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 2c1x_1_A DATA FIRST_RESID 7 DATA SEQUENCE NPHVAVLAFP FSTHAAPLLA VVRRLAAAAP HAVFSFFSTS QSNASIFXXX DATA SEQUENCE XXXXQCNIKS YDISDGVPEG YVFAGRPQED IELFTRAAPE SFRQGMVMAV DATA SEQUENCE AETGRPVSCL VADAFIWFAA DMAAEMGVAW LPFWTAGPNS LSTHVYIDEI DATA SEQUENCE REKIGVSGIQ GREDELLNFI PGMSKVRFRD LQEGIVFGNL NSLFSRMLHR DATA SEQUENCE MGQVLPKATA VFINSFEELD DSLTNDLKSK LKTYLNIGPF NLITXXXXXX DATA SEQUENCE XXXGCLQWLK ERKPTSVVYI SFGTVTTPPP AEVVALSEAL EASRVPFIWS DATA SEQUENCE LRDKARVHLP EGFLEKTRGY GMVVPWAPQA EVLAHEAVGA FVTHCGWNSL DATA SEQUENCE WESVAGGVPL ICRPFFGDQR LNGRMVEDVL EIGVRIEGGV FTKSGLMSCF DATA SEQUENCE DQILSQEKGK KLRENLRALR ETADRAVGPK GSSTENFITL VDLVSKPKDV 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 7 N HA 0.000 nan 4.740 nan 0.000 0.220 7 N C 0.000 175.516 175.510 0.010 0.000 1.280 7 N CA 0.000 53.081 53.050 0.053 0.000 0.885 7 N CB 0.000 38.530 38.487 0.072 0.000 1.341 8 P HA 0.090 nan 4.420 nan 0.000 0.271 8 P C -1.500 175.752 177.300 -0.080 0.000 1.218 8 P CA 0.399 63.446 63.100 -0.089 0.000 0.780 8 P CB 0.390 31.977 31.700 -0.189 0.000 0.901 9 H N 1.188 120.155 119.070 -0.172 0.000 2.970 9 H HA 0.393 4.933 4.556 -0.026 0.000 0.315 9 H C -1.380 173.849 175.328 -0.165 0.000 0.992 9 H CA -0.917 55.028 56.048 -0.171 0.000 1.363 9 H CB 0.936 30.655 29.762 -0.071 0.000 1.532 9 H HN 0.037 nan 8.280 nan 0.000 0.514 10 V N 4.653 124.477 119.914 -0.149 0.000 2.348 10 V HA 0.365 4.470 4.120 -0.026 0.000 0.270 10 V C 0.530 176.629 176.094 0.009 0.000 1.037 10 V CA -0.456 61.744 62.300 -0.166 0.000 0.872 10 V CB 0.642 32.249 31.823 -0.361 0.000 1.002 10 V HN 0.838 nan 8.190 nan 0.000 0.464 11 A N 5.433 128.248 122.820 -0.009 0.000 2.328 11 A HA 0.711 5.015 4.320 -0.026 0.000 0.284 11 A C -0.393 177.319 177.584 0.212 0.000 1.160 11 A CA -0.333 51.807 52.037 0.172 0.000 0.818 11 A CB 0.742 19.775 19.000 0.055 0.000 1.087 11 A HN 0.688 nan 8.150 nan 0.000 0.504 12 V N 4.382 124.472 119.914 0.293 0.000 2.407 12 V HA 0.312 4.417 4.120 -0.026 0.000 0.291 12 V C -0.439 175.651 176.094 -0.007 0.000 1.018 12 V CA -0.195 62.176 62.300 0.119 0.000 0.842 12 V CB 1.143 33.029 31.823 0.105 0.000 0.996 12 V HN 0.735 nan 8.190 nan 0.000 0.426 13 L N 4.792 125.937 121.223 -0.130 0.000 2.277 13 L HA 0.767 5.092 4.340 -0.026 0.000 0.284 13 L C 0.552 177.317 176.870 -0.175 0.000 1.028 13 L CA -0.388 54.200 54.840 -0.421 0.000 0.835 13 L CB 1.335 42.817 42.059 -0.962 0.000 1.215 13 L HN 0.692 nan 8.230 nan 0.000 0.425 14 A N 3.136 125.956 122.820 0.000 0.000 2.316 14 A HA 0.517 4.822 4.320 -0.026 0.000 0.284 14 A C -0.895 176.906 177.584 0.362 0.000 1.115 14 A CA -0.308 51.823 52.037 0.157 0.000 0.812 14 A CB 0.621 19.698 19.000 0.127 0.000 1.064 14 A HN 0.564 nan 8.150 nan 0.000 0.489 15 F N 4.546 124.585 119.950 0.148 0.000 2.404 15 F HA 0.509 5.020 4.527 -0.026 0.000 0.358 15 F C -1.721 173.999 175.800 -0.132 0.000 1.120 15 F CA -2.347 55.675 58.000 0.037 0.000 1.144 15 F CB 1.765 40.751 39.000 -0.023 0.000 1.133 15 F HN 0.352 nan 8.300 nan 0.000 0.495 16 P HA 0.094 nan 4.420 nan 0.000 0.256 16 P C -0.986 175.585 177.300 -1.215 0.000 1.384 16 P CA 0.431 62.955 63.100 -0.961 0.000 0.879 16 P CB -0.356 30.646 31.700 -1.163 0.000 1.403 17 F N -0.795 118.725 119.950 -0.716 0.000 2.579 17 F HA 0.488 4.999 4.527 -0.026 0.000 0.324 17 F C 1.465 177.310 175.800 0.075 0.000 1.058 17 F CA -0.359 57.433 58.000 -0.347 0.000 0.944 17 F CB 0.913 39.642 39.000 -0.453 0.000 1.245 17 F HN -0.241 nan 8.300 nan 0.000 0.477 18 S N -0.429 115.499 115.700 0.381 0.000 3.109 18 S HA -0.212 4.243 4.470 -0.026 0.000 0.632 18 S C -0.153 174.716 174.600 0.447 0.000 2.927 18 S CA 0.705 59.182 58.200 0.460 0.000 3.233 18 S CB -1.389 62.183 63.200 0.621 0.000 0.325 18 S HN 0.759 nan 8.310 nan 0.000 1.720 19 T N 0.861 115.684 114.554 0.449 0.000 3.400 19 T HA 0.501 4.836 4.350 -0.026 0.000 0.364 19 T C 0.192 175.042 174.700 0.249 0.000 1.636 19 T CA -0.121 62.176 62.100 0.329 0.000 1.211 19 T CB 0.003 69.044 68.868 0.290 0.000 1.180 19 T HN 0.568 nan 8.240 nan 0.000 0.730 20 H N 0.756 119.975 119.070 0.248 0.000 2.381 20 H HA 0.430 4.971 4.556 -0.026 0.000 0.252 20 H C 2.277 177.782 175.328 0.295 0.000 0.920 20 H CA 0.665 56.856 56.048 0.238 0.000 1.100 20 H CB 0.104 30.070 29.762 0.342 0.000 1.435 20 H HN 0.516 nan 8.280 nan 0.000 0.454 21 A N 1.076 124.141 122.820 0.408 0.000 1.930 21 A HA -0.002 4.302 4.320 -0.026 0.000 0.217 21 A C 2.331 180.121 177.584 0.344 0.000 1.175 21 A CA 1.538 53.822 52.037 0.412 0.000 0.627 21 A CB -0.937 18.263 19.000 0.333 0.000 0.815 21 A HN 0.424 nan 8.150 nan 0.000 0.443 22 A N 0.636 123.593 122.820 0.228 0.000 1.851 22 A HA -0.074 4.230 4.320 -0.026 0.000 0.216 22 A C 0.416 178.122 177.584 0.202 0.000 1.195 22 A CA 1.832 53.950 52.037 0.135 0.000 0.622 22 A CB -1.694 17.390 19.000 0.141 0.000 0.831 22 A HN 0.483 nan 8.150 nan 0.000 0.444 23 P HA -0.141 nan 4.420 nan 0.000 0.216 23 P C 1.650 179.271 177.300 0.536 0.000 1.150 23 P CA 1.028 64.441 63.100 0.520 0.000 0.837 23 P CB -0.171 31.901 31.700 0.619 0.000 0.786 24 L N -0.392 121.172 121.223 0.569 0.000 2.017 24 L HA -0.111 4.214 4.340 -0.026 0.000 0.208 24 L C 2.416 179.477 176.870 0.319 0.000 1.073 24 L CA 1.584 56.693 54.840 0.449 0.000 0.745 24 L CB -1.793 40.618 42.059 0.587 0.000 0.894 24 L HN -0.156 nan 8.230 nan 0.000 0.432 25 L N 0.026 121.413 121.223 0.275 0.000 2.042 25 L HA -0.147 4.178 4.340 -0.026 0.000 0.210 25 L C 2.529 179.305 176.870 -0.156 0.000 1.076 25 L CA 2.126 56.901 54.840 -0.109 0.000 0.749 25 L CB -1.231 40.457 42.059 -0.617 0.000 0.893 25 L HN 0.315 nan 8.230 nan 0.000 0.432 26 A N -1.031 121.720 122.820 -0.114 0.000 1.892 26 A HA -0.207 4.097 4.320 -0.026 0.000 0.218 26 A C 2.232 179.604 177.584 -0.354 0.000 1.188 26 A CA 2.472 54.388 52.037 -0.202 0.000 0.631 26 A CB -1.224 17.710 19.000 -0.109 0.000 0.822 26 A HN 0.344 nan 8.150 nan 0.000 0.447 27 V N -0.592 119.085 119.914 -0.395 0.000 2.427 27 V HA -0.200 3.905 4.120 -0.026 0.000 0.248 27 V C 2.497 178.463 176.094 -0.214 0.000 1.051 27 V CA 1.760 63.806 62.300 -0.423 0.000 1.048 27 V CB -0.928 30.694 31.823 -0.335 0.000 0.666 27 V HN 0.350 nan 8.190 nan 0.000 0.456 28 V N 0.065 119.899 119.914 -0.133 0.000 2.343 28 V HA -0.256 3.848 4.120 -0.026 0.000 0.247 28 V C 2.688 178.576 176.094 -0.343 0.000 1.051 28 V CA 2.040 64.238 62.300 -0.170 0.000 1.036 28 V CB -0.775 31.090 31.823 0.070 0.000 0.654 28 V HN 0.472 nan 8.190 nan 0.000 0.451 29 R N -0.119 120.227 120.500 -0.256 0.000 2.096 29 R HA -0.208 4.116 4.340 -0.026 0.000 0.240 29 R C 2.508 178.673 176.300 -0.225 0.000 1.139 29 R CA 1.903 57.857 56.100 -0.242 0.000 0.952 29 R CB -0.426 29.752 30.300 -0.203 0.000 0.854 29 R HN 0.499 nan 8.270 nan 0.000 0.436 30 R N 0.453 120.824 120.500 -0.214 0.000 2.096 30 R HA -0.076 4.249 4.340 -0.026 0.000 0.235 30 R C 2.387 178.733 176.300 0.075 0.000 1.127 30 R CA 1.128 57.147 56.100 -0.136 0.000 0.968 30 R CB -0.347 29.736 30.300 -0.363 0.000 0.861 30 R HN 0.211 nan 8.270 nan 0.000 0.440 31 L N 0.052 121.283 121.223 0.013 0.000 2.056 31 L HA -0.115 4.209 4.340 -0.026 0.000 0.207 31 L C 2.679 179.415 176.870 -0.223 0.000 1.078 31 L CA 1.154 55.949 54.840 -0.075 0.000 0.749 31 L CB -0.574 41.380 42.059 -0.175 0.000 0.901 31 L HN 0.247 nan 8.230 nan 0.000 0.433 32 A N 0.076 122.525 122.820 -0.619 0.000 1.933 32 A HA -0.177 4.127 4.320 -0.026 0.000 0.218 32 A C 2.507 180.044 177.584 -0.078 0.000 1.175 32 A CA 1.779 53.532 52.037 -0.473 0.000 0.628 32 A CB -0.655 18.008 19.000 -0.562 0.000 0.814 32 A HN 0.408 nan 8.150 nan 0.000 0.444 33 A N -0.383 122.391 122.820 -0.076 0.000 1.930 33 A HA 0.245 4.549 4.320 -0.026 0.000 0.217 33 A C 2.410 180.024 177.584 0.050 0.000 1.175 33 A CA 1.810 53.843 52.037 -0.006 0.000 0.627 33 A CB -0.794 18.189 19.000 -0.028 0.000 0.815 33 A HN 1.025 nan 8.150 nan 0.000 0.443 34 A N -1.058 121.808 122.820 0.077 0.000 2.067 34 A HA 0.489 4.793 4.320 -0.026 0.000 0.217 34 A C 1.376 179.038 177.584 0.130 0.000 1.156 34 A CA 1.260 53.365 52.037 0.113 0.000 0.683 34 A CB -0.329 18.767 19.000 0.159 0.000 0.808 34 A HN 1.205 nan 8.150 nan 0.000 0.455 35 A N -0.100 122.815 122.820 0.158 0.000 3.159 35 A HA 0.583 4.888 4.320 -0.026 0.000 0.330 35 A C -1.755 175.944 177.584 0.193 0.000 1.032 35 A CA -0.965 51.195 52.037 0.204 0.000 0.841 35 A CB 0.474 19.557 19.000 0.137 0.000 1.093 35 A HN 0.162 nan 8.150 nan 0.000 0.478 36 P HA -0.167 nan 4.420 nan 0.000 0.230 36 P C 0.870 178.274 177.300 0.174 0.000 1.158 36 P CA 1.164 64.373 63.100 0.181 0.000 0.769 36 P CB -0.178 31.607 31.700 0.141 0.000 0.807 37 H N -0.820 118.297 119.070 0.078 0.000 2.551 37 H HA 0.389 4.929 4.556 -0.026 0.000 0.266 37 H C 0.427 175.775 175.328 0.032 0.000 0.964 37 H CA -0.097 55.978 56.048 0.046 0.000 1.180 37 H CB -0.535 29.243 29.762 0.027 0.000 1.408 37 H HN -0.056 nan 8.280 nan 0.000 0.563 38 A N 2.164 124.710 122.820 -0.457 0.000 2.304 38 A HA 0.525 4.830 4.320 -0.026 0.000 0.301 38 A C 0.342 177.797 177.584 -0.215 0.000 1.132 38 A CA -0.217 51.565 52.037 -0.424 0.000 0.819 38 A CB 1.059 19.695 19.000 -0.607 0.000 1.094 38 A HN 0.300 nan 8.150 nan 0.000 0.492 39 V N -0.770 118.990 119.914 -0.256 0.000 2.532 39 V HA 0.854 4.959 4.120 -0.026 0.000 0.295 39 V C -0.867 175.120 176.094 -0.178 0.000 1.041 39 V CA -0.731 61.512 62.300 -0.094 0.000 0.926 39 V CB 0.848 32.598 31.823 -0.121 0.000 0.992 39 V HN 0.597 nan 8.190 nan 0.000 0.457 40 F N 1.641 121.669 119.950 0.131 0.000 2.493 40 F HA 0.677 5.189 4.527 -0.026 0.000 0.329 40 F C 0.488 176.425 175.800 0.228 0.000 1.126 40 F CA -0.334 57.782 58.000 0.195 0.000 0.937 40 F CB 2.448 41.542 39.000 0.156 0.000 1.146 40 F HN 0.545 nan 8.300 nan 0.000 0.442 41 S N 3.869 119.803 115.700 0.390 0.000 2.530 41 S HA 0.424 4.879 4.470 -0.026 0.000 0.322 41 S C -1.185 173.378 174.600 -0.061 0.000 1.085 41 S CA -0.478 57.849 58.200 0.213 0.000 1.096 41 S CB 0.643 63.958 63.200 0.192 0.000 0.988 41 S HN 0.464 nan 8.310 nan 0.000 0.466 42 F N 4.303 124.176 119.950 -0.129 0.000 2.385 42 F HA 0.590 5.101 4.527 -0.026 0.000 0.360 42 F C -1.299 174.443 175.800 -0.097 0.000 1.122 42 F CA -1.028 56.985 58.000 0.022 0.000 1.090 42 F CB 0.279 39.437 39.000 0.263 0.000 1.150 42 F HN 0.428 nan 8.300 nan 0.000 0.472 43 F N 4.496 124.495 119.950 0.082 0.000 2.411 43 F HA 0.591 5.102 4.527 -0.026 0.000 0.352 43 F C 0.306 176.319 175.800 0.356 0.000 1.123 43 F CA -0.355 57.844 58.000 0.332 0.000 1.044 43 F CB 1.578 40.851 39.000 0.454 0.000 1.135 43 F HN 0.403 nan 8.300 nan 0.000 0.461 44 S N 0.452 116.470 115.700 0.529 0.000 2.688 44 S HA 0.542 4.997 4.470 -0.026 0.000 0.275 44 S C -0.503 174.242 174.600 0.243 0.000 1.175 44 S CA -0.664 57.769 58.200 0.388 0.000 0.818 44 S CB 1.069 64.503 63.200 0.391 0.000 1.157 44 S HN 0.736 nan 8.310 nan 0.000 0.482 45 T N 0.635 115.233 114.554 0.073 0.000 2.802 45 T HA 0.252 4.587 4.350 -0.026 0.000 0.305 45 T C 1.648 176.383 174.700 0.058 0.000 1.053 45 T CA 0.396 62.515 62.100 0.032 0.000 1.058 45 T CB 0.507 69.313 68.868 -0.104 0.000 0.988 45 T HN 0.908 nan 8.240 nan 0.000 0.539 46 S N 1.470 117.199 115.700 0.048 0.000 2.368 46 S HA -0.223 4.231 4.470 -0.026 0.000 0.225 46 S C 1.913 176.528 174.600 0.026 0.000 1.030 46 S CA 1.023 59.250 58.200 0.046 0.000 0.999 46 S CB -0.772 62.449 63.200 0.034 0.000 0.844 46 S HN 0.795 nan 8.310 nan 0.000 0.459 47 Q N 1.839 121.636 119.800 -0.006 0.000 2.084 47 Q HA -0.003 4.322 4.340 -0.026 0.000 0.202 47 Q C 2.464 178.447 176.000 -0.029 0.000 0.978 47 Q CA 1.622 57.409 55.803 -0.027 0.000 0.844 47 Q CB -0.909 27.799 28.738 -0.049 0.000 0.898 47 Q HN 0.639 nan 8.270 nan 0.000 0.426 48 S N 0.278 115.952 115.700 -0.043 0.000 2.355 48 S HA -0.147 4.308 4.470 -0.026 0.000 0.222 48 S C 1.732 176.388 174.600 0.094 0.000 1.031 48 S CA 1.112 59.301 58.200 -0.018 0.000 0.993 48 S CB -0.245 62.910 63.200 -0.076 0.000 0.859 48 S HN 0.342 nan 8.310 nan 0.000 0.453 49 N N 1.992 120.796 118.700 0.173 0.000 2.069 49 N HA -0.048 4.676 4.740 -0.026 0.000 0.191 49 N C 1.960 177.617 175.510 0.245 0.000 1.031 49 N CA 1.516 54.750 53.050 0.307 0.000 0.852 49 N CB -1.013 37.623 38.487 0.248 0.000 1.018 49 N HN 0.545 nan 8.380 nan 0.000 0.423 50 A N 0.129 123.014 122.820 0.109 0.000 1.940 50 A HA -0.158 4.147 4.320 -0.026 0.000 0.219 50 A C 2.501 180.111 177.584 0.044 0.000 1.176 50 A CA 2.114 54.188 52.037 0.062 0.000 0.631 50 A CB -0.889 18.121 19.000 0.016 0.000 0.814 50 A HN 0.348 nan 8.150 nan 0.000 0.446 51 S N -0.231 115.480 115.700 0.018 0.000 2.355 51 S HA -0.108 4.347 4.470 -0.026 0.000 0.222 51 S C 1.925 176.506 174.600 -0.031 0.000 1.031 51 S CA 1.395 59.577 58.200 -0.029 0.000 0.993 51 S CB -0.540 62.629 63.200 -0.051 0.000 0.859 51 S HN 0.705 nan 8.310 nan 0.000 0.453 52 I N -2.399 118.151 120.570 -0.034 0.000 3.030 52 I HA 0.297 4.451 4.170 -0.026 0.000 0.270 52 I C 0.279 176.209 176.117 -0.312 0.000 1.211 52 I CA 0.114 61.310 61.300 -0.173 0.000 1.479 52 I CB -0.228 37.623 38.000 -0.249 0.000 1.105 52 I HN 0.090 nan 8.210 nan 0.000 0.447 62 C N 0.534 119.847 119.300 0.021 0.000 2.437 62 C HA -0.076 4.369 4.460 -0.026 0.000 0.283 62 C C 1.728 176.744 174.990 0.044 0.000 1.424 62 C CA 0.839 59.870 59.018 0.022 0.000 1.782 62 C CB -0.807 26.942 27.740 0.015 0.000 1.833 62 C HN 0.859 nan 8.230 nan 0.000 0.532 63 N N 1.316 120.063 118.700 0.078 0.000 2.521 63 N HA 0.042 4.767 4.740 -0.026 0.000 0.188 63 N C 0.102 175.741 175.510 0.214 0.000 1.146 63 N CA 0.471 53.604 53.050 0.139 0.000 0.893 63 N CB -0.338 38.261 38.487 0.187 0.000 0.975 63 N HN 0.460 nan 8.380 nan 0.000 0.451 64 I N 0.142 120.802 120.570 0.150 0.000 2.377 64 I HA 0.279 4.434 4.170 -0.026 0.000 0.293 64 I C 0.025 176.186 176.117 0.074 0.000 0.987 64 I CA -0.754 60.654 61.300 0.180 0.000 1.185 64 I CB 1.590 39.676 38.000 0.143 0.000 1.341 64 I HN -0.110 nan 8.210 nan 0.000 0.455 65 K N 4.696 125.137 120.400 0.068 0.000 2.443 65 K HA 0.464 4.769 4.320 -0.026 0.000 0.252 65 K C -0.499 175.973 176.600 -0.213 0.000 0.933 65 K CA -0.525 55.676 56.287 -0.144 0.000 0.792 65 K CB 1.692 34.090 32.500 -0.170 0.000 1.185 65 K HN 0.749 nan 8.250 nan 0.000 0.425 66 S N 2.537 117.956 115.700 -0.469 0.000 2.584 66 S HA 0.359 4.813 4.470 -0.026 0.000 0.273 66 S C -0.762 173.520 174.600 -0.530 0.000 1.311 66 S CA -0.315 57.657 58.200 -0.380 0.000 1.034 66 S CB 0.328 63.089 63.200 -0.732 0.000 0.939 66 S HN 0.472 nan 8.310 nan 0.000 0.513 67 Y N -0.090 120.151 120.300 -0.098 0.000 2.406 67 Y HA 0.366 4.900 4.550 -0.026 0.000 0.340 67 Y C -0.542 175.454 175.900 0.161 0.000 0.975 67 Y CA -1.058 57.053 58.100 0.019 0.000 1.056 67 Y CB 1.646 40.142 38.460 0.061 0.000 1.210 67 Y HN 0.600 nan 8.280 nan 0.000 0.448 68 D N 4.110 124.661 120.400 0.251 0.000 2.277 68 D HA 0.368 4.993 4.640 -0.026 0.000 0.249 68 D C -0.320 176.123 176.300 0.237 0.000 1.134 68 D CA -0.029 54.098 54.000 0.210 0.000 0.863 68 D CB 1.126 41.995 40.800 0.114 0.000 1.143 68 D HN 0.425 nan 8.370 nan 0.000 0.458 69 I N -1.612 119.085 120.570 0.212 0.000 3.023 69 I HA 0.467 4.622 4.170 -0.026 0.000 0.312 69 I C 0.307 176.457 176.117 0.055 0.000 1.056 69 I CA -1.167 60.205 61.300 0.119 0.000 1.033 69 I CB 1.268 39.295 38.000 0.046 0.000 1.233 69 I HN 0.080 nan 8.210 nan 0.000 0.462 70 S N 1.010 116.705 115.700 -0.009 0.000 2.562 70 S HA 0.126 4.581 4.470 -0.026 0.000 0.281 70 S C 0.700 175.342 174.600 0.069 0.000 1.333 70 S CA 0.071 58.275 58.200 0.008 0.000 1.052 70 S CB 0.077 63.255 63.200 -0.037 0.000 0.884 70 S HN 0.832 nan 8.310 nan 0.000 0.506 71 D N 2.788 123.259 120.400 0.119 0.000 2.363 71 D HA 0.119 4.744 4.640 -0.026 0.000 0.226 71 D C 1.315 177.745 176.300 0.216 0.000 1.020 71 D CA 0.773 54.920 54.000 0.244 0.000 0.892 71 D CB -0.811 40.084 40.800 0.158 0.000 0.900 71 D HN 0.921 nan 8.370 nan 0.000 0.531 72 G N -0.616 108.215 108.800 0.052 0.000 2.162 72 G HA2 -0.268 3.677 3.960 -0.026 0.000 0.260 72 G HA3 -0.268 3.677 3.960 -0.026 0.000 0.260 72 G C 0.149 174.997 174.900 -0.086 0.000 0.976 72 G CA 0.280 45.358 45.100 -0.038 0.000 0.655 72 G HN 0.414 nan 8.290 nan 0.000 0.533 73 V N 2.393 122.273 119.914 -0.057 0.000 2.408 73 V HA 0.395 4.500 4.120 -0.026 0.000 0.267 73 V C -1.012 175.018 176.094 -0.105 0.000 1.047 73 V CA -1.307 60.896 62.300 -0.161 0.000 0.937 73 V CB 1.042 32.853 31.823 -0.020 0.000 0.999 73 V HN 0.192 nan 8.190 nan 0.000 0.472 74 P HA 0.133 nan 4.420 nan 0.000 0.270 74 P C 0.882 178.212 177.300 0.050 0.000 1.223 74 P CA -0.243 62.844 63.100 -0.021 0.000 0.785 74 P CB 0.977 32.691 31.700 0.023 0.000 0.923 75 E N 1.177 121.406 120.200 0.049 0.000 2.049 75 E HA -0.139 4.196 4.350 -0.026 0.000 0.198 75 E C 1.636 178.284 176.600 0.079 0.000 1.007 75 E CA 1.968 58.403 56.400 0.057 0.000 0.809 75 E CB -0.698 29.026 29.700 0.039 0.000 0.749 75 E HN 0.658 nan 8.360 nan 0.000 0.450 76 G N -1.231 107.617 108.800 0.080 0.000 3.702 76 G HA2 -0.010 3.935 3.960 -0.026 0.000 0.288 76 G HA3 -0.010 3.935 3.960 -0.026 0.000 0.288 76 G C -0.725 174.224 174.900 0.083 0.000 1.193 76 G CA -0.485 44.657 45.100 0.071 0.000 0.952 76 G HN 0.166 nan 8.290 nan 0.000 0.544 77 Y N 1.245 121.528 120.300 -0.028 0.000 2.377 77 Y HA 0.399 4.933 4.550 -0.026 0.000 0.330 77 Y C -0.134 175.730 175.900 -0.059 0.000 1.108 77 Y CA -0.246 57.798 58.100 -0.093 0.000 1.308 77 Y CB 1.130 39.472 38.460 -0.198 0.000 1.216 77 Y HN -0.073 nan 8.280 nan 0.000 0.518 78 V N 8.159 127.779 119.914 -0.491 0.000 2.370 78 V HA 0.172 4.276 4.120 -0.026 0.000 0.279 78 V C -0.356 175.424 176.094 -0.523 0.000 1.029 78 V CA -0.913 61.215 62.300 -0.286 0.000 0.870 78 V CB 0.343 32.055 31.823 -0.186 0.000 0.984 78 V HN 0.573 nan 8.190 nan 0.000 0.451 79 F N 2.817 122.690 119.950 -0.127 0.000 2.529 79 F HA 0.299 4.811 4.527 -0.026 0.000 0.365 79 F C 1.486 177.256 175.800 -0.051 0.000 1.102 79 F CA 0.597 58.614 58.000 0.030 0.000 1.271 79 F CB 1.090 40.176 39.000 0.142 0.000 1.120 79 F HN 0.596 nan 8.300 nan 0.000 0.579 80 A N 2.906 125.796 122.820 0.117 0.000 1.968 80 A HA 0.271 4.576 4.320 -0.026 0.000 0.217 80 A C 1.867 179.520 177.584 0.114 0.000 1.169 80 A CA 1.129 53.207 52.037 0.068 0.000 0.638 80 A CB -1.030 18.001 19.000 0.051 0.000 0.812 80 A HN 1.499 nan 8.150 nan 0.000 0.446 81 G N -1.474 107.442 108.800 0.194 0.000 2.144 81 G HA2 -0.201 3.743 3.960 -0.026 0.000 0.218 81 G HA3 -0.201 3.743 3.960 -0.026 0.000 0.218 81 G C 0.209 175.164 174.900 0.092 0.000 0.988 81 G CA 0.078 45.256 45.100 0.130 0.000 0.659 81 G HN 0.612 nan 8.290 nan 0.000 0.522 82 R N 0.991 121.556 120.500 0.108 0.000 2.694 82 R HA 0.368 4.692 4.340 -0.026 0.000 0.268 82 R C -1.950 174.373 176.300 0.039 0.000 1.061 82 R CA -0.771 55.367 56.100 0.063 0.000 1.133 82 R CB 0.235 30.573 30.300 0.063 0.000 1.020 82 R HN 0.187 nan 8.270 nan 0.000 0.475 83 P HA -0.016 nan 4.420 nan 0.000 0.271 83 P C -0.892 176.350 177.300 -0.098 0.000 1.220 83 P CA 0.082 63.150 63.100 -0.053 0.000 0.768 83 P CB 0.878 32.540 31.700 -0.064 0.000 0.848 84 Q N -0.440 119.272 119.800 -0.146 0.000 2.494 84 Q HA -0.249 4.076 4.340 -0.026 0.000 0.272 84 Q C 0.982 176.892 176.000 -0.149 0.000 1.145 84 Q CA 1.015 56.673 55.803 -0.241 0.000 0.943 84 Q CB -1.575 26.951 28.738 -0.354 0.000 1.338 84 Q HN 0.647 nan 8.270 nan 0.000 0.492 85 E N 0.890 121.083 120.200 -0.012 0.000 2.072 85 E HA -0.217 4.117 4.350 -0.026 0.000 0.191 85 E C 1.457 178.133 176.600 0.127 0.000 0.985 85 E CA 1.496 57.959 56.400 0.105 0.000 0.801 85 E CB 0.208 30.082 29.700 0.290 0.000 0.750 85 E HN 0.580 nan 8.360 nan 0.000 0.452 86 D N 0.747 121.239 120.400 0.154 0.000 2.123 86 D HA -0.225 4.400 4.640 -0.026 0.000 0.196 86 D C 1.951 178.220 176.300 -0.052 0.000 0.992 86 D CA 1.192 55.288 54.000 0.159 0.000 0.833 86 D CB -0.677 40.209 40.800 0.144 0.000 0.954 86 D HN 0.366 nan 8.370 nan 0.000 0.455 87 I N 0.534 120.842 120.570 -0.437 0.000 2.252 87 I HA -0.205 3.950 4.170 -0.026 0.000 0.245 87 I C 2.378 178.504 176.117 0.016 0.000 1.102 87 I CA 1.273 62.260 61.300 -0.522 0.000 1.385 87 I CB -0.397 37.174 38.000 -0.715 0.000 1.064 87 I HN -0.001 nan 8.210 nan 0.000 0.414 88 E N 1.026 121.225 120.200 -0.002 0.000 2.077 88 E HA -0.195 4.139 4.350 -0.026 0.000 0.193 88 E C 2.346 178.998 176.600 0.086 0.000 0.989 88 E CA 1.140 57.584 56.400 0.074 0.000 0.800 88 E CB -0.102 29.615 29.700 0.028 0.000 0.746 88 E HN 0.442 nan 8.360 nan 0.000 0.452 89 L N 0.041 121.289 121.223 0.042 0.000 2.056 89 L HA -0.153 4.171 4.340 -0.026 0.000 0.207 89 L C 2.384 179.296 176.870 0.070 0.000 1.078 89 L CA 0.913 55.737 54.840 -0.027 0.000 0.749 89 L CB -0.354 41.607 42.059 -0.164 0.000 0.901 89 L HN 0.138 nan 8.230 nan 0.000 0.433 90 F N 0.800 120.797 119.950 0.079 0.000 2.069 90 F HA -0.269 4.242 4.527 -0.025 0.000 0.298 90 F C 2.492 178.379 175.800 0.145 0.000 1.113 90 F CA 2.248 60.325 58.000 0.128 0.000 1.214 90 F CB -0.572 38.609 39.000 0.301 0.000 0.978 90 F HN -0.057 nan 8.300 nan 0.000 0.474 91 T N 1.140 115.851 114.554 0.262 0.000 2.720 91 T HA -0.200 4.135 4.350 -0.026 0.000 0.268 91 T C 2.084 176.852 174.700 0.113 0.000 1.037 91 T CA 1.694 63.953 62.100 0.265 0.000 1.144 91 T CB -0.334 68.873 68.868 0.565 0.000 0.864 91 T HN 0.273 nan 8.240 nan 0.000 0.444 92 R N 0.849 121.398 120.500 0.081 0.000 2.081 92 R HA 0.047 4.372 4.340 -0.026 0.000 0.235 92 R C 2.658 178.950 176.300 -0.013 0.000 1.131 92 R CA 1.367 57.501 56.100 0.056 0.000 0.960 92 R CB -0.396 29.922 30.300 0.030 0.000 0.856 92 R HN 0.383 nan 8.270 nan 0.000 0.436 93 A N 0.686 123.440 122.820 -0.109 0.000 2.123 93 A HA 0.158 4.463 4.320 -0.026 0.000 0.214 93 A C 2.221 179.652 177.584 -0.254 0.000 1.152 93 A CA 0.898 52.839 52.037 -0.161 0.000 0.728 93 A CB -0.144 18.752 19.000 -0.174 0.000 0.814 93 A HN 0.333 nan 8.150 nan 0.000 0.464 94 A N 1.167 123.761 122.820 -0.375 0.000 1.892 94 A HA -0.085 4.219 4.320 -0.026 0.000 0.218 94 A C 0.219 177.727 177.584 -0.126 0.000 1.188 94 A CA 1.979 53.703 52.037 -0.520 0.000 0.631 94 A CB -1.679 17.000 19.000 -0.534 0.000 0.822 94 A HN 0.429 nan 8.150 nan 0.000 0.447 95 P HA -0.196 nan 4.420 nan 0.000 0.215 95 P C 1.475 178.777 177.300 0.003 0.000 1.157 95 P CA 1.830 64.986 63.100 0.093 0.000 0.874 95 P CB 0.041 31.783 31.700 0.071 0.000 0.790 96 E N -0.776 119.390 120.200 -0.058 0.000 2.072 96 E HA -0.097 4.238 4.350 -0.026 0.000 0.190 96 E C 2.027 178.564 176.600 -0.105 0.000 0.982 96 E CA 1.427 57.781 56.400 -0.077 0.000 0.803 96 E CB -0.895 28.758 29.700 -0.077 0.000 0.755 96 E HN -0.013 nan 8.360 nan 0.000 0.453 97 S N -0.094 115.496 115.700 -0.183 0.000 2.359 97 S HA -0.159 4.295 4.470 -0.026 0.000 0.223 97 S C 1.655 176.119 174.600 -0.226 0.000 1.039 97 S CA 1.450 59.501 58.200 -0.248 0.000 1.042 97 S CB -0.537 62.401 63.200 -0.437 0.000 0.915 97 S HN 0.284 nan 8.310 nan 0.000 0.439 98 F N 1.501 121.367 119.950 -0.141 0.000 2.134 98 F HA 0.018 4.529 4.527 -0.026 0.000 0.299 98 F C 2.506 178.105 175.800 -0.336 0.000 1.097 98 F CA 0.863 58.715 58.000 -0.247 0.000 1.264 98 F CB -0.627 38.256 39.000 -0.195 0.000 1.001 98 F HN 0.076 nan 8.300 nan 0.000 0.479 99 R N 0.514 120.990 120.500 -0.041 0.000 2.096 99 R HA -0.238 4.087 4.340 -0.026 0.000 0.240 99 R C 2.140 178.372 176.300 -0.113 0.000 1.139 99 R CA 2.171 58.212 56.100 -0.097 0.000 0.952 99 R CB -0.366 29.892 30.300 -0.070 0.000 0.854 99 R HN 0.383 nan 8.270 nan 0.000 0.436 100 Q N -1.106 118.644 119.800 -0.084 0.000 2.084 100 Q HA -0.090 4.234 4.340 -0.026 0.000 0.202 100 Q C 2.150 178.127 176.000 -0.039 0.000 0.978 100 Q CA 1.344 57.116 55.803 -0.051 0.000 0.844 100 Q CB -0.246 28.473 28.738 -0.031 0.000 0.898 100 Q HN 0.548 nan 8.270 nan 0.000 0.426 101 G N 1.138 109.905 108.800 -0.056 0.000 2.476 101 G HA2 -0.275 3.670 3.960 -0.026 0.000 0.218 101 G HA3 -0.275 3.670 3.960 -0.026 0.000 0.218 101 G C 1.424 176.244 174.900 -0.132 0.000 1.164 101 G CA 0.956 46.067 45.100 0.018 0.000 0.768 101 G HN 0.187 nan 8.290 nan 0.000 0.560 102 M N -0.083 119.245 119.600 -0.453 0.000 2.175 102 M HA -0.040 4.425 4.480 -0.026 0.000 0.264 102 M C 2.704 178.947 176.300 -0.094 0.000 1.063 102 M CA 0.685 55.791 55.300 -0.324 0.000 1.119 102 M CB -0.262 32.106 32.600 -0.386 0.000 1.377 102 M HN 0.121 nan 8.290 nan 0.000 0.415 103 V N 0.669 120.535 119.914 -0.079 0.000 2.287 103 V HA -0.347 3.758 4.120 -0.026 0.000 0.248 103 V C 2.395 178.494 176.094 0.009 0.000 1.053 103 V CA 2.225 64.511 62.300 -0.024 0.000 1.027 103 V CB -0.623 31.188 31.823 -0.021 0.000 0.646 103 V HN 0.559 nan 8.190 nan 0.000 0.447 104 M N -0.029 119.581 119.600 0.016 0.000 2.080 104 M HA -0.188 4.276 4.480 -0.026 0.000 0.260 104 M C 2.132 178.447 176.300 0.025 0.000 1.068 104 M CA 2.400 57.734 55.300 0.056 0.000 1.109 104 M CB -0.308 32.366 32.600 0.124 0.000 1.342 104 M HN 0.330 nan 8.290 nan 0.000 0.405 105 A N -0.519 122.224 122.820 -0.128 0.000 1.898 105 A HA -0.095 4.209 4.320 -0.026 0.000 0.216 105 A C 2.032 179.693 177.584 0.128 0.000 1.181 105 A CA 1.762 53.706 52.037 -0.155 0.000 0.620 105 A CB -1.096 17.764 19.000 -0.234 0.000 0.819 105 A HN 0.432 nan 8.150 nan 0.000 0.442 106 V N -0.033 119.986 119.914 0.175 0.000 2.295 106 V HA -0.271 3.834 4.120 -0.026 0.000 0.246 106 V C 3.070 179.214 176.094 0.084 0.000 1.049 106 V CA 1.996 64.398 62.300 0.170 0.000 1.024 106 V CB -1.311 30.577 31.823 0.109 0.000 0.648 106 V HN 0.615 nan 8.190 nan 0.000 0.447 107 A N -0.414 122.445 122.820 0.065 0.000 1.908 107 A HA -0.265 4.039 4.320 -0.026 0.000 0.218 107 A C 2.189 179.806 177.584 0.057 0.000 1.181 107 A CA 2.053 54.122 52.037 0.053 0.000 0.627 107 A CB -0.482 18.549 19.000 0.051 0.000 0.818 107 A HN 0.644 nan 8.150 nan 0.000 0.445 108 E N -0.884 119.364 120.200 0.080 0.000 2.072 108 E HA -0.132 4.203 4.350 -0.026 0.000 0.191 108 E C 2.210 178.834 176.600 0.040 0.000 0.985 108 E CA 1.666 58.117 56.400 0.085 0.000 0.801 108 E CB -0.260 29.541 29.700 0.168 0.000 0.750 108 E HN 0.846 nan 8.360 nan 0.000 0.452 109 T N -2.860 111.693 114.554 -0.000 0.000 3.054 109 T HA 0.134 4.468 4.350 -0.026 0.000 0.259 109 T C 1.652 176.327 174.700 -0.042 0.000 1.092 109 T CA 0.506 62.562 62.100 -0.074 0.000 1.121 109 T CB 0.200 68.901 68.868 -0.279 0.000 0.912 109 T HN 0.274 nan 8.240 nan 0.000 0.489 110 G N 1.882 110.680 108.800 -0.004 0.000 2.203 110 G HA2 -0.281 3.664 3.960 -0.026 0.000 0.263 110 G HA3 -0.281 3.664 3.960 -0.026 0.000 0.263 110 G C 0.030 174.940 174.900 0.017 0.000 1.012 110 G CA 0.110 45.217 45.100 0.012 0.000 0.749 110 G HN 0.679 nan 8.290 nan 0.000 0.512 111 R N 0.174 120.689 120.500 0.024 0.000 2.439 111 R HA 0.396 4.721 4.340 -0.026 0.000 0.310 111 R C -2.714 173.710 176.300 0.206 0.000 0.955 111 R CA -1.998 54.146 56.100 0.074 0.000 0.853 111 R CB 1.945 32.255 30.300 0.016 0.000 1.171 111 R HN 0.044 nan 8.270 nan 0.000 0.449 112 P HA -0.039 nan 4.420 nan 0.000 0.267 112 P C -0.226 177.119 177.300 0.074 0.000 1.200 112 P CA -0.246 62.908 63.100 0.089 0.000 0.772 112 P CB 0.544 32.266 31.700 0.038 0.000 0.855 113 V N 2.548 122.424 119.914 -0.064 0.000 2.599 113 V HA -0.010 4.095 4.120 -0.026 0.000 0.300 113 V C 1.496 177.533 176.094 -0.094 0.000 1.034 113 V CA 1.219 63.383 62.300 -0.227 0.000 1.115 113 V CB 0.361 32.029 31.823 -0.259 0.000 0.934 113 V HN 0.764 nan 8.190 nan 0.000 0.485 114 S N 2.025 117.676 115.700 -0.081 0.000 2.512 114 S HA 0.192 4.646 4.470 -0.026 0.000 0.216 114 S C 0.237 174.819 174.600 -0.029 0.000 1.006 114 S CA -0.121 58.057 58.200 -0.037 0.000 0.915 114 S CB 0.334 63.520 63.200 -0.024 0.000 0.824 114 S HN 0.711 nan 8.310 nan 0.000 0.497 115 C N 0.960 120.236 119.300 -0.041 0.000 3.113 115 C HA 0.688 5.133 4.460 -0.026 0.000 0.376 115 C C -1.915 173.090 174.990 0.025 0.000 1.077 115 C CA -0.758 58.263 59.018 0.004 0.000 1.253 115 C CB 1.017 28.749 27.740 -0.014 0.000 1.637 115 C HN 0.554 nan 8.230 nan 0.000 0.535 116 L N 6.637 127.916 121.223 0.094 0.000 2.295 116 L HA 0.710 5.034 4.340 -0.026 0.000 0.281 116 L C -0.502 176.498 176.870 0.217 0.000 1.018 116 L CA 0.028 54.944 54.840 0.126 0.000 0.841 116 L CB 1.290 43.424 42.059 0.126 0.000 1.218 116 L HN 0.564 nan 8.230 nan 0.000 0.424 117 V N 4.520 124.549 119.914 0.192 0.000 2.481 117 V HA 0.918 5.022 4.120 -0.026 0.000 0.286 117 V C 0.251 176.469 176.094 0.208 0.000 1.042 117 V CA -0.061 62.392 62.300 0.255 0.000 0.928 117 V CB 1.138 33.139 31.823 0.296 0.000 0.986 117 V HN 0.940 nan 8.190 nan 0.000 0.462 118 A N 3.071 126.025 122.820 0.224 0.000 2.604 118 A HA 0.520 4.825 4.320 -0.026 0.000 0.295 118 A C -0.856 176.823 177.584 0.159 0.000 1.067 118 A CA -0.654 51.473 52.037 0.151 0.000 0.683 118 A CB 1.344 20.438 19.000 0.156 0.000 1.281 118 A HN 0.719 nan 8.150 nan 0.000 0.407 119 D N 1.486 121.965 120.400 0.131 0.000 2.488 119 D HA 0.234 4.859 4.640 -0.026 0.000 0.238 119 D C 1.530 177.833 176.300 0.005 0.000 1.138 119 D CA 0.826 54.861 54.000 0.059 0.000 0.873 119 D CB 1.367 42.222 40.800 0.092 0.000 1.183 119 D HN 0.667 nan 8.370 nan 0.000 0.458 120 A N 4.418 127.192 122.820 -0.076 0.000 2.084 120 A HA -0.206 4.098 4.320 -0.026 0.000 0.221 120 A C 1.594 179.223 177.584 0.074 0.000 1.161 120 A CA 0.945 53.036 52.037 0.090 0.000 0.653 120 A CB -0.433 18.694 19.000 0.211 0.000 0.802 120 A HN 0.580 nan 8.150 nan 0.000 0.457 121 F N -0.407 119.277 119.950 -0.443 0.000 2.811 121 F HA 0.208 4.719 4.527 -0.027 0.000 0.301 121 F C 0.502 175.464 175.800 -1.397 0.000 1.151 121 F CA -0.948 56.424 58.000 -1.046 0.000 1.412 121 F CB -0.168 38.047 39.000 -1.308 0.000 1.113 121 F HN 0.024 nan 8.300 nan 0.000 0.579 122 I N 1.006 121.328 120.570 -0.413 0.000 2.294 122 I HA -0.039 4.116 4.170 -0.026 0.000 0.295 122 I C -0.028 175.968 176.117 -0.203 0.000 1.098 122 I CA -0.891 60.298 61.300 -0.185 0.000 1.277 122 I CB -0.625 37.388 38.000 0.021 0.000 1.434 122 I HN -0.015 nan 8.210 nan 0.000 0.498 123 W N 6.732 128.114 121.300 0.136 0.000 2.266 123 W HA 0.181 4.825 4.660 -0.027 0.000 0.317 123 W C 0.466 176.951 176.519 -0.056 0.000 1.310 123 W CA -0.380 56.903 57.345 -0.103 0.000 1.207 123 W CB 0.347 29.652 29.460 -0.258 0.000 1.199 123 W HN 0.464 nan 8.180 nan 0.000 0.544 124 F N -0.987 119.034 119.950 0.117 0.000 2.411 124 F HA -0.336 4.176 4.527 -0.025 0.000 0.393 124 F C 1.651 177.345 175.800 -0.178 0.000 0.576 124 F CA 0.226 58.201 58.000 -0.042 0.000 1.609 124 F CB -2.054 36.952 39.000 0.010 0.000 2.186 124 F HN 0.382 nan 8.300 nan 0.000 0.274 125 A N -0.010 122.764 122.820 -0.078 0.000 1.940 125 A HA 0.106 4.411 4.320 -0.026 0.000 0.219 125 A C 2.382 179.557 177.584 -0.680 0.000 1.176 125 A CA 2.525 54.410 52.037 -0.254 0.000 0.631 125 A CB -0.931 18.015 19.000 -0.090 0.000 0.814 125 A HN 0.862 nan 8.150 nan 0.000 0.446 126 A N 0.352 122.457 122.820 -1.192 0.000 1.908 126 A HA -0.220 4.084 4.320 -0.026 0.000 0.218 126 A C 1.781 179.076 177.584 -0.481 0.000 1.181 126 A CA 1.762 52.985 52.037 -1.356 0.000 0.627 126 A CB -0.604 17.531 19.000 -1.441 0.000 0.818 126 A HN 0.607 nan 8.150 nan 0.000 0.445 127 D N -0.397 119.849 120.400 -0.257 0.000 2.144 127 D HA -0.126 4.498 4.640 -0.026 0.000 0.200 127 D C 2.048 178.276 176.300 -0.119 0.000 0.978 127 D CA 1.454 55.385 54.000 -0.116 0.000 0.833 127 D CB -0.294 40.491 40.800 -0.025 0.000 0.961 127 D HN 0.505 nan 8.370 nan 0.000 0.470 128 M N 1.141 120.667 119.600 -0.124 0.000 2.086 128 M HA -0.126 4.339 4.480 -0.026 0.000 0.261 128 M C 2.566 178.811 176.300 -0.091 0.000 1.067 128 M CA 1.343 56.581 55.300 -0.103 0.000 1.116 128 M CB -0.283 32.262 32.600 -0.091 0.000 1.348 128 M HN -0.032 nan 8.290 nan 0.000 0.407 129 A N 0.506 123.263 122.820 -0.105 0.000 1.902 129 A HA -0.054 4.251 4.320 -0.026 0.000 0.217 129 A C 2.407 179.983 177.584 -0.014 0.000 1.181 129 A CA 1.933 53.955 52.037 -0.026 0.000 0.623 129 A CB -1.006 18.032 19.000 0.063 0.000 0.818 129 A HN 0.494 nan 8.150 nan 0.000 0.443 130 A N -0.363 122.437 122.820 -0.034 0.000 1.883 130 A HA -0.214 4.090 4.320 -0.026 0.000 0.217 130 A C 1.985 179.553 177.584 -0.027 0.000 1.186 130 A CA 2.288 54.314 52.037 -0.019 0.000 0.624 130 A CB -0.536 18.446 19.000 -0.030 0.000 0.822 130 A HN 0.498 nan 8.150 nan 0.000 0.444 131 E N -0.349 119.823 120.200 -0.046 0.000 2.153 131 E HA -0.087 4.248 4.350 -0.026 0.000 0.194 131 E C 1.838 178.415 176.600 -0.038 0.000 0.988 131 E CA 1.435 57.807 56.400 -0.047 0.000 0.811 131 E CB -0.316 29.345 29.700 -0.066 0.000 0.746 131 E HN 0.665 nan 8.360 nan 0.000 0.466 132 M N -1.600 117.978 119.600 -0.037 0.000 2.541 132 M HA 0.184 4.648 4.480 -0.026 0.000 0.252 132 M C 1.089 177.379 176.300 -0.016 0.000 1.125 132 M CA 0.726 56.008 55.300 -0.031 0.000 1.091 132 M CB 0.526 33.102 32.600 -0.041 0.000 1.420 132 M HN 0.223 nan 8.290 nan 0.000 0.486 133 G N 1.893 110.688 108.800 -0.007 0.000 2.225 133 G HA2 -0.165 3.780 3.960 -0.026 0.000 0.264 133 G HA3 -0.165 3.780 3.960 -0.026 0.000 0.264 133 G C -0.111 174.798 174.900 0.015 0.000 1.060 133 G CA 0.209 45.312 45.100 0.005 0.000 0.833 133 G HN 0.531 nan 8.290 nan 0.000 0.498 134 V N -3.623 116.305 119.914 0.024 0.000 3.074 134 V HA 0.983 5.087 4.120 -0.026 0.000 0.314 134 V C 0.626 176.767 176.094 0.078 0.000 1.117 134 V CA -0.733 61.589 62.300 0.036 0.000 1.014 134 V CB 1.630 33.464 31.823 0.018 0.000 1.057 134 V HN 1.836 nan 8.190 nan 0.000 0.438 135 A N 1.836 124.708 122.820 0.087 0.000 2.445 135 A HA 0.467 4.771 4.320 -0.026 0.000 0.242 135 A C -0.725 176.994 177.584 0.225 0.000 1.075 135 A CA -0.009 52.107 52.037 0.132 0.000 0.777 135 A CB -0.028 19.024 19.000 0.088 0.000 1.013 135 A HN 1.472 nan 8.150 nan 0.000 0.493 136 W N 3.381 124.710 121.300 0.049 0.000 2.376 136 W HA 0.585 5.230 4.660 -0.026 0.000 0.312 136 W C -1.508 175.075 176.519 0.107 0.000 1.060 136 W CA -1.085 56.299 57.345 0.065 0.000 1.221 136 W CB 0.808 30.302 29.460 0.057 0.000 1.281 136 W HN 0.424 nan 8.180 nan 0.000 0.456 137 L N 10.280 131.473 121.223 -0.050 0.000 2.445 137 L HA 0.332 4.656 4.340 -0.026 0.000 0.252 137 L C -1.943 174.871 176.870 -0.094 0.000 1.105 137 L CA -1.891 52.916 54.840 -0.054 0.000 0.943 137 L CB 0.892 43.073 42.059 0.205 0.000 1.277 137 L HN 0.201 nan 8.230 nan 0.000 0.465 138 P HA 0.045 nan 4.420 nan 0.000 0.275 138 P C -0.937 176.106 177.300 -0.429 0.000 1.227 138 P CA -0.208 62.685 63.100 -0.346 0.000 0.781 138 P CB 1.162 32.581 31.700 -0.468 0.000 0.906 139 F N 3.981 123.547 119.950 -0.640 0.000 2.404 139 F HA 0.335 4.847 4.527 -0.025 0.000 0.354 139 F C -0.598 174.974 175.800 -0.379 0.000 1.122 139 F CA -1.871 55.568 58.000 -0.935 0.000 1.080 139 F CB 0.415 39.011 39.000 -0.674 0.000 1.131 139 F HN 0.370 nan 8.300 nan 0.000 0.471 140 W N 8.100 129.026 121.300 -0.624 0.000 2.342 140 W HA 0.156 4.800 4.660 -0.028 0.000 0.310 140 W C 0.505 176.355 176.519 -1.117 0.000 1.128 140 W CA 0.019 56.950 57.345 -0.690 0.000 1.322 140 W CB 1.577 30.800 29.460 -0.394 0.000 1.251 140 W HN 0.747 nan 8.180 nan 0.000 0.439 141 T N 2.015 115.623 114.554 -1.575 0.000 3.113 141 T HA 0.247 4.582 4.350 -0.026 0.000 0.256 141 T C 0.690 174.859 174.700 -0.884 0.000 1.131 141 T CA 0.706 61.969 62.100 -1.395 0.000 1.074 141 T CB 0.313 68.501 68.868 -1.134 0.000 0.944 141 T HN 0.312 nan 8.240 nan 0.000 0.516 142 A N 0.773 122.946 122.820 -1.079 0.000 3.521 142 A HA 0.894 5.199 4.320 -0.026 0.000 0.181 142 A C 0.729 177.570 177.584 -1.237 0.000 1.386 142 A CA -0.454 51.048 52.037 -0.892 0.000 0.873 142 A CB 0.080 18.718 19.000 -0.603 0.000 1.634 142 A HN 0.501 nan 8.150 nan 0.000 0.551 143 G N -1.471 106.576 108.800 -1.255 0.000 2.477 143 G HA2 0.501 4.445 3.960 -0.026 0.000 0.304 143 G HA3 0.501 4.445 3.960 -0.026 0.000 0.304 143 G C -1.780 172.856 174.900 -0.440 0.000 1.175 143 G CA -0.961 43.200 45.100 -1.566 0.000 0.907 143 G HN 0.373 nan 8.290 nan 0.000 0.509 144 P HA -0.096 nan 4.420 nan 0.000 0.225 144 P C 1.184 178.386 177.300 -0.164 0.000 1.156 144 P CA 0.754 63.744 63.100 -0.183 0.000 0.787 144 P CB 0.177 31.859 31.700 -0.031 0.000 0.802 145 N N 1.499 120.145 118.700 -0.090 0.000 2.069 145 N HA -0.166 4.559 4.740 -0.026 0.000 0.191 145 N C 1.677 177.165 175.510 -0.038 0.000 1.031 145 N CA 2.406 55.433 53.050 -0.038 0.000 0.852 145 N CB -1.749 36.757 38.487 0.032 0.000 1.018 145 N HN 0.224 nan 8.380 nan 0.000 0.423 146 S N 0.215 115.935 115.700 0.034 0.000 2.406 146 S HA 0.020 4.475 4.470 -0.026 0.000 0.228 146 S C 1.936 176.584 174.600 0.080 0.000 1.020 146 S CA 0.503 58.807 58.200 0.174 0.000 0.965 146 S CB -0.760 62.681 63.200 0.401 0.000 0.798 146 S HN 0.249 nan 8.310 nan 0.000 0.488 147 L N 2.242 123.240 121.223 -0.376 0.000 2.042 147 L HA -0.015 4.309 4.340 -0.026 0.000 0.210 147 L C 2.627 179.180 176.870 -0.528 0.000 1.076 147 L CA 2.080 56.263 54.840 -1.096 0.000 0.749 147 L CB -1.271 39.958 42.059 -1.384 0.000 0.893 147 L HN 0.444 nan 8.230 nan 0.000 0.432 148 S N -1.351 114.167 115.700 -0.303 0.000 2.348 148 S HA -0.217 4.237 4.470 -0.026 0.000 0.221 148 S C 2.123 176.731 174.600 0.013 0.000 1.033 148 S CA 2.090 60.219 58.200 -0.118 0.000 1.010 148 S CB -0.725 62.440 63.200 -0.059 0.000 0.891 148 S HN 0.783 nan 8.310 nan 0.000 0.442 149 T N -0.632 113.890 114.554 -0.054 0.000 2.788 149 T HA -0.118 4.217 4.350 -0.026 0.000 0.268 149 T C 1.780 176.413 174.700 -0.113 0.000 1.044 149 T CA 1.407 63.462 62.100 -0.075 0.000 1.139 149 T CB -0.871 67.904 68.868 -0.155 0.000 0.867 149 T HN 0.536 nan 8.240 nan 0.000 0.454 150 H N 0.607 119.643 119.070 -0.057 0.000 2.353 150 H HA 0.070 4.611 4.556 -0.026 0.000 0.300 150 H C 2.538 177.817 175.328 -0.083 0.000 1.090 150 H CA 1.558 57.577 56.048 -0.047 0.000 1.327 150 H CB -0.430 29.328 29.762 -0.007 0.000 1.383 150 H HN 0.290 nan 8.280 nan 0.000 0.508 151 V N 0.286 120.160 119.914 -0.067 0.000 2.759 151 V HA -0.219 3.886 4.120 -0.026 0.000 0.256 151 V C 1.163 177.096 176.094 -0.267 0.000 1.080 151 V CA 1.358 63.537 62.300 -0.203 0.000 1.101 151 V CB -0.618 30.991 31.823 -0.357 0.000 0.698 151 V HN 0.386 nan 8.190 nan 0.000 0.477 152 Y N -1.353 118.908 120.300 -0.064 0.000 2.571 152 Y HA 0.301 4.836 4.550 -0.025 0.000 0.275 152 Y C 1.747 177.628 175.900 -0.032 0.000 1.179 152 Y CA -0.047 58.030 58.100 -0.038 0.000 1.242 152 Y CB 0.162 38.594 38.460 -0.047 0.000 1.126 152 Y HN 0.163 nan 8.280 nan 0.000 0.524 153 I N -0.045 120.566 120.570 0.068 0.000 2.151 153 I HA -0.367 3.787 4.170 -0.026 0.000 0.243 153 I C 1.645 177.750 176.117 -0.020 0.000 1.080 153 I CA 1.811 63.103 61.300 -0.013 0.000 1.339 153 I CB 0.137 38.111 38.000 -0.043 0.000 1.039 153 I HN 0.224 nan 8.210 nan 0.000 0.409 154 D N 0.599 121.026 120.400 0.046 0.000 2.097 154 D HA -0.206 4.418 4.640 -0.026 0.000 0.195 154 D C 2.078 178.402 176.300 0.040 0.000 0.989 154 D CA 1.481 55.509 54.000 0.047 0.000 0.827 154 D CB -0.269 40.586 40.800 0.091 0.000 0.966 154 D HN 0.458 nan 8.370 nan 0.000 0.456 155 E N 0.570 120.831 120.200 0.102 0.000 2.077 155 E HA -0.107 4.228 4.350 -0.026 0.000 0.193 155 E C 2.297 178.953 176.600 0.094 0.000 0.989 155 E CA 0.495 56.966 56.400 0.119 0.000 0.800 155 E CB -0.199 29.658 29.700 0.263 0.000 0.746 155 E HN 0.340 nan 8.360 nan 0.000 0.452 156 I N 0.419 121.071 120.570 0.138 0.000 2.202 156 I HA -0.262 3.893 4.170 -0.026 0.000 0.242 156 I C 2.384 178.483 176.117 -0.030 0.000 1.091 156 I CA 1.117 62.492 61.300 0.126 0.000 1.368 156 I CB -0.195 37.831 38.000 0.042 0.000 1.058 156 I HN 0.015 nan 8.210 nan 0.000 0.410 157 R N 0.624 121.082 120.500 -0.070 0.000 2.083 157 R HA -0.203 4.121 4.340 -0.026 0.000 0.237 157 R C 2.236 178.483 176.300 -0.088 0.000 1.137 157 R CA 1.662 57.701 56.100 -0.102 0.000 0.951 157 R CB -0.352 29.873 30.300 -0.124 0.000 0.851 157 R HN 0.389 nan 8.270 nan 0.000 0.434 158 E N 0.324 120.481 120.200 -0.072 0.000 2.070 158 E HA -0.228 4.106 4.350 -0.026 0.000 0.197 158 E C 1.907 178.429 176.600 -0.130 0.000 1.004 158 E CA 1.541 57.892 56.400 -0.081 0.000 0.805 158 E CB 0.121 29.783 29.700 -0.063 0.000 0.744 158 E HN 0.041 nan 8.360 nan 0.000 0.451 159 K N 0.029 120.306 120.400 -0.205 0.000 2.076 159 K HA 0.029 4.333 4.320 -0.026 0.000 0.204 159 K C 1.866 178.346 176.600 -0.201 0.000 1.051 159 K CA 0.932 57.023 56.287 -0.327 0.000 0.949 159 K CB 0.058 32.066 32.500 -0.820 0.000 0.726 159 K HN 0.154 nan 8.250 nan 0.000 0.443 160 I N -0.910 119.560 120.570 -0.166 0.000 2.867 160 I HA 0.130 4.284 4.170 -0.026 0.000 0.265 160 I C 0.760 176.835 176.117 -0.070 0.000 1.162 160 I CA 0.283 61.502 61.300 -0.135 0.000 1.471 160 I CB -0.083 37.709 38.000 -0.347 0.000 1.123 160 I HN 0.254 nan 8.210 nan 0.000 0.440 161 G N 1.083 109.835 108.800 -0.079 0.000 2.746 161 G HA2 -0.168 3.777 3.960 -0.026 0.000 0.685 161 G HA3 -0.168 3.777 3.960 -0.026 0.000 0.685 161 G C 0.002 174.874 174.900 -0.048 0.000 1.350 161 G CA -0.302 44.767 45.100 -0.050 0.000 0.837 161 G HN 0.345 nan 8.290 nan 0.000 0.564 162 V N -2.660 117.233 119.914 -0.034 0.000 3.214 162 V HA 0.598 4.702 4.120 -0.026 0.000 0.330 162 V C 1.492 177.585 176.094 -0.001 0.000 1.403 162 V CA 1.324 63.606 62.300 -0.029 0.000 1.143 162 V CB 0.300 32.095 31.823 -0.047 0.000 1.098 162 V HN 1.873 nan 8.190 nan 0.000 0.463 163 S N -0.191 115.515 115.700 0.009 0.000 2.582 163 S HA 0.659 5.113 4.470 -0.026 0.000 0.234 163 S C 0.895 175.517 174.600 0.036 0.000 0.961 163 S CA 0.304 58.515 58.200 0.019 0.000 0.953 163 S CB -0.116 63.092 63.200 0.013 0.000 0.800 163 S HN 1.940 nan 8.310 nan 0.000 0.471 164 G N 1.741 110.575 108.800 0.055 0.000 2.555 164 G HA2 -0.028 3.917 3.960 -0.026 0.000 0.686 164 G HA3 -0.028 3.917 3.960 -0.026 0.000 0.686 164 G C -0.197 174.757 174.900 0.091 0.000 1.275 164 G CA -0.470 44.678 45.100 0.079 0.000 0.871 164 G HN 0.964 nan 8.290 nan 0.000 0.603 165 I N -2.741 117.891 120.570 0.103 0.000 3.947 165 I HA 0.428 4.583 4.170 -0.026 0.000 0.327 165 I C 0.460 176.630 176.117 0.088 0.000 1.519 165 I CA -0.583 60.805 61.300 0.148 0.000 1.122 165 I CB 0.522 38.670 38.000 0.247 0.000 1.146 165 I HN 0.320 nan 8.210 nan 0.000 0.442 166 Q N 2.536 122.359 119.800 0.038 0.000 2.269 166 Q HA 0.347 4.671 4.340 -0.026 0.000 0.300 166 Q C 1.391 177.402 176.000 0.018 0.000 1.070 166 Q CA 1.641 57.449 55.803 0.008 0.000 0.957 166 Q CB 0.279 29.018 28.738 0.000 0.000 1.131 166 Q HN 0.668 nan 8.270 nan 0.000 0.377 167 G N 2.524 111.324 108.800 -0.000 0.000 2.179 167 G HA2 -0.348 3.597 3.960 -0.026 0.000 0.260 167 G HA3 -0.348 3.597 3.960 -0.026 0.000 0.260 167 G C 0.553 175.447 174.900 -0.010 0.000 0.977 167 G CA 0.330 45.426 45.100 -0.007 0.000 0.641 167 G HN 0.576 nan 8.290 nan 0.000 0.533 168 R N -0.702 119.805 120.500 0.012 0.000 2.549 168 R HA 0.237 4.561 4.340 -0.026 0.000 0.399 168 R C 1.387 177.665 176.300 -0.037 0.000 0.964 168 R CA 0.267 56.356 56.100 -0.018 0.000 1.173 168 R CB 0.283 30.647 30.300 0.107 0.000 1.535 168 R HN 0.326 nan 8.270 nan 0.000 0.551 169 E N 1.047 121.248 120.200 0.001 0.000 2.171 169 E HA -0.182 4.152 4.350 -0.026 0.000 0.197 169 E C 0.682 177.263 176.600 -0.031 0.000 0.997 169 E CA 1.244 57.655 56.400 0.019 0.000 0.810 169 E CB 0.059 29.739 29.700 -0.034 0.000 0.738 169 E HN 0.180 nan 8.360 nan 0.000 0.467 170 D N 0.223 120.555 120.400 -0.113 0.000 2.363 170 D HA 0.044 4.669 4.640 -0.026 0.000 0.214 170 D C -0.262 175.898 176.300 -0.233 0.000 1.093 170 D CA 0.053 53.976 54.000 -0.128 0.000 0.837 170 D CB 0.100 40.845 40.800 -0.092 0.000 0.948 170 D HN 0.259 nan 8.370 nan 0.000 0.507 171 E N 0.566 120.485 120.200 -0.468 0.000 2.404 171 E HA 0.185 4.520 4.350 -0.026 0.000 0.261 171 E C 0.159 176.382 176.600 -0.628 0.000 1.074 171 E CA 0.045 56.014 56.400 -0.718 0.000 0.917 171 E CB 1.433 30.355 29.700 -1.296 0.000 0.965 171 E HN 0.088 nan 8.360 nan 0.000 0.433 172 L N 2.457 123.488 121.223 -0.321 0.000 2.325 172 L HA 0.173 4.498 4.340 -0.026 0.000 0.279 172 L C 0.783 177.707 176.870 0.091 0.000 1.054 172 L CA -0.537 54.256 54.840 -0.079 0.000 0.804 172 L CB 0.870 42.894 42.059 -0.059 0.000 1.200 172 L HN 0.431 nan 8.230 nan 0.000 0.436 173 L N 3.773 125.023 121.223 0.045 0.000 2.862 173 L HA 0.013 4.337 4.340 -0.026 0.000 0.240 173 L C 1.051 177.655 176.870 -0.443 0.000 1.283 173 L CA 0.051 54.755 54.840 -0.226 0.000 1.117 173 L CB -0.629 41.281 42.059 -0.248 0.000 1.444 173 L HN 0.773 nan 8.230 nan 0.000 0.456 174 N N -0.640 117.955 118.700 -0.175 0.000 2.550 174 N HA -0.227 4.498 4.740 -0.026 0.000 0.186 174 N C 1.285 176.743 175.510 -0.087 0.000 1.110 174 N CA 0.581 53.561 53.050 -0.117 0.000 0.912 174 N CB -0.614 37.861 38.487 -0.020 0.000 0.968 174 N HN 0.468 nan 8.380 nan 0.000 0.448 175 F N -0.747 119.183 119.950 -0.033 0.000 2.780 175 F HA 0.404 4.916 4.527 -0.025 0.000 0.299 175 F C 0.212 175.920 175.800 -0.154 0.000 1.146 175 F CA -0.657 57.302 58.000 -0.067 0.000 1.428 175 F CB -0.032 38.942 39.000 -0.043 0.000 1.115 175 F HN -0.175 nan 8.300 nan 0.000 0.583 176 I N 3.046 123.278 120.570 -0.563 0.000 2.321 176 I HA 0.329 4.484 4.170 -0.026 0.000 0.291 176 I C -2.427 173.479 176.117 -0.353 0.000 0.998 176 I CA -2.697 58.266 61.300 -0.562 0.000 1.227 176 I CB 0.769 38.326 38.000 -0.738 0.000 1.368 176 I HN -0.202 nan 8.210 nan 0.000 0.466 177 P HA 0.090 nan 4.420 nan 0.000 0.262 177 P C 0.938 178.166 177.300 -0.119 0.000 1.182 177 P CA 0.775 63.795 63.100 -0.133 0.000 0.761 177 P CB 0.532 32.192 31.700 -0.066 0.000 0.795 178 G N 2.972 111.723 108.800 -0.081 0.000 2.184 178 G HA2 -0.272 3.672 3.960 -0.026 0.000 0.264 178 G HA3 -0.272 3.672 3.960 -0.026 0.000 0.264 178 G C 0.567 175.421 174.900 -0.076 0.000 0.975 178 G CA 0.006 45.070 45.100 -0.060 0.000 0.642 178 G HN 0.467 nan 8.290 nan 0.000 0.536 179 M N 1.626 121.151 119.600 -0.125 0.000 2.576 179 M HA 0.228 4.692 4.480 -0.026 0.000 0.322 179 M C 2.132 178.360 176.300 -0.119 0.000 1.184 179 M CA 0.829 56.048 55.300 -0.135 0.000 0.967 179 M CB -0.060 32.410 32.600 -0.218 0.000 1.372 179 M HN 0.491 nan 8.290 nan 0.000 0.509 180 S N 0.418 116.066 115.700 -0.087 0.000 2.419 180 S HA -0.094 4.360 4.470 -0.026 0.000 0.233 180 S C 1.589 176.162 174.600 -0.046 0.000 1.016 180 S CA 0.944 59.105 58.200 -0.067 0.000 0.974 180 S CB -0.195 62.980 63.200 -0.043 0.000 0.786 180 S HN 0.504 nan 8.310 nan 0.000 0.492 181 K N 0.787 121.167 120.400 -0.034 0.000 2.393 181 K HA 0.263 4.568 4.320 -0.026 0.000 0.193 181 K C -0.286 176.307 176.600 -0.012 0.000 1.026 181 K CA -0.029 56.246 56.287 -0.019 0.000 1.064 181 K CB 0.310 32.806 32.500 -0.006 0.000 0.833 181 K HN 0.233 nan 8.250 nan 0.000 0.521 182 V N 3.516 123.418 119.914 -0.020 0.000 2.521 182 V HA 0.047 4.152 4.120 -0.026 0.000 0.286 182 V C 0.509 176.624 176.094 0.034 0.000 1.034 182 V CA -0.058 62.242 62.300 0.001 0.000 1.045 182 V CB 0.432 32.240 31.823 -0.025 0.000 0.974 182 V HN 0.209 nan 8.190 nan 0.000 0.480 183 R N 3.582 124.121 120.500 0.065 0.000 2.536 183 R HA 0.383 4.708 4.340 -0.026 0.000 0.279 183 R C 0.589 177.049 176.300 0.268 0.000 1.001 183 R CA -0.769 55.394 56.100 0.105 0.000 1.027 183 R CB 0.618 30.939 30.300 0.034 0.000 1.096 183 R HN 0.471 nan 8.270 nan 0.000 0.502 184 F N 2.146 122.125 119.950 0.048 0.000 2.085 184 F HA -0.263 4.248 4.527 -0.026 0.000 0.299 184 F C 2.458 178.378 175.800 0.200 0.000 1.096 184 F CA 1.918 59.985 58.000 0.112 0.000 1.227 184 F CB -0.687 38.376 39.000 0.106 0.000 0.983 184 F HN 0.573 nan 8.300 nan 0.000 0.482 185 R N 0.100 120.782 120.500 0.304 0.000 2.193 185 R HA -0.129 4.195 4.340 -0.026 0.000 0.229 185 R C 1.208 177.653 176.300 0.242 0.000 1.110 185 R CA 1.742 57.943 56.100 0.168 0.000 0.988 185 R CB -0.775 29.536 30.300 0.020 0.000 0.871 185 R HN 0.147 nan 8.270 nan 0.000 0.458 186 D N 1.093 121.619 120.400 0.210 0.000 2.317 186 D HA 0.037 4.661 4.640 -0.026 0.000 0.211 186 D C 0.619 177.025 176.300 0.177 0.000 0.966 186 D CA 0.448 54.545 54.000 0.162 0.000 0.876 186 D CB -0.018 40.843 40.800 0.102 0.000 0.927 186 D HN 0.225 nan 8.370 nan 0.000 0.519 187 L N 1.405 122.747 121.223 0.199 0.000 2.483 187 L HA -0.007 4.318 4.340 -0.026 0.000 0.276 187 L C 0.684 177.526 176.870 -0.046 0.000 1.213 187 L CA -0.235 54.616 54.840 0.018 0.000 0.843 187 L CB 0.252 42.243 42.059 -0.113 0.000 1.107 187 L HN -0.174 nan 8.230 nan 0.000 0.487 188 Q N 1.464 121.198 119.800 -0.109 0.000 2.432 188 Q HA 0.084 4.409 4.340 -0.026 0.000 0.264 188 Q C -0.551 175.293 176.000 -0.260 0.000 1.035 188 Q CA -0.150 55.619 55.803 -0.057 0.000 0.908 188 Q CB 0.266 29.001 28.738 -0.004 0.000 1.280 188 Q HN 0.333 nan 8.270 nan 0.000 0.455 189 E N 0.355 120.510 120.200 -0.076 0.000 2.442 189 E HA 0.287 4.621 4.350 -0.026 0.000 0.262 189 E C 0.889 177.402 176.600 -0.145 0.000 1.004 189 E CA 1.386 57.716 56.400 -0.117 0.000 0.928 189 E CB 0.196 29.974 29.700 0.130 0.000 0.937 189 E HN 0.762 nan 8.360 nan 0.000 0.446 190 G N 2.154 110.832 108.800 -0.204 0.000 2.195 190 G HA2 -0.228 3.716 3.960 -0.026 0.000 0.224 190 G HA3 -0.228 3.716 3.960 -0.026 0.000 0.224 190 G C 0.742 175.496 174.900 -0.244 0.000 0.990 190 G CA 0.155 45.152 45.100 -0.173 0.000 0.639 190 G HN 0.393 nan 8.290 nan 0.000 0.514 191 I N 0.568 120.929 120.570 -0.348 0.000 2.522 191 I HA 0.148 4.303 4.170 -0.026 0.000 0.240 191 I C 2.545 178.479 176.117 -0.306 0.000 1.078 191 I CA 2.399 63.496 61.300 -0.338 0.000 1.422 191 I CB -0.836 36.944 38.000 -0.366 0.000 1.188 191 I HN 0.645 nan 8.210 nan 0.000 0.442 192 V N -2.897 116.799 119.914 -0.364 0.000 3.392 192 V HA 0.335 4.439 4.120 -0.026 0.000 0.294 192 V C -0.142 175.934 176.094 -0.030 0.000 1.561 192 V CA -0.390 61.797 62.300 -0.187 0.000 1.056 192 V CB -0.023 31.716 31.823 -0.140 0.000 0.882 192 V HN 0.234 nan 8.190 nan 0.000 0.440 193 F N -1.454 118.472 119.950 -0.041 0.000 2.686 193 F HA 1.008 5.520 4.527 -0.026 0.000 0.311 193 F C 0.049 175.852 175.800 0.004 0.000 1.128 193 F CA -0.802 57.191 58.000 -0.012 0.000 0.946 193 F CB 0.864 39.867 39.000 0.004 0.000 1.336 193 F HN 0.732 nan 8.300 nan 0.000 0.457 194 G N 1.463 110.458 108.800 0.324 0.000 2.610 194 G HA2 -0.069 3.875 3.960 -0.026 0.000 0.304 194 G HA3 -0.069 3.875 3.960 -0.026 0.000 0.304 194 G C -1.491 173.464 174.900 0.091 0.000 1.309 194 G CA -0.567 44.648 45.100 0.192 0.000 0.906 194 G HN 1.223 nan 8.290 nan 0.000 0.521 195 N N 0.507 119.247 118.700 0.067 0.000 2.466 195 N HA 0.290 5.015 4.740 -0.026 0.000 0.263 195 N C 1.514 177.029 175.510 0.008 0.000 1.178 195 N CA -0.408 52.665 53.050 0.038 0.000 0.983 195 N CB 0.428 38.938 38.487 0.039 0.000 1.331 195 N HN 0.469 nan 8.380 nan 0.000 0.500 196 L N 2.851 124.069 121.223 -0.009 0.000 2.456 196 L HA 0.044 4.368 4.340 -0.026 0.000 0.224 196 L C 1.541 178.388 176.870 -0.039 0.000 1.148 196 L CA 0.914 55.728 54.840 -0.043 0.000 0.825 196 L CB -0.557 41.470 42.059 -0.053 0.000 0.937 196 L HN 0.553 nan 8.230 nan 0.000 0.450 197 N N -1.645 117.043 118.700 -0.019 0.000 2.254 197 N HA 0.016 4.740 4.740 -0.026 0.000 0.190 197 N C 0.652 176.152 175.510 -0.017 0.000 1.107 197 N CA 0.175 53.215 53.050 -0.017 0.000 0.869 197 N CB 0.404 38.887 38.487 -0.007 0.000 0.983 197 N HN 0.250 nan 8.380 nan 0.000 0.487 198 S N -0.286 115.408 115.700 -0.010 0.000 2.580 198 S HA -0.040 4.414 4.470 -0.026 0.000 0.266 198 S C 1.400 175.986 174.600 -0.023 0.000 1.354 198 S CA -0.531 57.669 58.200 0.001 0.000 1.008 198 S CB 0.751 63.970 63.200 0.032 0.000 0.898 198 S HN 0.233 nan 8.310 nan 0.000 0.555 199 L N 1.140 122.358 121.223 -0.008 0.000 2.012 199 L HA 0.034 4.359 4.340 -0.026 0.000 0.210 199 L C 2.106 178.916 176.870 -0.099 0.000 1.073 199 L CA 1.890 56.706 54.840 -0.040 0.000 0.748 199 L CB -1.051 41.014 42.059 0.010 0.000 0.891 199 L HN 0.798 nan 8.230 nan 0.000 0.431 200 F N -0.023 119.800 119.950 -0.212 0.000 2.126 200 F HA -0.212 4.299 4.527 -0.027 0.000 0.299 200 F C 2.585 178.171 175.800 -0.357 0.000 1.096 200 F CA 1.724 59.544 58.000 -0.301 0.000 1.255 200 F CB -0.732 38.184 39.000 -0.141 0.000 0.997 200 F HN 0.135 nan 8.300 nan 0.000 0.479 201 S N 0.082 115.677 115.700 -0.175 0.000 2.356 201 S HA -0.182 4.272 4.470 -0.026 0.000 0.223 201 S C 2.030 176.482 174.600 -0.247 0.000 1.032 201 S CA 1.351 59.420 58.200 -0.218 0.000 1.005 201 S CB -0.285 62.850 63.200 -0.109 0.000 0.867 201 S HN 0.362 nan 8.310 nan 0.000 0.449 202 R N 0.315 120.683 120.500 -0.221 0.000 2.092 202 R HA 0.069 4.393 4.340 -0.026 0.000 0.231 202 R C 2.262 178.340 176.300 -0.371 0.000 1.119 202 R CA 1.073 57.057 56.100 -0.193 0.000 0.970 202 R CB -0.236 29.970 30.300 -0.156 0.000 0.864 202 R HN 0.338 nan 8.270 nan 0.000 0.440 203 M N 0.002 119.197 119.600 -0.674 0.000 2.156 203 M HA -0.085 4.379 4.480 -0.026 0.000 0.264 203 M C 2.072 177.672 176.300 -1.167 0.000 1.067 203 M CA 1.187 55.769 55.300 -1.198 0.000 1.131 203 M CB -0.628 30.787 32.600 -1.975 0.000 1.368 203 M HN 0.098 nan 8.290 nan 0.000 0.416 204 L N -0.458 120.203 121.223 -0.936 0.000 2.042 204 L HA -0.219 4.105 4.340 -0.026 0.000 0.210 204 L C 2.519 179.326 176.870 -0.106 0.000 1.076 204 L CA 1.879 56.455 54.840 -0.440 0.000 0.749 204 L CB -1.620 40.185 42.059 -0.424 0.000 0.893 204 L HN 0.468 nan 8.230 nan 0.000 0.432 205 H N -0.699 118.229 119.070 -0.237 0.000 2.290 205 H HA -0.186 4.355 4.556 -0.025 0.000 0.298 205 H C 2.550 177.811 175.328 -0.111 0.000 1.087 205 H CA 1.514 57.486 56.048 -0.127 0.000 1.291 205 H CB 0.277 29.953 29.762 -0.143 0.000 1.369 205 H HN 0.122 nan 8.280 nan 0.000 0.492 206 R N 0.516 120.901 120.500 -0.191 0.000 2.081 206 R HA -0.167 4.157 4.340 -0.026 0.000 0.235 206 R C 2.594 178.850 176.300 -0.073 0.000 1.131 206 R CA 1.577 57.541 56.100 -0.227 0.000 0.960 206 R CB -0.363 29.763 30.300 -0.291 0.000 0.856 206 R HN 0.459 nan 8.270 nan 0.000 0.436 207 M N -0.255 119.342 119.600 -0.006 0.000 2.073 207 M HA -0.163 4.302 4.480 -0.026 0.000 0.258 207 M C 2.016 178.415 176.300 0.164 0.000 1.070 207 M CA 2.428 57.847 55.300 0.198 0.000 1.103 207 M CB -0.642 32.176 32.600 0.364 0.000 1.321 207 M HN 0.264 nan 8.290 nan 0.000 0.405 208 G N -0.347 108.527 108.800 0.124 0.000 2.469 208 G HA2 -0.265 3.680 3.960 -0.026 0.000 0.220 208 G HA3 -0.265 3.680 3.960 -0.026 0.000 0.220 208 G C 1.301 176.227 174.900 0.042 0.000 1.136 208 G CA 0.977 46.134 45.100 0.095 0.000 0.759 208 G HN 0.668 nan 8.290 nan 0.000 0.562 209 Q N -0.572 119.246 119.800 0.030 0.000 2.172 209 Q HA 0.040 4.364 4.340 -0.026 0.000 0.200 209 Q C 2.650 178.667 176.000 0.028 0.000 0.964 209 Q CA 0.949 56.749 55.803 -0.006 0.000 0.855 209 Q CB 0.094 28.788 28.738 -0.074 0.000 0.918 209 Q HN 0.449 nan 8.270 nan 0.000 0.444 210 V N 0.417 120.382 119.914 0.085 0.000 3.174 210 V HA -0.096 4.008 4.120 -0.026 0.000 0.254 210 V C 1.981 178.272 176.094 0.328 0.000 1.120 210 V CA 0.536 62.934 62.300 0.163 0.000 1.114 210 V CB -0.194 31.693 31.823 0.108 0.000 0.756 210 V HN 0.287 nan 8.190 nan 0.000 0.467 211 L N 0.462 121.853 121.223 0.280 0.000 2.051 211 L HA -0.182 4.143 4.340 -0.026 0.000 0.214 211 L C -0.142 176.757 176.870 0.048 0.000 1.076 211 L CA 2.029 56.967 54.840 0.164 0.000 0.758 211 L CB -1.666 40.403 42.059 0.016 0.000 0.890 211 L HN 0.362 nan 8.230 nan 0.000 0.433 212 P HA -0.172 nan 4.420 nan 0.000 0.223 212 P C 0.911 178.244 177.300 0.054 0.000 1.144 212 P CA 1.314 64.411 63.100 -0.006 0.000 0.783 212 P CB 0.005 31.684 31.700 -0.035 0.000 0.771 213 K N -1.085 119.405 120.400 0.151 0.000 2.393 213 K HA 0.240 4.545 4.320 -0.026 0.000 0.193 213 K C 0.915 177.673 176.600 0.263 0.000 1.026 213 K CA -0.210 56.192 56.287 0.192 0.000 1.064 213 K CB 0.023 32.647 32.500 0.207 0.000 0.833 213 K HN 0.052 nan 8.250 nan 0.000 0.521 214 A N 1.135 124.075 122.820 0.200 0.000 2.520 214 A HA -0.003 4.301 4.320 -0.026 0.000 0.235 214 A C 1.169 178.763 177.584 0.016 0.000 1.065 214 A CA 0.111 52.140 52.037 -0.014 0.000 0.764 214 A CB 0.151 18.753 19.000 -0.664 0.000 1.002 214 A HN 0.204 nan 8.150 nan 0.000 0.502 215 T N 1.009 115.591 114.554 0.048 0.000 2.665 215 T HA 0.130 4.465 4.350 -0.026 0.000 0.268 215 T C 0.822 175.527 174.700 0.008 0.000 1.035 215 T CA 2.050 64.174 62.100 0.040 0.000 1.151 215 T CB -0.265 68.639 68.868 0.060 0.000 0.862 215 T HN 1.566 nan 8.240 nan 0.000 0.438 216 A N -0.140 122.661 122.820 -0.031 0.000 2.577 216 A HA 0.604 4.908 4.320 -0.026 0.000 0.297 216 A C -1.390 176.189 177.584 -0.008 0.000 1.060 216 A CA -0.742 51.305 52.037 0.016 0.000 0.697 216 A CB 1.442 20.481 19.000 0.064 0.000 1.281 216 A HN 0.063 nan 8.150 nan 0.000 0.402 217 V N 2.570 122.511 119.914 0.045 0.000 2.398 217 V HA 0.656 4.761 4.120 -0.026 0.000 0.286 217 V C -0.398 175.838 176.094 0.237 0.000 1.026 217 V CA -0.256 62.066 62.300 0.037 0.000 0.868 217 V CB 0.567 32.393 31.823 0.004 0.000 0.982 217 V HN 0.890 nan 8.190 nan 0.000 0.443 218 F N 4.234 124.274 119.950 0.150 0.000 2.556 218 F HA 0.921 5.432 4.527 -0.026 0.000 0.327 218 F C -0.725 175.304 175.800 0.382 0.000 1.059 218 F CA -1.334 56.781 58.000 0.192 0.000 0.953 218 F CB 1.622 40.710 39.000 0.148 0.000 1.227 218 F HN 0.423 nan 8.300 nan 0.000 0.478 219 I N 1.863 122.716 120.570 0.471 0.000 2.775 219 I HA 0.311 4.466 4.170 -0.026 0.000 0.295 219 I C -1.388 174.925 176.117 0.326 0.000 1.287 219 I CA -0.792 60.721 61.300 0.355 0.000 1.029 219 I CB 2.089 40.210 38.000 0.202 0.000 1.282 219 I HN 0.810 nan 8.210 nan 0.000 0.426 220 N N 4.868 123.680 118.700 0.187 0.000 2.895 220 N HA 0.291 5.015 4.740 -0.026 0.000 0.277 220 N C -1.223 174.298 175.510 0.018 0.000 1.185 220 N CA 0.465 53.376 53.050 -0.232 0.000 1.106 220 N CB 0.100 38.194 38.487 -0.654 0.000 1.422 220 N HN 0.614 nan 8.380 nan 0.000 0.521 221 S N 1.399 117.122 115.700 0.039 0.000 2.672 221 S HA 0.668 5.123 4.470 -0.026 0.000 0.271 221 S C -1.756 172.893 174.600 0.081 0.000 1.171 221 S CA -0.818 57.403 58.200 0.035 0.000 0.817 221 S CB 0.181 63.457 63.200 0.127 0.000 1.150 221 S HN 0.269 nan 8.310 nan 0.000 0.478 222 F N 0.587 120.467 119.950 -0.118 0.000 2.532 222 F HA 0.669 5.180 4.527 -0.028 0.000 0.321 222 F C 0.956 176.752 175.800 -0.007 0.000 1.089 222 F CA -0.848 57.113 58.000 -0.065 0.000 0.926 222 F CB 1.024 39.976 39.000 -0.080 0.000 1.168 222 F HN 0.659 nan 8.300 nan 0.000 0.459 223 E N 1.176 121.388 120.200 0.020 0.000 2.130 223 E HA -0.228 4.107 4.350 -0.026 0.000 0.196 223 E C 0.977 177.536 176.600 -0.068 0.000 0.998 223 E CA 2.280 58.666 56.400 -0.023 0.000 0.806 223 E CB -0.056 29.665 29.700 0.036 0.000 0.738 223 E HN 0.797 nan 8.360 nan 0.000 0.459 224 E N 0.372 120.585 120.200 0.021 0.000 2.511 224 E HA -0.076 4.258 4.350 -0.026 0.000 0.196 224 E C 1.551 178.080 176.600 -0.118 0.000 1.066 224 E CA -0.072 56.376 56.400 0.079 0.000 0.871 224 E CB 0.033 29.912 29.700 0.298 0.000 0.863 224 E HN 0.103 nan 8.360 nan 0.000 0.520 225 L N 0.899 121.648 121.223 -0.790 0.000 2.043 225 L HA -0.114 4.211 4.340 -0.026 0.000 0.212 225 L C 0.115 176.886 176.870 -0.166 0.000 1.075 225 L CA 1.671 56.101 54.840 -0.683 0.000 0.752 225 L CB 0.317 41.858 42.059 -0.863 0.000 0.891 225 L HN 0.002 nan 8.230 nan 0.000 0.432 226 D N -1.718 118.610 120.400 -0.120 0.000 2.354 226 D HA 0.060 4.685 4.640 -0.026 0.000 0.230 226 D C 0.013 176.310 176.300 -0.006 0.000 1.361 226 D CA -0.235 53.752 54.000 -0.023 0.000 0.992 226 D CB 0.616 41.416 40.800 0.000 0.000 1.409 226 D HN 0.024 nan 8.370 nan 0.000 0.573 227 D N 1.113 121.521 120.400 0.014 0.000 2.144 227 D HA -0.114 4.511 4.640 -0.026 0.000 0.199 227 D C 1.577 177.896 176.300 0.032 0.000 0.984 227 D CA 1.012 55.029 54.000 0.029 0.000 0.834 227 D CB 0.372 41.196 40.800 0.038 0.000 0.955 227 D HN 0.300 nan 8.370 nan 0.000 0.465 228 S N 0.669 116.382 115.700 0.022 0.000 2.368 228 S HA -0.111 4.344 4.470 -0.026 0.000 0.224 228 S C 1.892 176.500 174.600 0.014 0.000 1.029 228 S CA 0.259 58.470 58.200 0.017 0.000 0.988 228 S CB -0.205 63.000 63.200 0.008 0.000 0.838 228 S HN 0.149 nan 8.310 nan 0.000 0.462 229 L N 2.081 123.308 121.223 0.008 0.000 2.017 229 L HA -0.100 4.224 4.340 -0.026 0.000 0.208 229 L C 2.263 179.142 176.870 0.014 0.000 1.073 229 L CA 1.941 56.779 54.840 -0.003 0.000 0.745 229 L CB -1.548 40.507 42.059 -0.007 0.000 0.894 229 L HN 0.199 nan 8.230 nan 0.000 0.432 230 T N 0.336 114.930 114.554 0.067 0.000 2.635 230 T HA -0.194 4.141 4.350 -0.026 0.000 0.267 230 T C 1.714 176.490 174.700 0.125 0.000 1.040 230 T CA 1.822 64.023 62.100 0.168 0.000 1.156 230 T CB -0.396 68.555 68.868 0.138 0.000 0.863 230 T HN 0.388 nan 8.240 nan 0.000 0.430 231 N N 0.935 119.678 118.700 0.072 0.000 2.120 231 N HA -0.091 4.634 4.740 -0.026 0.000 0.188 231 N C 1.695 177.224 175.510 0.030 0.000 1.024 231 N CA 1.199 54.283 53.050 0.055 0.000 0.852 231 N CB -0.626 37.886 38.487 0.042 0.000 1.003 231 N HN 0.438 nan 8.380 nan 0.000 0.424 232 D N 0.427 120.835 120.400 0.015 0.000 2.117 232 D HA -0.026 4.599 4.640 -0.026 0.000 0.197 232 D C 2.011 178.281 176.300 -0.050 0.000 0.987 232 D CA 0.670 54.676 54.000 0.011 0.000 0.829 232 D CB -0.064 40.757 40.800 0.035 0.000 0.961 232 D HN 0.144 nan 8.370 nan 0.000 0.460 233 L N 0.001 121.137 121.223 -0.144 0.000 2.093 233 L HA -0.094 4.230 4.340 -0.026 0.000 0.208 233 L C 2.391 179.099 176.870 -0.270 0.000 1.085 233 L CA 0.999 55.615 54.840 -0.374 0.000 0.755 233 L CB -0.282 41.261 42.059 -0.859 0.000 0.904 233 L HN -0.005 nan 8.230 nan 0.000 0.435 234 K N -0.253 120.113 120.400 -0.056 0.000 2.280 234 K HA -0.135 4.170 4.320 -0.026 0.000 0.202 234 K C 2.276 178.876 176.600 0.001 0.000 1.047 234 K CA 1.503 57.821 56.287 0.052 0.000 0.942 234 K CB -0.116 32.458 32.500 0.123 0.000 0.739 234 K HN 0.375 nan 8.250 nan 0.000 0.457 235 S N 0.435 116.122 115.700 -0.023 0.000 2.470 235 S HA 0.024 4.478 4.470 -0.026 0.000 0.225 235 S C 1.658 176.226 174.600 -0.053 0.000 1.006 235 S CA 0.505 58.694 58.200 -0.019 0.000 0.934 235 S CB 0.183 63.384 63.200 0.002 0.000 0.778 235 S HN 0.077 nan 8.310 nan 0.000 0.517 236 K N 0.437 120.772 120.400 -0.109 0.000 2.352 236 K HA 0.411 4.715 4.320 -0.026 0.000 0.194 236 K C 0.234 176.747 176.600 -0.145 0.000 1.038 236 K CA 0.173 56.362 56.287 -0.164 0.000 1.023 236 K CB 0.143 32.469 32.500 -0.290 0.000 0.840 236 K HN 0.427 nan 8.250 nan 0.000 0.519 237 L N 0.437 121.587 121.223 -0.122 0.000 2.341 237 L HA 0.314 4.638 4.340 -0.026 0.000 0.267 237 L C 1.333 178.191 176.870 -0.021 0.000 1.009 237 L CA -0.685 54.103 54.840 -0.087 0.000 0.819 237 L CB 1.908 43.895 42.059 -0.122 0.000 1.323 237 L HN -0.214 nan 8.230 nan 0.000 0.425 238 K N 0.017 120.415 120.400 -0.003 0.000 2.002 238 K HA -0.001 4.303 4.320 -0.026 0.000 0.209 238 K C -0.071 176.551 176.600 0.036 0.000 1.048 238 K CA 1.224 57.521 56.287 0.018 0.000 0.930 238 K CB 0.042 32.557 32.500 0.024 0.000 0.714 238 K HN 0.580 nan 8.250 nan 0.000 0.438 239 T N -0.351 114.234 114.554 0.051 0.000 2.971 239 T HA 0.270 4.604 4.350 -0.026 0.000 0.304 239 T C -1.907 172.881 174.700 0.148 0.000 1.038 239 T CA -0.655 61.494 62.100 0.081 0.000 1.007 239 T CB 1.403 70.303 68.868 0.053 0.000 1.055 239 T HN 0.064 nan 8.240 nan 0.000 0.451 240 Y N 3.850 124.154 120.300 0.006 0.000 2.329 240 Y HA 0.675 5.209 4.550 -0.027 0.000 0.328 240 Y C -1.866 174.065 175.900 0.052 0.000 0.992 240 Y CA -1.566 56.542 58.100 0.012 0.000 1.151 240 Y CB 0.832 39.277 38.460 -0.024 0.000 1.150 240 Y HN 0.558 nan 8.280 nan 0.000 0.450 241 L N 7.162 128.231 121.223 -0.257 0.000 2.353 241 L HA 0.412 4.737 4.340 -0.026 0.000 0.270 241 L C -0.445 176.313 176.870 -0.186 0.000 1.003 241 L CA -0.520 54.219 54.840 -0.167 0.000 0.862 241 L CB 1.014 43.092 42.059 0.033 0.000 1.221 241 L HN 0.650 nan 8.230 nan 0.000 0.430 242 N N 4.404 122.926 118.700 -0.297 0.000 2.442 242 N HA 0.235 4.960 4.740 -0.026 0.000 0.265 242 N C 0.428 175.986 175.510 0.081 0.000 1.138 242 N CA 0.141 53.124 53.050 -0.111 0.000 0.956 242 N CB 1.799 40.213 38.487 -0.122 0.000 1.067 242 N HN 0.624 nan 8.380 nan 0.000 0.474 243 I N -1.355 119.342 120.570 0.211 0.000 3.817 243 I HA 0.447 4.602 4.170 -0.026 0.000 0.325 243 I C 0.603 176.923 176.117 0.339 0.000 1.550 243 I CA -0.591 60.889 61.300 0.300 0.000 1.100 243 I CB 0.833 39.094 38.000 0.436 0.000 1.216 243 I HN 0.271 nan 8.210 nan 0.000 0.481 244 G N 1.048 109.978 108.800 0.217 0.000 3.251 244 G HA2 0.653 4.597 3.960 -0.026 0.000 0.248 244 G HA3 0.653 4.597 3.960 -0.026 0.000 0.248 244 G C -3.154 171.777 174.900 0.052 0.000 1.320 244 G CA -1.826 43.365 45.100 0.151 0.000 0.982 244 G HN -0.081 nan 8.290 nan 0.000 0.575 245 P HA 0.195 nan 4.420 nan 0.000 0.271 245 P C 0.346 177.720 177.300 0.124 0.000 1.220 245 P CA -0.376 62.659 63.100 -0.108 0.000 0.768 245 P CB 0.464 32.050 31.700 -0.189 0.000 0.848 246 F N 2.637 122.600 119.950 0.022 0.000 2.154 246 F HA -0.210 4.302 4.527 -0.025 0.000 0.301 246 F C 1.898 177.695 175.800 -0.005 0.000 1.087 246 F CA 1.886 59.891 58.000 0.009 0.000 1.274 246 F CB -1.935 37.105 39.000 0.066 0.000 1.009 246 F HN 0.457 nan 8.300 nan 0.000 0.485 247 N N 0.119 118.955 118.700 0.228 0.000 2.494 247 N HA -0.081 4.644 4.740 -0.026 0.000 0.182 247 N C 1.315 176.870 175.510 0.075 0.000 1.076 247 N CA 0.535 53.667 53.050 0.137 0.000 0.908 247 N CB -0.474 38.095 38.487 0.136 0.000 0.967 247 N HN 0.294 nan 8.380 nan 0.000 0.449 248 L N -0.086 121.174 121.223 0.061 0.000 2.509 248 L HA 0.212 4.537 4.340 -0.026 0.000 0.222 248 L C 1.617 178.481 176.870 -0.011 0.000 1.123 248 L CA 0.266 55.114 54.840 0.013 0.000 0.856 248 L CB -0.056 41.995 42.059 -0.014 0.000 0.985 248 L HN 0.266 nan 8.230 nan 0.000 0.456 249 I N -1.270 119.298 120.570 -0.005 0.000 2.731 249 I HA 0.010 4.165 4.170 -0.026 0.000 0.260 249 I C 0.786 176.864 176.117 -0.066 0.000 1.138 249 I CA 0.657 61.923 61.300 -0.056 0.000 1.461 249 I CB 0.195 38.135 38.000 -0.099 0.000 1.128 249 I HN 0.108 nan 8.210 nan 0.000 0.438 261 C N 0.862 120.158 119.300 -0.008 0.000 2.413 261 C HA 0.030 4.474 4.460 -0.026 0.000 0.276 261 C C 2.737 177.746 174.990 0.032 0.000 1.236 261 C CA 1.236 60.238 59.018 -0.027 0.000 1.735 261 C CB -0.978 26.717 27.740 -0.075 0.000 2.031 261 C HN 0.508 nan 8.230 nan 0.000 0.474 262 L N 0.177 121.405 121.223 0.009 0.000 2.141 262 L HA -0.183 4.141 4.340 -0.026 0.000 0.209 262 L C 2.656 179.547 176.870 0.035 0.000 1.094 262 L CA 1.437 56.279 54.840 0.004 0.000 0.763 262 L CB -0.808 41.278 42.059 0.045 0.000 0.908 262 L HN 0.384 nan 8.230 nan 0.000 0.437 263 Q N -1.028 118.813 119.800 0.069 0.000 2.079 263 Q HA -0.224 4.101 4.340 -0.026 0.000 0.200 263 Q C 1.872 177.926 176.000 0.089 0.000 0.974 263 Q CA 1.846 57.693 55.803 0.073 0.000 0.840 263 Q CB -0.458 28.321 28.738 0.069 0.000 0.898 263 Q HN 0.499 nan 8.270 nan 0.000 0.430 264 W N 0.180 121.431 121.300 -0.082 0.000 2.355 264 W HA -0.178 4.464 4.660 -0.029 0.000 0.309 264 W C 1.337 177.776 176.519 -0.134 0.000 1.206 264 W CA 0.870 58.157 57.345 -0.096 0.000 1.284 264 W CB -0.097 29.302 29.460 -0.102 0.000 1.145 264 W HN 0.127 nan 8.180 nan 0.000 0.502 265 L N 1.493 122.763 121.223 0.078 0.000 2.131 265 L HA -0.184 4.141 4.340 -0.026 0.000 0.210 265 L C 2.423 179.134 176.870 -0.266 0.000 1.092 265 L CA 1.961 56.648 54.840 -0.253 0.000 0.759 265 L CB -1.654 39.968 42.059 -0.727 0.000 0.903 265 L HN 0.087 nan 8.230 nan 0.000 0.435 266 K N -0.336 120.015 120.400 -0.081 0.000 2.127 266 K HA -0.217 4.087 4.320 -0.026 0.000 0.208 266 K C 1.360 177.946 176.600 -0.023 0.000 1.047 266 K CA 1.551 57.882 56.287 0.074 0.000 0.927 266 K CB 0.157 32.689 32.500 0.053 0.000 0.716 266 K HN 0.242 nan 8.250 nan 0.000 0.450 267 E N 0.367 120.478 120.200 -0.149 0.000 2.489 267 E HA 0.019 4.354 4.350 -0.026 0.000 0.193 267 E C -0.031 176.432 176.600 -0.229 0.000 1.057 267 E CA 0.289 56.574 56.400 -0.191 0.000 0.866 267 E CB 0.313 29.860 29.700 -0.254 0.000 0.916 267 E HN 0.119 nan 8.360 nan 0.000 0.500 268 R N 0.911 121.274 120.500 -0.228 0.000 2.536 268 R HA 0.223 4.547 4.340 -0.026 0.000 0.279 268 R C 0.263 176.507 176.300 -0.094 0.000 1.001 268 R CA -0.609 55.361 56.100 -0.218 0.000 1.027 268 R CB 0.636 30.771 30.300 -0.274 0.000 1.096 268 R HN -0.277 nan 8.270 nan 0.000 0.502 269 K N 2.159 122.511 120.400 -0.079 0.000 2.319 269 K HA 0.189 4.494 4.320 -0.026 0.000 0.265 269 K C -2.257 174.337 176.600 -0.011 0.000 1.000 269 K CA -2.071 54.192 56.287 -0.041 0.000 0.943 269 K CB -0.073 32.403 32.500 -0.040 0.000 0.950 269 K HN 0.379 nan 8.250 nan 0.000 0.485 270 P HA -0.004 nan 4.420 nan 0.000 0.265 270 P C -0.527 176.782 177.300 0.014 0.000 1.193 270 P CA 0.608 63.714 63.100 0.010 0.000 0.765 270 P CB 0.214 31.912 31.700 -0.003 0.000 0.823 271 T N 0.019 114.590 114.554 0.029 0.000 4.146 271 T HA -0.195 4.140 4.350 -0.026 0.000 0.336 271 T C 0.807 175.523 174.700 0.027 0.000 0.762 271 T CA 1.396 63.514 62.100 0.030 0.000 1.914 271 T CB -2.571 66.310 68.868 0.021 0.000 1.897 271 T HN 0.639 nan 8.240 nan 0.000 0.862 272 S N -2.421 113.294 115.700 0.025 0.000 2.520 272 S HA 0.444 4.898 4.470 -0.026 0.000 0.219 272 S C 0.544 175.160 174.600 0.027 0.000 1.028 272 S CA -0.157 58.051 58.200 0.014 0.000 0.921 272 S CB 0.679 63.875 63.200 -0.006 0.000 0.844 272 S HN 0.439 nan 8.310 nan 0.000 0.495 273 V N 2.685 122.633 119.914 0.056 0.000 2.481 273 V HA 0.493 4.598 4.120 -0.026 0.000 0.286 273 V C -0.253 175.894 176.094 0.087 0.000 1.042 273 V CA -0.744 61.618 62.300 0.103 0.000 0.928 273 V CB 1.625 33.545 31.823 0.162 0.000 0.986 273 V HN 0.284 nan 8.190 nan 0.000 0.462 274 V N 5.198 125.151 119.914 0.064 0.000 2.383 274 V HA 0.287 4.392 4.120 -0.026 0.000 0.275 274 V C -0.607 175.572 176.094 0.141 0.000 1.036 274 V CA -0.577 61.729 62.300 0.011 0.000 0.889 274 V CB 1.049 32.696 31.823 -0.293 0.000 0.985 274 V HN 0.756 nan 8.190 nan 0.000 0.459 275 Y N 6.408 126.731 120.300 0.039 0.000 2.330 275 Y HA 0.723 5.257 4.550 -0.027 0.000 0.336 275 Y C -0.485 175.473 175.900 0.098 0.000 1.036 275 Y CA -1.038 57.077 58.100 0.024 0.000 1.125 275 Y CB 1.279 39.670 38.460 -0.115 0.000 1.194 275 Y HN 0.548 nan 8.280 nan 0.000 0.469 276 I N 5.225 125.389 120.570 -0.676 0.000 2.436 276 I HA 0.515 4.670 4.170 -0.026 0.000 0.289 276 I C -0.562 175.084 176.117 -0.786 0.000 1.010 276 I CA -0.245 60.694 61.300 -0.601 0.000 1.098 276 I CB 1.857 39.486 38.000 -0.618 0.000 1.266 276 I HN 0.571 nan 8.210 nan 0.000 0.434 277 S N 4.523 119.817 115.700 -0.675 0.000 2.537 277 S HA 0.621 5.075 4.470 -0.026 0.000 0.271 277 S C -0.995 173.143 174.600 -0.770 0.000 1.148 277 S CA -0.454 57.436 58.200 -0.516 0.000 0.868 277 S CB 0.771 63.856 63.200 -0.191 0.000 1.115 277 S HN 0.363 nan 8.310 nan 0.000 0.461 278 F N 2.753 122.704 119.950 0.002 0.000 2.855 278 F HA 0.552 5.060 4.527 -0.032 0.000 0.317 278 F C 1.410 176.748 175.800 -0.770 0.000 1.169 278 F CA 0.264 58.069 58.000 -0.325 0.000 1.299 278 F CB 0.532 39.411 39.000 -0.201 0.000 0.962 278 F HN 1.025 nan 8.300 nan 0.000 0.506 279 G N 1.230 109.840 108.800 -0.316 0.000 2.553 279 G HA2 -0.334 3.611 3.960 -0.026 0.000 0.242 279 G HA3 -0.334 3.611 3.960 -0.026 0.000 0.242 279 G C 0.983 175.949 174.900 0.110 0.000 1.277 279 G CA 0.224 45.279 45.100 -0.074 0.000 0.910 279 G HN 0.420 nan 8.290 nan 0.000 0.576 280 T N -2.122 112.570 114.554 0.230 0.000 3.057 280 T HA 0.340 4.674 4.350 -0.026 0.000 0.254 280 T C 1.811 176.647 174.700 0.226 0.000 1.094 280 T CA 2.360 64.641 62.100 0.302 0.000 1.088 280 T CB 0.183 69.250 68.868 0.332 0.000 0.934 280 T HN 2.047 nan 8.240 nan 0.000 0.497 281 V N -2.631 117.400 119.914 0.195 0.000 3.372 281 V HA 0.456 4.560 4.120 -0.026 0.000 0.304 281 V C -0.224 175.958 176.094 0.147 0.000 1.530 281 V CA -0.510 61.895 62.300 0.175 0.000 1.080 281 V CB -0.027 31.924 31.823 0.213 0.000 0.929 281 V HN 0.263 nan 8.190 nan 0.000 0.455 282 T N 1.347 115.943 114.554 0.070 0.000 2.861 282 T HA 0.692 5.027 4.350 -0.026 0.000 0.287 282 T C -0.385 174.225 174.700 -0.151 0.000 1.003 282 T CA -0.151 61.887 62.100 -0.102 0.000 0.977 282 T CB 2.107 70.782 68.868 -0.321 0.000 0.996 282 T HN 0.341 nan 8.240 nan 0.000 0.448 283 T N 4.202 118.623 114.554 -0.223 0.000 2.893 283 T HA 0.604 4.938 4.350 -0.026 0.000 0.293 283 T C -2.542 171.983 174.700 -0.292 0.000 1.027 283 T CA -1.270 60.747 62.100 -0.138 0.000 0.988 283 T CB 1.760 70.645 68.868 0.029 0.000 1.043 283 T HN 0.291 nan 8.240 nan 0.000 0.461 284 P HA 0.311 nan 4.420 nan 0.000 0.272 284 P C -2.510 174.778 177.300 -0.019 0.000 1.240 284 P CA -1.345 61.708 63.100 -0.079 0.000 0.791 284 P CB -0.411 31.244 31.700 -0.076 0.000 0.978 285 P HA 0.120 nan 4.420 nan 0.000 0.272 285 P C -2.062 175.173 177.300 -0.109 0.000 1.230 285 P CA -1.449 61.613 63.100 -0.064 0.000 0.788 285 P CB -0.482 31.196 31.700 -0.036 0.000 0.949 286 P HA -0.235 nan 4.420 nan 0.000 0.216 286 P C 1.464 178.726 177.300 -0.064 0.000 1.154 286 P CA 2.431 65.363 63.100 -0.281 0.000 0.865 286 P CB -0.481 30.974 31.700 -0.408 0.000 0.789 287 A N -0.401 122.393 122.820 -0.044 0.000 1.972 287 A HA -0.221 4.083 4.320 -0.026 0.000 0.219 287 A C 2.105 179.708 177.584 0.032 0.000 1.169 287 A CA 1.575 53.610 52.037 -0.003 0.000 0.635 287 A CB -0.992 18.001 19.000 -0.012 0.000 0.810 287 A HN 0.222 nan 8.150 nan 0.000 0.446 288 E N -0.531 119.699 120.200 0.050 0.000 2.158 288 E HA -0.044 4.290 4.350 -0.026 0.000 0.191 288 E C 1.904 178.646 176.600 0.236 0.000 0.982 288 E CA 0.785 57.278 56.400 0.155 0.000 0.823 288 E CB -0.123 29.630 29.700 0.088 0.000 0.766 288 E HN 0.386 nan 8.360 nan 0.000 0.468 289 V N 1.126 121.158 119.914 0.196 0.000 2.332 289 V HA -0.249 3.856 4.120 -0.026 0.000 0.248 289 V C 2.325 178.517 176.094 0.164 0.000 1.055 289 V CA 1.353 63.823 62.300 0.284 0.000 1.038 289 V CB -0.341 31.627 31.823 0.242 0.000 0.651 289 V HN 0.131 nan 8.190 nan 0.000 0.450 290 V N 0.116 120.077 119.914 0.077 0.000 2.295 290 V HA -0.252 3.853 4.120 -0.026 0.000 0.246 290 V C 2.699 178.782 176.094 -0.019 0.000 1.049 290 V CA 2.037 64.347 62.300 0.017 0.000 1.024 290 V CB -1.142 30.696 31.823 0.025 0.000 0.648 290 V HN 0.564 nan 8.190 nan 0.000 0.447 291 A N -0.106 122.715 122.820 0.002 0.000 1.883 291 A HA -0.233 4.072 4.320 -0.026 0.000 0.217 291 A C 2.184 179.690 177.584 -0.130 0.000 1.186 291 A CA 2.255 54.273 52.037 -0.032 0.000 0.624 291 A CB -0.696 18.317 19.000 0.021 0.000 0.822 291 A HN 0.447 nan 8.150 nan 0.000 0.444 292 L N 0.980 122.076 121.223 -0.212 0.000 2.012 292 L HA -0.183 4.141 4.340 -0.026 0.000 0.210 292 L C 2.803 179.445 176.870 -0.381 0.000 1.073 292 L CA 2.982 57.552 54.840 -0.450 0.000 0.748 292 L CB -0.826 40.787 42.059 -0.743 0.000 0.891 292 L HN 0.547 nan 8.230 nan 0.000 0.431 293 S N -1.397 114.107 115.700 -0.327 0.000 2.382 293 S HA -0.229 4.226 4.470 -0.026 0.000 0.228 293 S C 1.810 176.362 174.600 -0.080 0.000 1.027 293 S CA 1.379 59.273 58.200 -0.509 0.000 0.991 293 S CB -0.741 61.871 63.200 -0.979 0.000 0.823 293 S HN 0.663 nan 8.310 nan 0.000 0.469 294 E N 1.579 121.756 120.200 -0.038 0.000 2.072 294 E HA 0.033 4.367 4.350 -0.026 0.000 0.191 294 E C 2.479 179.124 176.600 0.075 0.000 0.985 294 E CA 0.917 57.351 56.400 0.057 0.000 0.801 294 E CB -0.400 29.315 29.700 0.025 0.000 0.750 294 E HN 0.717 nan 8.360 nan 0.000 0.452 295 A N 1.229 124.058 122.820 0.015 0.000 1.898 295 A HA -0.147 4.158 4.320 -0.026 0.000 0.216 295 A C 2.189 179.905 177.584 0.220 0.000 1.181 295 A CA 0.979 53.050 52.037 0.057 0.000 0.620 295 A CB -0.617 18.329 19.000 -0.090 0.000 0.819 295 A HN 0.113 nan 8.150 nan 0.000 0.442 296 L N -0.807 120.520 121.223 0.173 0.000 2.017 296 L HA -0.222 4.102 4.340 -0.026 0.000 0.208 296 L C 2.705 179.791 176.870 0.361 0.000 1.073 296 L CA 1.939 56.884 54.840 0.176 0.000 0.745 296 L CB -0.580 41.378 42.059 -0.168 0.000 0.894 296 L HN 0.602 nan 8.230 nan 0.000 0.432 297 E N 0.413 120.850 120.200 0.395 0.000 2.038 297 E HA -0.275 4.060 4.350 -0.026 0.000 0.195 297 E C 2.199 178.964 176.600 0.276 0.000 1.000 297 E CA 1.444 58.089 56.400 0.409 0.000 0.803 297 E CB -0.035 29.889 29.700 0.374 0.000 0.750 297 E HN 0.452 nan 8.360 nan 0.000 0.448 298 A N 0.726 123.663 122.820 0.196 0.000 1.930 298 A HA -0.170 4.134 4.320 -0.026 0.000 0.217 298 A C 2.312 179.960 177.584 0.107 0.000 1.175 298 A CA 2.049 54.163 52.037 0.128 0.000 0.627 298 A CB -0.607 18.450 19.000 0.095 0.000 0.815 298 A HN 0.451 nan 8.150 nan 0.000 0.443 299 S N -1.373 114.411 115.700 0.140 0.000 2.461 299 S HA -0.013 4.441 4.470 -0.026 0.000 0.228 299 S C 0.941 175.553 174.600 0.021 0.000 1.005 299 S CA 0.561 58.829 58.200 0.113 0.000 0.942 299 S CB -0.329 63.005 63.200 0.224 0.000 0.776 299 S HN 0.548 nan 8.310 nan 0.000 0.514 300 R N -0.069 120.429 120.500 -0.003 0.000 3.422 300 R HA -0.107 4.218 4.340 -0.026 0.000 0.267 300 R C -0.478 175.618 176.300 -0.341 0.000 1.074 300 R CA 0.525 56.393 56.100 -0.387 0.000 0.718 300 R CB -2.561 27.460 30.300 -0.466 0.000 1.157 300 R HN 0.430 nan 8.270 nan 0.000 0.440 301 V N 1.459 121.369 119.914 -0.006 0.000 2.498 301 V HA 0.302 4.406 4.120 -0.026 0.000 0.279 301 V C -1.720 174.543 176.094 0.281 0.000 1.048 301 V CA -2.068 60.248 62.300 0.027 0.000 0.967 301 V CB 1.216 32.974 31.823 -0.110 0.000 0.988 301 V HN 0.028 nan 8.190 nan 0.000 0.473 302 P HA 0.255 nan 4.420 nan 0.000 0.266 302 P C -1.192 176.344 177.300 0.393 0.000 1.195 302 P CA 0.391 63.707 63.100 0.361 0.000 0.768 302 P CB 0.131 31.947 31.700 0.193 0.000 0.838 303 F N 0.544 120.688 119.950 0.324 0.000 2.654 303 F HA 0.706 5.219 4.527 -0.024 0.000 0.308 303 F C -1.599 174.221 175.800 0.034 0.000 1.108 303 F CA -1.356 56.726 58.000 0.138 0.000 0.957 303 F CB 1.039 40.080 39.000 0.067 0.000 1.309 303 F HN 0.023 nan 8.300 nan 0.000 0.446 304 I N 2.918 123.629 120.570 0.234 0.000 2.410 304 I HA 0.226 4.381 4.170 -0.026 0.000 0.286 304 I C -1.730 174.584 176.117 0.329 0.000 1.009 304 I CA -0.435 60.948 61.300 0.139 0.000 1.111 304 I CB 1.596 39.649 38.000 0.089 0.000 1.262 304 I HN 0.678 nan 8.210 nan 0.000 0.443 305 W N 7.064 128.460 121.300 0.161 0.000 2.318 305 W HA 0.416 5.068 4.660 -0.013 0.000 0.315 305 W C -0.256 176.264 176.519 0.002 0.000 1.033 305 W CA -1.409 55.967 57.345 0.051 0.000 1.275 305 W CB 1.716 31.278 29.460 0.170 0.000 1.250 305 W HN 0.347 nan 8.180 nan 0.000 0.421 306 S N 6.781 122.628 115.700 0.245 0.000 2.422 306 S HA 0.493 4.948 4.470 -0.026 0.000 0.283 306 S C -1.048 173.640 174.600 0.147 0.000 1.163 306 S CA -0.293 57.980 58.200 0.122 0.000 1.054 306 S CB -0.264 62.956 63.200 0.032 0.000 0.967 306 S HN 0.440 nan 8.310 nan 0.000 0.499 307 L N 6.589 127.792 121.223 -0.033 0.000 2.438 307 L HA 0.562 4.886 4.340 -0.026 0.000 0.270 307 L C -0.365 176.483 176.870 -0.037 0.000 0.972 307 L CA -0.515 54.246 54.840 -0.131 0.000 0.831 307 L CB 1.654 43.313 42.059 -0.665 0.000 1.273 307 L HN 0.540 nan 8.230 nan 0.000 0.405 308 R N 3.024 123.552 120.500 0.046 0.000 2.523 308 R HA -0.041 4.284 4.340 -0.026 0.000 0.281 308 R C 0.399 176.692 176.300 -0.011 0.000 0.969 308 R CA 0.035 56.164 56.100 0.048 0.000 1.093 308 R CB 0.215 30.555 30.300 0.066 0.000 0.917 308 R HN 0.671 nan 8.270 nan 0.000 0.408 309 D N 2.900 123.295 120.400 -0.007 0.000 2.133 309 D HA -0.167 4.458 4.640 -0.026 0.000 0.195 309 D C 1.431 177.703 176.300 -0.046 0.000 0.997 309 D CA 1.388 55.367 54.000 -0.034 0.000 0.840 309 D CB 0.263 41.051 40.800 -0.020 0.000 0.947 309 D HN 0.336 nan 8.370 nan 0.000 0.452 310 K N 0.499 120.881 120.400 -0.030 0.000 2.152 310 K HA -0.070 4.235 4.320 -0.026 0.000 0.206 310 K C 1.842 178.399 176.600 -0.071 0.000 1.048 310 K CA 0.855 57.117 56.287 -0.043 0.000 0.933 310 K CB -0.274 32.216 32.500 -0.018 0.000 0.721 310 K HN 0.103 nan 8.250 nan 0.000 0.447 311 A N 0.980 123.779 122.820 -0.034 0.000 2.206 311 A HA -0.047 4.258 4.320 -0.026 0.000 0.211 311 A C 1.939 179.471 177.584 -0.086 0.000 1.158 311 A CA 0.388 52.431 52.037 0.010 0.000 0.761 311 A CB -0.234 18.825 19.000 0.099 0.000 0.801 311 A HN 0.223 nan 8.150 nan 0.000 0.473 312 R N -0.128 120.295 120.500 -0.128 0.000 2.193 312 R HA -0.122 4.203 4.340 -0.026 0.000 0.229 312 R C 1.945 178.163 176.300 -0.137 0.000 1.110 312 R CA 1.396 57.414 56.100 -0.136 0.000 0.988 312 R CB -0.705 29.530 30.300 -0.107 0.000 0.871 312 R HN 0.588 nan 8.270 nan 0.000 0.458 313 V N -1.407 118.372 119.914 -0.225 0.000 2.867 313 V HA -0.194 3.911 4.120 -0.026 0.000 0.260 313 V C 1.411 177.354 176.094 -0.252 0.000 1.099 313 V CA 1.646 63.790 62.300 -0.259 0.000 1.122 313 V CB -0.575 31.048 31.823 -0.334 0.000 0.708 313 V HN 0.313 nan 8.190 nan 0.000 0.490 314 H N 0.053 119.110 119.070 -0.022 0.000 2.553 314 H HA 0.432 4.973 4.556 -0.025 0.000 0.265 314 H C 0.889 176.205 175.328 -0.020 0.000 0.964 314 H CA -0.189 55.853 56.048 -0.010 0.000 1.156 314 H CB 0.071 29.834 29.762 0.002 0.000 1.411 314 H HN 0.416 nan 8.280 nan 0.000 0.558 315 L N 2.948 124.191 121.223 0.034 0.000 2.416 315 L HA 0.145 4.469 4.340 -0.026 0.000 0.272 315 L C -1.813 175.087 176.870 0.051 0.000 1.161 315 L CA -1.784 53.053 54.840 -0.005 0.000 0.845 315 L CB 0.188 42.245 42.059 -0.002 0.000 1.119 315 L HN -0.106 nan 8.230 nan 0.000 0.464 316 P HA 0.011 nan 4.420 nan 0.000 0.268 316 P C -0.457 176.925 177.300 0.137 0.000 1.205 316 P CA -0.367 62.790 63.100 0.094 0.000 0.771 316 P CB 0.449 32.207 31.700 0.097 0.000 0.858 317 E N 1.432 121.693 120.200 0.100 0.000 2.529 317 E HA 0.111 4.446 4.350 -0.026 0.000 0.259 317 E C 1.188 177.859 176.600 0.119 0.000 0.966 317 E CA 1.165 57.620 56.400 0.093 0.000 0.937 317 E CB -0.421 29.318 29.700 0.065 0.000 0.923 317 E HN 0.756 nan 8.360 nan 0.000 0.468 318 G N 4.020 112.888 108.800 0.113 0.000 2.241 318 G HA2 -0.377 3.568 3.960 -0.026 0.000 0.244 318 G HA3 -0.377 3.568 3.960 -0.026 0.000 0.244 318 G C 0.511 175.493 174.900 0.137 0.000 0.998 318 G CA 0.310 45.472 45.100 0.104 0.000 0.621 318 G HN 0.655 nan 8.290 nan 0.000 0.519 319 F N 1.574 121.560 119.950 0.060 0.000 2.069 319 F HA 0.103 4.614 4.527 -0.027 0.000 0.298 319 F C 2.518 178.363 175.800 0.075 0.000 1.113 319 F CA 2.420 60.469 58.000 0.082 0.000 1.214 319 F CB -0.421 38.638 39.000 0.100 0.000 0.978 319 F HN 0.210 nan 8.300 nan 0.000 0.474 320 L N -0.024 121.164 121.223 -0.058 0.000 2.042 320 L HA -0.223 4.102 4.340 -0.026 0.000 0.210 320 L C 2.369 179.117 176.870 -0.204 0.000 1.076 320 L CA 1.759 56.483 54.840 -0.194 0.000 0.749 320 L CB -0.789 41.258 42.059 -0.019 0.000 0.893 320 L HN 0.127 nan 8.230 nan 0.000 0.432 321 E N 0.159 120.299 120.200 -0.100 0.000 2.072 321 E HA -0.180 4.154 4.350 -0.026 0.000 0.191 321 E C 2.119 178.664 176.600 -0.092 0.000 0.985 321 E CA 1.081 57.437 56.400 -0.073 0.000 0.801 321 E CB -0.022 29.666 29.700 -0.019 0.000 0.750 321 E HN 0.315 nan 8.360 nan 0.000 0.452 322 K N -0.265 120.080 120.400 -0.092 0.000 2.366 322 K HA -0.011 4.294 4.320 -0.026 0.000 0.198 322 K C 1.606 178.121 176.600 -0.140 0.000 1.044 322 K CA 1.464 57.724 56.287 -0.043 0.000 0.973 322 K CB 0.186 32.712 32.500 0.043 0.000 0.767 322 K HN 0.244 nan 8.250 nan 0.000 0.475 323 T N -2.584 111.728 114.554 -0.403 0.000 3.069 323 T HA 0.114 4.449 4.350 -0.026 0.000 0.252 323 T C 1.564 175.823 174.700 -0.735 0.000 1.053 323 T CA -0.330 61.279 62.100 -0.817 0.000 0.964 323 T CB 0.262 68.685 68.868 -0.740 0.000 1.005 323 T HN 0.039 nan 8.240 nan 0.000 0.532 324 R N 1.317 121.585 120.500 -0.386 0.000 2.117 324 R HA -0.021 4.303 4.340 -0.026 0.000 0.243 324 R C 2.452 178.659 176.300 -0.155 0.000 1.143 324 R CA 1.741 57.696 56.100 -0.241 0.000 0.968 324 R CB -0.825 29.395 30.300 -0.134 0.000 0.863 324 R HN 0.503 nan 8.270 nan 0.000 0.444 325 G N -1.046 107.694 108.800 -0.100 0.000 2.744 325 G HA2 -0.182 3.762 3.960 -0.026 0.000 0.211 325 G HA3 -0.182 3.762 3.960 -0.026 0.000 0.211 325 G C 0.656 175.655 174.900 0.165 0.000 1.143 325 G CA 0.733 45.869 45.100 0.059 0.000 0.788 325 G HN 0.649 nan 8.290 nan 0.000 0.534 326 Y N -2.938 117.380 120.300 0.030 0.000 2.729 326 Y HA 0.526 5.060 4.550 -0.026 0.000 0.266 326 Y C 0.527 176.438 175.900 0.019 0.000 1.064 326 Y CA -0.785 57.357 58.100 0.070 0.000 1.251 326 Y CB 0.182 38.666 38.460 0.040 0.000 1.379 326 Y HN 0.134 nan 8.280 nan 0.000 0.569 327 G N 1.223 109.678 108.800 -0.574 0.000 2.690 327 G HA2 0.641 4.586 3.960 -0.026 0.000 0.293 327 G HA3 0.641 4.586 3.960 -0.026 0.000 0.293 327 G C -1.748 172.472 174.900 -1.132 0.000 1.399 327 G CA -1.158 43.044 45.100 -1.496 0.000 0.890 327 G HN 0.057 nan 8.290 nan 0.000 0.485 328 M N 0.771 119.742 119.600 -1.048 0.000 2.457 328 M HA 0.464 4.929 4.480 -0.026 0.000 0.300 328 M C -1.013 175.212 176.300 -0.125 0.000 1.141 328 M CA -0.924 54.038 55.300 -0.562 0.000 0.901 328 M CB 2.787 34.928 32.600 -0.766 0.000 1.687 328 M HN 0.207 nan 8.290 nan 0.000 0.449 329 V N 3.711 123.618 119.914 -0.011 0.000 2.378 329 V HA 0.624 4.728 4.120 -0.026 0.000 0.288 329 V C -0.433 175.635 176.094 -0.044 0.000 1.016 329 V CA -0.777 61.557 62.300 0.056 0.000 0.840 329 V CB 1.424 33.272 31.823 0.043 0.000 0.994 329 V HN 0.692 nan 8.190 nan 0.000 0.431 330 V N 3.450 123.348 119.914 -0.027 0.000 2.823 330 V HA 0.662 4.766 4.120 -0.026 0.000 0.312 330 V C -2.005 174.110 176.094 0.034 0.000 1.072 330 V CA -1.904 60.391 62.300 -0.008 0.000 0.937 330 V CB 2.293 34.113 31.823 -0.006 0.000 1.013 330 V HN 0.513 nan 8.190 nan 0.000 0.430 331 P HA 0.042 nan 4.420 nan 0.000 0.229 331 P C -0.003 177.477 177.300 0.302 0.000 1.160 331 P CA 1.016 64.194 63.100 0.130 0.000 0.777 331 P CB 0.413 32.171 31.700 0.097 0.000 0.814 332 W N -0.028 121.286 121.300 0.024 0.000 3.624 332 W HA 0.555 5.201 4.660 -0.023 0.000 0.312 332 W C -1.935 174.615 176.519 0.051 0.000 1.203 332 W CA -0.740 56.633 57.345 0.048 0.000 1.225 332 W CB 2.350 31.829 29.460 0.033 0.000 1.321 332 W HN -0.243 nan 8.180 nan 0.000 0.506 333 A N 6.103 128.700 122.820 -0.372 0.000 2.330 333 A HA 0.759 5.064 4.320 -0.026 0.000 0.329 333 A C -2.435 174.896 177.584 -0.423 0.000 1.135 333 A CA -1.329 50.558 52.037 -0.250 0.000 0.817 333 A CB 1.482 20.438 19.000 -0.072 0.000 1.269 333 A HN 0.258 nan 8.150 nan 0.000 0.469 334 P HA 0.068 nan 4.420 nan 0.000 0.244 334 P C 0.125 177.259 177.300 -0.276 0.000 1.769 334 P CA 0.130 63.127 63.100 -0.171 0.000 1.102 334 P CB 0.673 32.335 31.700 -0.063 0.000 1.937 335 Q N 3.138 122.715 119.800 -0.371 0.000 2.050 335 Q HA -0.185 4.140 4.340 -0.026 0.000 0.202 335 Q C 1.895 177.643 176.000 -0.420 0.000 0.980 335 Q CA 1.968 57.471 55.803 -0.500 0.000 0.840 335 Q CB -0.352 28.155 28.738 -0.386 0.000 0.898 335 Q HN 0.380 nan 8.270 nan 0.000 0.424 336 A N 0.687 123.368 122.820 -0.233 0.000 1.933 336 A HA -0.221 4.084 4.320 -0.026 0.000 0.218 336 A C 1.771 179.259 177.584 -0.161 0.000 1.175 336 A CA 1.685 53.625 52.037 -0.162 0.000 0.628 336 A CB -0.502 18.462 19.000 -0.061 0.000 0.814 336 A HN 0.570 nan 8.150 nan 0.000 0.444 337 E N -0.509 119.604 120.200 -0.144 0.000 2.106 337 E HA -0.089 4.245 4.350 -0.026 0.000 0.192 337 E C 1.937 178.464 176.600 -0.121 0.000 0.984 337 E CA 1.081 57.421 56.400 -0.099 0.000 0.806 337 E CB -0.200 29.464 29.700 -0.059 0.000 0.750 337 E HN 0.384 nan 8.360 nan 0.000 0.458 338 V N 1.322 121.087 119.914 -0.248 0.000 2.343 338 V HA -0.244 3.860 4.120 -0.026 0.000 0.247 338 V C 2.219 178.143 176.094 -0.283 0.000 1.051 338 V CA 1.457 63.572 62.300 -0.308 0.000 1.036 338 V CB -0.343 31.122 31.823 -0.596 0.000 0.654 338 V HN 0.283 nan 8.190 nan 0.000 0.451 339 L N 0.025 121.019 121.223 -0.382 0.000 2.201 339 L HA -0.082 4.243 4.340 -0.026 0.000 0.212 339 L C 2.422 179.214 176.870 -0.130 0.000 1.105 339 L CA 1.255 55.919 54.840 -0.294 0.000 0.775 339 L CB -0.553 41.295 42.059 -0.352 0.000 0.913 339 L HN 0.359 nan 8.230 nan 0.000 0.440 340 A N -2.220 120.541 122.820 -0.099 0.000 2.208 340 A HA -0.077 4.228 4.320 -0.026 0.000 0.209 340 A C 0.958 178.523 177.584 -0.032 0.000 1.161 340 A CA 0.077 52.081 52.037 -0.056 0.000 0.782 340 A CB -0.527 18.440 19.000 -0.056 0.000 0.816 340 A HN 0.292 nan 8.150 nan 0.000 0.477 341 H N 1.211 120.227 119.070 -0.090 0.000 2.646 341 H HA 0.090 4.630 4.556 -0.027 0.000 0.325 341 H C 1.146 176.447 175.328 -0.045 0.000 1.075 341 H CA 0.413 56.425 56.048 -0.061 0.000 1.421 341 H CB 0.989 30.717 29.762 -0.058 0.000 1.461 341 H HN 0.530 nan 8.280 nan 0.000 0.525 342 E N 3.899 123.992 120.200 -0.178 0.000 2.209 342 E HA -0.173 4.161 4.350 -0.026 0.000 0.196 342 E C 1.477 178.138 176.600 0.102 0.000 0.993 342 E CA 1.158 57.529 56.400 -0.048 0.000 0.819 342 E CB -0.363 29.257 29.700 -0.134 0.000 0.745 342 E HN 0.572 nan 8.360 nan 0.000 0.477 343 A N 1.516 124.536 122.820 0.334 0.000 2.119 343 A HA 0.086 4.391 4.320 -0.026 0.000 0.217 343 A C 1.379 179.031 177.584 0.113 0.000 1.153 343 A CA 0.333 52.483 52.037 0.188 0.000 0.692 343 A CB -0.086 18.998 19.000 0.139 0.000 0.799 343 A HN 0.110 nan 8.150 nan 0.000 0.458 344 V N -0.037 119.949 119.914 0.120 0.000 2.488 344 V HA 0.432 4.536 4.120 -0.026 0.000 0.277 344 V C 1.455 177.587 176.094 0.064 0.000 1.046 344 V CA 0.593 62.939 62.300 0.077 0.000 0.986 344 V CB 1.142 32.989 31.823 0.039 0.000 0.989 344 V HN 0.365 nan 8.190 nan 0.000 0.475 345 G N 3.042 111.883 108.800 0.067 0.000 2.848 345 G HA2 0.602 4.546 3.960 -0.026 0.000 0.213 345 G HA3 0.602 4.546 3.960 -0.026 0.000 0.213 345 G C 0.235 175.183 174.900 0.081 0.000 1.101 345 G CA 0.723 45.860 45.100 0.061 0.000 0.778 345 G HN 1.014 nan 8.290 nan 0.000 0.536 346 A N -0.469 122.416 122.820 0.109 0.000 2.604 346 A HA 0.634 4.939 4.320 -0.026 0.000 0.295 346 A C -2.277 175.461 177.584 0.255 0.000 1.067 346 A CA -0.589 51.542 52.037 0.156 0.000 0.683 346 A CB 1.665 20.750 19.000 0.142 0.000 1.281 346 A HN 0.398 nan 8.150 nan 0.000 0.407 347 F N 2.488 122.481 119.950 0.073 0.000 2.500 347 F HA 0.556 5.069 4.527 -0.024 0.000 0.349 347 F C -0.822 174.998 175.800 0.034 0.000 1.127 347 F CA -1.541 56.508 58.000 0.082 0.000 0.998 347 F CB 1.416 40.481 39.000 0.108 0.000 1.237 347 F HN 0.315 nan 8.300 nan 0.000 0.439 348 V N 5.746 125.754 119.914 0.158 0.000 2.405 348 V HA 0.345 4.450 4.120 -0.026 0.000 0.264 348 V C 0.368 176.247 176.094 -0.359 0.000 1.048 348 V CA 0.159 62.429 62.300 -0.050 0.000 0.966 348 V CB 0.627 32.436 31.823 -0.023 0.000 1.015 348 V HN 0.850 nan 8.190 nan 0.000 0.477 349 T N 2.834 117.131 114.554 -0.429 0.000 2.906 349 T HA 0.375 4.710 4.350 -0.026 0.000 0.295 349 T C 0.743 175.509 174.700 0.110 0.000 1.061 349 T CA -0.564 61.198 62.100 -0.563 0.000 1.000 349 T CB 1.210 69.347 68.868 -1.218 0.000 1.103 349 T HN 0.864 nan 8.240 nan 0.000 0.486 350 H N 0.995 120.169 119.070 0.174 0.000 2.547 350 H HA 0.170 4.709 4.556 -0.027 0.000 0.266 350 H C 1.086 176.503 175.328 0.149 0.000 0.988 350 H CA 0.147 56.411 56.048 0.360 0.000 1.147 350 H CB -1.472 28.577 29.762 0.478 0.000 1.365 350 H HN 0.690 nan 8.280 nan 0.000 0.589 351 C N 0.435 119.658 119.300 -0.128 0.000 4.549 351 C HA -0.063 4.382 4.460 -0.026 0.000 0.290 351 C C 1.496 176.337 174.990 -0.248 0.000 1.328 351 C CA 0.128 59.039 59.018 -0.178 0.000 2.002 351 C CB -2.488 25.209 27.740 -0.072 0.000 1.238 351 C HN 0.988 nan 8.230 nan 0.000 0.780 352 G N -0.825 107.627 108.800 -0.580 0.000 2.491 352 G HA2 0.280 4.225 3.960 -0.026 0.000 0.242 352 G HA3 0.280 4.225 3.960 -0.026 0.000 0.242 352 G C 0.844 175.820 174.900 0.127 0.000 1.266 352 G CA 0.361 45.318 45.100 -0.237 0.000 0.844 352 G HN 0.667 nan 8.290 nan 0.000 0.571 353 W N 2.164 123.493 121.300 0.049 0.000 2.335 353 W HA -0.204 4.440 4.660 -0.027 0.000 0.311 353 W C 1.848 178.521 176.519 0.257 0.000 1.213 353 W CA 1.652 59.094 57.345 0.161 0.000 1.274 353 W CB 0.081 29.612 29.460 0.119 0.000 1.148 353 W HN 0.770 nan 8.180 nan 0.000 0.498 354 N N -0.129 118.742 118.700 0.285 0.000 2.142 354 N HA -0.160 4.564 4.740 -0.026 0.000 0.186 354 N C 1.900 177.515 175.510 0.175 0.000 1.023 354 N CA 2.158 55.336 53.050 0.213 0.000 0.852 354 N CB -0.815 37.818 38.487 0.243 0.000 0.998 354 N HN -0.140 nan 8.380 nan 0.000 0.424 355 S N 0.765 116.602 115.700 0.229 0.000 2.370 355 S HA -0.089 4.366 4.470 -0.026 0.000 0.226 355 S C 1.848 176.579 174.600 0.219 0.000 1.033 355 S CA 0.669 59.058 58.200 0.314 0.000 1.011 355 S CB -0.390 63.114 63.200 0.507 0.000 0.852 355 S HN 0.276 nan 8.310 nan 0.000 0.457 356 L N -0.230 120.981 121.223 -0.019 0.000 1.989 356 L HA -0.166 4.158 4.340 -0.026 0.000 0.211 356 L C 2.098 178.649 176.870 -0.531 0.000 1.071 356 L CA 1.676 56.322 54.840 -0.324 0.000 0.749 356 L CB -0.279 41.440 42.059 -0.567 0.000 0.890 356 L HN 0.437 nan 8.230 nan 0.000 0.431 357 W N 0.296 121.456 121.300 -0.233 0.000 2.374 357 W HA -0.151 4.498 4.660 -0.018 0.000 0.288 357 W C 2.468 178.943 176.519 -0.074 0.000 1.218 357 W CA 1.007 58.234 57.345 -0.197 0.000 1.245 357 W CB -0.195 29.084 29.460 -0.301 0.000 1.126 357 W HN 0.207 nan 8.180 nan 0.000 0.545 358 E N -0.474 119.776 120.200 0.082 0.000 2.106 358 E HA -0.176 4.159 4.350 -0.026 0.000 0.192 358 E C 2.201 178.795 176.600 -0.010 0.000 0.984 358 E CA 1.374 57.797 56.400 0.039 0.000 0.806 358 E CB -0.448 29.261 29.700 0.015 0.000 0.750 358 E HN 0.050 nan 8.360 nan 0.000 0.458 359 S N 0.074 115.781 115.700 0.012 0.000 2.383 359 S HA -0.103 4.351 4.470 -0.026 0.000 0.227 359 S C 2.076 176.658 174.600 -0.029 0.000 1.026 359 S CA 0.574 58.795 58.200 0.034 0.000 0.981 359 S CB -0.007 63.342 63.200 0.250 0.000 0.818 359 S HN 0.052 nan 8.310 nan 0.000 0.472 360 V N 2.070 121.920 119.914 -0.108 0.000 2.343 360 V HA -0.159 3.945 4.120 -0.026 0.000 0.247 360 V C 2.752 178.850 176.094 0.006 0.000 1.051 360 V CA 1.760 64.003 62.300 -0.094 0.000 1.036 360 V CB -1.241 30.469 31.823 -0.189 0.000 0.654 360 V HN 0.576 nan 8.190 nan 0.000 0.451 361 A N 0.452 123.294 122.820 0.038 0.000 1.933 361 A HA -0.097 4.208 4.320 -0.026 0.000 0.218 361 A C 2.303 179.886 177.584 -0.001 0.000 1.175 361 A CA 1.904 53.961 52.037 0.034 0.000 0.628 361 A CB -0.979 18.045 19.000 0.040 0.000 0.814 361 A HN 0.561 nan 8.150 nan 0.000 0.444 362 G N -1.934 106.855 108.800 -0.017 0.000 2.813 362 G HA2 0.341 4.285 3.960 -0.026 0.000 0.209 362 G HA3 0.341 4.285 3.960 -0.026 0.000 0.209 362 G C 1.170 176.060 174.900 -0.017 0.000 1.150 362 G CA 0.543 45.625 45.100 -0.030 0.000 0.785 362 G HN 1.650 nan 8.290 nan 0.000 0.535 363 G N -0.929 107.866 108.800 -0.009 0.000 2.198 363 G HA2 -0.205 3.740 3.960 -0.026 0.000 0.260 363 G HA3 -0.205 3.740 3.960 -0.026 0.000 0.260 363 G C 0.037 174.941 174.900 0.008 0.000 1.025 363 G CA 0.212 45.311 45.100 -0.003 0.000 0.769 363 G HN 0.747 nan 8.290 nan 0.000 0.507 364 V N 1.025 120.950 119.914 0.018 0.000 2.370 364 V HA 0.435 4.540 4.120 -0.026 0.000 0.279 364 V C -1.591 174.546 176.094 0.073 0.000 1.029 364 V CA -1.800 60.532 62.300 0.053 0.000 0.870 364 V CB 1.824 33.689 31.823 0.069 0.000 0.984 364 V HN 0.111 nan 8.190 nan 0.000 0.451 365 P HA 0.150 nan 4.420 nan 0.000 0.268 365 P C -0.782 176.568 177.300 0.083 0.000 1.205 365 P CA -0.221 62.911 63.100 0.054 0.000 0.771 365 P CB 0.411 32.140 31.700 0.048 0.000 0.858 366 L N 3.696 124.935 121.223 0.028 0.000 2.357 366 L HA 0.397 4.722 4.340 -0.026 0.000 0.273 366 L C 0.505 177.371 176.870 -0.006 0.000 1.080 366 L CA -0.150 54.680 54.840 -0.016 0.000 0.803 366 L CB 0.197 42.191 42.059 -0.108 0.000 1.174 366 L HN 0.350 nan 8.230 nan 0.000 0.443 367 I N 2.231 122.794 120.570 -0.011 0.000 2.359 367 I HA 0.248 4.402 4.170 -0.026 0.000 0.284 367 I C -0.423 175.700 176.117 0.010 0.000 1.018 367 I CA -0.256 61.057 61.300 0.022 0.000 1.173 367 I CB 1.306 39.355 38.000 0.082 0.000 1.326 367 I HN 0.497 nan 8.210 nan 0.000 0.462 368 C N 5.087 124.387 119.300 -0.001 0.000 2.347 368 C HA 0.527 4.971 4.460 -0.026 0.000 0.353 368 C C 0.777 175.771 174.990 0.006 0.000 1.273 368 C CA -0.440 58.569 59.018 -0.015 0.000 1.861 368 C CB 0.284 27.999 27.740 -0.042 0.000 2.420 368 C HN 0.676 nan 8.230 nan 0.000 0.542 369 R N 4.191 124.701 120.500 0.016 0.000 2.653 369 R HA 0.329 4.654 4.340 -0.026 0.000 0.269 369 R C -2.884 173.273 176.300 -0.238 0.000 1.603 369 R CA -1.991 54.010 56.100 -0.165 0.000 1.671 369 R CB 0.074 30.250 30.300 -0.207 0.000 1.300 369 R HN 0.466 nan 8.270 nan 0.000 0.668 370 P HA 0.126 nan 4.420 nan 0.000 0.271 370 P C -0.142 176.938 177.300 -0.366 0.000 1.218 370 P CA -0.012 63.013 63.100 -0.125 0.000 0.780 370 P CB 0.696 32.356 31.700 -0.066 0.000 0.901 371 F N 0.975 120.742 119.950 -0.304 0.000 2.479 371 F HA 0.237 4.752 4.527 -0.021 0.000 0.280 371 F C 0.885 176.470 175.800 -0.359 0.000 0.982 371 F CA 0.838 58.511 58.000 -0.546 0.000 1.276 371 F CB -0.008 38.289 39.000 -1.173 0.000 1.137 371 F HN 0.228 nan 8.300 nan 0.000 0.660 372 F N -2.300 117.852 119.950 0.337 0.000 2.985 372 F HA 0.724 5.238 4.527 -0.021 0.000 0.322 372 F C 0.619 176.574 175.800 0.258 0.000 1.187 372 F CA -1.612 56.548 58.000 0.267 0.000 0.910 372 F CB -0.085 39.071 39.000 0.259 0.000 1.411 372 F HN 0.234 nan 8.300 nan 0.000 0.492 373 G N 1.084 110.232 108.800 0.579 0.000 2.583 373 G HA2 -0.314 3.630 3.960 -0.026 0.000 0.292 373 G HA3 -0.314 3.630 3.960 -0.026 0.000 0.292 373 G C 0.372 175.468 174.900 0.327 0.000 1.203 373 G CA 0.759 46.128 45.100 0.449 0.000 0.987 373 G HN 1.457 nan 8.290 nan 0.000 0.554 374 D N 0.830 121.414 120.400 0.305 0.000 2.349 374 D HA 0.034 4.659 4.640 -0.026 0.000 0.224 374 D C 2.003 178.415 176.300 0.186 0.000 1.029 374 D CA 1.259 55.397 54.000 0.231 0.000 0.879 374 D CB -0.250 40.685 40.800 0.226 0.000 0.906 374 D HN 0.725 nan 8.370 nan 0.000 0.528 375 Q N 0.261 120.169 119.800 0.180 0.000 2.119 375 Q HA 0.015 4.340 4.340 -0.026 0.000 0.201 375 Q C 2.154 178.201 176.000 0.078 0.000 0.972 375 Q CA 0.892 56.757 55.803 0.103 0.000 0.847 375 Q CB 0.042 28.822 28.738 0.069 0.000 0.903 375 Q HN 0.266 nan 8.270 nan 0.000 0.433 376 R N 0.253 120.809 120.500 0.093 0.000 2.096 376 R HA -0.092 4.233 4.340 -0.026 0.000 0.235 376 R C 2.217 178.564 176.300 0.077 0.000 1.127 376 R CA 1.000 57.142 56.100 0.070 0.000 0.968 376 R CB -0.247 30.108 30.300 0.092 0.000 0.861 376 R HN 0.240 nan 8.270 nan 0.000 0.440 377 L N 0.698 121.981 121.223 0.101 0.000 2.056 377 L HA -0.179 4.145 4.340 -0.026 0.000 0.207 377 L C 1.828 178.769 176.870 0.117 0.000 1.078 377 L CA 1.047 55.945 54.840 0.097 0.000 0.749 377 L CB -0.479 41.638 42.059 0.096 0.000 0.901 377 L HN 0.178 nan 8.230 nan 0.000 0.433 378 N N 0.494 119.283 118.700 0.149 0.000 2.120 378 N HA -0.130 4.595 4.740 -0.026 0.000 0.188 378 N C 1.871 177.434 175.510 0.089 0.000 1.024 378 N CA 1.470 54.630 53.050 0.182 0.000 0.852 378 N CB -0.759 37.863 38.487 0.225 0.000 1.003 378 N HN 0.340 nan 8.380 nan 0.000 0.424 379 G N 1.067 109.896 108.800 0.048 0.000 2.446 379 G HA2 -0.322 3.623 3.960 -0.026 0.000 0.217 379 G HA3 -0.322 3.623 3.960 -0.026 0.000 0.217 379 G C 1.788 176.696 174.900 0.014 0.000 1.168 379 G CA 1.049 46.155 45.100 0.009 0.000 0.771 379 G HN 0.262 nan 8.290 nan 0.000 0.551 380 R N 0.101 120.620 120.500 0.031 0.000 2.083 380 R HA 0.019 4.343 4.340 -0.026 0.000 0.237 380 R C 2.531 178.853 176.300 0.036 0.000 1.137 380 R CA 1.922 58.040 56.100 0.029 0.000 0.951 380 R CB -0.675 29.646 30.300 0.035 0.000 0.851 380 R HN 0.413 nan 8.270 nan 0.000 0.434 381 M N -0.456 119.181 119.600 0.063 0.000 2.065 381 M HA -0.197 4.268 4.480 -0.026 0.000 0.259 381 M C 1.787 178.114 176.300 0.045 0.000 1.069 381 M CA 2.046 57.394 55.300 0.080 0.000 1.110 381 M CB -0.115 32.578 32.600 0.154 0.000 1.328 381 M HN 0.142 nan 8.290 nan 0.000 0.405 382 V N 0.750 120.674 119.914 0.017 0.000 2.295 382 V HA -0.281 3.823 4.120 -0.026 0.000 0.246 382 V C 2.012 178.097 176.094 -0.015 0.000 1.049 382 V CA 2.325 64.609 62.300 -0.027 0.000 1.024 382 V CB -0.783 31.003 31.823 -0.061 0.000 0.648 382 V HN 0.552 nan 8.190 nan 0.000 0.447 383 E N -0.396 119.799 120.200 -0.008 0.000 2.051 383 E HA -0.137 4.198 4.350 -0.026 0.000 0.189 383 E C 1.735 178.335 176.600 0.000 0.000 0.979 383 E CA 1.335 57.731 56.400 -0.007 0.000 0.803 383 E CB -0.066 29.627 29.700 -0.011 0.000 0.761 383 E HN 0.527 nan 8.360 nan 0.000 0.451 384 D N -0.715 119.688 120.400 0.006 0.000 2.388 384 D HA 0.030 4.655 4.640 -0.026 0.000 0.208 384 D C 1.596 177.905 176.300 0.015 0.000 1.035 384 D CA 0.331 54.336 54.000 0.008 0.000 0.875 384 D CB 0.826 41.629 40.800 0.004 0.000 0.984 384 D HN -0.006 nan 8.370 nan 0.000 0.508 385 V N 0.203 120.132 119.914 0.025 0.000 2.599 385 V HA 0.072 4.176 4.120 -0.026 0.000 0.237 385 V C 2.231 178.350 176.094 0.042 0.000 1.081 385 V CA 0.437 62.758 62.300 0.036 0.000 1.107 385 V CB -0.041 31.811 31.823 0.049 0.000 0.808 385 V HN 0.047 nan 8.190 nan 0.000 0.486 386 L N -0.445 120.805 121.223 0.045 0.000 2.270 386 L HA 0.153 4.478 4.340 -0.026 0.000 0.210 386 L C 0.640 177.527 176.870 0.027 0.000 1.104 386 L CA 0.538 55.407 54.840 0.048 0.000 0.804 386 L CB -0.416 41.670 42.059 0.045 0.000 0.937 386 L HN 0.424 nan 8.230 nan 0.000 0.450 387 E N 0.682 120.890 120.200 0.014 0.000 2.252 387 E HA -0.236 4.099 4.350 -0.026 0.000 0.218 387 E C 0.529 177.129 176.600 -0.000 0.000 1.253 387 E CA 0.526 56.929 56.400 0.007 0.000 0.705 387 E CB -1.430 28.277 29.700 0.012 0.000 1.172 387 E HN 0.698 nan 8.360 nan 0.000 0.369 388 I N -3.564 116.996 120.570 -0.017 0.000 4.009 388 I HA 0.466 4.620 4.170 -0.026 0.000 0.331 388 I C 0.808 176.907 176.117 -0.030 0.000 1.462 388 I CA -0.131 61.152 61.300 -0.028 0.000 1.117 388 I CB 1.102 39.065 38.000 -0.063 0.000 1.091 388 I HN 0.131 nan 8.210 nan 0.000 0.410 389 G N 0.976 109.762 108.800 -0.023 0.000 2.608 389 G HA2 0.576 4.521 3.960 -0.026 0.000 0.291 389 G HA3 0.576 4.521 3.960 -0.026 0.000 0.291 389 G C -1.326 173.567 174.900 -0.012 0.000 1.425 389 G CA -0.220 44.869 45.100 -0.019 0.000 0.787 389 G HN 0.202 nan 8.290 nan 0.000 0.484 390 V N -1.867 118.042 119.914 -0.007 0.000 2.919 390 V HA 0.919 5.023 4.120 -0.026 0.000 0.316 390 V C 0.082 176.168 176.094 -0.014 0.000 1.077 390 V CA -1.188 61.107 62.300 -0.008 0.000 0.977 390 V CB 1.614 33.435 31.823 -0.003 0.000 1.039 390 V HN 1.186 nan 8.190 nan 0.000 0.441 391 R N 3.413 123.902 120.500 -0.019 0.000 2.500 391 R HA 0.738 5.063 4.340 -0.026 0.000 0.277 391 R C -0.236 176.048 176.300 -0.026 0.000 1.026 391 R CA -0.695 55.390 56.100 -0.025 0.000 1.058 391 R CB 1.368 31.649 30.300 -0.032 0.000 1.078 391 R HN 0.926 nan 8.270 nan 0.000 0.509 392 I N -0.389 120.166 120.570 -0.025 0.000 2.312 392 I HA 0.223 4.377 4.170 -0.026 0.000 0.291 392 I C -0.215 175.874 176.117 -0.047 0.000 1.031 392 I CA -0.833 60.454 61.300 -0.022 0.000 1.293 392 I CB 1.195 39.213 38.000 0.030 0.000 1.403 392 I HN 0.518 nan 8.210 nan 0.000 0.484 393 E N 5.614 125.785 120.200 -0.047 0.000 2.694 393 E HA 0.016 4.351 4.350 -0.026 0.000 0.250 393 E C 1.217 177.781 176.600 -0.060 0.000 0.963 393 E CA 1.129 57.499 56.400 -0.051 0.000 0.949 393 E CB 0.435 30.107 29.700 -0.047 0.000 0.911 393 E HN 1.125 nan 8.360 nan 0.000 0.500 394 G N 2.927 111.687 108.800 -0.068 0.000 2.217 394 G HA2 -0.322 3.622 3.960 -0.026 0.000 0.246 394 G HA3 -0.322 3.622 3.960 -0.026 0.000 0.246 394 G C 0.971 175.804 174.900 -0.112 0.000 0.990 394 G CA 0.219 45.271 45.100 -0.080 0.000 0.627 394 G HN 1.265 nan 8.290 nan 0.000 0.522 395 G N -1.881 106.844 108.800 -0.126 0.000 2.168 395 G HA2 0.107 4.051 3.960 -0.026 0.000 0.263 395 G HA3 0.107 4.051 3.960 -0.026 0.000 0.263 395 G C 0.887 175.616 174.900 -0.286 0.000 0.977 395 G CA 1.837 46.823 45.100 -0.191 0.000 0.659 395 G HN 2.409 nan 8.290 nan 0.000 0.533 396 V N -3.232 116.547 119.914 -0.224 0.000 2.789 396 V HA 0.840 4.945 4.120 -0.026 0.000 0.311 396 V C 0.358 176.392 176.094 -0.101 0.000 1.073 396 V CA -2.187 59.951 62.300 -0.272 0.000 0.921 396 V CB 1.462 33.169 31.823 -0.193 0.000 1.009 396 V HN 0.323 nan 8.190 nan 0.000 0.426 397 F N 3.227 123.088 119.950 -0.149 0.000 2.590 397 F HA 0.475 4.980 4.527 -0.035 0.000 0.389 397 F C 1.248 176.978 175.800 -0.116 0.000 1.049 397 F CA 0.480 58.401 58.000 -0.132 0.000 1.199 397 F CB 0.093 39.021 39.000 -0.119 0.000 1.058 397 F HN 0.904 nan 8.300 nan 0.000 0.556 398 T N 0.195 114.793 114.554 0.073 0.000 2.908 398 T HA 0.340 4.674 4.350 -0.026 0.000 0.290 398 T C 1.000 175.656 174.700 -0.073 0.000 1.034 398 T CA -1.065 61.031 62.100 -0.007 0.000 1.010 398 T CB 2.316 71.168 68.868 -0.027 0.000 1.068 398 T HN 0.613 nan 8.240 nan 0.000 0.481 399 K N 1.023 121.382 120.400 -0.068 0.000 2.001 399 K HA -0.188 4.116 4.320 -0.026 0.000 0.214 399 K C 2.302 178.831 176.600 -0.119 0.000 1.050 399 K CA 2.302 58.535 56.287 -0.091 0.000 0.934 399 K CB -0.656 31.818 32.500 -0.043 0.000 0.718 399 K HN 0.729 nan 8.250 nan 0.000 0.443 400 S N -0.437 115.211 115.700 -0.086 0.000 2.402 400 S HA -0.050 4.405 4.470 -0.026 0.000 0.229 400 S C 2.203 176.727 174.600 -0.128 0.000 1.021 400 S CA 0.910 59.057 58.200 -0.089 0.000 0.974 400 S CB -0.737 62.429 63.200 -0.056 0.000 0.800 400 S HN 0.518 nan 8.310 nan 0.000 0.484 401 G N 1.984 110.708 108.800 -0.126 0.000 2.418 401 G HA2 -0.026 3.919 3.960 -0.026 0.000 0.217 401 G HA3 -0.026 3.919 3.960 -0.026 0.000 0.217 401 G C 1.445 176.196 174.900 -0.248 0.000 1.158 401 G CA 0.832 45.848 45.100 -0.139 0.000 0.771 401 G HN 0.487 nan 8.290 nan 0.000 0.545 402 L N -0.178 120.828 121.223 -0.362 0.000 2.046 402 L HA -0.043 4.281 4.340 -0.026 0.000 0.208 402 L C 3.117 179.341 176.870 -1.077 0.000 1.077 402 L CA 1.063 55.451 54.840 -0.753 0.000 0.747 402 L CB -0.298 41.272 42.059 -0.815 0.000 0.896 402 L HN 0.235 nan 8.230 nan 0.000 0.432 403 M N -1.273 117.956 119.600 -0.619 0.000 2.149 403 M HA -0.232 4.232 4.480 -0.026 0.000 0.261 403 M C 2.580 178.763 176.300 -0.195 0.000 1.064 403 M CA 1.765 56.866 55.300 -0.331 0.000 1.102 403 M CB -0.465 32.074 32.600 -0.101 0.000 1.369 403 M HN 0.205 nan 8.290 nan 0.000 0.408 404 S N -0.104 115.484 115.700 -0.186 0.000 2.356 404 S HA -0.169 4.285 4.470 -0.026 0.000 0.223 404 S C 1.975 176.518 174.600 -0.095 0.000 1.032 404 S CA 1.479 59.615 58.200 -0.105 0.000 1.005 404 S CB -0.337 62.809 63.200 -0.089 0.000 0.867 404 S HN 0.603 nan 8.310 nan 0.000 0.449 405 C N 1.195 120.387 119.300 -0.179 0.000 2.429 405 C HA -0.003 4.442 4.460 -0.026 0.000 0.277 405 C C 2.290 177.311 174.990 0.052 0.000 1.262 405 C CA 0.467 59.428 59.018 -0.096 0.000 1.733 405 C CB -1.905 25.747 27.740 -0.147 0.000 2.010 405 C HN 0.620 nan 8.230 nan 0.000 0.483 406 F N 1.468 121.403 119.950 -0.025 0.000 2.102 406 F HA -0.104 4.418 4.527 -0.008 0.000 0.298 406 F C 2.146 177.945 175.800 -0.002 0.000 1.105 406 F CA 1.794 59.786 58.000 -0.012 0.000 1.239 406 F CB -1.538 37.452 39.000 -0.016 0.000 0.991 406 F HN 0.250 nan 8.300 nan 0.000 0.474 407 D N -0.238 120.270 120.400 0.180 0.000 2.092 407 D HA -0.192 4.432 4.640 -0.026 0.000 0.193 407 D C 2.116 178.456 176.300 0.067 0.000 0.994 407 D CA 1.635 55.692 54.000 0.096 0.000 0.828 407 D CB -0.186 40.646 40.800 0.055 0.000 0.963 407 D HN 0.316 nan 8.370 nan 0.000 0.450 408 Q N -0.403 119.427 119.800 0.050 0.000 2.077 408 Q HA -0.166 4.159 4.340 -0.026 0.000 0.206 408 Q C 2.489 178.517 176.000 0.046 0.000 0.989 408 Q CA 1.547 57.370 55.803 0.034 0.000 0.853 408 Q CB -0.124 28.626 28.738 0.020 0.000 0.907 408 Q HN 0.467 nan 8.270 nan 0.000 0.418 409 I N -0.169 120.443 120.570 0.069 0.000 2.277 409 I HA -0.209 3.945 4.170 -0.026 0.000 0.243 409 I C 1.996 178.151 176.117 0.064 0.000 1.094 409 I CA 0.842 62.184 61.300 0.069 0.000 1.393 409 I CB -0.045 38.012 38.000 0.094 0.000 1.078 409 I HN 0.179 nan 8.210 nan 0.000 0.417 410 L N -0.640 120.629 121.223 0.076 0.000 2.209 410 L HA -0.012 4.312 4.340 -0.026 0.000 0.207 410 L C 2.001 178.895 176.870 0.040 0.000 1.094 410 L CA 0.882 55.755 54.840 0.056 0.000 0.790 410 L CB -0.187 41.904 42.059 0.054 0.000 0.932 410 L HN 0.097 nan 8.230 nan 0.000 0.447 411 S N -2.318 113.407 115.700 0.042 0.000 2.559 411 S HA 0.191 4.646 4.470 -0.026 0.000 0.226 411 S C 0.537 175.151 174.600 0.023 0.000 1.030 411 S CA -0.344 57.873 58.200 0.029 0.000 0.956 411 S CB 0.669 63.886 63.200 0.029 0.000 0.900 411 S HN 0.189 nan 8.310 nan 0.000 0.510 412 Q N 0.752 120.567 119.800 0.025 0.000 2.333 412 Q HA 0.408 4.732 4.340 -0.026 0.000 0.266 412 Q C 0.801 176.811 176.000 0.017 0.000 1.053 412 Q CA -0.455 55.359 55.803 0.018 0.000 0.890 412 Q CB 0.666 29.415 28.738 0.017 0.000 1.337 412 Q HN 0.038 nan 8.270 nan 0.000 0.474 413 E N 1.369 121.577 120.200 0.012 0.000 2.085 413 E HA -0.253 4.082 4.350 -0.026 0.000 0.194 413 E C 1.496 178.103 176.600 0.012 0.000 0.994 413 E CA 1.898 58.304 56.400 0.011 0.000 0.801 413 E CB 0.106 29.811 29.700 0.008 0.000 0.743 413 E HN 0.476 nan 8.360 nan 0.000 0.453 414 K N -0.128 120.280 120.400 0.013 0.000 2.059 414 K HA -0.130 4.174 4.320 -0.026 0.000 0.212 414 K C 2.034 178.645 176.600 0.017 0.000 1.050 414 K CA 2.073 58.368 56.287 0.013 0.000 0.927 414 K CB -1.134 31.374 32.500 0.013 0.000 0.714 414 K HN 0.250 nan 8.250 nan 0.000 0.447 415 G N 0.341 109.155 108.800 0.023 0.000 2.422 415 G HA2 -0.240 3.705 3.960 -0.026 0.000 0.218 415 G HA3 -0.240 3.705 3.960 -0.026 0.000 0.218 415 G C 1.260 176.172 174.900 0.022 0.000 1.146 415 G CA 0.923 46.040 45.100 0.027 0.000 0.769 415 G HN 0.383 nan 8.290 nan 0.000 0.547 416 K N 0.454 120.865 120.400 0.018 0.000 2.057 416 K HA -0.046 4.258 4.320 -0.026 0.000 0.207 416 K C 2.513 179.121 176.600 0.013 0.000 1.049 416 K CA 1.152 57.447 56.287 0.014 0.000 0.931 416 K CB -0.122 32.385 32.500 0.012 0.000 0.714 416 K HN 0.210 nan 8.250 nan 0.000 0.440 417 K N 0.865 121.273 120.400 0.013 0.000 2.057 417 K HA -0.051 4.253 4.320 -0.026 0.000 0.206 417 K C 2.184 178.792 176.600 0.014 0.000 1.050 417 K CA 0.995 57.289 56.287 0.013 0.000 0.935 417 K CB -0.144 32.363 32.500 0.012 0.000 0.715 417 K HN 0.095 nan 8.250 nan 0.000 0.439 418 L N 0.577 121.808 121.223 0.014 0.000 2.046 418 L HA -0.177 4.148 4.340 -0.026 0.000 0.208 418 L C 2.535 179.412 176.870 0.012 0.000 1.077 418 L CA 1.300 56.148 54.840 0.012 0.000 0.747 418 L CB -0.486 41.581 42.059 0.014 0.000 0.896 418 L HN 0.160 nan 8.230 nan 0.000 0.432 419 R N -0.029 120.480 120.500 0.015 0.000 2.096 419 R HA -0.149 4.175 4.340 -0.026 0.000 0.235 419 R C 2.238 178.545 176.300 0.012 0.000 1.127 419 R CA 1.222 57.330 56.100 0.013 0.000 0.968 419 R CB -0.207 30.102 30.300 0.014 0.000 0.861 419 R HN 0.455 nan 8.270 nan 0.000 0.440 420 E N 0.375 120.583 120.200 0.013 0.000 2.051 420 E HA -0.161 4.174 4.350 -0.026 0.000 0.192 420 E C 1.693 178.305 176.600 0.020 0.000 0.991 420 E CA 0.981 57.390 56.400 0.015 0.000 0.799 420 E CB -0.096 29.613 29.700 0.015 0.000 0.748 420 E HN 0.328 nan 8.360 nan 0.000 0.449 421 N N 1.027 119.739 118.700 0.020 0.000 2.104 421 N HA -0.153 4.571 4.740 -0.026 0.000 0.190 421 N C 2.046 177.573 175.510 0.029 0.000 1.024 421 N CA 0.851 53.918 53.050 0.027 0.000 0.853 421 N CB -0.448 38.053 38.487 0.023 0.000 1.008 421 N HN 0.134 nan 8.380 nan 0.000 0.424 422 L N 0.765 121.997 121.223 0.015 0.000 2.046 422 L HA -0.114 4.211 4.340 -0.026 0.000 0.208 422 L C 2.496 179.379 176.870 0.021 0.000 1.077 422 L CA 1.153 55.999 54.840 0.009 0.000 0.747 422 L CB -0.219 41.838 42.059 -0.005 0.000 0.896 422 L HN 0.129 nan 8.230 nan 0.000 0.432 423 R N -0.420 120.091 120.500 0.019 0.000 2.081 423 R HA -0.133 4.192 4.340 -0.026 0.000 0.235 423 R C 2.395 178.710 176.300 0.025 0.000 1.131 423 R CA 1.352 57.462 56.100 0.017 0.000 0.960 423 R CB -0.457 29.850 30.300 0.011 0.000 0.856 423 R HN 0.371 nan 8.270 nan 0.000 0.436 424 A N 1.043 123.884 122.820 0.034 0.000 1.930 424 A HA -0.126 4.178 4.320 -0.026 0.000 0.217 424 A C 2.055 179.679 177.584 0.067 0.000 1.175 424 A CA 0.843 52.907 52.037 0.045 0.000 0.627 424 A CB -0.385 18.644 19.000 0.049 0.000 0.815 424 A HN 0.223 nan 8.150 nan 0.000 0.443 425 L N -0.048 121.230 121.223 0.090 0.000 2.017 425 L HA -0.116 4.209 4.340 -0.026 0.000 0.208 425 L C 2.447 179.384 176.870 0.113 0.000 1.073 425 L CA 2.349 57.283 54.840 0.157 0.000 0.745 425 L CB -0.585 41.583 42.059 0.181 0.000 0.894 425 L HN 0.446 nan 8.230 nan 0.000 0.432 426 R N -0.682 119.860 120.500 0.070 0.000 2.096 426 R HA -0.236 4.088 4.340 -0.026 0.000 0.235 426 R C 2.247 178.523 176.300 -0.040 0.000 1.127 426 R CA 1.666 57.782 56.100 0.027 0.000 0.968 426 R CB -0.196 30.119 30.300 0.026 0.000 0.861 426 R HN 0.489 nan 8.270 nan 0.000 0.440 427 E N -0.115 120.072 120.200 -0.020 0.000 2.051 427 E HA -0.132 4.203 4.350 -0.026 0.000 0.192 427 E C 1.617 178.177 176.600 -0.066 0.000 0.991 427 E CA 2.315 58.695 56.400 -0.033 0.000 0.799 427 E CB -0.330 29.366 29.700 -0.006 0.000 0.748 427 E HN 0.256 nan 8.360 nan 0.000 0.449 428 T N 0.389 114.911 114.554 -0.053 0.000 2.684 428 T HA -0.185 4.150 4.350 -0.026 0.000 0.267 428 T C 1.839 176.332 174.700 -0.345 0.000 1.036 428 T CA 1.825 63.881 62.100 -0.074 0.000 1.148 428 T CB -0.665 68.262 68.868 0.099 0.000 0.863 428 T HN 0.378 nan 8.240 nan 0.000 0.436 429 A N 1.929 124.362 122.820 -0.645 0.000 1.877 429 A HA -0.175 4.130 4.320 -0.026 0.000 0.216 429 A C 2.158 179.456 177.584 -0.477 0.000 1.186 429 A CA 1.825 53.221 52.037 -1.069 0.000 0.620 429 A CB -0.733 17.791 19.000 -0.793 0.000 0.822 429 A HN 0.351 nan 8.150 nan 0.000 0.443 430 D N -0.565 119.682 120.400 -0.255 0.000 2.123 430 D HA -0.131 4.494 4.640 -0.026 0.000 0.196 430 D C 2.192 178.424 176.300 -0.113 0.000 0.992 430 D CA 1.152 55.067 54.000 -0.141 0.000 0.833 430 D CB -0.316 40.433 40.800 -0.085 0.000 0.954 430 D HN 0.443 nan 8.370 nan 0.000 0.455 431 R N 0.475 120.911 120.500 -0.106 0.000 2.096 431 R HA -0.020 4.304 4.340 -0.026 0.000 0.235 431 R C 2.274 178.545 176.300 -0.049 0.000 1.127 431 R CA 1.112 57.178 56.100 -0.058 0.000 0.968 431 R CB -0.206 30.076 30.300 -0.031 0.000 0.861 431 R HN 0.081 nan 8.270 nan 0.000 0.440 432 A N 0.814 123.583 122.820 -0.084 0.000 1.972 432 A HA -0.115 4.190 4.320 -0.026 0.000 0.219 432 A C 2.088 179.662 177.584 -0.016 0.000 1.169 432 A CA 1.688 53.713 52.037 -0.020 0.000 0.635 432 A CB -0.313 18.692 19.000 0.008 0.000 0.810 432 A HN 0.279 nan 8.150 nan 0.000 0.446 433 V N -3.052 116.827 119.914 -0.058 0.000 3.596 433 V HA 0.476 4.581 4.120 -0.026 0.000 0.289 433 V C 1.054 177.125 176.094 -0.039 0.000 1.336 433 V CA 0.107 62.383 62.300 -0.041 0.000 1.137 433 V CB -0.925 30.867 31.823 -0.053 0.000 0.966 433 V HN 0.389 nan 8.190 nan 0.000 0.428 434 G N 1.120 109.899 108.800 -0.034 0.000 2.563 434 G HA2 0.510 4.455 3.960 -0.026 0.000 0.283 434 G HA3 0.510 4.455 3.960 -0.026 0.000 0.283 434 G C -2.835 172.059 174.900 -0.011 0.000 1.309 434 G CA -1.472 43.613 45.100 -0.025 0.000 1.022 434 G HN 0.377 nan 8.290 nan 0.000 0.501 435 P HA 0.156 nan 4.420 nan 0.000 0.268 435 P C 0.149 177.454 177.300 0.008 0.000 1.205 435 P CA 0.181 63.282 63.100 0.001 0.000 0.771 435 P CB 0.923 32.623 31.700 -0.001 0.000 0.858 436 K N 0.877 121.286 120.400 0.015 0.000 3.529 436 K HA -0.165 4.139 4.320 -0.026 0.000 0.313 436 K C 0.446 177.061 176.600 0.024 0.000 1.316 436 K CA 1.418 57.716 56.287 0.019 0.000 0.988 436 K CB -1.997 30.513 32.500 0.016 0.000 1.252 436 K HN 0.687 nan 8.250 nan 0.000 0.438 437 G N 0.259 109.072 108.800 0.022 0.000 2.544 437 G HA2 0.281 4.225 3.960 -0.026 0.000 0.242 437 G HA3 0.281 4.225 3.960 -0.026 0.000 0.242 437 G C 1.018 175.944 174.900 0.044 0.000 1.247 437 G CA -0.048 45.068 45.100 0.027 0.000 0.840 437 G HN 0.563 nan 8.290 nan 0.000 0.578 438 S N 1.007 116.742 115.700 0.058 0.000 2.374 438 S HA -0.189 4.265 4.470 -0.026 0.000 0.227 438 S C 2.336 176.978 174.600 0.070 0.000 1.037 438 S CA 1.831 60.070 58.200 0.065 0.000 1.024 438 S CB -0.448 62.801 63.200 0.082 0.000 0.861 438 S HN 0.416 nan 8.310 nan 0.000 0.456 439 S N 1.443 117.192 115.700 0.083 0.000 2.383 439 S HA -0.043 4.411 4.470 -0.026 0.000 0.227 439 S C 2.094 176.760 174.600 0.110 0.000 1.026 439 S CA 1.451 59.711 58.200 0.099 0.000 0.981 439 S CB -0.858 62.403 63.200 0.102 0.000 0.818 439 S HN 0.738 nan 8.310 nan 0.000 0.472 440 T N 2.402 117.001 114.554 0.076 0.000 2.708 440 T HA -0.089 4.245 4.350 -0.026 0.000 0.266 440 T C 1.753 176.523 174.700 0.116 0.000 1.037 440 T CA 1.097 63.248 62.100 0.086 0.000 1.146 440 T CB -0.262 68.631 68.868 0.043 0.000 0.865 440 T HN 0.374 nan 8.240 nan 0.000 0.435 441 E N 1.353 121.601 120.200 0.079 0.000 2.072 441 E HA -0.073 4.262 4.350 -0.026 0.000 0.191 441 E C 2.245 178.879 176.600 0.057 0.000 0.985 441 E CA 0.743 57.179 56.400 0.061 0.000 0.801 441 E CB -0.393 29.332 29.700 0.043 0.000 0.750 441 E HN 0.422 nan 8.360 nan 0.000 0.452 442 N N 0.687 119.426 118.700 0.066 0.000 2.166 442 N HA -0.146 4.579 4.740 -0.026 0.000 0.186 442 N C 1.644 177.185 175.510 0.052 0.000 1.019 442 N CA 0.650 53.728 53.050 0.047 0.000 0.856 442 N CB -0.500 38.012 38.487 0.042 0.000 0.993 442 N HN 0.124 nan 8.380 nan 0.000 0.426 443 F N 1.606 121.538 119.950 -0.030 0.000 2.186 443 F HA 0.040 4.551 4.527 -0.026 0.000 0.299 443 F C 2.082 177.845 175.800 -0.062 0.000 1.090 443 F CA 0.679 58.643 58.000 -0.060 0.000 1.307 443 F CB -0.191 38.777 39.000 -0.054 0.000 1.019 443 F HN -0.083 nan 8.300 nan 0.000 0.489 444 I N -0.479 120.093 120.570 0.002 0.000 2.208 444 I HA -0.356 3.799 4.170 -0.026 0.000 0.245 444 I C 2.223 178.258 176.117 -0.137 0.000 1.097 444 I CA 1.824 63.083 61.300 -0.069 0.000 1.363 444 I CB -0.890 37.116 38.000 0.011 0.000 1.051 444 I HN 0.096 nan 8.210 nan 0.000 0.413 445 T N 1.123 115.617 114.554 -0.100 0.000 2.720 445 T HA -0.204 4.131 4.350 -0.026 0.000 0.268 445 T C 1.835 176.436 174.700 -0.164 0.000 1.037 445 T CA 1.445 63.487 62.100 -0.096 0.000 1.144 445 T CB -0.332 68.505 68.868 -0.053 0.000 0.864 445 T HN 0.193 nan 8.240 nan 0.000 0.444 446 L N 1.178 122.237 121.223 -0.273 0.000 2.056 446 L HA 0.027 4.352 4.340 -0.026 0.000 0.207 446 L C 2.437 179.060 176.870 -0.411 0.000 1.078 446 L CA 1.313 55.929 54.840 -0.372 0.000 0.749 446 L CB -0.671 41.057 42.059 -0.551 0.000 0.901 446 L HN 0.057 nan 8.230 nan 0.000 0.433 447 V N 0.093 119.680 119.914 -0.545 0.000 2.324 447 V HA -0.333 3.771 4.120 -0.026 0.000 0.250 447 V C 2.281 178.276 176.094 -0.165 0.000 1.060 447 V CA 2.039 64.114 62.300 -0.375 0.000 1.042 447 V CB -0.851 30.761 31.823 -0.351 0.000 0.650 447 V HN 0.470 nan 8.190 nan 0.000 0.450 448 D N -0.018 120.299 120.400 -0.138 0.000 2.117 448 D HA -0.131 4.493 4.640 -0.026 0.000 0.197 448 D C 2.137 178.404 176.300 -0.055 0.000 0.987 448 D CA 1.230 55.191 54.000 -0.065 0.000 0.829 448 D CB -0.302 40.466 40.800 -0.053 0.000 0.961 448 D HN 0.349 nan 8.370 nan 0.000 0.460 449 L N 0.598 121.772 121.223 -0.081 0.000 2.017 449 L HA -0.141 4.183 4.340 -0.026 0.000 0.208 449 L C 2.576 179.418 176.870 -0.047 0.000 1.073 449 L CA 0.982 55.789 54.840 -0.055 0.000 0.745 449 L CB -0.535 41.490 42.059 -0.056 0.000 0.894 449 L HN 0.043 nan 8.230 nan 0.000 0.432 450 V N -5.213 114.658 119.914 -0.072 0.000 2.970 450 V HA -0.076 4.028 4.120 -0.026 0.000 0.260 450 V C 2.105 178.159 176.094 -0.067 0.000 1.100 450 V CA 1.615 63.884 62.300 -0.051 0.000 1.122 450 V CB -0.045 31.775 31.823 -0.004 0.000 0.721 450 V HN 0.287 nan 8.190 nan 0.000 0.483 451 S N -0.439 115.239 115.700 -0.037 0.000 2.522 451 S HA 0.130 4.585 4.470 -0.026 0.000 0.227 451 S C 0.907 175.525 174.600 0.029 0.000 0.986 451 S CA 0.288 58.490 58.200 0.002 0.000 0.929 451 S CB -0.324 62.936 63.200 0.101 0.000 0.769 451 S HN 0.659 nan 8.310 nan 0.000 0.529 452 K N 2.934 123.337 120.400 0.005 0.000 2.379 452 K HA 0.155 4.460 4.320 -0.026 0.000 0.284 452 K C -2.411 174.195 176.600 0.009 0.000 1.044 452 K CA -1.464 54.832 56.287 0.015 0.000 0.974 452 K CB 0.358 32.862 32.500 0.007 0.000 0.962 452 K HN 0.144 nan 8.250 nan 0.000 0.474 453 P HA -0.012 nan 4.420 nan 0.000 0.273 453 P C -0.707 176.600 177.300 0.010 0.000 1.250 453 P CA -0.309 62.801 63.100 0.016 0.000 0.793 453 P CB 0.603 32.320 31.700 0.027 0.000 1.011 454 K N 1.041 121.446 120.400 0.008 0.000 2.448 454 K HA 0.023 4.328 4.320 -0.026 0.000 0.278 454 K C -0.148 176.459 176.600 0.011 0.000 1.009 454 K CA -0.142 56.150 56.287 0.008 0.000 0.995 454 K CB -0.044 32.460 32.500 0.006 0.000 0.917 454 K HN 0.343 nan 8.250 nan 0.000 0.481 455 D N 2.361 122.768 120.400 0.012 0.000 2.472 455 D HA -0.032 4.592 4.640 -0.026 0.000 0.237 455 D C 0.441 176.747 176.300 0.010 0.000 1.141 455 D CA -0.053 53.953 54.000 0.012 0.000 0.875 455 D CB 0.702 41.509 40.800 0.013 0.000 1.192 455 D HN 0.342 nan 8.370 nan 0.000 0.450 456 V N 0.000 119.920 119.914 0.009 0.000 2.409 456 V HA 0.000 4.104 4.120 -0.026 0.000 0.244 456 V CA 0.000 62.305 62.300 0.008 0.000 1.235 456 V CB 0.000 31.828 31.823 0.008 0.000 1.184 456 V HN 0.000 nan 8.190 nan 0.000 0.556