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 3mkn_1_A DATA FIRST_RESID 3 DATA SEQUENCE KRKIILDCDP GHDDAIAIMM AAKHPAIDLL GITIVAGNQT LDKTLINGLN DATA SEQUENCE VCQKLEINVP VYAGMPQPIM RQQIVADNIH GDTGLDGPVF EPLTRQAEST DATA SEQUENCE HAVKYIIDTL MASDGDITLV PVGPLSNIAV AMRMQPAILP KIREIVLMGG DATA SEQUENCE AYGTGNFTPS AEFNIFADPE AARVVFTSGV PLVMMGLDLT NQTVCTPDVI DATA SEQUENCE ARMERAGGPA GELFSDIMNF TLKTQFEXXX XXXXPVHDAT CIGYLINPDG DATA SEQUENCE IKTQEMYVEV DVNSGPCYGR TVCDELGVLG KPANTKVGIT IDTDWFWGLV DATA SEQUENCE EECVRGYIKT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.628 176.600 0.046 0.000 0.988 3 K CA 0.000 56.317 56.287 0.050 0.000 0.838 3 K CB 0.000 32.527 32.500 0.045 0.000 1.064 4 R N 2.622 123.155 120.500 0.054 0.000 2.216 4 R HA 0.192 4.533 4.340 0.001 0.000 0.332 4 R C -0.184 176.149 176.300 0.056 0.000 1.056 4 R CA -0.345 55.785 56.100 0.051 0.000 0.901 4 R CB 0.512 30.845 30.300 0.055 0.000 1.039 4 R HN 0.407 nan 8.270 nan 0.000 0.456 5 K N 4.015 124.443 120.400 0.047 0.000 2.379 5 K HA 0.218 4.539 4.320 0.001 0.000 0.284 5 K C 0.588 177.219 176.600 0.052 0.000 1.044 5 K CA 0.195 56.511 56.287 0.049 0.000 0.974 5 K CB 0.496 33.018 32.500 0.036 0.000 0.962 5 K HN 0.556 nan 8.250 nan 0.000 0.474 6 I N -0.177 120.433 120.570 0.066 0.000 2.865 6 I HA 0.517 4.688 4.170 0.001 0.000 0.302 6 I C -0.911 175.257 176.117 0.085 0.000 1.140 6 I CA -1.215 60.126 61.300 0.069 0.000 1.021 6 I CB 1.783 39.830 38.000 0.079 0.000 1.233 6 I HN 0.397 nan 8.210 nan 0.000 0.427 7 I N 4.960 125.578 120.570 0.080 0.000 2.362 7 I HA 0.335 4.506 4.170 0.001 0.000 0.289 7 I C -0.876 175.300 176.117 0.098 0.000 0.994 7 I CA -0.773 60.597 61.300 0.116 0.000 1.158 7 I CB 1.867 39.937 38.000 0.116 0.000 1.315 7 I HN 0.438 nan 8.210 nan 0.000 0.451 8 L N 6.666 127.953 121.223 0.106 0.000 2.257 8 L HA 0.390 4.730 4.340 0.001 0.000 0.290 8 L C -0.656 176.263 176.870 0.081 0.000 1.044 8 L CA 0.198 55.090 54.840 0.088 0.000 0.810 8 L CB 0.904 43.017 42.059 0.089 0.000 1.193 8 L HN 0.492 nan 8.230 nan 0.000 0.425 9 D N 4.506 124.946 120.400 0.066 0.000 2.303 9 D HA 0.612 5.253 4.640 0.001 0.000 0.236 9 D C -0.932 175.396 176.300 0.045 0.000 1.068 9 D CA -0.171 53.862 54.000 0.055 0.000 0.830 9 D CB 0.773 41.600 40.800 0.045 0.000 1.109 9 D HN 0.806 nan 8.370 nan 0.000 0.496 10 C N 2.519 121.841 119.300 0.036 0.000 3.288 10 C HA 0.748 5.209 4.460 0.001 0.000 0.318 10 C C -1.607 173.390 174.990 0.012 0.000 1.356 10 C CA -0.905 58.132 59.018 0.031 0.000 1.359 10 C CB 1.766 29.528 27.740 0.036 0.000 1.688 10 C HN 0.653 nan 8.230 nan 0.000 0.467 11 D N -0.656 119.748 120.400 0.006 0.000 2.613 11 D HA 0.354 4.995 4.640 0.001 0.000 0.312 11 D C -3.002 173.262 176.300 -0.059 0.000 1.202 11 D CA -1.326 52.664 54.000 -0.017 0.000 0.825 11 D CB 0.296 41.104 40.800 0.012 0.000 1.113 11 D HN 0.389 nan 8.370 nan 0.000 0.502 12 P HA 0.376 nan 4.420 nan 0.000 0.267 12 P C 0.638 177.857 177.300 -0.135 0.000 1.209 12 P CA 0.807 63.856 63.100 -0.085 0.000 0.763 12 P CB 0.748 32.400 31.700 -0.080 0.000 0.816 13 G N 2.581 111.276 108.800 -0.174 0.000 3.439 13 G HA2 -0.167 3.793 3.960 0.001 0.000 0.686 13 G HA3 -0.167 3.793 3.960 0.001 0.000 0.686 13 G C 0.297 175.193 174.900 -0.006 0.000 1.075 13 G CA -0.615 44.403 45.100 -0.136 0.000 0.926 13 G HN 0.540 nan 8.290 nan 0.000 0.485 14 H N 1.267 120.442 119.070 0.175 0.000 2.290 14 H HA -0.088 4.469 4.556 0.001 0.000 0.298 14 H C 2.486 177.870 175.328 0.093 0.000 1.087 14 H CA 2.518 58.649 56.048 0.139 0.000 1.291 14 H CB 0.255 30.121 29.762 0.173 0.000 1.369 14 H HN 0.687 nan 8.280 nan 0.000 0.492 15 D N 0.232 120.794 120.400 0.270 0.000 2.234 15 D HA -0.109 4.532 4.640 0.001 0.000 0.205 15 D C 1.106 177.502 176.300 0.159 0.000 0.962 15 D CA 0.970 55.092 54.000 0.203 0.000 0.855 15 D CB -0.519 40.434 40.800 0.256 0.000 0.951 15 D HN 0.391 nan 8.370 nan 0.000 0.500 16 D N 1.715 122.190 120.400 0.125 0.000 2.123 16 D HA -0.116 4.525 4.640 0.001 0.000 0.196 16 D C 2.217 178.560 176.300 0.072 0.000 0.992 16 D CA 2.215 56.266 54.000 0.085 0.000 0.833 16 D CB -0.259 40.564 40.800 0.039 0.000 0.954 16 D HN 0.332 nan 8.370 nan 0.000 0.455 17 A N 0.725 123.576 122.820 0.053 0.000 1.940 17 A HA -0.183 4.138 4.320 0.001 0.000 0.219 17 A C 2.012 179.637 177.584 0.069 0.000 1.176 17 A CA 1.058 53.119 52.037 0.040 0.000 0.631 17 A CB -0.533 18.482 19.000 0.025 0.000 0.814 17 A HN 0.134 nan 8.150 nan 0.000 0.446 18 I N -0.061 120.568 120.570 0.099 0.000 2.315 18 I HA -0.187 3.984 4.170 0.001 0.000 0.248 18 I C 2.890 179.103 176.117 0.161 0.000 1.117 18 I CA 1.206 62.597 61.300 0.151 0.000 1.404 18 I CB -1.777 36.339 38.000 0.193 0.000 1.071 18 I HN 0.347 nan 8.210 nan 0.000 0.419 19 A N 1.181 124.091 122.820 0.151 0.000 1.902 19 A HA -0.159 4.162 4.320 0.001 0.000 0.217 19 A C 2.408 180.068 177.584 0.126 0.000 1.181 19 A CA 1.373 53.498 52.037 0.146 0.000 0.623 19 A CB -0.774 18.309 19.000 0.139 0.000 0.818 19 A HN 0.358 nan 8.150 nan 0.000 0.443 20 I N -0.840 119.792 120.570 0.103 0.000 2.163 20 I HA -0.308 3.862 4.170 0.001 0.000 0.243 20 I C 2.769 178.961 176.117 0.126 0.000 1.085 20 I CA 1.728 63.085 61.300 0.095 0.000 1.347 20 I CB -0.327 37.707 38.000 0.057 0.000 1.044 20 I HN 0.404 nan 8.210 nan 0.000 0.408 21 M N 0.610 120.274 119.600 0.106 0.000 2.073 21 M HA -0.277 4.204 4.480 0.001 0.000 0.258 21 M C 2.422 178.882 176.300 0.267 0.000 1.070 21 M CA 2.191 57.562 55.300 0.119 0.000 1.103 21 M CB -0.436 32.169 32.600 0.008 0.000 1.321 21 M HN 0.208 nan 8.290 nan 0.000 0.405 22 M N -0.370 119.348 119.600 0.197 0.000 2.086 22 M HA -0.166 4.315 4.480 0.001 0.000 0.261 22 M C 2.296 178.704 176.300 0.179 0.000 1.067 22 M CA 1.971 57.378 55.300 0.179 0.000 1.116 22 M CB -0.738 31.929 32.600 0.112 0.000 1.348 22 M HN 0.439 nan 8.290 nan 0.000 0.407 23 A N 0.267 123.181 122.820 0.157 0.000 1.933 23 A HA -0.026 4.295 4.320 0.001 0.000 0.218 23 A C 2.273 179.943 177.584 0.143 0.000 1.175 23 A CA 1.866 53.987 52.037 0.140 0.000 0.628 23 A CB -0.841 18.233 19.000 0.122 0.000 0.814 23 A HN 0.522 nan 8.150 nan 0.000 0.444 24 A N -1.602 121.316 122.820 0.164 0.000 2.167 24 A HA 0.108 4.429 4.320 0.001 0.000 0.214 24 A C 1.932 179.572 177.584 0.093 0.000 1.151 24 A CA 1.917 54.040 52.037 0.144 0.000 0.735 24 A CB -0.135 18.977 19.000 0.187 0.000 0.802 24 A HN 0.378 nan 8.150 nan 0.000 0.467 25 K N -1.106 119.352 120.400 0.097 0.000 2.424 25 K HA 0.090 4.410 4.320 0.001 0.000 0.198 25 K C 0.525 177.120 176.600 -0.008 0.000 1.190 25 K CA 0.032 56.295 56.287 -0.040 0.000 0.935 25 K CB -0.135 32.279 32.500 -0.144 0.000 1.087 25 K HN 0.442 nan 8.250 nan 0.000 0.524 26 H N 2.638 121.711 119.070 0.004 0.000 2.803 26 H HA 0.091 4.647 4.556 0.001 0.000 0.330 26 H C -1.831 173.500 175.328 0.005 0.000 1.057 26 H CA -1.366 54.684 56.048 0.003 0.000 1.458 26 H CB 1.573 31.347 29.762 0.021 0.000 1.470 26 H HN 0.028 nan 8.280 nan 0.000 0.560 27 P HA -0.068 nan 4.420 nan 0.000 0.228 27 P C 0.750 178.105 177.300 0.092 0.000 1.151 27 P CA 0.784 63.849 63.100 -0.058 0.000 0.770 27 P CB 0.131 31.746 31.700 -0.142 0.000 0.786 28 A N -0.624 122.388 122.820 0.321 0.000 2.218 28 A HA 0.142 4.463 4.320 0.001 0.000 0.209 28 A C 1.042 178.721 177.584 0.159 0.000 1.168 28 A CA 0.447 52.630 52.037 0.243 0.000 0.804 28 A CB -0.289 18.873 19.000 0.269 0.000 0.834 28 A HN 0.058 nan 8.150 nan 0.000 0.482 29 I N 0.197 120.866 120.570 0.165 0.000 2.465 29 I HA 0.295 4.466 4.170 0.001 0.000 0.291 29 I C -1.376 174.797 176.117 0.092 0.000 1.014 29 I CA -0.652 60.718 61.300 0.117 0.000 1.093 29 I CB 1.662 39.736 38.000 0.125 0.000 1.267 29 I HN 0.002 nan 8.210 nan 0.000 0.431 30 D N 6.295 126.741 120.400 0.077 0.000 2.472 30 D HA 0.233 4.874 4.640 0.001 0.000 0.234 30 D C -0.795 175.551 176.300 0.077 0.000 1.088 30 D CA -0.489 53.552 54.000 0.067 0.000 0.882 30 D CB 0.749 41.583 40.800 0.055 0.000 1.037 30 D HN 0.261 nan 8.370 nan 0.000 0.520 31 L N 5.174 126.446 121.223 0.083 0.000 2.407 31 L HA 0.218 4.559 4.340 0.001 0.000 0.282 31 L C 0.657 177.589 176.870 0.102 0.000 1.110 31 L CA 0.122 55.018 54.840 0.094 0.000 0.863 31 L CB 0.281 42.397 42.059 0.096 0.000 1.207 31 L HN 0.506 nan 8.230 nan 0.000 0.454 32 L N 4.461 125.758 121.223 0.123 0.000 2.131 32 L HA 0.289 4.630 4.340 0.001 0.000 0.206 32 L C 1.132 178.129 176.870 0.213 0.000 1.087 32 L CA 0.690 55.626 54.840 0.160 0.000 0.767 32 L CB -0.540 41.620 42.059 0.168 0.000 0.917 32 L HN 0.797 nan 8.230 nan 0.000 0.441 33 G N -0.518 108.412 108.800 0.217 0.000 2.579 33 G HA2 0.527 4.487 3.960 0.001 0.000 0.292 33 G HA3 0.527 4.487 3.960 0.001 0.000 0.292 33 G C -1.685 173.312 174.900 0.160 0.000 1.484 33 G CA -0.579 44.634 45.100 0.189 0.000 0.813 33 G HN -0.103 nan 8.290 nan 0.000 0.515 34 I N 1.665 122.305 120.570 0.117 0.000 2.362 34 I HA 0.445 4.615 4.170 0.001 0.000 0.289 34 I C 0.420 176.608 176.117 0.119 0.000 0.994 34 I CA -0.658 60.699 61.300 0.094 0.000 1.158 34 I CB 2.241 40.265 38.000 0.040 0.000 1.315 34 I HN 0.583 nan 8.210 nan 0.000 0.451 35 T N 4.803 119.425 114.554 0.114 0.000 2.859 35 T HA 0.675 5.026 4.350 0.001 0.000 0.281 35 T C -0.376 174.352 174.700 0.046 0.000 1.005 35 T CA -0.756 61.406 62.100 0.103 0.000 1.025 35 T CB 1.677 70.618 68.868 0.120 0.000 0.977 35 T HN 0.188 nan 8.240 nan 0.000 0.458 36 I N 2.721 123.299 120.570 0.013 0.000 2.441 36 I HA 0.625 4.796 4.170 0.001 0.000 0.295 36 I C -0.199 175.907 176.117 -0.019 0.000 0.994 36 I CA -1.150 60.142 61.300 -0.013 0.000 1.144 36 I CB 1.542 39.518 38.000 -0.039 0.000 1.314 36 I HN 0.575 nan 8.210 nan 0.000 0.445 37 V N 4.703 124.612 119.914 -0.008 0.000 2.914 37 V HA 0.792 4.912 4.120 0.001 0.000 0.314 37 V C 0.054 176.147 176.094 -0.001 0.000 1.084 37 V CA -0.606 61.692 62.300 -0.003 0.000 0.963 37 V CB 2.168 33.995 31.823 0.007 0.000 1.025 37 V HN 0.923 nan 8.190 nan 0.000 0.432 38 A N 3.188 126.010 122.820 0.003 0.000 2.462 38 A HA 0.734 5.054 4.320 0.001 0.000 0.243 38 A C 0.915 178.519 177.584 0.034 0.000 1.076 38 A CA 0.793 52.838 52.037 0.014 0.000 0.773 38 A CB 0.297 19.305 19.000 0.013 0.000 1.010 38 A HN 1.912 nan 8.150 nan 0.000 0.493 39 G N 0.442 109.288 108.800 0.077 0.000 3.353 39 G HA2 -0.004 3.956 3.960 0.001 0.000 0.127 39 G HA3 -0.004 3.956 3.960 0.001 0.000 0.127 39 G C 0.835 175.904 174.900 0.281 0.000 1.167 39 G CA 0.467 45.689 45.100 0.204 0.000 1.459 39 G HN 0.494 nan 8.290 nan 0.000 0.702 40 N N 0.452 119.199 118.700 0.077 0.000 2.091 40 N HA -0.034 4.707 4.740 0.001 0.000 0.193 40 N C 0.863 176.330 175.510 -0.072 0.000 1.021 40 N CA 1.303 54.224 53.050 -0.215 0.000 0.862 40 N CB 0.022 38.203 38.487 -0.509 0.000 1.018 40 N HN 0.317 nan 8.380 nan 0.000 0.429 41 Q N -0.934 118.853 119.800 -0.021 0.000 2.683 41 Q HA 0.244 4.585 4.340 0.001 0.000 0.302 41 Q C -0.411 175.605 176.000 0.027 0.000 1.042 41 Q CA -0.449 55.365 55.803 0.017 0.000 0.773 41 Q CB 1.315 30.052 28.738 -0.002 0.000 1.508 41 Q HN 0.244 nan 8.270 nan 0.000 0.459 42 T N -1.208 113.362 114.554 0.027 0.000 2.855 42 T HA 0.065 4.416 4.350 0.001 0.000 0.314 42 T C 1.353 176.054 174.700 0.002 0.000 1.077 42 T CA -0.312 61.800 62.100 0.020 0.000 1.095 42 T CB 0.323 69.203 68.868 0.020 0.000 0.987 42 T HN 0.500 nan 8.240 nan 0.000 0.546 43 L N 1.416 122.639 121.223 -0.001 0.000 2.079 43 L HA -0.095 4.246 4.340 0.001 0.000 0.210 43 L C 2.380 179.234 176.870 -0.027 0.000 1.081 43 L CA 2.307 57.139 54.840 -0.015 0.000 0.752 43 L CB -1.111 40.941 42.059 -0.011 0.000 0.896 43 L HN 0.922 nan 8.230 nan 0.000 0.433 44 D N -0.616 119.772 120.400 -0.020 0.000 2.133 44 D HA -0.291 4.350 4.640 0.001 0.000 0.195 44 D C 1.824 178.100 176.300 -0.039 0.000 0.997 44 D CA 1.874 55.858 54.000 -0.028 0.000 0.840 44 D CB -0.335 40.455 40.800 -0.017 0.000 0.947 44 D HN 0.433 nan 8.370 nan 0.000 0.452 45 K N 0.012 120.392 120.400 -0.034 0.000 2.044 45 K HA -0.048 4.272 4.320 0.001 0.000 0.204 45 K C 2.563 179.124 176.600 -0.066 0.000 1.049 45 K CA 1.656 57.916 56.287 -0.045 0.000 0.945 45 K CB -0.250 32.233 32.500 -0.030 0.000 0.724 45 K HN 0.353 nan 8.250 nan 0.000 0.440 46 T N 0.469 114.988 114.554 -0.059 0.000 2.833 46 T HA -0.128 4.222 4.350 0.001 0.000 0.269 46 T C 1.879 176.529 174.700 -0.084 0.000 1.054 46 T CA 0.853 62.910 62.100 -0.072 0.000 1.135 46 T CB -0.256 68.580 68.868 -0.054 0.000 0.869 46 T HN 0.042 nan 8.240 nan 0.000 0.466 47 L N 1.002 122.179 121.223 -0.077 0.000 1.994 47 L HA 0.182 4.523 4.340 0.001 0.000 0.208 47 L C 2.423 179.223 176.870 -0.116 0.000 1.071 47 L CA 1.426 56.212 54.840 -0.090 0.000 0.745 47 L CB -0.743 41.268 42.059 -0.079 0.000 0.892 47 L HN 0.286 nan 8.230 nan 0.000 0.431 48 I N 0.085 120.587 120.570 -0.114 0.000 2.208 48 I HA -0.349 3.822 4.170 0.001 0.000 0.245 48 I C 2.134 178.123 176.117 -0.213 0.000 1.097 48 I CA 1.355 62.569 61.300 -0.143 0.000 1.363 48 I CB -0.561 37.373 38.000 -0.110 0.000 1.051 48 I HN 0.412 nan 8.210 nan 0.000 0.413 49 N N 1.110 119.692 118.700 -0.195 0.000 2.069 49 N HA -0.146 4.595 4.740 0.001 0.000 0.191 49 N C 1.900 177.252 175.510 -0.263 0.000 1.031 49 N CA 1.725 54.627 53.050 -0.246 0.000 0.852 49 N CB -0.981 37.404 38.487 -0.170 0.000 1.018 49 N HN 0.444 nan 8.380 nan 0.000 0.423 50 G N 1.422 110.114 108.800 -0.180 0.000 2.421 50 G HA2 -0.170 3.790 3.960 0.001 0.000 0.216 50 G HA3 -0.170 3.790 3.960 0.001 0.000 0.216 50 G C 1.693 176.488 174.900 -0.175 0.000 1.171 50 G CA 0.508 45.520 45.100 -0.147 0.000 0.775 50 G HN 0.240 nan 8.290 nan 0.000 0.543 51 L N 0.191 121.301 121.223 -0.190 0.000 2.083 51 L HA -0.093 4.248 4.340 0.001 0.000 0.209 51 L C 2.681 179.395 176.870 -0.260 0.000 1.083 51 L CA 1.183 55.910 54.840 -0.189 0.000 0.752 51 L CB -0.566 41.394 42.059 -0.165 0.000 0.899 51 L HN 0.279 nan 8.230 nan 0.000 0.433 52 N N -0.579 117.864 118.700 -0.430 0.000 2.069 52 N HA -0.183 4.558 4.740 0.001 0.000 0.191 52 N C 1.850 176.957 175.510 -0.671 0.000 1.031 52 N CA 1.220 53.800 53.050 -0.783 0.000 0.852 52 N CB -0.064 37.485 38.487 -1.563 0.000 1.018 52 N HN 0.041 nan 8.380 nan 0.000 0.423 53 V N 0.732 120.363 119.914 -0.471 0.000 2.295 53 V HA -0.301 3.820 4.120 0.001 0.000 0.246 53 V C 2.402 178.452 176.094 -0.073 0.000 1.049 53 V CA 1.397 63.606 62.300 -0.151 0.000 1.024 53 V CB -0.528 31.240 31.823 -0.092 0.000 0.648 53 V HN 0.521 nan 8.190 nan 0.000 0.447 54 C N -0.724 118.521 119.300 -0.091 0.000 2.429 54 C HA -0.187 4.273 4.460 0.001 0.000 0.277 54 C C 2.843 177.821 174.990 -0.019 0.000 1.262 54 C CA 1.467 60.462 59.018 -0.037 0.000 1.733 54 C CB -0.951 26.759 27.740 -0.051 0.000 2.010 54 C HN 0.673 nan 8.230 nan 0.000 0.483 55 Q N 1.025 120.793 119.800 -0.053 0.000 2.050 55 Q HA -0.240 4.101 4.340 0.001 0.000 0.202 55 Q C 2.273 178.293 176.000 0.034 0.000 0.980 55 Q CA 1.740 57.532 55.803 -0.018 0.000 0.840 55 Q CB -0.172 28.541 28.738 -0.042 0.000 0.898 55 Q HN 0.648 nan 8.270 nan 0.000 0.424 56 K N -0.063 120.378 120.400 0.069 0.000 2.097 56 K HA -0.079 4.242 4.320 0.001 0.000 0.206 56 K C 1.698 178.345 176.600 0.078 0.000 1.049 56 K CA 1.022 57.384 56.287 0.125 0.000 0.933 56 K CB 0.039 32.698 32.500 0.266 0.000 0.717 56 K HN 0.272 nan 8.250 nan 0.000 0.442 57 L N 0.790 122.045 121.223 0.053 0.000 2.591 57 L HA 0.082 4.423 4.340 0.001 0.000 0.228 57 L C -0.239 176.744 176.870 0.188 0.000 1.133 57 L CA 0.201 55.081 54.840 0.066 0.000 0.880 57 L CB -0.154 41.852 42.059 -0.090 0.000 1.033 57 L HN 0.251 nan 8.230 nan 0.000 0.450 58 E N 0.717 120.985 120.200 0.113 0.000 2.360 58 E HA -0.230 4.120 4.350 0.001 0.000 0.238 58 E C -0.101 176.561 176.600 0.103 0.000 1.186 58 E CA 0.242 56.697 56.400 0.093 0.000 0.719 58 E CB -1.397 28.356 29.700 0.088 0.000 1.236 58 E HN 0.475 nan 8.360 nan 0.000 0.386 59 I N 1.385 122.018 120.570 0.105 0.000 2.337 59 I HA 0.035 4.205 4.170 0.001 0.000 0.291 59 I C 1.251 177.391 176.117 0.039 0.000 1.046 59 I CA -0.174 61.183 61.300 0.095 0.000 1.324 59 I CB 0.597 38.665 38.000 0.112 0.000 1.409 59 I HN 0.095 nan 8.210 nan 0.000 0.494 60 N N 5.312 124.029 118.700 0.029 0.000 2.268 60 N HA 0.073 4.814 4.740 0.001 0.000 0.204 60 N C -0.020 175.486 175.510 -0.006 0.000 1.124 60 N CA 0.067 53.120 53.050 0.004 0.000 0.838 60 N CB 0.455 38.945 38.487 0.005 0.000 0.994 60 N HN 0.270 nan 8.380 nan 0.000 0.489 61 V N 3.788 123.704 119.914 0.005 0.000 2.655 61 V HA 0.085 4.206 4.120 0.001 0.000 0.300 61 V C -1.696 174.368 176.094 -0.050 0.000 1.044 61 V CA -1.078 61.225 62.300 0.005 0.000 1.095 61 V CB 0.561 32.406 31.823 0.036 0.000 0.952 61 V HN 0.115 nan 8.190 nan 0.000 0.485 62 P HA 0.151 nan 4.420 nan 0.000 0.268 62 P C -0.832 176.274 177.300 -0.324 0.000 1.205 62 P CA 0.052 62.998 63.100 -0.256 0.000 0.771 62 P CB 0.778 32.306 31.700 -0.287 0.000 0.858 63 V N 4.590 124.234 119.914 -0.451 0.000 2.417 63 V HA 0.312 4.433 4.120 0.001 0.000 0.291 63 V C -0.476 175.290 176.094 -0.547 0.000 1.024 63 V CA -0.465 61.636 62.300 -0.331 0.000 0.861 63 V CB 0.794 32.498 31.823 -0.198 0.000 0.985 63 V HN 0.396 nan 8.190 nan 0.000 0.436 64 Y N 2.342 122.521 120.300 -0.202 0.000 2.364 64 Y HA 0.712 5.262 4.550 0.001 0.000 0.340 64 Y C 0.506 176.307 175.900 -0.165 0.000 0.975 64 Y CA -0.738 57.247 58.100 -0.193 0.000 1.089 64 Y CB 1.791 40.113 38.460 -0.230 0.000 1.192 64 Y HN 0.699 nan 8.280 nan 0.000 0.454 65 A N 2.223 125.003 122.820 -0.067 0.000 2.366 65 A HA 0.671 4.992 4.320 0.001 0.000 0.272 65 A C 0.563 177.954 177.584 -0.321 0.000 1.135 65 A CA 0.406 52.361 52.037 -0.137 0.000 0.804 65 A CB -0.000 18.926 19.000 -0.122 0.000 1.064 65 A HN 0.947 nan 8.150 nan 0.000 0.499 66 G N 1.387 110.022 108.800 -0.275 0.000 3.310 66 G HA2 0.479 4.440 3.960 0.001 0.000 0.176 66 G HA3 0.479 4.440 3.960 0.001 0.000 0.176 66 G C 0.087 174.908 174.900 -0.130 0.000 1.307 66 G CA -0.682 44.187 45.100 -0.385 0.000 0.935 66 G HN 0.531 nan 8.290 nan 0.000 0.628 67 M N 2.600 122.235 119.600 0.058 0.000 2.268 67 M HA 0.180 4.660 4.480 0.001 0.000 0.349 67 M C -1.566 174.763 176.300 0.048 0.000 1.485 67 M CA -2.245 53.120 55.300 0.108 0.000 1.094 67 M CB 1.040 33.690 32.600 0.083 0.000 1.843 67 M HN 0.227 nan 8.290 nan 0.000 0.460 68 P HA 0.034 nan 4.420 nan 0.000 0.245 68 P C -0.258 177.054 177.300 0.021 0.000 1.203 68 P CA 0.725 63.843 63.100 0.029 0.000 0.792 68 P CB 0.785 32.507 31.700 0.035 0.000 0.997 69 Q N -0.035 119.777 119.800 0.019 0.000 2.456 69 Q HA 0.437 4.777 4.340 0.001 0.000 0.284 69 Q C -2.750 173.244 176.000 -0.010 0.000 1.061 69 Q CA -2.392 53.413 55.803 0.003 0.000 0.799 69 Q CB 2.617 31.358 28.738 0.005 0.000 1.445 69 Q HN -0.046 nan 8.270 nan 0.000 0.411 70 P HA 0.073 nan 4.420 nan 0.000 0.274 70 P C 0.595 177.875 177.300 -0.033 0.000 1.246 70 P CA -0.050 63.019 63.100 -0.051 0.000 0.795 70 P CB 0.538 32.183 31.700 -0.092 0.000 1.006 71 I N -2.016 118.534 120.570 -0.033 0.000 2.493 71 I HA -0.122 4.049 4.170 0.001 0.000 0.254 71 I C 1.703 177.810 176.117 -0.018 0.000 1.160 71 I CA 1.791 63.078 61.300 -0.021 0.000 1.445 71 I CB -0.261 37.728 38.000 -0.018 0.000 1.086 71 I HN 0.187 nan 8.210 nan 0.000 0.433 72 M N 0.648 120.235 119.600 -0.021 0.000 2.069 72 M HA 0.211 4.691 4.480 0.001 0.000 0.208 72 M C 0.706 177.000 176.300 -0.011 0.000 1.459 72 M CA -0.121 55.172 55.300 -0.010 0.000 0.992 72 M CB 0.631 33.233 32.600 0.002 0.000 1.566 72 M HN 0.182 nan 8.290 nan 0.000 0.571 73 R N 1.327 121.818 120.500 -0.016 0.000 2.649 73 R HA 0.260 4.601 4.340 0.001 0.000 0.270 73 R C -0.131 176.151 176.300 -0.030 0.000 1.105 73 R CA -0.433 55.660 56.100 -0.013 0.000 1.193 73 R CB 0.131 30.429 30.300 -0.002 0.000 1.120 73 R HN 0.151 nan 8.270 nan 0.000 0.561 74 Q N 1.168 120.953 119.800 -0.026 0.000 2.313 74 Q HA -0.048 4.293 4.340 0.001 0.000 0.266 74 Q C -0.589 175.393 176.000 -0.030 0.000 0.989 74 Q CA 0.079 55.871 55.803 -0.018 0.000 0.890 74 Q CB 0.963 29.698 28.738 -0.004 0.000 1.200 74 Q HN 0.581 nan 8.270 nan 0.000 0.396 75 Q N 3.539 123.328 119.800 -0.018 0.000 2.330 75 Q HA 0.235 4.575 4.340 0.001 0.000 0.279 75 Q C -0.792 175.213 176.000 0.009 0.000 1.024 75 Q CA -0.046 55.745 55.803 -0.020 0.000 0.900 75 Q CB 0.359 29.099 28.738 0.003 0.000 1.221 75 Q HN 0.684 nan 8.270 nan 0.000 0.396 76 I N 1.012 121.578 120.570 -0.007 0.000 2.693 76 I HA 0.730 4.901 4.170 0.001 0.000 0.303 76 I C -0.488 175.731 176.117 0.169 0.000 1.025 76 I CA -1.225 60.126 61.300 0.086 0.000 1.086 76 I CB 1.722 39.760 38.000 0.063 0.000 1.268 76 I HN 0.384 nan 8.210 nan 0.000 0.440 77 V N 0.944 121.012 119.914 0.257 0.000 3.113 77 V HA 0.919 5.040 4.120 0.001 0.000 0.316 77 V C 0.165 176.430 176.094 0.285 0.000 1.125 77 V CA -0.573 61.893 62.300 0.277 0.000 1.026 77 V CB 1.606 33.527 31.823 0.163 0.000 1.080 77 V HN 1.057 nan 8.190 nan 0.000 0.444 78 A N 1.122 123.961 122.820 0.031 0.000 3.249 78 A HA 0.470 4.791 4.320 0.001 0.000 0.297 78 A C 0.648 178.320 177.584 0.147 0.000 1.302 78 A CA 0.123 52.143 52.037 -0.029 0.000 1.074 78 A CB -1.013 17.640 19.000 -0.577 0.000 1.132 78 A HN 1.006 nan 8.150 nan 0.000 0.575 79 D N 0.417 120.917 120.400 0.166 0.000 2.347 79 D HA -0.172 4.468 4.640 0.001 0.000 0.215 79 D C 1.129 177.513 176.300 0.141 0.000 0.976 79 D CA 0.790 54.883 54.000 0.156 0.000 0.884 79 D CB -0.271 40.606 40.800 0.129 0.000 0.915 79 D HN 0.537 nan 8.370 nan 0.000 0.526 80 N N 1.686 120.453 118.700 0.112 0.000 2.058 80 N HA -0.167 4.574 4.740 0.001 0.000 0.191 80 N C 1.655 177.171 175.510 0.010 0.000 1.037 80 N CA 0.928 54.007 53.050 0.049 0.000 0.848 80 N CB -0.257 38.237 38.487 0.012 0.000 1.021 80 N HN 0.199 nan 8.380 nan 0.000 0.422 81 I N 1.014 121.557 120.570 -0.045 0.000 2.400 81 I HA -0.070 4.101 4.170 0.001 0.000 0.248 81 I C 1.933 177.978 176.117 -0.120 0.000 1.109 81 I CA 1.006 62.174 61.300 -0.221 0.000 1.425 81 I CB -1.224 36.499 38.000 -0.462 0.000 1.094 81 I HN 0.212 nan 8.210 nan 0.000 0.425 82 H N 0.785 119.992 119.070 0.228 0.000 2.563 82 H HA 0.320 4.877 4.556 0.001 0.000 0.264 82 H C 1.346 176.844 175.328 0.284 0.000 0.957 82 H CA 0.862 57.118 56.048 0.347 0.000 1.173 82 H CB 0.614 30.496 29.762 0.200 0.000 1.420 82 H HN 0.367 nan 8.280 nan 0.000 0.551 83 G N 1.341 110.342 108.800 0.336 0.000 2.660 83 G HA2 -0.305 3.655 3.960 0.001 0.000 0.215 83 G HA3 -0.305 3.655 3.960 0.001 0.000 0.215 83 G C 0.405 175.379 174.900 0.123 0.000 1.345 83 G CA 0.159 45.400 45.100 0.234 0.000 0.877 83 G HN 0.313 nan 8.290 nan 0.000 0.549 84 D N -0.654 119.789 120.400 0.071 0.000 2.084 84 D HA -0.103 4.538 4.640 0.001 0.000 0.194 84 D C 2.806 179.119 176.300 0.020 0.000 0.990 84 D CA 3.318 57.345 54.000 0.045 0.000 0.826 84 D CB -0.473 40.347 40.800 0.032 0.000 0.971 84 D HN 0.916 nan 8.370 nan 0.000 0.453 85 T N -3.470 111.075 114.554 -0.014 0.000 2.985 85 T HA 0.212 4.563 4.350 0.001 0.000 0.266 85 T C 1.736 176.416 174.700 -0.033 0.000 1.076 85 T CA 1.543 63.625 62.100 -0.030 0.000 1.135 85 T CB 0.122 68.958 68.868 -0.053 0.000 0.890 85 T HN 0.288 nan 8.240 nan 0.000 0.480 86 G N 0.671 109.465 108.800 -0.010 0.000 2.194 86 G HA2 -0.141 3.820 3.960 0.001 0.000 0.236 86 G HA3 -0.141 3.820 3.960 0.001 0.000 0.236 86 G C 0.146 174.998 174.900 -0.080 0.000 0.987 86 G CA 0.185 45.289 45.100 0.005 0.000 0.635 86 G HN 0.950 nan 8.290 nan 0.000 0.520 87 L N 1.573 122.680 121.223 -0.193 0.000 2.869 87 L HA 0.466 4.807 4.340 0.001 0.000 0.320 87 L C -0.498 176.168 176.870 -0.341 0.000 1.306 87 L CA -0.661 53.908 54.840 -0.452 0.000 0.731 87 L CB 0.401 42.301 42.059 -0.266 0.000 1.123 87 L HN 0.038 nan 8.230 nan 0.000 0.553 88 D N 0.662 120.817 120.400 -0.408 0.000 2.443 88 D HA 0.579 5.220 4.640 0.001 0.000 0.239 88 D C 1.093 177.102 176.300 -0.486 0.000 1.136 88 D CA 1.520 55.145 54.000 -0.625 0.000 0.879 88 D CB 1.178 41.186 40.800 -1.319 0.000 1.195 88 D HN 0.526 nan 8.370 nan 0.000 0.443 89 G N 1.826 110.476 108.800 -0.251 0.000 1.801 89 G HA2 -0.129 3.832 3.960 0.001 0.000 0.203 89 G HA3 -0.129 3.832 3.960 0.001 0.000 0.203 89 G C -2.339 172.501 174.900 -0.099 0.000 2.274 89 G CA -0.566 44.509 45.100 -0.041 0.000 1.481 89 G HN 0.582 nan 8.290 nan 0.000 0.471 90 P HA 0.504 nan 4.420 nan 0.000 0.276 90 P C 0.083 177.065 177.300 -0.530 0.000 1.235 90 P CA 0.120 62.985 63.100 -0.392 0.000 0.772 90 P CB 1.395 32.758 31.700 -0.562 0.000 0.871 91 V N 1.325 120.971 119.914 -0.447 0.000 2.461 91 V HA 0.471 4.592 4.120 0.001 0.000 0.275 91 V C -0.315 175.501 176.094 -0.463 0.000 1.047 91 V CA -0.508 61.597 62.300 -0.325 0.000 0.955 91 V CB -0.373 31.358 31.823 -0.154 0.000 0.988 91 V HN 0.193 nan 8.190 nan 0.000 0.471 92 F N 1.793 121.721 119.950 -0.037 0.000 2.458 92 F HA 0.564 5.091 4.527 0.001 0.000 0.330 92 F C 0.923 176.707 175.800 -0.027 0.000 1.082 92 F CA -0.799 57.181 58.000 -0.034 0.000 0.995 92 F CB 1.034 40.009 39.000 -0.043 0.000 1.170 92 F HN 0.502 nan 8.300 nan 0.000 0.478 93 E N 1.871 122.172 120.200 0.169 0.000 2.442 93 E HA 0.054 4.405 4.350 0.001 0.000 0.260 93 E C -2.199 174.450 176.600 0.081 0.000 1.148 93 E CA -1.207 55.248 56.400 0.091 0.000 0.976 93 E CB -0.171 29.570 29.700 0.069 0.000 0.967 93 E HN 0.239 nan 8.360 nan 0.000 0.454 94 P HA -0.046 nan 4.420 nan 0.000 0.262 94 P C -0.290 177.017 177.300 0.012 0.000 1.182 94 P CA -0.097 63.017 63.100 0.025 0.000 0.761 94 P CB 0.217 31.925 31.700 0.013 0.000 0.795 95 L N 4.346 125.565 121.223 -0.007 0.000 2.418 95 L HA 0.145 4.486 4.340 0.001 0.000 0.274 95 L C 1.192 178.043 176.870 -0.033 0.000 1.135 95 L CA 1.035 55.854 54.840 -0.035 0.000 0.870 95 L CB 0.037 42.056 42.059 -0.065 0.000 1.154 95 L HN 0.528 nan 8.230 nan 0.000 0.462 96 T N 1.285 115.819 114.554 -0.032 0.000 2.969 96 T HA 0.172 4.523 4.350 0.001 0.000 0.250 96 T C 0.783 175.457 174.700 -0.043 0.000 1.021 96 T CA -0.094 61.988 62.100 -0.031 0.000 1.003 96 T CB -0.086 68.770 68.868 -0.020 0.000 1.040 96 T HN 0.606 nan 8.240 nan 0.000 0.492 97 R N 2.045 122.512 120.500 -0.054 0.000 2.528 97 R HA 0.589 4.929 4.340 0.001 0.000 0.271 97 R C -0.303 175.947 176.300 -0.084 0.000 1.056 97 R CA -0.679 55.381 56.100 -0.067 0.000 1.117 97 R CB 0.572 30.830 30.300 -0.070 0.000 1.085 97 R HN 0.488 nan 8.270 nan 0.000 0.530 98 Q N 1.503 121.246 119.800 -0.095 0.000 2.501 98 Q HA 0.621 4.962 4.340 0.001 0.000 0.288 98 Q C -1.267 174.648 176.000 -0.142 0.000 1.051 98 Q CA -1.320 54.420 55.803 -0.105 0.000 0.788 98 Q CB 1.761 30.448 28.738 -0.084 0.000 1.469 98 Q HN 0.725 nan 8.270 nan 0.000 0.416 99 A N 1.152 123.883 122.820 -0.148 0.000 2.366 99 A HA 0.257 4.578 4.320 0.001 0.000 0.249 99 A C 0.060 177.510 177.584 -0.224 0.000 1.084 99 A CA -0.381 51.535 52.037 -0.202 0.000 0.794 99 A CB 0.167 19.070 19.000 -0.162 0.000 1.034 99 A HN 0.627 nan 8.150 nan 0.000 0.491 100 E N 0.632 120.614 120.200 -0.364 0.000 2.408 100 E HA 0.088 4.439 4.350 0.001 0.000 0.259 100 E C 1.395 177.910 176.600 -0.141 0.000 1.110 100 E CA 0.710 56.917 56.400 -0.321 0.000 0.929 100 E CB 0.573 29.895 29.700 -0.630 0.000 0.971 100 E HN 0.726 nan 8.360 nan 0.000 0.438 101 S N 0.029 115.698 115.700 -0.052 0.000 2.461 101 S HA -0.042 4.429 4.470 0.001 0.000 0.228 101 S C 0.849 175.497 174.600 0.080 0.000 1.005 101 S CA 0.234 58.440 58.200 0.011 0.000 0.942 101 S CB -0.112 63.098 63.200 0.016 0.000 0.776 101 S HN 0.348 nan 8.310 nan 0.000 0.514 102 T N 3.503 118.146 114.554 0.149 0.000 2.870 102 T HA 0.093 4.444 4.350 0.001 0.000 0.300 102 T C -0.038 174.833 174.700 0.285 0.000 0.989 102 T CA -0.206 62.040 62.100 0.243 0.000 1.139 102 T CB 0.159 69.224 68.868 0.329 0.000 0.920 102 T HN 0.373 nan 8.240 nan 0.000 0.537 103 H N 2.282 121.438 119.070 0.144 0.000 3.001 103 H HA 0.096 4.653 4.556 0.001 0.000 0.334 103 H C 1.403 176.819 175.328 0.146 0.000 1.034 103 H CA 0.274 56.395 56.048 0.122 0.000 1.420 103 H CB 0.711 30.515 29.762 0.070 0.000 1.405 103 H HN 0.813 nan 8.280 nan 0.000 0.593 104 A N 5.057 127.854 122.820 -0.039 0.000 1.927 104 A HA -0.181 4.140 4.320 0.001 0.000 0.220 104 A C 2.600 180.287 177.584 0.171 0.000 1.185 104 A CA 1.881 53.964 52.037 0.077 0.000 0.639 104 A CB -0.716 18.282 19.000 -0.003 0.000 0.820 104 A HN 0.564 nan 8.150 nan 0.000 0.451 105 V N -0.098 120.026 119.914 0.349 0.000 2.358 105 V HA -0.256 3.864 4.120 0.001 0.000 0.246 105 V C 2.534 178.694 176.094 0.110 0.000 1.047 105 V CA 2.392 64.821 62.300 0.215 0.000 1.035 105 V CB -0.606 31.334 31.823 0.195 0.000 0.658 105 V HN 0.698 nan 8.190 nan 0.000 0.452 106 K N -0.788 119.698 120.400 0.144 0.000 2.057 106 K HA -0.237 4.084 4.320 0.001 0.000 0.206 106 K C 2.277 178.887 176.600 0.017 0.000 1.050 106 K CA 1.820 58.146 56.287 0.065 0.000 0.935 106 K CB -0.362 32.192 32.500 0.090 0.000 0.715 106 K HN 0.513 nan 8.250 nan 0.000 0.439 107 Y N 1.575 121.805 120.300 -0.115 0.000 2.128 107 Y HA -0.244 4.306 4.550 0.001 0.000 0.284 107 Y C 1.718 177.480 175.900 -0.229 0.000 1.154 107 Y CA 1.784 59.705 58.100 -0.299 0.000 1.149 107 Y CB -0.276 37.698 38.460 -0.809 0.000 0.976 107 Y HN 0.026 nan 8.280 nan 0.000 0.505 108 I N -0.138 120.239 120.570 -0.321 0.000 2.127 108 I HA -0.354 3.817 4.170 0.001 0.000 0.241 108 I C 2.394 178.353 176.117 -0.264 0.000 1.075 108 I CA 1.835 62.941 61.300 -0.322 0.000 1.334 108 I CB -0.475 37.464 38.000 -0.102 0.000 1.040 108 I HN 0.242 nan 8.210 nan 0.000 0.405 109 I N 0.625 121.101 120.570 -0.157 0.000 2.099 109 I HA -0.335 3.836 4.170 0.001 0.000 0.239 109 I C 2.148 178.179 176.117 -0.144 0.000 1.066 109 I CA 1.574 62.803 61.300 -0.118 0.000 1.324 109 I CB -0.582 37.378 38.000 -0.067 0.000 1.037 109 I HN 0.237 nan 8.210 nan 0.000 0.401 110 D N 0.386 120.693 120.400 -0.155 0.000 2.123 110 D HA -0.146 4.494 4.640 0.001 0.000 0.196 110 D C 2.244 178.434 176.300 -0.184 0.000 0.992 110 D CA 1.663 55.583 54.000 -0.134 0.000 0.833 110 D CB -0.459 40.286 40.800 -0.092 0.000 0.954 110 D HN 0.303 nan 8.370 nan 0.000 0.455 111 T N 0.878 115.231 114.554 -0.335 0.000 2.777 111 T HA -0.032 4.319 4.350 0.001 0.000 0.266 111 T C 2.241 176.813 174.700 -0.213 0.000 1.040 111 T CA 0.507 62.402 62.100 -0.343 0.000 1.141 111 T CB -0.225 68.243 68.868 -0.667 0.000 0.868 111 T HN 0.106 nan 8.240 nan 0.000 0.444 112 L N 0.283 121.383 121.223 -0.204 0.000 2.056 112 L HA -0.062 4.279 4.340 0.001 0.000 0.207 112 L C 2.728 179.544 176.870 -0.091 0.000 1.078 112 L CA 0.845 55.609 54.840 -0.127 0.000 0.749 112 L CB -0.522 41.468 42.059 -0.114 0.000 0.901 112 L HN 0.222 nan 8.230 nan 0.000 0.433 113 M N -0.406 119.140 119.600 -0.089 0.000 2.159 113 M HA -0.141 4.340 4.480 0.001 0.000 0.263 113 M C 2.358 178.627 176.300 -0.052 0.000 1.063 113 M CA 1.793 57.056 55.300 -0.062 0.000 1.110 113 M CB -1.315 31.252 32.600 -0.056 0.000 1.374 113 M HN 0.279 nan 8.290 nan 0.000 0.411 114 A N -0.026 122.758 122.820 -0.060 0.000 2.169 114 A HA 0.079 4.399 4.320 0.001 0.000 0.212 114 A C 1.450 179.012 177.584 -0.037 0.000 1.153 114 A CA 0.626 52.637 52.037 -0.043 0.000 0.756 114 A CB -0.474 18.501 19.000 -0.041 0.000 0.813 114 A HN 0.524 nan 8.150 nan 0.000 0.471 115 S N -0.511 115.162 115.700 -0.046 0.000 2.655 115 S HA 0.288 4.758 4.470 0.001 0.000 0.265 115 S C -0.111 174.474 174.600 -0.025 0.000 1.240 115 S CA -0.262 57.917 58.200 -0.035 0.000 0.986 115 S CB 0.649 63.823 63.200 -0.044 0.000 0.985 115 S HN 0.212 nan 8.310 nan 0.000 0.562 116 D N -0.106 120.284 120.400 -0.018 0.000 2.427 116 D HA 0.290 4.930 4.640 0.001 0.000 0.224 116 D C 1.198 177.490 176.300 -0.013 0.000 1.157 116 D CA 0.755 54.747 54.000 -0.013 0.000 0.828 116 D CB -0.100 40.695 40.800 -0.008 0.000 0.974 116 D HN 0.962 nan 8.370 nan 0.000 0.498 117 G N 2.460 111.249 108.800 -0.018 0.000 2.141 117 G HA2 -0.267 3.694 3.960 0.001 0.000 0.242 117 G HA3 -0.267 3.694 3.960 0.001 0.000 0.242 117 G C 0.568 175.462 174.900 -0.011 0.000 0.982 117 G CA 0.380 45.470 45.100 -0.017 0.000 0.662 117 G HN 0.390 nan 8.290 nan 0.000 0.527 118 D N -0.242 120.153 120.400 -0.008 0.000 2.349 118 D HA 0.197 4.838 4.640 0.001 0.000 0.214 118 D C 1.024 177.326 176.300 0.004 0.000 1.063 118 D CA -0.288 53.712 54.000 0.000 0.000 0.847 118 D CB 0.077 40.880 40.800 0.004 0.000 0.933 118 D HN 0.492 nan 8.370 nan 0.000 0.513 119 I N 0.943 121.510 120.570 -0.006 0.000 2.428 119 I HA 0.156 4.327 4.170 0.001 0.000 0.289 119 I C 0.084 176.201 176.117 -0.000 0.000 1.019 119 I CA -0.209 61.090 61.300 -0.003 0.000 1.351 119 I CB 1.543 39.529 38.000 -0.023 0.000 1.412 119 I HN -0.259 nan 8.210 nan 0.000 0.513 120 T N 7.042 121.606 114.554 0.016 0.000 2.794 120 T HA 0.507 4.857 4.350 0.001 0.000 0.280 120 T C -0.074 174.637 174.700 0.020 0.000 0.987 120 T CA -0.551 61.561 62.100 0.021 0.000 0.993 120 T CB 0.883 69.778 68.868 0.045 0.000 0.939 120 T HN 0.265 nan 8.240 nan 0.000 0.449 121 L N 3.002 124.227 121.223 0.005 0.000 2.326 121 L HA 0.531 4.872 4.340 0.001 0.000 0.278 121 L C -0.277 176.604 176.870 0.017 0.000 1.092 121 L CA -0.864 53.980 54.840 0.007 0.000 0.810 121 L CB 1.056 43.106 42.059 -0.016 0.000 1.153 121 L HN 0.345 nan 8.230 nan 0.000 0.439 122 V N 3.760 123.695 119.914 0.035 0.000 2.266 122 V HA 0.257 4.378 4.120 0.001 0.000 0.266 122 V C -2.361 173.758 176.094 0.042 0.000 1.036 122 V CA -1.430 60.897 62.300 0.045 0.000 0.828 122 V CB 0.894 32.760 31.823 0.071 0.000 1.081 122 V HN 0.597 nan 8.190 nan 0.000 0.449 123 P HA 0.260 nan 4.420 nan 0.000 0.287 123 P C 0.377 177.701 177.300 0.039 0.000 1.294 123 P CA -0.087 63.029 63.100 0.026 0.000 0.776 123 P CB 1.499 33.202 31.700 0.005 0.000 0.889 124 V N 0.874 120.819 119.914 0.052 0.000 3.159 124 V HA 0.633 4.754 4.120 0.001 0.000 0.333 124 V C 0.397 176.534 176.094 0.072 0.000 1.424 124 V CA 0.105 62.447 62.300 0.069 0.000 1.125 124 V CB 0.322 32.197 31.823 0.087 0.000 1.075 124 V HN 0.499 nan 8.190 nan 0.000 0.482 125 G N 0.161 108.995 108.800 0.056 0.000 3.211 125 G HA2 0.724 4.685 3.960 0.001 0.000 0.262 125 G HA3 0.724 4.685 3.960 0.001 0.000 0.262 125 G C -3.264 171.652 174.900 0.026 0.000 1.352 125 G CA -2.013 43.123 45.100 0.061 0.000 1.004 125 G HN 0.184 nan 8.290 nan 0.000 0.559 126 P HA 0.148 nan 4.420 nan 0.000 0.269 126 P C 0.440 177.716 177.300 -0.039 0.000 1.217 126 P CA -0.013 63.039 63.100 -0.079 0.000 0.783 126 P CB 0.670 32.290 31.700 -0.133 0.000 0.898 127 L N 0.815 122.013 121.223 -0.043 0.000 2.629 127 L HA -0.001 4.340 4.340 0.001 0.000 0.230 127 L C 1.797 178.656 176.870 -0.018 0.000 1.151 127 L CA 0.368 55.197 54.840 -0.019 0.000 0.924 127 L CB -0.595 41.462 42.059 -0.002 0.000 1.137 127 L HN 0.360 nan 8.230 nan 0.000 0.457 128 S N 0.482 116.167 115.700 -0.025 0.000 2.368 128 S HA -0.217 4.254 4.470 0.001 0.000 0.226 128 S C 1.711 176.317 174.600 0.011 0.000 1.044 128 S CA 1.769 59.961 58.200 -0.013 0.000 1.062 128 S CB -0.289 62.902 63.200 -0.015 0.000 0.931 128 S HN 0.544 nan 8.310 nan 0.000 0.440 129 N N 1.413 120.127 118.700 0.023 0.000 2.104 129 N HA -0.042 4.699 4.740 0.001 0.000 0.190 129 N C 1.635 177.160 175.510 0.025 0.000 1.024 129 N CA 1.073 54.149 53.050 0.043 0.000 0.853 129 N CB -0.507 38.008 38.487 0.046 0.000 1.008 129 N HN 0.313 nan 8.380 nan 0.000 0.424 130 I N 0.985 121.559 120.570 0.007 0.000 2.202 130 I HA -0.118 4.053 4.170 0.001 0.000 0.242 130 I C 2.316 178.425 176.117 -0.013 0.000 1.091 130 I CA 0.741 62.036 61.300 -0.009 0.000 1.368 130 I CB -1.643 36.343 38.000 -0.023 0.000 1.058 130 I HN -0.001 nan 8.210 nan 0.000 0.410 131 A N 0.842 123.656 122.820 -0.010 0.000 1.902 131 A HA -0.108 4.213 4.320 0.001 0.000 0.217 131 A C 2.563 180.142 177.584 -0.008 0.000 1.181 131 A CA 1.657 53.688 52.037 -0.010 0.000 0.623 131 A CB -0.932 18.063 19.000 -0.008 0.000 0.818 131 A HN 0.244 nan 8.150 nan 0.000 0.443 132 V N -0.130 119.784 119.914 -0.001 0.000 2.343 132 V HA -0.235 3.886 4.120 0.001 0.000 0.247 132 V C 3.053 179.143 176.094 -0.006 0.000 1.051 132 V CA 1.869 64.168 62.300 -0.002 0.000 1.036 132 V CB -1.240 30.589 31.823 0.010 0.000 0.654 132 V HN 0.612 nan 8.190 nan 0.000 0.451 133 A N -0.535 122.284 122.820 -0.002 0.000 1.877 133 A HA -0.256 4.065 4.320 0.001 0.000 0.216 133 A C 2.258 179.829 177.584 -0.022 0.000 1.186 133 A CA 2.293 54.323 52.037 -0.012 0.000 0.620 133 A CB -0.505 18.485 19.000 -0.016 0.000 0.822 133 A HN 0.486 nan 8.150 nan 0.000 0.443 134 M N -1.411 118.176 119.600 -0.022 0.000 2.117 134 M HA -0.134 4.347 4.480 0.001 0.000 0.262 134 M C 2.216 178.504 176.300 -0.019 0.000 1.065 134 M CA 1.260 56.546 55.300 -0.024 0.000 1.114 134 M CB -0.206 32.379 32.600 -0.024 0.000 1.361 134 M HN 0.214 nan 8.290 nan 0.000 0.408 135 R N -0.572 119.918 120.500 -0.016 0.000 2.173 135 R HA 0.107 4.448 4.340 0.001 0.000 0.208 135 R C 1.862 178.153 176.300 -0.016 0.000 1.035 135 R CA 0.752 56.843 56.100 -0.013 0.000 1.004 135 R CB -0.561 29.732 30.300 -0.010 0.000 0.917 135 R HN 0.461 nan 8.270 nan 0.000 0.462 136 M N 0.011 119.599 119.600 -0.019 0.000 2.236 136 M HA -0.093 4.388 4.480 0.001 0.000 0.266 136 M C 0.128 176.414 176.300 -0.023 0.000 1.070 136 M CA 1.445 56.732 55.300 -0.022 0.000 1.137 136 M CB 0.435 33.019 32.600 -0.027 0.000 1.378 136 M HN -0.189 nan 8.290 nan 0.000 0.426 137 Q N -0.002 119.783 119.800 -0.024 0.000 3.090 137 Q HA 0.304 4.645 4.340 0.001 0.000 0.241 137 Q C -2.357 173.627 176.000 -0.026 0.000 0.958 137 Q CA -2.043 53.744 55.803 -0.026 0.000 0.715 137 Q CB 0.930 29.649 28.738 -0.031 0.000 1.298 137 Q HN 0.055 nan 8.270 nan 0.000 0.468 138 P HA -0.135 nan 4.420 nan 0.000 0.222 138 P C 0.568 177.855 177.300 -0.022 0.000 1.142 138 P CA 1.390 64.478 63.100 -0.020 0.000 0.788 138 P CB 0.296 31.987 31.700 -0.015 0.000 0.767 139 A N -0.071 122.735 122.820 -0.023 0.000 2.172 139 A HA -0.128 4.193 4.320 0.001 0.000 0.216 139 A C 1.957 179.523 177.584 -0.030 0.000 1.154 139 A CA 0.906 52.929 52.037 -0.024 0.000 0.701 139 A CB -1.468 17.518 19.000 -0.023 0.000 0.789 139 A HN 0.391 nan 8.150 nan 0.000 0.465 140 I N -3.300 117.249 120.570 -0.035 0.000 2.676 140 I HA -0.128 4.043 4.170 0.001 0.000 0.259 140 I C 1.883 177.977 176.117 -0.039 0.000 1.194 140 I CA 0.774 62.048 61.300 -0.043 0.000 1.473 140 I CB -0.390 37.579 38.000 -0.053 0.000 1.096 140 I HN 0.187 nan 8.210 nan 0.000 0.443 141 L N 1.757 122.961 121.223 -0.033 0.000 1.971 141 L HA -0.116 4.225 4.340 0.001 0.000 0.215 141 L C 0.115 176.968 176.870 -0.028 0.000 1.072 141 L CA 1.869 56.691 54.840 -0.031 0.000 0.758 141 L CB -2.493 39.551 42.059 -0.025 0.000 0.889 141 L HN 0.299 nan 8.230 nan 0.000 0.433 142 P HA -0.126 nan 4.420 nan 0.000 0.230 142 P C 1.058 178.344 177.300 -0.022 0.000 1.158 142 P CA 1.099 64.186 63.100 -0.020 0.000 0.769 142 P CB -0.042 31.648 31.700 -0.017 0.000 0.807 143 K N -0.120 120.263 120.400 -0.028 0.000 2.296 143 K HA 0.094 4.414 4.320 0.001 0.000 0.200 143 K C 1.145 177.725 176.600 -0.032 0.000 1.048 143 K CA 0.210 56.478 56.287 -0.032 0.000 0.966 143 K CB -0.227 32.249 32.500 -0.041 0.000 0.754 143 K HN 0.320 nan 8.250 nan 0.000 0.466 144 I N 2.226 122.776 120.570 -0.034 0.000 2.436 144 I HA 0.057 4.228 4.170 0.001 0.000 0.289 144 I C 1.854 177.957 176.117 -0.023 0.000 1.083 144 I CA -0.067 61.213 61.300 -0.033 0.000 1.372 144 I CB 0.823 38.798 38.000 -0.041 0.000 1.408 144 I HN 0.037 nan 8.210 nan 0.000 0.516 145 R N 5.154 125.645 120.500 -0.014 0.000 2.081 145 R HA -0.016 4.324 4.340 0.001 0.000 0.235 145 R C 0.440 176.738 176.300 -0.002 0.000 1.131 145 R CA 1.425 57.523 56.100 -0.004 0.000 0.960 145 R CB 0.351 30.654 30.300 0.006 0.000 0.856 145 R HN 0.783 nan 8.270 nan 0.000 0.436 146 E N -1.083 119.115 120.200 -0.004 0.000 2.396 146 E HA 0.269 4.620 4.350 0.001 0.000 0.280 146 E C -1.730 174.857 176.600 -0.021 0.000 1.065 146 E CA -0.629 55.767 56.400 -0.006 0.000 0.831 146 E CB 1.323 31.041 29.700 0.029 0.000 1.272 146 E HN 0.128 nan 8.360 nan 0.000 0.443 147 I N 2.918 123.456 120.570 -0.052 0.000 2.382 147 I HA 0.318 4.489 4.170 0.001 0.000 0.286 147 I C -0.771 175.301 176.117 -0.076 0.000 1.002 147 I CA -0.960 60.299 61.300 -0.069 0.000 1.135 147 I CB 1.783 39.711 38.000 -0.120 0.000 1.288 147 I HN 0.208 nan 8.210 nan 0.000 0.448 148 V N 7.401 127.293 119.914 -0.037 0.000 2.294 148 V HA 0.329 4.450 4.120 0.001 0.000 0.272 148 V C -0.123 175.951 176.094 -0.033 0.000 1.027 148 V CA -0.589 61.680 62.300 -0.051 0.000 0.823 148 V CB 0.827 32.662 31.823 0.020 0.000 1.030 148 V HN 0.494 nan 8.190 nan 0.000 0.457 149 L N 2.474 123.664 121.223 -0.055 0.000 2.334 149 L HA 0.781 5.121 4.340 0.001 0.000 0.276 149 L C -0.370 176.510 176.870 0.016 0.000 1.014 149 L CA -0.556 54.276 54.840 -0.013 0.000 0.815 149 L CB 1.536 43.578 42.059 -0.027 0.000 1.268 149 L HN 0.461 nan 8.230 nan 0.000 0.428 150 M N 3.031 122.658 119.600 0.045 0.000 2.108 150 M HA 0.742 5.223 4.480 0.001 0.000 0.354 150 M C -0.165 176.175 176.300 0.067 0.000 1.229 150 M CA 0.207 55.546 55.300 0.064 0.000 1.081 150 M CB 0.055 32.710 32.600 0.092 0.000 1.606 150 M HN 1.060 nan 8.290 nan 0.000 0.467 151 G N 2.329 111.170 108.800 0.069 0.000 2.340 151 G HA2 0.499 4.460 3.960 0.001 0.000 0.298 151 G HA3 0.499 4.460 3.960 0.001 0.000 0.298 151 G C -0.650 174.287 174.900 0.063 0.000 1.498 151 G CA 0.288 45.427 45.100 0.064 0.000 0.847 151 G HN 1.238 nan 8.290 nan 0.000 0.594 152 G N -1.086 107.726 108.800 0.020 0.000 2.828 152 G HA2 0.537 4.497 3.960 0.001 0.000 0.463 152 G HA3 0.537 4.497 3.960 0.001 0.000 0.463 152 G C 0.020 174.911 174.900 -0.016 0.000 1.394 152 G CA 0.816 45.906 45.100 -0.018 0.000 0.862 152 G HN 2.807 nan 8.290 nan 0.000 0.540 153 A N -1.281 121.518 122.820 -0.034 0.000 2.530 153 A HA 0.746 5.067 4.320 0.001 0.000 0.297 153 A C -0.045 177.514 177.584 -0.041 0.000 1.059 153 A CA 0.503 52.498 52.037 -0.071 0.000 0.782 153 A CB 0.366 19.310 19.000 -0.093 0.000 1.301 153 A HN 2.276 nan 8.150 nan 0.000 0.394 154 Y N 1.473 121.756 120.300 -0.028 0.000 2.395 154 Y HA 0.391 4.942 4.550 0.001 0.000 0.293 154 Y C 1.283 177.170 175.900 -0.021 0.000 1.123 154 Y CA 1.010 59.092 58.100 -0.031 0.000 1.227 154 Y CB -0.452 37.995 38.460 -0.023 0.000 1.012 154 Y HN 0.652 nan 8.280 nan 0.000 0.552 155 G N 0.461 109.083 108.800 -0.296 0.000 3.348 155 G HA2 0.241 4.202 3.960 0.001 0.000 0.180 155 G HA3 0.241 4.202 3.960 0.001 0.000 0.180 155 G C -0.512 174.324 174.900 -0.107 0.000 1.915 155 G CA -0.086 44.913 45.100 -0.168 0.000 0.937 155 G HN 0.195 nan 8.290 nan 0.000 0.564 156 T N 0.552 115.040 114.554 -0.109 0.000 2.856 156 T HA 0.532 4.883 4.350 0.001 0.000 0.292 156 T C 0.752 175.409 174.700 -0.071 0.000 0.980 156 T CA 0.175 62.232 62.100 -0.072 0.000 1.091 156 T CB 1.254 70.088 68.868 -0.058 0.000 0.936 156 T HN 0.576 nan 8.240 nan 0.000 0.503 157 G N 1.704 110.471 108.800 -0.055 0.000 2.508 157 G HA2 0.290 4.251 3.960 0.001 0.000 0.278 157 G HA3 0.290 4.251 3.960 0.001 0.000 0.278 157 G C 0.765 175.648 174.900 -0.028 0.000 1.389 157 G CA -0.540 44.535 45.100 -0.042 0.000 1.050 157 G HN 0.707 nan 8.290 nan 0.000 0.522 158 N N -2.064 116.640 118.700 0.006 0.000 2.672 158 N HA 0.062 4.803 4.740 0.001 0.000 0.229 158 N C 1.598 177.120 175.510 0.020 0.000 1.043 158 N CA 0.228 53.290 53.050 0.020 0.000 0.932 158 N CB -0.348 38.167 38.487 0.047 0.000 1.500 158 N HN 0.349 nan 8.380 nan 0.000 0.445 159 F N 2.138 122.040 119.950 -0.079 0.000 2.186 159 F HA 0.069 4.596 4.527 0.001 0.000 0.299 159 F C 1.019 176.650 175.800 -0.283 0.000 1.090 159 F CA 1.533 59.458 58.000 -0.125 0.000 1.307 159 F CB -0.046 38.921 39.000 -0.055 0.000 1.019 159 F HN 0.280 nan 8.300 nan 0.000 0.489 160 T N -4.367 110.063 114.554 -0.207 0.000 2.888 160 T HA 0.377 4.728 4.350 0.001 0.000 0.288 160 T C -2.061 172.562 174.700 -0.128 0.000 1.063 160 T CA -1.830 60.134 62.100 -0.226 0.000 1.010 160 T CB 1.415 70.100 68.868 -0.305 0.000 1.214 160 T HN -0.348 nan 8.240 nan 0.000 0.533 161 P HA 0.025 nan 4.420 nan 0.000 0.219 161 P C 1.345 178.614 177.300 -0.051 0.000 1.146 161 P CA 0.863 63.927 63.100 -0.061 0.000 0.808 161 P CB 0.042 31.716 31.700 -0.043 0.000 0.779 162 S N -1.633 114.037 115.700 -0.050 0.000 2.470 162 S HA 0.294 4.765 4.470 0.001 0.000 0.222 162 S C 0.980 175.557 174.600 -0.038 0.000 1.024 162 S CA 0.228 58.410 58.200 -0.029 0.000 0.931 162 S CB 0.006 63.209 63.200 0.004 0.000 0.791 162 S HN 0.106 nan 8.310 nan 0.000 0.513 163 A N 1.416 124.195 122.820 -0.068 0.000 2.365 163 A HA 0.627 4.947 4.320 0.001 0.000 0.318 163 A C -0.404 177.161 177.584 -0.030 0.000 1.091 163 A CA -0.584 51.423 52.037 -0.050 0.000 0.763 163 A CB 1.134 20.126 19.000 -0.013 0.000 1.248 163 A HN 0.107 nan 8.150 nan 0.000 0.442 164 E N 1.940 122.141 120.200 0.001 0.000 2.313 164 E HA 0.181 4.532 4.350 0.001 0.000 0.272 164 E C 0.285 176.939 176.600 0.090 0.000 1.038 164 E CA -0.493 55.933 56.400 0.043 0.000 0.863 164 E CB 0.706 30.412 29.700 0.010 0.000 1.060 164 E HN 0.583 nan 8.360 nan 0.000 0.402 165 F N 5.585 125.547 119.950 0.019 0.000 2.043 165 F HA -0.340 4.188 4.527 0.001 0.000 0.297 165 F C 1.552 177.323 175.800 -0.048 0.000 1.118 165 F CA 2.285 60.269 58.000 -0.028 0.000 1.202 165 F CB -0.215 38.777 39.000 -0.013 0.000 0.965 165 F HN 0.515 nan 8.300 nan 0.000 0.482 166 N N 0.855 119.519 118.700 -0.061 0.000 2.094 166 N HA -0.220 4.521 4.740 0.001 0.000 0.191 166 N C 1.911 177.285 175.510 -0.228 0.000 1.023 166 N CA 2.028 54.984 53.050 -0.158 0.000 0.857 166 N CB -0.543 37.953 38.487 0.015 0.000 1.013 166 N HN 0.314 nan 8.380 nan 0.000 0.426 167 I N -0.100 120.386 120.570 -0.141 0.000 2.233 167 I HA -0.150 4.021 4.170 0.001 0.000 0.243 167 I C 2.087 178.066 176.117 -0.229 0.000 1.093 167 I CA 0.605 61.817 61.300 -0.147 0.000 1.380 167 I CB -1.355 36.581 38.000 -0.106 0.000 1.067 167 I HN -0.026 nan 8.210 nan 0.000 0.413 168 F N 2.362 122.082 119.950 -0.384 0.000 2.161 168 F HA -0.199 4.328 4.527 0.000 0.000 0.300 168 F C 2.495 177.974 175.800 -0.534 0.000 1.089 168 F CA 1.442 59.180 58.000 -0.437 0.000 1.282 168 F CB -0.298 38.507 39.000 -0.326 0.000 1.010 168 F HN 0.054 nan 8.300 nan 0.000 0.485 169 A N -1.510 120.897 122.820 -0.689 0.000 2.067 169 A HA -0.113 4.208 4.320 0.001 0.000 0.219 169 A C 0.631 177.939 177.584 -0.460 0.000 1.158 169 A CA 1.709 53.310 52.037 -0.726 0.000 0.661 169 A CB -0.364 18.033 19.000 -1.005 0.000 0.801 169 A HN 0.372 nan 8.150 nan 0.000 0.452 170 D N -2.653 117.512 120.400 -0.392 0.000 2.668 170 D HA 0.258 4.899 4.640 0.001 0.000 0.247 170 D C -2.496 173.648 176.300 -0.260 0.000 1.268 170 D CA -1.220 52.618 54.000 -0.271 0.000 0.842 170 D CB 0.914 41.609 40.800 -0.174 0.000 1.399 170 D HN -0.040 nan 8.370 nan 0.000 0.530 171 P HA -0.064 nan 4.420 nan 0.000 0.217 171 P C 0.980 178.176 177.300 -0.173 0.000 1.150 171 P CA 0.968 63.856 63.100 -0.354 0.000 0.832 171 P CB 0.695 31.965 31.700 -0.718 0.000 0.787 172 E N -0.083 120.049 120.200 -0.114 0.000 2.077 172 E HA -0.128 4.223 4.350 0.001 0.000 0.193 172 E C 2.143 178.726 176.600 -0.029 0.000 0.989 172 E CA 1.501 57.878 56.400 -0.038 0.000 0.800 172 E CB -1.251 28.445 29.700 -0.008 0.000 0.746 172 E HN 0.132 nan 8.360 nan 0.000 0.452 173 A N 1.078 123.871 122.820 -0.045 0.000 1.902 173 A HA -0.114 4.207 4.320 0.001 0.000 0.217 173 A C 2.383 179.971 177.584 0.008 0.000 1.181 173 A CA 1.932 53.955 52.037 -0.024 0.000 0.623 173 A CB -0.908 18.070 19.000 -0.038 0.000 0.818 173 A HN 0.291 nan 8.150 nan 0.000 0.443 174 A N -0.111 122.713 122.820 0.006 0.000 1.902 174 A HA -0.160 4.161 4.320 0.001 0.000 0.217 174 A C 2.157 179.849 177.584 0.181 0.000 1.181 174 A CA 2.180 54.285 52.037 0.113 0.000 0.623 174 A CB -0.465 18.560 19.000 0.041 0.000 0.818 174 A HN 0.498 nan 8.150 nan 0.000 0.443 175 R N 0.100 120.637 120.500 0.061 0.000 2.096 175 R HA -0.117 4.224 4.340 0.001 0.000 0.240 175 R C 1.772 178.126 176.300 0.089 0.000 1.139 175 R CA 2.260 58.399 56.100 0.066 0.000 0.952 175 R CB -1.266 29.047 30.300 0.021 0.000 0.854 175 R HN 0.248 nan 8.270 nan 0.000 0.436 176 V N -0.235 119.712 119.914 0.055 0.000 2.287 176 V HA -0.247 3.874 4.120 0.001 0.000 0.248 176 V C 2.363 178.475 176.094 0.031 0.000 1.053 176 V CA 1.963 64.284 62.300 0.035 0.000 1.027 176 V CB -0.470 31.361 31.823 0.012 0.000 0.646 176 V HN 0.235 nan 8.190 nan 0.000 0.447 177 V N -1.105 118.827 119.914 0.029 0.000 2.343 177 V HA -0.225 3.895 4.120 0.001 0.000 0.247 177 V C 2.086 178.107 176.094 -0.123 0.000 1.051 177 V CA 2.054 64.314 62.300 -0.067 0.000 1.036 177 V CB -0.707 31.046 31.823 -0.116 0.000 0.654 177 V HN 0.484 nan 8.190 nan 0.000 0.451 178 F N 0.811 120.736 119.950 -0.042 0.000 2.748 178 F HA -0.034 4.494 4.527 0.002 0.000 0.299 178 F C 2.173 177.955 175.800 -0.031 0.000 1.154 178 F CA 1.284 59.254 58.000 -0.050 0.000 1.446 178 F CB -0.303 38.649 39.000 -0.080 0.000 1.112 178 F HN 0.286 nan 8.300 nan 0.000 0.584 179 T N -4.341 110.284 114.554 0.118 0.000 3.134 179 T HA 0.055 4.406 4.350 0.001 0.000 0.260 179 T C 1.768 176.492 174.700 0.039 0.000 1.027 179 T CA 0.455 62.605 62.100 0.084 0.000 0.913 179 T CB -0.359 68.556 68.868 0.079 0.000 1.046 179 T HN 0.160 nan 8.240 nan 0.000 0.553 180 S N 1.097 116.799 115.700 0.003 0.000 2.428 180 S HA 0.306 4.777 4.470 0.001 0.000 0.230 180 S C 2.209 176.802 174.600 -0.012 0.000 1.014 180 S CA 0.669 58.859 58.200 -0.016 0.000 0.957 180 S CB -0.922 62.250 63.200 -0.047 0.000 0.784 180 S HN 1.290 nan 8.310 nan 0.000 0.499 181 G N 0.373 109.168 108.800 -0.008 0.000 2.179 181 G HA2 -0.240 3.720 3.960 0.001 0.000 0.260 181 G HA3 -0.240 3.720 3.960 0.001 0.000 0.260 181 G C 0.084 174.972 174.900 -0.020 0.000 0.977 181 G CA 0.117 45.217 45.100 -0.001 0.000 0.641 181 G HN 0.699 nan 8.290 nan 0.000 0.533 182 V N 1.857 121.745 119.914 -0.044 0.000 2.686 182 V HA 0.392 4.513 4.120 0.001 0.000 0.295 182 V C -1.350 174.707 176.094 -0.063 0.000 1.055 182 V CA -1.244 61.025 62.300 -0.052 0.000 1.050 182 V CB 1.235 33.017 31.823 -0.068 0.000 0.984 182 V HN 0.125 nan 8.190 nan 0.000 0.482 183 P HA 0.167 nan 4.420 nan 0.000 0.263 183 P C -0.849 176.406 177.300 -0.076 0.000 1.195 183 P CA 0.359 63.435 63.100 -0.041 0.000 0.762 183 P CB 0.240 31.931 31.700 -0.015 0.000 0.799 184 L N 3.327 124.490 121.223 -0.100 0.000 2.346 184 L HA 0.575 4.915 4.340 0.001 0.000 0.276 184 L C -0.363 176.433 176.870 -0.124 0.000 1.006 184 L CA -1.126 53.616 54.840 -0.163 0.000 0.817 184 L CB 2.120 44.002 42.059 -0.295 0.000 1.272 184 L HN 0.035 nan 8.230 nan 0.000 0.421 185 V N 3.607 123.430 119.914 -0.152 0.000 2.487 185 V HA 0.437 4.558 4.120 0.001 0.000 0.298 185 V C -0.224 175.770 176.094 -0.166 0.000 1.028 185 V CA -0.381 61.796 62.300 -0.205 0.000 0.860 185 V CB 1.936 33.524 31.823 -0.392 0.000 0.991 185 V HN 0.765 nan 8.190 nan 0.000 0.427 186 M N 6.153 125.694 119.600 -0.098 0.000 2.043 186 M HA 0.499 4.979 4.480 0.001 0.000 0.322 186 M C -0.923 175.368 176.300 -0.014 0.000 0.962 186 M CA -0.577 54.725 55.300 0.003 0.000 0.927 186 M CB 1.133 33.821 32.600 0.146 0.000 1.466 186 M HN 0.485 nan 8.290 nan 0.000 0.412 187 M N 4.360 123.946 119.600 -0.023 0.000 2.725 187 M HA 0.281 4.761 4.480 0.001 0.000 0.322 187 M C 0.500 176.827 176.300 0.045 0.000 1.393 187 M CA -0.029 55.271 55.300 -0.000 0.000 1.452 187 M CB -0.737 31.859 32.600 -0.006 0.000 1.242 187 M HN 0.752 nan 8.290 nan 0.000 0.487 188 G N 1.681 110.516 108.800 0.058 0.000 2.557 188 G HA2 0.502 4.462 3.960 0.001 0.000 0.292 188 G HA3 0.502 4.462 3.960 0.001 0.000 0.292 188 G C 0.955 175.874 174.900 0.033 0.000 1.237 188 G CA -0.730 44.399 45.100 0.048 0.000 0.978 188 G HN 0.695 nan 8.290 nan 0.000 0.498 189 L N -0.155 121.069 121.223 0.002 0.000 2.131 189 L HA -0.085 4.256 4.340 0.001 0.000 0.210 189 L C 2.426 179.281 176.870 -0.026 0.000 1.092 189 L CA 1.169 56.021 54.840 0.020 0.000 0.759 189 L CB -0.344 41.710 42.059 -0.007 0.000 0.903 189 L HN 0.556 nan 8.230 nan 0.000 0.435 190 D N 0.332 120.649 120.400 -0.138 0.000 2.133 190 D HA -0.252 4.389 4.640 0.001 0.000 0.195 190 D C 2.157 178.424 176.300 -0.054 0.000 0.997 190 D CA 1.478 55.352 54.000 -0.210 0.000 0.840 190 D CB -0.033 40.413 40.800 -0.591 0.000 0.947 190 D HN 0.350 nan 8.370 nan 0.000 0.452 191 L N 0.953 122.177 121.223 0.002 0.000 2.049 191 L HA -0.118 4.223 4.340 0.001 0.000 0.203 191 L C 2.748 179.612 176.870 -0.009 0.000 1.074 191 L CA 1.708 56.558 54.840 0.017 0.000 0.749 191 L CB -0.511 41.566 42.059 0.030 0.000 0.907 191 L HN 0.046 nan 8.230 nan 0.000 0.439 192 T N -3.298 111.269 114.554 0.022 0.000 2.867 192 T HA -0.106 4.245 4.350 0.001 0.000 0.268 192 T C 1.684 176.372 174.700 -0.021 0.000 1.057 192 T CA 1.135 63.245 62.100 0.016 0.000 1.136 192 T CB -0.632 68.371 68.868 0.225 0.000 0.874 192 T HN 0.280 nan 8.240 nan 0.000 0.466 193 N N 1.897 120.624 118.700 0.046 0.000 2.443 193 N HA -0.049 4.692 4.740 0.001 0.000 0.184 193 N C 1.796 177.310 175.510 0.008 0.000 1.037 193 N CA 0.784 53.852 53.050 0.031 0.000 0.896 193 N CB -0.345 38.170 38.487 0.047 0.000 0.959 193 N HN 0.667 nan 8.380 nan 0.000 0.442 194 Q N -0.654 119.145 119.800 -0.002 0.000 2.472 194 Q HA 0.006 4.347 4.340 0.001 0.000 0.208 194 Q C 0.595 176.617 176.000 0.036 0.000 0.958 194 Q CA 0.835 56.648 55.803 0.017 0.000 0.932 194 Q CB 0.122 28.866 28.738 0.009 0.000 1.007 194 Q HN 0.347 nan 8.270 nan 0.000 0.508 195 T N -2.456 112.096 114.554 -0.003 0.000 3.221 195 T HA 0.297 4.647 4.350 0.001 0.000 0.246 195 T C 0.026 174.879 174.700 0.254 0.000 0.952 195 T CA -0.533 61.612 62.100 0.076 0.000 0.994 195 T CB 0.059 68.803 68.868 -0.206 0.000 1.127 195 T HN -0.037 nan 8.240 nan 0.000 0.549 196 V N 1.380 121.419 119.914 0.207 0.000 2.673 196 V HA 0.203 4.324 4.120 0.001 0.000 0.303 196 V C 0.521 176.743 176.094 0.214 0.000 1.046 196 V CA -0.558 61.836 62.300 0.158 0.000 1.126 196 V CB 0.210 32.082 31.823 0.082 0.000 0.934 196 V HN 0.874 nan 8.190 nan 0.000 0.487 197 C N 8.365 127.740 119.300 0.124 0.000 2.176 197 C HA 0.617 5.078 4.460 0.001 0.000 0.329 197 C C 0.923 175.903 174.990 -0.017 0.000 1.113 197 C CA -0.178 58.863 59.018 0.037 0.000 1.562 197 C CB -1.142 26.644 27.740 0.077 0.000 2.040 197 C HN 1.107 nan 8.230 nan 0.000 0.460 198 T N 3.911 118.433 114.554 -0.052 0.000 2.810 198 T HA 0.364 4.715 4.350 0.001 0.000 0.277 198 T C -1.552 173.116 174.700 -0.053 0.000 0.973 198 T CA -1.132 60.940 62.100 -0.047 0.000 0.949 198 T CB 0.429 69.271 68.868 -0.044 0.000 1.075 198 T HN 0.322 nan 8.240 nan 0.000 0.537 199 P HA -0.091 nan 4.420 nan 0.000 0.217 199 P C 1.135 178.404 177.300 -0.053 0.000 1.148 199 P CA 0.973 64.049 63.100 -0.039 0.000 0.828 199 P CB -0.003 31.676 31.700 -0.035 0.000 0.783 200 D N -1.290 119.067 120.400 -0.072 0.000 2.234 200 D HA -0.067 4.573 4.640 0.001 0.000 0.205 200 D C 1.790 178.003 176.300 -0.146 0.000 0.962 200 D CA 0.604 54.549 54.000 -0.091 0.000 0.855 200 D CB -0.100 40.651 40.800 -0.083 0.000 0.951 200 D HN -0.072 nan 8.370 nan 0.000 0.500 201 V N 0.815 120.613 119.914 -0.193 0.000 2.379 201 V HA -0.177 3.943 4.120 0.001 0.000 0.245 201 V C 2.611 178.599 176.094 -0.177 0.000 1.044 201 V CA 0.962 63.075 62.300 -0.313 0.000 1.036 201 V CB -0.278 31.256 31.823 -0.482 0.000 0.664 201 V HN 0.185 nan 8.190 nan 0.000 0.453 202 I N 0.726 121.286 120.570 -0.017 0.000 2.226 202 I HA -0.238 3.933 4.170 0.001 0.000 0.245 202 I C 2.712 178.825 176.117 -0.006 0.000 1.100 202 I CA 1.500 62.852 61.300 0.087 0.000 1.374 202 I CB -0.605 37.454 38.000 0.098 0.000 1.057 202 I HN 0.280 nan 8.210 nan 0.000 0.413 203 A N 0.825 123.620 122.820 -0.042 0.000 1.908 203 A HA -0.273 4.048 4.320 0.001 0.000 0.218 203 A C 2.464 180.000 177.584 -0.079 0.000 1.181 203 A CA 1.983 53.990 52.037 -0.050 0.000 0.627 203 A CB -0.703 18.267 19.000 -0.050 0.000 0.818 203 A HN 0.391 nan 8.150 nan 0.000 0.445 204 R N -1.221 119.204 120.500 -0.125 0.000 2.073 204 R HA -0.135 4.206 4.340 0.001 0.000 0.234 204 R C 2.047 178.240 176.300 -0.178 0.000 1.134 204 R CA 1.882 57.893 56.100 -0.149 0.000 0.952 204 R CB -0.304 29.881 30.300 -0.192 0.000 0.850 204 R HN 0.409 nan 8.270 nan 0.000 0.433 205 M N 1.286 120.727 119.600 -0.265 0.000 2.117 205 M HA -0.160 4.321 4.480 0.001 0.000 0.262 205 M C 2.067 178.269 176.300 -0.165 0.000 1.065 205 M CA 1.844 56.941 55.300 -0.340 0.000 1.114 205 M CB -1.005 31.142 32.600 -0.754 0.000 1.361 205 M HN 0.340 nan 8.290 nan 0.000 0.408 206 E N -0.061 120.088 120.200 -0.086 0.000 2.358 206 E HA -0.162 4.188 4.350 0.001 0.000 0.195 206 E C 2.103 178.681 176.600 -0.036 0.000 1.010 206 E CA 0.551 56.932 56.400 -0.031 0.000 0.856 206 E CB -0.408 29.293 29.700 0.003 0.000 0.795 206 E HN 0.481 nan 8.360 nan 0.000 0.504 207 R N 1.188 121.656 120.500 -0.053 0.000 2.073 207 R HA -0.105 4.236 4.340 0.001 0.000 0.234 207 R C 2.295 178.570 176.300 -0.041 0.000 1.134 207 R CA 1.472 57.546 56.100 -0.044 0.000 0.952 207 R CB -0.443 29.826 30.300 -0.051 0.000 0.850 207 R HN 0.244 nan 8.270 nan 0.000 0.433 208 A N 0.660 123.445 122.820 -0.059 0.000 1.978 208 A HA 0.047 4.367 4.320 0.001 0.000 0.220 208 A C 1.368 178.938 177.584 -0.024 0.000 1.170 208 A CA 1.533 53.542 52.037 -0.046 0.000 0.636 208 A CB -1.124 17.835 19.000 -0.068 0.000 0.810 208 A HN 0.770 nan 8.150 nan 0.000 0.448 209 G N -1.967 106.817 108.800 -0.026 0.000 2.633 209 G HA2 0.260 4.221 3.960 0.001 0.000 0.263 209 G HA3 0.260 4.221 3.960 0.001 0.000 0.263 209 G C 1.240 176.146 174.900 0.012 0.000 1.310 209 G CA 0.661 45.757 45.100 -0.006 0.000 0.914 209 G HN 2.540 nan 8.290 nan 0.000 0.569 210 G N -2.063 106.747 108.800 0.017 0.000 2.750 210 G HA2 0.141 4.102 3.960 0.001 0.000 0.228 210 G HA3 0.141 4.102 3.960 0.001 0.000 0.228 210 G C -0.834 174.084 174.900 0.029 0.000 1.367 210 G CA 0.623 45.743 45.100 0.032 0.000 0.871 210 G HN 1.154 nan 8.290 nan 0.000 0.560 211 P HA -0.085 nan 4.420 nan 0.000 0.216 211 P C 2.180 179.463 177.300 -0.028 0.000 1.154 211 P CA 3.323 66.433 63.100 0.017 0.000 0.865 211 P CB -0.110 31.618 31.700 0.047 0.000 0.789 212 A N -0.762 122.024 122.820 -0.057 0.000 1.930 212 A HA 0.091 4.412 4.320 0.001 0.000 0.215 212 A C 2.446 180.037 177.584 0.012 0.000 1.176 212 A CA 1.576 53.538 52.037 -0.125 0.000 0.632 212 A CB -1.667 17.173 19.000 -0.266 0.000 0.819 212 A HN 0.254 nan 8.150 nan 0.000 0.445 213 G N -0.147 108.665 108.800 0.020 0.000 2.459 213 G HA2 -0.244 3.717 3.960 0.001 0.000 0.217 213 G HA3 -0.244 3.717 3.960 0.001 0.000 0.217 213 G C 1.419 176.356 174.900 0.062 0.000 1.183 213 G CA 1.070 46.185 45.100 0.024 0.000 0.776 213 G HN 0.616 nan 8.290 nan 0.000 0.552 214 E N -0.492 119.726 120.200 0.029 0.000 2.150 214 E HA -0.042 4.308 4.350 0.001 0.000 0.193 214 E C 2.379 178.991 176.600 0.021 0.000 0.985 214 E CA 0.422 56.833 56.400 0.017 0.000 0.814 214 E CB -0.091 29.602 29.700 -0.011 0.000 0.752 214 E HN 0.360 nan 8.360 nan 0.000 0.466 215 L N -0.007 121.231 121.223 0.026 0.000 2.044 215 L HA -0.099 4.242 4.340 0.001 0.000 0.205 215 L C 2.042 178.962 176.870 0.084 0.000 1.075 215 L CA 1.320 56.173 54.840 0.021 0.000 0.747 215 L CB -0.340 41.731 42.059 0.021 0.000 0.903 215 L HN 0.075 nan 8.230 nan 0.000 0.435 216 F N -0.633 119.311 119.950 -0.010 0.000 2.091 216 F HA -0.318 4.210 4.527 0.002 0.000 0.299 216 F C 2.831 178.644 175.800 0.022 0.000 1.103 216 F CA 2.047 60.058 58.000 0.017 0.000 1.228 216 F CB -0.432 38.571 39.000 0.004 0.000 0.984 216 F HN 0.240 nan 8.300 nan 0.000 0.477 217 S N -0.184 115.682 115.700 0.276 0.000 2.345 217 S HA -0.209 4.262 4.470 0.001 0.000 0.220 217 S C 1.839 176.480 174.600 0.068 0.000 1.031 217 S CA 1.797 60.097 58.200 0.167 0.000 0.996 217 S CB -0.625 62.644 63.200 0.115 0.000 0.882 217 S HN 0.445 nan 8.310 nan 0.000 0.445 218 D N 1.030 121.452 120.400 0.037 0.000 2.123 218 D HA -0.049 4.592 4.640 0.001 0.000 0.196 218 D C 1.846 178.178 176.300 0.052 0.000 0.992 218 D CA 1.087 55.094 54.000 0.011 0.000 0.833 218 D CB -0.338 40.427 40.800 -0.060 0.000 0.954 218 D HN 0.454 nan 8.370 nan 0.000 0.455 219 I N 0.075 120.677 120.570 0.052 0.000 2.162 219 I HA -0.211 3.959 4.170 0.001 0.000 0.238 219 I C 2.062 178.260 176.117 0.136 0.000 1.076 219 I CA 0.766 62.162 61.300 0.159 0.000 1.353 219 I CB -0.029 38.026 38.000 0.092 0.000 1.063 219 I HN -0.031 nan 8.210 nan 0.000 0.408 220 M N 0.016 119.579 119.600 -0.062 0.000 2.476 220 M HA -0.074 4.406 4.480 0.001 0.000 0.262 220 M C 1.606 177.877 176.300 -0.048 0.000 1.079 220 M CA 1.101 56.325 55.300 -0.126 0.000 1.104 220 M CB -1.406 31.002 32.600 -0.322 0.000 1.409 220 M HN 0.243 nan 8.290 nan 0.000 0.467 221 N N -0.078 118.629 118.700 0.012 0.000 2.331 221 N HA -0.077 4.664 4.740 0.001 0.000 0.180 221 N C 1.518 177.039 175.510 0.018 0.000 1.019 221 N CA 0.765 53.824 53.050 0.014 0.000 0.881 221 N CB -0.237 38.270 38.487 0.033 0.000 0.972 221 N HN 0.336 nan 8.380 nan 0.000 0.435 222 F N 2.023 121.928 119.950 -0.075 0.000 2.163 222 F HA -0.107 4.420 4.527 0.001 0.000 0.297 222 F C 2.344 178.033 175.800 -0.185 0.000 1.094 222 F CA 1.442 59.386 58.000 -0.093 0.000 1.290 222 F CB -0.545 38.446 39.000 -0.016 0.000 1.017 222 F HN 0.004 nan 8.300 nan 0.000 0.483 223 T N -1.000 113.402 114.554 -0.253 0.000 2.995 223 T HA -0.085 4.266 4.350 0.001 0.000 0.269 223 T C 2.091 176.624 174.700 -0.279 0.000 1.091 223 T CA 1.172 63.055 62.100 -0.362 0.000 1.128 223 T CB -0.691 67.986 68.868 -0.319 0.000 0.891 223 T HN 0.374 nan 8.240 nan 0.000 0.492 224 L N 0.376 121.477 121.223 -0.203 0.000 2.179 224 L HA 0.074 4.415 4.340 0.001 0.000 0.208 224 L C 3.390 180.149 176.870 -0.186 0.000 1.096 224 L CA 1.306 56.052 54.840 -0.156 0.000 0.779 224 L CB -0.593 41.407 42.059 -0.097 0.000 0.922 224 L HN 0.430 nan 8.230 nan 0.000 0.443 225 K N -0.090 120.162 120.400 -0.248 0.000 2.217 225 K HA -0.128 4.192 4.320 0.001 0.000 0.202 225 K C 1.910 178.310 176.600 -0.333 0.000 1.051 225 K CA 1.610 57.740 56.287 -0.261 0.000 0.952 225 K CB -1.348 31.003 32.500 -0.248 0.000 0.736 225 K HN 0.530 nan 8.250 nan 0.000 0.453 226 T N -3.699 110.574 114.554 -0.467 0.000 3.081 226 T HA 0.198 4.549 4.350 0.001 0.000 0.255 226 T C 1.810 176.364 174.700 -0.244 0.000 1.113 226 T CA 1.130 63.000 62.100 -0.384 0.000 1.082 226 T CB 0.069 68.646 68.868 -0.484 0.000 0.939 226 T HN 0.504 nan 8.240 nan 0.000 0.506 227 Q N -0.161 119.510 119.800 -0.214 0.000 2.297 227 Q HA 0.613 4.954 4.340 0.001 0.000 0.265 227 Q C 1.414 177.345 176.000 -0.115 0.000 0.904 227 Q CA 0.126 55.843 55.803 -0.142 0.000 0.969 227 Q CB -1.910 26.756 28.738 -0.120 0.000 1.115 227 Q HN 0.899 nan 8.270 nan 0.000 0.433 228 F N -0.409 119.468 119.950 -0.121 0.000 2.456 228 F HA 0.417 4.945 4.527 0.001 0.000 0.298 228 F C 1.421 177.175 175.800 -0.077 0.000 1.104 228 F CA 0.977 58.922 58.000 -0.092 0.000 1.435 228 F CB -0.942 38.002 39.000 -0.092 0.000 1.078 228 F HN 0.757 nan 8.300 nan 0.000 0.546 238 V N -0.313 119.565 119.914 -0.061 0.000 2.350 238 V HA 0.503 4.624 4.120 0.001 0.000 0.276 238 V C 0.377 176.401 176.094 -0.117 0.000 1.028 238 V CA 0.088 62.405 62.300 0.029 0.000 0.860 238 V CB 1.048 33.080 31.823 0.348 0.000 0.990 238 V HN 0.638 nan 8.190 nan 0.000 0.453 239 H N 2.534 121.673 119.070 0.115 0.000 2.355 239 H HA 0.093 4.650 4.556 0.001 0.000 0.312 239 H C 1.170 176.540 175.328 0.071 0.000 1.051 239 H CA 1.524 57.612 56.048 0.067 0.000 1.389 239 H CB 0.147 29.959 29.762 0.083 0.000 1.455 239 H HN 0.679 nan 8.280 nan 0.000 0.575 240 D N 1.429 121.980 120.400 0.252 0.000 2.144 240 D HA -0.061 4.580 4.640 0.001 0.000 0.199 240 D C 2.105 178.511 176.300 0.177 0.000 0.984 240 D CA 0.994 55.105 54.000 0.186 0.000 0.834 240 D CB -0.308 40.594 40.800 0.170 0.000 0.955 240 D HN 0.296 nan 8.370 nan 0.000 0.465 241 A N 0.626 123.580 122.820 0.224 0.000 2.125 241 A HA -0.134 4.187 4.320 0.001 0.000 0.219 241 A C 2.243 180.025 177.584 0.329 0.000 1.156 241 A CA 1.995 54.212 52.037 0.300 0.000 0.671 241 A CB -0.901 18.350 19.000 0.419 0.000 0.794 241 A HN 0.384 nan 8.150 nan 0.000 0.459 242 T N -3.402 111.224 114.554 0.121 0.000 2.915 242 T HA -0.179 4.172 4.350 0.001 0.000 0.269 242 T C 1.786 176.581 174.700 0.159 0.000 1.071 242 T CA 1.483 63.570 62.100 -0.022 0.000 1.132 242 T CB -1.119 67.630 68.868 -0.198 0.000 0.878 242 T HN 0.415 nan 8.240 nan 0.000 0.479 243 C N 1.286 120.677 119.300 0.152 0.000 2.446 243 C HA 0.102 4.563 4.460 0.001 0.000 0.277 243 C C 2.720 177.845 174.990 0.225 0.000 1.275 243 C CA -0.054 59.063 59.018 0.165 0.000 1.727 243 C CB -1.154 26.653 27.740 0.111 0.000 2.010 243 C HN 0.521 nan 8.230 nan 0.000 0.486 244 I N 1.643 122.335 120.570 0.202 0.000 2.252 244 I HA -0.061 4.110 4.170 0.001 0.000 0.245 244 I C 2.748 178.974 176.117 0.181 0.000 1.102 244 I CA 2.005 63.408 61.300 0.171 0.000 1.385 244 I CB -2.166 35.917 38.000 0.138 0.000 1.064 244 I HN 0.377 nan 8.210 nan 0.000 0.414 245 G N 0.282 109.243 108.800 0.268 0.000 2.476 245 G HA2 -0.359 3.601 3.960 0.001 0.000 0.218 245 G HA3 -0.359 3.601 3.960 0.001 0.000 0.218 245 G C 1.806 177.014 174.900 0.513 0.000 1.164 245 G CA 0.995 46.296 45.100 0.335 0.000 0.768 245 G HN 0.383 nan 8.290 nan 0.000 0.560 246 Y N 0.945 121.438 120.300 0.322 0.000 2.165 246 Y HA -0.053 4.498 4.550 0.002 0.000 0.286 246 Y C 2.542 178.526 175.900 0.139 0.000 1.155 246 Y CA 1.524 59.748 58.100 0.207 0.000 1.164 246 Y CB -0.146 38.384 38.460 0.117 0.000 0.978 246 Y HN 0.134 nan 8.280 nan 0.000 0.513 247 L N -0.801 120.528 121.223 0.177 0.000 2.240 247 L HA -0.145 4.195 4.340 0.001 0.000 0.211 247 L C 2.204 179.080 176.870 0.009 0.000 1.106 247 L CA 0.784 55.667 54.840 0.072 0.000 0.793 247 L CB -0.311 41.826 42.059 0.131 0.000 0.927 247 L HN 0.250 nan 8.230 nan 0.000 0.446 248 I N -0.635 119.951 120.570 0.027 0.000 2.233 248 I HA -0.163 4.007 4.170 0.001 0.000 0.243 248 I C 0.765 176.910 176.117 0.046 0.000 1.093 248 I CA 0.970 62.253 61.300 -0.029 0.000 1.380 248 I CB 0.093 37.953 38.000 -0.234 0.000 1.067 248 I HN 0.247 nan 8.210 nan 0.000 0.413 249 N N -0.075 118.697 118.700 0.121 0.000 2.664 249 N HA 0.143 4.884 4.740 0.001 0.000 0.268 249 N C -2.207 173.154 175.510 -0.248 0.000 1.222 249 N CA -1.513 51.537 53.050 0.001 0.000 0.805 249 N CB 1.333 39.904 38.487 0.140 0.000 1.399 249 N HN -0.197 nan 8.380 nan 0.000 0.547 250 P HA -0.035 nan 4.420 nan 0.000 0.222 250 P C 0.258 177.297 177.300 -0.435 0.000 1.147 250 P CA 0.857 63.544 63.100 -0.688 0.000 0.790 250 P CB 0.577 31.827 31.700 -0.749 0.000 0.780 251 D N 0.138 120.300 120.400 -0.397 0.000 2.263 251 D HA -0.065 4.576 4.640 0.001 0.000 0.208 251 D C 2.196 178.166 176.300 -0.549 0.000 0.971 251 D CA 1.240 55.020 54.000 -0.366 0.000 0.867 251 D CB -0.959 39.671 40.800 -0.284 0.000 0.929 251 D HN 0.234 nan 8.370 nan 0.000 0.492 252 G N -0.239 107.943 108.800 -1.031 0.000 2.598 252 G HA2 0.036 3.997 3.960 0.001 0.000 0.215 252 G HA3 0.036 3.997 3.960 0.001 0.000 0.215 252 G C 0.656 175.136 174.900 -0.700 0.000 1.131 252 G CA 0.030 44.197 45.100 -1.555 0.000 0.785 252 G HN 0.220 nan 8.290 nan 0.000 0.539 253 I N 0.076 120.419 120.570 -0.379 0.000 2.447 253 I HA 0.259 4.430 4.170 0.001 0.000 0.287 253 I C -0.304 175.809 176.117 -0.006 0.000 1.023 253 I CA -0.812 60.453 61.300 -0.058 0.000 1.083 253 I CB 2.425 40.523 38.000 0.164 0.000 1.245 253 I HN -0.169 nan 8.210 nan 0.000 0.434 254 K N 5.721 126.120 120.400 -0.003 0.000 2.297 254 K HA 0.437 4.757 4.320 0.001 0.000 0.286 254 K C -0.248 176.375 176.600 0.039 0.000 1.053 254 K CA -0.185 56.109 56.287 0.012 0.000 0.940 254 K CB 0.869 33.368 32.500 -0.002 0.000 1.019 254 K HN 0.731 nan 8.250 nan 0.000 0.475 255 T N 0.759 115.340 114.554 0.046 0.000 2.950 255 T HA 0.313 4.664 4.350 0.001 0.000 0.288 255 T C -0.723 173.979 174.700 0.004 0.000 1.035 255 T CA -0.871 61.246 62.100 0.029 0.000 1.028 255 T CB 1.703 70.594 68.868 0.038 0.000 1.109 255 T HN 0.651 nan 8.240 nan 0.000 0.514 256 Q N 0.177 119.965 119.800 -0.020 0.000 2.305 256 Q HA 0.304 4.644 4.340 0.001 0.000 0.271 256 Q C -1.183 174.799 176.000 -0.030 0.000 1.046 256 Q CA -0.532 55.249 55.803 -0.036 0.000 0.798 256 Q CB 2.021 30.711 28.738 -0.079 0.000 1.286 256 Q HN 0.765 nan 8.270 nan 0.000 0.435 257 E N 3.691 123.883 120.200 -0.012 0.000 2.324 257 E HA 0.257 4.608 4.350 0.001 0.000 0.271 257 E C -0.620 175.983 176.600 0.005 0.000 1.028 257 E CA 0.500 56.902 56.400 0.004 0.000 0.890 257 E CB 0.847 30.556 29.700 0.015 0.000 1.004 257 E HN 0.466 nan 8.360 nan 0.000 0.431 258 M N 2.362 121.976 119.600 0.024 0.000 2.520 258 M HA 0.193 4.673 4.480 0.001 0.000 0.283 258 M C -1.190 175.170 176.300 0.099 0.000 1.237 258 M CA -1.059 54.264 55.300 0.039 0.000 0.885 258 M CB 1.887 34.478 32.600 -0.015 0.000 1.727 258 M HN 0.477 nan 8.290 nan 0.000 0.468 259 Y N 2.223 122.530 120.300 0.011 0.000 2.436 259 Y HA 0.505 5.056 4.550 0.001 0.000 0.343 259 Y C -1.279 174.639 175.900 0.030 0.000 1.008 259 Y CA -0.309 57.807 58.100 0.028 0.000 1.241 259 Y CB 0.530 39.000 38.460 0.017 0.000 1.153 259 Y HN 0.379 nan 8.280 nan 0.000 0.521 260 V N 7.137 126.739 119.914 -0.519 0.000 2.459 260 V HA 0.355 4.476 4.120 0.001 0.000 0.295 260 V C -0.552 175.138 176.094 -0.674 0.000 1.029 260 V CA -1.002 61.023 62.300 -0.459 0.000 0.874 260 V CB 1.605 33.330 31.823 -0.164 0.000 0.985 260 V HN 0.778 nan 8.190 nan 0.000 0.438 261 E N 3.356 123.214 120.200 -0.571 0.000 2.222 261 E HA 0.607 4.958 4.350 0.001 0.000 0.267 261 E C -1.595 174.810 176.600 -0.324 0.000 0.884 261 E CA -0.622 55.544 56.400 -0.390 0.000 0.764 261 E CB 2.275 31.827 29.700 -0.246 0.000 1.169 261 E HN 0.449 nan 8.360 nan 0.000 0.413 262 V N 3.865 123.611 119.914 -0.279 0.000 2.461 262 V HA 0.101 4.222 4.120 0.001 0.000 0.275 262 V C -0.044 175.978 176.094 -0.119 0.000 1.047 262 V CA -0.453 61.695 62.300 -0.253 0.000 0.955 262 V CB 1.247 32.925 31.823 -0.242 0.000 0.988 262 V HN 0.702 nan 8.190 nan 0.000 0.471 263 D N 3.895 124.240 120.400 -0.091 0.000 2.316 263 D HA 0.198 4.839 4.640 0.001 0.000 0.245 263 D C 0.620 176.943 176.300 0.038 0.000 1.171 263 D CA -0.217 53.779 54.000 -0.006 0.000 0.856 263 D CB 1.760 42.572 40.800 0.019 0.000 1.090 263 D HN 0.409 nan 8.370 nan 0.000 0.476 264 V N 1.035 121.002 119.914 0.089 0.000 3.444 264 V HA 0.311 4.432 4.120 0.001 0.000 0.308 264 V C 0.350 176.630 176.094 0.309 0.000 1.371 264 V CA -0.706 61.723 62.300 0.215 0.000 1.141 264 V CB -1.168 30.735 31.823 0.135 0.000 1.037 264 V HN 0.297 nan 8.190 nan 0.000 0.433 265 N N 3.028 121.849 118.700 0.201 0.000 2.468 265 N HA 0.209 4.950 4.740 0.001 0.000 0.265 265 N C 0.496 176.043 175.510 0.063 0.000 1.199 265 N CA 0.467 53.578 53.050 0.102 0.000 0.928 265 N CB 0.624 39.153 38.487 0.070 0.000 1.059 265 N HN 0.663 nan 8.380 nan 0.000 0.467 266 S N 1.671 117.260 115.700 -0.186 0.000 2.552 266 S HA 0.473 4.944 4.470 0.001 0.000 0.289 266 S C 0.830 175.374 174.600 -0.094 0.000 1.304 266 S CA -0.045 57.952 58.200 -0.339 0.000 1.063 266 S CB 0.716 63.725 63.200 -0.318 0.000 0.848 266 S HN 0.865 nan 8.310 nan 0.000 0.499 267 G N 2.564 111.347 108.800 -0.029 0.000 2.315 267 G HA2 0.152 4.113 3.960 0.001 0.000 0.296 267 G HA3 0.152 4.113 3.960 0.001 0.000 0.296 267 G C -2.546 172.420 174.900 0.111 0.000 1.289 267 G CA -0.309 44.815 45.100 0.041 0.000 0.996 267 G HN 0.547 nan 8.290 nan 0.000 0.487 268 P HA 0.164 nan 4.420 nan 0.000 0.230 268 P C 0.971 178.331 177.300 0.101 0.000 1.158 268 P CA 1.264 64.415 63.100 0.085 0.000 0.769 268 P CB 0.016 31.745 31.700 0.048 0.000 0.807 269 C N -2.121 117.254 119.300 0.126 0.000 3.115 269 C HA 0.264 4.725 4.460 0.001 0.000 0.277 269 C C 0.559 175.665 174.990 0.194 0.000 1.460 269 C CA -0.851 58.238 59.018 0.119 0.000 1.789 269 C CB -2.153 25.629 27.740 0.070 0.000 2.674 269 C HN 0.140 nan 8.230 nan 0.000 0.582 270 Y N 1.933 122.307 120.300 0.123 0.000 2.721 270 Y HA 0.371 4.922 4.550 0.002 0.000 0.329 270 Y C 1.357 177.395 175.900 0.230 0.000 1.211 270 Y CA 1.645 59.831 58.100 0.144 0.000 1.512 270 Y CB 0.036 38.597 38.460 0.167 0.000 1.249 270 Y HN 0.589 nan 8.280 nan 0.000 0.549 271 G N 4.521 113.198 108.800 -0.205 0.000 2.148 271 G HA2 -0.338 3.622 3.960 0.001 0.000 0.254 271 G HA3 -0.338 3.622 3.960 0.001 0.000 0.254 271 G C 0.437 175.293 174.900 -0.073 0.000 0.981 271 G CA 0.176 45.158 45.100 -0.197 0.000 0.670 271 G HN 0.831 nan 8.290 nan 0.000 0.528 272 R N 1.250 121.726 120.500 -0.040 0.000 2.389 272 R HA 0.466 4.807 4.340 0.001 0.000 0.295 272 R C 0.870 177.084 176.300 -0.144 0.000 1.075 272 R CA 0.491 56.554 56.100 -0.062 0.000 1.005 272 R CB 0.298 30.584 30.300 -0.023 0.000 0.987 272 R HN 0.308 nan 8.270 nan 0.000 0.452 273 T N 1.312 115.758 114.554 -0.179 0.000 2.739 273 T HA 0.247 4.598 4.350 0.001 0.000 0.298 273 T C 0.019 174.615 174.700 -0.173 0.000 0.929 273 T CA -0.864 61.068 62.100 -0.281 0.000 1.014 273 T CB 0.959 69.627 68.868 -0.334 0.000 0.914 273 T HN 0.223 nan 8.240 nan 0.000 0.509 274 V N 4.331 124.136 119.914 -0.182 0.000 2.372 274 V HA 0.204 4.325 4.120 0.001 0.000 0.261 274 V C 0.397 176.419 176.094 -0.121 0.000 1.055 274 V CA -0.863 61.375 62.300 -0.103 0.000 0.930 274 V CB -0.299 31.480 31.823 -0.073 0.000 1.031 274 V HN 1.064 nan 8.190 nan 0.000 0.479 275 C N 3.925 123.196 119.300 -0.050 0.000 2.264 275 C HA 0.312 4.773 4.460 0.001 0.000 0.324 275 C C 0.658 175.639 174.990 -0.014 0.000 1.267 275 C CA -0.860 58.132 59.018 -0.043 0.000 1.618 275 C CB 0.445 28.190 27.740 0.008 0.000 2.278 275 C HN 0.808 nan 8.230 nan 0.000 0.499 276 D N 2.015 122.421 120.400 0.010 0.000 2.551 276 D HA 0.017 4.658 4.640 0.001 0.000 0.223 276 D C 1.285 177.590 176.300 0.008 0.000 1.144 276 D CA 0.232 54.264 54.000 0.054 0.000 1.025 276 D CB 0.135 41.032 40.800 0.162 0.000 1.085 276 D HN 0.755 nan 8.370 nan 0.000 0.506 277 E N 2.112 122.288 120.200 -0.039 0.000 2.110 277 E HA -0.159 4.192 4.350 0.001 0.000 0.193 277 E C 1.159 177.726 176.600 -0.055 0.000 0.988 277 E CA 1.013 57.354 56.400 -0.099 0.000 0.804 277 E CB 0.181 29.797 29.700 -0.140 0.000 0.745 277 E HN 0.501 nan 8.360 nan 0.000 0.458 278 L N -0.713 120.497 121.223 -0.021 0.000 2.607 278 L HA 0.320 4.660 4.340 0.001 0.000 0.228 278 L C 1.273 178.143 176.870 0.000 0.000 1.123 278 L CA 0.204 55.037 54.840 -0.011 0.000 0.890 278 L CB 0.446 42.503 42.059 -0.004 0.000 1.103 278 L HN 0.379 nan 8.230 nan 0.000 0.468 279 G N 0.902 109.710 108.800 0.012 0.000 2.198 279 G HA2 -0.293 3.668 3.960 0.001 0.000 0.260 279 G HA3 -0.293 3.668 3.960 0.001 0.000 0.260 279 G C 0.888 175.796 174.900 0.012 0.000 1.025 279 G CA 0.537 45.648 45.100 0.019 0.000 0.769 279 G HN 0.305 nan 8.290 nan 0.000 0.507 280 V N -2.321 117.604 119.914 0.018 0.000 2.809 280 V HA 0.165 4.286 4.120 0.001 0.000 0.256 280 V C 2.423 178.520 176.094 0.004 0.000 1.080 280 V CA 1.997 64.303 62.300 0.010 0.000 1.102 280 V CB -0.390 31.442 31.823 0.015 0.000 0.705 280 V HN 0.429 nan 8.190 nan 0.000 0.475 281 L N 1.318 122.545 121.223 0.008 0.000 2.492 281 L HA 0.377 4.717 4.340 0.001 0.000 0.223 281 L C 1.991 178.818 176.870 -0.072 0.000 1.132 281 L CA 0.773 55.599 54.840 -0.024 0.000 0.850 281 L CB -0.918 41.135 42.059 -0.011 0.000 0.966 281 L HN 0.593 nan 8.230 nan 0.000 0.454 282 G N 1.099 109.864 108.800 -0.058 0.000 2.249 282 G HA2 -0.288 3.673 3.960 0.001 0.000 0.273 282 G HA3 -0.288 3.673 3.960 0.001 0.000 0.273 282 G C 0.157 174.986 174.900 -0.117 0.000 1.036 282 G CA 0.251 45.310 45.100 -0.068 0.000 0.824 282 G HN 0.367 nan 8.290 nan 0.000 0.504 283 K N 0.159 120.444 120.400 -0.191 0.000 2.156 283 K HA 0.458 4.778 4.320 0.001 0.000 0.254 283 K C -2.386 174.116 176.600 -0.163 0.000 0.950 283 K CA -1.918 54.185 56.287 -0.307 0.000 0.849 283 K CB 1.624 33.638 32.500 -0.809 0.000 1.100 283 K HN -0.030 nan 8.250 nan 0.000 0.434 284 P HA -0.013 nan 4.420 nan 0.000 0.268 284 P C -0.834 176.525 177.300 0.099 0.000 1.204 284 P CA -0.102 63.000 63.100 0.003 0.000 0.768 284 P CB 0.513 32.216 31.700 0.006 0.000 0.842 285 A N 3.159 126.041 122.820 0.104 0.000 2.561 285 A HA 0.061 4.382 4.320 0.001 0.000 0.234 285 A C 0.999 178.665 177.584 0.137 0.000 1.055 285 A CA 0.208 52.327 52.037 0.137 0.000 0.756 285 A CB -0.254 18.791 19.000 0.075 0.000 0.986 285 A HN 0.736 nan 8.150 nan 0.000 0.505 286 N N -0.512 118.277 118.700 0.148 0.000 2.143 286 N HA 0.153 4.894 4.740 0.001 0.000 0.222 286 N C -0.526 175.016 175.510 0.053 0.000 1.264 286 N CA 0.312 53.426 53.050 0.106 0.000 0.897 286 N CB 0.661 39.236 38.487 0.148 0.000 1.092 286 N HN 0.353 nan 8.380 nan 0.000 0.516 287 T N 0.159 114.747 114.554 0.057 0.000 2.993 287 T HA 0.346 4.697 4.350 0.001 0.000 0.312 287 T C -1.112 173.601 174.700 0.021 0.000 1.115 287 T CA -0.759 61.364 62.100 0.038 0.000 1.027 287 T CB 2.307 71.252 68.868 0.129 0.000 1.116 287 T HN -0.046 nan 8.240 nan 0.000 0.464 288 K N 2.183 122.577 120.400 -0.009 0.000 2.263 288 K HA 0.531 4.852 4.320 0.001 0.000 0.282 288 K C -0.584 175.995 176.600 -0.035 0.000 1.089 288 K CA -0.554 55.722 56.287 -0.018 0.000 0.907 288 K CB 0.943 33.432 32.500 -0.018 0.000 1.148 288 K HN 0.280 nan 8.250 nan 0.000 0.470 289 V N 2.638 122.545 119.914 -0.012 0.000 2.432 289 V HA 0.219 4.339 4.120 0.001 0.000 0.275 289 V C 0.863 176.968 176.094 0.019 0.000 1.043 289 V CA -0.855 61.454 62.300 0.015 0.000 0.925 289 V CB 1.422 33.254 31.823 0.016 0.000 0.985 289 V HN 0.897 nan 8.190 nan 0.000 0.466 290 G N 4.225 113.047 108.800 0.036 0.000 2.343 290 G HA2 0.340 4.301 3.960 0.001 0.000 0.254 290 G HA3 0.340 4.301 3.960 0.001 0.000 0.254 290 G C 0.563 175.544 174.900 0.136 0.000 1.277 290 G CA -0.219 44.911 45.100 0.050 0.000 0.909 290 G HN 0.523 nan 8.290 nan 0.000 0.502 291 I N 1.163 121.795 120.570 0.104 0.000 3.132 291 I HA 0.162 4.333 4.170 0.001 0.000 0.255 291 I C 1.473 177.654 176.117 0.107 0.000 1.118 291 I CA 1.110 62.494 61.300 0.141 0.000 1.463 291 I CB -0.656 37.385 38.000 0.068 0.000 1.356 291 I HN 0.565 nan 8.210 nan 0.000 0.463 292 T N -0.260 114.332 114.554 0.062 0.000 2.903 292 T HA 0.718 5.068 4.350 0.001 0.000 0.299 292 T C -0.828 173.889 174.700 0.029 0.000 1.093 292 T CA -0.538 61.588 62.100 0.044 0.000 1.002 292 T CB 2.789 71.681 68.868 0.039 0.000 1.127 292 T HN 0.078 nan 8.240 nan 0.000 0.488 293 I N 1.284 121.870 120.570 0.027 0.000 2.545 293 I HA 0.418 4.588 4.170 0.001 0.000 0.292 293 I C -1.109 175.058 176.117 0.084 0.000 1.040 293 I CA -0.740 60.587 61.300 0.045 0.000 1.068 293 I CB 1.813 39.809 38.000 -0.007 0.000 1.251 293 I HN 0.770 nan 8.210 nan 0.000 0.424 294 D N 5.146 125.630 120.400 0.139 0.000 2.359 294 D HA 0.036 4.677 4.640 0.001 0.000 0.250 294 D C 1.212 177.690 176.300 0.298 0.000 1.264 294 D CA 0.090 54.207 54.000 0.195 0.000 0.911 294 D CB 1.157 42.055 40.800 0.164 0.000 1.056 294 D HN 0.696 nan 8.370 nan 0.000 0.499 295 T N 0.517 115.177 114.554 0.176 0.000 2.951 295 T HA -0.118 4.232 4.350 0.001 0.000 0.268 295 T C 1.179 175.971 174.700 0.153 0.000 1.073 295 T CA 0.524 62.675 62.100 0.085 0.000 1.134 295 T CB 0.142 69.106 68.868 0.161 0.000 0.884 295 T HN 0.160 nan 8.240 nan 0.000 0.479 296 D N 0.701 121.248 120.400 0.244 0.000 2.097 296 D HA -0.062 4.579 4.640 0.001 0.000 0.195 296 D C 1.443 177.874 176.300 0.218 0.000 0.989 296 D CA 1.054 55.203 54.000 0.249 0.000 0.827 296 D CB -0.658 40.263 40.800 0.203 0.000 0.966 296 D HN 0.635 nan 8.370 nan 0.000 0.456 297 W N 0.964 122.305 121.300 0.068 0.000 2.318 297 W HA -0.273 4.387 4.660 0.001 0.000 0.313 297 W C 2.079 178.618 176.519 0.033 0.000 1.221 297 W CA 1.287 58.661 57.345 0.049 0.000 1.266 297 W CB -0.806 28.680 29.460 0.042 0.000 1.150 297 W HN -0.046 nan 8.180 nan 0.000 0.496 298 F N -0.171 119.491 119.950 -0.480 0.000 2.102 298 F HA -0.117 4.410 4.527 0.001 0.000 0.298 298 F C 1.854 177.246 175.800 -0.680 0.000 1.105 298 F CA 2.310 59.725 58.000 -0.975 0.000 1.239 298 F CB -1.152 37.363 39.000 -0.808 0.000 0.991 298 F HN -0.073 nan 8.300 nan 0.000 0.474 299 W N 0.176 121.336 121.300 -0.233 0.000 2.363 299 W HA -0.020 4.640 4.660 0.001 0.000 0.296 299 W C 2.681 179.022 176.519 -0.298 0.000 1.212 299 W CA 0.750 57.932 57.345 -0.272 0.000 1.260 299 W CB -1.198 28.212 29.460 -0.082 0.000 1.131 299 W HN 0.126 nan 8.180 nan 0.000 0.530 300 G N 0.822 109.596 108.800 -0.042 0.000 2.476 300 G HA2 -0.296 3.664 3.960 0.001 0.000 0.218 300 G HA3 -0.296 3.664 3.960 0.001 0.000 0.218 300 G C 1.376 176.168 174.900 -0.181 0.000 1.164 300 G CA 1.173 46.223 45.100 -0.083 0.000 0.768 300 G HN 0.087 nan 8.290 nan 0.000 0.560 301 L N 0.302 121.289 121.223 -0.393 0.000 2.027 301 L HA -0.006 4.335 4.340 0.001 0.000 0.206 301 L C 3.149 179.828 176.870 -0.318 0.000 1.074 301 L CA 0.928 55.526 54.840 -0.404 0.000 0.745 301 L CB -0.607 41.020 42.059 -0.720 0.000 0.898 301 L HN 0.110 nan 8.230 nan 0.000 0.433 302 V N -0.425 119.219 119.914 -0.449 0.000 2.324 302 V HA -0.367 3.754 4.120 0.001 0.000 0.250 302 V C 2.532 178.546 176.094 -0.132 0.000 1.060 302 V CA 2.137 64.272 62.300 -0.273 0.000 1.042 302 V CB -0.601 31.100 31.823 -0.203 0.000 0.650 302 V HN 0.579 nan 8.190 nan 0.000 0.450 303 E N -0.035 120.092 120.200 -0.122 0.000 2.047 303 E HA -0.280 4.070 4.350 0.001 0.000 0.191 303 E C 2.268 178.842 176.600 -0.043 0.000 0.987 303 E CA 1.493 57.840 56.400 -0.089 0.000 0.799 303 E CB -0.152 29.502 29.700 -0.078 0.000 0.752 303 E HN 0.700 nan 8.360 nan 0.000 0.449 304 E N -0.319 119.859 120.200 -0.036 0.000 2.086 304 E HA -0.251 4.099 4.350 0.001 0.000 0.200 304 E C 2.064 178.678 176.600 0.023 0.000 1.012 304 E CA 1.791 58.190 56.400 -0.003 0.000 0.812 304 E CB -0.081 29.637 29.700 0.030 0.000 0.743 304 E HN 0.403 nan 8.360 nan 0.000 0.453 305 C N -0.576 118.759 119.300 0.058 0.000 2.453 305 C HA -0.060 4.401 4.460 0.001 0.000 0.277 305 C C 2.662 177.767 174.990 0.192 0.000 1.262 305 C CA 0.296 59.387 59.018 0.123 0.000 1.718 305 C CB -0.687 27.141 27.740 0.147 0.000 2.031 305 C HN 0.319 nan 8.230 nan 0.000 0.480 306 V N 1.349 121.348 119.914 0.142 0.000 2.343 306 V HA -0.184 3.937 4.120 0.001 0.000 0.247 306 V C 2.682 178.877 176.094 0.169 0.000 1.051 306 V CA 1.689 64.093 62.300 0.172 0.000 1.036 306 V CB -0.628 31.198 31.823 0.006 0.000 0.654 306 V HN 0.450 nan 8.190 nan 0.000 0.451 307 R N 0.488 121.028 120.500 0.067 0.000 2.139 307 R HA -0.137 4.204 4.340 0.001 0.000 0.243 307 R C 2.320 178.636 176.300 0.028 0.000 1.145 307 R CA 1.451 57.572 56.100 0.034 0.000 0.976 307 R CB -1.242 29.056 30.300 -0.002 0.000 0.866 307 R HN 0.587 nan 8.270 nan 0.000 0.449 308 G N -0.848 107.952 108.800 0.002 0.000 2.586 308 G HA2 -0.218 3.743 3.960 0.001 0.000 0.215 308 G HA3 -0.218 3.743 3.960 0.001 0.000 0.215 308 G C 0.798 175.562 174.900 -0.227 0.000 1.128 308 G CA 0.379 45.398 45.100 -0.135 0.000 0.774 308 G HN 0.349 nan 8.290 nan 0.000 0.543 309 Y N -0.131 120.170 120.300 0.001 0.000 2.498 309 Y HA 0.371 4.922 4.550 0.001 0.000 0.259 309 Y C 1.441 177.344 175.900 0.006 0.000 1.086 309 Y CA -1.075 57.031 58.100 0.010 0.000 1.287 309 Y CB 0.318 38.792 38.460 0.023 0.000 1.146 309 Y HN -0.015 nan 8.280 nan 0.000 0.523 310 I N 1.815 122.462 120.570 0.129 0.000 2.880 310 I HA -0.032 4.139 4.170 0.001 0.000 0.296 310 I C 0.740 176.887 176.117 0.049 0.000 1.220 310 I CA 0.389 61.733 61.300 0.073 0.000 1.435 310 I CB -0.025 37.998 38.000 0.039 0.000 1.339 310 I HN 0.141 nan 8.210 nan 0.000 0.583 311 K N 4.127 124.553 120.400 0.043 0.000 2.098 311 K HA 0.686 5.007 4.320 0.001 0.000 0.257 311 K C 0.360 176.970 176.600 0.016 0.000 0.999 311 K CA 0.041 56.347 56.287 0.031 0.000 0.924 311 K CB 0.127 32.647 32.500 0.033 0.000 1.028 311 K HN 0.809 nan 8.250 nan 0.000 0.466 312 T N 0.000 114.560 114.554 0.011 0.000 3.816 312 T HA 0.000 4.351 4.350 0.001 0.000 0.228 312 T CA 0.000 62.103 62.100 0.005 0.000 1.349 312 T CB 0.000 68.869 68.868 0.002 0.000 0.612 312 T HN 0.000 nan 8.240 nan 0.000 0.658