820 -0.080 0.000 2.390 279 A HA 0.565 4.885 4.320 0.001 0.000 0.232 279 A C 1.030 178.580 177.584 -0.058 0.000 1.233 279 A CA 0.671 52.668 52.037 -0.068 0.000 0.907 279 A CB -0.337 18.615 19.000 -0.079 0.000 0.967 279 A HN 1.005 nan 8.150 nan 0.000 0.512 280 G N -2.207 106.561 108.800 -0.054 0.000 2.712 280 G HA2 0.393 4.354 3.960 0.001 0.000 0.686 280 G HA3 0.393 4.354 3.960 0.001 0.000 0.686 280 G C 1.016 175.888 174.900 -0.046 0.000 1.321 280 G CA 0.193 45.267 45.100 -0.043 0.000 0.813 280 G HN 2.038 nan 8.290 nan 0.000 0.599 281 G N -0.898 107.880 108.800 -0.037 0.000 2.168 281 G HA2 0.355 4.315 3.960 0.001 0.000 0.257 281 G HA3 0.355 4.315 3.960 0.001 0.000 0.257 281 G C 1.948 176.828 174.900 -0.035 0.000 0.997 281 G CA 1.085 46.164 45.100 -0.034 0.000 0.708 281 G HN 3.177 nan 8.290 nan 0.000 0.520 282 G N -1.904 106.874 108.800 -0.037 0.000 2.176 282 G HA2 -0.199 3.762 3.960 0.001 0.000 0.253 282 G HA3 -0.199 3.762 3.960 0.001 0.000 0.253 282 G C 0.379 175.247 174.900 -0.054 0.000 0.979 282 G CA 0.658 45.736 45.100 -0.036 0.000 0.641 282 G HN 1.331 nan 8.290 nan 0.000 0.530 283 L N -0.062 121.117 121.223 -0.073 0.000 2.360 283 L HA 0.753 5.094 4.340 0.001 0.000 0.271 283 L C 0.982 177.737 176.870 -0.191 0.000 1.057 283 L CA -0.985 53.784 54.840 -0.118 0.000 0.803 283 L CB 1.263 43.269 42.059 -0.088 0.000 1.207 283 L HN 0.083 nan 8.230 nan 0.000 0.445 284 R N 1.048 121.322 120.500 -0.376 0.000 2.803 284 R HA 0.651 4.992 4.340 0.001 0.000 0.276 284 R C -1.058 175.001 176.300 -0.401 0.000 0.978 284 R CA -0.929 54.888 56.100 -0.472 0.000 0.939 284 R CB 2.689 32.511 30.300 -0.797 0.000 1.179 284 R HN 0.647 nan 8.270 nan 0.000 0.472 285 R N 0.870 121.269 120.500 -0.167 0.000 2.837 285 R HA 0.479 4.820 4.340 0.001 0.000 0.271 285 R C -0.486 175.844 176.300 0.051 0.000 0.993 285 R CA -0.914 55.173 56.100 -0.021 0.000 0.931 285 R CB 0.857 31.139 30.300 -0.031 0.000 1.206 285 R HN 0.266 nan 8.270 nan 0.000 0.474 286 I N 3.504 124.099 120.570 0.041 0.000 2.634 286 I HA 0.055 4.226 4.170 0.001 0.000 0.284 286 I C 1.077 177.168 176.117 -0.045 0.000 1.124 286 I CA -0.383 60.905 61.300 -0.021 0.000 1.417 286 I CB 0.452 38.370 38.000 -0.137 0.000 1.396 286 I HN 0.694 nan 8.210 nan 0.000 0.571 287 L N 5.113 126.314 121.223 -0.036 0.000 2.499 287 L HA 0.183 4.523 4.340 0.001 0.000 0.281 287 L C 0.497 177.347 176.870 -0.033 0.000 1.234 287 L CA -0.302 54.518 54.840 -0.032 0.000 0.839 287 L CB -0.018 42.024 42.059 -0.028 0.000 1.104 287 L HN 0.442 nan 8.230 nan 0.000 0.500 288 N N 1.151 119.845 118.700 -0.010 0.000 2.412 288 N HA -0.051 4.689 4.740 0.001 0.000 0.254 288 N C -0.053 175.487 175.510 0.050 0.000 1.232 288 N CA 0.072 53.137 53.050 0.026 0.000 0.880 288 N CB -0.016 38.486 38.487 0.026 0.000 1.076 288 N HN 0.637 nan 8.380 nan 0.000 0.458 289 H N 3.479 122.579 119.070 0.049 0.000 3.004 289 H HA 0.074 4.630 4.556 0.001 0.000 0.316 289 H C -1.930 173.431 175.328 0.057 0.000 1.014 289 H CA -0.955 55.138 56.048 0.073 0.000 1.454 289 H CB 0.381 30.234 29.762 0.151 0.000 1.472 289 H HN 0.361 nan 8.280 nan 0.000 0.571 290 P HA -0.007 nan 4.420 nan 0.000 0.271 290 P C 0.860 178.304 177.300 0.241 0.000 1.218 290 P CA -0.132 63.045 63.100 0.129 0.000 0.780 290 P CB 1.237 32.955 31.700 0.030 0.000 0.901 291 L N 2.040 123.348 121.223 0.142 0.000 2.127 291 L HA -0.061 4.280 4.340 0.001 0.000 0.203 291 L C 2.404 179.291 176.870 0.028 0.000 1.080 291 L CA 0.581 55.486 54.840 0.107 0.000 0.768 291 L CB -0.567 41.567 42.059 0.125 0.000 0.924 291 L HN 0.276 nan 8.230 nan 0.000 0.444 292 I N 0.774 121.323 120.570 -0.035 0.000 2.113 292 I HA -0.220 3.951 4.170 0.001 0.000 0.242 292 I C 0.004 175.970 176.117 -0.251 0.000 1.064 292 I CA 2.132 63.291 61.300 -0.236 0.000 1.320 292 I CB -2.486 35.343 38.000 -0.285 0.000 1.028 292 I HN 0.173 nan 8.210 nan 0.000 0.406 293 P HA -0.136 nan 4.420 nan 0.000 0.215 293 P C 2.273 179.599 177.300 0.044 0.000 1.153 293 P CA 1.405 64.514 63.100 0.014 0.000 0.853 293 P CB -0.047 31.705 31.700 0.086 0.000 0.788 294 L N -1.535 119.696 121.223 0.014 0.000 2.072 294 L HA -0.099 4.242 4.340 0.001 0.000 0.205 294 L C 2.394 179.260 176.870 -0.006 0.000 1.079 294 L CA 1.120 55.933 54.840 -0.046 0.000 0.752 294 L CB -1.023 40.947 42.059 -0.149 0.000 0.906 294 L HN -0.143 nan 8.230 nan 0.000 0.436 295 V N -0.656 119.264 119.914 0.009 0.000 2.307 295 V HA -0.294 3.827 4.120 0.001 0.000 0.245 295 V C 2.321 178.503 176.094 0.148 0.000 1.045 295 V CA 1.759 64.089 62.300 0.051 0.000 1.024 295 V CB -0.765 31.095 31.823 0.061 0.000 0.651 295 V HN 0.474 nan 8.190 nan 0.000 0.449 296 H N -1.363 117.708 119.070 0.003 0.000 2.326 296 H HA -0.162 4.395 4.556 0.001 0.000 0.301 296 H C 2.398 177.721 175.328 -0.009 0.000 1.081 296 H CA 1.463 57.509 56.048 -0.004 0.000 1.334 296 H CB -0.048 29.724 29.762 0.016 0.000 1.385 296 H HN 0.449 nan 8.280 nan 0.000 0.504 297 H N 0.857 119.964 119.070 0.061 0.000 2.456 297 H HA -0.077 4.480 4.556 0.001 0.000 0.296 297 H C 2.222 177.493 175.328 -0.095 0.000 1.079 297 H CA 1.107 57.136 56.048 -0.032 0.000 1.322 297 H CB -0.190 29.540 29.762 -0.053 0.000 1.388 297 H HN 0.436 nan 8.280 nan 0.000 0.538 298 G N 0.585 109.375 108.800 -0.016 0.000 2.479 298 G HA2 -0.239 3.722 3.960 0.001 0.000 0.220 298 G HA3 -0.239 3.722 3.960 0.001 0.000 0.220 298 G C 1.782 176.556 174.900 -0.211 0.000 1.115 298 G CA 0.651 45.683 45.100 -0.112 0.000 0.757 298 G HN 0.392 nan 8.290 nan 0.000 0.560 299 M N 0.338 119.829 119.600 -0.182 0.000 2.374 299 M HA 0.023 4.504 4.480 0.001 0.000 0.264 299 M C 2.198 178.290 176.300 -0.346 0.000 1.067 299 M CA 0.969 56.153 55.300 -0.193 0.000 1.103 299 M CB 0.196 32.733 32.600 -0.105 0.000 1.402 299 M HN 0.254 nan 8.290 nan 0.000 0.444 300 V N -5.136 114.494 119.914 -0.472 0.000 3.556 300 V HA 0.404 4.525 4.120 0.001 0.000 0.287 300 V C 1.537 177.180 176.094 -0.752 0.000 1.422 300 V CA 0.591 62.542 62.300 -0.581 0.000 1.038 300 V CB -0.556 31.093 31.823 -0.291 0.000 0.850 300 V HN 0.307 nan 8.190 nan 0.000 0.437 301 G N 0.594 108.995 108.800 -0.664 0.000 2.985 301 G HA2 0.090 4.050 3.960 0.001 0.000 0.209 301 G HA3 0.090 4.050 3.960 0.001 0.000 0.209 301 G C 1.104 175.845 174.900 -0.266 0.000 1.165 301 G CA 0.100 44.955 45.100 -0.408 0.000 0.776 301 G HN 0.549 nan 8.290 nan 0.000 0.541 302 K N -0.056 120.047 120.400 -0.496 0.000 2.414 302 K HA 0.241 4.562 4.320 0.001 0.000 0.204 302 K C 0.583 177.088 176.600 -0.157 0.000 1.026 302 K CA -0.356 55.763 56.287 -0.281 0.000 1.108 302 K CB 0.278 32.614 32.500 -0.272 0.000 0.855 302 K HN 0.221 nan 8.250 nan 0.000 0.517 303 F N 1.015 120.969 119.950 0.006 0.000 2.664 303 F HA 0.137 4.664 4.527 0.001 0.000 0.296 303 F C 0.524 176.340 175.800 0.026 0.000 1.125 303 F CA -0.006 57.995 58.000 0.001 0.000 1.444 303 F CB 0.017 39.003 39.000 -0.023 0.000 1.114 303 F HN -0.096 nan 8.300 nan 0.000 0.576 304 N N 0.398 119.222 118.700 0.208 0.000 2.310 304 N HA 0.101 4.842 4.740 0.001 0.000 0.292 304 N C -1.181 174.464 175.510 0.225 0.000 1.049 304 N CA -0.502 52.654 53.050 0.177 0.000 0.849 304 N CB 1.519 40.097 38.487 0.150 0.000 1.532 304 N HN -0.108 nan 8.380 nan 0.000 0.479 305 N N 1.493 120.277 118.700 0.140 0.000 2.492 305 N HA 0.217 4.958 4.740 0.001 0.000 0.262 305 N C -0.781 174.828 175.510 0.165 0.000 1.202 305 N CA 0.623 53.717 53.050 0.072 0.000 0.926 305 N CB 0.429 38.919 38.487 0.005 0.000 1.078 305 N HN 0.428 nan 8.380 nan 0.000 0.454 306 F N -0.255 119.683 119.950 -0.020 0.000 2.645 306 F HA 0.529 5.057 4.527 0.001 0.000 0.310 306 F C -0.578 175.200 175.800 -0.036 0.000 1.102 306 F CA -1.327 56.656 58.000 -0.028 0.000 0.952 306 F CB 0.987 39.967 39.000 -0.034 0.000 1.326 306 F HN 0.093 nan 8.300 nan 0.000 0.456 307 N N 0.751 119.537 118.700 0.144 0.000 2.466 307 N HA 0.577 5.318 4.740 0.001 0.000 0.294 307 N C -1.286 174.330 175.510 0.177 0.000 1.129 307 N CA -0.537 52.548 53.050 0.057 0.000 0.931 307 N CB 2.408 40.909 38.487 0.024 0.000 1.193 307 N HN 0.521 nan 8.380 nan 0.000 0.500 308 V N 1.205 121.190 119.914 0.119 0.000 2.427 308 V HA 0.226 4.346 4.120 0.001 0.000 0.286 308 V C -0.293 175.837 176.094 0.060 0.000 1.034 308 V CA -0.554 61.823 62.300 0.128 0.000 0.893 308 V CB 1.408 33.311 31.823 0.133 0.000 0.982 308 V HN 0.628 nan 8.190 nan 0.000 0.452 309 D N 4.030 124.446 120.400 0.027 0.000 2.400 309 D HA 0.614 5.254 4.640 0.001 0.000 0.272 309 D C -0.393 175.975 176.300 0.114 0.000 1.220 309 D CA -0.005 54.038 54.000 0.072 0.000 0.897 309 D CB 1.070 41.906 40.800 0.060 0.000 1.134 309 D HN 0.749 nan 8.370 nan 0.000 0.507 310 A N 2.869 125.790 122.820 0.168 0.000 2.401 310 A HA 0.792 5.113 4.320 0.001 0.000 0.310 310 A C -0.919 176.871 177.584 0.344 0.000 1.075 310 A CA -0.762 51.410 52.037 0.223 0.000 0.746 310 A CB 1.820 20.990 19.000 0.283 0.000 1.277 310 A HN 0.435 nan 8.150 nan 0.000 0.425 311 Q N 0.578 120.558 119.800 0.300 0.000 2.315 311 Q HA 0.617 4.958 4.340 0.001 0.000 0.273 311 Q C -2.292 173.903 176.000 0.326 0.000 1.053 311 Q CA -0.681 55.306 55.803 0.307 0.000 0.817 311 Q CB 2.196 31.038 28.738 0.174 0.000 1.326 311 Q HN 0.805 nan 8.270 nan 0.000 0.423 312 L N 2.961 124.347 121.223 0.272 0.000 2.362 312 L HA 0.633 4.974 4.340 0.001 0.000 0.275 312 L C -1.660 175.386 176.870 0.294 0.000 0.998 312 L CA -0.149 54.855 54.840 0.273 0.000 0.820 312 L CB 1.725 43.829 42.059 0.075 0.000 1.270 312 L HN 0.580 nan 8.230 nan 0.000 0.415 313 K N 4.167 124.714 120.400 0.245 0.000 2.376 313 K HA 0.730 5.051 4.320 0.001 0.000 0.257 313 K C -1.961 174.756 176.600 0.195 0.000 0.939 313 K CA -0.655 55.769 56.287 0.229 0.000 0.809 313 K CB 1.768 34.353 32.500 0.142 0.000 1.121 313 K HN 0.526 nan 8.250 nan 0.000 0.425 314 V N 4.858 124.929 119.914 0.261 0.000 2.444 314 V HA 0.327 4.448 4.120 0.001 0.000 0.294 314 V C -0.781 175.391 176.094 0.130 0.000 1.022 314 V CA -0.897 61.494 62.300 0.152 0.000 0.850 314 V CB 1.722 33.636 31.823 0.151 0.000 0.992 314 V HN 0.550 nan 8.190 nan 0.000 0.426 315 V N 6.708 126.642 119.914 0.034 0.000 2.328 315 V HA 0.435 4.555 4.120 0.001 0.000 0.278 315 V C 0.137 176.196 176.094 -0.059 0.000 1.021 315 V CA -0.418 61.891 62.300 0.016 0.000 0.838 315 V CB 1.274 33.097 31.823 -0.001 0.000 0.999 315 V HN 0.621 nan 8.190 nan 0.000 0.447 316 L N 6.442 127.638 121.223 -0.045 0.000 2.439 316 L HA 0.454 4.795 4.340 0.001 0.000 0.261 316 L C -2.087 174.734 176.870 -0.083 0.000 1.153 316 L CA -1.767 52.976 54.840 -0.161 0.000 0.808 316 L CB 0.972 42.971 42.059 -0.101 0.000 1.126 316 L HN 0.383 nan 8.230 nan 0.000 0.460 317 P HA -0.011 nan 4.420 nan 0.000 0.272 317 P C -0.684 176.714 177.300 0.164 0.000 1.230 317 P CA -0.537 62.540 63.100 -0.038 0.000 0.788 317 P CB 0.493 32.085 31.700 -0.180 0.000 0.949 318 K N 1.537 122.022 120.400 0.142 0.000 2.511 318 K HA 0.251 4.572 4.320 0.001 0.000 0.280 318 K C 1.329 178.050 176.600 0.201 0.000 1.008 318 K CA 0.842 57.213 56.287 0.139 0.000 1.050 318 K CB -1.403 31.145 32.500 0.079 0.000 0.889 318 K HN 0.943 nan 8.250 nan 0.000 0.484 319 G N 2.343 111.225 108.800 0.137 0.000 2.199 319 G HA2 -0.269 3.691 3.960 0.001 0.000 0.254 319 G HA3 -0.269 3.691 3.960 0.001 0.000 0.254 319 G C -0.056 174.861 174.900 0.028 0.000 0.982 319 G CA 0.552 45.688 45.100 0.060 0.000 0.632 319 G HN 0.724 nan 8.290 nan 0.000 0.529 320 Y N 1.233 121.584 120.300 0.085 0.000 2.376 320 Y HA 0.545 5.095 4.550 0.001 0.000 0.325 320 Y C 0.745 176.730 175.900 0.141 0.000 1.199 320 Y CA 0.104 58.283 58.100 0.132 0.000 1.206 320 Y CB 1.776 40.343 38.460 0.178 0.000 1.229 320 Y HN 0.364 nan 8.280 nan 0.000 0.480 321 K N 1.549 122.130 120.400 0.301 0.000 2.477 321 K HA 0.625 4.945 4.320 0.001 0.000 0.255 321 K C -1.048 175.670 176.600 0.195 0.000 0.952 321 K CA -0.869 55.567 56.287 0.249 0.000 0.826 321 K CB 1.383 34.007 32.500 0.207 0.000 1.331 321 K HN 0.682 nan 8.250 nan 0.000 0.437 322 I N 3.050 123.638 120.570 0.031 0.000 2.471 322 I HA 0.192 4.363 4.170 0.001 0.000 0.286 322 I C 1.299 177.507 176.117 0.152 0.000 1.079 322 I CA -0.417 60.879 61.300 -0.006 0.000 1.398 322 I CB 0.844 38.624 38.000 -0.366 0.000 1.403 322 I HN 0.615 nan 8.210 nan 0.000 0.530 323 R N 4.997 125.608 120.500 0.185 0.000 2.206 323 R HA 0.119 4.460 4.340 0.001 0.000 0.198 323 R C -0.505 175.956 176.300 0.267 0.000 0.986 323 R CA 0.458 56.672 56.100 0.189 0.000 1.029 323 R CB 0.309 30.697 30.300 0.145 0.000 0.966 323 R HN 0.624 nan 8.270 nan 0.000 0.487 324 Y N -0.368 119.997 120.300 0.107 0.000 2.436 324 Y HA 0.508 5.058 4.550 0.001 0.000 0.327 324 Y C -1.946 174.040 175.900 0.143 0.000 1.138 324 Y CA -1.064 57.098 58.100 0.102 0.000 1.042 324 Y CB 1.724 40.222 38.460 0.063 0.000 1.302 324 Y HN 0.025 nan 8.280 nan 0.000 0.439 325 A N 3.994 126.582 122.820 -0.387 0.000 2.459 325 A HA 0.951 5.272 4.320 0.001 0.000 0.296 325 A C -1.760 175.606 177.584 -0.363 0.000 1.039 325 A CA -0.094 51.847 52.037 -0.161 0.000 0.698 325 A CB 1.097 20.315 19.000 0.364 0.000 1.261 325 A HN 1.638 nan 8.150 nan 0.000 0.405 326 A N 3.765 126.477 122.820 -0.179 0.000 2.497 326 A HA 0.803 5.124 4.320 0.001 0.000 0.280 326 A C -3.209 174.421 177.584 0.076 0.000 1.065 326 A CA -1.346 50.632 52.037 -0.098 0.000 0.781 326 A CB 1.029 19.921 19.000 -0.180 0.000 1.289 326 A HN 0.496 nan 8.150 nan 0.000 0.415 327 P HA 0.232 nan 4.420 nan 0.000 0.270 327 P C -0.277 177.145 177.300 0.204 0.000 1.223 327 P CA -0.054 63.017 63.100 -0.050 0.000 0.785 327 P CB 0.525 32.143 31.700 -0.137 0.000 0.923 328 Q N 1.514 121.346 119.800 0.053 0.000 2.352 328 Q HA 0.135 4.475 4.340 0.001 0.000 0.260 328 Q C -0.697 175.153 176.000 -0.250 0.000 0.976 328 Q CA 0.044 55.780 55.803 -0.111 0.000 0.881 328 Q CB -0.208 28.371 28.738 -0.265 0.000 1.235 328 Q HN 0.387 nan 8.270 nan 0.000 0.419 329 Y N 0.887 120.852 120.300 -0.559 0.000 2.357 329 Y HA 0.259 4.809 4.550 0.001 0.000 0.340 329 Y C 1.048 176.596 175.900 -0.586 0.000 1.260 329 Y CA -0.556 56.738 58.100 -1.343 0.000 1.425 329 Y CB 0.597 38.069 38.460 -1.646 0.000 1.326 329 Y HN 0.743 nan 8.280 nan 0.000 0.580 330 R N 0.840 121.172 120.500 -0.281 0.000 2.112 330 R HA 0.135 4.476 4.340 0.001 0.000 0.216 330 R C -0.343 175.951 176.300 -0.011 0.000 1.080 330 R CA 0.967 57.003 56.100 -0.107 0.000 0.996 330 R CB 0.058 30.328 30.300 -0.050 0.000 0.902 330 R HN 0.930 nan 8.270 nan 0.000 0.449 331 S N -1.186 114.519 115.700 0.009 0.000 2.638 331 S HA 0.316 4.787 4.470 0.001 0.000 0.274 331 S C -1.471 173.035 174.600 -0.157 0.000 1.157 331 S CA -0.931 57.258 58.200 -0.019 0.000 0.826 331 S CB 2.136 65.306 63.200 -0.051 0.000 1.139 331 S HN 0.199 nan 8.310 nan 0.000 0.474 332 Q N 0.786 120.438 119.800 -0.246 0.000 2.320 332 Q HA 0.470 4.810 4.340 0.001 0.000 0.272 332 Q C -2.300 173.478 176.000 -0.370 0.000 1.023 332 Q CA -0.480 54.993 55.803 -0.550 0.000 0.855 332 Q CB 1.885 30.134 28.738 -0.816 0.000 1.367 332 Q HN 0.787 nan 8.270 nan 0.000 0.406 333 N N 5.056 123.529 118.700 -0.378 0.000 2.609 333 N HA 0.388 5.129 4.740 0.001 0.000 0.268 333 N C 0.043 175.411 175.510 -0.236 0.000 1.106 333 N CA -0.122 52.790 53.050 -0.231 0.000 0.823 333 N CB 0.512 38.908 38.487 -0.152 0.000 1.263 333 N HN 0.904 nan 8.380 nan 0.000 0.533 334 L N 0.823 121.918 121.223 -0.212 0.000 5.712 334 L HA -0.401 3.940 4.340 0.001 0.000 0.053 334 L C 0.725 177.463 176.870 -0.219 0.000 2.787 334 L CA 1.574 56.316 54.840 -0.163 0.000 1.527 334 L CB -0.876 41.126 42.059 -0.095 0.000 2.908 334 L HN 0.487 nan 8.230 nan 0.000 0.994 335 E N -0.023 120.101 120.200 -0.126 0.000 2.479 335 E HA 0.042 4.393 4.350 0.001 0.000 0.193 335 E C 0.153 176.728 176.600 -0.042 0.000 1.049 335 E CA 0.272 56.650 56.400 -0.037 0.000 0.870 335 E CB 0.270 29.991 29.700 0.036 0.000 0.944 335 E HN 0.372 nan 8.360 nan 0.000 0.492 336 E N 0.524 120.619 120.200 -0.176 0.000 2.167 336 E HA 0.136 4.486 4.350 0.001 0.000 0.284 336 E C -1.134 175.289 176.600 -0.296 0.000 1.016 336 E CA -0.376 55.955 56.400 -0.114 0.000 0.817 336 E CB 0.425 30.072 29.700 -0.089 0.000 1.080 336 E HN 0.044 nan 8.360 nan 0.000 0.397 337 Y N 3.083 123.300 120.300 -0.139 0.000 2.429 337 Y HA 0.496 5.047 4.550 0.001 0.000 0.342 337 Y C 0.246 176.088 175.900 -0.097 0.000 1.004 337 Y CA -1.104 56.822 58.100 -0.289 0.000 1.075 337 Y CB 1.861 40.013 38.460 -0.514 0.000 1.214 337 Y HN 0.363 nan 8.280 nan 0.000 0.455 338 R N 2.043 122.501 120.500 -0.070 0.000 2.686 338 R HA 0.403 4.743 4.340 0.001 0.000 0.286 338 R C -1.589 174.687 176.300 -0.040 0.000 0.969 338 R CA -0.818 55.334 56.100 0.085 0.000 0.898 338 R CB 2.163 32.491 30.300 0.047 0.000 1.183 338 R HN 0.683 nan 8.270 nan 0.000 0.456 339 W N 1.252 122.513 121.300 -0.064 0.000 2.702 339 W HA 0.458 5.119 4.660 0.001 0.000 0.331 339 W C -0.263 176.180 176.519 -0.126 0.000 1.049 339 W CA -0.586 56.641 57.345 -0.198 0.000 1.230 339 W CB 2.339 31.378 29.460 -0.703 0.000 1.408 339 W HN 0.646 nan 8.180 nan 0.000 0.492 340 S N 1.429 117.282 115.700 0.255 0.000 2.580 340 S HA 0.684 5.155 4.470 0.001 0.000 0.281 340 S C -0.315 174.459 174.600 0.290 0.000 1.129 340 S CA -0.052 58.351 58.200 0.337 0.000 0.862 340 S CB 1.136 64.470 63.200 0.223 0.000 1.090 340 S HN 1.386 nan 8.310 nan 0.000 0.451 341 G N 1.305 110.280 108.800 0.293 0.000 2.752 341 G HA2 0.311 4.272 3.960 0.001 0.000 0.234 341 G HA3 0.311 4.272 3.960 0.001 0.000 0.234 341 G C 1.163 176.173 174.900 0.184 0.000 1.367 341 G CA 0.757 45.971 45.100 0.190 0.000 0.879 341 G HN 2.713 nan 8.290 nan 0.000 0.563 342 G N -0.947 107.920 108.800 0.113 0.000 2.627 342 G HA2 0.101 4.061 3.960 0.001 0.000 0.312 342 G HA3 0.101 4.061 3.960 0.001 0.000 0.312 342 G C 1.828 176.784 174.900 0.094 0.000 1.299 342 G CA 2.587 47.738 45.100 0.086 0.000 0.989 342 G HN 2.557 nan 8.290 nan 0.000 0.547 343 A N -1.812 121.060 122.820 0.086 0.000 2.024 343 A HA 0.063 4.383 4.320 0.001 0.000 0.220 343 A C 2.163 179.816 177.584 0.115 0.000 1.164 343 A CA 2.569 54.648 52.037 0.071 0.000 0.643 343 A CB -0.475 18.548 19.000 0.039 0.000 0.806 343 A HN 1.374 nan 8.150 nan 0.000 0.451 344 Y N 0.481 120.821 120.300 0.066 0.000 2.200 344 Y HA 0.014 4.565 4.550 0.001 0.000 0.290 344 Y C 2.570 178.577 175.900 0.179 0.000 1.137 344 Y CA 0.873 59.025 58.100 0.086 0.000 1.163 344 Y CB -0.583 37.988 38.460 0.184 0.000 0.988 344 Y HN 0.293 nan 8.280 nan 0.000 0.518 345 A N 0.596 123.452 122.820 0.059 0.000 1.933 345 A HA -0.165 4.156 4.320 0.001 0.000 0.218 345 A C 2.338 179.900 177.584 -0.037 0.000 1.175 345 A CA 1.682 53.717 52.037 -0.004 0.000 0.628 345 A CB -0.559 18.489 19.000 0.081 0.000 0.814 345 A HN 0.502 nan 8.150 nan 0.000 0.444 346 R N -2.412 118.087 120.500 -0.002 0.000 2.115 346 R HA -0.160 4.180 4.340 0.001 0.000 0.230 346 R C 1.981 178.276 176.300 -0.008 0.000 1.111 346 R CA 1.371 57.464 56.100 -0.012 0.000 0.976 346 R CB -0.312 29.987 30.300 -0.003 0.000 0.870 346 R HN 0.797 nan 8.270 nan 0.000 0.445 347 W N 0.786 121.968 121.300 -0.198 0.000 2.388 347 W HA -0.140 4.521 4.660 0.001 0.000 0.294 347 W C 1.652 178.072 176.519 -0.166 0.000 1.212 347 W CA 0.883 58.099 57.345 -0.214 0.000 1.271 347 W CB -0.140 29.122 29.460 -0.330 0.000 1.126 347 W HN -0.262 nan 8.180 nan 0.000 0.535 348 V N 0.774 120.516 119.914 -0.286 0.000 2.307 348 V HA -0.316 3.805 4.120 0.001 0.000 0.245 348 V C 2.300 178.273 176.094 -0.200 0.000 1.045 348 V CA 2.404 64.487 62.300 -0.361 0.000 1.024 348 V CB -0.996 30.695 31.823 -0.220 0.000 0.651 348 V HN 0.291 nan 8.190 nan 0.000 0.449 349 E N -0.109 120.055 120.200 -0.061 0.000 2.058 349 E HA -0.337 4.014 4.350 0.001 0.000 0.194 349 E C 2.179 178.767 176.600 -0.020 0.000 0.997 349 E CA 2.011 58.436 56.400 0.042 0.000 0.801 349 E CB -0.246 29.391 29.700 -0.105 0.000 0.746 349 E HN 0.814 nan 8.360 nan 0.000 0.450 350 H N 0.300 119.238 119.070 -0.219 0.000 2.265 350 H HA -0.162 4.394 4.556 0.001 0.000 0.295 350 H C 2.152 177.289 175.328 -0.318 0.000 1.084 350 H CA 3.112 59.011 56.048 -0.248 0.000 1.261 350 H CB -0.332 29.276 29.762 -0.258 0.000 1.360 350 H HN 0.168 nan 8.280 nan 0.000 0.487 351 V N -1.996 117.612 119.914 -0.509 0.000 2.548 351 V HA -0.179 3.942 4.120 0.001 0.000 0.249 351 V C 2.515 178.391 176.094 -0.363 0.000 1.055 351 V CA 1.538 63.490 62.300 -0.580 0.000 1.065 351 V CB -1.247 30.030 31.823 -0.911 0.000 0.681 351 V HN 0.616 nan 8.190 nan 0.000 0.462 352 C N 0.426 119.579 119.300 -0.246 0.000 2.432 352 C HA 0.012 4.472 4.460 0.001 0.000 0.280 352 C C 2.624 177.648 174.990 0.057 0.000 1.353 352 C CA 1.381 60.349 59.018 -0.084 0.000 1.766 352 C CB -1.235 26.489 27.740 -0.027 0.000 1.924 352 C HN 0.604 nan 8.230 nan 0.000 0.509 353 K N -0.310 120.074 120.400 -0.026 0.000 2.374 353 K HA 0.245 4.566 4.320 0.001 0.000 0.196 353 K C 1.349 177.864 176.600 -0.141 0.000 1.023 353 K CA 0.761 57.012 56.287 -0.060 0.000 1.103 353 K CB 0.325 32.791 32.500 -0.055 0.000 0.848 353 K HN 0.490 nan 8.250 nan 0.000 0.528 354 G N 0.907 109.599 108.800 -0.179 0.000 2.205 354 G HA2 -0.172 3.789 3.960 0.001 0.000 0.180 354 G HA3 -0.172 3.789 3.960 0.001 0.000 0.180 354 G C 0.337 175.075 174.900 -0.270 0.000 1.004 354 G CA -0.478 44.516 45.100 -0.176 0.000 0.670 354 G HN 0.407 nan 8.290 nan 0.000 0.496 355 G N -0.270 108.216 108.800 -0.522 0.000 2.527 355 G HA2 0.581 4.542 3.960 0.001 0.000 0.248 355 G HA3 0.581 4.542 3.960 0.001 0.000 0.248 355 G C 0.999 175.680 174.900 -0.364 0.000 1.231 355 G CA 0.559 45.193 45.100 -0.777 0.000 0.838 355 G HN 1.391 nan 8.290 nan 0.000 0.570 356 V N -0.071 119.829 119.914 -0.024 0.000 3.176 356 V HA 0.479 4.599 4.120 0.001 0.000 0.332 356 V C 1.089 177.347 176.094 0.275 0.000 1.414 356 V CA 0.003 62.361 62.300 0.097 0.000 1.133 356 V CB -0.200 31.673 31.823 0.084 0.000 1.088 356 V HN 0.853 nan 8.190 nan 0.000 0.473 357 G N 0.988 110.094 108.800 0.510 0.000 2.224 357 G HA2 0.131 4.091 3.960 0.001 0.000 0.239 357 G HA3 0.131 4.091 3.960 0.001 0.000 0.239 357 G C -0.027 175.130 174.900 0.428 0.000 1.240 357 G CA 0.201 45.514 45.100 0.355 0.000 0.896 357 G HN 0.677 nan 8.290 nan 0.000 0.496 358 Q N 1.034 120.997 119.800 0.272 0.000 2.289 358 Q HA 0.167 4.508 4.340 0.001 0.000 0.273 358 Q C -1.047 175.079 176.000 0.209 0.000 1.029 358 Q CA -0.304 55.644 55.803 0.242 0.000 0.896 358 Q CB 0.334 29.159 28.738 0.146 0.000 1.182 358 Q HN 0.371 nan 8.270 nan 0.000 0.385 359 F N 4.917 124.810 119.950 -0.095 0.000 2.366 359 F HA 0.367 4.895 4.527 0.001 0.000 0.366 359 F C -0.994 174.669 175.800 -0.230 0.000 1.096 359 F CA -1.389 56.340 58.000 -0.450 0.000 1.060 359 F CB 1.005 39.286 39.000 -1.197 0.000 1.282 359 F HN 0.604 nan 8.300 nan 0.000 0.450 360 E N 6.191 126.439 120.200 0.080 0.000 2.191 360 E HA 0.593 4.944 4.350 0.001 0.000 0.278 360 E C -1.271 175.289 176.600 -0.067 0.000 0.972 360 E CA -0.585 55.811 56.400 -0.006 0.000 0.804 360 E CB 1.349 31.166 29.700 0.196 0.000 1.110 360 E HN 0.669 nan 8.360 nan 0.000 0.394 361 I N 5.666 126.159 120.570 -0.128 0.000 2.468 361 I HA 0.284 4.455 4.170 0.001 0.000 0.285 361 I C -0.974 175.200 176.117 0.094 0.000 1.039 361 I CA -0.573 60.702 61.300 -0.043 0.000 1.074 361 I CB 1.303 39.167 38.000 -0.226 0.000 1.228 361 I HN 0.390 nan 8.210 nan 0.000 0.436 362 L N 7.371 128.710 121.223 0.192 0.000 2.341 362 L HA 0.580 4.921 4.340 0.001 0.000 0.278 362 L C -1.020 175.972 176.870 0.203 0.000 1.005 362 L CA -0.827 54.102 54.840 0.148 0.000 0.818 362 L CB 1.583 43.725 42.059 0.138 0.000 1.259 362 L HN 0.518 nan 8.230 nan 0.000 0.418 363 Y N 2.014 122.342 120.300 0.047 0.000 2.609 363 Y HA 0.973 5.524 4.550 0.001 0.000 0.342 363 Y C -0.736 175.241 175.900 0.128 0.000 1.058 363 Y CA -1.082 57.060 58.100 0.069 0.000 1.055 363 Y CB 1.906 40.386 38.460 0.034 0.000 1.292 363 Y HN 0.621 nan 8.280 nan 0.000 0.476 364 A N 1.268 124.243 122.820 0.258 0.000 2.586 364 A HA 0.479 4.799 4.320 0.001 0.000 0.290 364 A C -1.604 176.027 177.584 0.078 0.000 1.086 364 A CA -1.050 51.076 52.037 0.148 0.000 0.665 364 A CB 1.621 20.633 19.000 0.020 0.000 1.279 364 A HN 0.897 nan 8.150 nan 0.000 0.423 365 Q N 0.000 119.681 119.800 -0.198 0.000 2.315 365 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 365 Q CA 0.000 55.549 55.803 -0.423 0.000 1.022 365 Q CB 0.000 28.390 28.738 -0.580 0.000 1.108 365 Q HN 0.000 nan 8.270 nan 0.000 0.481