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 1yaj_1_A DATA FIRST_RESID 21 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK 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 21 S HA 0.000 nan 4.470 nan 0.000 0.327 21 S C 0.000 174.643 174.600 0.072 0.000 1.055 21 S CA 0.000 58.200 58.200 0.001 0.000 1.107 21 S CB 0.000 63.143 63.200 -0.096 0.000 0.593 22 S N 1.981 117.780 115.700 0.166 0.000 2.546 22 S HA 0.509 4.990 4.470 0.018 0.000 0.303 22 S C -3.271 171.487 174.600 0.264 0.000 1.067 22 S CA -0.798 57.504 58.200 0.171 0.000 0.944 22 S CB 0.828 64.101 63.200 0.121 0.000 1.155 22 S HN 0.192 nan 8.310 nan 0.000 0.449 23 P HA 0.119 nan 4.420 nan 0.000 0.261 23 P C -2.636 174.616 177.300 -0.080 0.000 1.158 23 P CA -0.333 62.766 63.100 -0.001 0.000 0.758 23 P CB -0.264 31.425 31.700 -0.018 0.000 0.763 24 P HA 0.043 nan 4.420 nan 0.000 0.266 24 P C -0.829 176.493 177.300 0.038 0.000 1.215 24 P CA 0.445 63.410 63.100 -0.225 0.000 0.763 24 P CB 0.443 31.836 31.700 -0.512 0.000 0.806 25 V N 5.521 125.486 119.914 0.084 0.000 2.443 25 V HA 0.291 4.422 4.120 0.018 0.000 0.293 25 V C 0.111 176.228 176.094 0.038 0.000 1.021 25 V CA -0.562 61.802 62.300 0.106 0.000 0.848 25 V CB 2.040 33.912 31.823 0.081 0.000 0.998 25 V HN 0.207 nan 8.190 nan 0.000 0.424 26 V N 2.938 122.834 119.914 -0.030 0.000 2.667 26 V HA 0.512 4.643 4.120 0.018 0.000 0.308 26 V C -0.563 175.431 176.094 -0.167 0.000 1.048 26 V CA -0.654 61.497 62.300 -0.249 0.000 0.928 26 V CB 2.364 33.716 31.823 -0.785 0.000 1.004 26 V HN 0.876 nan 8.190 nan 0.000 0.444 27 D N 2.438 122.737 120.400 -0.168 0.000 2.329 27 D HA 0.493 5.144 4.640 0.018 0.000 0.232 27 D C 0.053 176.283 176.300 -0.118 0.000 1.088 27 D CA -0.001 53.945 54.000 -0.090 0.000 0.835 27 D CB 1.421 42.175 40.800 -0.076 0.000 1.078 27 D HN 0.798 nan 8.370 nan 0.000 0.495 28 T N -0.331 114.201 114.554 -0.036 0.000 2.949 28 T HA 0.287 4.648 4.350 0.018 0.000 0.287 28 T C 1.458 176.074 174.700 -0.140 0.000 1.034 28 T CA -0.737 61.341 62.100 -0.035 0.000 1.018 28 T CB 1.109 70.102 68.868 0.209 0.000 1.135 28 T HN 0.033 nan 8.240 nan 0.000 0.532 29 V N 1.214 120.997 119.914 -0.219 0.000 2.546 29 V HA -0.165 3.966 4.120 0.018 0.000 0.254 29 V C 2.248 178.037 176.094 -0.509 0.000 1.076 29 V CA 1.770 63.854 62.300 -0.360 0.000 1.087 29 V CB -1.168 30.386 31.823 -0.448 0.000 0.674 29 V HN 0.876 nan 8.190 nan 0.000 0.470 30 H N -0.759 118.133 119.070 -0.296 0.000 2.575 30 H HA 0.463 5.030 4.556 0.019 0.000 0.267 30 H C 1.006 175.594 175.328 -1.233 0.000 0.966 30 H CA 0.997 56.674 56.048 -0.618 0.000 1.165 30 H CB 1.050 30.488 29.762 -0.541 0.000 1.433 30 H HN 0.537 nan 8.280 nan 0.000 0.544 31 G N 0.468 108.808 108.800 -0.767 0.000 2.368 31 G HA2 0.016 3.986 3.960 0.018 0.000 0.302 31 G HA3 0.016 3.986 3.960 0.018 0.000 0.302 31 G C -1.387 173.553 174.900 0.067 0.000 1.329 31 G CA -1.087 43.540 45.100 -0.788 0.000 0.935 31 G HN -0.003 nan 8.290 nan 0.000 0.590 32 K N -0.796 119.829 120.400 0.376 0.000 2.185 32 K HA 0.620 4.951 4.320 0.018 0.000 0.271 32 K C -0.470 176.475 176.600 0.574 0.000 1.013 32 K CA -0.493 56.034 56.287 0.399 0.000 0.943 32 K CB 1.844 34.505 32.500 0.267 0.000 0.998 32 K HN 0.323 nan 8.250 nan 0.000 0.468 33 V N 3.646 123.770 119.914 0.350 0.000 2.577 33 V HA 0.191 4.322 4.120 0.018 0.000 0.303 33 V C -0.944 175.328 176.094 0.297 0.000 1.042 33 V CA -0.979 61.516 62.300 0.324 0.000 0.872 33 V CB 1.707 33.757 31.823 0.378 0.000 0.998 33 V HN 0.552 nan 8.190 nan 0.000 0.423 34 L N 5.074 126.434 121.223 0.230 0.000 2.264 34 L HA 0.811 5.161 4.340 0.018 0.000 0.289 34 L C 0.439 177.369 176.870 0.101 0.000 1.044 34 L CA 0.615 55.547 54.840 0.154 0.000 0.807 34 L CB 0.740 42.838 42.059 0.065 0.000 1.192 34 L HN 0.765 nan 8.230 nan 0.000 0.425 35 G N 5.274 114.038 108.800 -0.060 0.000 2.938 35 G HA2 0.629 4.600 3.960 0.018 0.000 0.258 35 G HA3 0.629 4.600 3.960 0.018 0.000 0.258 35 G C -1.133 173.474 174.900 -0.489 0.000 1.356 35 G CA -0.553 44.201 45.100 -0.577 0.000 1.052 35 G HN 0.696 nan 8.290 nan 0.000 0.550 36 K N -1.147 118.903 120.400 -0.583 0.000 2.469 36 K HA 0.569 4.900 4.320 0.018 0.000 0.254 36 K C -1.729 174.651 176.600 -0.367 0.000 0.939 36 K CA -0.819 55.253 56.287 -0.359 0.000 0.812 36 K CB 2.091 34.471 32.500 -0.201 0.000 1.301 36 K HN 0.296 nan 8.250 nan 0.000 0.433 37 F N 1.239 121.125 119.950 -0.106 0.000 2.385 37 F HA 0.424 4.962 4.527 0.019 0.000 0.336 37 F C -0.211 175.570 175.800 -0.033 0.000 1.100 37 F CA -0.632 57.332 58.000 -0.061 0.000 1.116 37 F CB 1.948 40.931 39.000 -0.028 0.000 1.166 37 F HN 0.110 nan 8.300 nan 0.000 0.511 38 V N 2.518 122.573 119.914 0.234 0.000 2.733 38 V HA 0.317 4.448 4.120 0.018 0.000 0.306 38 V C -0.586 175.584 176.094 0.127 0.000 1.084 38 V CA -0.904 61.481 62.300 0.141 0.000 0.905 38 V CB 2.016 33.904 31.823 0.109 0.000 1.010 38 V HN 0.815 nan 8.190 nan 0.000 0.424 39 S N 4.797 120.554 115.700 0.095 0.000 2.687 39 S HA 0.896 5.377 4.470 0.018 0.000 0.283 39 S C -0.896 173.758 174.600 0.091 0.000 1.170 39 S CA -0.693 57.556 58.200 0.081 0.000 1.008 39 S CB 2.057 65.293 63.200 0.059 0.000 1.026 39 S HN 0.680 nan 8.310 nan 0.000 0.541 40 L N 1.539 122.833 121.223 0.118 0.000 2.470 40 L HA 0.376 4.727 4.340 0.018 0.000 0.268 40 L C -0.498 176.502 176.870 0.217 0.000 0.964 40 L CA -0.521 54.412 54.840 0.155 0.000 0.839 40 L CB 1.779 43.904 42.059 0.110 0.000 1.276 40 L HN 0.995 nan 8.230 nan 0.000 0.403 41 E N 3.772 124.067 120.200 0.159 0.000 3.131 41 E HA 0.227 4.588 4.350 0.018 0.000 0.258 41 E C 0.832 177.457 176.600 0.042 0.000 0.901 41 E CA 0.774 57.238 56.400 0.107 0.000 0.964 41 E CB -0.246 29.525 29.700 0.120 0.000 0.903 41 E HN 1.072 nan 8.360 nan 0.000 0.537 42 G N 2.816 111.564 108.800 -0.087 0.000 2.175 42 G HA2 -0.267 3.704 3.960 0.018 0.000 0.244 42 G HA3 -0.267 3.704 3.960 0.018 0.000 0.244 42 G C -0.231 174.269 174.900 -0.667 0.000 0.982 42 G CA 0.034 44.906 45.100 -0.379 0.000 0.641 42 G HN 0.492 nan 8.290 nan 0.000 0.527 43 F N -0.281 119.635 119.950 -0.058 0.000 2.547 43 F HA 0.729 5.267 4.527 0.019 0.000 0.316 43 F C 1.075 176.854 175.800 -0.034 0.000 1.121 43 F CA -0.282 57.684 58.000 -0.056 0.000 0.911 43 F CB 1.798 40.748 39.000 -0.083 0.000 1.179 43 F HN 0.078 nan 8.300 nan 0.000 0.443 44 A N 1.910 124.803 122.820 0.121 0.000 1.874 44 A HA -0.042 4.289 4.320 0.018 0.000 0.214 44 A C 0.927 178.543 177.584 0.053 0.000 1.189 44 A CA 0.533 52.605 52.037 0.059 0.000 0.615 44 A CB -0.675 18.341 19.000 0.028 0.000 0.830 44 A HN 0.773 nan 8.150 nan 0.000 0.443 45 Q N 1.489 121.335 119.800 0.077 0.000 2.274 45 Q HA 0.400 4.750 4.340 0.018 0.000 0.280 45 Q C -2.579 173.455 176.000 0.056 0.000 1.047 45 Q CA -1.508 54.326 55.803 0.051 0.000 0.907 45 Q CB -0.191 28.590 28.738 0.071 0.000 1.171 45 Q HN 0.308 nan 8.270 nan 0.000 0.381 46 P HA 0.093 nan 4.420 nan 0.000 0.285 46 P C -0.819 176.609 177.300 0.213 0.000 1.259 46 P CA -0.482 62.662 63.100 0.072 0.000 0.794 46 P CB 1.133 32.775 31.700 -0.097 0.000 0.940 47 V N 3.013 123.034 119.914 0.179 0.000 2.614 47 V HA 0.326 4.457 4.120 0.018 0.000 0.291 47 V C 0.937 177.156 176.094 0.208 0.000 1.049 47 V CA -0.276 62.128 62.300 0.173 0.000 1.038 47 V CB 0.735 32.621 31.823 0.104 0.000 0.980 47 V HN 0.739 nan 8.190 nan 0.000 0.481 48 A N 6.804 129.718 122.820 0.157 0.000 2.289 48 A HA 0.753 5.084 4.320 0.018 0.000 0.298 48 A C -0.475 177.022 177.584 -0.145 0.000 1.208 48 A CA -0.367 51.616 52.037 -0.090 0.000 0.845 48 A CB 0.093 19.090 19.000 -0.004 0.000 1.125 48 A HN 0.757 nan 8.150 nan 0.000 0.517 49 I N 2.201 122.506 120.570 -0.442 0.000 2.433 49 I HA 0.412 4.593 4.170 0.018 0.000 0.292 49 I C -1.343 174.331 176.117 -0.739 0.000 1.001 49 I CA -0.296 60.755 61.300 -0.415 0.000 1.119 49 I CB 1.728 39.600 38.000 -0.214 0.000 1.289 49 I HN 0.550 nan 8.210 nan 0.000 0.438 50 F N 6.535 126.342 119.950 -0.239 0.000 2.460 50 F HA 0.539 5.077 4.527 0.018 0.000 0.341 50 F C -0.316 175.330 175.800 -0.256 0.000 1.130 50 F CA -0.564 57.335 58.000 -0.169 0.000 0.962 50 F CB 1.255 40.241 39.000 -0.024 0.000 1.171 50 F HN 0.089 nan 8.300 nan 0.000 0.436 51 L N 2.538 123.679 121.223 -0.136 0.000 2.329 51 L HA 0.712 5.063 4.340 0.018 0.000 0.279 51 L C 0.737 177.528 176.870 -0.131 0.000 1.014 51 L CA -0.952 53.766 54.840 -0.204 0.000 0.814 51 L CB 1.703 43.510 42.059 -0.420 0.000 1.257 51 L HN 0.891 nan 8.230 nan 0.000 0.424 52 G N 3.333 112.081 108.800 -0.088 0.000 2.248 52 G HA2 -0.236 3.735 3.960 0.018 0.000 0.263 52 G HA3 -0.236 3.735 3.960 0.018 0.000 0.263 52 G C -0.198 174.768 174.900 0.110 0.000 1.082 52 G CA -0.450 44.617 45.100 -0.056 0.000 0.863 52 G HN 0.485 nan 8.290 nan 0.000 0.495 53 I N 2.244 122.842 120.570 0.047 0.000 2.396 53 I HA 0.229 4.410 4.170 0.018 0.000 0.289 53 I C -1.449 174.616 176.117 -0.087 0.000 1.056 53 I CA -2.121 59.154 61.300 -0.040 0.000 1.365 53 I CB 1.228 39.116 38.000 -0.187 0.000 1.407 53 I HN -0.001 nan 8.210 nan 0.000 0.509 54 P HA 0.044 nan 4.420 nan 0.000 0.282 54 P C -0.137 176.916 177.300 -0.412 0.000 1.274 54 P CA -0.110 62.677 63.100 -0.521 0.000 0.770 54 P CB 0.422 31.840 31.700 -0.470 0.000 0.867 55 F N 1.900 121.567 119.950 -0.472 0.000 2.695 55 F HA 0.709 5.249 4.527 0.022 0.000 0.303 55 F C 0.141 175.871 175.800 -0.117 0.000 1.091 55 F CA -0.938 56.832 58.000 -0.382 0.000 1.300 55 F CB 0.133 38.862 39.000 -0.451 0.000 1.071 55 F HN 0.335 nan 8.300 nan 0.000 0.578 56 A N 0.838 123.295 122.820 -0.606 0.000 2.610 56 A HA 0.480 4.811 4.320 0.018 0.000 0.291 56 A C -1.132 176.221 177.584 -0.384 0.000 1.086 56 A CA -1.162 50.638 52.037 -0.395 0.000 0.677 56 A CB 0.827 19.569 19.000 -0.430 0.000 1.278 56 A HN 0.242 nan 8.150 nan 0.000 0.414 57 K N 1.379 121.641 120.400 -0.229 0.000 2.379 57 K HA 0.348 4.679 4.320 0.018 0.000 0.284 57 K C -2.364 174.104 176.600 -0.219 0.000 1.044 57 K CA -1.094 55.082 56.287 -0.185 0.000 0.974 57 K CB 0.140 32.577 32.500 -0.105 0.000 0.962 57 K HN 0.281 nan 8.250 nan 0.000 0.474 58 P HA -0.078 nan 4.420 nan 0.000 0.253 58 P C -2.356 174.846 177.300 -0.163 0.000 1.159 58 P CA -0.654 62.321 63.100 -0.207 0.000 0.779 58 P CB 0.022 31.639 31.700 -0.139 0.000 0.745 59 P HA -0.005 nan 4.420 nan 0.000 0.235 59 P C -0.458 176.756 177.300 -0.143 0.000 1.720 59 P CA 0.619 63.626 63.100 -0.154 0.000 1.003 59 P CB -0.052 31.553 31.700 -0.159 0.000 1.968 60 L N -0.055 121.098 121.223 -0.115 0.000 2.347 60 L HA 0.653 5.004 4.340 0.018 0.000 0.268 60 L C 1.642 178.471 176.870 -0.069 0.000 1.019 60 L CA -0.382 54.404 54.840 -0.091 0.000 0.806 60 L CB 0.351 42.364 42.059 -0.076 0.000 1.339 60 L HN 0.293 nan 8.230 nan 0.000 0.463 61 G N 0.752 109.524 108.800 -0.047 0.000 2.614 61 G HA2 -0.271 3.699 3.960 0.018 0.000 0.303 61 G HA3 -0.271 3.699 3.960 0.018 0.000 0.303 61 G C -1.539 173.343 174.900 -0.030 0.000 1.270 61 G CA 0.246 45.328 45.100 -0.031 0.000 0.988 61 G HN 0.615 nan 8.290 nan 0.000 0.551 62 P HA 0.025 nan 4.420 nan 0.000 0.231 62 P C 1.876 179.158 177.300 -0.030 0.000 1.158 62 P CA 1.038 64.135 63.100 -0.004 0.000 0.763 62 P CB -0.075 31.630 31.700 0.009 0.000 0.805 63 L N -1.114 120.072 121.223 -0.062 0.000 2.552 63 L HA 0.043 4.394 4.340 0.018 0.000 0.227 63 L C 1.731 178.494 176.870 -0.179 0.000 1.146 63 L CA 0.102 54.880 54.840 -0.103 0.000 0.858 63 L CB -0.479 41.521 42.059 -0.099 0.000 0.969 63 L HN -0.014 nan 8.230 nan 0.000 0.451 64 R N 0.322 120.714 120.500 -0.179 0.000 2.590 64 R HA 0.005 4.356 4.340 0.018 0.000 0.274 64 R C -0.225 175.842 176.300 -0.387 0.000 1.061 64 R CA -0.124 55.750 56.100 -0.376 0.000 1.081 64 R CB 0.242 30.328 30.300 -0.357 0.000 0.984 64 R HN 0.031 nan 8.270 nan 0.000 0.448 65 F N 0.207 119.849 119.950 -0.512 0.000 3.039 65 F HA -0.279 4.252 4.527 0.006 0.000 0.287 65 F C -0.054 174.863 175.800 -1.473 0.000 0.956 65 F CA 1.256 58.608 58.000 -1.080 0.000 0.971 65 F CB -2.352 36.462 39.000 -0.310 0.000 0.943 65 F HN 0.661 nan 8.300 nan 0.000 0.766 66 T N -3.740 110.082 114.554 -1.220 0.000 2.802 66 T HA 0.687 5.048 4.350 0.018 0.000 0.311 66 T C -3.071 171.435 174.700 -0.322 0.000 1.405 66 T CA -2.167 59.488 62.100 -0.742 0.000 1.016 66 T CB 2.827 71.518 68.868 -0.295 0.000 1.352 66 T HN -0.236 nan 8.240 nan 0.000 0.498 67 P HA 0.268 nan 4.420 nan 0.000 0.267 67 P C -2.564 174.772 177.300 0.060 0.000 1.201 67 P CA -0.648 62.531 63.100 0.132 0.000 0.775 67 P CB -0.518 31.270 31.700 0.147 0.000 0.854 68 P HA 0.115 nan 4.420 nan 0.000 0.271 68 P C -0.555 176.777 177.300 0.052 0.000 1.233 68 P CA 0.306 63.447 63.100 0.069 0.000 0.764 68 P CB 0.379 32.169 31.700 0.149 0.000 0.825 69 Q N 4.449 124.251 119.800 0.003 0.000 2.230 69 Q HA 0.323 4.674 4.340 0.018 0.000 0.253 69 Q C -2.270 173.732 176.000 0.003 0.000 0.919 69 Q CA -2.210 53.597 55.803 0.008 0.000 0.908 69 Q CB 0.882 29.611 28.738 -0.016 0.000 1.245 69 Q HN 0.297 nan 8.270 nan 0.000 0.437 70 P HA -0.065 nan 4.420 nan 0.000 0.264 70 P C -1.130 176.150 177.300 -0.034 0.000 1.193 70 P CA 0.241 63.370 63.100 0.049 0.000 0.763 70 P CB 0.525 32.293 31.700 0.113 0.000 0.810 71 A N 3.603 126.336 122.820 -0.145 0.000 2.448 71 A HA 0.080 4.411 4.320 0.018 0.000 0.239 71 A C 0.167 177.672 177.584 -0.130 0.000 1.080 71 A CA -0.063 51.863 52.037 -0.184 0.000 0.779 71 A CB -0.114 18.753 19.000 -0.221 0.000 1.026 71 A HN 0.555 nan 8.150 nan 0.000 0.499 72 E N 2.113 122.308 120.200 -0.007 0.000 2.227 72 E HA 0.352 4.713 4.350 0.018 0.000 0.282 72 E C -2.329 174.353 176.600 0.137 0.000 1.015 72 E CA -1.781 54.654 56.400 0.059 0.000 0.823 72 E CB 0.696 30.429 29.700 0.055 0.000 1.081 72 E HN 0.524 nan 8.360 nan 0.000 0.396 73 P HA -0.054 nan 4.420 nan 0.000 0.268 73 P C -1.124 176.187 177.300 0.018 0.000 1.204 73 P CA -0.149 62.895 63.100 -0.092 0.000 0.768 73 P CB 0.195 31.823 31.700 -0.120 0.000 0.842 74 W N 1.615 122.946 121.300 0.052 0.000 2.381 74 W HA 0.501 5.169 4.660 0.014 0.000 0.329 74 W C 0.578 177.063 176.519 -0.056 0.000 1.157 74 W CA -0.746 56.603 57.345 0.007 0.000 1.240 74 W CB -0.326 29.166 29.460 0.052 0.000 1.199 74 W HN 0.177 nan 8.180 nan 0.000 0.579 75 S N 1.224 116.928 115.700 0.007 0.000 2.603 75 S HA 0.130 4.611 4.470 0.018 0.000 0.220 75 S C 0.250 174.569 174.600 -0.468 0.000 0.967 75 S CA 0.297 58.299 58.200 -0.330 0.000 0.920 75 S CB -0.386 62.472 63.200 -0.571 0.000 0.773 75 S HN 0.514 nan 8.310 nan 0.000 0.529 76 F N -0.670 119.423 119.950 0.237 0.000 2.669 76 F HA 0.442 4.981 4.527 0.019 0.000 0.172 76 F C -0.396 175.565 175.800 0.268 0.000 1.502 76 F CA -1.014 57.100 58.000 0.189 0.000 1.099 76 F CB 0.531 39.611 39.000 0.132 0.000 1.945 76 F HN -0.322 nan 8.300 nan 0.000 0.181 77 V N 1.573 121.772 119.914 0.474 0.000 2.349 77 V HA 0.290 4.420 4.120 0.018 0.000 0.284 77 V C -0.648 175.566 176.094 0.199 0.000 1.014 77 V CA -0.835 61.656 62.300 0.318 0.000 0.826 77 V CB 1.138 33.080 31.823 0.198 0.000 1.009 77 V HN 0.307 nan 8.190 nan 0.000 0.431 78 K N 3.765 124.220 120.400 0.092 0.000 2.339 78 K HA 0.246 4.577 4.320 0.018 0.000 0.286 78 K C 0.166 176.723 176.600 -0.071 0.000 1.050 78 K CA -0.084 56.090 56.287 -0.188 0.000 0.956 78 K CB 0.331 32.355 32.500 -0.792 0.000 0.990 78 K HN 0.579 nan 8.250 nan 0.000 0.475 79 N N 3.067 121.725 118.700 -0.070 0.000 2.605 79 N HA 0.134 4.885 4.740 0.018 0.000 0.258 79 N C -1.013 174.459 175.510 -0.063 0.000 1.156 79 N CA -0.010 53.014 53.050 -0.043 0.000 1.008 79 N CB 1.128 39.587 38.487 -0.045 0.000 1.354 79 N HN 0.568 nan 8.380 nan 0.000 0.509 80 A N 1.567 124.378 122.820 -0.014 0.000 3.063 80 A HA 0.186 4.517 4.320 0.018 0.000 0.263 80 A C 1.019 178.554 177.584 -0.081 0.000 1.736 80 A CA -0.338 51.688 52.037 -0.019 0.000 1.408 80 A CB -0.763 18.308 19.000 0.117 0.000 1.108 80 A HN 0.519 nan 8.150 nan 0.000 0.621 81 T N -3.332 111.145 114.554 -0.130 0.000 3.170 81 T HA 0.363 4.724 4.350 0.018 0.000 0.288 81 T C 0.359 174.934 174.700 -0.209 0.000 0.992 81 T CA 0.085 62.078 62.100 -0.177 0.000 0.909 81 T CB 0.026 68.814 68.868 -0.133 0.000 1.133 81 T HN 0.226 nan 8.240 nan 0.000 0.530 82 S N 0.302 115.873 115.700 -0.215 0.000 2.600 82 S HA 0.652 5.133 4.470 0.018 0.000 0.300 82 S C -1.458 172.978 174.600 -0.274 0.000 1.087 82 S CA -0.700 57.379 58.200 -0.202 0.000 0.965 82 S CB 0.912 64.038 63.200 -0.124 0.000 1.089 82 S HN 0.321 nan 8.310 nan 0.000 0.496 83 Y N 3.318 123.561 120.300 -0.095 0.000 2.436 83 Y HA 0.261 4.821 4.550 0.017 0.000 0.336 83 Y C -1.649 174.153 175.900 -0.162 0.000 1.049 83 Y CA -1.525 56.517 58.100 -0.096 0.000 1.294 83 Y CB 0.218 38.640 38.460 -0.062 0.000 1.179 83 Y HN 0.370 nan 8.280 nan 0.000 0.520 84 P HA 0.148 nan 4.420 nan 0.000 0.271 84 P C -2.682 174.521 177.300 -0.163 0.000 1.218 84 P CA -1.432 61.487 63.100 -0.301 0.000 0.780 84 P CB 0.841 32.303 31.700 -0.398 0.000 0.901 85 P HA 0.172 nan 4.420 nan 0.000 0.271 85 P C -0.129 177.123 177.300 -0.081 0.000 1.233 85 P CA 0.098 63.119 63.100 -0.131 0.000 0.789 85 P CB 0.235 31.845 31.700 -0.150 0.000 0.951 86 M N -0.699 118.858 119.600 -0.073 0.000 2.472 86 M HA 0.485 4.976 4.480 0.018 0.000 0.331 86 M C -0.725 175.520 176.300 -0.093 0.000 1.170 86 M CA -0.808 54.456 55.300 -0.061 0.000 1.009 86 M CB 0.736 33.295 32.600 -0.068 0.000 1.672 86 M HN 0.111 nan 8.290 nan 0.000 0.453 87 c N 1.757 120.303 118.600 -0.091 0.000 2.634 87 c HA 0.105 4.686 4.570 0.018 0.000 0.417 87 c C 1.054 175.017 174.090 -0.212 0.000 1.334 87 c CA -0.161 56.065 56.329 -0.172 0.000 1.829 87 c CB -0.561 41.877 42.510 -0.121 0.000 2.665 87 c HN 0.859 nan 8.230 nan 0.000 0.614 88 T N 4.228 118.510 114.554 -0.454 0.000 2.891 88 T HA 0.270 4.631 4.350 0.018 0.000 0.296 88 T C -0.002 174.675 174.700 -0.038 0.000 1.025 88 T CA 0.585 62.439 62.100 -0.410 0.000 1.149 88 T CB -0.156 68.127 68.868 -0.975 0.000 1.007 88 T HN 0.902 nan 8.240 nan 0.000 0.528 89 Q N 0.803 120.651 119.800 0.080 0.000 2.829 89 Q HA 0.276 4.627 4.340 0.018 0.000 0.296 89 Q C -1.602 174.471 176.000 0.123 0.000 0.893 89 Q CA -1.167 54.741 55.803 0.175 0.000 0.772 89 Q CB 0.659 29.474 28.738 0.129 0.000 1.489 89 Q HN 0.307 nan 8.270 nan 0.000 0.420 90 D N 2.800 123.279 120.400 0.131 0.000 2.503 90 D HA -0.030 4.620 4.640 0.018 0.000 0.280 90 D C -1.067 175.264 176.300 0.052 0.000 1.405 90 D CA -0.791 53.261 54.000 0.088 0.000 1.049 90 D CB 0.821 41.675 40.800 0.089 0.000 1.127 90 D HN 0.332 nan 8.370 nan 0.000 0.551 91 P HA -0.227 nan 4.420 nan 0.000 0.217 91 P C 0.939 178.240 177.300 0.002 0.000 1.151 91 P CA 1.432 64.538 63.100 0.010 0.000 0.849 91 P CB 0.441 32.144 31.700 0.005 0.000 0.787 92 K N -0.311 120.094 120.400 0.008 0.000 2.029 92 K HA 0.109 4.440 4.320 0.018 0.000 0.205 92 K C 2.536 179.136 176.600 0.000 0.000 1.042 92 K CA 0.963 57.250 56.287 -0.000 0.000 0.949 92 K CB -0.691 31.810 32.500 0.001 0.000 0.740 92 K HN -0.040 nan 8.250 nan 0.000 0.442 93 A N 1.539 124.367 122.820 0.014 0.000 1.927 93 A HA -0.173 4.158 4.320 0.018 0.000 0.220 93 A C 2.358 179.952 177.584 0.016 0.000 1.185 93 A CA 2.244 54.291 52.037 0.017 0.000 0.639 93 A CB -1.319 17.707 19.000 0.043 0.000 0.820 93 A HN 0.470 nan 8.150 nan 0.000 0.451 94 G N -1.411 107.402 108.800 0.022 0.000 2.403 94 G HA2 -0.169 3.802 3.960 0.018 0.000 0.216 94 G HA3 -0.169 3.802 3.960 0.018 0.000 0.216 94 G C 1.602 176.493 174.900 -0.015 0.000 1.154 94 G CA 0.971 46.080 45.100 0.016 0.000 0.784 94 G HN 0.647 nan 8.290 nan 0.000 0.538 95 Q N -0.432 119.353 119.800 -0.024 0.000 2.123 95 Q HA -0.016 4.335 4.340 0.018 0.000 0.199 95 Q C 2.373 178.343 176.000 -0.050 0.000 0.966 95 Q CA 0.995 56.772 55.803 -0.043 0.000 0.845 95 Q CB -0.175 28.539 28.738 -0.039 0.000 0.907 95 Q HN 0.395 nan 8.270 nan 0.000 0.439 96 L N 0.558 121.755 121.223 -0.043 0.000 2.005 96 L HA -0.136 4.215 4.340 0.018 0.000 0.207 96 L C 2.178 178.991 176.870 -0.094 0.000 1.072 96 L CA 1.564 56.370 54.840 -0.056 0.000 0.744 96 L CB -0.798 41.233 42.059 -0.047 0.000 0.895 96 L HN 0.384 nan 8.230 nan 0.000 0.433 97 L N -0.783 120.386 121.223 -0.090 0.000 2.127 97 L HA -0.205 4.146 4.340 0.018 0.000 0.211 97 L C 2.677 179.461 176.870 -0.143 0.000 1.089 97 L CA 2.032 56.781 54.840 -0.151 0.000 0.757 97 L CB -0.704 41.357 42.059 0.003 0.000 0.899 97 L HN 0.538 nan 8.230 nan 0.000 0.434 98 S N -1.057 114.595 115.700 -0.079 0.000 2.406 98 S HA -0.168 4.313 4.470 0.018 0.000 0.228 98 S C 1.835 176.357 174.600 -0.129 0.000 1.020 98 S CA 1.264 59.402 58.200 -0.104 0.000 0.965 98 S CB -0.284 62.849 63.200 -0.111 0.000 0.798 98 S HN 0.643 nan 8.310 nan 0.000 0.488 99 E N 0.588 120.725 120.200 -0.104 0.000 2.072 99 E HA -0.088 4.272 4.350 0.018 0.000 0.191 99 E C 2.114 178.681 176.600 -0.055 0.000 0.985 99 E CA 1.290 57.645 56.400 -0.075 0.000 0.801 99 E CB -0.257 29.413 29.700 -0.050 0.000 0.750 99 E HN 0.478 nan 8.360 nan 0.000 0.452 100 L N -0.127 121.031 121.223 -0.108 0.000 2.027 100 L HA -0.162 4.189 4.340 0.018 0.000 0.206 100 L C 2.283 179.144 176.870 -0.014 0.000 1.074 100 L CA 1.038 55.823 54.840 -0.091 0.000 0.745 100 L CB -0.249 41.639 42.059 -0.284 0.000 0.898 100 L HN 0.086 nan 8.230 nan 0.000 0.433 101 F N -0.544 119.366 119.950 -0.067 0.000 2.293 101 F HA -0.026 4.511 4.527 0.017 0.000 0.297 101 F C 1.824 177.313 175.800 -0.517 0.000 1.089 101 F CA 0.035 57.866 58.000 -0.281 0.000 1.377 101 F CB -1.176 37.649 39.000 -0.292 0.000 1.051 101 F HN -0.060 nan 8.300 nan 0.000 0.511 102 T N 1.815 116.214 114.554 -0.258 0.000 2.856 102 T HA -0.183 4.178 4.350 0.018 0.000 0.327 102 T C 1.011 175.538 174.700 -0.287 0.000 1.061 102 T CA 0.726 62.618 62.100 -0.347 0.000 1.131 102 T CB 0.111 68.856 68.868 -0.206 0.000 1.083 102 T HN 0.490 nan 8.240 nan 0.000 0.518 103 N N 2.755 121.275 118.700 -0.300 0.000 2.238 103 N HA 0.092 4.842 4.740 0.018 0.000 0.235 103 N C -0.169 175.264 175.510 -0.128 0.000 1.209 103 N CA -0.615 52.311 53.050 -0.207 0.000 0.879 103 N CB 0.209 38.564 38.487 -0.219 0.000 1.136 103 N HN 0.766 nan 8.380 nan 0.000 0.517 104 R N 0.003 120.434 120.500 -0.115 0.000 2.778 104 R HA 0.440 4.791 4.340 0.018 0.000 0.277 104 R C 1.058 177.319 176.300 -0.066 0.000 0.977 104 R CA -0.928 55.130 56.100 -0.070 0.000 0.950 104 R CB 1.440 31.708 30.300 -0.054 0.000 1.165 104 R HN -0.115 nan 8.270 nan 0.000 0.474 105 K N 0.905 121.281 120.400 -0.040 0.000 2.044 105 K HA -0.227 4.104 4.320 0.018 0.000 0.210 105 K C -0.270 176.315 176.600 -0.025 0.000 1.049 105 K CA 1.753 58.025 56.287 -0.026 0.000 0.927 105 K CB -0.337 32.161 32.500 -0.003 0.000 0.713 105 K HN 0.782 nan 8.250 nan 0.000 0.443 106 E N 1.619 121.801 120.200 -0.029 0.000 2.129 106 E HA 0.177 4.538 4.350 0.018 0.000 0.268 106 E C -1.029 175.531 176.600 -0.067 0.000 0.900 106 E CA -0.889 55.489 56.400 -0.038 0.000 0.755 106 E CB 1.145 30.828 29.700 -0.028 0.000 1.117 106 E HN 0.208 nan 8.360 nan 0.000 0.410 107 N N 3.717 122.373 118.700 -0.074 0.000 2.415 107 N HA 0.027 4.777 4.740 0.018 0.000 0.248 107 N C -0.548 174.882 175.510 -0.132 0.000 1.271 107 N CA -0.201 52.784 53.050 -0.108 0.000 0.913 107 N CB 0.531 38.962 38.487 -0.093 0.000 1.129 107 N HN 0.466 nan 8.380 nan 0.000 0.444 108 I N 3.483 123.938 120.570 -0.192 0.000 2.389 108 I HA 0.333 4.514 4.170 0.018 0.000 0.288 108 I C -1.928 174.067 176.117 -0.204 0.000 0.999 108 I CA -2.183 58.971 61.300 -0.245 0.000 1.129 108 I CB 1.036 38.753 38.000 -0.472 0.000 1.288 108 I HN 0.493 nan 8.210 nan 0.000 0.444 109 P HA 0.390 nan 4.420 nan 0.000 0.274 109 P C -1.085 176.146 177.300 -0.114 0.000 1.231 109 P CA -0.302 62.732 63.100 -0.110 0.000 0.790 109 P CB 1.424 33.078 31.700 -0.077 0.000 0.951 110 L N 0.816 121.984 121.223 -0.091 0.000 2.388 110 L HA 0.493 4.843 4.340 0.018 0.000 0.264 110 L C 0.321 177.152 176.870 -0.065 0.000 0.998 110 L CA -1.220 53.572 54.840 -0.080 0.000 0.817 110 L CB 2.220 44.229 42.059 -0.084 0.000 1.338 110 L HN 0.239 nan 8.230 nan 0.000 0.414 111 K N 1.508 121.869 120.400 -0.065 0.000 2.144 111 K HA 0.583 4.914 4.320 0.018 0.000 0.270 111 K C -0.979 175.575 176.600 -0.078 0.000 1.005 111 K CA -0.160 56.088 56.287 -0.065 0.000 0.932 111 K CB 0.952 33.413 32.500 -0.065 0.000 1.021 111 K HN 0.410 nan 8.250 nan 0.000 0.462 112 L N 1.954 123.129 121.223 -0.079 0.000 2.307 112 L HA 0.487 4.838 4.340 0.018 0.000 0.282 112 L C -0.151 176.641 176.870 -0.130 0.000 1.051 112 L CA -0.418 54.361 54.840 -0.103 0.000 0.804 112 L CB 1.655 43.661 42.059 -0.088 0.000 1.197 112 L HN 0.594 nan 8.230 nan 0.000 0.431 113 S N 0.847 116.442 115.700 -0.176 0.000 2.547 113 S HA 0.234 4.714 4.470 0.018 0.000 0.270 113 S C 0.218 174.645 174.600 -0.289 0.000 1.150 113 S CA -0.612 57.471 58.200 -0.196 0.000 0.850 113 S CB 1.640 64.761 63.200 -0.132 0.000 1.118 113 S HN 0.745 nan 8.310 nan 0.000 0.461 114 E N 0.809 120.815 120.200 -0.324 0.000 2.208 114 E HA -0.056 4.305 4.350 0.018 0.000 0.193 114 E C -0.318 176.133 176.600 -0.248 0.000 0.988 114 E CA 0.522 56.669 56.400 -0.423 0.000 0.828 114 E CB 0.060 29.531 29.700 -0.382 0.000 0.763 114 E HN 0.544 nan 8.360 nan 0.000 0.478 115 D N 0.450 120.766 120.400 -0.140 0.000 2.435 115 D HA -0.011 4.640 4.640 0.018 0.000 0.230 115 D C -0.040 176.329 176.300 0.114 0.000 1.215 115 D CA -0.228 53.754 54.000 -0.029 0.000 0.947 115 D CB 0.040 40.852 40.800 0.020 0.000 1.048 115 D HN 0.152 nan 8.370 nan 0.000 0.512 116 c N 2.577 121.220 118.600 0.071 0.000 3.626 116 c HA 0.374 4.955 4.570 0.018 0.000 0.276 116 c C 0.663 174.880 174.090 0.211 0.000 1.694 116 c CA -0.728 55.712 56.329 0.185 0.000 1.785 116 c CB -1.368 41.148 42.510 0.010 0.000 3.152 116 c HN 0.442 nan 8.230 nan 0.000 0.571 117 L N 2.611 123.740 121.223 -0.156 0.000 2.395 117 L HA 0.398 4.748 4.340 0.018 0.000 0.268 117 L C -0.843 175.524 176.870 -0.839 0.000 1.223 117 L CA 0.543 55.060 54.840 -0.538 0.000 1.093 117 L CB -0.634 40.876 42.059 -0.915 0.000 1.349 117 L HN 0.390 nan 8.230 nan 0.000 0.427 118 Y N 1.928 122.198 120.300 -0.051 0.000 2.638 118 Y HA 0.704 5.265 4.550 0.019 0.000 0.339 118 Y C -0.250 175.789 175.900 0.231 0.000 1.084 118 Y CA -1.357 56.758 58.100 0.025 0.000 1.068 118 Y CB 1.885 40.311 38.460 -0.057 0.000 1.294 118 Y HN 0.155 nan 8.280 nan 0.000 0.480 119 L N -0.305 121.059 121.223 0.236 0.000 2.424 119 L HA 0.767 5.118 4.340 0.018 0.000 0.258 119 L C -1.405 175.462 176.870 -0.005 0.000 0.995 119 L CA -1.047 53.849 54.840 0.094 0.000 0.821 119 L CB 1.819 43.834 42.059 -0.074 0.000 1.383 119 L HN 0.402 nan 8.230 nan 0.000 0.410 120 N N 1.721 120.435 118.700 0.024 0.000 2.430 120 N HA 0.763 5.513 4.740 0.018 0.000 0.298 120 N C -1.111 174.293 175.510 -0.175 0.000 1.130 120 N CA -0.273 52.724 53.050 -0.089 0.000 0.894 120 N CB 2.437 40.906 38.487 -0.031 0.000 1.209 120 N HN 0.684 nan 8.380 nan 0.000 0.503 121 I N 1.297 121.662 120.570 -0.342 0.000 2.582 121 I HA 0.329 4.510 4.170 0.018 0.000 0.292 121 I C -1.279 174.587 176.117 -0.419 0.000 1.066 121 I CA -0.802 60.334 61.300 -0.273 0.000 1.053 121 I CB 1.554 39.377 38.000 -0.295 0.000 1.241 121 I HN 0.339 nan 8.210 nan 0.000 0.421 122 Y N 2.819 123.211 120.300 0.153 0.000 2.426 122 Y HA 0.393 4.954 4.550 0.018 0.000 0.325 122 Y C 0.288 176.277 175.900 0.149 0.000 0.989 122 Y CA -0.848 57.338 58.100 0.143 0.000 1.284 122 Y CB 1.850 40.366 38.460 0.094 0.000 1.104 122 Y HN 0.394 nan 8.280 nan 0.000 0.481 123 T N 4.770 119.502 114.554 0.297 0.000 2.770 123 T HA 0.374 4.735 4.350 0.018 0.000 0.283 123 T C -2.326 172.493 174.700 0.199 0.000 0.988 123 T CA -2.403 59.849 62.100 0.253 0.000 0.957 123 T CB 1.276 70.332 68.868 0.314 0.000 0.930 123 T HN 0.385 nan 8.240 nan 0.000 0.443 124 P HA 0.351 nan 4.420 nan 0.000 0.254 124 P C -0.206 177.146 177.300 0.088 0.000 1.494 124 P CA -0.248 62.893 63.100 0.069 0.000 0.961 124 P CB -0.034 31.654 31.700 -0.020 0.000 1.493 125 A N 0.159 123.056 122.820 0.129 0.000 2.306 125 A HA 0.441 4.772 4.320 0.018 0.000 0.330 125 A C -0.355 177.316 177.584 0.146 0.000 1.146 125 A CA -0.440 51.669 52.037 0.120 0.000 0.827 125 A CB 0.353 19.424 19.000 0.118 0.000 1.178 125 A HN -0.082 nan 8.150 nan 0.000 0.490 126 D N 1.795 122.268 120.400 0.121 0.000 2.352 126 D HA 0.232 4.883 4.640 0.018 0.000 0.245 126 D C 0.919 177.294 176.300 0.126 0.000 1.224 126 D CA -0.031 54.050 54.000 0.135 0.000 0.879 126 D CB 0.290 41.147 40.800 0.096 0.000 1.057 126 D HN 0.410 nan 8.370 nan 0.000 0.491 127 L N 2.783 124.100 121.223 0.158 0.000 2.549 127 L HA -0.094 4.257 4.340 0.018 0.000 0.230 127 L C 1.928 178.844 176.870 0.077 0.000 1.162 127 L CA 1.056 55.964 54.840 0.112 0.000 0.834 127 L CB -0.600 41.536 42.059 0.127 0.000 0.947 127 L HN 0.482 nan 8.230 nan 0.000 0.452 128 T N -4.088 110.520 114.554 0.090 0.000 3.163 128 T HA 0.168 4.528 4.350 0.018 0.000 0.252 128 T C 0.497 175.224 174.700 0.046 0.000 1.056 128 T CA -0.245 61.894 62.100 0.065 0.000 0.947 128 T CB 0.079 68.991 68.868 0.074 0.000 1.016 128 T HN 0.161 nan 8.240 nan 0.000 0.554 129 K N 0.867 121.295 120.400 0.047 0.000 2.502 129 K HA 0.402 4.732 4.320 0.018 0.000 0.257 129 K C -0.997 175.621 176.600 0.030 0.000 0.938 129 K CA -0.974 55.334 56.287 0.035 0.000 0.819 129 K CB 2.517 35.040 32.500 0.039 0.000 1.333 129 K HN -0.002 nan 8.250 nan 0.000 0.434 130 K N 2.366 122.777 120.400 0.019 0.000 2.416 130 K HA 0.057 4.388 4.320 0.018 0.000 0.283 130 K C -0.841 175.773 176.600 0.023 0.000 1.037 130 K CA 0.417 56.713 56.287 0.014 0.000 0.995 130 K CB 0.306 32.809 32.500 0.006 0.000 0.938 130 K HN 0.484 nan 8.250 nan 0.000 0.475 131 N N 3.464 122.180 118.700 0.028 0.000 2.324 131 N HA 0.256 5.007 4.740 0.018 0.000 0.285 131 N C -1.568 173.963 175.510 0.035 0.000 1.076 131 N CA -0.705 52.367 53.050 0.036 0.000 0.864 131 N CB 1.715 40.235 38.487 0.054 0.000 1.632 131 N HN 0.401 nan 8.380 nan 0.000 0.478 132 R N 1.885 122.401 120.500 0.026 0.000 2.651 132 R HA 0.462 4.813 4.340 0.018 0.000 0.282 132 R C -0.560 175.752 176.300 0.019 0.000 1.565 132 R CA -0.271 55.841 56.100 0.020 0.000 1.661 132 R CB 0.108 30.409 30.300 0.002 0.000 1.189 132 R HN 0.443 nan 8.270 nan 0.000 0.621 133 L N 2.642 123.887 121.223 0.037 0.000 2.399 133 L HA 0.563 4.914 4.340 0.018 0.000 0.266 133 L C -1.697 175.192 176.870 0.031 0.000 1.114 133 L CA -2.120 52.740 54.840 0.034 0.000 0.804 133 L CB 0.958 43.048 42.059 0.051 0.000 1.146 133 L HN 0.164 nan 8.230 nan 0.000 0.451 134 P HA 0.040 nan 4.420 nan 0.000 0.269 134 P C -0.800 176.529 177.300 0.049 0.000 1.209 134 P CA -0.106 63.002 63.100 0.012 0.000 0.776 134 P CB 0.956 32.650 31.700 -0.010 0.000 0.876 135 V N 4.554 124.512 119.914 0.073 0.000 2.472 135 V HA 0.360 4.490 4.120 0.018 0.000 0.290 135 V C 0.701 176.881 176.094 0.143 0.000 1.037 135 V CA -0.337 62.034 62.300 0.118 0.000 0.908 135 V CB 1.131 33.037 31.823 0.137 0.000 0.985 135 V HN 0.482 nan 8.190 nan 0.000 0.454 136 M N 4.674 124.386 119.600 0.187 0.000 2.018 136 M HA 0.396 4.887 4.480 0.018 0.000 0.311 136 M C -1.068 175.520 176.300 0.480 0.000 0.928 136 M CA -0.502 54.969 55.300 0.284 0.000 0.911 136 M CB 1.679 34.369 32.600 0.151 0.000 1.447 136 M HN 0.377 nan 8.290 nan 0.000 0.407 137 V N 3.577 123.737 119.914 0.410 0.000 2.408 137 V HA 0.192 4.323 4.120 0.018 0.000 0.267 137 V C -0.350 175.897 176.094 0.255 0.000 1.047 137 V CA -0.430 62.044 62.300 0.291 0.000 0.937 137 V CB 0.548 32.458 31.823 0.145 0.000 0.999 137 V HN 0.805 nan 8.190 nan 0.000 0.472 138 W N 7.280 128.542 121.300 -0.064 0.000 2.351 138 W HA 0.578 5.249 4.660 0.018 0.000 0.311 138 W C -1.164 175.170 176.519 -0.308 0.000 1.168 138 W CA -1.049 55.996 57.345 -0.499 0.000 1.200 138 W CB 1.163 30.296 29.460 -0.545 0.000 1.221 138 W HN 0.415 nan 8.180 nan 0.000 0.519 139 I N 8.100 127.930 120.570 -1.233 0.000 2.330 139 I HA 0.057 4.237 4.170 0.018 0.000 0.289 139 I C 1.235 176.522 176.117 -1.384 0.000 1.001 139 I CA -0.766 59.962 61.300 -0.952 0.000 1.193 139 I CB 0.881 38.442 38.000 -0.731 0.000 1.345 139 I HN 0.438 nan 8.210 nan 0.000 0.461 140 H N 5.075 123.779 119.070 -0.609 0.000 2.703 140 H HA 0.427 4.993 4.556 0.017 0.000 0.377 140 H C -0.080 175.204 175.328 -0.074 0.000 1.392 140 H CA -0.373 55.543 56.048 -0.220 0.000 1.458 140 H CB 0.832 30.794 29.762 0.333 0.000 1.529 140 H HN 0.604 nan 8.280 nan 0.000 0.619 141 G N -2.721 106.236 108.800 0.262 0.000 3.016 141 G HA2 0.495 4.466 3.960 0.018 0.000 0.270 141 G HA3 0.495 4.466 3.960 0.018 0.000 0.270 141 G C -0.063 175.119 174.900 0.470 0.000 1.352 141 G CA -0.845 44.385 45.100 0.218 0.000 1.060 141 G HN 1.185 nan 8.290 nan 0.000 0.538 142 G N -2.145 106.861 108.800 0.343 0.000 2.467 142 G HA2 0.421 4.392 3.960 0.018 0.000 0.226 142 G HA3 0.421 4.392 3.960 0.018 0.000 0.226 142 G C 0.949 175.982 174.900 0.221 0.000 1.162 142 G CA 0.578 45.876 45.100 0.329 0.000 0.838 142 G HN 2.250 nan 8.290 nan 0.000 0.498 143 G N -0.053 108.845 108.800 0.163 0.000 2.439 143 G HA2 -0.173 3.798 3.960 0.018 0.000 0.305 143 G HA3 -0.173 3.798 3.960 0.018 0.000 0.305 143 G C 1.340 176.238 174.900 -0.003 0.000 0.966 143 G CA 0.946 46.084 45.100 0.064 0.000 0.890 143 G HN 1.871 nan 8.290 nan 0.000 0.513 144 L N -3.980 117.272 121.223 0.047 0.000 4.988 144 L HA -0.313 4.037 4.340 0.018 0.000 0.439 144 L C 2.151 179.084 176.870 0.105 0.000 1.080 144 L CA 1.780 56.625 54.840 0.009 0.000 1.018 144 L CB -1.272 40.487 42.059 -0.499 0.000 1.945 144 L HN 0.470 nan 8.230 nan 0.000 0.782 145 M N -1.437 118.235 119.600 0.121 0.000 2.653 145 M HA 0.273 4.764 4.480 0.018 0.000 0.259 145 M C 0.929 177.345 176.300 0.193 0.000 1.244 145 M CA 1.229 56.631 55.300 0.170 0.000 1.163 145 M CB 0.301 32.991 32.600 0.151 0.000 1.309 145 M HN 0.250 nan 8.290 nan 0.000 0.509 146 V N -2.639 117.386 119.914 0.185 0.000 3.119 146 V HA 1.048 5.179 4.120 0.018 0.000 0.311 146 V C -0.023 176.179 176.094 0.180 0.000 1.259 146 V CA -0.223 62.172 62.300 0.157 0.000 1.067 146 V CB 1.026 32.932 31.823 0.138 0.000 1.123 146 V HN 0.534 nan 8.190 nan 0.000 0.463 147 G N -1.046 107.779 108.800 0.042 0.000 2.555 147 G HA2 0.561 4.532 3.960 0.018 0.000 0.686 147 G HA3 0.561 4.532 3.960 0.018 0.000 0.686 147 G C -0.518 174.018 174.900 -0.607 0.000 1.275 147 G CA -0.175 44.796 45.100 -0.215 0.000 0.871 147 G HN 2.761 nan 8.290 nan 0.000 0.603 148 A N -1.353 120.972 122.820 -0.826 0.000 2.586 148 A HA 1.055 5.386 4.320 0.018 0.000 0.290 148 A C 0.722 178.298 177.584 -0.012 0.000 1.086 148 A CA 0.817 52.623 52.037 -0.385 0.000 0.665 148 A CB 0.609 19.533 19.000 -0.126 0.000 1.279 148 A HN 2.568 nan 8.150 nan 0.000 0.423 149 A N -0.248 122.704 122.820 0.219 0.000 1.984 149 A HA 0.256 4.587 4.320 0.018 0.000 0.214 149 A C 1.773 179.590 177.584 0.388 0.000 1.173 149 A CA 1.919 54.200 52.037 0.407 0.000 0.673 149 A CB -0.597 18.625 19.000 0.370 0.000 0.830 149 A HN 1.125 nan 8.150 nan 0.000 0.453 150 S N -0.212 115.649 115.700 0.269 0.000 2.515 150 S HA -0.079 4.402 4.470 0.018 0.000 0.231 150 S C 1.748 176.408 174.600 0.101 0.000 0.987 150 S CA 1.320 59.684 58.200 0.274 0.000 0.936 150 S CB -0.331 63.024 63.200 0.258 0.000 0.766 150 S HN 0.614 nan 8.310 nan 0.000 0.528 151 T N 1.062 115.640 114.554 0.040 0.000 2.821 151 T HA -0.021 4.339 4.350 0.018 0.000 0.267 151 T C -0.217 174.278 174.700 -0.342 0.000 1.046 151 T CA 1.004 62.975 62.100 -0.214 0.000 1.139 151 T CB -0.203 68.442 68.868 -0.370 0.000 0.871 151 T HN 0.409 nan 8.240 nan 0.000 0.454 152 Y N 2.099 122.324 120.300 -0.125 0.000 2.434 152 Y HA 0.411 4.972 4.550 0.017 0.000 0.341 152 Y C 0.076 175.927 175.900 -0.081 0.000 0.965 152 Y CA -2.295 55.614 58.100 -0.318 0.000 1.205 152 Y CB 0.152 38.145 38.460 -0.779 0.000 1.121 152 Y HN -0.050 nan 8.280 nan 0.000 0.507 153 D N 2.158 122.569 120.400 0.019 0.000 2.383 153 D HA 0.097 4.748 4.640 0.018 0.000 0.252 153 D C 1.101 177.227 176.300 -0.289 0.000 1.166 153 D CA 0.247 54.203 54.000 -0.075 0.000 0.879 153 D CB 1.675 42.471 40.800 -0.007 0.000 1.164 153 D HN 0.830 nan 8.370 nan 0.000 0.462 154 G N 3.324 111.413 108.800 -1.184 0.000 2.777 154 G HA2 -0.132 3.839 3.960 0.018 0.000 0.211 154 G HA3 -0.132 3.839 3.960 0.018 0.000 0.211 154 G C 1.440 175.983 174.900 -0.595 0.000 1.149 154 G CA 0.085 44.575 45.100 -1.016 0.000 0.785 154 G HN 0.515 nan 8.290 nan 0.000 0.536 155 L N 1.728 122.672 121.223 -0.465 0.000 2.011 155 L HA -0.210 4.141 4.340 0.018 0.000 0.225 155 L C 2.929 179.731 176.870 -0.113 0.000 1.084 155 L CA 2.732 57.508 54.840 -0.107 0.000 0.791 155 L CB -0.728 41.334 42.059 0.004 0.000 0.898 155 L HN 0.233 nan 8.230 nan 0.000 0.440 156 A N -0.901 121.876 122.820 -0.071 0.000 1.828 156 A HA -0.201 4.129 4.320 0.018 0.000 0.215 156 A C 2.224 179.763 177.584 -0.074 0.000 1.203 156 A CA 1.891 53.918 52.037 -0.017 0.000 0.614 156 A CB -1.322 17.749 19.000 0.118 0.000 0.844 156 A HN 0.543 nan 8.150 nan 0.000 0.445 157 L N 0.017 121.175 121.223 -0.108 0.000 2.010 157 L HA -0.245 4.106 4.340 0.018 0.000 0.219 157 L C 2.612 179.410 176.870 -0.120 0.000 1.077 157 L CA 2.717 57.469 54.840 -0.147 0.000 0.773 157 L CB -1.188 40.710 42.059 -0.268 0.000 0.892 157 L HN 0.444 nan 8.230 nan 0.000 0.436 158 A N -0.479 122.267 122.820 -0.123 0.000 1.834 158 A HA -0.147 4.183 4.320 0.018 0.000 0.216 158 A C 2.471 179.947 177.584 -0.180 0.000 1.203 158 A CA 2.852 54.838 52.037 -0.084 0.000 0.621 158 A CB -1.573 17.424 19.000 -0.005 0.000 0.841 158 A HN 0.697 nan 8.150 nan 0.000 0.446 159 A N -1.199 121.418 122.820 -0.339 0.000 1.859 159 A HA -0.297 4.033 4.320 0.018 0.000 0.218 159 A C 2.108 179.228 177.584 -0.774 0.000 1.209 159 A CA 2.052 53.632 52.037 -0.761 0.000 0.639 159 A CB -1.357 16.906 19.000 -1.228 0.000 0.835 159 A HN 0.695 nan 8.150 nan 0.000 0.450 160 H N -0.511 118.229 119.070 -0.549 0.000 2.289 160 H HA -0.110 4.457 4.556 0.018 0.000 0.294 160 H C 1.305 176.583 175.328 -0.083 0.000 1.095 160 H CA 1.885 57.825 56.048 -0.181 0.000 1.256 160 H CB -0.020 29.597 29.762 -0.243 0.000 1.359 160 H HN 0.432 nan 8.280 nan 0.000 0.487 161 E N 0.471 120.683 120.200 0.020 0.000 2.465 161 E HA 0.000 4.361 4.350 0.018 0.000 0.195 161 E C -0.213 176.392 176.600 0.008 0.000 1.028 161 E CA -0.309 56.104 56.400 0.023 0.000 0.899 161 E CB -0.562 29.146 29.700 0.012 0.000 1.032 161 E HN 0.432 nan 8.360 nan 0.000 0.468 162 N N 0.537 119.223 118.700 -0.024 0.000 2.608 162 N HA -0.194 4.556 4.740 0.018 0.000 0.273 162 N C -0.778 174.738 175.510 0.010 0.000 1.133 162 N CA 0.462 53.506 53.050 -0.010 0.000 0.726 162 N CB -0.676 37.824 38.487 0.021 0.000 0.890 162 N HN 0.025 nan 8.380 nan 0.000 0.548 163 V N -1.901 118.020 119.914 0.012 0.000 3.216 163 V HA 0.733 4.864 4.120 0.018 0.000 0.302 163 V C 0.027 176.162 176.094 0.068 0.000 1.286 163 V CA -0.995 61.327 62.300 0.036 0.000 1.048 163 V CB 1.979 33.816 31.823 0.023 0.000 1.081 163 V HN 0.031 nan 8.190 nan 0.000 0.442 164 V N 0.400 120.374 119.914 0.099 0.000 2.407 164 V HA 0.773 4.904 4.120 0.018 0.000 0.278 164 V C 0.105 176.304 176.094 0.176 0.000 1.037 164 V CA -0.553 61.835 62.300 0.147 0.000 0.900 164 V CB 0.807 32.720 31.823 0.150 0.000 0.983 164 V HN 0.795 nan 8.190 nan 0.000 0.459 165 V N 4.838 124.895 119.914 0.239 0.000 2.435 165 V HA 0.568 4.699 4.120 0.018 0.000 0.290 165 V C -0.096 176.234 176.094 0.393 0.000 1.030 165 V CA -0.528 61.950 62.300 0.296 0.000 0.881 165 V CB 1.698 33.649 31.823 0.213 0.000 0.983 165 V HN 0.709 nan 8.190 nan 0.000 0.445 166 V N 3.686 123.804 119.914 0.339 0.000 2.409 166 V HA 0.451 4.582 4.120 0.018 0.000 0.290 166 V C 0.212 176.490 176.094 0.308 0.000 1.017 166 V CA -0.461 62.001 62.300 0.270 0.000 0.841 166 V CB 2.013 33.934 31.823 0.165 0.000 1.003 166 V HN 1.024 nan 8.190 nan 0.000 0.426 167 T N 4.107 118.877 114.554 0.360 0.000 2.767 167 T HA 0.806 5.167 4.350 0.018 0.000 0.288 167 T C -0.378 174.488 174.700 0.275 0.000 0.963 167 T CA -0.452 61.891 62.100 0.404 0.000 1.019 167 T CB 1.103 70.277 68.868 0.509 0.000 0.923 167 T HN 0.655 nan 8.240 nan 0.000 0.468 168 I N 0.311 121.018 120.570 0.227 0.000 2.797 168 I HA 0.665 4.846 4.170 0.018 0.000 0.307 168 I C -0.762 175.552 176.117 0.328 0.000 1.033 168 I CA -1.380 60.022 61.300 0.169 0.000 1.071 168 I CB 2.177 40.151 38.000 -0.044 0.000 1.255 168 I HN 0.554 nan 8.210 nan 0.000 0.445 169 Q N 2.577 122.607 119.800 0.382 0.000 2.342 169 Q HA 0.531 4.882 4.340 0.018 0.000 0.267 169 Q C -1.804 174.465 176.000 0.448 0.000 1.038 169 Q CA -0.767 55.283 55.803 0.410 0.000 0.832 169 Q CB 2.643 31.561 28.738 0.300 0.000 1.323 169 Q HN 0.686 nan 8.270 nan 0.000 0.448 170 Y N -1.876 118.584 120.300 0.266 0.000 2.605 170 Y HA 0.609 5.169 4.550 0.017 0.000 0.343 170 Y C -0.508 175.512 175.900 0.200 0.000 1.036 170 Y CA -1.614 56.621 58.100 0.224 0.000 1.065 170 Y CB 0.813 39.351 38.460 0.130 0.000 1.288 170 Y HN 0.382 nan 8.280 nan 0.000 0.481 171 R N 1.499 122.104 120.500 0.175 0.000 2.570 171 R HA 0.427 4.778 4.340 0.018 0.000 0.277 171 R C -0.908 175.473 176.300 0.134 0.000 1.039 171 R CA 0.059 56.214 56.100 0.090 0.000 1.065 171 R CB 0.234 30.596 30.300 0.104 0.000 0.964 171 R HN 0.708 nan 8.270 nan 0.000 0.428 172 L N 1.457 122.797 121.223 0.196 0.000 2.271 172 L HA 0.577 4.928 4.340 0.018 0.000 0.265 172 L C 1.150 178.310 176.870 0.483 0.000 1.013 172 L CA -0.774 54.283 54.840 0.362 0.000 0.820 172 L CB 1.267 43.452 42.059 0.210 0.000 1.352 172 L HN 0.864 nan 8.230 nan 0.000 0.443 173 G N 0.256 109.337 108.800 0.467 0.000 2.574 173 G HA2 -0.310 3.661 3.960 0.018 0.000 0.295 173 G HA3 -0.310 3.661 3.960 0.018 0.000 0.295 173 G C 0.859 175.980 174.900 0.370 0.000 1.300 173 G CA 0.469 45.796 45.100 0.379 0.000 0.944 173 G HN 0.704 nan 8.290 nan 0.000 0.551 174 I N -0.977 119.717 120.570 0.207 0.000 2.103 174 I HA -0.315 3.866 4.170 0.018 0.000 0.241 174 I C 2.826 179.083 176.117 0.234 0.000 1.036 174 I CA 2.973 64.370 61.300 0.161 0.000 1.300 174 I CB -0.530 37.329 38.000 -0.235 0.000 1.010 174 I HN 0.613 nan 8.210 nan 0.000 0.406 175 W N 0.835 122.244 121.300 0.181 0.000 2.308 175 W HA -0.167 4.498 4.660 0.009 0.000 0.301 175 W C 2.490 179.064 176.519 0.093 0.000 1.220 175 W CA 1.472 58.798 57.345 -0.032 0.000 1.240 175 W CB -1.214 28.191 29.460 -0.091 0.000 1.142 175 W HN 0.303 nan 8.180 nan 0.000 0.521 176 G N -2.136 106.861 108.800 0.327 0.000 2.656 176 G HA2 0.007 3.978 3.960 0.018 0.000 0.211 176 G HA3 0.007 3.978 3.960 0.018 0.000 0.211 176 G C 0.660 175.197 174.900 -0.605 0.000 1.137 176 G CA 0.135 45.187 45.100 -0.079 0.000 0.802 176 G HN 0.156 nan 8.290 nan 0.000 0.527 177 F N -0.515 119.568 119.950 0.220 0.000 2.811 177 F HA 0.396 4.937 4.527 0.023 0.000 0.342 177 F C -0.123 175.705 175.800 0.047 0.000 1.203 177 F CA -1.479 56.524 58.000 0.005 0.000 1.173 177 F CB 0.424 39.376 39.000 -0.080 0.000 1.094 177 F HN 0.000 nan 8.300 nan 0.000 0.510 178 F N 2.455 122.576 119.950 0.285 0.000 2.502 178 F HA 0.428 4.965 4.527 0.018 0.000 0.371 178 F C 0.359 176.286 175.800 0.211 0.000 1.083 178 F CA -0.105 58.065 58.000 0.282 0.000 1.174 178 F CB 0.411 39.677 39.000 0.444 0.000 1.096 178 F HN -0.026 nan 8.300 nan 0.000 0.545 179 S N 3.587 118.860 115.700 -0.712 0.000 2.513 179 S HA 0.415 4.896 4.470 0.018 0.000 0.299 179 S C 0.512 174.698 174.600 -0.691 0.000 1.087 179 S CA -0.017 57.828 58.200 -0.591 0.000 1.012 179 S CB 1.538 64.536 63.200 -0.337 0.000 1.044 179 S HN 0.790 nan 8.310 nan 0.000 0.485 180 T N 0.276 114.585 114.554 -0.408 0.000 3.040 180 T HA 0.411 4.772 4.350 0.018 0.000 0.250 180 T C 1.397 176.025 174.700 -0.121 0.000 1.058 180 T CA 0.530 62.492 62.100 -0.229 0.000 0.988 180 T CB -0.063 68.789 68.868 -0.027 0.000 0.993 180 T HN 1.839 nan 8.240 nan 0.000 0.519 181 G N 2.066 110.785 108.800 -0.134 0.000 2.141 181 G HA2 -0.118 3.853 3.960 0.018 0.000 0.242 181 G HA3 -0.118 3.853 3.960 0.018 0.000 0.242 181 G C -0.404 174.454 174.900 -0.071 0.000 0.982 181 G CA 0.176 45.218 45.100 -0.097 0.000 0.662 181 G HN 0.905 nan 8.290 nan 0.000 0.527 182 D N -2.064 118.301 120.400 -0.059 0.000 2.838 182 D HA 0.390 5.041 4.640 0.018 0.000 0.334 182 D C 1.199 177.443 176.300 -0.093 0.000 1.315 182 D CA -0.084 53.864 54.000 -0.087 0.000 0.917 182 D CB -0.410 40.322 40.800 -0.113 0.000 1.435 182 D HN 0.117 nan 8.370 nan 0.000 0.517 183 E N -0.134 119.952 120.200 -0.191 0.000 2.333 183 E HA -0.233 4.128 4.350 0.018 0.000 0.198 183 E C 0.562 177.108 176.600 -0.090 0.000 1.007 183 E CA 1.212 57.525 56.400 -0.145 0.000 0.845 183 E CB -0.527 29.068 29.700 -0.175 0.000 0.766 183 E HN 0.500 nan 8.360 nan 0.000 0.507 184 H N 0.397 119.530 119.070 0.106 0.000 2.555 184 H HA 0.201 4.767 4.556 0.016 0.000 0.269 184 H C 0.343 175.790 175.328 0.197 0.000 0.988 184 H CA 0.887 57.009 56.048 0.123 0.000 1.178 184 H CB 0.419 30.235 29.762 0.090 0.000 1.373 184 H HN 0.110 nan 8.280 nan 0.000 0.588 185 S N -0.286 115.607 115.700 0.321 0.000 2.927 185 S HA 0.128 4.609 4.470 0.018 0.000 0.136 185 S C 0.898 175.706 174.600 0.347 0.000 0.831 185 S CA -0.557 57.972 58.200 0.549 0.000 0.882 185 S CB -0.079 63.428 63.200 0.511 0.000 1.612 185 S HN 0.187 nan 8.310 nan 0.000 0.579 186 R N 1.367 122.018 120.500 0.252 0.000 2.136 186 R HA 0.097 4.447 4.340 0.018 0.000 0.242 186 R C 1.435 177.489 176.300 -0.410 0.000 1.131 186 R CA 1.802 57.847 56.100 -0.090 0.000 0.937 186 R CB -0.358 29.901 30.300 -0.068 0.000 0.863 186 R HN 0.904 nan 8.270 nan 0.000 0.435 187 G N -1.633 106.470 108.800 -1.162 0.000 2.373 187 G HA2 -0.162 3.809 3.960 0.018 0.000 0.634 187 G HA3 -0.162 3.809 3.960 0.018 0.000 0.634 187 G C -0.836 173.248 174.900 -1.361 0.000 1.267 187 G CA -0.374 43.873 45.100 -1.422 0.000 1.008 187 G HN 0.289 nan 8.290 nan 0.000 0.497 188 N N -1.132 117.088 118.700 -0.799 0.000 2.741 188 N HA -0.206 4.544 4.740 0.018 0.000 0.250 188 N C 1.252 176.497 175.510 -0.442 0.000 1.115 188 N CA 1.890 54.681 53.050 -0.431 0.000 0.724 188 N CB -1.581 36.856 38.487 -0.084 0.000 1.090 188 N HN 0.742 nan 8.380 nan 0.000 0.558 189 W N 0.606 121.766 121.300 -0.235 0.000 2.331 189 W HA -0.156 4.528 4.660 0.040 0.000 0.291 189 W C 2.447 178.835 176.519 -0.219 0.000 1.214 189 W CA 0.676 57.929 57.345 -0.153 0.000 1.228 189 W CB -0.541 28.858 29.460 -0.101 0.000 1.135 189 W HN 0.316 nan 8.180 nan 0.000 0.537 190 G N -0.517 108.025 108.800 -0.430 0.000 2.402 190 G HA2 -0.239 3.732 3.960 0.018 0.000 0.216 190 G HA3 -0.239 3.732 3.960 0.018 0.000 0.216 190 G C 1.182 176.091 174.900 0.015 0.000 1.162 190 G CA 1.104 46.035 45.100 -0.281 0.000 0.777 190 G HN 0.261 nan 8.290 nan 0.000 0.539 191 H N 0.378 119.436 119.070 -0.019 0.000 2.423 191 H HA 0.106 4.673 4.556 0.018 0.000 0.297 191 H C 2.707 178.047 175.328 0.019 0.000 1.075 191 H CA 0.629 56.686 56.048 0.015 0.000 1.342 191 H CB -0.249 29.533 29.762 0.033 0.000 1.395 191 H HN 0.247 nan 8.280 nan 0.000 0.530 192 L N 0.328 121.660 121.223 0.182 0.000 1.994 192 L HA -0.181 4.170 4.340 0.018 0.000 0.208 192 L C 2.171 179.151 176.870 0.183 0.000 1.071 192 L CA 1.338 56.282 54.840 0.173 0.000 0.745 192 L CB -0.385 41.804 42.059 0.218 0.000 0.892 192 L HN 0.165 nan 8.230 nan 0.000 0.431 193 D N -0.197 120.336 120.400 0.222 0.000 2.158 193 D HA -0.221 4.430 4.640 0.018 0.000 0.197 193 D C 2.248 178.675 176.300 0.210 0.000 0.995 193 D CA 1.262 55.454 54.000 0.321 0.000 0.846 193 D CB -0.123 40.903 40.800 0.376 0.000 0.941 193 D HN 0.472 nan 8.370 nan 0.000 0.456 194 Q N 0.250 120.117 119.800 0.111 0.000 1.993 194 Q HA -0.115 4.236 4.340 0.018 0.000 0.202 194 Q C 2.544 178.508 176.000 -0.060 0.000 0.984 194 Q CA 1.087 56.862 55.803 -0.047 0.000 0.837 194 Q CB -0.104 28.567 28.738 -0.112 0.000 0.902 194 Q HN 0.158 nan 8.270 nan 0.000 0.423 195 V N 1.212 121.131 119.914 0.009 0.000 2.392 195 V HA -0.294 3.837 4.120 0.018 0.000 0.249 195 V C 2.304 178.434 176.094 0.059 0.000 1.059 195 V CA 1.726 64.044 62.300 0.029 0.000 1.051 195 V CB -1.156 30.703 31.823 0.060 0.000 0.658 195 V HN 0.411 nan 8.190 nan 0.000 0.455 196 A N 0.008 122.895 122.820 0.111 0.000 1.986 196 A HA -0.149 4.182 4.320 0.018 0.000 0.220 196 A C 2.385 180.061 177.584 0.153 0.000 1.171 196 A CA 2.226 54.385 52.037 0.203 0.000 0.640 196 A CB -0.605 18.608 19.000 0.354 0.000 0.811 196 A HN 0.601 nan 8.150 nan 0.000 0.451 197 A N -0.453 122.254 122.820 -0.189 0.000 1.898 197 A HA 0.124 4.454 4.320 0.018 0.000 0.214 197 A C 2.116 179.678 177.584 -0.037 0.000 1.183 197 A CA 1.128 52.885 52.037 -0.467 0.000 0.622 197 A CB -0.512 17.959 19.000 -0.883 0.000 0.824 197 A HN 0.440 nan 8.150 nan 0.000 0.444 198 L N -0.852 120.361 121.223 -0.017 0.000 2.012 198 L HA -0.217 4.134 4.340 0.018 0.000 0.210 198 L C 2.802 179.741 176.870 0.114 0.000 1.073 198 L CA 1.615 56.492 54.840 0.061 0.000 0.748 198 L CB -0.463 41.630 42.059 0.057 0.000 0.891 198 L HN 0.345 nan 8.230 nan 0.000 0.431 199 R N -1.300 119.274 120.500 0.123 0.000 2.193 199 R HA -0.218 4.133 4.340 0.018 0.000 0.229 199 R C 2.055 178.452 176.300 0.161 0.000 1.110 199 R CA 1.582 57.757 56.100 0.124 0.000 0.988 199 R CB -0.277 30.101 30.300 0.129 0.000 0.871 199 R HN 0.450 nan 8.270 nan 0.000 0.458 200 W N 0.073 121.414 121.300 0.067 0.000 2.453 200 W HA -0.119 4.550 4.660 0.016 0.000 0.289 200 W C 1.608 178.176 176.519 0.082 0.000 1.215 200 W CA 0.765 58.175 57.345 0.110 0.000 1.297 200 W CB 0.054 29.599 29.460 0.143 0.000 1.113 200 W HN -0.247 nan 8.180 nan 0.000 0.551 201 V N 0.680 120.794 119.914 0.335 0.000 2.358 201 V HA -0.342 3.789 4.120 0.018 0.000 0.246 201 V C 2.271 178.383 176.094 0.030 0.000 1.047 201 V CA 2.335 64.762 62.300 0.212 0.000 1.035 201 V CB -1.237 30.717 31.823 0.218 0.000 0.658 201 V HN 0.328 nan 8.190 nan 0.000 0.452 202 Q N -0.236 119.584 119.800 0.033 0.000 2.224 202 Q HA -0.209 4.142 4.340 0.018 0.000 0.203 202 Q C 1.160 177.121 176.000 -0.066 0.000 0.970 202 Q CA 1.587 57.394 55.803 0.007 0.000 0.865 202 Q CB 0.052 28.802 28.738 0.021 0.000 0.922 202 Q HN 0.622 nan 8.270 nan 0.000 0.445 203 D N -0.690 119.623 120.400 -0.146 0.000 2.395 203 D HA 0.095 4.746 4.640 0.018 0.000 0.213 203 D C 0.342 176.437 176.300 -0.341 0.000 1.110 203 D CA 0.072 53.949 54.000 -0.206 0.000 0.835 203 D CB 0.511 41.197 40.800 -0.190 0.000 0.965 203 D HN 0.261 nan 8.370 nan 0.000 0.505 204 N N -0.166 118.272 118.700 -0.436 0.000 2.268 204 N HA -0.018 4.732 4.740 0.018 0.000 0.256 204 N C 1.507 176.902 175.510 -0.192 0.000 1.090 204 N CA -0.252 52.485 53.050 -0.521 0.000 0.806 204 N CB 0.699 38.357 38.487 -1.382 0.000 1.644 204 N HN -0.064 nan 8.380 nan 0.000 0.544 205 I N 3.054 123.557 120.570 -0.113 0.000 2.381 205 I HA -0.203 3.978 4.170 0.018 0.000 0.255 205 I C 2.047 178.258 176.117 0.157 0.000 1.140 205 I CA 0.869 62.245 61.300 0.127 0.000 1.404 205 I CB -0.457 37.613 38.000 0.116 0.000 1.075 205 I HN 0.179 nan 8.210 nan 0.000 0.433 206 A N -1.333 121.515 122.820 0.046 0.000 2.024 206 A HA -0.197 4.134 4.320 0.018 0.000 0.220 206 A C 2.448 180.044 177.584 0.020 0.000 1.164 206 A CA 2.022 54.074 52.037 0.025 0.000 0.643 206 A CB -0.811 18.175 19.000 -0.024 0.000 0.806 206 A HN 0.456 nan 8.150 nan 0.000 0.451 207 S N -1.538 114.165 115.700 0.004 0.000 2.527 207 S HA 0.132 4.613 4.470 0.018 0.000 0.222 207 S C 0.342 174.786 174.600 -0.260 0.000 0.985 207 S CA 0.320 58.420 58.200 -0.166 0.000 0.921 207 S CB -0.269 62.735 63.200 -0.327 0.000 0.772 207 S HN 0.560 nan 8.310 nan 0.000 0.529 208 F N 0.945 120.866 119.950 -0.048 0.000 2.750 208 F HA 0.386 4.924 4.527 0.017 0.000 0.297 208 F C 1.434 177.255 175.800 0.035 0.000 1.138 208 F CA -0.407 57.575 58.000 -0.030 0.000 1.346 208 F CB 0.031 38.994 39.000 -0.061 0.000 0.965 208 F HN 0.149 nan 8.300 nan 0.000 0.514 209 G N 0.623 109.515 108.800 0.153 0.000 2.176 209 G HA2 -0.148 3.823 3.960 0.018 0.000 0.252 209 G HA3 -0.148 3.823 3.960 0.018 0.000 0.252 209 G C 0.450 175.418 174.900 0.114 0.000 1.024 209 G CA -0.050 45.119 45.100 0.115 0.000 0.755 209 G HN 0.806 nan 8.290 nan 0.000 0.507 210 G N -0.651 108.224 108.800 0.125 0.000 2.416 210 G HA2 0.529 4.500 3.960 0.018 0.000 0.329 210 G HA3 0.529 4.500 3.960 0.018 0.000 0.329 210 G C -0.333 174.605 174.900 0.064 0.000 1.173 210 G CA -0.290 44.872 45.100 0.103 0.000 0.929 210 G HN 0.577 nan 8.290 nan 0.000 0.475 211 N N 2.395 121.119 118.700 0.040 0.000 2.469 211 N HA 0.250 5.001 4.740 0.018 0.000 0.239 211 N C -1.192 174.324 175.510 0.010 0.000 1.053 211 N CA -2.409 50.645 53.050 0.008 0.000 0.937 211 N CB 1.517 39.991 38.487 -0.023 0.000 1.163 211 N HN 0.150 nan 8.380 nan 0.000 0.509 212 P HA -0.000 nan 4.420 nan 0.000 0.249 212 P C 0.531 177.873 177.300 0.070 0.000 1.227 212 P CA 0.554 63.687 63.100 0.055 0.000 0.753 212 P CB -0.150 31.566 31.700 0.028 0.000 0.966 213 G N -1.289 107.472 108.800 -0.065 0.000 3.324 213 G HA2 0.075 4.046 3.960 0.018 0.000 0.251 213 G HA3 0.075 4.046 3.960 0.018 0.000 0.251 213 G C 0.494 174.899 174.900 -0.825 0.000 1.072 213 G CA 0.058 44.980 45.100 -0.296 0.000 0.787 213 G HN 0.322 nan 8.290 nan 0.000 0.537 214 S N 0.488 115.932 115.700 -0.427 0.000 2.569 214 S HA 0.342 4.823 4.470 0.018 0.000 0.215 214 S C -0.394 174.250 174.600 0.074 0.000 1.096 214 S CA -0.307 57.715 58.200 -0.297 0.000 1.183 214 S CB 0.047 63.143 63.200 -0.173 0.000 1.324 214 S HN -0.042 nan 8.310 nan 0.000 0.421 215 V N 2.891 123.050 119.914 0.409 0.000 2.455 215 V HA 0.401 4.532 4.120 0.018 0.000 0.273 215 V C 0.406 176.698 176.094 0.331 0.000 1.045 215 V CA -0.020 62.479 62.300 0.332 0.000 0.976 215 V CB 1.027 33.026 31.823 0.292 0.000 0.993 215 V HN 0.561 nan 8.190 nan 0.000 0.475 216 T N 6.767 121.456 114.554 0.226 0.000 2.779 216 T HA 0.616 4.977 4.350 0.018 0.000 0.280 216 T C -0.122 174.717 174.700 0.232 0.000 0.987 216 T CA -0.225 61.998 62.100 0.206 0.000 0.966 216 T CB 1.081 70.015 68.868 0.110 0.000 0.933 216 T HN 0.644 nan 8.240 nan 0.000 0.442 217 I N 1.289 121.960 120.570 0.168 0.000 2.412 217 I HA 0.887 5.068 4.170 0.018 0.000 0.296 217 I C -1.197 175.074 176.117 0.257 0.000 0.987 217 I CA -1.168 60.205 61.300 0.122 0.000 1.180 217 I CB 1.328 39.186 38.000 -0.236 0.000 1.340 217 I HN 0.541 nan 8.210 nan 0.000 0.455 218 F N 3.237 123.156 119.950 -0.050 0.000 2.588 218 F HA 0.933 5.471 4.527 0.019 0.000 0.318 218 F C -0.447 175.197 175.800 -0.260 0.000 1.155 218 F CA -1.105 56.885 58.000 -0.017 0.000 0.967 218 F CB 0.957 40.078 39.000 0.201 0.000 1.236 218 F HN 0.749 nan 8.300 nan 0.000 0.455 219 G N 1.433 110.004 108.800 -0.381 0.000 2.816 219 G HA2 0.625 4.596 3.960 0.018 0.000 0.288 219 G HA3 0.625 4.596 3.960 0.018 0.000 0.288 219 G C -2.024 172.597 174.900 -0.464 0.000 1.334 219 G CA -0.760 43.815 45.100 -0.875 0.000 0.978 219 G HN 0.787 nan 8.290 nan 0.000 0.493 220 E N -0.439 119.477 120.200 -0.474 0.000 2.367 220 E HA 0.556 4.917 4.350 0.018 0.000 0.273 220 E C 0.502 177.052 176.600 -0.083 0.000 0.903 220 E CA -0.157 56.179 56.400 -0.107 0.000 0.764 220 E CB 2.277 32.023 29.700 0.077 0.000 1.252 220 E HN 0.567 nan 8.360 nan 0.000 0.446 221 S N 1.423 117.145 115.700 0.037 0.000 3.917 221 S HA -0.396 4.085 4.470 0.018 0.000 0.601 221 S C 1.499 176.170 174.600 0.118 0.000 2.206 221 S CA 2.198 60.525 58.200 0.212 0.000 4.167 221 S CB -1.387 62.007 63.200 0.322 0.000 0.372 221 S HN 0.934 nan 8.310 nan 0.000 0.766 222 A N 0.524 123.414 122.820 0.116 0.000 1.997 222 A HA -0.038 4.293 4.320 0.018 0.000 0.221 222 A C 2.363 179.902 177.584 -0.075 0.000 1.172 222 A CA 2.715 54.769 52.037 0.029 0.000 0.645 222 A CB -1.537 17.500 19.000 0.062 0.000 0.813 222 A HN 1.493 nan 8.150 nan 0.000 0.454 223 G N -1.138 107.573 108.800 -0.147 0.000 2.421 223 G HA2 0.138 4.109 3.960 0.018 0.000 0.217 223 G HA3 0.138 4.109 3.960 0.018 0.000 0.217 223 G C 1.424 176.140 174.900 -0.307 0.000 1.143 223 G CA 1.087 45.977 45.100 -0.349 0.000 0.784 223 G HN 0.700 nan 8.290 nan 0.000 0.541 224 G N 0.283 108.979 108.800 -0.173 0.000 2.422 224 G HA2 -0.119 3.852 3.960 0.018 0.000 0.218 224 G HA3 -0.119 3.852 3.960 0.018 0.000 0.218 224 G C 1.508 176.378 174.900 -0.050 0.000 1.140 224 G CA 1.071 46.122 45.100 -0.082 0.000 0.775 224 G HN 0.441 nan 8.290 nan 0.000 0.545 225 E N 1.591 121.763 120.200 -0.047 0.000 2.016 225 E HA -0.155 4.206 4.350 0.018 0.000 0.190 225 E C 2.855 179.405 176.600 -0.084 0.000 0.985 225 E CA 1.592 57.966 56.400 -0.043 0.000 0.802 225 E CB -0.374 29.302 29.700 -0.039 0.000 0.762 225 E HN 0.448 nan 8.360 nan 0.000 0.448 226 S N 0.444 116.087 115.700 -0.096 0.000 2.387 226 S HA -0.153 4.328 4.470 0.018 0.000 0.230 226 S C 2.233 176.684 174.600 -0.248 0.000 1.035 226 S CA 1.560 59.691 58.200 -0.114 0.000 1.014 226 S CB -0.910 62.253 63.200 -0.062 0.000 0.836 226 S HN 0.154 nan 8.310 nan 0.000 0.466 227 V N 1.569 121.336 119.914 -0.245 0.000 2.469 227 V HA -0.139 3.991 4.120 0.018 0.000 0.251 227 V C 2.934 178.879 176.094 -0.247 0.000 1.064 227 V CA 1.973 64.104 62.300 -0.282 0.000 1.066 227 V CB -1.059 30.637 31.823 -0.211 0.000 0.667 227 V HN 0.680 nan 8.190 nan 0.000 0.461 228 S N -0.414 115.209 115.700 -0.128 0.000 2.395 228 S HA -0.114 4.367 4.470 0.018 0.000 0.225 228 S C 1.960 176.479 174.600 -0.135 0.000 1.027 228 S CA 1.416 59.576 58.200 -0.067 0.000 0.965 228 S CB -0.070 63.169 63.200 0.064 0.000 0.812 228 S HN 0.391 nan 8.310 nan 0.000 0.482 229 V N 2.467 122.263 119.914 -0.196 0.000 2.392 229 V HA -0.156 3.975 4.120 0.018 0.000 0.249 229 V C 2.321 178.259 176.094 -0.260 0.000 1.059 229 V CA 1.583 63.722 62.300 -0.267 0.000 1.051 229 V CB -0.870 30.662 31.823 -0.485 0.000 0.658 229 V HN 0.466 nan 8.190 nan 0.000 0.455 230 L N -0.092 120.966 121.223 -0.276 0.000 2.141 230 L HA -0.102 4.249 4.340 0.018 0.000 0.209 230 L C 2.434 179.317 176.870 0.022 0.000 1.094 230 L CA 0.933 55.661 54.840 -0.186 0.000 0.763 230 L CB -0.572 41.276 42.059 -0.352 0.000 0.908 230 L HN 0.249 nan 8.230 nan 0.000 0.437 231 V N -0.027 119.876 119.914 -0.018 0.000 2.594 231 V HA -0.231 3.899 4.120 0.018 0.000 0.253 231 V C 2.071 178.237 176.094 0.120 0.000 1.069 231 V CA 1.312 63.711 62.300 0.165 0.000 1.082 231 V CB -0.402 31.379 31.823 -0.069 0.000 0.680 231 V HN 0.412 nan 8.190 nan 0.000 0.469 232 L N -0.744 120.463 121.223 -0.027 0.000 2.585 232 L HA 0.208 4.559 4.340 0.018 0.000 0.226 232 L C 1.201 177.918 176.870 -0.255 0.000 1.113 232 L CA 0.179 54.934 54.840 -0.141 0.000 0.876 232 L CB 0.144 42.131 42.059 -0.120 0.000 1.072 232 L HN 0.249 nan 8.230 nan 0.000 0.468 233 S N 0.183 115.797 115.700 -0.142 0.000 2.537 233 S HA 0.275 4.756 4.470 0.018 0.000 0.275 233 S C -1.670 172.897 174.600 -0.055 0.000 1.272 233 S CA -1.331 56.792 58.200 -0.128 0.000 1.050 233 S CB 1.389 64.543 63.200 -0.077 0.000 0.961 233 S HN -0.125 nan 8.310 nan 0.000 0.496 234 P HA 0.016 nan 4.420 nan 0.000 0.217 234 P C 1.217 178.587 177.300 0.116 0.000 1.151 234 P CA 0.835 63.981 63.100 0.077 0.000 0.828 234 P CB 0.048 31.755 31.700 0.011 0.000 0.788 235 L N -1.296 119.964 121.223 0.062 0.000 2.191 235 L HA -0.100 4.251 4.340 0.018 0.000 0.212 235 L C 2.177 179.098 176.870 0.085 0.000 1.103 235 L CA 1.394 56.273 54.840 0.065 0.000 0.769 235 L CB -0.956 41.134 42.059 0.050 0.000 0.908 235 L HN -0.024 nan 8.230 nan 0.000 0.438 236 A N -0.522 122.371 122.820 0.123 0.000 2.195 236 A HA -0.015 4.316 4.320 0.018 0.000 0.210 236 A C 1.175 178.852 177.584 0.155 0.000 1.165 236 A CA -0.159 51.994 52.037 0.194 0.000 0.806 236 A CB -0.089 19.084 19.000 0.289 0.000 0.847 236 A HN 0.192 nan 8.150 nan 0.000 0.482 237 K N 1.060 121.520 120.400 0.100 0.000 2.484 237 K HA -0.037 4.294 4.320 0.018 0.000 0.280 237 K C -0.163 176.308 176.600 -0.215 0.000 1.013 237 K CA 0.470 56.698 56.287 -0.098 0.000 1.029 237 K CB -0.023 32.478 32.500 0.002 0.000 0.902 237 K HN 0.362 nan 8.250 nan 0.000 0.481 238 N N 2.135 120.582 118.700 -0.422 0.000 2.967 238 N HA -0.187 4.564 4.740 0.018 0.000 0.241 238 N C 0.025 175.357 175.510 -0.297 0.000 0.983 238 N CA 1.015 53.840 53.050 -0.375 0.000 0.918 238 N CB -0.976 37.368 38.487 -0.238 0.000 1.109 238 N HN 0.604 nan 8.380 nan 0.000 0.567 239 L N -0.702 120.371 121.223 -0.250 0.000 2.664 239 L HA 0.299 4.650 4.340 0.018 0.000 0.233 239 L C 0.024 176.887 176.870 -0.012 0.000 1.113 239 L CA 0.090 54.895 54.840 -0.060 0.000 0.896 239 L CB 0.141 42.260 42.059 0.100 0.000 1.163 239 L HN 0.177 nan 8.230 nan 0.000 0.497 240 F N -3.701 116.006 119.950 -0.406 0.000 2.665 240 F HA 0.407 4.944 4.527 0.017 0.000 0.308 240 F C 0.144 175.627 175.800 -0.528 0.000 1.112 240 F CA -0.981 56.789 58.000 -0.383 0.000 0.972 240 F CB 0.687 39.608 39.000 -0.132 0.000 1.295 240 F HN -0.044 nan 8.300 nan 0.000 0.440 241 H N 0.815 119.903 119.070 0.030 0.000 2.784 241 H HA 0.489 5.056 4.556 0.018 0.000 0.273 241 H C -0.442 174.888 175.328 0.005 0.000 1.112 241 H CA -0.359 55.649 56.048 -0.067 0.000 1.162 241 H CB 0.771 30.489 29.762 -0.074 0.000 1.586 241 H HN 0.538 nan 8.280 nan 0.000 0.548 242 R N 0.659 121.313 120.500 0.257 0.000 2.579 242 R HA 0.592 4.942 4.340 0.018 0.000 0.260 242 R C -1.566 174.934 176.300 0.333 0.000 1.103 242 R CA -0.456 55.756 56.100 0.187 0.000 0.942 242 R CB 2.352 32.613 30.300 -0.064 0.000 1.251 242 R HN 0.189 nan 8.270 nan 0.000 0.450 243 A N 3.284 126.318 122.820 0.356 0.000 2.423 243 A HA 0.888 5.219 4.320 0.018 0.000 0.304 243 A C -1.024 176.748 177.584 0.312 0.000 1.104 243 A CA -0.687 51.469 52.037 0.200 0.000 0.757 243 A CB 1.313 20.237 19.000 -0.127 0.000 1.313 243 A HN 0.594 nan 8.150 nan 0.000 0.423 244 I N 1.082 121.781 120.570 0.216 0.000 2.548 244 I HA 0.266 4.447 4.170 0.018 0.000 0.287 244 I C -0.600 175.638 176.117 0.202 0.000 1.103 244 I CA -0.198 61.183 61.300 0.136 0.000 1.049 244 I CB 2.427 40.414 38.000 -0.021 0.000 1.232 244 I HN 0.490 nan 8.210 nan 0.000 0.429 245 S N 5.195 121.002 115.700 0.178 0.000 2.520 245 S HA 0.344 4.825 4.470 0.018 0.000 0.324 245 S C -0.489 174.176 174.600 0.108 0.000 1.069 245 S CA -0.672 57.603 58.200 0.125 0.000 1.121 245 S CB 0.850 64.123 63.200 0.122 0.000 0.971 245 S HN 0.473 nan 8.310 nan 0.000 0.463 246 E N 1.757 122.066 120.200 0.182 0.000 2.046 246 E HA 0.350 4.711 4.350 0.018 0.000 0.279 246 E C -0.253 176.421 176.600 0.124 0.000 0.989 246 E CA -0.542 56.010 56.400 0.253 0.000 0.798 246 E CB 0.815 30.765 29.700 0.416 0.000 1.086 246 E HN 0.617 nan 8.360 nan 0.000 0.399 247 S N 1.742 117.484 115.700 0.070 0.000 3.749 247 S HA -0.139 4.341 4.470 0.018 0.000 0.348 247 S C 0.050 174.835 174.600 0.309 0.000 1.045 247 S CA 0.507 58.744 58.200 0.062 0.000 1.051 247 S CB -1.181 61.938 63.200 -0.136 0.000 0.898 247 S HN 0.909 nan 8.310 nan 0.000 0.472 248 G N -0.818 108.130 108.800 0.248 0.000 2.387 248 G HA2 0.555 4.526 3.960 0.018 0.000 0.309 248 G HA3 0.555 4.526 3.960 0.018 0.000 0.309 248 G C -0.845 174.103 174.900 0.080 0.000 1.641 248 G CA 0.139 45.370 45.100 0.219 0.000 0.904 248 G HN 1.395 nan 8.290 nan 0.000 0.661 249 V N -0.908 119.025 119.914 0.032 0.000 3.165 249 V HA 0.938 5.069 4.120 0.018 0.000 0.309 249 V C 1.267 177.347 176.094 -0.023 0.000 1.267 249 V CA 0.064 62.369 62.300 0.008 0.000 1.067 249 V CB 1.118 32.933 31.823 -0.013 0.000 1.082 249 V HN 1.936 nan 8.190 nan 0.000 0.451 250 A N -0.472 122.339 122.820 -0.015 0.000 1.968 250 A HA 0.163 4.493 4.320 0.018 0.000 0.217 250 A C 1.721 179.270 177.584 -0.058 0.000 1.169 250 A CA 1.642 53.654 52.037 -0.040 0.000 0.638 250 A CB -0.745 18.236 19.000 -0.031 0.000 0.812 250 A HN 0.857 nan 8.150 nan 0.000 0.446 251 L N 0.109 121.300 121.223 -0.054 0.000 2.610 251 L HA -0.018 4.333 4.340 0.018 0.000 0.232 251 L C 0.532 177.337 176.870 -0.109 0.000 1.149 251 L CA 0.301 55.100 54.840 -0.069 0.000 0.872 251 L CB -0.543 41.489 42.059 -0.045 0.000 0.992 251 L HN 0.133 nan 8.230 nan 0.000 0.447 252 T N 0.287 114.765 114.554 -0.127 0.000 4.280 252 T HA 0.005 4.366 4.350 0.018 0.000 0.245 252 T C 1.505 176.096 174.700 -0.182 0.000 1.100 252 T CA 0.032 62.017 62.100 -0.192 0.000 1.137 252 T CB 0.030 68.775 68.868 -0.203 0.000 1.296 252 T HN 0.256 nan 8.240 nan 0.000 0.998 253 S N 1.928 117.521 115.700 -0.179 0.000 2.451 253 S HA -0.239 4.242 4.470 0.018 0.000 0.272 253 S C 2.331 176.825 174.600 -0.177 0.000 1.136 253 S CA 1.753 59.847 58.200 -0.176 0.000 1.209 253 S CB -0.857 62.219 63.200 -0.206 0.000 1.130 253 S HN 0.638 nan 8.310 nan 0.000 0.440 254 V N 1.833 121.628 119.914 -0.198 0.000 2.280 254 V HA -0.231 3.900 4.120 0.018 0.000 0.258 254 V C 1.505 177.503 176.094 -0.160 0.000 1.081 254 V CA 2.210 64.404 62.300 -0.178 0.000 1.070 254 V CB -0.425 31.293 31.823 -0.176 0.000 0.666 254 V HN 0.597 nan 8.190 nan 0.000 0.450 255 L N 0.023 121.152 121.223 -0.157 0.000 2.645 255 L HA 0.234 4.585 4.340 0.018 0.000 0.234 255 L C -0.314 176.461 176.870 -0.159 0.000 1.165 255 L CA -0.149 54.590 54.840 -0.168 0.000 0.944 255 L CB 0.286 42.256 42.059 -0.148 0.000 1.149 255 L HN 0.203 nan 8.230 nan 0.000 0.446 256 V N 0.058 119.888 119.914 -0.140 0.000 2.532 256 V HA 0.243 4.374 4.120 0.018 0.000 0.294 256 V C -0.100 175.925 176.094 -0.114 0.000 1.036 256 V CA -1.009 61.223 62.300 -0.113 0.000 0.876 256 V CB 2.014 33.779 31.823 -0.096 0.000 1.012 256 V HN 0.048 nan 8.190 nan 0.000 0.432 257 K N 4.169 124.504 120.400 -0.107 0.000 2.322 257 K HA 0.522 4.852 4.320 0.018 0.000 0.283 257 K C -0.308 176.240 176.600 -0.086 0.000 1.042 257 K CA -0.177 56.051 56.287 -0.098 0.000 0.958 257 K CB 1.473 33.914 32.500 -0.098 0.000 0.984 257 K HN 0.593 nan 8.250 nan 0.000 0.473 258 K N 0.158 120.510 120.400 -0.081 0.000 2.352 258 K HA 0.581 4.912 4.320 0.018 0.000 0.240 258 K C -0.079 176.485 176.600 -0.059 0.000 1.017 258 K CA -0.771 55.473 56.287 -0.072 0.000 0.851 258 K CB 1.707 34.161 32.500 -0.078 0.000 1.261 258 K HN 0.762 nan 8.250 nan 0.000 0.451 259 G N 1.131 109.899 108.800 -0.053 0.000 2.855 259 G HA2 -0.232 3.739 3.960 0.018 0.000 0.352 259 G HA3 -0.232 3.739 3.960 0.018 0.000 0.352 259 G C -0.785 174.089 174.900 -0.044 0.000 1.415 259 G CA -0.424 44.651 45.100 -0.042 0.000 0.871 259 G HN 0.757 nan 8.290 nan 0.000 0.543 260 D N -0.117 120.262 120.400 -0.036 0.000 2.520 260 D HA 0.174 4.825 4.640 0.018 0.000 0.243 260 D C 1.762 178.036 176.300 -0.043 0.000 1.160 260 D CA 0.728 54.706 54.000 -0.037 0.000 0.877 260 D CB 0.856 41.641 40.800 -0.026 0.000 1.150 260 D HN 1.151 nan 8.370 nan 0.000 0.494 261 V N 2.006 121.884 119.914 -0.060 0.000 3.542 261 V HA 0.110 4.241 4.120 0.018 0.000 0.296 261 V C 2.000 178.048 176.094 -0.077 0.000 1.364 261 V CA -0.176 62.081 62.300 -0.073 0.000 1.118 261 V CB 0.063 31.826 31.823 -0.101 0.000 0.972 261 V HN 0.269 nan 8.190 nan 0.000 0.430 262 K N 2.272 122.637 120.400 -0.059 0.000 2.009 262 K HA -0.028 4.303 4.320 0.018 0.000 0.210 262 K C -0.244 176.342 176.600 -0.024 0.000 1.049 262 K CA 2.192 58.451 56.287 -0.047 0.000 0.929 262 K CB -1.554 30.932 32.500 -0.023 0.000 0.714 262 K HN 0.395 nan 8.250 nan 0.000 0.440 263 P HA -0.215 nan 4.420 nan 0.000 0.216 263 P C 1.378 178.689 177.300 0.019 0.000 1.157 263 P CA 1.222 64.326 63.100 0.006 0.000 0.880 263 P CB -0.018 31.684 31.700 0.004 0.000 0.791 264 L N -1.044 120.185 121.223 0.009 0.000 1.989 264 L HA -0.268 4.083 4.340 0.018 0.000 0.211 264 L C 2.253 179.163 176.870 0.067 0.000 1.071 264 L CA 2.104 56.965 54.840 0.036 0.000 0.749 264 L CB -1.048 41.014 42.059 0.005 0.000 0.890 264 L HN -0.029 nan 8.230 nan 0.000 0.431 265 A N -0.147 122.679 122.820 0.011 0.000 1.884 265 A HA -0.314 4.017 4.320 0.018 0.000 0.219 265 A C 1.978 179.661 177.584 0.165 0.000 1.197 265 A CA 2.259 54.340 52.037 0.074 0.000 0.637 265 A CB -0.792 18.146 19.000 -0.104 0.000 0.827 265 A HN 0.623 nan 8.150 nan 0.000 0.450 266 E N -1.121 119.132 120.200 0.088 0.000 2.118 266 E HA -0.274 4.087 4.350 0.018 0.000 0.195 266 E C 2.218 178.862 176.600 0.073 0.000 0.992 266 E CA 1.422 57.868 56.400 0.077 0.000 0.804 266 E CB -0.161 29.567 29.700 0.046 0.000 0.741 266 E HN 0.833 nan 8.360 nan 0.000 0.458 267 Q N 0.423 120.268 119.800 0.076 0.000 2.311 267 Q HA -0.073 4.278 4.340 0.018 0.000 0.203 267 Q C 1.991 178.040 176.000 0.083 0.000 0.954 267 Q CA 0.561 56.404 55.803 0.067 0.000 0.885 267 Q CB 0.195 28.971 28.738 0.062 0.000 0.963 267 Q HN 0.301 nan 8.270 nan 0.000 0.471 268 I N 0.057 120.709 120.570 0.136 0.000 2.333 268 I HA -0.155 4.025 4.170 0.018 0.000 0.246 268 I C 2.337 178.499 176.117 0.075 0.000 1.106 268 I CA 0.742 62.133 61.300 0.152 0.000 1.411 268 I CB -0.364 37.812 38.000 0.294 0.000 1.082 268 I HN 0.218 nan 8.210 nan 0.000 0.420 269 A N 1.604 124.476 122.820 0.087 0.000 1.835 269 A HA -0.184 4.147 4.320 0.018 0.000 0.215 269 A C 2.312 179.898 177.584 0.004 0.000 1.199 269 A CA 1.520 53.567 52.037 0.016 0.000 0.615 269 A CB -0.978 18.047 19.000 0.042 0.000 0.838 269 A HN 0.311 nan 8.150 nan 0.000 0.444 270 I N -0.241 120.342 120.570 0.021 0.000 2.143 270 I HA -0.344 3.837 4.170 0.018 0.000 0.245 270 I C 2.639 178.755 176.117 -0.003 0.000 1.068 270 I CA 2.070 63.375 61.300 0.009 0.000 1.326 270 I CB -0.758 37.250 38.000 0.015 0.000 1.028 270 I HN 0.317 nan 8.210 nan 0.000 0.412 271 T N 0.512 115.065 114.554 -0.002 0.000 2.746 271 T HA -0.138 4.223 4.350 0.018 0.000 0.267 271 T C 1.873 176.556 174.700 -0.027 0.000 1.039 271 T CA 1.459 63.549 62.100 -0.018 0.000 1.142 271 T CB -0.306 68.547 68.868 -0.024 0.000 0.866 271 T HN 0.519 nan 8.240 nan 0.000 0.444 272 A N 0.333 123.133 122.820 -0.033 0.000 2.216 272 A HA 0.417 4.748 4.320 0.018 0.000 0.214 272 A C 1.841 179.402 177.584 -0.038 0.000 1.160 272 A CA 1.095 53.104 52.037 -0.046 0.000 0.725 272 A CB -0.846 18.109 19.000 -0.075 0.000 0.784 272 A HN 0.863 nan 8.150 nan 0.000 0.472 273 G N -2.358 106.425 108.800 -0.028 0.000 2.142 273 G HA2 -0.204 3.767 3.960 0.018 0.000 0.225 273 G HA3 -0.204 3.767 3.960 0.018 0.000 0.225 273 G C 0.049 174.935 174.900 -0.024 0.000 1.015 273 G CA -0.036 45.051 45.100 -0.022 0.000 0.716 273 G HN 0.574 nan 8.290 nan 0.000 0.508 274 c N -0.122 118.461 118.600 -0.028 0.000 2.349 274 c HA 0.726 5.307 4.570 0.018 0.000 0.361 274 c C 1.171 175.255 174.090 -0.011 0.000 1.189 274 c CA -0.663 55.649 56.329 -0.029 0.000 2.155 274 c CB 1.311 43.789 42.510 -0.054 0.000 2.336 274 c HN 0.588 nan 8.230 nan 0.000 0.540 275 K N 0.327 120.724 120.400 -0.005 0.000 2.149 275 K HA 0.340 4.671 4.320 0.018 0.000 0.245 275 K C 0.712 177.318 176.600 0.011 0.000 1.024 275 K CA 0.307 56.597 56.287 0.005 0.000 0.899 275 K CB 0.447 32.953 32.500 0.010 0.000 1.038 275 K HN 0.867 nan 8.250 nan 0.000 0.496 276 T N -3.534 111.028 114.554 0.014 0.000 3.475 276 T HA 0.069 4.430 4.350 0.018 0.000 0.310 276 T C 0.931 175.642 174.700 0.019 0.000 0.963 276 T CA -0.412 61.701 62.100 0.022 0.000 0.985 276 T CB 0.057 68.940 68.868 0.026 0.000 1.198 276 T HN 0.456 nan 8.240 nan 0.000 0.508 277 T N 3.000 117.560 114.554 0.011 0.000 2.624 277 T HA -0.075 4.286 4.350 0.018 0.000 0.268 277 T C 1.249 175.953 174.700 0.007 0.000 1.041 277 T CA 2.231 64.334 62.100 0.006 0.000 1.159 277 T CB -0.498 68.369 68.868 -0.002 0.000 0.863 277 T HN 0.884 nan 8.240 nan 0.000 0.434 278 T N -2.606 111.950 114.554 0.004 0.000 2.778 278 T HA 0.549 4.909 4.350 0.018 0.000 0.293 278 T C 1.040 175.752 174.700 0.021 0.000 1.144 278 T CA -0.197 61.908 62.100 0.009 0.000 1.010 278 T CB 1.661 70.517 68.868 -0.019 0.000 1.325 278 T HN -0.153 nan 8.240 nan 0.000 0.515 279 S N -0.306 115.428 115.700 0.056 0.000 2.356 279 S HA -0.002 4.479 4.470 0.018 0.000 0.223 279 S C 2.359 176.984 174.600 0.043 0.000 1.032 279 S CA 1.615 59.883 58.200 0.115 0.000 1.005 279 S CB -1.119 62.245 63.200 0.273 0.000 0.867 279 S HN 0.890 nan 8.310 nan 0.000 0.449 280 A N 1.018 123.720 122.820 -0.197 0.000 1.865 280 A HA -0.090 4.240 4.320 0.018 0.000 0.217 280 A C 2.275 179.806 177.584 -0.088 0.000 1.191 280 A CA 1.984 53.820 52.037 -0.334 0.000 0.623 280 A CB -1.184 17.452 19.000 -0.607 0.000 0.826 280 A HN 0.404 nan 8.150 nan 0.000 0.444 281 V N -0.345 119.529 119.914 -0.067 0.000 2.324 281 V HA -0.374 3.757 4.120 0.018 0.000 0.250 281 V C 2.555 178.675 176.094 0.044 0.000 1.060 281 V CA 2.435 64.737 62.300 0.003 0.000 1.042 281 V CB -0.841 30.979 31.823 -0.006 0.000 0.650 281 V HN 0.632 nan 8.190 nan 0.000 0.450 282 M N -0.121 119.496 119.600 0.029 0.000 2.084 282 M HA -0.192 4.299 4.480 0.018 0.000 0.259 282 M C 2.184 178.468 176.300 -0.027 0.000 1.072 282 M CA 2.248 57.567 55.300 0.032 0.000 1.107 282 M CB -0.238 32.421 32.600 0.097 0.000 1.299 282 M HN 0.263 nan 8.290 nan 0.000 0.413 283 V N -0.612 119.312 119.914 0.017 0.000 2.332 283 V HA -0.324 3.807 4.120 0.018 0.000 0.248 283 V C 2.267 178.289 176.094 -0.120 0.000 1.055 283 V CA 2.479 64.720 62.300 -0.098 0.000 1.038 283 V CB -1.442 30.421 31.823 0.067 0.000 0.651 283 V HN 0.607 nan 8.190 nan 0.000 0.450 284 H N -0.569 118.451 119.070 -0.082 0.000 2.352 284 H HA -0.222 4.333 4.556 -0.001 0.000 0.299 284 H C 2.319 177.613 175.328 -0.055 0.000 1.097 284 H CA 2.254 58.271 56.048 -0.052 0.000 1.311 284 H CB -0.557 29.178 29.762 -0.046 0.000 1.377 284 H HN 0.459 nan 8.280 nan 0.000 0.504 285 c N -0.196 118.322 118.600 -0.136 0.000 2.440 285 c HA -0.006 4.575 4.570 0.018 0.000 0.278 285 c C 2.724 176.706 174.090 -0.181 0.000 1.295 285 c CA 0.637 56.872 56.329 -0.157 0.000 1.738 285 c CB -1.430 41.044 42.510 -0.060 0.000 1.987 285 c HN 0.657 nan 8.230 nan 0.000 0.492 286 L N 0.300 121.380 121.223 -0.239 0.000 2.056 286 L HA -0.075 4.276 4.340 0.018 0.000 0.207 286 L C 2.978 179.843 176.870 -0.009 0.000 1.078 286 L CA 1.387 56.088 54.840 -0.232 0.000 0.749 286 L CB -0.762 40.914 42.059 -0.638 0.000 0.901 286 L HN 0.330 nan 8.230 nan 0.000 0.433 287 R N -0.308 120.204 120.500 0.020 0.000 2.170 287 R HA -0.195 4.156 4.340 0.018 0.000 0.242 287 R C 2.209 178.497 176.300 -0.020 0.000 1.145 287 R CA 1.026 57.187 56.100 0.101 0.000 0.984 287 R CB -0.232 30.089 30.300 0.035 0.000 0.869 287 R HN 0.464 nan 8.270 nan 0.000 0.455 288 Q N 0.760 120.491 119.800 -0.115 0.000 2.187 288 Q HA 0.012 4.362 4.340 0.018 0.000 0.199 288 Q C 0.473 176.448 176.000 -0.042 0.000 0.957 288 Q CA 0.846 56.587 55.803 -0.104 0.000 0.857 288 Q CB 0.075 28.720 28.738 -0.155 0.000 0.929 288 Q HN 0.111 nan 8.270 nan 0.000 0.453 289 K N 1.800 122.181 120.400 -0.030 0.000 2.344 289 K HA 0.020 4.351 4.320 0.018 0.000 0.260 289 K C 0.602 177.223 176.600 0.036 0.000 0.988 289 K CA 0.289 56.573 56.287 -0.004 0.000 0.909 289 K CB 0.031 32.522 32.500 -0.016 0.000 0.968 289 K HN 0.227 nan 8.250 nan 0.000 0.505 290 T N -3.040 111.543 114.554 0.049 0.000 2.944 290 T HA 0.163 4.523 4.350 0.018 0.000 0.284 290 T C 1.222 176.011 174.700 0.149 0.000 1.010 290 T CA -0.829 61.317 62.100 0.076 0.000 1.025 290 T CB 1.633 70.529 68.868 0.047 0.000 1.079 290 T HN 0.586 nan 8.240 nan 0.000 0.516 291 E N 0.228 120.528 120.200 0.166 0.000 2.130 291 E HA -0.244 4.117 4.350 0.018 0.000 0.196 291 E C 1.559 178.300 176.600 0.235 0.000 0.998 291 E CA 1.521 58.074 56.400 0.255 0.000 0.806 291 E CB 0.007 29.738 29.700 0.051 0.000 0.738 291 E HN 0.755 nan 8.360 nan 0.000 0.459 292 E N 0.528 120.802 120.200 0.123 0.000 2.072 292 E HA -0.136 4.225 4.350 0.018 0.000 0.191 292 E C 1.872 178.531 176.600 0.097 0.000 0.985 292 E CA 1.149 57.605 56.400 0.093 0.000 0.801 292 E CB 0.029 29.759 29.700 0.049 0.000 0.750 292 E HN 0.320 nan 8.360 nan 0.000 0.452 293 E N -0.060 120.190 120.200 0.083 0.000 2.150 293 E HA -0.109 4.251 4.350 0.018 0.000 0.193 293 E C 1.941 178.567 176.600 0.044 0.000 0.985 293 E CA 0.619 57.049 56.400 0.050 0.000 0.814 293 E CB 0.006 29.722 29.700 0.027 0.000 0.752 293 E HN 0.261 nan 8.360 nan 0.000 0.466 294 L N 0.450 121.723 121.223 0.084 0.000 2.270 294 L HA -0.083 4.268 4.340 0.018 0.000 0.210 294 L C 2.365 179.266 176.870 0.051 0.000 1.104 294 L CA 0.079 54.902 54.840 -0.028 0.000 0.804 294 L CB -0.053 41.894 42.059 -0.186 0.000 0.937 294 L HN 0.168 nan 8.230 nan 0.000 0.450 295 L N -0.020 121.356 121.223 0.256 0.000 2.156 295 L HA -0.150 4.201 4.340 0.018 0.000 0.208 295 L C 2.255 179.200 176.870 0.125 0.000 1.095 295 L CA 1.688 56.697 54.840 0.282 0.000 0.770 295 L CB -0.267 41.940 42.059 0.247 0.000 0.914 295 L HN 0.167 nan 8.230 nan 0.000 0.439 296 E N -1.502 118.743 120.200 0.075 0.000 2.158 296 E HA -0.142 4.219 4.350 0.018 0.000 0.191 296 E C 1.758 178.354 176.600 -0.006 0.000 0.982 296 E CA 1.252 57.669 56.400 0.029 0.000 0.823 296 E CB 0.097 29.809 29.700 0.020 0.000 0.766 296 E HN 0.509 nan 8.360 nan 0.000 0.468 297 T N -0.449 114.095 114.554 -0.016 0.000 2.857 297 T HA -0.086 4.275 4.350 0.018 0.000 0.266 297 T C 1.789 176.435 174.700 -0.091 0.000 1.048 297 T CA 1.409 63.475 62.100 -0.056 0.000 1.139 297 T CB -0.263 68.567 68.868 -0.064 0.000 0.874 297 T HN 0.160 nan 8.240 nan 0.000 0.455 298 T N 2.509 117.036 114.554 -0.044 0.000 2.833 298 T HA 0.060 4.420 4.350 0.018 0.000 0.269 298 T C 1.719 176.348 174.700 -0.117 0.000 1.054 298 T CA 0.831 62.913 62.100 -0.029 0.000 1.135 298 T CB -0.325 68.626 68.868 0.138 0.000 0.869 298 T HN 0.316 nan 8.240 nan 0.000 0.466 299 L N -0.028 121.159 121.223 -0.060 0.000 2.554 299 L HA 0.146 4.497 4.340 0.018 0.000 0.226 299 L C 2.386 179.189 176.870 -0.111 0.000 1.137 299 L CA 0.726 55.527 54.840 -0.065 0.000 0.863 299 L CB -0.248 41.803 42.059 -0.014 0.000 0.985 299 L HN 0.149 nan 8.230 nan 0.000 0.451 300 K N -0.493 119.821 120.400 -0.144 0.000 2.242 300 K HA 0.069 4.400 4.320 0.018 0.000 0.200 300 K C 2.043 178.515 176.600 -0.214 0.000 1.050 300 K CA 0.510 56.715 56.287 -0.137 0.000 0.981 300 K CB 0.174 32.615 32.500 -0.099 0.000 0.795 300 K HN 0.141 nan 8.250 nan 0.000 0.477 301 M N 0.912 120.280 119.600 -0.386 0.000 2.296 301 M HA -0.072 4.418 4.480 0.018 0.000 0.265 301 M C 0.439 176.435 176.300 -0.507 0.000 1.064 301 M CA 1.070 56.023 55.300 -0.577 0.000 1.109 301 M CB -0.762 31.065 32.600 -1.290 0.000 1.396 301 M HN 0.062 nan 8.290 nan 0.000 0.430 302 K N -0.399 119.743 120.400 -0.429 0.000 3.372 302 K HA -0.191 4.140 4.320 0.018 0.000 0.272 302 K C 0.306 176.872 176.600 -0.057 0.000 1.037 302 K CA -0.170 56.008 56.287 -0.181 0.000 0.777 302 K CB -1.611 30.833 32.500 -0.094 0.000 1.347 302 K HN 0.265 nan 8.250 nan 0.000 0.460 303 F N -0.457 119.512 119.950 0.030 0.000 2.451 303 F HA -0.177 4.360 4.527 0.016 0.000 0.299 303 F C 2.014 177.833 175.800 0.032 0.000 1.101 303 F CA 0.805 58.824 58.000 0.032 0.000 1.436 303 F CB 0.023 39.049 39.000 0.044 0.000 1.074 303 F HN 0.437 nan 8.300 nan 0.000 0.553 304 L N -1.881 119.475 121.223 0.221 0.000 2.445 304 L HA 0.288 4.639 4.340 0.018 0.000 0.207 304 L C 1.074 178.007 176.870 0.105 0.000 1.053 304 L CA 0.435 55.362 54.840 0.145 0.000 0.841 304 L CB -0.572 41.560 42.059 0.122 0.000 1.074 304 L HN -0.209 nan 8.230 nan 0.000 0.479 305 S N 0.794 116.545 115.700 0.085 0.000 2.552 305 S HA 0.220 4.700 4.470 0.018 0.000 0.289 305 S C -0.195 174.444 174.600 0.065 0.000 1.304 305 S CA -0.388 57.848 58.200 0.060 0.000 1.063 305 S CB -0.188 63.033 63.200 0.036 0.000 0.848 305 S HN 0.346 nan 8.310 nan 0.000 0.499 306 L N 5.399 126.661 121.223 0.065 0.000 2.260 306 L HA 0.411 4.761 4.340 0.018 0.000 0.289 306 L C 0.101 176.979 176.870 0.014 0.000 1.057 306 L CA -0.255 54.620 54.840 0.057 0.000 0.811 306 L CB 0.827 42.945 42.059 0.098 0.000 1.184 306 L HN 0.645 nan 8.230 nan 0.000 0.429 307 D N 3.042 123.445 120.400 0.006 0.000 2.362 307 D HA 0.071 4.722 4.640 0.018 0.000 0.238 307 D C 0.677 176.957 176.300 -0.033 0.000 1.212 307 D CA 0.272 54.266 54.000 -0.011 0.000 0.902 307 D CB 0.950 41.745 40.800 -0.009 0.000 1.180 307 D HN 0.559 nan 8.370 nan 0.000 0.445 308 L N 0.418 121.621 121.223 -0.033 0.000 2.471 308 L HA 0.082 4.433 4.340 0.018 0.000 0.186 308 L C 1.535 178.391 176.870 -0.024 0.000 1.191 308 L CA -0.196 54.619 54.840 -0.042 0.000 0.835 308 L CB -0.676 41.359 42.059 -0.040 0.000 1.092 308 L HN 0.538 nan 8.230 nan 0.000 0.495 309 Q N 1.138 120.932 119.800 -0.011 0.000 2.370 309 Q HA 0.346 4.696 4.340 0.018 0.000 0.186 309 Q C 0.241 176.243 176.000 0.003 0.000 1.093 309 Q CA 0.445 56.250 55.803 0.003 0.000 1.142 309 Q CB 0.243 28.984 28.738 0.005 0.000 1.175 309 Q HN 0.319 nan 8.270 nan 0.000 0.625 310 G N 0.371 109.180 108.800 0.015 0.000 2.829 310 G HA2 -0.226 3.745 3.960 0.018 0.000 0.628 310 G HA3 -0.226 3.745 3.960 0.018 0.000 0.628 310 G C -1.067 173.844 174.900 0.018 0.000 1.412 310 G CA -0.059 45.048 45.100 0.013 0.000 0.864 310 G HN 0.882 nan 8.290 nan 0.000 0.544 311 D N 0.764 121.172 120.400 0.014 0.000 2.308 311 D HA 0.367 5.017 4.640 0.018 0.000 0.251 311 D C -0.696 175.544 176.300 -0.100 0.000 1.127 311 D CA -1.508 52.499 54.000 0.013 0.000 0.876 311 D CB 1.364 42.182 40.800 0.030 0.000 1.176 311 D HN 0.011 nan 8.370 nan 0.000 0.446 312 P HA -0.107 nan 4.420 nan 0.000 0.216 312 P C 1.318 178.435 177.300 -0.305 0.000 1.153 312 P CA 1.115 63.962 63.100 -0.423 0.000 0.858 312 P CB 0.312 31.392 31.700 -1.034 0.000 0.789 313 R N -0.412 119.875 120.500 -0.355 0.000 2.070 313 R HA -0.186 4.165 4.340 0.018 0.000 0.233 313 R C 2.308 178.561 176.300 -0.078 0.000 1.137 313 R CA 1.594 57.559 56.100 -0.225 0.000 0.945 313 R CB -0.748 29.429 30.300 -0.204 0.000 0.845 313 R HN 0.170 nan 8.270 nan 0.000 0.430 314 E N 1.208 121.371 120.200 -0.062 0.000 2.204 314 E HA -0.097 4.264 4.350 0.018 0.000 0.195 314 E C 0.165 176.758 176.600 -0.012 0.000 0.990 314 E CA 0.537 56.923 56.400 -0.023 0.000 0.821 314 E CB -0.068 29.622 29.700 -0.015 0.000 0.750 314 E HN 0.051 nan 8.360 nan 0.000 0.477 315 S N 0.844 116.527 115.700 -0.027 0.000 2.546 315 S HA -0.098 4.383 4.470 0.018 0.000 0.290 315 S C -0.091 174.524 174.600 0.026 0.000 1.262 315 S CA -0.421 57.775 58.200 -0.007 0.000 1.083 315 S CB 0.243 63.425 63.200 -0.029 0.000 0.859 315 S HN 0.246 nan 8.310 nan 0.000 0.495 316 Q N 7.093 126.924 119.800 0.051 0.000 2.286 316 Q HA 0.278 4.629 4.340 0.018 0.000 0.265 316 Q C -1.344 174.727 176.000 0.119 0.000 1.080 316 Q CA -1.605 54.257 55.803 0.097 0.000 0.906 316 Q CB 1.050 29.873 28.738 0.142 0.000 1.227 316 Q HN 0.511 nan 8.270 nan 0.000 0.409 317 P HA 0.033 nan 4.420 nan 0.000 0.209 317 P C -0.187 177.129 177.300 0.027 0.000 1.203 317 P CA 0.853 63.975 63.100 0.038 0.000 0.916 317 P CB 0.223 31.913 31.700 -0.016 0.000 0.763 318 L N -6.029 115.148 121.223 -0.078 0.000 3.207 318 L HA 0.390 4.741 4.340 0.018 0.000 0.286 318 L C -1.264 175.395 176.870 -0.352 0.000 0.968 318 L CA -1.060 53.589 54.840 -0.319 0.000 1.023 318 L CB 0.274 42.170 42.059 -0.270 0.000 1.564 318 L HN -0.208 nan 8.230 nan 0.000 0.384 319 L N -0.125 120.797 121.223 -0.501 0.000 2.448 319 L HA 1.003 5.354 4.340 0.018 0.000 0.258 319 L C 0.650 177.347 176.870 -0.289 0.000 1.104 319 L CA 0.222 54.881 54.840 -0.302 0.000 0.800 319 L CB 1.377 43.299 42.059 -0.228 0.000 1.241 319 L HN 1.011 nan 8.230 nan 0.000 0.472 320 G N -1.178 107.482 108.800 -0.233 0.000 2.324 320 G HA2 0.149 4.119 3.960 0.018 0.000 0.293 320 G HA3 0.149 4.119 3.960 0.018 0.000 0.293 320 G C -1.125 173.675 174.900 -0.168 0.000 1.297 320 G CA -0.827 44.050 45.100 -0.373 0.000 0.853 320 G HN 0.425 nan 8.290 nan 0.000 0.535 321 T N -0.164 114.302 114.554 -0.146 0.000 2.898 321 T HA 0.403 4.764 4.350 0.018 0.000 0.331 321 T C 0.687 175.389 174.700 0.002 0.000 1.085 321 T CA 0.965 63.112 62.100 0.079 0.000 1.129 321 T CB 0.642 69.601 68.868 0.151 0.000 1.054 321 T HN 1.878 nan 8.240 nan 0.000 0.540 322 V N -0.962 118.955 119.914 0.004 0.000 3.216 322 V HA 0.565 4.695 4.120 0.018 0.000 0.302 322 V C -1.007 175.050 176.094 -0.061 0.000 1.286 322 V CA -1.444 60.822 62.300 -0.056 0.000 1.048 322 V CB 1.986 33.752 31.823 -0.094 0.000 1.081 322 V HN 0.634 nan 8.190 nan 0.000 0.442 323 I N 3.489 124.017 120.570 -0.071 0.000 2.294 323 I HA 0.326 4.507 4.170 0.018 0.000 0.295 323 I C 0.668 176.739 176.117 -0.076 0.000 1.098 323 I CA 0.171 61.429 61.300 -0.070 0.000 1.277 323 I CB 0.166 38.126 38.000 -0.065 0.000 1.434 323 I HN 1.020 nan 8.210 nan 0.000 0.498 324 D N 3.739 124.092 120.400 -0.079 0.000 2.324 324 D HA 0.082 4.733 4.640 0.018 0.000 0.212 324 D C 1.369 177.634 176.300 -0.058 0.000 0.984 324 D CA 0.928 54.877 54.000 -0.084 0.000 0.885 324 D CB 0.347 41.080 40.800 -0.113 0.000 0.996 324 D HN 0.670 nan 8.370 nan 0.000 0.505 325 G N -0.286 108.482 108.800 -0.052 0.000 2.144 325 G HA2 -0.216 3.755 3.960 0.018 0.000 0.218 325 G HA3 -0.216 3.755 3.960 0.018 0.000 0.218 325 G C 0.666 175.549 174.900 -0.027 0.000 0.988 325 G CA 0.588 45.664 45.100 -0.039 0.000 0.659 325 G HN 0.229 nan 8.290 nan 0.000 0.522 326 M N -1.613 117.970 119.600 -0.027 0.000 2.701 326 M HA 0.430 4.921 4.480 0.018 0.000 0.189 326 M C 2.092 178.380 176.300 -0.020 0.000 2.002 326 M CA 0.657 55.953 55.300 -0.008 0.000 1.262 326 M CB -1.403 31.208 32.600 0.017 0.000 1.322 326 M HN 0.203 nan 8.290 nan 0.000 0.606 327 L N 1.499 122.707 121.223 -0.024 0.000 1.976 327 L HA 0.080 4.431 4.340 0.018 0.000 0.209 327 L C 0.462 177.286 176.870 -0.077 0.000 1.071 327 L CA 1.786 56.602 54.840 -0.040 0.000 0.746 327 L CB -0.097 41.944 42.059 -0.031 0.000 0.890 327 L HN 0.205 nan 8.230 nan 0.000 0.432 328 L N -0.219 120.957 121.223 -0.079 0.000 2.333 328 L HA 0.241 4.592 4.340 0.018 0.000 0.280 328 L C 0.407 177.227 176.870 -0.084 0.000 1.004 328 L CA -0.439 54.343 54.840 -0.097 0.000 0.820 328 L CB 1.798 43.800 42.059 -0.095 0.000 1.247 328 L HN 0.114 nan 8.230 nan 0.000 0.416 329 L N 2.902 124.070 121.223 -0.093 0.000 2.558 329 L HA 0.155 4.506 4.340 0.018 0.000 0.225 329 L C 0.305 177.134 176.870 -0.069 0.000 1.128 329 L CA 0.405 55.201 54.840 -0.074 0.000 0.868 329 L CB -0.309 41.704 42.059 -0.076 0.000 1.006 329 L HN 0.624 nan 8.230 nan 0.000 0.454 330 K N -1.652 118.702 120.400 -0.076 0.000 2.660 330 K HA 0.224 4.555 4.320 0.018 0.000 0.285 330 K C -0.381 176.178 176.600 -0.070 0.000 0.997 330 K CA -0.715 55.533 56.287 -0.066 0.000 0.861 330 K CB 0.443 32.908 32.500 -0.058 0.000 1.469 330 K HN -0.113 nan 8.250 nan 0.000 0.395 331 T N -0.835 113.681 114.554 -0.062 0.000 2.923 331 T HA -0.002 4.359 4.350 0.018 0.000 0.309 331 T C -1.653 173.010 174.700 -0.062 0.000 1.059 331 T CA -0.208 61.854 62.100 -0.063 0.000 1.133 331 T CB 0.004 68.836 68.868 -0.060 0.000 1.053 331 T HN 0.443 nan 8.240 nan 0.000 0.530 332 P HA -0.096 nan 4.420 nan 0.000 0.217 332 P C 1.391 178.669 177.300 -0.036 0.000 1.148 332 P CA 1.112 64.180 63.100 -0.053 0.000 0.828 332 P CB 0.071 31.740 31.700 -0.052 0.000 0.783 333 E N -0.055 120.123 120.200 -0.038 0.000 2.023 333 E HA -0.211 4.149 4.350 0.018 0.000 0.196 333 E C 1.939 178.527 176.600 -0.020 0.000 1.003 333 E CA 1.495 57.880 56.400 -0.025 0.000 0.809 333 E CB -0.810 28.870 29.700 -0.034 0.000 0.755 333 E HN 0.418 nan 8.360 nan 0.000 0.449 334 E N 0.471 120.653 120.200 -0.029 0.000 2.012 334 E HA -0.193 4.168 4.350 0.018 0.000 0.197 334 E C 2.304 178.888 176.600 -0.027 0.000 1.007 334 E CA 1.095 57.479 56.400 -0.027 0.000 0.816 334 E CB -0.389 29.291 29.700 -0.034 0.000 0.762 334 E HN 0.129 nan 8.360 nan 0.000 0.451 335 L N 1.099 122.296 121.223 -0.044 0.000 2.054 335 L HA -0.340 4.010 4.340 0.018 0.000 0.220 335 L C 2.537 179.392 176.870 -0.026 0.000 1.081 335 L CA 1.613 56.419 54.840 -0.057 0.000 0.780 335 L CB -0.593 41.414 42.059 -0.088 0.000 0.893 335 L HN 0.239 nan 8.230 nan 0.000 0.438 336 Q N -0.971 118.826 119.800 -0.004 0.000 2.576 336 Q HA -0.146 4.205 4.340 0.018 0.000 0.218 336 Q C 1.944 177.959 176.000 0.026 0.000 0.983 336 Q CA 0.829 56.648 55.803 0.027 0.000 0.920 336 Q CB -0.104 28.659 28.738 0.041 0.000 0.973 336 Q HN 0.597 nan 8.270 nan 0.000 0.528 337 A N 0.298 123.125 122.820 0.011 0.000 2.147 337 A HA 0.031 4.361 4.320 0.018 0.000 0.211 337 A C 0.245 177.836 177.584 0.012 0.000 1.160 337 A CA 0.185 52.229 52.037 0.012 0.000 0.781 337 A CB 0.452 19.455 19.000 0.004 0.000 0.842 337 A HN 0.154 nan 8.150 nan 0.000 0.475 338 E N -0.731 119.476 120.200 0.011 0.000 2.166 338 E HA 0.532 4.892 4.350 0.018 0.000 0.275 338 E C 0.025 176.650 176.600 0.040 0.000 0.941 338 E CA -0.390 56.022 56.400 0.020 0.000 0.784 338 E CB 1.382 31.091 29.700 0.015 0.000 1.115 338 E HN 0.167 nan 8.360 nan 0.000 0.399 339 R N 1.384 121.906 120.500 0.036 0.000 2.365 339 R HA 0.042 4.393 4.340 0.018 0.000 0.223 339 R C 1.235 177.563 176.300 0.047 0.000 0.899 339 R CA -0.020 56.100 56.100 0.033 0.000 1.059 339 R CB -0.100 30.197 30.300 -0.004 0.000 1.086 339 R HN 0.483 nan 8.270 nan 0.000 0.522 340 N N 0.658 119.395 118.700 0.062 0.000 2.513 340 N HA -0.192 4.558 4.740 0.018 0.000 0.187 340 N C 0.126 175.704 175.510 0.113 0.000 1.056 340 N CA 0.646 53.734 53.050 0.063 0.000 0.907 340 N CB -0.135 38.389 38.487 0.061 0.000 0.954 340 N HN 0.125 nan 8.380 nan 0.000 0.445 341 F N 2.501 122.439 119.950 -0.020 0.000 2.370 341 F HA 0.225 4.763 4.527 0.018 0.000 0.324 341 F C 1.054 176.852 175.800 -0.004 0.000 1.116 341 F CA -1.159 56.841 58.000 -0.001 0.000 1.123 341 F CB 0.566 39.568 39.000 0.004 0.000 1.238 341 F HN -0.011 nan 8.300 nan 0.000 0.536 342 H N 1.943 120.510 119.070 -0.838 0.000 2.852 342 H HA 0.218 4.785 4.556 0.018 0.000 0.362 342 H C -0.708 174.410 175.328 -0.349 0.000 1.122 342 H CA 0.923 56.622 56.048 -0.582 0.000 1.419 342 H CB 0.743 30.085 29.762 -0.700 0.000 1.401 342 H HN 0.733 nan 8.280 nan 0.000 0.609 343 T N 1.534 115.830 114.554 -0.429 0.000 2.906 343 T HA 0.588 4.949 4.350 0.018 0.000 0.295 343 T C -0.399 174.281 174.700 -0.033 0.000 1.061 343 T CA -0.775 61.253 62.100 -0.120 0.000 1.000 343 T CB 1.529 70.278 68.868 -0.199 0.000 1.103 343 T HN 0.473 nan 8.240 nan 0.000 0.486 344 V N -2.101 117.905 119.914 0.153 0.000 3.114 344 V HA 0.738 4.869 4.120 0.018 0.000 0.308 344 V C -3.177 173.111 176.094 0.323 0.000 1.168 344 V CA -3.208 59.197 62.300 0.175 0.000 1.015 344 V CB 1.340 33.225 31.823 0.104 0.000 1.050 344 V HN 0.705 nan 8.190 nan 0.000 0.433 345 P HA 0.090 nan 4.420 nan 0.000 0.261 345 P C -1.354 176.257 177.300 0.519 0.000 1.173 345 P CA 0.725 64.029 63.100 0.340 0.000 0.760 345 P CB -0.077 31.638 31.700 0.025 0.000 0.783 346 Y N 3.132 123.600 120.300 0.281 0.000 2.442 346 Y HA 0.559 5.120 4.550 0.018 0.000 0.344 346 Y C -0.681 175.184 175.900 -0.057 0.000 0.976 346 Y CA -1.478 56.617 58.100 -0.008 0.000 1.040 346 Y CB 1.753 39.793 38.460 -0.700 0.000 1.228 346 Y HN 0.183 nan 8.280 nan 0.000 0.451 347 M N 7.524 127.090 119.600 -0.057 0.000 2.085 347 M HA 0.409 4.900 4.480 0.018 0.000 0.309 347 M C -2.242 173.837 176.300 -0.368 0.000 0.947 347 M CA -0.729 54.299 55.300 -0.453 0.000 0.918 347 M CB 1.059 32.987 32.600 -1.119 0.000 1.504 347 M HN 0.400 nan 8.290 nan 0.000 0.420 348 V N 4.387 124.045 119.914 -0.427 0.000 2.357 348 V HA 0.819 4.950 4.120 0.018 0.000 0.284 348 V C 0.348 176.211 176.094 -0.385 0.000 1.018 348 V CA -0.515 61.523 62.300 -0.435 0.000 0.841 348 V CB 1.381 32.833 31.823 -0.619 0.000 0.991 348 V HN 0.958 nan 8.190 nan 0.000 0.437 349 G N 4.170 112.644 108.800 -0.544 0.000 2.605 349 G HA2 0.873 4.844 3.960 0.018 0.000 0.296 349 G HA3 0.873 4.844 3.960 0.018 0.000 0.296 349 G C -1.010 173.396 174.900 -0.824 0.000 1.304 349 G CA -0.688 43.600 45.100 -1.352 0.000 0.941 349 G HN 0.830 nan 8.290 nan 0.000 0.475 350 I N -2.370 117.851 120.570 -0.581 0.000 3.445 350 I HA 0.652 4.833 4.170 0.018 0.000 0.303 350 I C -0.887 175.270 176.117 0.067 0.000 1.129 350 I CA -1.493 59.715 61.300 -0.153 0.000 0.989 350 I CB 2.397 40.367 38.000 -0.051 0.000 1.314 350 I HN 0.393 nan 8.210 nan 0.000 0.488 351 N N 0.961 119.725 118.700 0.106 0.000 2.284 351 N HA 0.215 4.965 4.740 0.018 0.000 0.300 351 N C -0.155 175.460 175.510 0.175 0.000 1.047 351 N CA -0.754 52.431 53.050 0.226 0.000 0.821 351 N CB 2.396 41.019 38.487 0.227 0.000 1.337 351 N HN 0.515 nan 8.380 nan 0.000 0.482 352 K N 1.228 121.744 120.400 0.193 0.000 2.071 352 K HA -0.230 4.101 4.320 0.018 0.000 0.217 352 K C 0.136 176.820 176.600 0.140 0.000 1.054 352 K CA 1.979 58.354 56.287 0.146 0.000 0.937 352 K CB 0.068 32.638 32.500 0.117 0.000 0.719 352 K HN 0.587 nan 8.250 nan 0.000 0.454 353 Q N 0.048 119.937 119.800 0.148 0.000 2.851 353 Q HA 0.102 4.453 4.340 0.018 0.000 0.331 353 Q C -0.050 176.055 176.000 0.175 0.000 0.979 353 Q CA -0.355 55.543 55.803 0.157 0.000 0.955 353 Q CB 1.382 30.206 28.738 0.143 0.000 1.298 353 Q HN 0.170 nan 8.270 nan 0.000 0.432 354 E N 0.268 120.563 120.200 0.157 0.000 2.097 354 E HA -0.185 4.176 4.350 0.018 0.000 0.196 354 E C 0.514 177.234 176.600 0.201 0.000 1.000 354 E CA 1.338 57.802 56.400 0.107 0.000 0.804 354 E CB 0.119 29.771 29.700 -0.080 0.000 0.740 354 E HN 0.468 nan 8.360 nan 0.000 0.454 355 F N 0.355 120.342 119.950 0.060 0.000 2.668 355 F HA 0.235 4.772 4.527 0.018 0.000 0.297 355 F C 1.739 177.559 175.800 0.034 0.000 1.124 355 F CA -0.181 57.826 58.000 0.011 0.000 1.353 355 F CB 0.385 39.355 39.000 -0.050 0.000 0.992 355 F HN -0.048 nan 8.300 nan 0.000 0.524 356 G N 0.413 109.296 108.800 0.139 0.000 2.480 356 G HA2 -0.320 3.651 3.960 0.018 0.000 0.216 356 G HA3 -0.320 3.651 3.960 0.018 0.000 0.216 356 G C 1.127 176.139 174.900 0.188 0.000 1.200 356 G CA 1.592 46.789 45.100 0.162 0.000 0.782 356 G HN 0.633 nan 8.290 nan 0.000 0.554 357 W N -1.474 119.787 121.300 -0.064 0.000 4.862 357 W HA 0.297 4.968 4.660 0.019 0.000 0.164 357 W C 1.747 178.200 176.519 -0.109 0.000 1.072 357 W CA 0.234 57.533 57.345 -0.076 0.000 1.730 357 W CB -0.527 28.920 29.460 -0.022 0.000 0.542 357 W HN 0.059 nan 8.180 nan 0.000 1.046 358 L N 2.128 123.232 121.223 -0.198 0.000 1.978 358 L HA -0.193 4.158 4.340 0.018 0.000 0.218 358 L C 2.115 178.670 176.870 -0.525 0.000 1.075 358 L CA 2.857 57.415 54.840 -0.469 0.000 0.767 358 L CB -1.146 40.942 42.059 0.047 0.000 0.890 358 L HN 0.214 nan 8.230 nan 0.000 0.434 359 I N -0.713 119.586 120.570 -0.452 0.000 2.090 359 I HA -0.230 3.951 4.170 0.018 0.000 0.236 359 I C -0.189 175.621 176.117 -0.512 0.000 1.064 359 I CA 1.561 62.572 61.300 -0.482 0.000 1.324 359 I CB -1.761 35.874 38.000 -0.608 0.000 1.044 359 I HN 0.241 nan 8.210 nan 0.000 0.399 360 P HA -0.204 nan 4.420 nan 0.000 0.216 360 P C 1.186 178.319 177.300 -0.278 0.000 1.157 360 P CA 1.235 64.088 63.100 -0.411 0.000 0.880 360 P CB -0.070 31.368 31.700 -0.436 0.000 0.791 364 M N 1.219 120.791 119.600 -0.046 0.000 2.700 364 M HA 0.013 4.504 4.480 0.018 0.000 0.249 364 M C 0.315 176.656 176.300 0.069 0.000 1.082 364 M CA 0.629 55.956 55.300 0.045 0.000 1.077 364 M CB -0.295 32.379 32.600 0.124 0.000 1.477 364 M HN 0.345 nan 8.290 nan 0.000 0.529 365 S N -0.015 115.703 115.700 0.030 0.000 3.628 365 S HA -0.201 4.279 4.470 0.018 0.000 0.373 365 S C -0.282 174.372 174.600 0.090 0.000 0.968 365 S CA 0.278 58.502 58.200 0.040 0.000 1.215 365 S CB -2.123 61.087 63.200 0.018 0.000 0.912 365 S HN 0.520 nan 8.310 nan 0.000 0.495 366 Y N 1.599 121.906 120.300 0.013 0.000 2.497 366 Y HA 0.277 4.838 4.550 0.018 0.000 0.334 366 Y C -1.426 174.518 175.900 0.073 0.000 1.199 366 Y CA -1.417 56.728 58.100 0.076 0.000 1.425 366 Y CB 0.478 39.013 38.460 0.126 0.000 1.291 366 Y HN 0.065 nan 8.280 nan 0.000 0.562 367 P HA -0.075 nan 4.420 nan 0.000 0.278 367 P C -0.990 176.377 177.300 0.112 0.000 1.366 367 P CA 0.947 64.037 63.100 -0.017 0.000 0.750 367 P CB -0.393 31.221 31.700 -0.142 0.000 1.271 368 L N -0.116 121.244 121.223 0.228 0.000 2.260 368 L HA 0.261 4.612 4.340 0.018 0.000 0.289 368 L C 1.189 178.145 176.870 0.143 0.000 1.057 368 L CA 0.078 55.047 54.840 0.214 0.000 0.811 368 L CB 0.923 43.153 42.059 0.284 0.000 1.184 368 L HN 0.015 nan 8.230 nan 0.000 0.429 369 S N -0.203 115.561 115.700 0.107 0.000 2.660 369 S HA -0.002 4.479 4.470 0.018 0.000 0.262 369 S C 0.968 175.609 174.600 0.068 0.000 1.006 369 S CA -0.523 57.728 58.200 0.084 0.000 1.174 369 S CB -0.020 63.219 63.200 0.065 0.000 0.939 369 S HN 0.571 nan 8.310 nan 0.000 0.438 370 E N 1.949 122.185 120.200 0.060 0.000 2.478 370 E HA 0.229 4.590 4.350 0.018 0.000 0.198 370 E C 1.348 177.980 176.600 0.054 0.000 1.046 370 E CA 0.384 56.813 56.400 0.048 0.000 0.870 370 E CB -0.407 29.315 29.700 0.038 0.000 0.818 370 E HN 0.834 nan 8.360 nan 0.000 0.527 371 G N 2.154 110.997 108.800 0.071 0.000 2.166 371 G HA2 -0.329 3.642 3.960 0.018 0.000 0.260 371 G HA3 -0.329 3.642 3.960 0.018 0.000 0.260 371 G C 0.033 174.977 174.900 0.072 0.000 0.986 371 G CA 0.940 46.086 45.100 0.076 0.000 0.683 371 G HN 0.428 nan 8.290 nan 0.000 0.527 372 Q N -1.801 118.039 119.800 0.067 0.000 2.386 372 Q HA 0.766 5.117 4.340 0.018 0.000 0.274 372 Q C -1.842 174.186 176.000 0.046 0.000 1.011 372 Q CA -1.333 54.505 55.803 0.058 0.000 0.867 372 Q CB 2.148 30.912 28.738 0.044 0.000 1.409 372 Q HN 0.635 nan 8.270 nan 0.000 0.395 373 L N 2.597 123.845 121.223 0.041 0.000 2.410 373 L HA 0.500 4.851 4.340 0.018 0.000 0.270 373 L C -1.265 175.607 176.870 0.004 0.000 0.983 373 L CA -0.135 54.707 54.840 0.003 0.000 0.822 373 L CB 1.942 43.980 42.059 -0.035 0.000 1.285 373 L HN 0.861 nan 8.230 nan 0.000 0.409 374 D N 3.059 123.453 120.400 -0.011 0.000 2.388 374 D HA 0.160 4.811 4.640 0.018 0.000 0.254 374 D C 0.130 176.428 176.300 -0.004 0.000 1.111 374 D CA -0.459 53.542 54.000 0.002 0.000 0.993 374 D CB 0.915 41.716 40.800 0.002 0.000 1.118 374 D HN 0.489 nan 8.370 nan 0.000 0.502 375 Q N 0.133 119.943 119.800 0.016 0.000 2.002 375 Q HA -0.142 4.209 4.340 0.018 0.000 0.204 375 Q C 1.818 177.829 176.000 0.017 0.000 0.988 375 Q CA 1.332 57.152 55.803 0.028 0.000 0.843 375 Q CB -0.341 28.418 28.738 0.035 0.000 0.908 375 Q HN 0.471 nan 8.270 nan 0.000 0.420 376 K N 0.252 120.659 120.400 0.011 0.000 2.074 376 K HA -0.090 4.240 4.320 0.018 0.000 0.209 376 K C 2.152 178.751 176.600 -0.001 0.000 1.048 376 K CA 1.521 57.813 56.287 0.008 0.000 0.926 376 K CB -0.835 31.668 32.500 0.004 0.000 0.713 376 K HN 0.281 nan 8.250 nan 0.000 0.444 377 T N 1.347 115.889 114.554 -0.019 0.000 2.770 377 T HA -0.051 4.310 4.350 0.018 0.000 0.263 377 T C 2.031 176.679 174.700 -0.087 0.000 1.039 377 T CA 1.349 63.424 62.100 -0.042 0.000 1.142 377 T CB -0.299 68.537 68.868 -0.053 0.000 0.868 377 T HN 0.324 nan 8.240 nan 0.000 0.435 378 A N 1.816 124.552 122.820 -0.139 0.000 1.948 378 A HA -0.160 4.171 4.320 0.018 0.000 0.220 378 A C 2.330 179.880 177.584 -0.056 0.000 1.177 378 A CA 1.770 53.634 52.037 -0.288 0.000 0.636 378 A CB -0.773 18.122 19.000 -0.175 0.000 0.815 378 A HN 0.498 nan 8.150 nan 0.000 0.449 379 M N -1.098 118.533 119.600 0.051 0.000 2.200 379 M HA -0.075 4.416 4.480 0.018 0.000 0.265 379 M C 2.391 178.789 176.300 0.163 0.000 1.066 379 M CA 1.502 56.884 55.300 0.136 0.000 1.127 379 M CB -0.394 32.259 32.600 0.089 0.000 1.379 379 M HN 0.374 nan 8.290 nan 0.000 0.420 380 S N 1.099 116.859 115.700 0.099 0.000 2.368 380 S HA -0.045 4.436 4.470 0.018 0.000 0.224 380 S C 1.881 176.590 174.600 0.181 0.000 1.029 380 S CA 1.000 59.281 58.200 0.135 0.000 0.988 380 S CB -0.258 62.981 63.200 0.066 0.000 0.838 380 S HN 0.377 nan 8.310 nan 0.000 0.462 381 L N 0.786 122.060 121.223 0.086 0.000 2.005 381 L HA -0.086 4.265 4.340 0.018 0.000 0.207 381 L C 2.354 179.398 176.870 0.290 0.000 1.072 381 L CA 1.048 55.937 54.840 0.082 0.000 0.744 381 L CB -0.406 41.602 42.059 -0.085 0.000 0.895 381 L HN 0.298 nan 8.230 nan 0.000 0.433 382 L N -0.260 121.227 121.223 0.440 0.000 2.051 382 L HA -0.334 4.017 4.340 0.018 0.000 0.214 382 L C 2.212 179.338 176.870 0.427 0.000 1.076 382 L CA 2.085 57.278 54.840 0.589 0.000 0.758 382 L CB -0.919 41.505 42.059 0.609 0.000 0.890 382 L HN 0.449 nan 8.230 nan 0.000 0.433 383 W N 0.767 122.189 121.300 0.203 0.000 2.358 383 W HA -0.238 4.433 4.660 0.019 0.000 0.303 383 W C 1.849 178.463 176.519 0.158 0.000 1.208 383 W CA 1.461 58.907 57.345 0.170 0.000 1.274 383 W CB -0.044 29.481 29.460 0.108 0.000 1.138 383 W HN 0.168 nan 8.180 nan 0.000 0.515 384 K N 0.496 120.949 120.400 0.089 0.000 2.616 384 K HA -0.032 4.299 4.320 0.018 0.000 0.192 384 K C 0.952 177.534 176.600 -0.029 0.000 1.031 384 K CA 0.593 56.842 56.287 -0.063 0.000 1.004 384 K CB -0.054 32.447 32.500 0.001 0.000 0.810 384 K HN -0.120 nan 8.250 nan 0.000 0.497 385 S N -0.251 115.477 115.700 0.047 0.000 2.741 385 S HA 0.074 4.555 4.470 0.018 0.000 0.247 385 S C 0.456 175.062 174.600 0.010 0.000 1.050 385 S CA -0.600 57.654 58.200 0.090 0.000 1.025 385 S CB -0.057 63.283 63.200 0.233 0.000 0.897 385 S HN 0.328 nan 8.310 nan 0.000 0.508 386 Y N 4.240 124.411 120.300 -0.215 0.000 2.114 386 Y HA -0.098 4.463 4.550 0.018 0.000 0.282 386 Y C -0.875 174.923 175.900 -0.170 0.000 1.165 386 Y CA 1.755 59.702 58.100 -0.255 0.000 1.148 386 Y CB -0.869 37.285 38.460 -0.511 0.000 0.972 386 Y HN 0.260 nan 8.280 nan 0.000 0.504 387 P HA -0.143 nan 4.420 nan 0.000 0.231 387 P C 0.915 178.128 177.300 -0.144 0.000 1.158 387 P CA 1.525 64.566 63.100 -0.099 0.000 0.763 387 P CB -0.051 31.640 31.700 -0.016 0.000 0.805 388 L N -1.322 119.812 121.223 -0.150 0.000 2.672 388 L HA 0.091 4.441 4.340 0.018 0.000 0.236 388 L C 2.073 178.785 176.870 -0.264 0.000 1.092 388 L CA 0.251 54.991 54.840 -0.168 0.000 0.887 388 L CB 0.423 42.429 42.059 -0.089 0.000 1.168 388 L HN -0.147 nan 8.230 nan 0.000 0.502 389 V N -6.712 113.031 119.914 -0.284 0.000 3.350 389 V HA 0.200 4.331 4.120 0.018 0.000 0.246 389 V C 1.018 176.916 176.094 -0.327 0.000 1.363 389 V CA -0.475 61.647 62.300 -0.298 0.000 1.162 389 V CB 0.504 32.184 31.823 -0.239 0.000 0.947 389 V HN 0.225 nan 8.190 nan 0.000 0.454 390 C N 1.784 120.749 119.300 -0.558 0.000 3.827 390 C HA -0.123 4.348 4.460 0.018 0.000 0.304 390 C C 0.055 174.857 174.990 -0.313 0.000 1.201 390 C CA 0.358 58.826 59.018 -0.917 0.000 2.253 390 C CB -2.500 24.832 27.740 -0.681 0.000 1.398 390 C HN 0.623 nan 8.230 nan 0.000 0.601 391 I N 1.390 121.994 120.570 0.056 0.000 2.498 391 I HA 0.578 4.759 4.170 0.018 0.000 0.290 391 I C 0.614 177.120 176.117 0.649 0.000 1.032 391 I CA -0.419 61.108 61.300 0.378 0.000 1.073 391 I CB 1.629 39.857 38.000 0.380 0.000 1.251 391 I HN 0.482 nan 8.210 nan 0.000 0.426 392 A N 5.068 128.194 122.820 0.510 0.000 2.477 392 A HA 0.105 4.435 4.320 0.018 0.000 0.246 392 A C 1.297 179.048 177.584 0.278 0.000 1.078 392 A CA -0.081 52.219 52.037 0.440 0.000 0.770 392 A CB 0.247 19.390 19.000 0.238 0.000 1.011 392 A HN 0.947 nan 8.150 nan 0.000 0.494 393 K N 1.266 121.604 120.400 -0.103 0.000 2.281 393 K HA -0.190 4.141 4.320 0.018 0.000 0.203 393 K C 1.528 177.998 176.600 -0.217 0.000 1.046 393 K CA 1.927 57.923 56.287 -0.485 0.000 0.938 393 K CB -0.006 31.547 32.500 -1.577 0.000 0.737 393 K HN 0.917 nan 8.250 nan 0.000 0.458 394 E N -0.087 120.039 120.200 -0.123 0.000 2.435 394 E HA -0.115 4.246 4.350 0.018 0.000 0.195 394 E C 1.617 178.225 176.600 0.013 0.000 1.029 394 E CA 0.402 56.766 56.400 -0.060 0.000 0.865 394 E CB 0.042 29.715 29.700 -0.044 0.000 0.833 394 E HN 0.324 nan 8.360 nan 0.000 0.510 395 L N 0.372 121.637 121.223 0.070 0.000 2.357 395 L HA 0.027 4.378 4.340 0.018 0.000 0.211 395 L C 2.241 179.195 176.870 0.140 0.000 1.075 395 L CA -0.141 54.768 54.840 0.115 0.000 0.830 395 L CB -0.159 42.009 42.059 0.181 0.000 0.996 395 L HN 0.116 nan 8.230 nan 0.000 0.467 396 I N 0.971 121.642 120.570 0.169 0.000 2.121 396 I HA -0.277 3.904 4.170 0.018 0.000 0.243 396 I C -0.087 176.124 176.117 0.157 0.000 1.047 396 I CA 2.295 63.715 61.300 0.201 0.000 1.308 396 I CB -2.536 35.579 38.000 0.192 0.000 1.015 396 I HN 0.174 nan 8.210 nan 0.000 0.410 397 P HA -0.196 nan 4.420 nan 0.000 0.216 397 P C 1.769 179.126 177.300 0.094 0.000 1.153 397 P CA 1.644 64.793 63.100 0.082 0.000 0.858 397 P CB -0.052 31.674 31.700 0.044 0.000 0.789 398 E N -0.802 119.453 120.200 0.092 0.000 2.077 398 E HA -0.185 4.176 4.350 0.018 0.000 0.193 398 E C 1.933 178.621 176.600 0.147 0.000 0.989 398 E CA 1.193 57.651 56.400 0.098 0.000 0.800 398 E CB -0.406 29.332 29.700 0.063 0.000 0.746 398 E HN 0.076 nan 8.360 nan 0.000 0.452 399 A N 0.296 123.207 122.820 0.151 0.000 1.841 399 A HA -0.131 4.199 4.320 0.018 0.000 0.214 399 A C 2.338 180.042 177.584 0.201 0.000 1.195 399 A CA 1.910 54.049 52.037 0.170 0.000 0.611 399 A CB -1.017 18.115 19.000 0.220 0.000 0.835 399 A HN 0.315 nan 8.150 nan 0.000 0.443 400 T N -0.189 114.490 114.554 0.207 0.000 2.969 400 T HA -0.142 4.218 4.350 0.018 0.000 0.271 400 T C 1.615 176.419 174.700 0.173 0.000 1.127 400 T CA 1.775 64.005 62.100 0.217 0.000 1.102 400 T CB -0.155 68.833 68.868 0.200 0.000 0.855 400 T HN 0.563 nan 8.240 nan 0.000 0.536 401 E N 1.144 121.424 120.200 0.134 0.000 2.075 401 E HA 0.076 4.437 4.350 0.018 0.000 0.190 401 E C 2.102 178.726 176.600 0.040 0.000 0.969 401 E CA 0.730 57.180 56.400 0.083 0.000 0.815 401 E CB -0.138 29.601 29.700 0.064 0.000 0.776 401 E HN 0.265 nan 8.360 nan 0.000 0.457 402 K N -0.956 119.448 120.400 0.006 0.000 2.152 402 K HA -0.163 4.167 4.320 0.018 0.000 0.206 402 K C 1.478 177.970 176.600 -0.181 0.000 1.048 402 K CA 1.471 57.634 56.287 -0.208 0.000 0.933 402 K CB -0.279 31.860 32.500 -0.601 0.000 0.721 402 K HN 0.182 nan 8.250 nan 0.000 0.447 403 Y N -0.623 119.611 120.300 -0.110 0.000 2.314 403 Y HA 0.206 4.767 4.550 0.018 0.000 0.294 403 Y C 1.591 177.504 175.900 0.022 0.000 1.139 403 Y CA 0.698 58.779 58.100 -0.032 0.000 1.162 403 Y CB 0.171 38.662 38.460 0.052 0.000 1.121 403 Y HN -0.124 nan 8.280 nan 0.000 0.529 404 L N -0.654 120.705 121.223 0.227 0.000 2.591 404 L HA 0.137 4.488 4.340 0.018 0.000 0.228 404 L C 2.078 179.003 176.870 0.091 0.000 1.133 404 L CA 0.527 55.465 54.840 0.163 0.000 0.880 404 L CB -0.447 41.728 42.059 0.192 0.000 1.033 404 L HN 0.273 nan 8.230 nan 0.000 0.450 405 G N -0.063 108.772 108.800 0.059 0.000 2.679 405 G HA2 0.005 3.976 3.960 0.018 0.000 0.212 405 G HA3 0.005 3.976 3.960 0.018 0.000 0.212 405 G C 1.019 175.925 174.900 0.010 0.000 1.137 405 G CA 0.485 45.601 45.100 0.027 0.000 0.787 405 G HN 0.434 nan 8.290 nan 0.000 0.534 406 G N 0.170 108.975 108.800 0.007 0.000 2.679 406 G HA2 0.311 4.282 3.960 0.018 0.000 0.202 406 G HA3 0.311 4.282 3.960 0.018 0.000 0.202 406 G C 0.391 175.299 174.900 0.013 0.000 1.566 406 G CA 0.197 45.296 45.100 -0.002 0.000 1.074 406 G HN 0.208 nan 8.290 nan 0.000 0.564 407 T N 0.204 114.767 114.554 0.014 0.000 2.897 407 T HA 0.024 4.385 4.350 0.018 0.000 0.304 407 T C 0.102 174.819 174.700 0.027 0.000 1.051 407 T CA 1.164 63.276 62.100 0.019 0.000 1.132 407 T CB 0.485 69.366 68.868 0.022 0.000 1.066 407 T HN 0.493 nan 8.240 nan 0.000 0.518 408 D N 1.478 121.892 120.400 0.023 0.000 2.973 408 D HA 0.221 4.871 4.640 0.018 0.000 0.263 408 D C -0.817 175.499 176.300 0.028 0.000 1.266 408 D CA -0.462 53.554 54.000 0.026 0.000 0.975 408 D CB 0.017 40.829 40.800 0.020 0.000 1.032 408 D HN 0.384 nan 8.370 nan 0.000 0.510 409 D N -0.355 120.066 120.400 0.034 0.000 2.481 409 D HA 0.111 4.762 4.640 0.018 0.000 0.246 409 D C 1.417 177.743 176.300 0.044 0.000 1.109 409 D CA -0.494 53.527 54.000 0.035 0.000 0.845 409 D CB 1.473 42.293 40.800 0.033 0.000 1.160 409 D HN 0.126 nan 8.370 nan 0.000 0.534 410 T N 0.308 114.886 114.554 0.040 0.000 2.760 410 T HA -0.199 4.162 4.350 0.018 0.000 0.269 410 T C 1.818 176.552 174.700 0.057 0.000 1.047 410 T CA 1.422 63.549 62.100 0.045 0.000 1.139 410 T CB -0.329 68.561 68.868 0.035 0.000 0.855 410 T HN 0.240 nan 8.240 nan 0.000 0.471 411 V N 1.733 121.680 119.914 0.054 0.000 2.273 411 V HA -0.065 4.066 4.120 0.018 0.000 0.242 411 V C 2.653 178.793 176.094 0.077 0.000 1.035 411 V CA 1.550 63.888 62.300 0.062 0.000 1.013 411 V CB -0.542 31.310 31.823 0.049 0.000 0.652 411 V HN 0.440 nan 8.190 nan 0.000 0.452 412 K N 0.098 120.539 120.400 0.068 0.000 2.360 412 K HA -0.187 4.144 4.320 0.018 0.000 0.201 412 K C 2.071 178.734 176.600 0.105 0.000 1.046 412 K CA 1.117 57.450 56.287 0.077 0.000 0.940 412 K CB -0.141 32.395 32.500 0.059 0.000 0.748 412 K HN 0.456 nan 8.250 nan 0.000 0.465 413 K N 0.933 121.398 120.400 0.109 0.000 2.005 413 K HA -0.076 4.255 4.320 0.018 0.000 0.206 413 K C 2.042 178.759 176.600 0.195 0.000 1.044 413 K CA 0.724 57.096 56.287 0.141 0.000 0.942 413 K CB -0.036 32.528 32.500 0.106 0.000 0.727 413 K HN -0.096 nan 8.250 nan 0.000 0.439 414 K N 1.516 122.015 120.400 0.165 0.000 2.173 414 K HA -0.256 4.075 4.320 0.018 0.000 0.207 414 K C 1.029 177.771 176.600 0.237 0.000 1.046 414 K CA 1.854 58.263 56.287 0.204 0.000 0.929 414 K CB -0.153 32.439 32.500 0.152 0.000 0.720 414 K HN 0.165 nan 8.250 nan 0.000 0.453 415 D N 0.369 120.881 120.400 0.187 0.000 2.213 415 D HA -0.028 4.622 4.640 0.018 0.000 0.205 415 D C 2.061 178.477 176.300 0.193 0.000 0.961 415 D CA 0.456 54.560 54.000 0.172 0.000 0.853 415 D CB 0.165 41.041 40.800 0.127 0.000 0.967 415 D HN 0.223 nan 8.370 nan 0.000 0.496 416 L N -0.053 121.296 121.223 0.211 0.000 2.131 416 L HA -0.086 4.265 4.340 0.018 0.000 0.206 416 L C 2.286 179.326 176.870 0.284 0.000 1.087 416 L CA 0.422 55.407 54.840 0.241 0.000 0.767 416 L CB -0.216 41.979 42.059 0.227 0.000 0.917 416 L HN -0.036 nan 8.230 nan 0.000 0.441 417 F N 0.510 120.549 119.950 0.148 0.000 2.269 417 F HA -0.218 4.320 4.527 0.018 0.000 0.301 417 F C 2.006 177.850 175.800 0.074 0.000 1.082 417 F CA 1.381 59.451 58.000 0.116 0.000 1.360 417 F CB -0.047 39.031 39.000 0.130 0.000 1.041 417 F HN -0.075 nan 8.300 nan 0.000 0.512 418 L N -0.505 120.786 121.223 0.113 0.000 2.049 418 L HA -0.165 4.186 4.340 0.018 0.000 0.203 418 L C 2.115 178.991 176.870 0.011 0.000 1.074 418 L CA 1.290 56.166 54.840 0.060 0.000 0.749 418 L CB -0.865 41.324 42.059 0.217 0.000 0.907 418 L HN -0.054 nan 8.230 nan 0.000 0.439 419 D N 0.390 120.857 120.400 0.111 0.000 2.311 419 D HA -0.177 4.474 4.640 0.018 0.000 0.212 419 D C 2.067 178.430 176.300 0.104 0.000 0.972 419 D CA 0.842 54.934 54.000 0.154 0.000 0.887 419 D CB 0.101 41.036 40.800 0.225 0.000 0.915 419 D HN 0.188 nan 8.370 nan 0.000 0.497 420 L N 0.772 121.942 121.223 -0.089 0.000 2.044 420 L HA -0.097 4.254 4.340 0.018 0.000 0.205 420 L C 2.105 178.682 176.870 -0.490 0.000 1.075 420 L CA 1.278 55.845 54.840 -0.454 0.000 0.747 420 L CB -0.797 40.943 42.059 -0.532 0.000 0.903 420 L HN -0.038 nan 8.230 nan 0.000 0.435 421 I N 0.750 120.959 120.570 -0.600 0.000 2.252 421 I HA -0.214 3.967 4.170 0.018 0.000 0.245 421 I C 2.771 178.620 176.117 -0.447 0.000 1.102 421 I CA 1.017 61.874 61.300 -0.738 0.000 1.385 421 I CB -0.570 36.612 38.000 -1.363 0.000 1.064 421 I HN 0.299 nan 8.210 nan 0.000 0.414 422 A N 0.465 123.183 122.820 -0.170 0.000 2.076 422 A HA -0.244 4.086 4.320 0.018 0.000 0.220 422 A C 1.720 179.364 177.584 0.100 0.000 1.160 422 A CA 2.196 54.313 52.037 0.133 0.000 0.653 422 A CB -0.542 18.574 19.000 0.193 0.000 0.801 422 A HN 0.377 nan 8.150 nan 0.000 0.455 423 D N -1.186 119.185 120.400 -0.050 0.000 2.201 423 D HA 0.023 4.674 4.640 0.018 0.000 0.209 423 D C 1.738 177.850 176.300 -0.313 0.000 0.961 423 D CA 0.895 54.862 54.000 -0.054 0.000 0.861 423 D CB -0.033 40.845 40.800 0.130 0.000 0.997 423 D HN 0.170 nan 8.370 nan 0.000 0.486 424 V N 0.795 120.371 119.914 -0.563 0.000 3.217 424 V HA -0.069 4.062 4.120 0.018 0.000 0.264 424 V C 1.891 177.678 176.094 -0.512 0.000 1.135 424 V CA 0.963 62.819 62.300 -0.740 0.000 1.142 424 V CB -0.272 31.022 31.823 -0.882 0.000 0.754 424 V HN 0.240 nan 8.190 nan 0.000 0.484 425 M N -1.426 117.889 119.600 -0.474 0.000 2.544 425 M HA 0.175 4.665 4.480 0.018 0.000 0.251 425 M C 1.975 177.830 176.300 -0.741 0.000 1.189 425 M CA 1.838 56.724 55.300 -0.690 0.000 1.218 425 M CB -0.382 31.662 32.600 -0.927 0.000 1.259 425 M HN 0.341 nan 8.290 nan 0.000 0.495 426 F N -0.135 119.760 119.950 -0.092 0.000 2.390 426 F HA 0.320 4.858 4.527 0.018 0.000 0.281 426 F C 2.530 178.286 175.800 -0.073 0.000 1.016 426 F CA 0.508 58.476 58.000 -0.053 0.000 1.286 426 F CB -1.671 37.336 39.000 0.012 0.000 1.134 426 F HN 0.170 nan 8.300 nan 0.000 0.597 427 G N 1.430 110.316 108.800 0.145 0.000 2.863 427 G HA2 -0.306 3.665 3.960 0.018 0.000 0.217 427 G HA3 -0.306 3.665 3.960 0.018 0.000 0.217 427 G C 1.758 176.660 174.900 0.005 0.000 1.315 427 G CA 2.340 47.475 45.100 0.059 0.000 0.796 427 G HN 0.190 nan 8.290 nan 0.000 0.669 428 V N 2.532 122.436 119.914 -0.017 0.000 2.252 428 V HA -0.163 3.968 4.120 0.018 0.000 0.249 428 V C 0.509 176.587 176.094 -0.027 0.000 1.056 428 V CA 2.630 64.927 62.300 -0.005 0.000 1.022 428 V CB -1.402 30.397 31.823 -0.041 0.000 0.641 428 V HN 0.347 nan 8.190 nan 0.000 0.445 429 P HA -0.101 nan 4.420 nan 0.000 0.216 429 P C 1.977 179.241 177.300 -0.060 0.000 1.150 429 P CA 1.818 64.879 63.100 -0.065 0.000 0.837 429 P CB -0.080 31.550 31.700 -0.116 0.000 0.786 430 S N -0.653 115.008 115.700 -0.064 0.000 2.345 430 S HA -0.109 4.372 4.470 0.018 0.000 0.220 430 S C 2.031 176.536 174.600 -0.158 0.000 1.031 430 S CA 1.386 59.521 58.200 -0.107 0.000 0.996 430 S CB -1.359 61.780 63.200 -0.101 0.000 0.882 430 S HN -0.055 nan 8.310 nan 0.000 0.445 431 V N 2.507 122.343 119.914 -0.129 0.000 2.332 431 V HA -0.195 3.936 4.120 0.018 0.000 0.248 431 V C 2.096 178.146 176.094 -0.074 0.000 1.055 431 V CA 1.597 63.814 62.300 -0.139 0.000 1.038 431 V CB -0.827 30.970 31.823 -0.043 0.000 0.651 431 V HN 0.446 nan 8.190 nan 0.000 0.450 432 I N -0.412 120.146 120.570 -0.021 0.000 2.286 432 I HA -0.201 3.980 4.170 0.018 0.000 0.248 432 I C 2.369 178.490 176.117 0.007 0.000 1.115 432 I CA 1.165 62.476 61.300 0.018 0.000 1.392 432 I CB -0.406 37.613 38.000 0.031 0.000 1.065 432 I HN 0.166 nan 8.210 nan 0.000 0.418 433 V N 0.979 120.873 119.914 -0.032 0.000 2.358 433 V HA -0.244 3.887 4.120 0.018 0.000 0.246 433 V C 2.686 178.755 176.094 -0.041 0.000 1.047 433 V CA 1.939 64.231 62.300 -0.014 0.000 1.035 433 V CB -0.772 31.027 31.823 -0.041 0.000 0.658 433 V HN 0.482 nan 8.190 nan 0.000 0.452 434 A N -0.204 122.503 122.820 -0.188 0.000 1.930 434 A HA -0.176 4.154 4.320 0.018 0.000 0.217 434 A C 2.360 179.894 177.584 -0.083 0.000 1.175 434 A CA 1.490 53.341 52.037 -0.311 0.000 0.627 434 A CB -0.410 18.187 19.000 -0.672 0.000 0.815 434 A HN 0.499 nan 8.150 nan 0.000 0.443 435 R N -0.351 120.169 120.500 0.033 0.000 2.090 435 R HA -0.013 4.338 4.340 0.018 0.000 0.228 435 R C 1.777 178.178 176.300 0.169 0.000 1.110 435 R CA 1.304 57.542 56.100 0.231 0.000 0.973 435 R CB -0.338 30.095 30.300 0.221 0.000 0.869 435 R HN 0.621 nan 8.270 nan 0.000 0.440 436 N N -0.297 118.479 118.700 0.127 0.000 2.396 436 N HA -0.147 4.604 4.740 0.018 0.000 0.180 436 N C 1.512 177.107 175.510 0.141 0.000 1.028 436 N CA 0.597 53.716 53.050 0.116 0.000 0.893 436 N CB 0.037 38.582 38.487 0.096 0.000 0.967 436 N HN 0.272 nan 8.380 nan 0.000 0.440 437 H N 1.552 120.681 119.070 0.099 0.000 2.333 437 H HA 0.052 4.618 4.556 0.018 0.000 0.302 437 H C 2.276 177.671 175.328 0.111 0.000 1.075 437 H CA 1.300 57.429 56.048 0.135 0.000 1.348 437 H CB 0.123 30.000 29.762 0.192 0.000 1.393 437 H HN -0.035 nan 8.280 nan 0.000 0.509 438 R N 0.527 121.154 120.500 0.212 0.000 2.091 438 R HA -0.141 4.210 4.340 0.018 0.000 0.238 438 R C 1.062 177.397 176.300 0.059 0.000 1.136 438 R CA 1.994 58.181 56.100 0.145 0.000 0.959 438 R CB -0.206 30.221 30.300 0.212 0.000 0.856 438 R HN 0.445 nan 8.270 nan 0.000 0.437 439 D N 0.321 120.759 120.400 0.064 0.000 2.264 439 D HA -0.105 4.546 4.640 0.018 0.000 0.208 439 D C 1.567 177.865 176.300 -0.003 0.000 0.966 439 D CA 1.196 55.215 54.000 0.032 0.000 0.864 439 D CB -0.019 40.808 40.800 0.044 0.000 0.933 439 D HN 0.419 nan 8.370 nan 0.000 0.499 440 A N 0.105 122.904 122.820 -0.035 0.000 2.066 440 A HA 0.279 4.609 4.320 0.018 0.000 0.218 440 A C 1.861 179.390 177.584 -0.091 0.000 1.157 440 A CA 1.462 53.453 52.037 -0.076 0.000 0.670 440 A CB -0.113 18.799 19.000 -0.147 0.000 0.804 440 A HN 0.292 nan 8.150 nan 0.000 0.453 441 G N -2.838 105.913 108.800 -0.081 0.000 2.138 441 G HA2 0.244 4.215 3.960 0.018 0.000 0.193 441 G HA3 0.244 4.215 3.960 0.018 0.000 0.193 441 G C 0.136 174.990 174.900 -0.076 0.000 0.998 441 G CA 0.136 45.196 45.100 -0.066 0.000 0.668 441 G HN 1.544 nan 8.290 nan 0.000 0.516 442 A N 0.020 122.778 122.820 -0.104 0.000 2.340 442 A HA 0.899 5.230 4.320 0.018 0.000 0.331 442 A C -2.372 175.279 177.584 0.111 0.000 1.140 442 A CA -1.677 50.333 52.037 -0.044 0.000 0.801 442 A CB 1.257 20.166 19.000 -0.152 0.000 1.234 442 A HN 0.050 nan 8.150 nan 0.000 0.469 443 P HA 0.133 nan 4.420 nan 0.000 0.261 443 P C -0.346 177.114 177.300 0.266 0.000 1.173 443 P CA 1.012 64.213 63.100 0.167 0.000 0.760 443 P CB 0.487 32.319 31.700 0.220 0.000 0.783 444 T N 2.970 117.559 114.554 0.058 0.000 2.903 444 T HA 0.602 4.963 4.350 0.018 0.000 0.299 444 T C -1.305 173.242 174.700 -0.254 0.000 1.093 444 T CA -0.261 61.886 62.100 0.078 0.000 1.002 444 T CB 0.947 69.920 68.868 0.175 0.000 1.127 444 T HN 0.102 nan 8.240 nan 0.000 0.488 445 Y N 0.896 121.183 120.300 -0.022 0.000 2.399 445 Y HA 0.525 5.085 4.550 0.018 0.000 0.327 445 Y C -0.198 175.739 175.900 0.061 0.000 1.111 445 Y CA -0.876 57.205 58.100 -0.031 0.000 1.047 445 Y CB 1.694 39.849 38.460 -0.508 0.000 1.259 445 Y HN 0.398 nan 8.280 nan 0.000 0.434 446 M N 3.447 123.314 119.600 0.444 0.000 2.762 446 M HA 0.597 5.088 4.480 0.018 0.000 0.306 446 M C -1.290 175.382 176.300 0.620 0.000 1.223 446 M CA -1.028 54.443 55.300 0.285 0.000 0.896 446 M CB 2.679 35.267 32.600 -0.019 0.000 1.684 446 M HN 0.773 nan 8.290 nan 0.000 0.491 447 Y N -1.463 119.027 120.300 0.316 0.000 2.624 447 Y HA 0.634 5.194 4.550 0.018 0.000 0.334 447 Y C -1.770 174.280 175.900 0.249 0.000 1.155 447 Y CA -1.009 57.252 58.100 0.270 0.000 1.046 447 Y CB 1.460 40.056 38.460 0.226 0.000 1.316 447 Y HN 0.690 nan 8.280 nan 0.000 0.457 448 E N 2.979 123.506 120.200 0.544 0.000 2.265 448 E HA 0.304 4.665 4.350 0.018 0.000 0.262 448 E C -2.173 174.756 176.600 0.548 0.000 0.889 448 E CA -0.822 55.828 56.400 0.416 0.000 0.789 448 E CB 1.393 31.291 29.700 0.330 0.000 1.221 448 E HN 0.609 nan 8.360 nan 0.000 0.414 449 F N 3.487 123.680 119.950 0.405 0.000 2.427 449 F HA 0.221 4.759 4.527 0.019 0.000 0.352 449 F C -0.073 175.863 175.800 0.226 0.000 1.100 449 F CA -0.058 58.128 58.000 0.310 0.000 1.191 449 F CB 0.908 40.106 39.000 0.331 0.000 1.128 449 F HN 0.425 nan 8.300 nan 0.000 0.533 450 Q N 7.209 126.851 119.800 -0.263 0.000 3.075 450 Q HA 0.228 4.579 4.340 0.018 0.000 0.318 450 Q C -1.764 174.047 176.000 -0.315 0.000 0.907 450 Q CA -0.456 55.232 55.803 -0.192 0.000 0.882 450 Q CB 1.488 30.201 28.738 -0.041 0.000 1.386 450 Q HN 0.681 nan 8.270 nan 0.000 0.408 451 Y N 0.201 120.094 120.300 -0.677 0.000 2.521 451 Y HA 0.386 4.947 4.550 0.018 0.000 0.332 451 Y C -1.700 174.068 175.900 -0.219 0.000 1.121 451 Y CA -0.950 56.854 58.100 -0.492 0.000 1.037 451 Y CB 1.729 39.788 38.460 -0.669 0.000 1.330 451 Y HN 0.294 nan 8.280 nan 0.000 0.452 452 R N 7.499 127.470 120.500 -0.882 0.000 2.272 452 R HA 0.465 4.815 4.340 0.018 0.000 0.323 452 R C -2.789 173.077 176.300 -0.723 0.000 1.002 452 R CA -2.008 53.767 56.100 -0.543 0.000 0.900 452 R CB 0.894 30.961 30.300 -0.388 0.000 1.151 452 R HN 0.463 nan 8.270 nan 0.000 0.507 453 P HA -0.041 nan 4.420 nan 0.000 0.269 453 P C 0.006 177.010 177.300 -0.493 0.000 1.217 453 P CA 0.070 63.015 63.100 -0.258 0.000 0.783 453 P CB 1.143 32.793 31.700 -0.083 0.000 0.898 454 S N -0.025 115.237 115.700 -0.730 0.000 2.671 454 S HA 0.100 4.581 4.470 0.018 0.000 0.220 454 S C 0.836 175.039 174.600 -0.662 0.000 0.951 454 S CA -0.233 57.578 58.200 -0.649 0.000 0.932 454 S CB -1.175 61.678 63.200 -0.579 0.000 0.777 454 S HN 0.394 nan 8.310 nan 0.000 0.508 455 F N 1.333 121.072 119.950 -0.350 0.000 2.695 455 F HA 0.364 4.902 4.527 0.018 0.000 0.303 455 F C 1.310 176.907 175.800 -0.339 0.000 1.091 455 F CA -0.717 57.051 58.000 -0.387 0.000 1.300 455 F CB 0.065 38.682 39.000 -0.638 0.000 1.071 455 F HN 0.104 nan 8.300 nan 0.000 0.578 456 S N 0.022 115.601 115.700 -0.202 0.000 2.596 456 S HA 0.166 4.647 4.470 0.018 0.000 0.260 456 S C 0.815 175.337 174.600 -0.129 0.000 1.336 456 S CA -0.591 57.523 58.200 -0.142 0.000 0.993 456 S CB 0.863 63.938 63.200 -0.208 0.000 0.923 456 S HN 0.103 nan 8.310 nan 0.000 0.567 457 S N 0.764 116.380 115.700 -0.140 0.000 2.632 457 S HA 0.073 4.554 4.470 0.018 0.000 0.254 457 S C 0.829 175.311 174.600 -0.197 0.000 1.291 457 S CA -0.514 57.615 58.200 -0.119 0.000 0.974 457 S CB 0.059 63.238 63.200 -0.035 0.000 1.016 457 S HN 0.708 nan 8.310 nan 0.000 0.579 458 D N 0.105 120.422 120.400 -0.139 0.000 2.324 458 D HA 0.096 4.747 4.640 0.018 0.000 0.212 458 D C 1.087 177.282 176.300 -0.176 0.000 0.984 458 D CA 0.683 54.598 54.000 -0.141 0.000 0.885 458 D CB -0.092 40.661 40.800 -0.078 0.000 0.996 458 D HN 0.355 nan 8.370 nan 0.000 0.505 459 M N 0.677 120.187 119.600 -0.150 0.000 2.696 459 M HA 0.023 4.514 4.480 0.018 0.000 0.220 459 M C 0.597 176.653 176.300 -0.407 0.000 1.133 459 M CA 0.444 55.678 55.300 -0.111 0.000 1.016 459 M CB -0.067 32.601 32.600 0.112 0.000 1.740 459 M HN -0.274 nan 8.290 nan 0.000 0.502 460 K N 2.722 122.692 120.400 -0.716 0.000 2.293 460 K HA 0.328 4.659 4.320 0.018 0.000 0.267 460 K C -2.334 173.927 176.600 -0.565 0.000 1.010 460 K CA -1.884 53.711 56.287 -1.154 0.000 0.875 460 K CB 1.220 32.917 32.500 -1.338 0.000 1.106 460 K HN -0.096 nan 8.250 nan 0.000 0.450 461 P HA -0.033 nan 4.420 nan 0.000 0.261 461 P C -0.779 176.408 177.300 -0.188 0.000 1.183 461 P CA 0.145 63.122 63.100 -0.204 0.000 0.761 461 P CB 0.607 32.247 31.700 -0.099 0.000 0.785 462 K N 1.320 121.627 120.400 -0.155 0.000 2.743 462 K HA 0.010 4.341 4.320 0.018 0.000 0.219 462 K C 1.100 177.634 176.600 -0.110 0.000 1.003 462 K CA 0.414 56.614 56.287 -0.146 0.000 1.156 462 K CB -0.302 32.119 32.500 -0.132 0.000 0.932 462 K HN 0.451 nan 8.250 nan 0.000 0.490 463 T N -0.533 113.969 114.554 -0.087 0.000 3.145 463 T HA 0.120 4.481 4.350 0.018 0.000 0.281 463 T C -0.386 174.294 174.700 -0.034 0.000 1.003 463 T CA -0.260 61.809 62.100 -0.052 0.000 0.901 463 T CB 0.365 69.218 68.868 -0.025 0.000 1.112 463 T HN -0.171 nan 8.240 nan 0.000 0.535 464 V N 3.120 123.004 119.914 -0.050 0.000 2.311 464 V HA 0.521 4.652 4.120 0.018 0.000 0.275 464 V C -0.179 175.894 176.094 -0.035 0.000 1.022 464 V CA -0.803 61.492 62.300 -0.008 0.000 0.830 464 V CB 0.930 32.771 31.823 0.030 0.000 1.012 464 V HN 0.389 nan 8.190 nan 0.000 0.452 465 I N 4.387 124.942 120.570 -0.026 0.000 2.328 465 I HA 0.617 4.798 4.170 0.018 0.000 0.287 465 I C 0.986 177.104 176.117 0.002 0.000 1.012 465 I CA -0.107 61.155 61.300 -0.064 0.000 1.195 465 I CB 1.335 39.286 38.000 -0.081 0.000 1.350 465 I HN 0.860 nan 8.210 nan 0.000 0.464 466 G N 3.956 112.776 108.800 0.034 0.000 2.467 466 G HA2 -0.204 3.767 3.960 0.018 0.000 0.242 466 G HA3 -0.204 3.767 3.960 0.018 0.000 0.242 466 G C -0.397 174.635 174.900 0.221 0.000 1.127 466 G CA -0.471 44.722 45.100 0.155 0.000 0.924 466 G HN 0.660 nan 8.290 nan 0.000 0.499 467 D N -0.703 119.839 120.400 0.237 0.000 2.398 467 D HA 0.390 5.041 4.640 0.018 0.000 0.247 467 D C 0.939 177.426 176.300 0.312 0.000 1.227 467 D CA -0.370 53.791 54.000 0.268 0.000 0.980 467 D CB 0.385 41.364 40.800 0.297 0.000 1.106 467 D HN 0.385 nan 8.370 nan 0.000 0.493 468 H N -0.452 118.730 119.070 0.186 0.000 3.070 468 H HA 0.289 4.856 4.556 0.018 0.000 0.313 468 H C 1.387 176.901 175.328 0.310 0.000 0.997 468 H CA 1.696 57.835 56.048 0.151 0.000 1.438 468 H CB 0.092 29.914 29.762 0.100 0.000 1.455 468 H HN 0.595 nan 8.280 nan 0.000 0.575 469 G N 4.400 113.114 108.800 -0.143 0.000 2.189 469 G HA2 -0.370 3.601 3.960 0.018 0.000 0.267 469 G HA3 -0.370 3.601 3.960 0.018 0.000 0.267 469 G C 1.169 176.195 174.900 0.210 0.000 0.975 469 G CA 0.604 45.696 45.100 -0.013 0.000 0.644 469 G HN 0.693 nan 8.290 nan 0.000 0.537 470 D N 0.957 121.587 120.400 0.384 0.000 2.354 470 D HA -0.051 4.600 4.640 0.018 0.000 0.216 470 D C 2.414 179.021 176.300 0.512 0.000 0.970 470 D CA 1.330 55.698 54.000 0.613 0.000 0.905 470 D CB -0.005 41.167 40.800 0.620 0.000 0.903 470 D HN 0.801 nan 8.370 nan 0.000 0.508 471 E N 0.774 120.957 120.200 -0.030 0.000 2.230 471 E HA -0.102 4.259 4.350 0.018 0.000 0.192 471 E C 2.060 178.509 176.600 -0.253 0.000 0.987 471 E CA 0.133 56.136 56.400 -0.660 0.000 0.841 471 E CB -0.698 28.472 29.700 -0.882 0.000 0.783 471 E HN 0.314 nan 8.360 nan 0.000 0.481 472 L N 0.013 121.137 121.223 -0.165 0.000 2.556 472 L HA -0.084 4.267 4.340 0.018 0.000 0.230 472 L C 1.641 178.288 176.870 -0.372 0.000 1.163 472 L CA 0.978 55.638 54.840 -0.299 0.000 0.819 472 L CB -0.575 41.200 42.059 -0.473 0.000 0.939 472 L HN 0.021 nan 8.230 nan 0.000 0.452 473 F N -1.820 118.168 119.950 0.063 0.000 2.656 473 F HA 0.042 4.580 4.527 0.019 0.000 0.291 473 F C 2.266 178.133 175.800 0.111 0.000 1.122 473 F CA 0.208 58.277 58.000 0.114 0.000 1.427 473 F CB 0.085 39.275 39.000 0.317 0.000 1.125 473 F HN -0.115 nan 8.300 nan 0.000 0.583 474 S N -0.762 115.045 115.700 0.178 0.000 2.556 474 S HA 0.081 4.562 4.470 0.018 0.000 0.216 474 S C 1.731 176.245 174.600 -0.144 0.000 0.970 474 S CA 0.156 58.384 58.200 0.047 0.000 0.912 474 S CB 0.341 63.559 63.200 0.030 0.000 0.790 474 S HN 0.096 nan 8.310 nan 0.000 0.504 475 V N -0.166 119.648 119.914 -0.167 0.000 2.922 475 V HA 0.218 4.349 4.120 0.018 0.000 0.242 475 V C 0.644 176.662 176.094 -0.127 0.000 1.094 475 V CA 0.962 63.084 62.300 -0.298 0.000 1.106 475 V CB -0.232 31.395 31.823 -0.326 0.000 0.799 475 V HN 0.428 nan 8.190 nan 0.000 0.474 476 F N 1.225 121.048 119.950 -0.211 0.000 2.660 476 F HA 0.506 5.044 4.527 0.017 0.000 0.297 476 F C 1.642 177.405 175.800 -0.061 0.000 1.132 476 F CA -0.065 57.833 58.000 -0.169 0.000 1.372 476 F CB -0.427 38.427 39.000 -0.244 0.000 1.003 476 F HN 0.217 nan 8.300 nan 0.000 0.524 477 G N 0.862 109.756 108.800 0.157 0.000 2.371 477 G HA2 -0.252 3.719 3.960 0.018 0.000 0.299 477 G HA3 -0.252 3.719 3.960 0.018 0.000 0.299 477 G C 1.285 176.402 174.900 0.362 0.000 1.014 477 G CA 0.362 45.662 45.100 0.334 0.000 1.097 477 G HN 0.606 nan 8.290 nan 0.000 0.512 478 A N 0.331 123.257 122.820 0.178 0.000 1.933 478 A HA 0.130 4.461 4.320 0.018 0.000 0.218 478 A C 0.653 178.174 177.584 -0.104 0.000 1.175 478 A CA 2.015 54.028 52.037 -0.040 0.000 0.628 478 A CB -0.740 18.155 19.000 -0.175 0.000 0.814 478 A HN 0.480 nan 8.150 nan 0.000 0.444 479 P HA -0.124 nan 4.420 nan 0.000 0.224 479 P C 0.259 177.276 177.300 -0.472 0.000 1.142 479 P CA 0.933 63.910 63.100 -0.204 0.000 0.778 479 P CB -0.166 31.286 31.700 -0.413 0.000 0.764 480 F N -2.770 117.241 119.950 0.101 0.000 2.639 480 F HA 0.289 4.827 4.527 0.018 0.000 0.302 480 F C 1.546 177.402 175.800 0.092 0.000 1.097 480 F CA 0.168 58.249 58.000 0.136 0.000 1.294 480 F CB -0.155 38.993 39.000 0.247 0.000 1.027 480 F HN -0.181 nan 8.300 nan 0.000 0.550 481 L N -1.641 119.672 121.223 0.150 0.000 2.885 481 L HA 0.255 4.605 4.340 0.018 0.000 0.251 481 L C 0.759 177.637 176.870 0.013 0.000 1.071 481 L CA 0.092 54.982 54.840 0.084 0.000 0.956 481 L CB 0.337 42.432 42.059 0.060 0.000 1.483 481 L HN -0.212 nan 8.230 nan 0.000 0.525 482 K N 0.786 121.153 120.400 -0.055 0.000 2.177 482 K HA 0.437 4.768 4.320 0.018 0.000 0.238 482 K C -0.564 176.064 176.600 0.046 0.000 1.015 482 K CA -0.556 55.699 56.287 -0.055 0.000 0.922 482 K CB 1.507 33.858 32.500 -0.248 0.000 1.127 482 K HN -0.058 nan 8.250 nan 0.000 0.469 483 E N -1.028 119.225 120.200 0.088 0.000 2.250 483 E HA 0.312 4.673 4.350 0.018 0.000 0.265 483 E C 0.467 177.144 176.600 0.128 0.000 1.033 483 E CA 0.065 56.519 56.400 0.089 0.000 0.888 483 E CB 1.432 31.164 29.700 0.054 0.000 1.151 483 E HN 0.780 nan 8.360 nan 0.000 0.412 484 G N 1.335 110.172 108.800 0.062 0.000 2.454 484 G HA2 -0.378 3.593 3.960 0.018 0.000 0.225 484 G HA3 -0.378 3.593 3.960 0.018 0.000 0.225 484 G C 0.495 175.389 174.900 -0.011 0.000 1.138 484 G CA -0.070 45.041 45.100 0.019 0.000 0.667 484 G HN 1.034 nan 8.290 nan 0.000 0.512 485 A N 0.803 123.648 122.820 0.041 0.000 2.422 485 A HA 0.351 4.682 4.320 0.018 0.000 0.299 485 A C 1.156 178.698 177.584 -0.071 0.000 0.872 485 A CA 1.775 53.802 52.037 -0.017 0.000 1.207 485 A CB -0.470 18.563 19.000 0.056 0.000 0.708 485 A HN 2.346 nan 8.150 nan 0.000 0.356 486 S N 1.618 117.261 115.700 -0.096 0.000 2.592 486 S HA 0.348 4.828 4.470 0.018 0.000 0.271 486 S C 0.964 175.526 174.600 -0.064 0.000 1.326 486 S CA 0.304 58.462 58.200 -0.070 0.000 1.024 486 S CB 1.336 64.497 63.200 -0.065 0.000 0.921 486 S HN 0.855 nan 8.310 nan 0.000 0.527 487 E N 1.012 121.183 120.200 -0.049 0.000 2.130 487 E HA -0.242 4.119 4.350 0.018 0.000 0.196 487 E C 1.745 178.315 176.600 -0.050 0.000 0.998 487 E CA 2.064 58.438 56.400 -0.044 0.000 0.806 487 E CB -0.398 29.286 29.700 -0.027 0.000 0.738 487 E HN 0.853 nan 8.360 nan 0.000 0.459 488 E N -0.051 120.123 120.200 -0.044 0.000 2.051 488 E HA -0.264 4.097 4.350 0.018 0.000 0.192 488 E C 1.949 178.486 176.600 -0.105 0.000 0.991 488 E CA 1.454 57.823 56.400 -0.053 0.000 0.799 488 E CB -0.164 29.530 29.700 -0.011 0.000 0.748 488 E HN 0.453 nan 8.360 nan 0.000 0.449 489 E N 0.071 120.222 120.200 -0.082 0.000 2.268 489 E HA -0.130 4.231 4.350 0.018 0.000 0.195 489 E C 1.923 178.461 176.600 -0.103 0.000 0.995 489 E CA 0.625 56.960 56.400 -0.109 0.000 0.836 489 E CB 0.023 29.714 29.700 -0.015 0.000 0.763 489 E HN 0.333 nan 8.360 nan 0.000 0.491 490 I N -0.093 120.410 120.570 -0.113 0.000 2.339 490 I HA -0.110 4.071 4.170 0.018 0.000 0.245 490 I C 2.730 178.828 176.117 -0.032 0.000 1.096 490 I CA 0.470 61.681 61.300 -0.149 0.000 1.408 490 I CB -0.201 37.703 38.000 -0.160 0.000 1.092 490 I HN 0.062 nan 8.210 nan 0.000 0.423 491 R N 0.624 121.096 120.500 -0.047 0.000 2.120 491 R HA -0.186 4.165 4.340 0.018 0.000 0.234 491 R C 2.268 178.521 176.300 -0.079 0.000 1.123 491 R CA 1.224 57.300 56.100 -0.041 0.000 0.975 491 R CB -0.148 30.122 30.300 -0.050 0.000 0.866 491 R HN 0.206 nan 8.270 nan 0.000 0.446 492 L N 0.166 121.311 121.223 -0.130 0.000 1.988 492 L HA -0.147 4.204 4.340 0.018 0.000 0.207 492 L C 2.306 179.115 176.870 -0.101 0.000 1.071 492 L CA 2.240 56.980 54.840 -0.166 0.000 0.744 492 L CB -1.034 40.823 42.059 -0.337 0.000 0.893 492 L HN 0.051 nan 8.230 nan 0.000 0.433 493 S N -0.696 114.979 115.700 -0.042 0.000 2.365 493 S HA -0.338 4.142 4.470 0.018 0.000 0.225 493 S C 2.256 176.846 174.600 -0.017 0.000 1.039 493 S CA 2.072 60.286 58.200 0.022 0.000 1.033 493 S CB -0.472 62.833 63.200 0.174 0.000 0.887 493 S HN 0.509 nan 8.310 nan 0.000 0.447 494 K N -0.147 120.261 120.400 0.014 0.000 2.152 494 K HA -0.061 4.269 4.320 0.018 0.000 0.206 494 K C 2.273 178.791 176.600 -0.136 0.000 1.048 494 K CA 1.513 57.747 56.287 -0.089 0.000 0.933 494 K CB -0.212 32.272 32.500 -0.027 0.000 0.721 494 K HN 0.532 nan 8.250 nan 0.000 0.447 495 M N 0.049 119.552 119.600 -0.161 0.000 2.193 495 M HA -0.138 4.352 4.480 0.018 0.000 0.265 495 M C 1.700 177.796 176.300 -0.341 0.000 1.071 495 M CA 1.204 56.329 55.300 -0.292 0.000 1.140 495 M CB 0.245 32.671 32.600 -0.290 0.000 1.369 495 M HN -0.045 nan 8.290 nan 0.000 0.423 496 V N 0.831 120.619 119.914 -0.211 0.000 2.270 496 V HA -0.304 3.827 4.120 0.018 0.000 0.245 496 V C 2.361 178.405 176.094 -0.084 0.000 1.043 496 V CA 2.016 64.216 62.300 -0.166 0.000 1.014 496 V CB -0.894 30.668 31.823 -0.434 0.000 0.645 496 V HN 0.543 nan 8.190 nan 0.000 0.447 497 M N -0.683 118.819 119.600 -0.163 0.000 2.260 497 M HA -0.194 4.297 4.480 0.018 0.000 0.261 497 M C 2.309 178.626 176.300 0.030 0.000 1.066 497 M CA 1.600 56.843 55.300 -0.095 0.000 1.082 497 M CB -0.441 32.072 32.600 -0.144 0.000 1.388 497 M HN 0.241 nan 8.290 nan 0.000 0.419 498 K N 0.118 120.517 120.400 -0.001 0.000 2.044 498 K HA 0.002 4.332 4.320 0.018 0.000 0.204 498 K C 1.835 178.578 176.600 0.238 0.000 1.049 498 K CA 1.371 57.684 56.287 0.043 0.000 0.945 498 K CB -0.409 32.044 32.500 -0.079 0.000 0.724 498 K HN 0.359 nan 8.250 nan 0.000 0.440 499 F N -0.381 119.705 119.950 0.227 0.000 2.095 499 F HA -0.267 4.271 4.527 0.018 0.000 0.298 499 F C 2.525 178.516 175.800 0.318 0.000 1.104 499 F CA 0.557 58.748 58.000 0.319 0.000 1.232 499 F CB -0.196 39.157 39.000 0.587 0.000 0.987 499 F HN 0.244 nan 8.300 nan 0.000 0.475 500 W N 0.390 121.812 121.300 0.204 0.000 2.332 500 W HA -0.264 4.406 4.660 0.017 0.000 0.321 500 W C 2.707 179.236 176.519 0.016 0.000 1.219 500 W CA 1.122 58.491 57.345 0.041 0.000 1.277 500 W CB -0.720 28.689 29.460 -0.084 0.000 1.161 500 W HN -0.006 nan 8.180 nan 0.000 0.476 501 A N 0.701 123.654 122.820 0.221 0.000 1.892 501 A HA -0.273 4.057 4.320 0.018 0.000 0.218 501 A C 1.756 179.387 177.584 0.079 0.000 1.188 501 A CA 2.087 54.179 52.037 0.092 0.000 0.631 501 A CB -1.235 17.802 19.000 0.062 0.000 0.822 501 A HN 0.307 nan 8.150 nan 0.000 0.447 502 N N -1.083 117.690 118.700 0.123 0.000 2.094 502 N HA -0.178 4.572 4.740 0.018 0.000 0.191 502 N C 1.454 176.968 175.510 0.008 0.000 1.023 502 N CA 1.692 54.789 53.050 0.079 0.000 0.857 502 N CB -0.593 37.981 38.487 0.145 0.000 1.013 502 N HN 0.548 nan 8.380 nan 0.000 0.426 503 F N 1.615 121.476 119.950 -0.148 0.000 2.102 503 F HA -0.091 4.447 4.527 0.018 0.000 0.298 503 F C 2.232 177.928 175.800 -0.173 0.000 1.105 503 F CA 1.431 59.272 58.000 -0.266 0.000 1.239 503 F CB -0.539 38.213 39.000 -0.413 0.000 0.991 503 F HN 0.035 nan 8.300 nan 0.000 0.474 504 A N 0.400 123.166 122.820 -0.089 0.000 1.978 504 A HA -0.177 4.153 4.320 0.018 0.000 0.220 504 A C 2.335 179.831 177.584 -0.147 0.000 1.170 504 A CA 1.767 53.728 52.037 -0.126 0.000 0.636 504 A CB -0.632 18.341 19.000 -0.045 0.000 0.810 504 A HN 0.477 nan 8.150 nan 0.000 0.448 505 R N -0.854 119.575 120.500 -0.117 0.000 2.052 505 R HA 0.027 4.377 4.340 0.018 0.000 0.224 505 R C 1.202 177.418 176.300 -0.139 0.000 1.165 505 R CA 1.340 57.381 56.100 -0.098 0.000 0.939 505 R CB -0.229 30.040 30.300 -0.052 0.000 0.834 505 R HN 0.438 nan 8.270 nan 0.000 0.435 506 N N -0.773 117.834 118.700 -0.155 0.000 2.280 506 N HA 0.052 4.803 4.740 0.018 0.000 0.192 506 N C 0.606 175.968 175.510 -0.246 0.000 1.109 506 N CA 0.876 53.831 53.050 -0.159 0.000 0.855 506 N CB 1.518 39.945 38.487 -0.100 0.000 0.974 506 N HN 0.478 nan 8.380 nan 0.000 0.482 507 G N 1.356 109.885 108.800 -0.451 0.000 2.162 507 G HA2 -0.267 3.703 3.960 0.018 0.000 0.260 507 G HA3 -0.267 3.703 3.960 0.018 0.000 0.260 507 G C -0.005 174.557 174.900 -0.562 0.000 0.976 507 G CA 0.205 44.866 45.100 -0.732 0.000 0.655 507 G HN 0.453 nan 8.290 nan 0.000 0.533 508 N N -0.131 118.352 118.700 -0.361 0.000 2.352 508 N HA 0.453 5.204 4.740 0.018 0.000 0.291 508 N C -1.318 174.002 175.510 -0.316 0.000 1.040 508 N CA -1.730 51.119 53.050 -0.335 0.000 0.864 508 N CB 2.516 40.895 38.487 -0.180 0.000 1.440 508 N HN -0.038 nan 8.380 nan 0.000 0.483 509 P HA -0.074 nan 4.420 nan 0.000 0.223 509 P C 0.058 177.275 177.300 -0.138 0.000 1.151 509 P CA 0.572 63.414 63.100 -0.431 0.000 0.787 509 P CB 0.412 31.400 31.700 -1.186 0.000 0.788 510 N N 0.427 119.000 118.700 -0.212 0.000 2.340 510 N HA 0.272 5.023 4.740 0.018 0.000 0.236 510 N C 0.941 176.522 175.510 0.117 0.000 1.296 510 N CA 1.269 54.326 53.050 0.012 0.000 0.896 510 N CB 0.575 39.022 38.487 -0.066 0.000 1.127 510 N HN 0.145 nan 8.380 nan 0.000 0.442 511 G N -0.073 108.834 108.800 0.177 0.000 2.325 511 G HA2 0.133 4.104 3.960 0.018 0.000 0.295 511 G HA3 0.133 4.104 3.960 0.018 0.000 0.295 511 G C -1.641 173.343 174.900 0.140 0.000 1.274 511 G CA -0.707 44.477 45.100 0.140 0.000 0.857 511 G HN 0.465 nan 8.290 nan 0.000 0.499 512 E N -0.269 119.992 120.200 0.101 0.000 2.398 512 E HA 0.408 4.769 4.350 0.018 0.000 0.263 512 E C 1.094 177.740 176.600 0.077 0.000 1.046 512 E CA 0.681 57.131 56.400 0.083 0.000 0.908 512 E CB 0.758 30.494 29.700 0.061 0.000 0.963 512 E HN 1.839 nan 8.360 nan 0.000 0.431 513 G N 2.136 110.978 108.800 0.070 0.000 2.283 513 G HA2 -0.285 3.686 3.960 0.018 0.000 0.280 513 G HA3 -0.285 3.686 3.960 0.018 0.000 0.280 513 G C -0.304 174.622 174.900 0.043 0.000 1.029 513 G CA 0.245 45.374 45.100 0.049 0.000 0.840 513 G HN 0.292 nan 8.290 nan 0.000 0.505 514 L N -0.656 120.631 121.223 0.107 0.000 2.431 514 L HA 0.469 4.820 4.340 0.018 0.000 0.266 514 L C -1.890 175.144 176.870 0.274 0.000 0.978 514 L CA -2.321 52.614 54.840 0.157 0.000 0.822 514 L CB 2.236 44.473 42.059 0.297 0.000 1.310 514 L HN -0.106 nan 8.230 nan 0.000 0.409 515 P HA -0.015 nan 4.420 nan 0.000 0.271 515 P C -1.072 176.446 177.300 0.363 0.000 1.233 515 P CA -0.105 63.167 63.100 0.286 0.000 0.795 515 P CB 0.289 32.136 31.700 0.246 0.000 0.936 516 H N 0.080 119.277 119.070 0.211 0.000 2.548 516 H HA 0.283 4.850 4.556 0.018 0.000 0.331 516 H C -1.108 174.370 175.328 0.251 0.000 1.093 516 H CA -0.137 56.040 56.048 0.215 0.000 1.367 516 H CB 0.351 30.209 29.762 0.159 0.000 1.455 516 H HN 0.328 nan 8.280 nan 0.000 0.519 517 W N 9.831 130.876 121.300 -0.425 0.000 2.338 517 W HA 0.312 4.982 4.660 0.018 0.000 0.315 517 W C -2.888 173.576 176.519 -0.092 0.000 1.005 517 W CA -3.242 53.970 57.345 -0.221 0.000 1.380 517 W CB 0.781 29.962 29.460 -0.464 0.000 1.235 517 W HN 0.554 nan 8.180 nan 0.000 0.409 518 P HA 0.029 nan 4.420 nan 0.000 0.272 518 P C -0.294 177.225 177.300 0.366 0.000 1.223 518 P CA 0.174 63.558 63.100 0.475 0.000 0.784 518 P CB 1.351 33.280 31.700 0.382 0.000 0.923 519 E N 1.734 121.967 120.200 0.055 0.000 2.360 519 E HA -0.041 4.319 4.350 0.018 0.000 0.269 519 E C -0.676 175.818 176.600 -0.177 0.000 1.022 519 E CA -0.506 55.560 56.400 -0.556 0.000 0.887 519 E CB 0.140 29.553 29.700 -0.478 0.000 0.990 519 E HN 0.361 nan 8.360 nan 0.000 0.426 520 Y N 6.975 127.106 120.300 -0.281 0.000 2.790 520 Y HA -0.074 4.487 4.550 0.018 0.000 0.348 520 Y C 0.458 176.323 175.900 -0.059 0.000 1.183 520 Y CA -0.063 58.000 58.100 -0.061 0.000 2.002 520 Y CB -0.787 37.657 38.460 -0.028 0.000 2.086 520 Y HN 0.488 nan 8.280 nan 0.000 0.412 521 N N 0.087 118.695 118.700 -0.153 0.000 2.471 521 N HA -0.025 4.726 4.740 0.018 0.000 0.290 521 N C 1.052 176.460 175.510 -0.170 0.000 1.345 521 N CA -0.012 52.968 53.050 -0.116 0.000 0.920 521 N CB -0.004 38.443 38.487 -0.068 0.000 1.093 521 N HN 0.289 nan 8.380 nan 0.000 0.499 522 Q N 0.052 119.792 119.800 -0.101 0.000 2.119 522 Q HA 0.022 4.372 4.340 0.018 0.000 0.201 522 Q C 1.441 177.373 176.000 -0.114 0.000 0.972 522 Q CA 1.465 57.212 55.803 -0.093 0.000 0.847 522 Q CB -0.293 28.416 28.738 -0.047 0.000 0.903 522 Q HN 0.592 nan 8.270 nan 0.000 0.433 523 K N 0.591 120.932 120.400 -0.098 0.000 2.504 523 K HA -0.038 4.293 4.320 0.018 0.000 0.195 523 K C -0.113 176.417 176.600 -0.117 0.000 1.036 523 K CA 0.119 56.362 56.287 -0.073 0.000 0.984 523 K CB 0.122 32.603 32.500 -0.032 0.000 0.788 523 K HN 0.181 nan 8.250 nan 0.000 0.488 524 E N 0.340 120.374 120.200 -0.278 0.000 2.240 524 E HA -0.157 4.204 4.350 0.018 0.000 0.194 524 E C -0.253 176.247 176.600 -0.168 0.000 1.385 524 E CA 0.105 56.184 56.400 -0.534 0.000 0.686 524 E CB -1.380 28.076 29.700 -0.406 0.000 1.125 524 E HN 0.539 nan 8.360 nan 0.000 0.359 525 G N 1.049 109.832 108.800 -0.028 0.000 2.367 525 G HA2 0.535 4.505 3.960 0.018 0.000 0.314 525 G HA3 0.535 4.505 3.960 0.018 0.000 0.314 525 G C -0.508 174.671 174.900 0.464 0.000 1.130 525 G CA -0.336 44.892 45.100 0.212 0.000 0.864 525 G HN 0.309 nan 8.290 nan 0.000 0.486 526 Y N 0.163 120.620 120.300 0.262 0.000 2.669 526 Y HA 0.793 5.353 4.550 0.018 0.000 0.335 526 Y C -1.366 174.614 175.900 0.133 0.000 1.116 526 Y CA -1.805 56.481 58.100 0.310 0.000 1.081 526 Y CB 1.787 40.421 38.460 0.290 0.000 1.297 526 Y HN 0.558 nan 8.280 nan 0.000 0.484 527 L N 1.612 122.824 121.223 -0.018 0.000 2.334 527 L HA 0.495 4.846 4.340 0.018 0.000 0.276 527 L C -0.896 175.911 176.870 -0.104 0.000 1.014 527 L CA -0.565 54.056 54.840 -0.365 0.000 0.815 527 L CB 2.119 43.534 42.059 -1.073 0.000 1.268 527 L HN 0.800 nan 8.230 nan 0.000 0.428 528 Q N 4.565 124.291 119.800 -0.124 0.000 2.563 528 Q HA 0.393 4.744 4.340 0.018 0.000 0.232 528 Q C -1.023 174.995 176.000 0.030 0.000 1.106 528 Q CA -0.643 55.180 55.803 0.033 0.000 0.913 528 Q CB 0.652 29.389 28.738 -0.002 0.000 1.175 528 Q HN 0.511 nan 8.270 nan 0.000 0.540 529 I N 1.466 122.093 120.570 0.095 0.000 2.556 529 I HA 0.416 4.596 4.170 0.018 0.000 0.284 529 I C 0.993 177.124 176.117 0.024 0.000 1.114 529 I CA 0.593 61.957 61.300 0.106 0.000 1.418 529 I CB 0.933 39.085 38.000 0.253 0.000 1.394 529 I HN 0.560 nan 8.210 nan 0.000 0.552 530 G N 3.160 111.934 108.800 -0.043 0.000 0.000 530 G HA2 0.486 4.456 3.960 0.018 0.000 0.000 530 G HA3 0.486 4.456 3.960 0.018 0.000 0.000 530 G C 0.330 175.171 174.900 -0.099 0.000 0.000 530 G CA -0.046 44.981 45.100 -0.121 0.000 0.000 530 G HN 0.631 nan 8.290 nan 0.000 0.000 531 A N -0.475 122.334 122.820 -0.018 0.000 1.873 531 A HA 0.013 4.343 4.320 0.018 0.000 0.218 531 A C 1.098 178.661 177.584 -0.034 0.000 1.193 531 A CA 1.646 53.672 52.037 -0.018 0.000 0.629 531 A CB -0.466 18.576 19.000 0.069 0.000 0.826 531 A HN 0.452 nan 8.150 nan 0.000 0.447 532 N N 0.624 119.315 118.700 -0.014 0.000 2.558 532 N HA 0.266 5.017 4.740 0.018 0.000 0.242 532 N C -1.305 174.200 175.510 -0.009 0.000 0.979 532 N CA 0.032 53.076 53.050 -0.011 0.000 0.931 532 N CB 1.140 39.625 38.487 -0.003 0.000 1.122 532 N HN 0.250 nan 8.380 nan 0.000 0.508 533 T N 2.805 117.355 114.554 -0.006 0.000 2.882 533 T HA 0.349 4.709 4.350 0.018 0.000 0.287 533 T C 0.174 174.881 174.700 0.012 0.000 0.992 533 T CA -0.524 61.579 62.100 0.004 0.000 1.076 533 T CB 1.365 70.247 68.868 0.024 0.000 0.961 533 T HN 0.456 nan 8.240 nan 0.000 0.490 534 Q N 0.763 120.555 119.800 -0.014 0.000 2.578 534 Q HA 0.595 4.946 4.340 0.018 0.000 0.284 534 Q C -1.716 174.236 176.000 -0.080 0.000 0.960 534 Q CA -1.148 54.646 55.803 -0.015 0.000 0.809 534 Q CB 1.362 30.096 28.738 -0.007 0.000 1.462 534 Q HN 0.664 nan 8.270 nan 0.000 0.392 535 A N 0.584 123.369 122.820 -0.059 0.000 2.351 535 A HA 0.850 5.181 4.320 0.018 0.000 0.257 535 A C -0.223 177.245 177.584 -0.194 0.000 1.087 535 A CA 0.522 52.485 52.037 -0.123 0.000 0.798 535 A CB 0.504 19.516 19.000 0.020 0.000 1.033 535 A HN 1.138 nan 8.150 nan 0.000 0.488 536 A N 0.759 123.342 122.820 -0.395 0.000 3.886 536 A HA 0.852 5.183 4.320 0.018 0.000 0.217 536 A C -0.502 176.967 177.584 -0.191 0.000 0.876 536 A CA -0.427 51.395 52.037 -0.359 0.000 0.726 536 A CB 0.827 19.483 19.000 -0.573 0.000 1.479 536 A HN 0.830 nan 8.150 nan 0.000 0.792 537 Q N -1.075 118.770 119.800 0.074 0.000 2.522 537 Q HA 0.399 4.750 4.340 0.018 0.000 0.285 537 Q C -1.632 174.627 176.000 0.433 0.000 0.982 537 Q CA -0.973 55.002 55.803 0.287 0.000 0.805 537 Q CB 1.934 30.746 28.738 0.123 0.000 1.457 537 Q HN 0.603 nan 8.270 nan 0.000 0.394 538 K N 1.387 121.951 120.400 0.273 0.000 4.430 538 K HA -0.223 4.108 4.320 0.018 0.000 0.283 538 K C -0.550 176.117 176.600 0.111 0.000 0.845 538 K CA 0.090 56.471 56.287 0.156 0.000 0.819 538 K CB -0.995 31.562 32.500 0.096 0.000 1.735 538 K HN 0.388 nan 8.250 nan 0.000 0.429 539 L N 2.257 123.420 121.223 -0.100 0.000 2.455 539 L HA 0.038 4.389 4.340 0.018 0.000 0.272 539 L C 0.693 177.472 176.870 -0.151 0.000 1.174 539 L CA 0.458 55.007 54.840 -0.484 0.000 0.869 539 L CB 0.532 41.849 42.059 -1.236 0.000 1.130 539 L HN 0.353 nan 8.230 nan 0.000 0.474 540 K N 2.808 123.162 120.400 -0.076 0.000 2.905 540 K HA -0.307 4.023 4.320 0.018 0.000 0.256 540 K C 1.025 177.657 176.600 0.054 0.000 1.008 540 K CA 1.281 57.576 56.287 0.014 0.000 0.752 540 K CB -1.282 31.228 32.500 0.017 0.000 1.216 540 K HN 0.996 nan 8.250 nan 0.000 0.479 541 D N 0.904 121.334 120.400 0.051 0.000 2.178 541 D HA -0.161 4.490 4.640 0.018 0.000 0.201 541 D C 1.658 178.004 176.300 0.076 0.000 0.980 541 D CA 1.336 55.379 54.000 0.072 0.000 0.842 541 D CB 0.257 41.098 40.800 0.068 0.000 0.948 541 D HN 0.540 nan 8.370 nan 0.000 0.472 542 K N 0.371 120.807 120.400 0.061 0.000 1.984 542 K HA -0.172 4.159 4.320 0.018 0.000 0.209 542 K C 2.097 178.752 176.600 0.092 0.000 1.046 542 K CA 1.389 57.704 56.287 0.047 0.000 0.934 542 K CB 0.084 32.582 32.500 -0.004 0.000 0.717 542 K HN -0.112 nan 8.250 nan 0.000 0.438 543 E N 0.541 120.815 120.200 0.123 0.000 2.085 543 E HA -0.175 4.186 4.350 0.018 0.000 0.194 543 E C 1.949 178.772 176.600 0.373 0.000 0.994 543 E CA 1.346 57.908 56.400 0.271 0.000 0.801 543 E CB -0.306 29.639 29.700 0.408 0.000 0.743 543 E HN 0.099 nan 8.360 nan 0.000 0.453 544 V N 1.202 121.272 119.914 0.261 0.000 2.231 544 V HA -0.352 3.779 4.120 0.018 0.000 0.248 544 V C 2.285 178.489 176.094 0.182 0.000 1.054 544 V CA 2.091 64.520 62.300 0.216 0.000 1.015 544 V CB -1.068 30.838 31.823 0.137 0.000 0.638 544 V HN 0.415 nan 8.190 nan 0.000 0.444 545 A N -0.770 122.135 122.820 0.142 0.000 1.927 545 A HA -0.308 4.023 4.320 0.018 0.000 0.220 545 A C 2.108 179.751 177.584 0.097 0.000 1.185 545 A CA 2.533 54.633 52.037 0.105 0.000 0.639 545 A CB -0.764 18.291 19.000 0.091 0.000 0.820 545 A HN 0.569 nan 8.150 nan 0.000 0.451 546 F N -1.310 118.611 119.950 -0.048 0.000 2.074 546 F HA -0.084 4.454 4.527 0.018 0.000 0.293 546 F C 2.059 177.733 175.800 -0.210 0.000 1.116 546 F CA 1.586 59.488 58.000 -0.164 0.000 1.212 546 F CB -0.722 38.113 39.000 -0.276 0.000 0.998 546 F HN 0.363 nan 8.300 nan 0.000 0.471 547 W N 0.746 121.989 121.300 -0.095 0.000 2.350 547 W HA -0.203 4.468 4.660 0.019 0.000 0.289 547 W C 2.462 178.684 176.519 -0.495 0.000 1.215 547 W CA 1.702 58.797 57.345 -0.417 0.000 1.236 547 W CB -0.914 28.360 29.460 -0.309 0.000 1.130 547 W HN -0.053 nan 8.180 nan 0.000 0.541 548 T N -0.141 114.411 114.554 -0.004 0.000 2.867 548 T HA -0.171 4.189 4.350 0.018 0.000 0.268 548 T C 1.437 176.137 174.700 -0.001 0.000 1.057 548 T CA 1.382 63.511 62.100 0.048 0.000 1.136 548 T CB -0.301 68.611 68.868 0.074 0.000 0.874 548 T HN 0.159 nan 8.240 nan 0.000 0.466 549 N N 1.145 119.762 118.700 -0.139 0.000 2.148 549 N HA 0.049 4.799 4.740 0.018 0.000 0.186 549 N C 1.828 177.220 175.510 -0.198 0.000 1.031 549 N CA 0.577 53.530 53.050 -0.161 0.000 0.848 549 N CB -0.665 37.694 38.487 -0.212 0.000 1.005 549 N HN 0.186 nan 8.380 nan 0.000 0.427 550 L N 1.109 122.062 121.223 -0.451 0.000 2.137 550 L HA -0.071 4.279 4.340 0.018 0.000 0.213 550 L C 1.502 178.409 176.870 0.062 0.000 1.085 550 L CA 1.443 56.072 54.840 -0.353 0.000 0.760 550 L CB -0.836 40.859 42.059 -0.606 0.000 0.893 550 L HN 0.152 nan 8.230 nan 0.000 0.434 551 F N -0.977 118.960 119.950 -0.023 0.000 2.788 551 F HA -0.068 4.470 4.527 0.018 0.000 0.300 551 F C 2.134 177.935 175.800 0.002 0.000 1.229 551 F CA -0.195 57.819 58.000 0.024 0.000 1.446 551 F CB -0.336 38.692 39.000 0.045 0.000 1.118 551 F HN 0.308 nan 8.300 nan 0.000 0.579 552 A N 0.170 123.078 122.820 0.148 0.000 1.858 552 A HA -0.115 4.215 4.320 0.018 0.000 0.216 552 A C 1.411 179.036 177.584 0.068 0.000 1.190 552 A CA 1.029 53.112 52.037 0.077 0.000 0.617 552 A CB -0.163 18.854 19.000 0.028 0.000 0.827 552 A HN 0.327 nan 8.150 nan 0.000 0.443 553 K N 0.000 120.444 120.400 0.073 0.000 2.780 553 K HA 0.000 4.331 4.320 0.018 0.000 0.191 553 K CA 0.000 56.324 56.287 0.062 0.000 0.838 553 K CB 0.000 32.536 32.500 0.060 0.000 1.064 553 K HN 0.000 nan 8.250 nan 0.000 0.543