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 2hqm_1_A DATA FIRST_RESID 22 DATA SEQUENCE KHYDYLVIGG GSGGVASARR AASYGAKTLL VEAKALGGTc VNVGcVPKKV DATA SEQUENCE MWYASDLATR VSHANEYGLY QNLPLDKEHL TFNWPEFKQK RDAYVHRLNG DATA SEQUENCE IYQKNLEKEK VDVVFGWARF NKDGNVEVQK RDNTTEVYSA NHILVATGGK DATA SEQUENCE AIFPENIPGF ELGTDSDGFF RLEEQPKKVV VVGAGYIGIE LAGVFHGLGS DATA SEQUENCE ETHLVIRGET VLRKFDECIQ NTITDHYVKE GINVHKLSKI VKVEKNVXTD DATA SEQUENCE KLKIHMNDSK SIDDVDELIW TIGRKSHLGM GSENVGIKLN SHDQIIADEY DATA SEQUENCE QNTNVPNIYS LGDVVGKVEL TPVAIAAGRK LSNRLFGPEK FRNDKLDYEN DATA SEQUENCE VPSVIFSHPE AGSIGISEKE AIEKYGKENI KVYNSKFTAM YYAMLSEKSP DATA SEQUENCE TRYKIVCAGP NEKVVGLHIV GDSSAEILQG FGVAIKMGAT KADFDNCVAI DATA SEQUENCE HPTSAEELVT MR 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 22 K HA 0.000 nan 4.320 nan 0.000 0.191 22 K C 0.000 176.754 176.600 0.257 0.000 0.988 22 K CA 0.000 56.369 56.287 0.137 0.000 0.838 22 K CB 0.000 32.514 32.500 0.024 0.000 1.064 23 H N 0.004 119.090 119.070 0.026 0.000 2.469 23 H HA 0.635 5.200 4.556 0.015 0.000 0.342 23 H C -1.520 173.754 175.328 -0.090 0.000 1.115 23 H CA -0.517 55.570 56.048 0.064 0.000 1.204 23 H CB 0.865 30.643 29.762 0.027 0.000 1.492 23 H HN 0.101 nan 8.280 nan 0.000 0.499 24 Y N 1.712 121.674 120.300 -0.563 0.000 2.634 24 Y HA 0.173 4.730 4.550 0.012 0.000 0.340 24 Y C 0.781 176.470 175.900 -0.353 0.000 1.058 24 Y CA -0.819 57.099 58.100 -0.303 0.000 1.081 24 Y CB 1.632 40.003 38.460 -0.148 0.000 1.295 24 Y HN 0.660 nan 8.280 nan 0.000 0.487 25 D N -0.136 120.315 120.400 0.085 0.000 2.137 25 D HA -0.102 4.547 4.640 0.015 0.000 0.202 25 D C -0.675 175.845 176.300 0.366 0.000 0.970 25 D CA 1.827 55.927 54.000 0.167 0.000 0.837 25 D CB 0.286 41.123 40.800 0.061 0.000 0.981 25 D HN 0.267 nan 8.370 nan 0.000 0.475 26 Y N 0.236 120.596 120.300 0.100 0.000 2.396 26 Y HA 0.469 5.028 4.550 0.015 0.000 0.332 26 Y C -1.541 174.357 175.900 -0.004 0.000 1.034 26 Y CA -1.279 56.909 58.100 0.146 0.000 1.057 26 Y CB 1.102 39.581 38.460 0.031 0.000 1.220 26 Y HN -0.243 nan 8.280 nan 0.000 0.440 27 L N 6.542 127.688 121.223 -0.129 0.000 2.356 27 L HA 0.796 5.145 4.340 0.015 0.000 0.277 27 L C -1.597 174.982 176.870 -0.484 0.000 0.996 27 L CA -0.815 53.810 54.840 -0.359 0.000 0.822 27 L CB 1.326 43.233 42.059 -0.254 0.000 1.256 27 L HN 0.459 nan 8.230 nan 0.000 0.413 28 V N 6.406 125.994 119.914 -0.543 0.000 2.357 28 V HA 0.378 4.507 4.120 0.015 0.000 0.284 28 V C 0.159 176.024 176.094 -0.381 0.000 1.018 28 V CA -0.382 61.632 62.300 -0.476 0.000 0.841 28 V CB 1.609 33.147 31.823 -0.474 0.000 0.991 28 V HN 0.568 nan 8.190 nan 0.000 0.437 29 I N 4.936 125.313 120.570 -0.322 0.000 2.291 29 I HA 0.655 4.834 4.170 0.015 0.000 0.292 29 I C 0.787 176.725 176.117 -0.299 0.000 1.064 29 I CA 0.201 61.294 61.300 -0.344 0.000 1.269 29 I CB 0.836 38.618 38.000 -0.363 0.000 1.418 29 I HN 0.864 nan 8.210 nan 0.000 0.485 30 G N 3.611 112.222 108.800 -0.314 0.000 3.305 30 G HA2 0.019 3.988 3.960 0.015 0.000 0.649 30 G HA3 0.019 3.988 3.960 0.015 0.000 0.649 30 G C 0.014 174.777 174.900 -0.229 0.000 1.255 30 G CA -0.591 44.352 45.100 -0.262 0.000 1.137 30 G HN 0.891 nan 8.290 nan 0.000 0.535 31 G N 0.640 109.303 108.800 -0.229 0.000 3.639 31 G HA2 0.620 4.589 3.960 0.015 0.000 0.279 31 G HA3 0.620 4.589 3.960 0.015 0.000 0.279 31 G C 0.897 175.677 174.900 -0.200 0.000 1.312 31 G CA 0.947 45.914 45.100 -0.222 0.000 1.355 31 G HN 1.189 nan 8.290 nan 0.000 0.595 32 G N -0.151 108.554 108.800 -0.158 0.000 2.736 32 G HA2 0.379 4.348 3.960 0.015 0.000 0.229 32 G HA3 0.379 4.348 3.960 0.015 0.000 0.229 32 G C 1.225 176.057 174.900 -0.113 0.000 1.380 32 G CA 0.382 45.398 45.100 -0.140 0.000 1.040 32 G HN 0.155 nan 8.290 nan 0.000 0.568 33 S N -0.224 115.435 115.700 -0.069 0.000 2.359 33 S HA -0.158 4.321 4.470 0.015 0.000 0.222 33 S C 2.459 177.054 174.600 -0.009 0.000 1.038 33 S CA 1.971 60.156 58.200 -0.025 0.000 1.051 33 S CB -0.821 62.381 63.200 0.003 0.000 0.944 33 S HN 0.781 nan 8.310 nan 0.000 0.433 34 G N 0.802 109.600 108.800 -0.005 0.000 2.404 34 G HA2 0.026 3.995 3.960 0.015 0.000 0.215 34 G HA3 0.026 3.995 3.960 0.015 0.000 0.215 34 G C 1.467 176.365 174.900 -0.003 0.000 1.174 34 G CA 0.899 46.005 45.100 0.010 0.000 0.780 34 G HN 0.573 nan 8.290 nan 0.000 0.537 35 G N 0.533 109.309 108.800 -0.041 0.000 2.459 35 G HA2 -0.186 3.783 3.960 0.015 0.000 0.217 35 G HA3 -0.186 3.783 3.960 0.015 0.000 0.217 35 G C 1.804 176.662 174.900 -0.071 0.000 1.183 35 G CA 1.356 46.409 45.100 -0.079 0.000 0.776 35 G HN 0.309 nan 8.290 nan 0.000 0.552 36 V N 1.629 121.504 119.914 -0.065 0.000 2.261 36 V HA -0.147 3.982 4.120 0.015 0.000 0.246 36 V C 3.368 179.469 176.094 0.012 0.000 1.047 36 V CA 2.149 64.432 62.300 -0.029 0.000 1.015 36 V CB -0.995 30.828 31.823 0.001 0.000 0.642 36 V HN 0.498 nan 8.190 nan 0.000 0.446 37 A N -0.842 121.992 122.820 0.024 0.000 1.883 37 A HA -0.277 4.051 4.320 0.015 0.000 0.217 37 A C 2.561 180.163 177.584 0.029 0.000 1.186 37 A CA 2.527 54.578 52.037 0.023 0.000 0.624 37 A CB -0.887 18.124 19.000 0.018 0.000 0.822 37 A HN 0.479 nan 8.150 nan 0.000 0.444 38 S N -0.847 114.888 115.700 0.058 0.000 2.368 38 S HA 0.011 4.489 4.470 0.015 0.000 0.224 38 S C 2.210 176.937 174.600 0.210 0.000 1.029 38 S CA 1.461 59.747 58.200 0.142 0.000 0.988 38 S CB -0.488 62.828 63.200 0.193 0.000 0.838 38 S HN 0.811 nan 8.310 nan 0.000 0.462 39 A N 1.767 124.655 122.820 0.114 0.000 1.877 39 A HA -0.103 4.226 4.320 0.015 0.000 0.216 39 A C 2.196 179.810 177.584 0.049 0.000 1.186 39 A CA 1.556 53.641 52.037 0.079 0.000 0.620 39 A CB -0.643 18.322 19.000 -0.059 0.000 0.822 39 A HN 0.600 nan 8.150 nan 0.000 0.443 40 R N -1.303 119.202 120.500 0.007 0.000 2.081 40 R HA -0.136 4.213 4.340 0.015 0.000 0.235 40 R C 2.449 178.707 176.300 -0.070 0.000 1.131 40 R CA 1.584 57.665 56.100 -0.031 0.000 0.960 40 R CB -0.276 30.004 30.300 -0.033 0.000 0.856 40 R HN 0.414 nan 8.270 nan 0.000 0.436 41 R N 1.099 121.563 120.500 -0.060 0.000 2.075 41 R HA -0.022 4.327 4.340 0.015 0.000 0.232 41 R C 1.959 178.175 176.300 -0.140 0.000 1.126 41 R CA 1.806 57.813 56.100 -0.155 0.000 0.963 41 R CB -0.681 29.565 30.300 -0.089 0.000 0.858 41 R HN 0.241 nan 8.270 nan 0.000 0.435 42 A N 0.161 123.004 122.820 0.038 0.000 1.873 42 A HA 0.003 4.332 4.320 0.015 0.000 0.215 42 A C 2.346 179.885 177.584 -0.076 0.000 1.186 42 A CA 1.734 53.803 52.037 0.052 0.000 0.616 42 A CB -1.049 17.944 19.000 -0.011 0.000 0.823 42 A HN 0.448 nan 8.150 nan 0.000 0.442 43 A N 0.306 123.085 122.820 -0.068 0.000 1.972 43 A HA -0.067 4.262 4.320 0.015 0.000 0.219 43 A C 2.456 179.990 177.584 -0.084 0.000 1.169 43 A CA 2.151 54.145 52.037 -0.071 0.000 0.635 43 A CB -0.933 18.039 19.000 -0.047 0.000 0.810 43 A HN 1.043 nan 8.150 nan 0.000 0.446 44 S N -1.291 114.314 115.700 -0.159 0.000 2.419 44 S HA -0.183 4.296 4.470 0.015 0.000 0.233 44 S C 1.580 176.074 174.600 -0.176 0.000 1.016 44 S CA 1.303 59.369 58.200 -0.222 0.000 0.974 44 S CB -0.797 62.174 63.200 -0.382 0.000 0.786 44 S HN 0.663 nan 8.310 nan 0.000 0.492 45 Y N 2.027 122.315 120.300 -0.020 0.000 2.466 45 Y HA 0.366 4.925 4.550 0.016 0.000 0.272 45 Y C 1.395 177.287 175.900 -0.013 0.000 1.169 45 Y CA -0.181 57.921 58.100 0.004 0.000 1.285 45 Y CB -0.045 38.442 38.460 0.044 0.000 1.078 45 Y HN 0.486 nan 8.280 nan 0.000 0.523 46 G N 1.312 110.161 108.800 0.081 0.000 2.788 46 G HA2 0.078 4.046 3.960 0.015 0.000 0.249 46 G HA3 0.078 4.046 3.960 0.015 0.000 0.249 46 G C -0.697 174.189 174.900 -0.023 0.000 1.008 46 G CA -0.131 44.987 45.100 0.030 0.000 1.220 46 G HN 0.614 nan 8.290 nan 0.000 0.506 47 A N 2.551 125.315 122.820 -0.094 0.000 2.480 47 A HA 0.750 5.079 4.320 0.015 0.000 0.289 47 A C 0.034 177.558 177.584 -0.100 0.000 1.044 47 A CA -0.257 51.657 52.037 -0.206 0.000 0.761 47 A CB 1.161 19.782 19.000 -0.631 0.000 1.289 47 A HN 1.028 nan 8.150 nan 0.000 0.401 48 K N 1.965 122.348 120.400 -0.028 0.000 2.395 48 K HA 0.329 4.658 4.320 0.015 0.000 0.283 48 K C -0.668 176.055 176.600 0.205 0.000 1.068 48 K CA 0.749 57.076 56.287 0.066 0.000 1.039 48 K CB 0.131 32.624 32.500 -0.012 0.000 0.924 48 K HN 0.648 nan 8.250 nan 0.000 0.468 49 T N 4.858 119.533 114.554 0.202 0.000 2.841 49 T HA 0.356 4.715 4.350 0.015 0.000 0.283 49 T C -1.278 173.333 174.700 -0.149 0.000 1.000 49 T CA -0.742 61.400 62.100 0.070 0.000 0.977 49 T CB 1.187 70.062 68.868 0.011 0.000 0.979 49 T HN 0.434 nan 8.240 nan 0.000 0.446 50 L N 3.960 124.844 121.223 -0.566 0.000 2.341 50 L HA 0.814 5.162 4.340 0.015 0.000 0.278 50 L C -1.559 174.959 176.870 -0.587 0.000 1.005 50 L CA -0.911 53.412 54.840 -0.861 0.000 0.818 50 L CB 1.386 42.463 42.059 -1.636 0.000 1.259 50 L HN 0.575 nan 8.230 nan 0.000 0.418 51 L N 6.109 127.043 121.223 -0.482 0.000 2.333 51 L HA 0.734 5.083 4.340 0.015 0.000 0.280 51 L C -1.284 175.308 176.870 -0.465 0.000 1.004 51 L CA -0.310 54.276 54.840 -0.423 0.000 0.820 51 L CB 1.933 43.796 42.059 -0.327 0.000 1.247 51 L HN 0.420 nan 8.230 nan 0.000 0.416 52 V N 3.853 123.495 119.914 -0.452 0.000 2.409 52 V HA 0.640 4.769 4.120 0.015 0.000 0.291 52 V C -0.583 175.269 176.094 -0.403 0.000 1.020 52 V CA -0.578 61.458 62.300 -0.440 0.000 0.848 52 V CB 1.331 32.903 31.823 -0.418 0.000 0.990 52 V HN 0.776 nan 8.190 nan 0.000 0.430 53 E N 3.726 123.674 120.200 -0.420 0.000 2.224 53 E HA 0.724 5.083 4.350 0.015 0.000 0.265 53 E C 0.351 176.895 176.600 -0.094 0.000 0.878 53 E CA -0.134 56.087 56.400 -0.298 0.000 0.759 53 E CB 2.019 31.521 29.700 -0.331 0.000 1.164 53 E HN 0.611 nan 8.360 nan 0.000 0.414 54 A N 4.587 127.389 122.820 -0.029 0.000 2.072 54 A HA 0.108 4.436 4.320 0.015 0.000 0.216 54 A C 1.035 178.781 177.584 0.271 0.000 1.156 54 A CA 0.998 53.139 52.037 0.173 0.000 0.701 54 A CB 0.057 19.210 19.000 0.255 0.000 0.816 54 A HN 0.567 nan 8.150 nan 0.000 0.458 55 K N -1.816 118.719 120.400 0.224 0.000 3.248 55 K HA 0.601 4.930 4.320 0.015 0.000 0.255 55 K C -0.082 176.640 176.600 0.205 0.000 1.395 55 K CA 0.331 56.737 56.287 0.198 0.000 1.139 55 K CB 0.510 33.105 32.500 0.159 0.000 2.091 55 K HN 0.160 nan 8.250 nan 0.000 0.408 56 A N 1.481 124.379 122.820 0.130 0.000 2.371 56 A HA 0.564 4.893 4.320 0.015 0.000 0.311 56 A C -0.715 176.878 177.584 0.016 0.000 1.068 56 A CA -0.688 51.407 52.037 0.097 0.000 0.744 56 A CB 0.661 19.668 19.000 0.011 0.000 1.239 56 A HN 0.330 nan 8.150 nan 0.000 0.435 57 L N 1.567 122.798 121.223 0.013 0.000 2.483 57 L HA 0.387 4.735 4.340 0.015 0.000 0.276 57 L C 1.544 178.167 176.870 -0.412 0.000 1.213 57 L CA 1.484 56.217 54.840 -0.178 0.000 0.843 57 L CB 0.411 42.405 42.059 -0.109 0.000 1.107 57 L HN 1.347 nan 8.230 nan 0.000 0.487 58 G N 1.071 109.501 108.800 -0.617 0.000 2.213 58 G HA2 -0.072 3.897 3.960 0.015 0.000 0.226 58 G HA3 -0.072 3.897 3.960 0.015 0.000 0.226 58 G C 0.673 175.387 174.900 -0.311 0.000 0.992 58 G CA -0.093 44.588 45.100 -0.699 0.000 0.632 58 G HN 1.432 nan 8.290 nan 0.000 0.511 59 G N -0.755 107.921 108.800 -0.208 0.000 2.578 59 G HA2 -0.114 3.854 3.960 0.015 0.000 0.275 59 G HA3 -0.114 3.854 3.960 0.015 0.000 0.275 59 G C 1.084 175.947 174.900 -0.063 0.000 1.271 59 G CA 1.403 46.441 45.100 -0.103 0.000 0.941 59 G HN 1.328 nan 8.290 nan 0.000 0.564 60 T N -0.451 114.094 114.554 -0.014 0.000 2.684 60 T HA -0.238 4.121 4.350 0.015 0.000 0.267 60 T C 2.455 177.145 174.700 -0.018 0.000 1.036 60 T CA 2.594 64.702 62.100 0.012 0.000 1.148 60 T CB -0.722 68.179 68.868 0.056 0.000 0.863 60 T HN 0.946 nan 8.240 nan 0.000 0.436 61 c N 1.051 119.641 118.600 -0.016 0.000 2.413 61 c HA -0.084 4.495 4.570 0.015 0.000 0.278 61 c C 2.790 176.843 174.090 -0.061 0.000 1.224 61 c CA 0.877 57.198 56.329 -0.014 0.000 1.732 61 c CB -1.211 41.302 42.510 0.006 0.000 2.050 61 c HN 0.397 nan 8.230 nan 0.000 0.463 62 V N 1.852 121.712 119.914 -0.089 0.000 2.358 62 V HA -0.160 3.969 4.120 0.015 0.000 0.246 62 V C 2.284 178.287 176.094 -0.151 0.000 1.047 62 V CA 2.383 64.615 62.300 -0.113 0.000 1.035 62 V CB -0.692 31.041 31.823 -0.150 0.000 0.658 62 V HN 0.590 nan 8.190 nan 0.000 0.452 63 N N 0.147 118.759 118.700 -0.148 0.000 2.387 63 N HA 0.003 4.751 4.740 0.015 0.000 0.176 63 N C 1.046 176.405 175.510 -0.252 0.000 1.022 63 N CA 1.681 54.640 53.050 -0.151 0.000 0.883 63 N CB 0.864 39.304 38.487 -0.078 0.000 1.019 63 N HN 0.546 nan 8.380 nan 0.000 0.435 64 V N -3.303 116.459 119.914 -0.254 0.000 2.947 64 V HA 0.693 4.822 4.120 0.015 0.000 0.381 64 V C 0.292 176.259 176.094 -0.212 0.000 1.376 64 V CA -0.288 61.792 62.300 -0.367 0.000 1.292 64 V CB 0.569 32.415 31.823 0.039 0.000 1.295 64 V HN 0.142 nan 8.190 nan 0.000 0.617 65 G N -0.233 108.426 108.800 -0.234 0.000 3.198 65 G HA2 0.263 4.232 3.960 0.015 0.000 0.166 65 G HA3 0.263 4.232 3.960 0.015 0.000 0.166 65 G C 0.870 175.782 174.900 0.020 0.000 1.134 65 G CA 0.598 45.701 45.100 0.006 0.000 0.941 65 G HN 0.288 nan 8.290 nan 0.000 0.639 66 c N 0.064 118.700 118.600 0.059 0.000 2.363 66 c HA -0.093 4.486 4.570 0.015 0.000 0.274 66 c C 2.825 176.928 174.090 0.021 0.000 1.183 66 c CA 1.070 57.436 56.329 0.062 0.000 1.771 66 c CB -1.581 40.966 42.510 0.062 0.000 2.059 66 c HN 0.282 nan 8.230 nan 0.000 0.455 67 V N 2.857 122.772 119.914 0.000 0.000 2.221 67 V HA -0.127 4.002 4.120 0.015 0.000 0.242 67 V C 0.315 176.446 176.094 0.062 0.000 1.041 67 V CA 2.672 64.994 62.300 0.037 0.000 0.995 67 V CB -1.985 29.842 31.823 0.008 0.000 0.635 67 V HN 0.355 nan 8.190 nan 0.000 0.448 68 P HA -0.195 nan 4.420 nan 0.000 0.218 68 P C 1.407 178.900 177.300 0.322 0.000 1.149 68 P CA 1.787 64.911 63.100 0.040 0.000 0.817 68 P CB -0.076 31.416 31.700 -0.346 0.000 0.785 69 K N 1.218 121.814 120.400 0.326 0.000 2.057 69 K HA -0.167 4.162 4.320 0.015 0.000 0.207 69 K C 2.192 178.902 176.600 0.183 0.000 1.049 69 K CA 1.762 58.290 56.287 0.402 0.000 0.931 69 K CB -0.806 31.895 32.500 0.335 0.000 0.714 69 K HN -0.079 nan 8.250 nan 0.000 0.440 70 K N 0.775 121.188 120.400 0.022 0.000 2.155 70 K HA 0.028 4.357 4.320 0.015 0.000 0.203 70 K C 1.739 178.324 176.600 -0.024 0.000 1.052 70 K CA 1.041 57.200 56.287 -0.214 0.000 0.948 70 K CB -0.117 32.131 32.500 -0.419 0.000 0.728 70 K HN 0.092 nan 8.250 nan 0.000 0.448 71 V N 0.920 120.951 119.914 0.195 0.000 2.295 71 V HA -0.266 3.863 4.120 0.015 0.000 0.246 71 V C 2.337 178.683 176.094 0.419 0.000 1.049 71 V CA 1.662 64.183 62.300 0.368 0.000 1.024 71 V CB -0.449 31.554 31.823 0.301 0.000 0.648 71 V HN 0.362 nan 8.190 nan 0.000 0.447 72 M N -1.506 118.315 119.600 0.369 0.000 2.159 72 M HA -0.202 4.287 4.480 0.015 0.000 0.263 72 M C 2.003 178.375 176.300 0.121 0.000 1.063 72 M CA 1.659 57.126 55.300 0.278 0.000 1.110 72 M CB -1.312 31.464 32.600 0.293 0.000 1.374 72 M HN 0.625 nan 8.290 nan 0.000 0.411 73 W N 0.389 121.655 121.300 -0.057 0.000 2.338 73 W HA -0.254 4.415 4.660 0.014 0.000 0.304 73 W C 2.077 178.524 176.519 -0.120 0.000 1.212 73 W CA 1.719 58.980 57.345 -0.141 0.000 1.264 73 W CB -0.796 28.496 29.460 -0.279 0.000 1.142 73 W HN 0.224 nan 8.180 nan 0.000 0.512 74 Y N -0.112 120.256 120.300 0.112 0.000 2.224 74 Y HA -0.260 4.298 4.550 0.014 0.000 0.289 74 Y C 2.623 178.371 175.900 -0.252 0.000 1.146 74 Y CA 1.351 59.407 58.100 -0.074 0.000 1.182 74 Y CB -0.930 37.585 38.460 0.092 0.000 0.983 74 Y HN 0.045 nan 8.280 nan 0.000 0.524 75 A N 0.060 122.815 122.820 -0.108 0.000 1.858 75 A HA -0.236 4.093 4.320 0.015 0.000 0.216 75 A C 2.387 179.704 177.584 -0.444 0.000 1.190 75 A CA 2.091 53.905 52.037 -0.372 0.000 0.617 75 A CB -1.157 17.434 19.000 -0.682 0.000 0.827 75 A HN 0.492 nan 8.150 nan 0.000 0.443 76 S N 0.043 115.466 115.700 -0.463 0.000 2.382 76 S HA -0.216 4.262 4.470 0.015 0.000 0.228 76 S C 1.628 175.943 174.600 -0.475 0.000 1.027 76 S CA 1.664 59.585 58.200 -0.464 0.000 0.991 76 S CB -0.648 62.314 63.200 -0.397 0.000 0.823 76 S HN 0.613 nan 8.310 nan 0.000 0.469 77 D N 1.282 121.328 120.400 -0.591 0.000 2.097 77 D HA -0.053 4.595 4.640 0.015 0.000 0.195 77 D C 1.930 178.035 176.300 -0.325 0.000 0.989 77 D CA 1.129 54.794 54.000 -0.559 0.000 0.827 77 D CB -0.339 39.929 40.800 -0.886 0.000 0.966 77 D HN 0.365 nan 8.370 nan 0.000 0.456 78 L N -0.137 120.920 121.223 -0.275 0.000 2.093 78 L HA -0.106 4.243 4.340 0.015 0.000 0.208 78 L C 2.343 179.087 176.870 -0.210 0.000 1.085 78 L CA 1.204 55.925 54.840 -0.199 0.000 0.755 78 L CB -0.428 41.533 42.059 -0.163 0.000 0.904 78 L HN 0.148 nan 8.230 nan 0.000 0.435 79 A N -0.685 121.984 122.820 -0.252 0.000 1.883 79 A HA -0.243 4.086 4.320 0.015 0.000 0.217 79 A C 2.224 179.669 177.584 -0.232 0.000 1.186 79 A CA 2.487 54.385 52.037 -0.231 0.000 0.624 79 A CB -0.999 17.837 19.000 -0.273 0.000 0.822 79 A HN 0.444 nan 8.150 nan 0.000 0.444 80 T N -0.654 113.741 114.554 -0.266 0.000 2.708 80 T HA -0.136 4.223 4.350 0.015 0.000 0.266 80 T C 2.084 176.506 174.700 -0.463 0.000 1.037 80 T CA 1.587 63.522 62.100 -0.275 0.000 1.146 80 T CB -0.228 68.529 68.868 -0.184 0.000 0.865 80 T HN 0.501 nan 8.240 nan 0.000 0.435 81 R N 0.308 120.613 120.500 -0.325 0.000 2.091 81 R HA -0.064 4.285 4.340 0.015 0.000 0.238 81 R C 2.475 178.648 176.300 -0.211 0.000 1.136 81 R CA 1.044 56.987 56.100 -0.262 0.000 0.959 81 R CB -0.706 29.534 30.300 -0.100 0.000 0.856 81 R HN 0.219 nan 8.270 nan 0.000 0.437 82 V N 0.981 120.792 119.914 -0.172 0.000 2.469 82 V HA -0.246 3.882 4.120 0.015 0.000 0.251 82 V C 2.137 178.183 176.094 -0.081 0.000 1.064 82 V CA 2.092 64.325 62.300 -0.110 0.000 1.066 82 V CB -0.478 31.272 31.823 -0.121 0.000 0.667 82 V HN 0.491 nan 8.190 nan 0.000 0.461 83 S N -1.088 114.526 115.700 -0.143 0.000 2.603 83 S HA -0.134 4.345 4.470 0.015 0.000 0.229 83 S C 1.365 176.023 174.600 0.097 0.000 0.972 83 S CA 1.105 59.275 58.200 -0.050 0.000 0.935 83 S CB -0.699 62.464 63.200 -0.062 0.000 0.769 83 S HN 0.832 nan 8.310 nan 0.000 0.536 84 H N -0.547 118.590 119.070 0.112 0.000 2.705 84 H HA 0.494 5.058 4.556 0.015 0.000 0.269 84 H C 2.282 177.723 175.328 0.188 0.000 0.998 84 H CA 0.071 56.212 56.048 0.155 0.000 1.193 84 H CB 0.276 30.160 29.762 0.204 0.000 1.485 84 H HN 0.512 nan 8.280 nan 0.000 0.521 85 A N 1.661 124.620 122.820 0.233 0.000 1.877 85 A HA -0.239 4.089 4.320 0.015 0.000 0.216 85 A C 1.881 179.594 177.584 0.215 0.000 1.186 85 A CA 1.893 54.059 52.037 0.216 0.000 0.620 85 A CB -0.660 18.431 19.000 0.152 0.000 0.822 85 A HN 0.468 nan 8.150 nan 0.000 0.443 86 N N -0.504 118.291 118.700 0.158 0.000 2.061 86 N HA -0.210 4.539 4.740 0.015 0.000 0.193 86 N C 1.780 177.348 175.510 0.097 0.000 1.030 86 N CA 1.575 54.694 53.050 0.116 0.000 0.856 86 N CB -0.248 38.286 38.487 0.078 0.000 1.023 86 N HN 0.627 nan 8.380 nan 0.000 0.424 87 E N -0.084 120.173 120.200 0.095 0.000 2.118 87 E HA -0.183 4.176 4.350 0.015 0.000 0.195 87 E C 0.792 177.366 176.600 -0.044 0.000 0.992 87 E CA 0.936 57.344 56.400 0.015 0.000 0.804 87 E CB -0.041 29.657 29.700 -0.004 0.000 0.741 87 E HN 0.472 nan 8.360 nan 0.000 0.458 88 Y N -0.247 120.057 120.300 0.006 0.000 2.477 88 Y HA 0.085 4.644 4.550 0.015 0.000 0.303 88 Y C 1.378 177.285 175.900 0.011 0.000 1.202 88 Y CA 0.686 58.784 58.100 -0.003 0.000 1.282 88 Y CB 0.513 38.982 38.460 0.016 0.000 1.071 88 Y HN 0.133 nan 8.280 nan 0.000 0.510 89 G N 0.261 109.124 108.800 0.105 0.000 2.148 89 G HA2 -0.289 3.680 3.960 0.015 0.000 0.254 89 G HA3 -0.289 3.680 3.960 0.015 0.000 0.254 89 G C -0.132 174.808 174.900 0.067 0.000 0.981 89 G CA 0.145 45.283 45.100 0.063 0.000 0.670 89 G HN 0.272 nan 8.290 nan 0.000 0.528 90 L N -1.227 120.068 121.223 0.119 0.000 2.325 90 L HA 0.620 4.969 4.340 0.015 0.000 0.278 90 L C 0.962 177.949 176.870 0.195 0.000 1.023 90 L CA -1.419 53.489 54.840 0.113 0.000 0.811 90 L CB 0.948 43.137 42.059 0.217 0.000 1.249 90 L HN 0.198 nan 8.230 nan 0.000 0.431 91 Y N 1.150 121.460 120.300 0.016 0.000 3.168 91 Y HA -0.280 4.279 4.550 0.015 0.000 0.207 91 Y C 1.436 177.334 175.900 -0.003 0.000 1.280 91 Y CA 0.424 58.526 58.100 0.003 0.000 1.235 91 Y CB -1.678 36.781 38.460 -0.001 0.000 1.370 91 Y HN 0.647 nan 8.280 nan 0.000 0.537 92 Q N -0.187 119.663 119.800 0.084 0.000 2.436 92 Q HA -0.110 4.239 4.340 0.015 0.000 0.209 92 Q C 1.382 177.403 176.000 0.035 0.000 0.965 92 Q CA 0.858 56.693 55.803 0.054 0.000 0.910 92 Q CB -0.012 28.742 28.738 0.027 0.000 0.980 92 Q HN 0.600 nan 8.270 nan 0.000 0.491 93 N N -0.187 118.538 118.700 0.042 0.000 2.467 93 N HA 0.000 4.749 4.740 0.015 0.000 0.184 93 N C -0.391 175.129 175.510 0.017 0.000 1.106 93 N CA 0.493 53.558 53.050 0.025 0.000 0.892 93 N CB 0.386 38.888 38.487 0.025 0.000 0.969 93 N HN 0.088 nan 8.380 nan 0.000 0.454 94 L N 1.971 123.214 121.223 0.033 0.000 2.317 94 L HA 0.387 4.736 4.340 0.015 0.000 0.281 94 L C -2.044 174.777 176.870 -0.081 0.000 1.024 94 L CA -2.414 52.416 54.840 -0.017 0.000 0.810 94 L CB 1.400 43.469 42.059 0.017 0.000 1.240 94 L HN -0.127 nan 8.230 nan 0.000 0.427 95 P HA 0.174 nan 4.420 nan 0.000 0.247 95 P C -0.515 176.629 177.300 -0.261 0.000 1.756 95 P CA -0.106 62.787 63.100 -0.344 0.000 1.117 95 P CB -0.071 31.123 31.700 -0.844 0.000 1.869 96 L N 3.768 124.930 121.223 -0.102 0.000 2.466 96 L HA 0.218 4.567 4.340 0.015 0.000 0.248 96 L C 0.384 177.251 176.870 -0.005 0.000 1.240 96 L CA -0.158 54.651 54.840 -0.050 0.000 1.180 96 L CB -0.483 41.553 42.059 -0.038 0.000 1.413 96 L HN 0.301 nan 8.230 nan 0.000 0.406 97 D N -1.772 118.645 120.400 0.028 0.000 2.533 97 D HA 0.182 4.831 4.640 0.015 0.000 0.247 97 D C 0.747 177.093 176.300 0.077 0.000 1.056 97 D CA -0.996 53.045 54.000 0.068 0.000 1.054 97 D CB 1.129 41.988 40.800 0.098 0.000 1.400 97 D HN -0.116 nan 8.370 nan 0.000 0.533 98 K N -0.542 119.888 120.400 0.050 0.000 2.103 98 K HA -0.239 4.090 4.320 0.015 0.000 0.207 98 K C 1.202 177.812 176.600 0.016 0.000 1.048 98 K CA 1.587 57.881 56.287 0.012 0.000 0.930 98 K CB -0.013 32.486 32.500 -0.002 0.000 0.716 98 K HN 0.403 nan 8.250 nan 0.000 0.444 99 E N -0.484 119.746 120.200 0.050 0.000 2.153 99 E HA -0.156 4.202 4.350 0.015 0.000 0.194 99 E C 1.295 177.818 176.600 -0.128 0.000 0.988 99 E CA 1.413 57.796 56.400 -0.029 0.000 0.811 99 E CB -0.039 29.648 29.700 -0.021 0.000 0.746 99 E HN 0.494 nan 8.360 nan 0.000 0.466 100 H N -1.031 118.031 119.070 -0.014 0.000 2.551 100 H HA 0.197 4.762 4.556 0.015 0.000 0.271 100 H C -0.227 175.091 175.328 -0.016 0.000 0.984 100 H CA -0.497 55.543 56.048 -0.013 0.000 1.164 100 H CB 0.138 29.894 29.762 -0.011 0.000 1.437 100 H HN 0.018 nan 8.280 nan 0.000 0.550 101 L N 2.764 124.025 121.223 0.063 0.000 2.559 101 L HA 0.116 4.465 4.340 0.015 0.000 0.274 101 L C 0.316 177.208 176.870 0.036 0.000 1.205 101 L CA 0.496 55.352 54.840 0.027 0.000 0.907 101 L CB 0.054 42.103 42.059 -0.016 0.000 1.153 101 L HN 0.292 nan 8.230 nan 0.000 0.490 102 T N 2.438 117.026 114.554 0.057 0.000 2.909 102 T HA 0.620 4.979 4.350 0.015 0.000 0.299 102 T C -0.863 173.934 174.700 0.162 0.000 1.073 102 T CA -0.617 61.534 62.100 0.085 0.000 0.999 102 T CB 1.286 70.184 68.868 0.051 0.000 1.098 102 T HN 0.451 nan 8.240 nan 0.000 0.477 103 F N 2.744 122.698 119.950 0.008 0.000 2.562 103 F HA 0.531 5.067 4.527 0.015 0.000 0.319 103 F C -0.549 175.296 175.800 0.075 0.000 1.154 103 F CA -1.369 56.636 58.000 0.009 0.000 0.931 103 F CB 1.890 40.902 39.000 0.021 0.000 1.198 103 F HN 0.674 nan 8.300 nan 0.000 0.444 104 N N 6.707 125.087 118.700 -0.532 0.000 2.895 104 N HA -0.054 4.695 4.740 0.015 0.000 0.277 104 N C 1.064 176.198 175.510 -0.626 0.000 1.185 104 N CA -0.043 52.769 53.050 -0.397 0.000 1.106 104 N CB -0.167 38.191 38.487 -0.214 0.000 1.422 104 N HN 0.904 nan 8.380 nan 0.000 0.521 105 W N 4.242 125.122 121.300 -0.699 0.000 2.333 105 W HA -0.095 4.574 4.660 0.015 0.000 0.316 105 W C -1.280 175.146 176.519 -0.155 0.000 1.215 105 W CA 1.520 58.610 57.345 -0.426 0.000 1.278 105 W CB -1.309 28.135 29.460 -0.027 0.000 1.154 105 W HN 0.412 nan 8.180 nan 0.000 0.486 106 P HA -0.238 nan 4.420 nan 0.000 0.214 106 P C 1.601 178.915 177.300 0.024 0.000 1.163 106 P CA 2.742 65.928 63.100 0.143 0.000 0.889 106 P CB -0.446 31.309 31.700 0.091 0.000 0.790 107 E N -1.601 118.586 120.200 -0.023 0.000 2.077 107 E HA -0.207 4.152 4.350 0.015 0.000 0.193 107 E C 1.826 178.407 176.600 -0.032 0.000 0.989 107 E CA 0.842 57.224 56.400 -0.031 0.000 0.800 107 E CB -0.494 29.186 29.700 -0.033 0.000 0.746 107 E HN 0.087 nan 8.360 nan 0.000 0.452 108 F N 1.756 121.567 119.950 -0.232 0.000 2.259 108 F HA -0.086 4.451 4.527 0.017 0.000 0.298 108 F C 2.221 177.928 175.800 -0.155 0.000 1.088 108 F CA 1.132 59.013 58.000 -0.198 0.000 1.358 108 F CB -0.048 38.794 39.000 -0.264 0.000 1.040 108 F HN -0.125 nan 8.300 nan 0.000 0.505 109 K N 0.134 120.431 120.400 -0.171 0.000 2.063 109 K HA -0.203 4.126 4.320 0.015 0.000 0.208 109 K C 1.935 178.451 176.600 -0.140 0.000 1.048 109 K CA 1.497 57.681 56.287 -0.173 0.000 0.928 109 K CB -0.250 32.215 32.500 -0.058 0.000 0.713 109 K HN 0.255 nan 8.250 nan 0.000 0.442 110 Q N 0.968 120.707 119.800 -0.102 0.000 2.050 110 Q HA -0.100 4.249 4.340 0.015 0.000 0.202 110 Q C 2.013 177.944 176.000 -0.114 0.000 0.980 110 Q CA 1.445 57.200 55.803 -0.080 0.000 0.840 110 Q CB -0.226 28.480 28.738 -0.053 0.000 0.898 110 Q HN 0.329 nan 8.270 nan 0.000 0.424 111 K N 0.190 120.482 120.400 -0.180 0.000 2.097 111 K HA -0.117 4.212 4.320 0.015 0.000 0.206 111 K C 2.162 178.635 176.600 -0.211 0.000 1.049 111 K CA 0.908 57.076 56.287 -0.198 0.000 0.933 111 K CB -0.132 32.213 32.500 -0.257 0.000 0.717 111 K HN 0.117 nan 8.250 nan 0.000 0.442 112 R N 1.268 121.563 120.500 -0.342 0.000 2.075 112 R HA -0.141 4.208 4.340 0.015 0.000 0.232 112 R C 1.453 177.732 176.300 -0.034 0.000 1.126 112 R CA 1.742 57.711 56.100 -0.218 0.000 0.963 112 R CB 0.005 30.135 30.300 -0.283 0.000 0.858 112 R HN 0.121 nan 8.270 nan 0.000 0.435 113 D N 0.238 120.611 120.400 -0.044 0.000 2.144 113 D HA -0.100 4.549 4.640 0.015 0.000 0.200 113 D C 1.703 178.024 176.300 0.035 0.000 0.978 113 D CA 1.332 55.334 54.000 0.004 0.000 0.833 113 D CB -0.225 40.576 40.800 0.001 0.000 0.961 113 D HN 0.347 nan 8.370 nan 0.000 0.470 114 A N 0.408 123.236 122.820 0.014 0.000 1.877 114 A HA -0.241 4.088 4.320 0.015 0.000 0.216 114 A C 2.205 179.863 177.584 0.123 0.000 1.186 114 A CA 1.306 53.366 52.037 0.038 0.000 0.620 114 A CB -1.064 17.937 19.000 0.002 0.000 0.822 114 A HN 0.298 nan 8.150 nan 0.000 0.443 115 Y N 0.730 121.018 120.300 -0.020 0.000 2.145 115 Y HA -0.173 4.386 4.550 0.015 0.000 0.286 115 Y C 2.398 178.313 175.900 0.025 0.000 1.145 115 Y CA 1.669 59.767 58.100 -0.004 0.000 1.148 115 Y CB -0.651 37.790 38.460 -0.031 0.000 0.981 115 Y HN 0.058 nan 8.280 nan 0.000 0.507 116 V N 0.402 120.260 119.914 -0.092 0.000 2.295 116 V HA -0.330 3.799 4.120 0.015 0.000 0.246 116 V C 2.577 178.622 176.094 -0.081 0.000 1.049 116 V CA 2.365 64.561 62.300 -0.174 0.000 1.024 116 V CB -0.976 30.790 31.823 -0.095 0.000 0.648 116 V HN 0.569 nan 8.190 nan 0.000 0.447 117 H N 0.588 119.614 119.070 -0.073 0.000 2.352 117 H HA -0.203 4.358 4.556 0.009 0.000 0.299 117 H C 2.539 177.847 175.328 -0.034 0.000 1.097 117 H CA 2.344 58.367 56.048 -0.042 0.000 1.311 117 H CB 0.080 29.827 29.762 -0.024 0.000 1.377 117 H HN 0.295 nan 8.280 nan 0.000 0.504 118 R N 0.158 120.716 120.500 0.096 0.000 2.081 118 R HA -0.076 4.273 4.340 0.015 0.000 0.235 118 R C 2.807 179.080 176.300 -0.044 0.000 1.131 118 R CA 1.213 57.344 56.100 0.050 0.000 0.960 118 R CB -0.121 30.234 30.300 0.092 0.000 0.856 118 R HN 0.308 nan 8.270 nan 0.000 0.436 119 L N 0.154 121.302 121.223 -0.125 0.000 2.093 119 L HA -0.144 4.205 4.340 0.015 0.000 0.208 119 L C 1.835 178.762 176.870 0.096 0.000 1.085 119 L CA 1.545 56.340 54.840 -0.075 0.000 0.755 119 L CB -0.558 41.406 42.059 -0.159 0.000 0.904 119 L HN 0.367 nan 8.230 nan 0.000 0.435 120 N N -0.012 118.684 118.700 -0.005 0.000 2.061 120 N HA -0.186 4.563 4.740 0.015 0.000 0.193 120 N C 1.914 177.433 175.510 0.015 0.000 1.030 120 N CA 1.172 54.215 53.050 -0.010 0.000 0.856 120 N CB -0.379 38.007 38.487 -0.168 0.000 1.023 120 N HN 0.373 nan 8.380 nan 0.000 0.424 121 G N 1.541 110.296 108.800 -0.076 0.000 2.446 121 G HA2 -0.216 3.753 3.960 0.015 0.000 0.217 121 G HA3 -0.216 3.753 3.960 0.015 0.000 0.217 121 G C 1.486 176.386 174.900 -0.000 0.000 1.168 121 G CA 0.590 45.663 45.100 -0.045 0.000 0.771 121 G HN 0.207 nan 8.290 nan 0.000 0.551 122 I N -0.713 119.847 120.570 -0.016 0.000 2.208 122 I HA -0.215 3.964 4.170 0.015 0.000 0.245 122 I C 2.503 178.568 176.117 -0.087 0.000 1.097 122 I CA 1.081 62.339 61.300 -0.069 0.000 1.363 122 I CB -0.293 37.628 38.000 -0.132 0.000 1.051 122 I HN 0.129 nan 8.210 nan 0.000 0.413 123 Y N 0.716 120.985 120.300 -0.051 0.000 2.145 123 Y HA -0.285 4.271 4.550 0.011 0.000 0.286 123 Y C 2.827 178.707 175.900 -0.033 0.000 1.145 123 Y CA 1.683 59.755 58.100 -0.046 0.000 1.148 123 Y CB -0.497 37.932 38.460 -0.052 0.000 0.981 123 Y HN 0.152 nan 8.280 nan 0.000 0.507 124 Q N 0.218 120.107 119.800 0.149 0.000 2.096 124 Q HA -0.259 4.090 4.340 0.015 0.000 0.204 124 Q C 2.322 178.352 176.000 0.051 0.000 0.982 124 Q CA 1.702 57.565 55.803 0.099 0.000 0.850 124 Q CB -0.088 28.716 28.738 0.111 0.000 0.901 124 Q HN 0.381 nan 8.270 nan 0.000 0.422 125 K N 0.276 120.692 120.400 0.027 0.000 2.002 125 K HA -0.169 4.160 4.320 0.015 0.000 0.209 125 K C 1.601 178.194 176.600 -0.011 0.000 1.048 125 K CA 1.742 58.031 56.287 0.003 0.000 0.930 125 K CB -0.094 32.399 32.500 -0.012 0.000 0.714 125 K HN 0.290 nan 8.250 nan 0.000 0.438 126 N N 0.556 119.238 118.700 -0.030 0.000 2.036 126 N HA -0.203 4.546 4.740 0.015 0.000 0.195 126 N C 2.026 177.522 175.510 -0.023 0.000 1.037 126 N CA 1.469 54.492 53.050 -0.045 0.000 0.855 126 N CB -0.190 38.245 38.487 -0.087 0.000 1.033 126 N HN 0.097 nan 8.380 nan 0.000 0.423 127 L N 1.288 122.509 121.223 -0.003 0.000 2.012 127 L HA -0.212 4.137 4.340 0.015 0.000 0.210 127 L C 2.583 179.445 176.870 -0.014 0.000 1.073 127 L CA 1.371 56.205 54.840 -0.009 0.000 0.748 127 L CB -0.626 41.428 42.059 -0.008 0.000 0.891 127 L HN 0.380 nan 8.230 nan 0.000 0.431 128 E N 0.183 120.381 120.200 -0.003 0.000 2.268 128 E HA -0.266 4.093 4.350 0.015 0.000 0.195 128 E C 1.954 178.553 176.600 -0.002 0.000 0.995 128 E CA 0.965 57.366 56.400 0.001 0.000 0.836 128 E CB -0.131 29.577 29.700 0.014 0.000 0.763 128 E HN 0.273 nan 8.360 nan 0.000 0.491 129 K N 1.419 121.814 120.400 -0.009 0.000 2.228 129 K HA -0.056 4.273 4.320 0.015 0.000 0.202 129 K C 1.254 177.843 176.600 -0.019 0.000 1.051 129 K CA 0.997 57.276 56.287 -0.013 0.000 0.960 129 K CB 0.285 32.774 32.500 -0.019 0.000 0.743 129 K HN 0.102 nan 8.250 nan 0.000 0.458 130 E N 0.448 120.634 120.200 -0.024 0.000 2.437 130 E HA 0.048 4.407 4.350 0.015 0.000 0.189 130 E C -0.578 176.007 176.600 -0.025 0.000 1.054 130 E CA -0.067 56.314 56.400 -0.031 0.000 0.874 130 E CB 0.485 30.160 29.700 -0.042 0.000 1.011 130 E HN 0.074 nan 8.360 nan 0.000 0.474 131 K N -0.751 119.640 120.400 -0.014 0.000 3.192 131 K HA -0.139 4.190 4.320 0.015 0.000 0.278 131 K C -0.756 175.843 176.600 -0.001 0.000 1.164 131 K CA 0.328 56.613 56.287 -0.004 0.000 0.816 131 K CB -2.706 29.793 32.500 -0.003 0.000 1.256 131 K HN 0.041 nan 8.250 nan 0.000 0.497 132 V N 1.753 121.657 119.914 -0.016 0.000 2.407 132 V HA 0.143 4.272 4.120 0.015 0.000 0.278 132 V C 0.603 176.674 176.094 -0.039 0.000 1.037 132 V CA -0.667 61.612 62.300 -0.034 0.000 0.900 132 V CB 1.528 33.313 31.823 -0.063 0.000 0.983 132 V HN 0.094 nan 8.190 nan 0.000 0.459 133 D N 3.534 123.918 120.400 -0.027 0.000 2.390 133 D HA 0.317 4.966 4.640 0.015 0.000 0.249 133 D C -0.283 175.917 176.300 -0.166 0.000 1.144 133 D CA 0.228 54.203 54.000 -0.041 0.000 0.880 133 D CB 1.643 42.475 40.800 0.053 0.000 1.182 133 D HN 0.251 nan 8.370 nan 0.000 0.451 134 V N 2.939 122.762 119.914 -0.151 0.000 2.448 134 V HA 0.423 4.552 4.120 0.015 0.000 0.295 134 V C 0.041 175.976 176.094 -0.265 0.000 1.025 134 V CA -0.739 61.402 62.300 -0.265 0.000 0.859 134 V CB 2.017 33.694 31.823 -0.245 0.000 0.988 134 V HN 0.230 nan 8.190 nan 0.000 0.431 135 V N 5.011 124.693 119.914 -0.387 0.000 2.588 135 V HA 0.525 4.653 4.120 0.015 0.000 0.304 135 V C -0.830 175.040 176.094 -0.374 0.000 1.042 135 V CA -0.602 61.543 62.300 -0.258 0.000 0.877 135 V CB 1.949 33.652 31.823 -0.200 0.000 0.996 135 V HN 0.673 nan 8.190 nan 0.000 0.425 136 F N 2.899 122.821 119.950 -0.047 0.000 2.411 136 F HA 0.824 5.358 4.527 0.011 0.000 0.350 136 F C 0.917 176.721 175.800 0.007 0.000 1.114 136 F CA 0.351 58.334 58.000 -0.028 0.000 1.135 136 F CB 1.724 40.719 39.000 -0.007 0.000 1.120 136 F HN 0.728 nan 8.300 nan 0.000 0.495 137 G N 2.282 111.174 108.800 0.153 0.000 2.321 137 G HA2 0.034 4.003 3.960 0.015 0.000 0.298 137 G HA3 0.034 4.003 3.960 0.015 0.000 0.298 137 G C -2.359 172.629 174.900 0.147 0.000 1.385 137 G CA -1.174 44.026 45.100 0.166 0.000 0.856 137 G HN 0.575 nan 8.290 nan 0.000 0.584 138 W N 1.551 122.856 121.300 0.008 0.000 2.335 138 W HA 0.601 5.268 4.660 0.013 0.000 0.306 138 W C 0.231 176.723 176.519 -0.046 0.000 1.216 138 W CA 0.067 57.403 57.345 -0.015 0.000 1.237 138 W CB 1.315 30.781 29.460 0.010 0.000 1.243 138 W HN 0.813 nan 8.180 nan 0.000 0.493 139 A N 6.506 129.083 122.820 -0.405 0.000 2.306 139 A HA 0.743 5.072 4.320 0.015 0.000 0.314 139 A C -0.771 176.628 177.584 -0.309 0.000 1.164 139 A CA -0.629 51.220 52.037 -0.314 0.000 0.822 139 A CB 1.268 20.021 19.000 -0.410 0.000 1.130 139 A HN 0.769 nan 8.150 nan 0.000 0.496 140 R N 1.603 121.989 120.500 -0.190 0.000 2.604 140 R HA 0.512 4.861 4.340 0.015 0.000 0.270 140 R C -1.921 174.301 176.300 -0.130 0.000 1.052 140 R CA -0.644 55.395 56.100 -0.102 0.000 0.902 140 R CB 0.987 31.348 30.300 0.102 0.000 1.233 140 R HN 0.548 nan 8.270 nan 0.000 0.455 141 F N 3.208 123.170 119.950 0.021 0.000 2.443 141 F HA 0.224 4.761 4.527 0.017 0.000 0.353 141 F C 1.114 176.936 175.800 0.036 0.000 1.101 141 F CA 0.188 58.202 58.000 0.023 0.000 1.226 141 F CB 0.784 39.791 39.000 0.011 0.000 1.140 141 F HN 0.519 nan 8.300 nan 0.000 0.557 142 N N 2.271 121.104 118.700 0.223 0.000 2.478 142 N HA 0.291 5.040 4.740 0.015 0.000 0.275 142 N C 0.253 175.842 175.510 0.131 0.000 1.221 142 N CA -0.869 52.267 53.050 0.145 0.000 0.979 142 N CB 1.320 39.868 38.487 0.102 0.000 1.202 142 N HN 0.488 nan 8.380 nan 0.000 0.564 143 K N -0.373 120.079 120.400 0.086 0.000 2.209 143 K HA -0.108 4.221 4.320 0.015 0.000 0.204 143 K C 0.473 177.105 176.600 0.054 0.000 1.048 143 K CA 1.288 57.610 56.287 0.059 0.000 0.940 143 K CB -0.142 32.384 32.500 0.043 0.000 0.729 143 K HN 0.511 nan 8.250 nan 0.000 0.451 144 D N -0.230 120.209 120.400 0.064 0.000 2.350 144 D HA -0.067 4.582 4.640 0.015 0.000 0.216 144 D C 1.266 177.610 176.300 0.074 0.000 0.968 144 D CA 1.267 55.303 54.000 0.060 0.000 0.894 144 D CB 0.192 41.029 40.800 0.061 0.000 0.909 144 D HN 0.467 nan 8.370 nan 0.000 0.520 145 G N 0.587 109.449 108.800 0.103 0.000 2.157 145 G HA2 -0.264 3.705 3.960 0.015 0.000 0.239 145 G HA3 -0.264 3.705 3.960 0.015 0.000 0.239 145 G C 0.197 175.226 174.900 0.215 0.000 0.982 145 G CA -0.059 45.117 45.100 0.126 0.000 0.650 145 G HN 0.388 nan 8.290 nan 0.000 0.527 146 N N -1.163 117.651 118.700 0.190 0.000 2.448 146 N HA 0.580 5.329 4.740 0.015 0.000 0.274 146 N C -0.430 175.179 175.510 0.165 0.000 1.239 146 N CA -0.455 52.703 53.050 0.180 0.000 0.982 146 N CB 1.567 40.135 38.487 0.134 0.000 1.199 146 N HN 0.017 nan 8.380 nan 0.000 0.576 147 V N 1.194 121.161 119.914 0.088 0.000 2.326 147 V HA 0.154 4.282 4.120 0.015 0.000 0.281 147 V C -0.395 175.732 176.094 0.055 0.000 1.015 147 V CA -0.595 61.681 62.300 -0.040 0.000 0.823 147 V CB 0.679 32.390 31.823 -0.185 0.000 1.009 147 V HN 0.678 nan 8.190 nan 0.000 0.436 148 E N 4.484 124.708 120.200 0.040 0.000 2.216 148 E HA 0.660 5.019 4.350 0.015 0.000 0.279 148 E C -1.218 175.426 176.600 0.073 0.000 0.997 148 E CA -0.739 55.705 56.400 0.073 0.000 0.817 148 E CB 2.187 31.922 29.700 0.058 0.000 1.096 148 E HN 0.310 nan 8.360 nan 0.000 0.393 149 V N 3.536 123.526 119.914 0.128 0.000 2.378 149 V HA 0.119 4.248 4.120 0.015 0.000 0.288 149 V C -0.210 175.964 176.094 0.134 0.000 1.016 149 V CA -0.777 61.595 62.300 0.119 0.000 0.840 149 V CB 1.248 33.159 31.823 0.145 0.000 0.994 149 V HN 0.699 nan 8.190 nan 0.000 0.431 150 Q N 4.617 124.505 119.800 0.147 0.000 2.295 150 Q HA 0.384 4.733 4.340 0.015 0.000 0.259 150 Q C -0.344 175.743 176.000 0.144 0.000 0.976 150 Q CA -0.132 55.753 55.803 0.136 0.000 0.923 150 Q CB 1.616 30.439 28.738 0.142 0.000 1.185 150 Q HN 0.628 nan 8.270 nan 0.000 0.410 151 K N 1.627 122.100 120.400 0.121 0.000 2.502 151 K HA 0.437 4.766 4.320 0.015 0.000 0.252 151 K C 0.220 176.885 176.600 0.109 0.000 1.043 151 K CA -0.844 55.519 56.287 0.127 0.000 0.999 151 K CB 0.892 33.466 32.500 0.124 0.000 1.343 151 K HN 0.341 nan 8.250 nan 0.000 0.513 152 R N 0.773 121.339 120.500 0.111 0.000 2.893 152 R HA 0.076 4.425 4.340 0.015 0.000 0.317 152 R C -0.373 175.964 176.300 0.063 0.000 1.239 152 R CA 0.134 56.281 56.100 0.078 0.000 1.128 152 R CB 0.045 30.383 30.300 0.065 0.000 1.377 152 R HN 0.553 nan 8.270 nan 0.000 0.583 153 D N -0.426 120.014 120.400 0.066 0.000 2.473 153 D HA -0.002 4.646 4.640 0.015 0.000 0.230 153 D C -0.073 176.254 176.300 0.045 0.000 1.097 153 D CA 0.106 54.139 54.000 0.055 0.000 0.861 153 D CB 0.412 41.249 40.800 0.062 0.000 1.114 153 D HN 0.082 nan 8.370 nan 0.000 0.500 154 N N -0.878 117.853 118.700 0.051 0.000 2.862 154 N HA -0.162 4.587 4.740 0.015 0.000 0.248 154 N C 0.293 175.829 175.510 0.043 0.000 1.116 154 N CA 1.106 54.182 53.050 0.045 0.000 0.727 154 N CB -1.473 37.033 38.487 0.032 0.000 1.083 154 N HN 0.097 nan 8.380 nan 0.000 0.555 155 T N -0.911 113.675 114.554 0.053 0.000 2.815 155 T HA 0.137 4.496 4.350 0.015 0.000 0.244 155 T C -0.111 174.615 174.700 0.042 0.000 1.040 155 T CA 1.707 63.835 62.100 0.046 0.000 1.176 155 T CB -0.086 68.814 68.868 0.054 0.000 0.880 155 T HN 0.543 nan 8.240 nan 0.000 0.414 156 T N 2.408 116.996 114.554 0.057 0.000 2.591 156 T HA -0.101 4.258 4.350 0.015 0.000 0.505 156 T C -0.654 174.054 174.700 0.013 0.000 0.818 156 T CA 0.020 62.150 62.100 0.051 0.000 2.679 156 T CB -0.986 67.906 68.868 0.041 0.000 1.740 156 T HN 0.506 nan 8.240 nan 0.000 0.573 157 E N 0.961 121.162 120.200 0.002 0.000 2.232 157 E HA 0.698 5.056 4.350 0.015 0.000 0.264 157 E C -0.441 176.042 176.600 -0.195 0.000 0.973 157 E CA -0.970 55.332 56.400 -0.164 0.000 0.849 157 E CB 1.317 30.819 29.700 -0.330 0.000 1.198 157 E HN 0.363 nan 8.360 nan 0.000 0.407 158 V N 3.066 122.800 119.914 -0.299 0.000 2.495 158 V HA 0.371 4.500 4.120 0.015 0.000 0.298 158 V C -1.236 174.689 176.094 -0.282 0.000 1.031 158 V CA -0.617 61.585 62.300 -0.162 0.000 0.871 158 V CB 0.844 32.637 31.823 -0.050 0.000 0.988 158 V HN 0.568 nan 8.190 nan 0.000 0.432 159 Y N 1.728 122.056 120.300 0.046 0.000 2.524 159 Y HA 0.710 5.267 4.550 0.012 0.000 0.344 159 Y C 0.511 176.469 175.900 0.096 0.000 1.012 159 Y CA -0.726 57.427 58.100 0.088 0.000 1.068 159 Y CB 2.310 40.805 38.460 0.058 0.000 1.249 159 Y HN 0.668 nan 8.280 nan 0.000 0.468 160 S N 0.936 116.826 115.700 0.315 0.000 2.566 160 S HA 0.997 5.476 4.470 0.015 0.000 0.298 160 S C -0.932 173.771 174.600 0.172 0.000 1.083 160 S CA -0.548 57.816 58.200 0.273 0.000 0.978 160 S CB 2.109 65.521 63.200 0.352 0.000 1.073 160 S HN 1.118 nan 8.310 nan 0.000 0.491 161 A N 1.284 124.172 122.820 0.113 0.000 2.612 161 A HA 0.664 4.993 4.320 0.015 0.000 0.293 161 A C -0.004 177.632 177.584 0.087 0.000 1.075 161 A CA -0.895 51.113 52.037 -0.047 0.000 0.680 161 A CB 0.750 19.788 19.000 0.063 0.000 1.279 161 A HN 0.702 nan 8.150 nan 0.000 0.411 162 N N 0.674 119.407 118.700 0.054 0.000 2.409 162 N HA 0.028 4.777 4.740 0.015 0.000 0.179 162 N C -0.357 174.966 175.510 -0.312 0.000 1.032 162 N CA 1.131 54.143 53.050 -0.062 0.000 0.898 162 N CB -0.014 38.430 38.487 -0.071 0.000 0.971 162 N HN 0.666 nan 8.380 nan 0.000 0.441 163 H N -0.630 118.671 119.070 0.386 0.000 2.856 163 H HA 0.423 4.988 4.556 0.014 0.000 0.355 163 H C -0.550 175.111 175.328 0.554 0.000 1.079 163 H CA -0.481 55.905 56.048 0.563 0.000 1.240 163 H CB 1.807 31.981 29.762 0.688 0.000 1.701 163 H HN -0.149 nan 8.280 nan 0.000 0.527 164 I N 3.683 124.606 120.570 0.588 0.000 2.466 164 I HA 0.135 4.314 4.170 0.015 0.000 0.289 164 I C -0.757 175.597 176.117 0.395 0.000 1.026 164 I CA -0.833 60.673 61.300 0.343 0.000 1.078 164 I CB 2.392 40.566 38.000 0.290 0.000 1.249 164 I HN 0.160 nan 8.210 nan 0.000 0.429 165 L N 8.235 129.562 121.223 0.175 0.000 2.296 165 L HA 0.579 4.928 4.340 0.015 0.000 0.286 165 L C -0.823 176.077 176.870 0.051 0.000 1.023 165 L CA -0.355 54.597 54.840 0.187 0.000 0.812 165 L CB 1.665 43.772 42.059 0.080 0.000 1.223 165 L HN 0.330 nan 8.230 nan 0.000 0.421 166 V N 5.600 125.578 119.914 0.106 0.000 2.333 166 V HA 0.711 4.840 4.120 0.015 0.000 0.274 166 V C 0.455 176.560 176.094 0.019 0.000 1.028 166 V CA 0.042 62.368 62.300 0.043 0.000 0.851 166 V CB 0.859 32.749 31.823 0.113 0.000 1.000 166 V HN 0.937 nan 8.190 nan 0.000 0.456 167 A N 2.901 125.692 122.820 -0.048 0.000 3.355 167 A HA 0.452 4.781 4.320 0.015 0.000 0.290 167 A C 0.940 178.472 177.584 -0.085 0.000 0.973 167 A CA 0.160 52.175 52.037 -0.038 0.000 0.933 167 A CB 0.278 19.257 19.000 -0.034 0.000 1.138 167 A HN 0.787 nan 8.150 nan 0.000 0.490 168 T N -2.536 111.959 114.554 -0.099 0.000 3.107 168 T HA 0.451 4.809 4.350 0.015 0.000 0.249 168 T C 1.298 175.965 174.700 -0.055 0.000 1.096 168 T CA 0.874 62.867 62.100 -0.178 0.000 1.012 168 T CB -0.201 68.479 68.868 -0.314 0.000 0.977 168 T HN 2.053 nan 8.240 nan 0.000 0.527 169 G N 0.429 109.242 108.800 0.022 0.000 2.601 169 G HA2 0.207 4.176 3.960 0.015 0.000 0.252 169 G HA3 0.207 4.176 3.960 0.015 0.000 0.252 169 G C 0.095 175.090 174.900 0.159 0.000 1.294 169 G CA -0.366 44.786 45.100 0.087 0.000 0.912 169 G HN 1.108 nan 8.290 nan 0.000 0.574 170 G N -1.131 107.771 108.800 0.170 0.000 3.251 170 G HA2 0.986 4.955 3.960 0.015 0.000 0.248 170 G HA3 0.986 4.955 3.960 0.015 0.000 0.248 170 G C -0.571 174.412 174.900 0.140 0.000 1.320 170 G CA 0.274 45.472 45.100 0.164 0.000 0.982 170 G HN 1.662 nan 8.290 nan 0.000 0.575 171 K N -1.972 118.483 120.400 0.091 0.000 2.610 171 K HA 0.653 4.982 4.320 0.015 0.000 0.278 171 K C -0.722 175.920 176.600 0.069 0.000 0.964 171 K CA -0.788 55.536 56.287 0.061 0.000 0.859 171 K CB 1.361 33.847 32.500 -0.023 0.000 1.434 171 K HN 0.948 nan 8.250 nan 0.000 0.410 172 A N 2.420 125.288 122.820 0.079 0.000 2.498 172 A HA 0.342 4.671 4.320 0.015 0.000 0.239 172 A C -0.028 177.564 177.584 0.014 0.000 1.068 172 A CA -0.357 51.689 52.037 0.015 0.000 0.766 172 A CB -0.266 18.707 19.000 -0.045 0.000 1.003 172 A HN 0.599 nan 8.150 nan 0.000 0.497 173 I N 1.651 122.184 120.570 -0.062 0.000 2.395 173 I HA 0.246 4.425 4.170 0.015 0.000 0.289 173 I C -0.651 175.336 176.117 -0.216 0.000 1.023 173 I CA 0.141 61.408 61.300 -0.056 0.000 1.350 173 I CB 0.663 38.628 38.000 -0.057 0.000 1.409 173 I HN 0.515 nan 8.210 nan 0.000 0.507 174 F N 7.154 127.018 119.950 -0.144 0.000 2.422 174 F HA 0.388 4.923 4.527 0.014 0.000 0.333 174 F C -1.769 173.709 175.800 -0.537 0.000 1.095 174 F CA -2.091 55.722 58.000 -0.312 0.000 1.038 174 F CB 1.247 40.157 39.000 -0.150 0.000 1.156 174 F HN 0.300 nan 8.300 nan 0.000 0.483 175 P HA 0.150 nan 4.420 nan 0.000 0.232 175 P C -0.281 176.520 177.300 -0.832 0.000 1.814 175 P CA -0.019 62.697 63.100 -0.640 0.000 1.085 175 P CB 0.259 31.510 31.700 -0.749 0.000 1.901 176 E N 1.396 121.038 120.200 -0.930 0.000 2.409 176 E HA -0.176 4.183 4.350 0.015 0.000 0.198 176 E C 1.311 177.545 176.600 -0.610 0.000 1.024 176 E CA 0.975 56.568 56.400 -1.345 0.000 0.861 176 E CB -0.295 28.938 29.700 -0.778 0.000 0.788 176 E HN 0.647 nan 8.360 nan 0.000 0.521 177 N N 0.520 119.002 118.700 -0.364 0.000 2.550 177 N HA -0.040 4.709 4.740 0.015 0.000 0.186 177 N C 0.375 175.844 175.510 -0.069 0.000 1.110 177 N CA 0.273 53.227 53.050 -0.161 0.000 0.912 177 N CB 0.100 38.513 38.487 -0.123 0.000 0.968 177 N HN 0.029 nan 8.380 nan 0.000 0.448 178 I N 1.085 121.618 120.570 -0.062 0.000 2.312 178 I HA 0.317 4.496 4.170 0.015 0.000 0.290 178 I C -2.351 173.922 176.117 0.260 0.000 1.008 178 I CA -2.744 58.610 61.300 0.091 0.000 1.226 178 I CB 1.501 39.554 38.000 0.088 0.000 1.371 178 I HN -0.184 nan 8.210 nan 0.000 0.468 179 P HA 0.103 nan 4.420 nan 0.000 0.267 179 P C 0.818 178.224 177.300 0.177 0.000 1.205 179 P CA 0.476 63.679 63.100 0.171 0.000 0.765 179 P CB 0.719 32.470 31.700 0.085 0.000 0.828 180 G N 3.088 111.960 108.800 0.120 0.000 2.179 180 G HA2 -0.363 3.606 3.960 0.015 0.000 0.260 180 G HA3 -0.363 3.606 3.960 0.015 0.000 0.260 180 G C 0.681 175.674 174.900 0.156 0.000 0.977 180 G CA 0.327 45.478 45.100 0.084 0.000 0.641 180 G HN 0.560 nan 8.290 nan 0.000 0.533 181 F N 1.927 122.009 119.950 0.220 0.000 2.161 181 F HA -0.061 4.475 4.527 0.014 0.000 0.300 181 F C 2.267 178.324 175.800 0.427 0.000 1.089 181 F CA 1.760 59.972 58.000 0.355 0.000 1.282 181 F CB -0.403 38.596 39.000 -0.002 0.000 1.010 181 F HN 0.321 nan 8.300 nan 0.000 0.485 182 E N 2.075 121.781 120.200 -0.823 0.000 2.333 182 E HA -0.192 4.167 4.350 0.015 0.000 0.198 182 E C 1.859 178.405 176.600 -0.091 0.000 1.007 182 E CA 1.204 57.267 56.400 -0.561 0.000 0.845 182 E CB -1.090 28.160 29.700 -0.750 0.000 0.766 182 E HN 0.630 nan 8.360 nan 0.000 0.507 183 L N 0.739 121.969 121.223 0.011 0.000 2.551 183 L HA 0.109 4.458 4.340 0.015 0.000 0.228 183 L C 1.332 178.268 176.870 0.108 0.000 1.153 183 L CA 0.548 55.418 54.840 0.050 0.000 0.851 183 L CB -0.249 41.829 42.059 0.032 0.000 0.959 183 L HN 0.084 nan 8.230 nan 0.000 0.451 184 G N -0.900 108.064 108.800 0.274 0.000 2.511 184 G HA2 0.578 4.547 3.960 0.015 0.000 0.318 184 G HA3 0.578 4.547 3.960 0.015 0.000 0.318 184 G C -0.366 174.809 174.900 0.459 0.000 1.210 184 G CA -0.176 45.042 45.100 0.197 0.000 0.969 184 G HN 0.011 nan 8.290 nan 0.000 0.484 185 T N -1.217 113.542 114.554 0.343 0.000 2.797 185 T HA 0.713 5.072 4.350 0.015 0.000 0.267 185 T C -0.603 174.334 174.700 0.396 0.000 0.986 185 T CA -0.542 61.846 62.100 0.481 0.000 0.999 185 T CB 1.529 70.582 68.868 0.309 0.000 1.508 185 T HN 0.647 nan 8.240 nan 0.000 0.595 186 D N -1.236 119.357 120.400 0.321 0.000 2.687 186 D HA 0.362 5.011 4.640 0.015 0.000 0.264 186 D C 1.372 177.789 176.300 0.195 0.000 1.091 186 D CA -0.356 53.726 54.000 0.136 0.000 1.123 186 D CB 0.321 41.140 40.800 0.031 0.000 1.407 186 D HN 0.477 nan 8.370 nan 0.000 0.591 187 S N -0.765 115.024 115.700 0.148 0.000 2.419 187 S HA -0.227 4.252 4.470 0.015 0.000 0.235 187 S C 1.054 175.856 174.600 0.335 0.000 1.019 187 S CA 1.325 59.628 58.200 0.172 0.000 0.982 187 S CB -0.559 62.712 63.200 0.119 0.000 0.789 187 S HN 0.432 nan 8.310 nan 0.000 0.490 188 D N 2.311 122.918 120.400 0.345 0.000 2.097 188 D HA 0.012 4.660 4.640 0.015 0.000 0.195 188 D C 2.260 178.783 176.300 0.370 0.000 0.989 188 D CA 1.478 55.718 54.000 0.400 0.000 0.827 188 D CB -1.153 39.823 40.800 0.294 0.000 0.966 188 D HN 0.540 nan 8.370 nan 0.000 0.456 189 G N 0.053 109.037 108.800 0.307 0.000 2.450 189 G HA2 -0.302 3.666 3.960 0.015 0.000 0.220 189 G HA3 -0.302 3.666 3.960 0.015 0.000 0.220 189 G C 1.520 176.566 174.900 0.243 0.000 1.130 189 G CA 0.589 45.845 45.100 0.261 0.000 0.760 189 G HN 0.298 nan 8.290 nan 0.000 0.557 190 F N 0.990 120.993 119.950 0.087 0.000 2.091 190 F HA -0.068 4.468 4.527 0.014 0.000 0.299 190 F C 2.058 177.835 175.800 -0.038 0.000 1.103 190 F CA 1.433 59.419 58.000 -0.024 0.000 1.228 190 F CB -0.217 38.620 39.000 -0.272 0.000 0.984 190 F HN 0.113 nan 8.300 nan 0.000 0.477 191 F N 0.430 120.536 119.950 0.261 0.000 2.604 191 F HA 0.074 4.610 4.527 0.016 0.000 0.298 191 F C 2.250 178.107 175.800 0.093 0.000 1.131 191 F CA 0.793 58.874 58.000 0.136 0.000 1.457 191 F CB -0.609 38.524 39.000 0.223 0.000 1.095 191 F HN -0.097 nan 8.300 nan 0.000 0.574 192 R N -0.287 120.358 120.500 0.242 0.000 2.254 192 R HA 0.148 4.496 4.340 0.015 0.000 0.195 192 R C 0.455 176.850 176.300 0.157 0.000 0.957 192 R CA -0.102 56.109 56.100 0.185 0.000 1.024 192 R CB -0.070 30.330 30.300 0.167 0.000 0.952 192 R HN 0.188 nan 8.270 nan 0.000 0.484 193 L N 2.414 123.725 121.223 0.146 0.000 2.628 193 L HA -0.097 4.252 4.340 0.015 0.000 0.274 193 L C 1.329 178.384 176.870 0.308 0.000 1.209 193 L CA 0.264 55.193 54.840 0.148 0.000 0.930 193 L CB 0.477 42.588 42.059 0.088 0.000 1.183 193 L HN 0.161 nan 8.230 nan 0.000 0.492 194 E N 2.295 122.598 120.200 0.171 0.000 2.190 194 E HA 0.047 4.406 4.350 0.015 0.000 0.191 194 E C 0.080 176.797 176.600 0.196 0.000 0.978 194 E CA 0.657 57.178 56.400 0.201 0.000 0.839 194 E CB 0.465 30.221 29.700 0.094 0.000 0.787 194 E HN 0.587 nan 8.360 nan 0.000 0.473 195 E N 0.887 121.016 120.200 -0.117 0.000 2.336 195 E HA 0.228 4.587 4.350 0.015 0.000 0.267 195 E C -0.630 175.407 176.600 -0.938 0.000 0.906 195 E CA -0.631 55.570 56.400 -0.332 0.000 0.781 195 E CB 1.793 31.390 29.700 -0.171 0.000 1.261 195 E HN -0.040 nan 8.360 nan 0.000 0.436 196 Q N 2.688 121.959 119.800 -0.881 0.000 2.296 196 Q HA 0.210 4.559 4.340 0.015 0.000 0.262 196 Q C -2.049 173.685 176.000 -0.443 0.000 0.981 196 Q CA -1.519 53.735 55.803 -0.916 0.000 0.905 196 Q CB 0.604 29.198 28.738 -0.240 0.000 1.186 196 Q HN 0.119 nan 8.270 nan 0.000 0.399 197 P HA 0.035 nan 4.420 nan 0.000 0.276 197 P C -0.616 176.570 177.300 -0.190 0.000 1.230 197 P CA -0.075 62.865 63.100 -0.267 0.000 0.776 197 P CB 1.323 32.835 31.700 -0.313 0.000 0.888 198 K N 2.736 123.051 120.400 -0.141 0.000 2.103 198 K HA -0.043 4.286 4.320 0.015 0.000 0.204 198 K C 0.538 177.083 176.600 -0.092 0.000 1.052 198 K CA 0.969 57.201 56.287 -0.092 0.000 0.945 198 K CB 0.179 32.637 32.500 -0.071 0.000 0.722 198 K HN 0.326 nan 8.250 nan 0.000 0.443 199 K N 1.012 121.339 120.400 -0.121 0.000 2.545 199 K HA 0.235 4.564 4.320 0.015 0.000 0.252 199 K C -2.020 174.472 176.600 -0.180 0.000 0.948 199 K CA -0.644 55.583 56.287 -0.100 0.000 0.827 199 K CB 2.178 34.637 32.500 -0.069 0.000 1.128 199 K HN -0.044 nan 8.250 nan 0.000 0.429 200 V N 4.719 124.504 119.914 -0.215 0.000 2.735 200 V HA 0.609 4.738 4.120 0.015 0.000 0.310 200 V C -1.432 174.544 176.094 -0.197 0.000 1.061 200 V CA -0.599 61.494 62.300 -0.346 0.000 0.913 200 V CB 2.122 33.456 31.823 -0.816 0.000 1.005 200 V HN 0.530 nan 8.190 nan 0.000 0.428 201 V N 6.435 126.224 119.914 -0.209 0.000 2.495 201 V HA 0.594 4.723 4.120 0.015 0.000 0.298 201 V C -0.450 175.553 176.094 -0.151 0.000 1.031 201 V CA -0.499 61.714 62.300 -0.144 0.000 0.871 201 V CB 1.908 33.597 31.823 -0.223 0.000 0.988 201 V HN 0.684 nan 8.190 nan 0.000 0.432 202 V N 5.273 125.154 119.914 -0.055 0.000 2.555 202 V HA 0.563 4.692 4.120 0.015 0.000 0.302 202 V C -0.418 175.668 176.094 -0.014 0.000 1.038 202 V CA -0.624 61.663 62.300 -0.022 0.000 0.887 202 V CB 2.139 34.010 31.823 0.079 0.000 0.991 202 V HN 0.599 nan 8.190 nan 0.000 0.434 203 V N 3.220 123.119 119.914 -0.025 0.000 2.409 203 V HA 0.985 5.114 4.120 0.015 0.000 0.291 203 V C 0.370 176.530 176.094 0.110 0.000 1.020 203 V CA 0.160 62.489 62.300 0.049 0.000 0.848 203 V CB 1.013 32.878 31.823 0.070 0.000 0.990 203 V HN 1.328 nan 8.190 nan 0.000 0.430 204 G N 3.562 112.424 108.800 0.103 0.000 2.627 204 G HA2 0.393 4.361 3.960 0.015 0.000 0.680 204 G HA3 0.393 4.361 3.960 0.015 0.000 0.680 204 G C 0.009 174.955 174.900 0.077 0.000 1.341 204 G CA -0.093 45.061 45.100 0.090 0.000 0.835 204 G HN 1.247 nan 8.290 nan 0.000 0.643 205 A N 0.639 123.502 122.820 0.072 0.000 2.275 205 A HA 0.668 4.997 4.320 0.015 0.000 0.212 205 A C 1.733 179.364 177.584 0.078 0.000 1.201 205 A CA 1.554 53.631 52.037 0.068 0.000 0.843 205 A CB -0.296 18.742 19.000 0.063 0.000 0.873 205 A HN 2.245 nan 8.150 nan 0.000 0.492 206 G N -1.275 107.571 108.800 0.075 0.000 2.716 206 G HA2 0.182 4.151 3.960 0.015 0.000 0.251 206 G HA3 0.182 4.151 3.960 0.015 0.000 0.251 206 G C 0.653 175.611 174.900 0.096 0.000 1.224 206 G CA 0.253 45.413 45.100 0.100 0.000 0.891 206 G HN 0.691 nan 8.290 nan 0.000 0.561 207 Y N -0.714 119.646 120.300 0.101 0.000 2.293 207 Y HA 0.008 4.566 4.550 0.014 0.000 0.291 207 Y C 2.285 178.220 175.900 0.057 0.000 1.137 207 Y CA 1.076 59.207 58.100 0.052 0.000 1.202 207 Y CB -0.300 38.205 38.460 0.075 0.000 0.990 207 Y HN 0.254 nan 8.280 nan 0.000 0.537 208 I N 1.278 121.468 120.570 -0.634 0.000 2.179 208 I HA -0.185 3.994 4.170 0.015 0.000 0.242 208 I C 2.767 178.797 176.117 -0.146 0.000 1.088 208 I CA 1.615 62.650 61.300 -0.442 0.000 1.357 208 I CB -0.838 36.885 38.000 -0.460 0.000 1.051 208 I HN 0.471 nan 8.210 nan 0.000 0.409 209 G N 0.721 109.471 108.800 -0.084 0.000 2.422 209 G HA2 -0.166 3.803 3.960 0.015 0.000 0.218 209 G HA3 -0.166 3.803 3.960 0.015 0.000 0.218 209 G C 1.523 176.476 174.900 0.088 0.000 1.140 209 G CA 0.339 45.442 45.100 0.005 0.000 0.775 209 G HN 0.148 nan 8.290 nan 0.000 0.545 210 I N 1.288 121.923 120.570 0.108 0.000 2.226 210 I HA -0.079 4.100 4.170 0.015 0.000 0.245 210 I C 2.598 178.889 176.117 0.291 0.000 1.100 210 I CA 0.755 62.178 61.300 0.204 0.000 1.374 210 I CB -0.708 37.330 38.000 0.063 0.000 1.057 210 I HN 0.292 nan 8.210 nan 0.000 0.413 211 E N 0.018 120.335 120.200 0.195 0.000 2.051 211 E HA -0.179 4.180 4.350 0.015 0.000 0.192 211 E C 2.344 179.011 176.600 0.112 0.000 0.991 211 E CA 1.068 57.596 56.400 0.212 0.000 0.799 211 E CB -0.247 29.567 29.700 0.190 0.000 0.748 211 E HN 0.403 nan 8.360 nan 0.000 0.449 212 L N 0.546 121.746 121.223 -0.038 0.000 2.083 212 L HA -0.157 4.192 4.340 0.015 0.000 0.209 212 L C 2.584 179.490 176.870 0.060 0.000 1.083 212 L CA 0.849 55.555 54.840 -0.224 0.000 0.752 212 L CB -0.505 41.328 42.059 -0.378 0.000 0.899 212 L HN 0.156 nan 8.230 nan 0.000 0.433 213 A N 0.453 123.387 122.820 0.190 0.000 1.898 213 A HA -0.103 4.226 4.320 0.015 0.000 0.216 213 A C 2.417 180.082 177.584 0.136 0.000 1.181 213 A CA 1.643 53.825 52.037 0.241 0.000 0.620 213 A CB -1.175 17.955 19.000 0.217 0.000 0.819 213 A HN 0.423 nan 8.150 nan 0.000 0.442 214 G N -0.651 108.213 108.800 0.106 0.000 2.418 214 G HA2 -0.114 3.855 3.960 0.015 0.000 0.217 214 G HA3 -0.114 3.855 3.960 0.015 0.000 0.217 214 G C 1.525 176.456 174.900 0.052 0.000 1.158 214 G CA 1.229 46.350 45.100 0.036 0.000 0.771 214 G HN 0.304 nan 8.290 nan 0.000 0.545 215 V N 0.112 120.062 119.914 0.061 0.000 2.307 215 V HA -0.086 4.043 4.120 0.015 0.000 0.245 215 V C 2.468 178.562 176.094 0.001 0.000 1.045 215 V CA 1.615 63.897 62.300 -0.031 0.000 1.024 215 V CB -0.599 31.184 31.823 -0.067 0.000 0.651 215 V HN 0.401 nan 8.190 nan 0.000 0.449 216 F N -0.539 119.484 119.950 0.122 0.000 2.095 216 F HA -0.268 4.268 4.527 0.015 0.000 0.298 216 F C 2.580 178.401 175.800 0.034 0.000 1.104 216 F CA 2.213 60.297 58.000 0.141 0.000 1.232 216 F CB -0.390 38.700 39.000 0.150 0.000 0.987 216 F HN 0.266 nan 8.300 nan 0.000 0.475 217 H N -0.154 118.985 119.070 0.115 0.000 2.357 217 H HA -0.087 4.478 4.556 0.015 0.000 0.301 217 H C 2.365 177.633 175.328 -0.100 0.000 1.082 217 H CA 1.396 57.426 56.048 -0.030 0.000 1.342 217 H CB -0.497 29.184 29.762 -0.134 0.000 1.389 217 H HN 0.327 nan 8.280 nan 0.000 0.511 218 G N 0.639 109.345 108.800 -0.156 0.000 2.448 218 G HA2 -0.145 3.824 3.960 0.015 0.000 0.219 218 G HA3 -0.145 3.824 3.960 0.015 0.000 0.219 218 G C 1.668 176.390 174.900 -0.296 0.000 1.127 218 G CA 0.309 45.237 45.100 -0.286 0.000 0.766 218 G HN 0.366 nan 8.290 nan 0.000 0.552 219 L N -0.024 121.058 121.223 -0.235 0.000 2.611 219 L HA 0.307 4.656 4.340 0.015 0.000 0.229 219 L C 1.929 178.742 176.870 -0.096 0.000 1.137 219 L CA 0.461 55.148 54.840 -0.255 0.000 0.901 219 L CB 0.297 42.149 42.059 -0.344 0.000 1.098 219 L HN 0.368 nan 8.230 nan 0.000 0.456 220 G N -1.042 107.676 108.800 -0.135 0.000 2.195 220 G HA2 -0.239 3.730 3.960 0.015 0.000 0.224 220 G HA3 -0.239 3.730 3.960 0.015 0.000 0.224 220 G C 0.304 175.167 174.900 -0.062 0.000 0.990 220 G CA 0.052 45.085 45.100 -0.111 0.000 0.639 220 G HN 0.279 nan 8.290 nan 0.000 0.514 221 S N 0.617 116.322 115.700 0.008 0.000 2.565 221 S HA 0.409 4.888 4.470 0.015 0.000 0.276 221 S C 0.345 174.942 174.600 -0.004 0.000 1.326 221 S CA -0.252 57.955 58.200 0.011 0.000 1.045 221 S CB 1.722 64.946 63.200 0.041 0.000 0.918 221 S HN 0.470 nan 8.310 nan 0.000 0.505 222 E N 2.028 122.224 120.200 -0.007 0.000 2.220 222 E HA 0.068 4.426 4.350 0.015 0.000 0.272 222 E C -0.801 175.824 176.600 0.041 0.000 1.099 222 E CA 0.069 56.484 56.400 0.026 0.000 0.907 222 E CB 0.288 30.016 29.700 0.046 0.000 1.022 222 E HN 0.436 nan 8.360 nan 0.000 0.428 223 T N 5.313 119.886 114.554 0.033 0.000 2.824 223 T HA 0.328 4.687 4.350 0.015 0.000 0.280 223 T C -0.677 173.949 174.700 -0.124 0.000 0.995 223 T CA -0.601 61.506 62.100 0.010 0.000 1.009 223 T CB 0.807 69.723 68.868 0.080 0.000 0.955 223 T HN 0.405 nan 8.240 nan 0.000 0.452 224 H N 1.870 120.945 119.070 0.009 0.000 2.600 224 H HA 0.553 5.118 4.556 0.015 0.000 0.357 224 H C -1.182 174.194 175.328 0.080 0.000 1.106 224 H CA -0.798 55.302 56.048 0.087 0.000 1.193 224 H CB 2.461 32.283 29.762 0.100 0.000 1.594 224 H HN 0.270 nan 8.280 nan 0.000 0.526 225 L N 3.417 124.789 121.223 0.249 0.000 2.381 225 L HA 0.347 4.696 4.340 0.015 0.000 0.274 225 L C -1.265 175.738 176.870 0.220 0.000 0.988 225 L CA -0.660 54.291 54.840 0.186 0.000 0.824 225 L CB 1.623 43.786 42.059 0.175 0.000 1.263 225 L HN 0.325 nan 8.230 nan 0.000 0.410 226 V N 6.505 126.503 119.914 0.140 0.000 2.384 226 V HA 0.588 4.716 4.120 0.015 0.000 0.287 226 V C -0.040 176.123 176.094 0.116 0.000 1.020 226 V CA -0.440 61.938 62.300 0.129 0.000 0.850 226 V CB 1.373 33.222 31.823 0.042 0.000 0.987 226 V HN 0.726 nan 8.190 nan 0.000 0.436 227 I N 1.786 122.427 120.570 0.119 0.000 2.769 227 I HA 0.661 4.840 4.170 0.015 0.000 0.298 227 I C 0.817 176.985 176.117 0.085 0.000 1.128 227 I CA -0.914 60.443 61.300 0.095 0.000 1.031 227 I CB 2.313 40.362 38.000 0.081 0.000 1.235 227 I HN 0.257 nan 8.210 nan 0.000 0.423 228 R N 3.110 123.654 120.500 0.073 0.000 2.090 228 R HA 0.180 4.529 4.340 0.015 0.000 0.228 228 R C 0.929 177.261 176.300 0.052 0.000 1.110 228 R CA 1.061 57.198 56.100 0.062 0.000 0.973 228 R CB -0.578 29.755 30.300 0.055 0.000 0.869 228 R HN 0.907 nan 8.270 nan 0.000 0.440 229 G N 0.119 108.948 108.800 0.048 0.000 2.736 229 G HA2 0.151 4.120 3.960 0.015 0.000 0.229 229 G HA3 0.151 4.120 3.960 0.015 0.000 0.229 229 G C 0.395 175.317 174.900 0.036 0.000 1.380 229 G CA -0.378 44.745 45.100 0.038 0.000 1.040 229 G HN -0.040 nan 8.290 nan 0.000 0.568 230 E N -0.603 119.613 120.200 0.026 0.000 2.400 230 E HA 0.074 4.433 4.350 0.015 0.000 0.195 230 E C 0.722 177.331 176.600 0.015 0.000 1.012 230 E CA 0.755 57.167 56.400 0.020 0.000 0.875 230 E CB 0.448 30.156 29.700 0.014 0.000 0.859 230 E HN 0.498 nan 8.360 nan 0.000 0.498 231 T N -1.779 112.784 114.554 0.015 0.000 2.903 231 T HA 0.501 4.860 4.350 0.015 0.000 0.299 231 T C 0.248 174.953 174.700 0.009 0.000 1.093 231 T CA -0.961 61.142 62.100 0.004 0.000 1.002 231 T CB 2.069 70.936 68.868 -0.002 0.000 1.127 231 T HN -0.099 nan 8.240 nan 0.000 0.488 232 V N 0.633 120.539 119.914 -0.014 0.000 3.336 232 V HA 0.583 4.712 4.120 0.015 0.000 0.304 232 V C 0.840 176.935 176.094 0.002 0.000 1.073 232 V CA -1.155 61.138 62.300 -0.012 0.000 1.074 232 V CB -0.368 31.413 31.823 -0.069 0.000 1.161 232 V HN 1.166 nan 8.190 nan 0.000 0.460 233 L N -0.677 120.570 121.223 0.040 0.000 3.677 233 L HA -0.178 4.171 4.340 0.015 0.000 0.464 233 L C 1.633 178.632 176.870 0.215 0.000 1.278 233 L CA 0.548 55.465 54.840 0.129 0.000 0.806 233 L CB -1.268 40.755 42.059 -0.062 0.000 1.610 233 L HN 0.813 nan 8.230 nan 0.000 0.867 234 R N 0.206 120.795 120.500 0.147 0.000 2.339 234 R HA -0.061 4.288 4.340 0.015 0.000 0.199 234 R C 1.626 177.976 176.300 0.083 0.000 1.018 234 R CA 0.717 56.877 56.100 0.099 0.000 1.036 234 R CB 0.006 30.341 30.300 0.059 0.000 0.899 234 R HN 0.540 nan 8.270 nan 0.000 0.473 235 K N -0.479 119.989 120.400 0.113 0.000 2.418 235 K HA 0.051 4.380 4.320 0.015 0.000 0.195 235 K C -0.029 176.439 176.600 -0.222 0.000 1.035 235 K CA 0.504 56.741 56.287 -0.083 0.000 1.003 235 K CB 0.276 32.658 32.500 -0.196 0.000 0.793 235 K HN -0.056 nan 8.250 nan 0.000 0.494 236 F N 1.256 121.179 119.950 -0.045 0.000 2.457 236 F HA 0.127 4.663 4.527 0.014 0.000 0.330 236 F C 0.952 176.662 175.800 -0.150 0.000 1.069 236 F CA -1.628 56.316 58.000 -0.092 0.000 1.009 236 F CB 0.341 39.294 39.000 -0.078 0.000 1.276 236 F HN -0.106 nan 8.300 nan 0.000 0.492 237 D N 1.128 121.470 120.400 -0.095 0.000 2.478 237 D HA -0.110 4.538 4.640 0.015 0.000 0.234 237 D C 0.985 177.236 176.300 -0.083 0.000 1.154 237 D CA 0.187 54.048 54.000 -0.233 0.000 0.874 237 D CB 0.866 41.263 40.800 -0.671 0.000 1.198 237 D HN 0.524 nan 8.370 nan 0.000 0.455 238 E N 2.022 122.186 120.200 -0.060 0.000 2.209 238 E HA -0.166 4.192 4.350 0.015 0.000 0.196 238 E C 1.867 178.453 176.600 -0.024 0.000 0.993 238 E CA 0.507 56.891 56.400 -0.026 0.000 0.819 238 E CB -0.367 29.323 29.700 -0.017 0.000 0.745 238 E HN 0.524 nan 8.360 nan 0.000 0.477 239 C N 0.103 119.389 119.300 -0.024 0.000 2.446 239 C HA -0.078 4.390 4.460 0.015 0.000 0.277 239 C C 2.681 177.658 174.990 -0.022 0.000 1.275 239 C CA 0.324 59.339 59.018 -0.006 0.000 1.727 239 C CB -1.026 26.734 27.740 0.033 0.000 2.010 239 C HN 0.346 nan 8.230 nan 0.000 0.486 240 I N 0.437 120.988 120.570 -0.031 0.000 2.252 240 I HA -0.236 3.943 4.170 0.015 0.000 0.245 240 I C 2.763 178.823 176.117 -0.095 0.000 1.102 240 I CA 1.628 62.884 61.300 -0.073 0.000 1.385 240 I CB -0.610 37.332 38.000 -0.097 0.000 1.064 240 I HN 0.468 nan 8.210 nan 0.000 0.414 241 Q N 0.594 120.361 119.800 -0.056 0.000 2.061 241 Q HA -0.234 4.114 4.340 0.015 0.000 0.204 241 Q C 1.966 177.931 176.000 -0.059 0.000 0.984 241 Q CA 2.063 57.835 55.803 -0.051 0.000 0.846 241 Q CB -0.301 28.431 28.738 -0.011 0.000 0.902 241 Q HN 0.605 nan 8.270 nan 0.000 0.421 242 N N -0.773 117.902 118.700 -0.042 0.000 2.142 242 N HA -0.100 4.649 4.740 0.015 0.000 0.186 242 N C 1.696 177.183 175.510 -0.039 0.000 1.023 242 N CA 1.407 54.437 53.050 -0.033 0.000 0.852 242 N CB 0.079 38.553 38.487 -0.021 0.000 0.998 242 N HN 0.131 nan 8.380 nan 0.000 0.424 243 T N 1.453 115.976 114.554 -0.052 0.000 2.737 243 T HA -0.017 4.342 4.350 0.015 0.000 0.265 243 T C 1.858 176.528 174.700 -0.051 0.000 1.038 243 T CA 0.628 62.696 62.100 -0.053 0.000 1.144 243 T CB -0.011 68.811 68.868 -0.077 0.000 0.866 243 T HN 0.122 nan 8.240 nan 0.000 0.434 244 I N 1.729 122.230 120.570 -0.115 0.000 2.252 244 I HA -0.101 4.078 4.170 0.015 0.000 0.245 244 I C 2.638 178.627 176.117 -0.213 0.000 1.102 244 I CA 1.357 62.532 61.300 -0.209 0.000 1.385 244 I CB -1.780 36.005 38.000 -0.359 0.000 1.064 244 I HN 0.250 nan 8.210 nan 0.000 0.414 245 T N 1.058 115.526 114.554 -0.144 0.000 2.652 245 T HA -0.190 4.169 4.350 0.015 0.000 0.267 245 T C 1.543 176.247 174.700 0.007 0.000 1.039 245 T CA 1.828 63.886 62.100 -0.070 0.000 1.153 245 T CB -0.248 68.594 68.868 -0.044 0.000 0.863 245 T HN 0.266 nan 8.240 nan 0.000 0.428 246 D N -0.219 120.188 120.400 0.012 0.000 2.117 246 D HA -0.077 4.572 4.640 0.015 0.000 0.197 246 D C 1.959 178.303 176.300 0.073 0.000 0.987 246 D CA 1.132 55.151 54.000 0.031 0.000 0.829 246 D CB -0.507 40.305 40.800 0.020 0.000 0.961 246 D HN 0.443 nan 8.370 nan 0.000 0.460 247 H N -0.704 118.378 119.070 0.020 0.000 2.389 247 H HA -0.121 4.444 4.556 0.015 0.000 0.299 247 H C 1.610 177.040 175.328 0.170 0.000 1.081 247 H CA 1.318 57.404 56.048 0.064 0.000 1.345 247 H CB -0.140 29.651 29.762 0.049 0.000 1.393 247 H HN 0.073 nan 8.280 nan 0.000 0.520 248 Y N -0.435 119.837 120.300 -0.048 0.000 2.181 248 Y HA -0.188 4.371 4.550 0.014 0.000 0.288 248 Y C 2.698 178.479 175.900 -0.199 0.000 1.146 248 Y CA 1.178 59.206 58.100 -0.121 0.000 1.164 248 Y CB -0.778 37.652 38.460 -0.050 0.000 0.982 248 Y HN 0.090 nan 8.280 nan 0.000 0.515 249 V N 0.016 119.937 119.914 0.010 0.000 2.261 249 V HA -0.313 3.816 4.120 0.015 0.000 0.246 249 V C 2.377 178.399 176.094 -0.120 0.000 1.047 249 V CA 1.971 64.228 62.300 -0.072 0.000 1.015 249 V CB -0.572 31.224 31.823 -0.044 0.000 0.642 249 V HN 0.285 nan 8.190 nan 0.000 0.446 250 K N -0.391 119.939 120.400 -0.117 0.000 2.074 250 K HA -0.264 4.064 4.320 0.015 0.000 0.209 250 K C 2.234 178.727 176.600 -0.178 0.000 1.048 250 K CA 1.943 58.150 56.287 -0.132 0.000 0.926 250 K CB -0.234 32.192 32.500 -0.123 0.000 0.713 250 K HN 0.534 nan 8.250 nan 0.000 0.444 251 E N -1.197 118.827 120.200 -0.294 0.000 2.085 251 E HA -0.175 4.184 4.350 0.015 0.000 0.194 251 E C 1.077 177.561 176.600 -0.194 0.000 0.994 251 E CA 1.230 57.472 56.400 -0.264 0.000 0.801 251 E CB 0.087 29.553 29.700 -0.391 0.000 0.743 251 E HN 0.582 nan 8.360 nan 0.000 0.453 252 G N -0.091 108.534 108.800 -0.292 0.000 2.273 252 G HA2 -0.164 3.805 3.960 0.015 0.000 0.162 252 G HA3 -0.164 3.805 3.960 0.015 0.000 0.162 252 G C 0.119 174.789 174.900 -0.384 0.000 1.006 252 G CA -0.280 44.701 45.100 -0.197 0.000 0.704 252 G HN 0.099 nan 8.290 nan 0.000 0.487 253 I N 2.483 122.697 120.570 -0.593 0.000 2.452 253 I HA 0.169 4.347 4.170 0.015 0.000 0.287 253 I C -0.121 175.827 176.117 -0.282 0.000 1.079 253 I CA -0.535 60.486 61.300 -0.466 0.000 1.387 253 I CB 0.609 38.309 38.000 -0.500 0.000 1.404 253 I HN 0.047 nan 8.210 nan 0.000 0.522 254 N N 7.097 125.602 118.700 -0.325 0.000 2.415 254 N HA 0.109 4.858 4.740 0.015 0.000 0.250 254 N C -0.703 174.687 175.510 -0.200 0.000 1.127 254 N CA -0.105 52.737 53.050 -0.346 0.000 0.945 254 N CB 1.238 39.346 38.487 -0.631 0.000 1.196 254 N HN 0.238 nan 8.380 nan 0.000 0.499 255 V N 4.140 123.955 119.914 -0.165 0.000 2.368 255 V HA 0.061 4.190 4.120 0.015 0.000 0.266 255 V C 0.499 176.519 176.094 -0.124 0.000 1.045 255 V CA -0.605 61.670 62.300 -0.042 0.000 0.899 255 V CB 0.110 31.939 31.823 0.010 0.000 1.006 255 V HN 0.517 nan 8.190 nan 0.000 0.470 256 H N 5.042 124.146 119.070 0.057 0.000 2.911 256 H HA 0.303 4.868 4.556 0.015 0.000 0.273 256 H C 0.050 175.405 175.328 0.045 0.000 1.157 256 H CA -0.376 55.704 56.048 0.054 0.000 1.402 256 H CB 0.716 30.516 29.762 0.063 0.000 1.463 256 H HN 0.591 nan 8.280 nan 0.000 0.475 257 K N 2.138 122.592 120.400 0.090 0.000 2.107 257 K HA 0.190 4.518 4.320 0.015 0.000 0.251 257 K C 0.896 177.542 176.600 0.075 0.000 1.012 257 K CA -0.851 55.478 56.287 0.070 0.000 0.920 257 K CB 1.284 33.805 32.500 0.035 0.000 1.033 257 K HN 0.491 nan 8.250 nan 0.000 0.478 258 L N 0.376 121.636 121.223 0.061 0.000 3.781 258 L HA -0.276 4.072 4.340 0.015 0.000 0.426 258 L C -0.654 176.256 176.870 0.067 0.000 1.197 258 L CA 0.239 55.112 54.840 0.056 0.000 0.907 258 L CB -1.947 40.139 42.059 0.044 0.000 1.812 258 L HN 0.564 nan 8.230 nan 0.000 0.956 259 S N -0.463 115.286 115.700 0.081 0.000 2.599 259 S HA 0.838 5.317 4.470 0.015 0.000 0.294 259 S C -0.389 174.261 174.600 0.083 0.000 1.094 259 S CA -0.889 57.362 58.200 0.086 0.000 0.931 259 S CB 2.931 66.198 63.200 0.111 0.000 1.093 259 S HN 0.358 nan 8.310 nan 0.000 0.488 260 K N 0.589 121.037 120.400 0.080 0.000 2.543 260 K HA 0.503 4.832 4.320 0.015 0.000 0.255 260 K C -1.580 175.083 176.600 0.105 0.000 0.934 260 K CA -0.681 55.664 56.287 0.096 0.000 0.810 260 K CB 0.931 33.482 32.500 0.086 0.000 1.315 260 K HN 0.542 nan 8.250 nan 0.000 0.433 261 I N 3.710 124.370 120.570 0.150 0.000 2.556 261 I HA -0.022 4.157 4.170 0.015 0.000 0.284 261 I C 1.150 177.373 176.117 0.178 0.000 1.114 261 I CA -0.262 61.143 61.300 0.176 0.000 1.418 261 I CB 1.384 39.549 38.000 0.275 0.000 1.394 261 I HN 0.680 nan 8.210 nan 0.000 0.552 262 V N 2.286 122.290 119.914 0.151 0.000 3.604 262 V HA 0.387 4.516 4.120 0.015 0.000 0.277 262 V C 0.070 176.236 176.094 0.119 0.000 1.399 262 V CA 0.146 62.518 62.300 0.119 0.000 1.034 262 V CB 0.118 31.991 31.823 0.084 0.000 0.824 262 V HN 0.773 nan 8.190 nan 0.000 0.439 263 K N 0.127 120.621 120.400 0.156 0.000 2.569 263 K HA 0.673 5.002 4.320 0.015 0.000 0.259 263 K C -1.872 174.846 176.600 0.196 0.000 0.932 263 K CA -0.219 56.142 56.287 0.124 0.000 0.833 263 K CB 2.445 34.923 32.500 -0.037 0.000 1.340 263 K HN -0.013 nan 8.250 nan 0.000 0.429 264 V N 3.833 123.855 119.914 0.180 0.000 2.604 264 V HA 0.651 4.780 4.120 0.015 0.000 0.305 264 V C -0.799 175.362 176.094 0.111 0.000 1.043 264 V CA -0.561 61.839 62.300 0.166 0.000 0.888 264 V CB 1.619 33.555 31.823 0.188 0.000 0.995 264 V HN 0.898 nan 8.190 nan 0.000 0.429 265 E N 2.823 123.084 120.200 0.102 0.000 2.429 265 E HA 0.636 4.994 4.350 0.015 0.000 0.276 265 E C -1.422 175.199 176.600 0.034 0.000 0.953 265 E CA -1.201 55.234 56.400 0.060 0.000 0.787 265 E CB 3.075 32.816 29.700 0.068 0.000 1.307 265 E HN 0.465 nan 8.360 nan 0.000 0.458 266 K N 1.467 121.875 120.400 0.014 0.000 2.244 266 K HA 0.272 4.601 4.320 0.015 0.000 0.260 266 K C -0.634 175.965 176.600 -0.002 0.000 0.951 266 K CA -0.663 55.623 56.287 -0.002 0.000 0.826 266 K CB 1.444 33.937 32.500 -0.011 0.000 1.108 266 K HN 0.475 nan 8.250 nan 0.000 0.433 267 N N 1.631 120.326 118.700 -0.008 0.000 2.413 267 N HA 0.118 4.867 4.740 0.015 0.000 0.266 267 N C 0.210 175.712 175.510 -0.013 0.000 1.238 267 N CA -0.255 52.790 53.050 -0.009 0.000 0.972 267 N CB 0.888 39.367 38.487 -0.014 0.000 1.210 267 N HN 0.273 nan 8.380 nan 0.000 0.547 271 D N 0.964 121.347 120.400 -0.028 0.000 2.946 271 D HA -0.126 4.523 4.640 0.015 0.000 0.202 271 D C -0.034 176.243 176.300 -0.038 0.000 1.068 271 D CA 1.440 55.421 54.000 -0.031 0.000 1.011 271 D CB -0.767 40.015 40.800 -0.031 0.000 1.105 271 D HN 0.496 nan 8.370 nan 0.000 0.425 272 K N -0.131 120.244 120.400 -0.042 0.000 2.109 272 K HA 0.642 4.971 4.320 0.015 0.000 0.243 272 K C 0.399 176.969 176.600 -0.050 0.000 1.006 272 K CA -0.723 55.531 56.287 -0.054 0.000 0.917 272 K CB 1.025 33.489 32.500 -0.061 0.000 1.081 272 K HN 0.069 nan 8.250 nan 0.000 0.468 273 L N 0.902 122.085 121.223 -0.066 0.000 2.352 273 L HA 0.502 4.851 4.340 0.015 0.000 0.269 273 L C -0.237 176.588 176.870 -0.074 0.000 1.034 273 L CA -0.891 53.914 54.840 -0.058 0.000 0.806 273 L CB 1.103 43.120 42.059 -0.070 0.000 1.244 273 L HN 0.498 nan 8.230 nan 0.000 0.447 274 K N 2.285 122.657 120.400 -0.046 0.000 2.413 274 K HA 0.525 4.854 4.320 0.015 0.000 0.257 274 K C -1.378 175.187 176.600 -0.059 0.000 0.946 274 K CA -0.539 55.693 56.287 -0.091 0.000 0.823 274 K CB 1.456 33.925 32.500 -0.053 0.000 1.109 274 K HN 0.460 nan 8.250 nan 0.000 0.427 275 I N 4.662 125.135 120.570 -0.162 0.000 2.339 275 I HA 0.209 4.388 4.170 0.015 0.000 0.290 275 I C -0.569 175.451 176.117 -0.162 0.000 0.994 275 I CA -0.744 60.499 61.300 -0.096 0.000 1.191 275 I CB 1.204 39.101 38.000 -0.172 0.000 1.343 275 I HN 0.691 nan 8.210 nan 0.000 0.458 276 H N 5.496 124.550 119.070 -0.027 0.000 2.488 276 H HA 0.459 5.024 4.556 0.015 0.000 0.322 276 H C -0.142 175.186 175.328 0.000 0.000 1.078 276 H CA -0.460 55.581 56.048 -0.013 0.000 1.260 276 H CB 1.586 31.353 29.762 0.008 0.000 1.425 276 H HN 0.421 nan 8.280 nan 0.000 0.471 277 M N 2.238 121.884 119.600 0.077 0.000 2.471 277 M HA 0.139 4.628 4.480 0.015 0.000 0.309 277 M C 1.481 177.829 176.300 0.079 0.000 1.186 277 M CA -0.611 54.724 55.300 0.059 0.000 1.008 277 M CB 0.896 33.509 32.600 0.021 0.000 1.551 277 M HN 0.759 nan 8.290 nan 0.000 0.477 278 N N 0.509 119.251 118.700 0.070 0.000 2.457 278 N HA -0.131 4.617 4.740 0.015 0.000 0.180 278 N C 0.202 175.744 175.510 0.054 0.000 1.050 278 N CA 1.176 54.264 53.050 0.062 0.000 0.906 278 N CB -0.358 38.164 38.487 0.058 0.000 0.968 278 N HN 0.698 nan 8.380 nan 0.000 0.445 279 D N -0.446 119.986 120.400 0.054 0.000 2.339 279 D HA 0.008 4.657 4.640 0.015 0.000 0.217 279 D C 0.490 176.818 176.300 0.046 0.000 1.050 279 D CA 0.669 54.698 54.000 0.048 0.000 0.856 279 D CB -0.229 40.601 40.800 0.051 0.000 0.922 279 D HN 0.282 nan 8.370 nan 0.000 0.518 280 S N -1.767 113.964 115.700 0.052 0.000 2.827 280 S HA -0.215 4.264 4.470 0.015 0.000 0.269 280 S C 0.082 174.706 174.600 0.040 0.000 1.323 280 S CA 0.379 58.610 58.200 0.053 0.000 1.176 280 S CB -2.395 60.831 63.200 0.044 0.000 1.436 280 S HN 0.470 nan 8.310 nan 0.000 0.673 281 K N 0.941 121.361 120.400 0.033 0.000 2.098 281 K HA 0.725 5.054 4.320 0.015 0.000 0.244 281 K C 0.138 176.714 176.600 -0.041 0.000 1.014 281 K CA 0.079 56.374 56.287 0.013 0.000 0.917 281 K CB 1.407 33.936 32.500 0.048 0.000 1.072 281 K HN 0.335 nan 8.250 nan 0.000 0.477 282 S N 0.450 116.099 115.700 -0.085 0.000 2.588 282 S HA 0.582 5.060 4.470 0.015 0.000 0.275 282 S C -1.437 173.047 174.600 -0.193 0.000 1.130 282 S CA -0.855 57.227 58.200 -0.198 0.000 0.855 282 S CB 0.832 63.872 63.200 -0.267 0.000 1.116 282 S HN 0.477 nan 8.310 nan 0.000 0.472 283 I N 3.085 123.492 120.570 -0.272 0.000 2.439 283 I HA 0.402 4.581 4.170 0.015 0.000 0.283 283 I C -0.791 175.167 176.117 -0.266 0.000 1.023 283 I CA -0.558 60.559 61.300 -0.304 0.000 1.100 283 I CB 1.726 39.446 38.000 -0.466 0.000 1.238 283 I HN 0.571 nan 8.210 nan 0.000 0.445 284 D N 4.377 124.655 120.400 -0.204 0.000 2.442 284 D HA 0.254 4.902 4.640 0.015 0.000 0.254 284 D C -0.020 176.199 176.300 -0.136 0.000 1.069 284 D CA 0.106 54.011 54.000 -0.158 0.000 1.017 284 D CB 1.143 41.872 40.800 -0.119 0.000 1.172 284 D HN 0.519 nan 8.370 nan 0.000 0.561 285 D N -0.278 120.060 120.400 -0.104 0.000 2.772 285 D HA -0.132 4.517 4.640 0.015 0.000 0.233 285 D C -0.525 175.711 176.300 -0.107 0.000 1.143 285 D CA 0.335 54.282 54.000 -0.088 0.000 0.700 285 D CB -1.455 39.303 40.800 -0.070 0.000 1.076 285 D HN 0.021 nan 8.370 nan 0.000 0.430 286 V N 1.195 121.031 119.914 -0.130 0.000 2.461 286 V HA 0.056 4.185 4.120 0.015 0.000 0.275 286 V C 1.493 177.509 176.094 -0.131 0.000 1.047 286 V CA -0.149 62.060 62.300 -0.151 0.000 0.955 286 V CB 1.702 33.412 31.823 -0.189 0.000 0.988 286 V HN 0.036 nan 8.190 nan 0.000 0.471 287 D N 2.842 123.159 120.400 -0.138 0.000 2.305 287 D HA 0.054 4.703 4.640 0.015 0.000 0.206 287 D C 0.576 176.793 176.300 -0.139 0.000 0.974 287 D CA 0.716 54.638 54.000 -0.130 0.000 0.871 287 D CB 0.931 41.648 40.800 -0.137 0.000 0.947 287 D HN 0.616 nan 8.370 nan 0.000 0.516 288 E N 0.184 120.281 120.200 -0.172 0.000 2.335 288 E HA 0.403 4.761 4.350 0.015 0.000 0.280 288 E C -2.129 174.354 176.600 -0.196 0.000 0.918 288 E CA -0.710 55.590 56.400 -0.166 0.000 0.765 288 E CB 1.858 31.441 29.700 -0.195 0.000 1.218 288 E HN -0.121 nan 8.360 nan 0.000 0.425 289 L N 5.372 126.489 121.223 -0.177 0.000 2.381 289 L HA 0.686 5.035 4.340 0.015 0.000 0.274 289 L C -1.637 175.075 176.870 -0.263 0.000 0.988 289 L CA -0.420 54.255 54.840 -0.275 0.000 0.824 289 L CB 1.257 43.113 42.059 -0.337 0.000 1.263 289 L HN 0.667 nan 8.230 nan 0.000 0.410 290 I N 4.186 124.590 120.570 -0.276 0.000 2.447 290 I HA 0.268 4.447 4.170 0.015 0.000 0.287 290 I C -1.280 174.701 176.117 -0.227 0.000 1.023 290 I CA -0.505 60.705 61.300 -0.150 0.000 1.083 290 I CB 1.376 39.411 38.000 0.059 0.000 1.245 290 I HN 0.624 nan 8.210 nan 0.000 0.434 291 W N 4.738 126.025 121.300 -0.022 0.000 2.335 291 W HA 0.379 5.048 4.660 0.014 0.000 0.306 291 W C 0.491 176.932 176.519 -0.131 0.000 1.216 291 W CA -0.478 56.811 57.345 -0.094 0.000 1.237 291 W CB 1.017 30.354 29.460 -0.204 0.000 1.243 291 W HN 0.443 nan 8.180 nan 0.000 0.493 292 T N 1.075 115.707 114.554 0.131 0.000 3.504 292 T HA 0.288 4.647 4.350 0.015 0.000 0.286 292 T C -0.111 174.615 174.700 0.043 0.000 1.530 292 T CA -0.554 61.569 62.100 0.038 0.000 1.652 292 T CB -0.920 67.948 68.868 0.000 0.000 0.895 292 T HN 0.510 nan 8.240 nan 0.000 0.674 293 I N -1.363 119.234 120.570 0.046 0.000 3.816 293 I HA 0.709 4.888 4.170 0.015 0.000 0.334 293 I C 0.635 176.749 176.117 -0.005 0.000 1.551 293 I CA -0.703 60.620 61.300 0.038 0.000 1.153 293 I CB -0.269 37.765 38.000 0.056 0.000 1.197 293 I HN 0.707 nan 8.210 nan 0.000 0.439 294 G N 1.381 110.170 108.800 -0.017 0.000 2.440 294 G HA2 0.022 3.991 3.960 0.015 0.000 0.684 294 G HA3 0.022 3.991 3.960 0.015 0.000 0.684 294 G C -1.151 173.738 174.900 -0.018 0.000 1.309 294 G CA -1.135 43.955 45.100 -0.017 0.000 0.931 294 G HN 0.366 nan 8.290 nan 0.000 0.612 295 R N -0.093 120.408 120.500 0.001 0.000 2.803 295 R HA 0.697 5.046 4.340 0.015 0.000 0.276 295 R C 0.050 176.369 176.300 0.031 0.000 0.978 295 R CA -0.957 55.156 56.100 0.022 0.000 0.939 295 R CB 2.400 32.725 30.300 0.042 0.000 1.179 295 R HN 0.827 nan 8.270 nan 0.000 0.472 296 K N -0.415 120.015 120.400 0.050 0.000 2.350 296 K HA 0.486 4.815 4.320 0.015 0.000 0.241 296 K C -0.714 175.942 176.600 0.093 0.000 0.994 296 K CA -0.860 55.465 56.287 0.063 0.000 0.839 296 K CB 1.705 34.243 32.500 0.064 0.000 1.244 296 K HN 0.277 nan 8.250 nan 0.000 0.443 297 S N 1.281 117.044 115.700 0.104 0.000 2.549 297 S HA -0.045 4.434 4.470 0.015 0.000 0.283 297 S C -0.347 174.368 174.600 0.193 0.000 1.320 297 S CA -0.337 57.943 58.200 0.132 0.000 1.058 297 S CB -0.105 63.161 63.200 0.111 0.000 0.882 297 S HN 0.563 nan 8.310 nan 0.000 0.498 298 H N 4.093 123.214 119.070 0.085 0.000 2.969 298 H HA 0.395 4.959 4.556 0.014 0.000 0.269 298 H C 0.003 175.393 175.328 0.103 0.000 1.223 298 H CA -0.488 55.624 56.048 0.107 0.000 1.400 298 H CB -0.773 29.050 29.762 0.103 0.000 1.500 298 H HN 0.460 nan 8.280 nan 0.000 0.486 299 L N 2.780 124.210 121.223 0.345 0.000 2.945 299 L HA 0.394 4.743 4.340 0.015 0.000 0.171 299 L C 1.686 178.720 176.870 0.274 0.000 1.669 299 L CA -0.212 54.755 54.840 0.211 0.000 1.963 299 L CB -0.060 42.100 42.059 0.169 0.000 2.719 299 L HN 0.754 nan 8.230 nan 0.000 0.570 300 G N -1.127 107.821 108.800 0.248 0.000 2.176 300 G HA2 -0.218 3.751 3.960 0.015 0.000 0.232 300 G HA3 -0.218 3.751 3.960 0.015 0.000 0.232 300 G C -0.035 175.067 174.900 0.336 0.000 0.986 300 G CA 0.345 45.647 45.100 0.337 0.000 0.643 300 G HN 0.342 nan 8.290 nan 0.000 0.522 301 M N 0.111 119.817 119.600 0.176 0.000 2.116 301 M HA 0.656 5.145 4.480 0.015 0.000 0.235 301 M C 1.518 177.942 176.300 0.206 0.000 1.193 301 M CA 0.340 55.709 55.300 0.115 0.000 0.959 301 M CB 0.334 32.930 32.600 -0.006 0.000 1.313 301 M HN 0.270 nan 8.290 nan 0.000 0.530 302 G N -0.640 108.319 108.800 0.266 0.000 3.639 302 G HA2 0.221 4.190 3.960 0.015 0.000 0.279 302 G HA3 0.221 4.190 3.960 0.015 0.000 0.279 302 G C 0.637 175.709 174.900 0.286 0.000 1.312 302 G CA -0.365 44.902 45.100 0.280 0.000 1.355 302 G HN 0.701 nan 8.290 nan 0.000 0.595 303 S N 1.138 116.981 115.700 0.238 0.000 2.381 303 S HA -0.231 4.248 4.470 0.015 0.000 0.230 303 S C 2.310 176.897 174.600 -0.021 0.000 1.052 303 S CA 2.158 60.405 58.200 0.078 0.000 1.068 303 S CB -0.064 63.180 63.200 0.074 0.000 0.918 303 S HN 0.683 nan 8.310 nan 0.000 0.448 304 E N 2.033 122.251 120.200 0.030 0.000 2.085 304 E HA -0.098 4.260 4.350 0.015 0.000 0.194 304 E C 1.502 178.098 176.600 -0.008 0.000 0.994 304 E CA 1.070 57.475 56.400 0.009 0.000 0.801 304 E CB -0.505 29.215 29.700 0.033 0.000 0.743 304 E HN 0.386 nan 8.360 nan 0.000 0.453 305 N N 0.069 118.782 118.700 0.021 0.000 2.585 305 N HA -0.081 4.668 4.740 0.015 0.000 0.188 305 N C 0.890 176.377 175.510 -0.038 0.000 1.102 305 N CA 0.574 53.637 53.050 0.021 0.000 0.920 305 N CB 0.470 39.008 38.487 0.085 0.000 0.963 305 N HN 0.088 nan 8.380 nan 0.000 0.447 306 V N -1.620 118.216 119.914 -0.129 0.000 3.411 306 V HA 0.282 4.411 4.120 0.015 0.000 0.287 306 V C 1.005 176.983 176.094 -0.192 0.000 1.543 306 V CA 0.706 62.872 62.300 -0.223 0.000 1.028 306 V CB 0.227 31.730 31.823 -0.533 0.000 0.840 306 V HN 0.302 nan 8.190 nan 0.000 0.435 307 G N 1.343 110.060 108.800 -0.138 0.000 2.141 307 G HA2 -0.210 3.759 3.960 0.015 0.000 0.242 307 G HA3 -0.210 3.759 3.960 0.015 0.000 0.242 307 G C 0.119 174.957 174.900 -0.104 0.000 0.982 307 G CA 0.183 45.223 45.100 -0.100 0.000 0.662 307 G HN 0.499 nan 8.290 nan 0.000 0.527 308 I N 1.314 121.803 120.570 -0.135 0.000 2.587 308 I HA 0.103 4.282 4.170 0.015 0.000 0.284 308 I C 1.024 177.109 176.117 -0.055 0.000 1.134 308 I CA 0.399 61.635 61.300 -0.107 0.000 1.410 308 I CB 0.492 38.421 38.000 -0.118 0.000 1.392 308 I HN 0.015 nan 8.210 nan 0.000 0.545 309 K N 7.344 127.720 120.400 -0.041 0.000 2.322 309 K HA 0.464 4.793 4.320 0.015 0.000 0.283 309 K C -0.687 175.908 176.600 -0.008 0.000 1.042 309 K CA -0.367 55.906 56.287 -0.022 0.000 0.958 309 K CB 0.917 33.404 32.500 -0.021 0.000 0.984 309 K HN 0.469 nan 8.250 nan 0.000 0.473 310 L N 2.784 124.007 121.223 -0.000 0.000 2.334 310 L HA 0.308 4.657 4.340 0.015 0.000 0.272 310 L C 0.744 177.618 176.870 0.008 0.000 1.020 310 L CA -0.906 53.942 54.840 0.013 0.000 0.812 310 L CB 1.382 43.454 42.059 0.022 0.000 1.264 310 L HN 0.795 nan 8.230 nan 0.000 0.439 311 N N -0.778 117.933 118.700 0.018 0.000 2.374 311 N HA 0.060 4.809 4.740 0.015 0.000 0.284 311 N C 0.803 176.299 175.510 -0.023 0.000 1.280 311 N CA -0.168 52.885 53.050 0.006 0.000 0.963 311 N CB 0.598 39.105 38.487 0.034 0.000 1.141 311 N HN 0.630 nan 8.380 nan 0.000 0.565 312 S N -1.659 113.987 115.700 -0.089 0.000 2.555 312 S HA -0.081 4.398 4.470 0.015 0.000 0.230 312 S C 0.610 175.044 174.600 -0.277 0.000 0.978 312 S CA 0.385 58.472 58.200 -0.188 0.000 0.934 312 S CB -0.687 62.355 63.200 -0.262 0.000 0.766 312 S HN 0.624 nan 8.310 nan 0.000 0.533 313 H N 0.924 119.997 119.070 0.005 0.000 2.542 313 H HA 0.325 4.890 4.556 0.015 0.000 0.283 313 H C -0.235 175.104 175.328 0.018 0.000 1.059 313 H CA -0.143 55.910 56.048 0.009 0.000 1.162 313 H CB 0.220 29.987 29.762 0.008 0.000 1.539 313 H HN 0.263 nan 8.280 nan 0.000 0.543 314 D N 1.232 121.687 120.400 0.093 0.000 2.800 314 D HA -0.179 4.469 4.640 0.015 0.000 0.232 314 D C -0.533 175.821 176.300 0.090 0.000 1.137 314 D CA 0.681 54.728 54.000 0.078 0.000 0.718 314 D CB -0.604 40.242 40.800 0.076 0.000 1.084 314 D HN 0.601 nan 8.370 nan 0.000 0.432 315 Q N -0.212 119.644 119.800 0.092 0.000 2.266 315 Q HA 0.602 4.951 4.340 0.015 0.000 0.261 315 Q C 0.598 176.633 176.000 0.059 0.000 0.985 315 Q CA -0.769 55.082 55.803 0.079 0.000 0.873 315 Q CB 1.764 30.549 28.738 0.080 0.000 1.306 315 Q HN 0.232 nan 8.270 nan 0.000 0.447 316 I N 2.286 122.888 120.570 0.054 0.000 2.556 316 I HA 0.030 4.209 4.170 0.015 0.000 0.284 316 I C 0.021 176.157 176.117 0.031 0.000 1.114 316 I CA 0.074 61.398 61.300 0.040 0.000 1.418 316 I CB 0.323 38.350 38.000 0.046 0.000 1.394 316 I HN 0.388 nan 8.210 nan 0.000 0.552 317 I N 5.917 126.498 120.570 0.019 0.000 2.474 317 I HA 0.468 4.646 4.170 0.015 0.000 0.287 317 I C 0.339 176.465 176.117 0.014 0.000 1.048 317 I CA 0.073 61.379 61.300 0.011 0.000 1.383 317 I CB 1.028 39.030 38.000 0.004 0.000 1.412 317 I HN 0.642 nan 8.210 nan 0.000 0.531 318 A N 4.632 127.458 122.820 0.010 0.000 2.520 318 A HA 0.570 4.899 4.320 0.015 0.000 0.298 318 A C -0.975 176.615 177.584 0.011 0.000 1.051 318 A CA -0.820 51.234 52.037 0.029 0.000 0.690 318 A CB 1.299 20.328 19.000 0.049 0.000 1.281 318 A HN 0.734 nan 8.150 nan 0.000 0.402 319 D N 0.577 121.003 120.400 0.043 0.000 2.447 319 D HA 0.122 4.771 4.640 0.015 0.000 0.265 319 D C 1.069 177.367 176.300 -0.003 0.000 1.250 319 D CA 0.163 54.182 54.000 0.030 0.000 1.046 319 D CB 0.223 41.075 40.800 0.087 0.000 1.095 319 D HN 0.690 nan 8.370 nan 0.000 0.555 320 E N -1.068 119.089 120.200 -0.070 0.000 2.333 320 E HA -0.244 4.115 4.350 0.015 0.000 0.198 320 E C 0.648 177.065 176.600 -0.306 0.000 1.007 320 E CA 0.989 57.263 56.400 -0.211 0.000 0.845 320 E CB -0.575 28.930 29.700 -0.324 0.000 0.766 320 E HN 0.593 nan 8.360 nan 0.000 0.507 321 Y N 0.870 121.214 120.300 0.072 0.000 2.571 321 Y HA 0.149 4.707 4.550 0.014 0.000 0.275 321 Y C 0.220 176.186 175.900 0.110 0.000 1.179 321 Y CA -0.370 57.777 58.100 0.078 0.000 1.242 321 Y CB 0.579 39.075 38.460 0.061 0.000 1.126 321 Y HN -0.105 nan 8.280 nan 0.000 0.524 322 Q N -1.101 118.820 119.800 0.201 0.000 2.481 322 Q HA -0.241 4.108 4.340 0.015 0.000 0.258 322 Q C -1.135 175.034 176.000 0.282 0.000 0.961 322 Q CA 0.540 56.469 55.803 0.210 0.000 1.121 322 Q CB -2.387 26.479 28.738 0.213 0.000 1.503 322 Q HN 0.498 nan 8.270 nan 0.000 0.544 323 N N 1.918 120.780 118.700 0.269 0.000 2.458 323 N HA 0.154 4.902 4.740 0.015 0.000 0.270 323 N C 0.826 176.388 175.510 0.087 0.000 1.102 323 N CA 0.672 53.848 53.050 0.211 0.000 0.967 323 N CB 1.061 39.657 38.487 0.181 0.000 1.078 323 N HN 0.388 nan 8.380 nan 0.000 0.471 324 T N -0.953 113.606 114.554 0.008 0.000 2.729 324 T HA 0.044 4.403 4.350 0.015 0.000 0.298 324 T C 1.436 176.113 174.700 -0.038 0.000 1.013 324 T CA -0.542 61.545 62.100 -0.020 0.000 0.957 324 T CB 0.430 69.264 68.868 -0.057 0.000 1.130 324 T HN 0.548 nan 8.240 nan 0.000 0.526 325 N N -0.371 118.303 118.700 -0.044 0.000 2.512 325 N HA -0.047 4.702 4.740 0.015 0.000 0.183 325 N C 0.117 175.586 175.510 -0.068 0.000 1.073 325 N CA 0.191 53.215 53.050 -0.043 0.000 0.911 325 N CB -0.463 38.001 38.487 -0.038 0.000 0.964 325 N HN 0.407 nan 8.380 nan 0.000 0.447 326 V N 2.388 122.239 119.914 -0.106 0.000 2.407 326 V HA 0.302 4.431 4.120 0.015 0.000 0.278 326 V C -2.172 173.832 176.094 -0.151 0.000 1.037 326 V CA -1.765 60.458 62.300 -0.130 0.000 0.900 326 V CB 1.123 32.840 31.823 -0.177 0.000 0.983 326 V HN 0.001 nan 8.190 nan 0.000 0.459 327 P HA 0.077 nan 4.420 nan 0.000 0.262 327 P C 0.428 177.651 177.300 -0.129 0.000 1.182 327 P CA 0.511 63.556 63.100 -0.091 0.000 0.761 327 P CB 0.119 31.793 31.700 -0.044 0.000 0.795 328 N N 0.296 118.903 118.700 -0.155 0.000 2.828 328 N HA -0.171 4.578 4.740 0.015 0.000 0.248 328 N C -0.482 174.779 175.510 -0.414 0.000 1.044 328 N CA 1.043 54.016 53.050 -0.129 0.000 0.851 328 N CB -1.446 37.052 38.487 0.019 0.000 1.136 328 N HN 0.447 nan 8.380 nan 0.000 0.572 329 I N 0.965 121.148 120.570 -0.645 0.000 2.418 329 I HA 0.328 4.507 4.170 0.015 0.000 0.287 329 I C -0.307 175.424 176.117 -0.644 0.000 1.008 329 I CA -0.677 60.347 61.300 -0.461 0.000 1.104 329 I CB 0.967 38.835 38.000 -0.220 0.000 1.264 329 I HN -0.144 nan 8.210 nan 0.000 0.438 330 Y N 3.368 123.758 120.300 0.150 0.000 2.587 330 Y HA 0.685 5.244 4.550 0.014 0.000 0.337 330 Y C 0.363 176.331 175.900 0.114 0.000 1.065 330 Y CA -1.040 57.138 58.100 0.131 0.000 1.126 330 Y CB 1.906 40.462 38.460 0.159 0.000 1.279 330 Y HN 0.451 nan 8.280 nan 0.000 0.489 331 S N 1.018 116.863 115.700 0.242 0.000 2.550 331 S HA 0.866 5.345 4.470 0.015 0.000 0.270 331 S C -1.856 172.833 174.600 0.148 0.000 1.145 331 S CA -0.592 57.704 58.200 0.160 0.000 0.852 331 S CB 0.889 64.151 63.200 0.104 0.000 1.119 331 S HN 0.699 nan 8.310 nan 0.000 0.465 332 L N 0.770 122.066 121.223 0.122 0.000 2.892 332 L HA 1.031 5.380 4.340 0.015 0.000 0.269 332 L C 0.231 177.162 176.870 0.102 0.000 1.058 332 L CA 0.065 54.981 54.840 0.126 0.000 0.923 332 L CB 0.421 42.566 42.059 0.143 0.000 1.518 332 L HN 1.379 nan 8.230 nan 0.000 0.402 333 G N 0.034 108.905 108.800 0.118 0.000 2.584 333 G HA2 -0.188 3.781 3.960 0.015 0.000 0.229 333 G HA3 -0.188 3.781 3.960 0.015 0.000 0.229 333 G C 0.010 174.966 174.900 0.094 0.000 1.320 333 G CA 0.500 45.659 45.100 0.098 0.000 0.891 333 G HN 0.968 nan 8.290 nan 0.000 0.573 334 D N -0.662 119.789 120.400 0.085 0.000 2.182 334 D HA -0.049 4.600 4.640 0.015 0.000 0.201 334 D C 2.538 178.887 176.300 0.082 0.000 0.986 334 D CA 1.398 55.450 54.000 0.087 0.000 0.847 334 D CB -0.309 40.547 40.800 0.093 0.000 0.942 334 D HN 0.506 nan 8.370 nan 0.000 0.467 335 V N 0.188 120.148 119.914 0.077 0.000 2.469 335 V HA -0.222 3.907 4.120 0.015 0.000 0.251 335 V C 2.147 178.282 176.094 0.068 0.000 1.064 335 V CA 1.353 63.699 62.300 0.076 0.000 1.066 335 V CB -0.037 31.821 31.823 0.058 0.000 0.667 335 V HN 0.054 nan 8.190 nan 0.000 0.461 336 V N -0.025 119.927 119.914 0.063 0.000 2.446 336 V HA 0.266 4.395 4.120 0.015 0.000 0.244 336 V C 1.991 178.107 176.094 0.036 0.000 1.039 336 V CA 1.480 63.808 62.300 0.047 0.000 1.045 336 V CB -0.485 31.362 31.823 0.041 0.000 0.681 336 V HN 0.796 nan 8.190 nan 0.000 0.459 337 G N 0.494 109.323 108.800 0.048 0.000 2.141 337 G HA2 -0.279 3.690 3.960 0.015 0.000 0.231 337 G HA3 -0.279 3.690 3.960 0.015 0.000 0.231 337 G C 0.221 175.136 174.900 0.025 0.000 0.984 337 G CA 0.290 45.414 45.100 0.040 0.000 0.660 337 G HN 0.501 nan 8.290 nan 0.000 0.525 338 K N 1.175 121.585 120.400 0.017 0.000 2.267 338 K HA 0.531 4.860 4.320 0.015 0.000 0.282 338 K C 0.893 177.574 176.600 0.136 0.000 1.078 338 K CA -0.132 56.148 56.287 -0.012 0.000 0.903 338 K CB 0.750 33.114 32.500 -0.227 0.000 1.111 338 K HN 0.759 nan 8.250 nan 0.000 0.475 339 V N 4.039 124.023 119.914 0.117 0.000 5.574 339 V HA -0.216 3.913 4.120 0.015 0.000 0.296 339 V C -0.379 175.794 176.094 0.132 0.000 0.678 339 V CA 0.948 63.330 62.300 0.137 0.000 1.093 339 V CB -1.288 30.663 31.823 0.213 0.000 1.279 339 V HN 0.919 nan 8.190 nan 0.000 0.446 340 E N 4.439 124.705 120.200 0.110 0.000 1.775 340 E HA 0.489 4.848 4.350 0.015 0.000 0.266 340 E C -0.110 176.564 176.600 0.123 0.000 1.191 340 E CA -0.111 56.362 56.400 0.121 0.000 1.048 340 E CB 0.413 30.192 29.700 0.132 0.000 1.081 340 E HN 0.645 nan 8.360 nan 0.000 0.434 341 L N 0.385 121.663 121.223 0.091 0.000 2.424 341 L HA 0.232 4.581 4.340 0.015 0.000 0.258 341 L C 1.307 178.210 176.870 0.055 0.000 0.995 341 L CA -0.696 54.184 54.840 0.067 0.000 0.821 341 L CB 2.041 44.115 42.059 0.025 0.000 1.383 341 L HN 0.128 nan 8.230 nan 0.000 0.410 342 T N 0.659 115.245 114.554 0.053 0.000 2.708 342 T HA -0.060 4.299 4.350 0.015 0.000 0.266 342 T C -1.172 173.541 174.700 0.022 0.000 1.037 342 T CA 1.789 63.914 62.100 0.041 0.000 1.146 342 T CB -0.490 68.406 68.868 0.047 0.000 0.865 342 T HN 0.464 nan 8.240 nan 0.000 0.435 343 P HA 0.019 nan 4.420 nan 0.000 0.220 343 P C 1.510 178.787 177.300 -0.038 0.000 1.148 343 P CA 0.504 63.598 63.100 -0.010 0.000 0.803 343 P CB -0.135 31.558 31.700 -0.013 0.000 0.782 344 V N 0.288 120.177 119.914 -0.043 0.000 2.307 344 V HA -0.216 3.913 4.120 0.015 0.000 0.245 344 V C 2.497 178.552 176.094 -0.065 0.000 1.045 344 V CA 2.214 64.456 62.300 -0.098 0.000 1.024 344 V CB -1.727 30.053 31.823 -0.071 0.000 0.651 344 V HN 0.095 nan 8.190 nan 0.000 0.449 345 A N -0.024 122.797 122.820 0.002 0.000 1.902 345 A HA -0.179 4.150 4.320 0.015 0.000 0.217 345 A C 2.199 179.789 177.584 0.010 0.000 1.181 345 A CA 1.939 53.993 52.037 0.027 0.000 0.623 345 A CB -0.582 18.442 19.000 0.040 0.000 0.818 345 A HN 0.487 nan 8.150 nan 0.000 0.443 346 I N -0.256 120.314 120.570 0.000 0.000 2.163 346 I HA -0.325 3.854 4.170 0.015 0.000 0.243 346 I C 2.995 179.101 176.117 -0.019 0.000 1.085 346 I CA 1.244 62.543 61.300 -0.002 0.000 1.347 346 I CB -0.317 37.684 38.000 0.002 0.000 1.044 346 I HN 0.373 nan 8.210 nan 0.000 0.408 347 A N 0.507 123.300 122.820 -0.045 0.000 1.877 347 A HA -0.148 4.181 4.320 0.015 0.000 0.216 347 A C 2.519 180.065 177.584 -0.063 0.000 1.186 347 A CA 1.811 53.808 52.037 -0.067 0.000 0.620 347 A CB -0.912 18.026 19.000 -0.103 0.000 0.822 347 A HN 0.438 nan 8.150 nan 0.000 0.443 348 A N -0.531 122.252 122.820 -0.062 0.000 1.933 348 A HA 0.128 4.457 4.320 0.015 0.000 0.218 348 A C 2.364 179.962 177.584 0.023 0.000 1.175 348 A CA 1.898 53.927 52.037 -0.012 0.000 0.628 348 A CB -1.281 17.746 19.000 0.044 0.000 0.814 348 A HN 0.709 nan 8.150 nan 0.000 0.444 349 G N -0.683 108.133 108.800 0.027 0.000 2.402 349 G HA2 -0.191 3.778 3.960 0.015 0.000 0.216 349 G HA3 -0.191 3.778 3.960 0.015 0.000 0.216 349 G C 1.785 176.705 174.900 0.033 0.000 1.162 349 G CA 0.862 45.992 45.100 0.051 0.000 0.777 349 G HN 0.546 nan 8.290 nan 0.000 0.539 350 R N 0.248 120.745 120.500 -0.004 0.000 2.066 350 R HA 0.042 4.391 4.340 0.015 0.000 0.232 350 R C 2.643 178.908 176.300 -0.057 0.000 1.131 350 R CA 1.375 57.454 56.100 -0.034 0.000 0.955 350 R CB -0.178 30.085 30.300 -0.062 0.000 0.851 350 R HN 0.256 nan 8.270 nan 0.000 0.432 351 K N 0.305 120.671 120.400 -0.056 0.000 2.148 351 K HA -0.128 4.201 4.320 0.015 0.000 0.204 351 K C 1.970 178.539 176.600 -0.053 0.000 1.050 351 K CA 0.828 57.078 56.287 -0.063 0.000 0.942 351 K CB -0.158 32.327 32.500 -0.025 0.000 0.724 351 K HN 0.029 nan 8.250 nan 0.000 0.446 352 L N 1.036 122.234 121.223 -0.041 0.000 2.017 352 L HA -0.160 4.189 4.340 0.015 0.000 0.208 352 L C 1.971 178.712 176.870 -0.215 0.000 1.073 352 L CA 1.837 56.613 54.840 -0.106 0.000 0.745 352 L CB -0.581 41.439 42.059 -0.065 0.000 0.894 352 L HN -0.034 nan 8.230 nan 0.000 0.432 353 S N 0.012 115.647 115.700 -0.107 0.000 2.383 353 S HA -0.134 4.345 4.470 0.015 0.000 0.227 353 S C 1.718 176.328 174.600 0.015 0.000 1.026 353 S CA 1.127 59.304 58.200 -0.039 0.000 0.981 353 S CB -0.518 62.757 63.200 0.125 0.000 0.818 353 S HN 0.550 nan 8.310 nan 0.000 0.472 354 N N 1.503 120.193 118.700 -0.016 0.000 2.069 354 N HA -0.122 4.627 4.740 0.015 0.000 0.191 354 N C 1.750 177.158 175.510 -0.170 0.000 1.031 354 N CA 1.097 54.064 53.050 -0.138 0.000 0.852 354 N CB -0.376 37.840 38.487 -0.451 0.000 1.018 354 N HN 0.438 nan 8.380 nan 0.000 0.423 355 R N 0.699 121.104 120.500 -0.159 0.000 2.075 355 R HA 0.048 4.397 4.340 0.015 0.000 0.232 355 R C 2.072 178.153 176.300 -0.365 0.000 1.126 355 R CA 0.843 56.841 56.100 -0.171 0.000 0.963 355 R CB -0.177 30.048 30.300 -0.124 0.000 0.858 355 R HN 0.166 nan 8.270 nan 0.000 0.435 356 L N -0.706 120.142 121.223 -0.625 0.000 2.095 356 L HA -0.009 4.340 4.340 0.015 0.000 0.204 356 L C 1.236 177.428 176.870 -1.131 0.000 1.080 356 L CA 1.006 55.177 54.840 -1.115 0.000 0.759 356 L CB -0.017 40.911 42.059 -1.884 0.000 0.914 356 L HN 0.208 nan 8.230 nan 0.000 0.439 357 F N -1.261 118.491 119.950 -0.329 0.000 2.767 357 F HA 0.336 4.873 4.527 0.017 0.000 0.323 357 F C 1.408 176.893 175.800 -0.525 0.000 1.091 357 F CA -0.604 57.228 58.000 -0.280 0.000 1.192 357 F CB -0.546 38.376 39.000 -0.131 0.000 1.056 357 F HN -0.157 nan 8.300 nan 0.000 0.571 358 G N 1.350 109.748 108.800 -0.670 0.000 2.563 358 G HA2 0.427 4.396 3.960 0.015 0.000 0.283 358 G HA3 0.427 4.396 3.960 0.015 0.000 0.283 358 G C -2.286 172.369 174.900 -0.409 0.000 1.309 358 G CA -1.116 43.269 45.100 -1.192 0.000 1.022 358 G HN -0.172 nan 8.290 nan 0.000 0.501 359 P HA 0.065 nan 4.420 nan 0.000 0.270 359 P C 0.612 177.865 177.300 -0.079 0.000 1.223 359 P CA -0.132 62.923 63.100 -0.074 0.000 0.785 359 P CB 1.246 32.937 31.700 -0.016 0.000 0.923 360 E N 1.256 121.397 120.200 -0.098 0.000 2.136 360 E HA -0.297 4.062 4.350 0.015 0.000 0.202 360 E C 1.841 178.351 176.600 -0.150 0.000 1.019 360 E CA 1.705 58.042 56.400 -0.105 0.000 0.819 360 E CB -0.124 29.523 29.700 -0.089 0.000 0.739 360 E HN 0.386 nan 8.360 nan 0.000 0.458 361 K N -0.599 119.648 120.400 -0.256 0.000 2.148 361 K HA -0.211 4.117 4.320 0.015 0.000 0.213 361 K C 1.128 177.450 176.600 -0.463 0.000 1.050 361 K CA 1.966 57.981 56.287 -0.453 0.000 0.932 361 K CB -0.263 31.756 32.500 -0.802 0.000 0.717 361 K HN 0.188 nan 8.250 nan 0.000 0.462 362 F N 0.713 120.622 119.950 -0.067 0.000 2.660 362 F HA 0.178 4.714 4.527 0.016 0.000 0.297 362 F C 1.508 177.261 175.800 -0.079 0.000 1.132 362 F CA -0.495 57.470 58.000 -0.058 0.000 1.372 362 F CB 0.239 39.201 39.000 -0.063 0.000 1.003 362 F HN 0.022 nan 8.300 nan 0.000 0.524 363 R N -0.369 120.142 120.500 0.018 0.000 2.285 363 R HA -0.010 4.339 4.340 0.015 0.000 0.213 363 R C 0.252 176.524 176.300 -0.047 0.000 1.068 363 R CA 1.109 57.183 56.100 -0.044 0.000 1.004 363 R CB -0.275 29.977 30.300 -0.079 0.000 0.873 363 R HN 0.148 nan 8.270 nan 0.000 0.467 364 N N 0.976 119.699 118.700 0.038 0.000 2.416 364 N HA 0.056 4.804 4.740 0.015 0.000 0.267 364 N C -1.203 174.481 175.510 0.290 0.000 1.294 364 N CA -0.221 52.909 53.050 0.133 0.000 0.891 364 N CB 0.682 39.237 38.487 0.113 0.000 1.238 364 N HN 0.166 nan 8.380 nan 0.000 0.508 365 D N 2.177 122.722 120.400 0.240 0.000 2.350 365 D HA 0.182 4.831 4.640 0.015 0.000 0.249 365 D C -0.043 176.388 176.300 0.218 0.000 1.119 365 D CA 0.463 54.597 54.000 0.223 0.000 0.886 365 D CB 0.716 41.645 40.800 0.215 0.000 1.195 365 D HN 0.221 nan 8.370 nan 0.000 0.437 366 K N 1.463 121.933 120.400 0.117 0.000 2.597 366 K HA 0.435 4.764 4.320 0.015 0.000 0.282 366 K C -1.612 174.989 176.600 0.001 0.000 0.975 366 K CA -1.065 55.239 56.287 0.028 0.000 0.867 366 K CB 0.839 33.232 32.500 -0.178 0.000 1.465 366 K HN 0.228 nan 8.250 nan 0.000 0.417 367 L N 1.778 122.997 121.223 -0.007 0.000 2.326 367 L HA 0.308 4.657 4.340 0.015 0.000 0.278 367 L C -0.649 176.200 176.870 -0.035 0.000 1.092 367 L CA 0.320 55.101 54.840 -0.097 0.000 0.810 367 L CB 1.021 42.890 42.059 -0.316 0.000 1.153 367 L HN 0.731 nan 8.230 nan 0.000 0.439 368 D N 3.209 123.576 120.400 -0.056 0.000 2.336 368 D HA 0.025 4.674 4.640 0.015 0.000 0.249 368 D C 0.088 176.371 176.300 -0.029 0.000 1.213 368 D CA 0.256 54.263 54.000 0.011 0.000 0.870 368 D CB 0.435 41.236 40.800 0.002 0.000 1.076 368 D HN 0.502 nan 8.370 nan 0.000 0.483 369 Y N 1.744 122.031 120.300 -0.023 0.000 2.490 369 Y HA 0.079 4.638 4.550 0.015 0.000 0.281 369 Y C 0.937 176.829 175.900 -0.013 0.000 1.174 369 Y CA 0.111 58.201 58.100 -0.017 0.000 1.295 369 Y CB 0.284 38.732 38.460 -0.021 0.000 1.062 369 Y HN 0.284 nan 8.280 nan 0.000 0.522 370 E N 0.406 120.673 120.200 0.113 0.000 2.313 370 E HA 0.083 4.442 4.350 0.015 0.000 0.272 370 E C -0.097 176.529 176.600 0.043 0.000 1.038 370 E CA -0.385 56.057 56.400 0.070 0.000 0.863 370 E CB 0.508 30.242 29.700 0.057 0.000 1.060 370 E HN 0.302 nan 8.360 nan 0.000 0.402 371 N N -0.313 118.411 118.700 0.040 0.000 2.740 371 N HA -0.170 4.579 4.740 0.015 0.000 0.248 371 N C -0.900 174.620 175.510 0.018 0.000 1.062 371 N CA -0.164 52.904 53.050 0.031 0.000 0.704 371 N CB -0.673 37.834 38.487 0.034 0.000 0.968 371 N HN 0.123 nan 8.380 nan 0.000 0.547 372 V N 1.564 121.485 119.914 0.012 0.000 2.455 372 V HA 0.263 4.392 4.120 0.015 0.000 0.273 372 V C -1.250 174.845 176.094 0.002 0.000 1.045 372 V CA -0.927 61.370 62.300 -0.005 0.000 0.976 372 V CB 0.937 32.752 31.823 -0.014 0.000 0.993 372 V HN 0.094 nan 8.190 nan 0.000 0.475 373 P HA 0.310 nan 4.420 nan 0.000 0.275 373 P C -0.724 176.570 177.300 -0.009 0.000 1.228 373 P CA -0.143 62.959 63.100 0.003 0.000 0.786 373 P CB 1.351 33.052 31.700 0.000 0.000 0.927 374 S N 0.767 116.467 115.700 -0.001 0.000 2.564 374 S HA 0.667 5.146 4.470 0.015 0.000 0.274 374 S C -0.951 173.610 174.600 -0.066 0.000 1.124 374 S CA -0.691 57.490 58.200 -0.031 0.000 0.869 374 S CB 1.333 64.530 63.200 -0.005 0.000 1.105 374 S HN 0.210 nan 8.310 nan 0.000 0.472 375 V N 1.833 121.638 119.914 -0.181 0.000 2.823 375 V HA 0.593 4.721 4.120 0.015 0.000 0.312 375 V C -0.903 174.939 176.094 -0.419 0.000 1.072 375 V CA -0.829 61.269 62.300 -0.336 0.000 0.937 375 V CB 1.853 33.382 31.823 -0.491 0.000 1.013 375 V HN 0.938 nan 8.190 nan 0.000 0.430 376 I N 3.205 123.495 120.570 -0.466 0.000 2.382 376 I HA 0.377 4.556 4.170 0.015 0.000 0.286 376 I C -0.828 175.051 176.117 -0.396 0.000 1.002 376 I CA -0.196 60.899 61.300 -0.341 0.000 1.135 376 I CB 1.522 39.324 38.000 -0.330 0.000 1.288 376 I HN 0.458 nan 8.210 nan 0.000 0.448 377 F N 5.004 124.856 119.950 -0.163 0.000 2.733 377 F HA 0.147 4.683 4.527 0.016 0.000 0.344 377 F C 1.345 177.175 175.800 0.049 0.000 1.179 377 F CA -0.288 57.517 58.000 -0.325 0.000 1.316 377 F CB -0.294 38.284 39.000 -0.702 0.000 1.577 377 F HN 0.442 nan 8.300 nan 0.000 0.591 378 S N -1.198 114.657 115.700 0.259 0.000 2.646 378 S HA 0.266 4.745 4.470 0.015 0.000 0.273 378 S C -0.360 174.611 174.600 0.620 0.000 1.168 378 S CA -0.646 57.812 58.200 0.431 0.000 1.013 378 S CB 0.950 64.275 63.200 0.207 0.000 1.098 378 S HN 0.502 nan 8.310 nan 0.000 0.544 379 H N 1.838 121.228 119.070 0.533 0.000 2.887 379 H HA 0.414 4.979 4.556 0.015 0.000 0.300 379 H C -2.928 172.656 175.328 0.428 0.000 1.038 379 H CA -2.024 54.287 56.048 0.438 0.000 1.352 379 H CB 1.433 31.391 29.762 0.327 0.000 1.473 379 H HN 0.457 nan 8.280 nan 0.000 0.503 380 P HA 0.051 nan 4.420 nan 0.000 0.274 380 P C -0.125 177.236 177.300 0.101 0.000 1.246 380 P CA -0.378 62.704 63.100 -0.031 0.000 0.795 380 P CB 1.587 33.179 31.700 -0.180 0.000 1.006 381 E N 0.560 120.845 120.200 0.141 0.000 2.425 381 E HA 0.416 4.775 4.350 0.015 0.000 0.258 381 E C -0.592 175.943 176.600 -0.109 0.000 1.151 381 E CA -0.691 55.701 56.400 -0.013 0.000 0.958 381 E CB 0.293 29.927 29.700 -0.111 0.000 0.968 381 E HN 0.508 nan 8.360 nan 0.000 0.451 382 A N 0.905 123.597 122.820 -0.213 0.000 2.515 382 A HA 0.765 5.094 4.320 0.015 0.000 0.296 382 A C -0.514 176.932 177.584 -0.230 0.000 1.094 382 A CA -0.211 51.711 52.037 -0.192 0.000 0.718 382 A CB 2.171 21.034 19.000 -0.227 0.000 1.307 382 A HN 0.736 nan 8.150 nan 0.000 0.408 383 G N -0.672 108.047 108.800 -0.135 0.000 2.659 383 G HA2 0.664 4.633 3.960 0.015 0.000 0.296 383 G HA3 0.664 4.633 3.960 0.015 0.000 0.296 383 G C -1.111 173.805 174.900 0.027 0.000 1.369 383 G CA 0.055 45.096 45.100 -0.097 0.000 0.937 383 G HN 1.414 nan 8.290 nan 0.000 0.485 384 S N -0.167 115.592 115.700 0.098 0.000 2.533 384 S HA 0.747 5.226 4.470 0.015 0.000 0.271 384 S C -1.518 173.157 174.600 0.125 0.000 1.143 384 S CA -0.621 57.717 58.200 0.230 0.000 0.891 384 S CB 1.336 64.840 63.200 0.508 0.000 1.105 384 S HN 1.024 nan 8.310 nan 0.000 0.468 385 I N 3.120 123.719 120.570 0.049 0.000 2.752 385 I HA 0.675 4.853 4.170 0.015 0.000 0.295 385 I C 0.182 176.301 176.117 0.004 0.000 1.219 385 I CA 0.667 61.982 61.300 0.025 0.000 1.030 385 I CB 1.463 39.468 38.000 0.008 0.000 1.259 385 I HN 1.157 nan 8.210 nan 0.000 0.423 386 G N 6.092 114.920 108.800 0.046 0.000 2.584 386 G HA2 -0.178 3.791 3.960 0.015 0.000 0.229 386 G HA3 -0.178 3.791 3.960 0.015 0.000 0.229 386 G C -0.680 174.302 174.900 0.137 0.000 1.320 386 G CA -0.059 45.078 45.100 0.061 0.000 0.891 386 G HN 1.221 nan 8.290 nan 0.000 0.573 387 I N -1.253 119.412 120.570 0.158 0.000 2.676 387 I HA 0.770 4.949 4.170 0.015 0.000 0.309 387 I C 0.846 177.135 176.117 0.288 0.000 0.990 387 I CA -0.232 61.172 61.300 0.172 0.000 1.168 387 I CB 1.921 39.995 38.000 0.123 0.000 1.343 387 I HN 1.116 nan 8.210 nan 0.000 0.482 388 S N 1.809 117.580 115.700 0.119 0.000 2.624 388 S HA 0.113 4.592 4.470 0.015 0.000 0.263 388 S C 0.902 175.554 174.600 0.088 0.000 1.287 388 S CA -0.019 58.189 58.200 0.014 0.000 0.990 388 S CB 1.357 64.493 63.200 -0.107 0.000 0.950 388 S HN 0.906 nan 8.310 nan 0.000 0.561 389 E N 0.949 121.185 120.200 0.060 0.000 2.085 389 E HA -0.208 4.151 4.350 0.015 0.000 0.194 389 E C 1.806 178.435 176.600 0.048 0.000 0.994 389 E CA 1.351 57.791 56.400 0.066 0.000 0.801 389 E CB -0.155 29.573 29.700 0.046 0.000 0.743 389 E HN 0.702 nan 8.360 nan 0.000 0.453 390 K N 0.113 120.527 120.400 0.023 0.000 2.057 390 K HA -0.150 4.178 4.320 0.015 0.000 0.206 390 K C 2.133 178.747 176.600 0.023 0.000 1.050 390 K CA 1.551 57.847 56.287 0.016 0.000 0.935 390 K CB -0.021 32.479 32.500 0.000 0.000 0.715 390 K HN 0.212 nan 8.250 nan 0.000 0.439 391 E N 0.470 120.686 120.200 0.026 0.000 2.072 391 E HA -0.166 4.193 4.350 0.015 0.000 0.191 391 E C 2.024 178.659 176.600 0.058 0.000 0.985 391 E CA 1.008 57.424 56.400 0.026 0.000 0.801 391 E CB -0.080 29.635 29.700 0.024 0.000 0.750 391 E HN 0.302 nan 8.360 nan 0.000 0.452 392 A N 1.284 124.174 122.820 0.116 0.000 1.877 392 A HA -0.169 4.160 4.320 0.015 0.000 0.216 392 A C 2.201 179.909 177.584 0.206 0.000 1.186 392 A CA 1.090 53.264 52.037 0.228 0.000 0.620 392 A CB -0.612 18.510 19.000 0.203 0.000 0.822 392 A HN 0.132 nan 8.150 nan 0.000 0.443 393 I N -0.569 120.069 120.570 0.113 0.000 2.208 393 I HA -0.252 3.927 4.170 0.015 0.000 0.245 393 I C 2.550 178.700 176.117 0.055 0.000 1.097 393 I CA 1.813 63.161 61.300 0.081 0.000 1.363 393 I CB -0.240 37.788 38.000 0.046 0.000 1.051 393 I HN 0.407 nan 8.210 nan 0.000 0.413 394 E N 1.448 121.665 120.200 0.029 0.000 2.106 394 E HA -0.254 4.105 4.350 0.015 0.000 0.192 394 E C 2.085 178.659 176.600 -0.043 0.000 0.984 394 E CA 1.569 57.966 56.400 -0.005 0.000 0.806 394 E CB -0.078 29.615 29.700 -0.013 0.000 0.750 394 E HN 0.309 nan 8.360 nan 0.000 0.458 395 K N -1.676 118.674 120.400 -0.083 0.000 2.137 395 K HA -0.063 4.266 4.320 0.015 0.000 0.202 395 K C 1.050 177.448 176.600 -0.337 0.000 1.052 395 K CA 0.981 57.107 56.287 -0.270 0.000 0.961 395 K CB 0.012 32.241 32.500 -0.453 0.000 0.741 395 K HN 0.186 nan 8.250 nan 0.000 0.452 396 Y N -0.581 119.720 120.300 0.001 0.000 2.444 396 Y HA 0.312 4.871 4.550 0.015 0.000 0.252 396 Y C 0.386 176.286 175.900 -0.001 0.000 1.091 396 Y CA 0.211 58.311 58.100 0.000 0.000 1.276 396 Y CB 1.580 40.040 38.460 0.001 0.000 1.170 396 Y HN 0.182 nan 8.280 nan 0.000 0.517 397 G N 1.113 109.992 108.800 0.131 0.000 2.895 397 G HA2 -0.194 3.775 3.960 0.015 0.000 0.686 397 G HA3 -0.194 3.775 3.960 0.015 0.000 0.686 397 G C 0.471 175.413 174.900 0.071 0.000 1.108 397 G CA -0.393 44.754 45.100 0.078 0.000 0.761 397 G HN -0.025 nan 8.290 nan 0.000 0.611 398 K N 1.116 121.542 120.400 0.043 0.000 2.077 398 K HA -0.223 4.106 4.320 0.015 0.000 0.213 398 K C 2.418 179.028 176.600 0.017 0.000 1.051 398 K CA 2.619 58.922 56.287 0.026 0.000 0.929 398 K CB -0.157 32.351 32.500 0.015 0.000 0.715 398 K HN 0.765 nan 8.250 nan 0.000 0.451 399 E N 0.321 120.531 120.200 0.017 0.000 2.204 399 E HA -0.102 4.256 4.350 0.015 0.000 0.195 399 E C 1.081 177.682 176.600 0.003 0.000 0.990 399 E CA 0.873 57.277 56.400 0.007 0.000 0.821 399 E CB -0.161 29.545 29.700 0.010 0.000 0.750 399 E HN 0.311 nan 8.360 nan 0.000 0.477 400 N N 0.337 119.046 118.700 0.016 0.000 2.235 400 N HA 0.072 4.820 4.740 0.015 0.000 0.209 400 N C -0.523 174.965 175.510 -0.036 0.000 1.122 400 N CA 0.156 53.205 53.050 -0.003 0.000 0.845 400 N CB 0.924 39.426 38.487 0.026 0.000 1.004 400 N HN 0.091 nan 8.380 nan 0.000 0.499 401 I N 1.175 121.732 120.570 -0.022 0.000 2.389 401 I HA 0.258 4.436 4.170 0.015 0.000 0.288 401 I C 0.144 176.230 176.117 -0.053 0.000 0.999 401 I CA -0.763 60.515 61.300 -0.036 0.000 1.129 401 I CB 1.778 39.782 38.000 0.008 0.000 1.288 401 I HN -0.187 nan 8.210 nan 0.000 0.444 402 K N 5.680 126.036 120.400 -0.072 0.000 2.221 402 K HA 0.738 5.067 4.320 0.015 0.000 0.258 402 K C -1.481 175.039 176.600 -0.133 0.000 0.944 402 K CA -0.465 55.745 56.287 -0.128 0.000 0.823 402 K CB 1.861 34.273 32.500 -0.146 0.000 1.113 402 K HN 0.359 nan 8.250 nan 0.000 0.431 403 V N 4.612 124.406 119.914 -0.199 0.000 2.555 403 V HA 0.387 4.516 4.120 0.015 0.000 0.302 403 V C -1.229 174.708 176.094 -0.261 0.000 1.038 403 V CA -0.824 61.406 62.300 -0.117 0.000 0.887 403 V CB 1.182 32.983 31.823 -0.037 0.000 0.991 403 V HN 0.668 nan 8.190 nan 0.000 0.434 404 Y N 2.771 123.071 120.300 0.001 0.000 2.352 404 Y HA 0.548 5.107 4.550 0.015 0.000 0.339 404 Y C 0.312 176.240 175.900 0.048 0.000 0.992 404 Y CA -0.372 57.739 58.100 0.018 0.000 1.100 404 Y CB 1.749 40.214 38.460 0.008 0.000 1.192 404 Y HN 0.653 nan 8.280 nan 0.000 0.458 405 N N 0.655 119.466 118.700 0.186 0.000 2.265 405 N HA 0.681 5.430 4.740 0.015 0.000 0.300 405 N C -1.560 174.048 175.510 0.162 0.000 1.148 405 N CA -0.871 52.271 53.050 0.154 0.000 0.772 405 N CB 2.119 40.661 38.487 0.092 0.000 1.434 405 N HN 0.402 nan 8.380 nan 0.000 0.481 406 S N 0.455 116.254 115.700 0.166 0.000 2.603 406 S HA 0.442 4.920 4.470 0.015 0.000 0.274 406 S C -1.930 172.754 174.600 0.140 0.000 1.168 406 S CA -0.803 57.499 58.200 0.170 0.000 0.963 406 S CB 0.358 63.691 63.200 0.222 0.000 1.078 406 S HN 0.396 nan 8.310 nan 0.000 0.477 407 K N 3.663 124.148 120.400 0.142 0.000 2.426 407 K HA 0.723 5.052 4.320 0.015 0.000 0.254 407 K C -1.178 175.533 176.600 0.185 0.000 0.936 407 K CA -0.629 55.694 56.287 0.060 0.000 0.801 407 K CB 1.524 34.035 32.500 0.018 0.000 1.139 407 K HN 0.574 nan 8.250 nan 0.000 0.424 408 F N -2.282 117.591 119.950 -0.127 0.000 2.770 408 F HA 0.403 4.938 4.527 0.015 0.000 0.313 408 F C -1.316 174.427 175.800 -0.094 0.000 1.154 408 F CA -0.967 56.978 58.000 -0.093 0.000 0.923 408 F CB 1.216 40.168 39.000 -0.080 0.000 1.301 408 F HN 0.161 nan 8.300 nan 0.000 0.449 409 T N 2.306 116.901 114.554 0.068 0.000 2.771 409 T HA 0.726 5.085 4.350 0.015 0.000 0.281 409 T C 0.140 174.978 174.700 0.231 0.000 0.982 409 T CA -0.136 61.960 62.100 -0.006 0.000 0.978 409 T CB 1.206 70.080 68.868 0.010 0.000 0.930 409 T HN 0.960 nan 8.240 nan 0.000 0.447 410 A N 3.653 126.616 122.820 0.238 0.000 2.507 410 A HA 0.204 4.532 4.320 0.015 0.000 0.235 410 A C 1.753 179.561 177.584 0.374 0.000 1.070 410 A CA -0.201 52.068 52.037 0.388 0.000 0.768 410 A CB -0.182 19.040 19.000 0.369 0.000 1.011 410 A HN 1.071 nan 8.150 nan 0.000 0.502 411 M N 1.650 121.418 119.600 0.281 0.000 2.202 411 M HA -0.193 4.296 4.480 0.015 0.000 0.262 411 M C 1.654 178.060 176.300 0.177 0.000 1.063 411 M CA 2.254 57.669 55.300 0.191 0.000 1.097 411 M CB -0.365 32.312 32.600 0.130 0.000 1.382 411 M HN 0.955 nan 8.290 nan 0.000 0.413 412 Y N 0.082 120.402 120.300 0.034 0.000 2.241 412 Y HA -0.307 4.252 4.550 0.015 0.000 0.286 412 Y C 1.148 176.943 175.900 -0.176 0.000 1.166 412 Y CA 1.968 60.019 58.100 -0.082 0.000 1.203 412 Y CB -0.596 37.700 38.460 -0.275 0.000 0.977 412 Y HN 0.337 nan 8.280 nan 0.000 0.529 413 Y N -0.678 119.643 120.300 0.034 0.000 2.546 413 Y HA 0.141 4.700 4.550 0.015 0.000 0.287 413 Y C 2.381 178.203 175.900 -0.129 0.000 1.158 413 Y CA 0.285 58.316 58.100 -0.115 0.000 1.307 413 Y CB -0.547 37.905 38.460 -0.014 0.000 1.036 413 Y HN 0.238 nan 8.280 nan 0.000 0.532 414 A N 0.143 122.967 122.820 0.006 0.000 1.940 414 A HA -0.175 4.153 4.320 0.015 0.000 0.219 414 A C 1.971 179.479 177.584 -0.126 0.000 1.176 414 A CA 1.408 53.429 52.037 -0.026 0.000 0.631 414 A CB -0.373 18.624 19.000 -0.005 0.000 0.814 414 A HN 0.273 nan 8.150 nan 0.000 0.446 415 M N -0.545 118.891 119.600 -0.273 0.000 2.561 415 M HA 0.323 4.811 4.480 0.015 0.000 0.238 415 M C -0.199 175.878 176.300 -0.370 0.000 1.131 415 M CA 0.513 55.559 55.300 -0.422 0.000 1.046 415 M CB -1.031 31.037 32.600 -0.887 0.000 1.532 415 M HN 0.229 nan 8.290 nan 0.000 0.497 416 L N -1.007 120.069 121.223 -0.246 0.000 2.323 416 L HA 0.368 4.717 4.340 0.015 0.000 0.265 416 L C 1.410 178.245 176.870 -0.059 0.000 1.012 416 L CA -0.466 54.276 54.840 -0.163 0.000 0.820 416 L CB 1.930 43.866 42.059 -0.204 0.000 1.334 416 L HN 0.048 nan 8.230 nan 0.000 0.427 417 S N -0.755 114.930 115.700 -0.025 0.000 2.406 417 S HA -0.011 4.468 4.470 0.015 0.000 0.224 417 S C 0.549 175.167 174.600 0.030 0.000 1.030 417 S CA 0.020 58.222 58.200 0.004 0.000 0.958 417 S CB -0.221 62.986 63.200 0.013 0.000 0.811 417 S HN 0.696 nan 8.310 nan 0.000 0.489 418 E N 1.972 122.206 120.200 0.056 0.000 2.343 418 E HA 0.422 4.781 4.350 0.015 0.000 0.269 418 E C -0.619 176.034 176.600 0.089 0.000 1.047 418 E CA -0.480 55.974 56.400 0.090 0.000 0.874 418 E CB 0.661 30.462 29.700 0.169 0.000 1.033 418 E HN 0.130 nan 8.360 nan 0.000 0.409 419 K N 0.829 121.216 120.400 -0.022 0.000 2.400 419 K HA 0.535 4.864 4.320 0.015 0.000 0.246 419 K C -0.820 175.490 176.600 -0.484 0.000 0.995 419 K CA -1.019 55.086 56.287 -0.303 0.000 0.840 419 K CB 2.147 34.543 32.500 -0.173 0.000 1.293 419 K HN 0.554 nan 8.250 nan 0.000 0.445 420 S N 1.229 116.339 115.700 -0.983 0.000 2.540 420 S HA 0.617 5.096 4.470 0.015 0.000 0.275 420 S C -2.831 171.402 174.600 -0.611 0.000 1.123 420 S CA -1.288 56.449 58.200 -0.771 0.000 0.907 420 S CB 1.507 64.242 63.200 -0.775 0.000 1.081 420 S HN 0.330 nan 8.310 nan 0.000 0.476 421 P HA 0.427 nan 4.420 nan 0.000 0.284 421 P C -1.138 175.901 177.300 -0.434 0.000 1.258 421 P CA -0.375 62.486 63.100 -0.398 0.000 0.824 421 P CB 1.155 32.674 31.700 -0.302 0.000 1.038 422 T N 3.460 117.670 114.554 -0.573 0.000 2.812 422 T HA 0.475 4.834 4.350 0.015 0.000 0.282 422 T C -0.306 173.974 174.700 -0.698 0.000 0.990 422 T CA -0.617 61.026 62.100 -0.761 0.000 0.960 422 T CB 0.776 68.802 68.868 -1.403 0.000 0.948 422 T HN 0.238 nan 8.240 nan 0.000 0.438 423 R N 2.968 123.218 120.500 -0.417 0.000 2.502 423 R HA 0.329 4.678 4.340 0.015 0.000 0.298 423 R C -1.473 174.884 176.300 0.096 0.000 1.018 423 R CA -0.522 55.470 56.100 -0.181 0.000 0.899 423 R CB 1.675 31.923 30.300 -0.088 0.000 1.181 423 R HN 0.729 nan 8.270 nan 0.000 0.444 424 Y N 1.394 121.720 120.300 0.044 0.000 2.364 424 Y HA 0.439 4.998 4.550 0.015 0.000 0.340 424 Y C 0.479 176.423 175.900 0.074 0.000 0.975 424 Y CA -0.953 57.181 58.100 0.056 0.000 1.089 424 Y CB 3.052 41.563 38.460 0.086 0.000 1.192 424 Y HN 0.190 nan 8.280 nan 0.000 0.454 425 K N 4.899 125.437 120.400 0.230 0.000 2.507 425 K HA 0.520 4.849 4.320 0.015 0.000 0.252 425 K C -1.772 174.895 176.600 0.112 0.000 0.943 425 K CA -0.512 55.884 56.287 0.182 0.000 0.808 425 K CB 1.223 33.845 32.500 0.203 0.000 1.142 425 K HN 0.701 nan 8.250 nan 0.000 0.426 426 I N 4.551 125.189 120.570 0.113 0.000 2.330 426 I HA 0.228 4.406 4.170 0.015 0.000 0.289 426 I C -0.429 175.731 176.117 0.073 0.000 1.001 426 I CA -1.138 60.179 61.300 0.029 0.000 1.193 426 I CB 1.805 39.787 38.000 -0.031 0.000 1.345 426 I HN 0.195 nan 8.210 nan 0.000 0.461 427 V N 5.817 125.741 119.914 0.016 0.000 2.383 427 V HA 0.290 4.419 4.120 0.015 0.000 0.275 427 V C -0.061 176.018 176.094 -0.025 0.000 1.036 427 V CA -0.396 61.925 62.300 0.035 0.000 0.889 427 V CB 1.070 32.945 31.823 0.086 0.000 0.985 427 V HN 0.806 nan 8.190 nan 0.000 0.459 428 C N 4.204 123.493 119.300 -0.019 0.000 2.435 428 C HA 0.936 5.405 4.460 0.015 0.000 0.333 428 C C 0.540 175.448 174.990 -0.135 0.000 1.202 428 C CA -0.654 58.321 59.018 -0.072 0.000 1.830 428 C CB 1.039 28.780 27.740 0.002 0.000 2.326 428 C HN 0.998 nan 8.230 nan 0.000 0.507 429 A N 2.070 124.744 122.820 -0.243 0.000 2.386 429 A HA 0.957 5.285 4.320 0.015 0.000 0.311 429 A C 0.010 177.411 177.584 -0.306 0.000 1.068 429 A CA 0.494 52.286 52.037 -0.410 0.000 0.743 429 A CB 0.793 19.186 19.000 -1.012 0.000 1.258 429 A HN 2.477 nan 8.150 nan 0.000 0.429 430 G N 2.021 110.688 108.800 -0.221 0.000 2.756 430 G HA2 -0.052 3.917 3.960 0.015 0.000 0.678 430 G HA3 -0.052 3.917 3.960 0.015 0.000 0.678 430 G C -1.561 173.295 174.900 -0.073 0.000 1.349 430 G CA -0.087 44.940 45.100 -0.122 0.000 0.847 430 G HN 0.783 nan 8.290 nan 0.000 0.548 431 P HA -0.005 nan 4.420 nan 0.000 0.229 431 P C 0.924 178.210 177.300 -0.024 0.000 1.160 431 P CA 1.119 64.204 63.100 -0.026 0.000 0.777 431 P CB -0.029 31.663 31.700 -0.014 0.000 0.814 432 N N 0.248 118.927 118.700 -0.034 0.000 2.336 432 N HA 0.017 4.766 4.740 0.015 0.000 0.189 432 N C -0.317 175.167 175.510 -0.043 0.000 1.113 432 N CA -0.150 52.881 53.050 -0.031 0.000 0.858 432 N CB -0.116 38.352 38.487 -0.030 0.000 0.970 432 N HN 0.058 nan 8.380 nan 0.000 0.471 433 E N 0.914 121.081 120.200 -0.054 0.000 2.320 433 E HA -0.241 4.118 4.350 0.015 0.000 0.234 433 E C -0.470 176.068 176.600 -0.102 0.000 1.183 433 E CA 0.428 56.793 56.400 -0.057 0.000 0.713 433 E CB -1.078 28.624 29.700 0.003 0.000 1.226 433 E HN 0.437 nan 8.360 nan 0.000 0.382 434 K N 1.132 121.461 120.400 -0.119 0.000 2.484 434 K HA 0.103 4.432 4.320 0.015 0.000 0.280 434 K C 0.054 176.559 176.600 -0.159 0.000 1.013 434 K CA -0.102 56.110 56.287 -0.126 0.000 1.029 434 K CB 0.672 33.103 32.500 -0.114 0.000 0.902 434 K HN -0.018 nan 8.250 nan 0.000 0.481 435 V N 6.746 126.550 119.914 -0.184 0.000 2.421 435 V HA -0.037 4.092 4.120 0.015 0.000 0.271 435 V C 1.114 177.140 176.094 -0.113 0.000 1.031 435 V CA -0.005 62.164 62.300 -0.218 0.000 1.032 435 V CB 0.632 32.227 31.823 -0.380 0.000 1.009 435 V HN 0.772 nan 8.190 nan 0.000 0.477 436 V N 2.065 121.926 119.914 -0.089 0.000 3.661 436 V HA 0.641 4.770 4.120 0.015 0.000 0.271 436 V C 0.767 176.865 176.094 0.007 0.000 1.315 436 V CA 0.677 62.968 62.300 -0.016 0.000 1.072 436 V CB 0.238 32.071 31.823 0.016 0.000 0.830 436 V HN 0.794 nan 8.190 nan 0.000 0.443 437 G N 0.616 109.385 108.800 -0.052 0.000 2.753 437 G HA2 0.619 4.587 3.960 0.015 0.000 0.297 437 G HA3 0.619 4.587 3.960 0.015 0.000 0.297 437 G C -2.211 172.480 174.900 -0.350 0.000 1.430 437 G CA -0.561 44.449 45.100 -0.151 0.000 1.040 437 G HN 0.344 nan 8.290 nan 0.000 0.530 438 L N 2.192 123.053 121.223 -0.604 0.000 2.439 438 L HA 0.708 5.057 4.340 0.015 0.000 0.270 438 L C -1.424 175.059 176.870 -0.644 0.000 0.972 438 L CA -0.841 53.727 54.840 -0.454 0.000 0.836 438 L CB 1.474 43.434 42.059 -0.165 0.000 1.255 438 L HN 0.615 nan 8.230 nan 0.000 0.404 439 H N 6.809 125.886 119.070 0.013 0.000 2.840 439 H HA 0.640 5.205 4.556 0.015 0.000 0.340 439 H C -0.820 174.525 175.328 0.029 0.000 1.004 439 H CA -0.405 55.660 56.048 0.029 0.000 1.288 439 H CB 1.935 31.732 29.762 0.059 0.000 1.607 439 H HN 0.762 nan 8.280 nan 0.000 0.522 440 I N -0.587 120.044 120.570 0.100 0.000 2.730 440 I HA 0.767 4.946 4.170 0.015 0.000 0.298 440 I C -1.147 175.019 176.117 0.082 0.000 1.089 440 I CA -1.160 60.214 61.300 0.124 0.000 1.041 440 I CB 2.590 40.560 38.000 -0.050 0.000 1.235 440 I HN 0.139 nan 8.210 nan 0.000 0.423 441 V N 3.431 123.413 119.914 0.114 0.000 2.686 441 V HA 1.000 5.129 4.120 0.015 0.000 0.306 441 V C 0.227 176.304 176.094 -0.029 0.000 1.065 441 V CA 0.090 62.385 62.300 -0.009 0.000 0.894 441 V CB 1.183 32.965 31.823 -0.069 0.000 1.004 441 V HN 1.355 nan 8.190 nan 0.000 0.424 442 G N 2.752 111.522 108.800 -0.049 0.000 2.333 442 G HA2 0.194 4.163 3.960 0.015 0.000 0.330 442 G HA3 0.194 4.163 3.960 0.015 0.000 0.330 442 G C -1.613 173.300 174.900 0.022 0.000 1.465 442 G CA -1.055 43.999 45.100 -0.075 0.000 0.996 442 G HN 0.563 nan 8.290 nan 0.000 0.655 443 D N 0.228 120.658 120.400 0.049 0.000 2.506 443 D HA 0.378 5.027 4.640 0.015 0.000 0.234 443 D C 1.327 177.707 176.300 0.133 0.000 1.143 443 D CA 1.615 55.688 54.000 0.123 0.000 0.871 443 D CB 0.923 41.805 40.800 0.137 0.000 1.190 443 D HN 1.021 nan 8.370 nan 0.000 0.459 444 S N 0.020 115.809 115.700 0.148 0.000 2.929 444 S HA -0.234 4.245 4.470 0.015 0.000 0.271 444 S C 1.710 176.361 174.600 0.085 0.000 1.295 444 S CA 1.054 59.332 58.200 0.131 0.000 1.277 444 S CB -1.144 62.136 63.200 0.133 0.000 1.557 444 S HN 0.484 nan 8.310 nan 0.000 0.666 445 S N 1.250 116.981 115.700 0.053 0.000 2.383 445 S HA -0.117 4.362 4.470 0.015 0.000 0.229 445 S C 2.304 176.858 174.600 -0.076 0.000 1.030 445 S CA 1.400 59.596 58.200 -0.007 0.000 1.002 445 S CB -0.481 62.702 63.200 -0.029 0.000 0.829 445 S HN 0.965 nan 8.310 nan 0.000 0.467 446 A N 1.509 124.245 122.820 -0.141 0.000 1.940 446 A HA -0.141 4.188 4.320 0.015 0.000 0.219 446 A C 2.072 179.623 177.584 -0.055 0.000 1.176 446 A CA 1.356 53.263 52.037 -0.216 0.000 0.631 446 A CB -0.320 18.454 19.000 -0.376 0.000 0.814 446 A HN 0.373 nan 8.150 nan 0.000 0.446 447 E N -0.554 119.657 120.200 0.018 0.000 2.250 447 E HA 0.051 4.410 4.350 0.015 0.000 0.192 447 E C 1.941 178.569 176.600 0.045 0.000 0.986 447 E CA 0.418 56.848 56.400 0.051 0.000 0.849 447 E CB -0.229 29.522 29.700 0.085 0.000 0.797 447 E HN 0.719 nan 8.360 nan 0.000 0.482 448 I N 0.947 121.547 120.570 0.050 0.000 2.226 448 I HA -0.256 3.923 4.170 0.015 0.000 0.245 448 I C 2.438 178.629 176.117 0.123 0.000 1.100 448 I CA 0.572 61.922 61.300 0.083 0.000 1.374 448 I CB -0.142 37.890 38.000 0.054 0.000 1.057 448 I HN 0.073 nan 8.210 nan 0.000 0.413 449 L N 0.735 121.988 121.223 0.050 0.000 2.046 449 L HA -0.256 4.093 4.340 0.015 0.000 0.208 449 L C 2.512 179.433 176.870 0.086 0.000 1.077 449 L CA 1.857 56.733 54.840 0.059 0.000 0.747 449 L CB -0.733 41.315 42.059 -0.020 0.000 0.896 449 L HN 0.189 nan 8.230 nan 0.000 0.432 450 Q N -0.248 119.571 119.800 0.033 0.000 2.047 450 Q HA -0.205 4.144 4.340 0.015 0.000 0.211 450 Q C 2.125 178.112 176.000 -0.021 0.000 1.005 450 Q CA 2.529 58.335 55.803 0.005 0.000 0.866 450 Q CB -1.136 27.599 28.738 -0.005 0.000 0.938 450 Q HN 0.561 nan 8.270 nan 0.000 0.414 451 G N -1.275 107.482 108.800 -0.072 0.000 2.440 451 G HA2 -0.247 3.722 3.960 0.015 0.000 0.218 451 G HA3 -0.247 3.722 3.960 0.015 0.000 0.218 451 G C 1.089 175.816 174.900 -0.289 0.000 1.154 451 G CA 0.846 45.822 45.100 -0.206 0.000 0.767 451 G HN 0.406 nan 8.290 nan 0.000 0.552 452 F N 1.657 121.516 119.950 -0.152 0.000 2.216 452 F HA 0.066 4.602 4.527 0.015 0.000 0.300 452 F C 2.826 178.586 175.800 -0.066 0.000 1.085 452 F CA 0.826 58.715 58.000 -0.184 0.000 1.326 452 F CB -0.470 38.394 39.000 -0.226 0.000 1.027 452 F HN 0.185 nan 8.300 nan 0.000 0.497 453 G N -0.217 108.639 108.800 0.095 0.000 2.418 453 G HA2 -0.195 3.774 3.960 0.015 0.000 0.217 453 G HA3 -0.195 3.774 3.960 0.015 0.000 0.217 453 G C 1.838 176.755 174.900 0.028 0.000 1.158 453 G CA 1.120 46.256 45.100 0.059 0.000 0.771 453 G HN 0.244 nan 8.290 nan 0.000 0.545 454 V N 1.493 121.398 119.914 -0.015 0.000 2.343 454 V HA -0.145 3.984 4.120 0.015 0.000 0.247 454 V C 3.301 179.386 176.094 -0.015 0.000 1.051 454 V CA 2.060 64.343 62.300 -0.028 0.000 1.036 454 V CB -0.760 31.026 31.823 -0.061 0.000 0.654 454 V HN 0.479 nan 8.190 nan 0.000 0.451 455 A N -0.423 122.382 122.820 -0.026 0.000 1.930 455 A HA -0.107 4.222 4.320 0.015 0.000 0.217 455 A C 2.171 179.819 177.584 0.107 0.000 1.175 455 A CA 1.571 53.618 52.037 0.017 0.000 0.627 455 A CB -0.463 18.518 19.000 -0.032 0.000 0.815 455 A HN 0.504 nan 8.150 nan 0.000 0.443 456 I N -0.682 119.972 120.570 0.140 0.000 2.315 456 I HA -0.177 4.001 4.170 0.015 0.000 0.248 456 I C 1.954 178.113 176.117 0.071 0.000 1.117 456 I CA 0.968 62.348 61.300 0.133 0.000 1.404 456 I CB -0.096 37.987 38.000 0.138 0.000 1.071 456 I HN 0.097 nan 8.210 nan 0.000 0.419 457 K N 0.361 120.791 120.400 0.050 0.000 2.439 457 K HA 0.014 4.343 4.320 0.015 0.000 0.197 457 K C 1.728 178.344 176.600 0.027 0.000 1.041 457 K CA 1.010 57.316 56.287 0.031 0.000 0.970 457 K CB -0.109 32.402 32.500 0.018 0.000 0.773 457 K HN 0.398 nan 8.250 nan 0.000 0.479 458 M N -0.945 118.674 119.600 0.031 0.000 2.556 458 M HA 0.063 4.552 4.480 0.015 0.000 0.245 458 M C 0.556 176.875 176.300 0.031 0.000 1.128 458 M CA 0.541 55.856 55.300 0.025 0.000 1.069 458 M CB 0.482 33.093 32.600 0.019 0.000 1.469 458 M HN 0.279 nan 8.290 nan 0.000 0.494 459 G N 1.187 110.011 108.800 0.040 0.000 2.140 459 G HA2 -0.150 3.818 3.960 0.015 0.000 0.211 459 G HA3 -0.150 3.818 3.960 0.015 0.000 0.211 459 G C 0.115 175.037 174.900 0.037 0.000 1.013 459 G CA -0.091 45.028 45.100 0.032 0.000 0.705 459 G HN 0.679 nan 8.290 nan 0.000 0.508 460 A N 0.389 123.254 122.820 0.076 0.000 2.565 460 A HA 0.574 4.903 4.320 0.015 0.000 0.237 460 A C 1.179 178.768 177.584 0.007 0.000 1.053 460 A CA 1.588 53.691 52.037 0.111 0.000 0.755 460 A CB 0.103 19.293 19.000 0.317 0.000 0.980 460 A HN 1.960 nan 8.150 nan 0.000 0.506 461 T N -0.282 114.264 114.554 -0.015 0.000 2.923 461 T HA 0.467 4.826 4.350 0.015 0.000 0.281 461 T C 1.041 175.632 174.700 -0.182 0.000 0.995 461 T CA -0.275 61.764 62.100 -0.100 0.000 0.985 461 T CB 1.071 69.908 68.868 -0.053 0.000 1.114 461 T HN 0.519 nan 8.240 nan 0.000 0.548 462 K N 0.814 121.069 120.400 -0.242 0.000 2.063 462 K HA 0.013 4.342 4.320 0.015 0.000 0.208 462 K C 2.334 178.868 176.600 -0.111 0.000 1.048 462 K CA 1.978 58.086 56.287 -0.299 0.000 0.928 462 K CB -1.249 31.079 32.500 -0.287 0.000 0.713 462 K HN 0.739 nan 8.250 nan 0.000 0.442 463 A N 0.839 123.627 122.820 -0.052 0.000 1.972 463 A HA -0.173 4.156 4.320 0.015 0.000 0.219 463 A C 1.765 179.377 177.584 0.047 0.000 1.169 463 A CA 1.988 54.023 52.037 -0.003 0.000 0.635 463 A CB -0.595 18.404 19.000 -0.002 0.000 0.810 463 A HN 0.434 nan 8.150 nan 0.000 0.446 464 D N -0.842 119.605 120.400 0.080 0.000 2.117 464 D HA -0.101 4.547 4.640 0.015 0.000 0.198 464 D C 1.590 178.038 176.300 0.247 0.000 0.982 464 D CA 0.990 55.074 54.000 0.140 0.000 0.828 464 D CB -0.372 40.525 40.800 0.162 0.000 0.967 464 D HN 0.395 nan 8.370 nan 0.000 0.464 465 F N 1.870 121.819 119.950 -0.002 0.000 2.095 465 F HA -0.142 4.394 4.527 0.015 0.000 0.298 465 F C 2.055 177.862 175.800 0.012 0.000 1.104 465 F CA 0.911 58.935 58.000 0.039 0.000 1.232 465 F CB -0.694 38.319 39.000 0.021 0.000 0.987 465 F HN -0.090 nan 8.300 nan 0.000 0.475 466 D N -0.888 119.614 120.400 0.171 0.000 2.350 466 D HA -0.134 4.515 4.640 0.015 0.000 0.216 466 D C 1.486 177.814 176.300 0.047 0.000 0.968 466 D CA 0.666 54.709 54.000 0.071 0.000 0.894 466 D CB -0.553 40.261 40.800 0.022 0.000 0.909 466 D HN 0.181 nan 8.370 nan 0.000 0.520 467 N N -0.255 118.475 118.700 0.051 0.000 2.370 467 N HA -0.024 4.725 4.740 0.015 0.000 0.198 467 N C -1.101 174.412 175.510 0.004 0.000 1.156 467 N CA -0.089 52.975 53.050 0.023 0.000 0.839 467 N CB 0.057 38.559 38.487 0.024 0.000 0.989 467 N HN -0.006 nan 8.380 nan 0.000 0.468 468 C N 0.431 119.730 119.300 -0.001 0.000 2.408 468 C HA 0.549 5.017 4.460 0.015 0.000 0.321 468 C C 0.150 175.133 174.990 -0.011 0.000 1.245 468 C CA -0.810 58.193 59.018 -0.025 0.000 1.523 468 C CB -0.002 27.698 27.740 -0.068 0.000 2.178 468 C HN 0.003 nan 8.230 nan 0.000 0.488 469 V N 5.977 125.884 119.914 -0.012 0.000 2.763 469 V HA 0.333 4.462 4.120 0.015 0.000 0.306 469 V C 1.202 177.298 176.094 0.003 0.000 1.059 469 V CA 0.481 62.779 62.300 -0.004 0.000 1.138 469 V CB 0.632 32.452 31.823 -0.005 0.000 0.940 469 V HN 1.131 nan 8.190 nan 0.000 0.489 470 A N 5.722 128.549 122.820 0.013 0.000 2.406 470 A HA 0.581 4.910 4.320 0.015 0.000 0.243 470 A C -0.222 177.390 177.584 0.047 0.000 1.082 470 A CA -0.255 51.802 52.037 0.033 0.000 0.786 470 A CB 0.030 19.049 19.000 0.031 0.000 1.029 470 A HN 0.733 nan 8.150 nan 0.000 0.495 471 I N 1.065 121.678 120.570 0.071 0.000 2.355 471 I HA 0.283 4.461 4.170 0.015 0.000 0.288 471 I C -0.349 175.854 176.117 0.144 0.000 0.999 471 I CA -0.172 61.178 61.300 0.084 0.000 1.163 471 I CB 1.258 39.293 38.000 0.059 0.000 1.316 471 I HN 0.775 nan 8.210 nan 0.000 0.454 472 H N 7.471 126.553 119.070 0.020 0.000 2.495 472 H HA 0.612 5.177 4.556 0.015 0.000 0.348 472 H C -2.423 172.922 175.328 0.028 0.000 1.113 472 H CA -1.672 54.389 56.048 0.022 0.000 1.195 472 H CB 1.678 31.447 29.762 0.012 0.000 1.521 472 H HN 0.348 nan 8.280 nan 0.000 0.509 473 P HA 0.335 nan 4.420 nan 0.000 0.300 473 P C -1.226 176.020 177.300 -0.090 0.000 1.326 473 P CA -0.596 62.229 63.100 -0.458 0.000 0.844 473 P CB 1.741 33.051 31.700 -0.650 0.000 0.992 474 T N -2.235 112.335 114.554 0.026 0.000 2.787 474 T HA 0.357 4.716 4.350 0.015 0.000 0.297 474 T C 0.760 175.562 174.700 0.169 0.000 1.221 474 T CA -0.485 61.674 62.100 0.099 0.000 1.006 474 T CB 0.911 69.843 68.868 0.107 0.000 1.328 474 T HN 0.054 nan 8.240 nan 0.000 0.509 475 S N 0.012 115.865 115.700 0.255 0.000 2.388 475 S HA 0.171 4.649 4.470 0.015 0.000 0.223 475 S C 2.507 177.385 174.600 0.463 0.000 1.034 475 S CA 0.750 59.211 58.200 0.433 0.000 0.963 475 S CB -0.831 62.666 63.200 0.494 0.000 0.827 475 S HN 0.934 nan 8.310 nan 0.000 0.481 476 A N 1.870 124.883 122.820 0.321 0.000 1.948 476 A HA -0.247 4.081 4.320 0.015 0.000 0.220 476 A C 1.922 179.637 177.584 0.218 0.000 1.177 476 A CA 1.995 54.175 52.037 0.239 0.000 0.636 476 A CB -0.796 18.330 19.000 0.210 0.000 0.815 476 A HN 0.622 nan 8.150 nan 0.000 0.449 477 E N -0.513 119.799 120.200 0.186 0.000 2.136 477 E HA -0.294 4.064 4.350 0.015 0.000 0.202 477 E C 1.821 178.487 176.600 0.112 0.000 1.019 477 E CA 1.566 58.046 56.400 0.133 0.000 0.819 477 E CB -0.133 29.641 29.700 0.124 0.000 0.739 477 E HN 0.593 nan 8.360 nan 0.000 0.458 478 E N 0.176 120.458 120.200 0.136 0.000 2.204 478 E HA -0.163 4.195 4.350 0.015 0.000 0.195 478 E C 2.142 178.847 176.600 0.176 0.000 0.990 478 E CA 0.660 57.126 56.400 0.110 0.000 0.821 478 E CB -0.109 29.633 29.700 0.071 0.000 0.750 478 E HN 0.438 nan 8.360 nan 0.000 0.477 479 L N 0.251 121.557 121.223 0.137 0.000 2.376 479 L HA -0.096 4.253 4.340 0.015 0.000 0.219 479 L C 2.090 179.021 176.870 0.102 0.000 1.133 479 L CA 0.555 55.389 54.840 -0.011 0.000 0.816 479 L CB -0.045 41.708 42.059 -0.510 0.000 0.933 479 L HN 0.020 nan 8.230 nan 0.000 0.449 480 V N -5.244 114.740 119.914 0.116 0.000 3.528 480 V HA 0.169 4.298 4.120 0.015 0.000 0.294 480 V C 0.929 177.062 176.094 0.066 0.000 1.404 480 V CA 0.441 62.813 62.300 0.119 0.000 1.065 480 V CB -0.081 31.799 31.823 0.096 0.000 0.904 480 V HN 0.373 nan 8.190 nan 0.000 0.435 481 T N -2.374 112.209 114.554 0.048 0.000 3.584 481 T HA 0.551 4.910 4.350 0.015 0.000 0.259 481 T C -0.402 174.309 174.700 0.018 0.000 1.009 481 T CA -0.168 61.943 62.100 0.019 0.000 1.103 481 T CB 0.213 69.082 68.868 0.002 0.000 1.099 481 T HN 0.285 nan 8.240 nan 0.000 0.539 482 M N 2.385 121.990 119.600 0.009 0.000 2.444 482 M HA 0.543 5.032 4.480 0.015 0.000 0.319 482 M C 0.644 177.013 176.300 0.115 0.000 1.183 482 M CA -0.860 54.469 55.300 0.050 0.000 1.032 482 M CB 1.500 34.120 32.600 0.033 0.000 1.569 482 M HN 0.597 nan 8.290 nan 0.000 0.468 483 R N 0.000 120.626 120.500 0.210 0.000 2.786 483 R HA 0.000 4.349 4.340 0.015 0.000 0.208 483 R CA 0.000 56.236 56.100 0.226 0.000 0.921 483 R CB 0.000 30.468 30.300 0.281 0.000 0.687 483 R HN 0.000 nan 8.270 nan 0.000 0.535