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_D 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 0.000 174.673 174.600 0.122 0.000 1.055 21 S CA 0.000 58.250 58.200 0.084 0.000 1.107 21 S CB 0.000 63.230 63.200 0.050 0.000 0.593 22 S N 3.969 119.758 115.700 0.148 0.000 2.438 22 S HA 0.704 5.174 4.470 -0.000 0.000 0.293 22 S C -2.807 171.881 174.600 0.146 0.000 1.141 22 S CA -1.240 57.032 58.200 0.120 0.000 1.080 22 S CB 0.351 63.606 63.200 0.092 0.000 0.978 22 S HN 0.298 nan 8.310 nan 0.000 0.479 23 P HA 0.133 nan 4.420 nan 0.000 0.264 23 P C -2.582 174.603 177.300 -0.191 0.000 1.179 23 P CA -0.660 62.367 63.100 -0.121 0.000 0.763 23 P CB -0.282 31.356 31.700 -0.103 0.000 0.806 24 P HA 0.043 nan 4.420 nan 0.000 0.267 24 P C -0.945 176.328 177.300 -0.045 0.000 1.205 24 P CA 0.408 63.319 63.100 -0.315 0.000 0.765 24 P CB 0.421 31.771 31.700 -0.582 0.000 0.828 25 V N 4.857 124.798 119.914 0.044 0.000 2.483 25 V HA 0.365 4.485 4.120 -0.000 0.000 0.297 25 V C 0.152 176.283 176.094 0.063 0.000 1.027 25 V CA -0.619 61.736 62.300 0.091 0.000 0.855 25 V CB 2.000 33.863 31.823 0.066 0.000 0.995 25 V HN 0.210 nan 8.190 nan 0.000 0.424 26 V N 2.552 122.502 119.914 0.059 0.000 2.919 26 V HA 0.564 4.684 4.120 -0.000 0.000 0.316 26 V C -0.788 175.279 176.094 -0.045 0.000 1.077 26 V CA -0.577 61.636 62.300 -0.145 0.000 0.977 26 V CB 2.413 33.872 31.823 -0.606 0.000 1.039 26 V HN 0.908 nan 8.190 nan 0.000 0.441 27 D N 1.926 122.266 120.400 -0.100 0.000 2.414 27 D HA 0.515 5.154 4.640 -0.000 0.000 0.232 27 D C -0.027 176.248 176.300 -0.041 0.000 1.070 27 D CA -0.063 53.921 54.000 -0.027 0.000 0.839 27 D CB 1.444 42.218 40.800 -0.044 0.000 1.079 27 D HN 0.798 nan 8.370 nan 0.000 0.521 28 T N -0.549 114.031 114.554 0.044 0.000 2.948 28 T HA 0.299 4.649 4.350 -0.000 0.000 0.285 28 T C 1.530 176.147 174.700 -0.138 0.000 1.019 28 T CA -0.701 61.408 62.100 0.015 0.000 1.013 28 T CB 1.065 70.096 68.868 0.271 0.000 1.117 28 T HN 0.014 nan 8.240 nan 0.000 0.533 29 V N 1.224 120.984 119.914 -0.257 0.000 2.380 29 V HA -0.185 3.935 4.120 -0.000 0.000 0.251 29 V C 2.343 178.105 176.094 -0.554 0.000 1.063 29 V CA 1.833 63.880 62.300 -0.421 0.000 1.055 29 V CB -1.121 30.360 31.823 -0.570 0.000 0.657 29 V HN 0.877 nan 8.190 nan 0.000 0.455 30 H N -0.474 118.412 119.070 -0.305 0.000 2.539 30 H HA 0.456 5.012 4.556 -0.000 0.000 0.269 30 H C 0.995 175.510 175.328 -1.355 0.000 0.980 30 H CA 0.983 56.624 56.048 -0.678 0.000 1.152 30 H CB 0.619 30.006 29.762 -0.624 0.000 1.407 30 H HN 0.537 nan 8.280 nan 0.000 0.564 31 G N 0.537 108.887 108.800 -0.750 0.000 2.347 31 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.321 31 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.321 31 G C -1.288 173.774 174.900 0.270 0.000 1.412 31 G CA -1.136 43.576 45.100 -0.647 0.000 0.990 31 G HN 0.016 nan 8.290 nan 0.000 0.637 32 K N -0.819 119.847 120.400 0.442 0.000 2.258 32 K HA 0.572 4.892 4.320 -0.000 0.000 0.264 32 K C -0.319 176.612 176.600 0.552 0.000 1.007 32 K CA -0.385 56.145 56.287 0.406 0.000 0.941 32 K CB 1.632 34.297 32.500 0.276 0.000 0.966 32 K HN 0.333 nan 8.250 nan 0.000 0.480 33 V N 3.453 123.592 119.914 0.375 0.000 2.638 33 V HA 0.216 4.336 4.120 -0.000 0.000 0.306 33 V C -0.932 175.348 176.094 0.309 0.000 1.052 33 V CA -0.986 61.525 62.300 0.351 0.000 0.885 33 V CB 1.846 33.939 31.823 0.450 0.000 0.999 33 V HN 0.541 nan 8.190 nan 0.000 0.424 34 L N 4.156 125.501 121.223 0.202 0.000 2.322 34 L HA 0.912 5.252 4.340 -0.000 0.000 0.279 34 L C 0.390 177.264 176.870 0.007 0.000 1.036 34 L CA 0.586 55.482 54.840 0.093 0.000 0.807 34 L CB 1.248 43.320 42.059 0.021 0.000 1.226 34 L HN 0.793 nan 8.230 nan 0.000 0.433 35 G N 4.482 113.150 108.800 -0.220 0.000 3.222 35 G HA2 0.619 4.579 3.960 -0.000 0.000 0.263 35 G HA3 0.619 4.579 3.960 -0.000 0.000 0.263 35 G C -1.407 173.178 174.900 -0.524 0.000 1.312 35 G CA -0.524 44.211 45.100 -0.609 0.000 0.934 35 G HN 0.656 nan 8.290 nan 0.000 0.577 36 K N -1.127 118.914 120.400 -0.597 0.000 2.443 36 K HA 0.657 4.977 4.320 -0.000 0.000 0.251 36 K C -1.787 174.587 176.600 -0.377 0.000 0.972 36 K CA -0.856 55.203 56.287 -0.379 0.000 0.833 36 K CB 2.375 34.742 32.500 -0.220 0.000 1.317 36 K HN 0.335 nan 8.250 nan 0.000 0.441 37 F N 0.869 120.757 119.950 -0.102 0.000 2.450 37 F HA 0.481 5.008 4.527 -0.000 0.000 0.332 37 F C -0.422 175.368 175.800 -0.018 0.000 1.093 37 F CA -0.947 57.023 58.000 -0.051 0.000 1.003 37 F CB 2.266 41.253 39.000 -0.022 0.000 1.151 37 F HN 0.105 nan 8.300 nan 0.000 0.474 38 V N 2.010 122.087 119.914 0.271 0.000 2.841 38 V HA 0.424 4.544 4.120 -0.000 0.000 0.310 38 V C -0.885 175.296 176.094 0.145 0.000 1.090 38 V CA -0.832 61.569 62.300 0.168 0.000 0.930 38 V CB 2.199 34.113 31.823 0.153 0.000 1.014 38 V HN 0.727 nan 8.190 nan 0.000 0.425 39 S N 3.854 119.619 115.700 0.110 0.000 2.472 39 S HA 0.767 5.237 4.470 -0.000 0.000 0.303 39 S C -0.798 173.874 174.600 0.121 0.000 1.099 39 S CA -0.459 57.798 58.200 0.096 0.000 1.077 39 S CB 1.745 64.983 63.200 0.063 0.000 1.031 39 S HN 0.556 nan 8.310 nan 0.000 0.487 40 L N 2.302 123.617 121.223 0.153 0.000 2.325 40 L HA 0.518 4.858 4.340 -0.000 0.000 0.278 40 L C -0.004 177.007 176.870 0.235 0.000 1.023 40 L CA -0.592 54.372 54.840 0.206 0.000 0.811 40 L CB 1.326 43.518 42.059 0.221 0.000 1.249 40 L HN 0.647 nan 8.230 nan 0.000 0.431 41 E N 2.850 123.166 120.200 0.193 0.000 2.463 41 E HA 0.393 4.743 4.350 -0.000 0.000 0.248 41 E C 0.780 177.421 176.600 0.068 0.000 1.106 41 E CA 1.429 57.906 56.400 0.128 0.000 0.946 41 E CB -0.238 29.540 29.700 0.130 0.000 0.971 41 E HN 0.772 nan 8.360 nan 0.000 0.478 42 G N 3.288 112.054 108.800 -0.056 0.000 2.260 42 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.179 42 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.179 42 G C -0.317 174.168 174.900 -0.692 0.000 1.002 42 G CA -0.369 44.511 45.100 -0.366 0.000 0.677 42 G HN 0.377 nan 8.290 nan 0.000 0.486 43 F N -0.040 119.874 119.950 -0.060 0.000 2.563 43 F HA 0.779 5.306 4.527 -0.000 0.000 0.316 43 F C 1.149 176.925 175.800 -0.041 0.000 1.076 43 F CA -0.277 57.684 58.000 -0.064 0.000 0.921 43 F CB 1.862 40.809 39.000 -0.087 0.000 1.209 43 F HN 0.080 nan 8.300 nan 0.000 0.462 44 A N 0.700 123.604 122.820 0.139 0.000 1.844 44 A HA -0.006 4.314 4.320 -0.000 0.000 0.212 44 A C 0.870 178.478 177.584 0.040 0.000 1.221 44 A CA 0.624 52.696 52.037 0.059 0.000 0.607 44 A CB -0.545 18.473 19.000 0.030 0.000 0.878 44 A HN 0.665 nan 8.150 nan 0.000 0.451 45 Q N 1.788 121.616 119.800 0.047 0.000 2.263 45 Q HA 0.231 4.571 4.340 -0.000 0.000 0.270 45 Q C -2.339 173.667 176.000 0.011 0.000 1.104 45 Q CA -2.138 53.668 55.803 0.005 0.000 0.909 45 Q CB 0.292 29.046 28.738 0.027 0.000 1.214 45 Q HN 0.387 nan 8.270 nan 0.000 0.400 46 P HA -0.027 nan 4.420 nan 0.000 0.269 46 P C -0.773 176.611 177.300 0.140 0.000 1.209 46 P CA -0.164 62.945 63.100 0.015 0.000 0.776 46 P CB 0.768 32.407 31.700 -0.100 0.000 0.876 47 V N 2.322 122.336 119.914 0.166 0.000 2.614 47 V HA 0.246 4.366 4.120 -0.000 0.000 0.291 47 V C 1.012 177.288 176.094 0.303 0.000 1.049 47 V CA -0.245 62.181 62.300 0.210 0.000 1.038 47 V CB 0.548 32.476 31.823 0.176 0.000 0.980 47 V HN 0.735 nan 8.190 nan 0.000 0.481 48 A N 7.119 130.128 122.820 0.314 0.000 2.310 48 A HA 0.621 4.941 4.320 -0.000 0.000 0.300 48 A C -0.275 177.366 177.584 0.094 0.000 1.269 48 A CA -0.257 51.890 52.037 0.184 0.000 0.909 48 A CB -0.303 18.902 19.000 0.341 0.000 1.144 48 A HN 0.766 nan 8.150 nan 0.000 0.540 49 I N 2.554 122.998 120.570 -0.209 0.000 2.359 49 I HA 0.393 4.563 4.170 -0.000 0.000 0.294 49 I C -1.083 174.670 176.117 -0.607 0.000 0.987 49 I CA -0.250 60.878 61.300 -0.287 0.000 1.225 49 I CB 1.274 39.163 38.000 -0.184 0.000 1.366 49 I HN 0.530 nan 8.210 nan 0.000 0.466 50 F N 6.664 126.479 119.950 -0.225 0.000 2.477 50 F HA 0.529 5.056 4.527 -0.000 0.000 0.335 50 F C -0.362 175.314 175.800 -0.207 0.000 1.130 50 F CA -0.560 57.355 58.000 -0.142 0.000 0.948 50 F CB 1.266 40.266 39.000 -0.000 0.000 1.154 50 F HN 0.097 nan 8.300 nan 0.000 0.439 51 L N 2.505 123.674 121.223 -0.089 0.000 2.322 51 L HA 0.718 5.058 4.340 -0.000 0.000 0.281 51 L C 0.672 177.493 176.870 -0.082 0.000 1.014 51 L CA -0.982 53.780 54.840 -0.129 0.000 0.815 51 L CB 1.771 43.638 42.059 -0.321 0.000 1.247 51 L HN 0.883 nan 8.230 nan 0.000 0.421 52 G N 3.401 112.179 108.800 -0.037 0.000 2.248 52 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.263 52 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.263 52 G C -0.233 174.743 174.900 0.127 0.000 1.082 52 G CA -0.471 44.604 45.100 -0.043 0.000 0.863 52 G HN 0.482 nan 8.290 nan 0.000 0.495 53 I N 2.224 122.860 120.570 0.110 0.000 2.352 53 I HA 0.244 4.414 4.170 -0.000 0.000 0.290 53 I C -1.530 174.598 176.117 0.019 0.000 1.036 53 I CA -2.175 59.146 61.300 0.036 0.000 1.336 53 I CB 1.412 39.350 38.000 -0.103 0.000 1.407 53 I HN 0.005 nan 8.210 nan 0.000 0.497 54 P HA 0.083 nan 4.420 nan 0.000 0.282 54 P C -0.238 176.863 177.300 -0.333 0.000 1.262 54 P CA -0.148 62.698 63.100 -0.423 0.000 0.773 54 P CB 0.616 32.063 31.700 -0.422 0.000 0.879 55 F N 1.460 121.143 119.950 -0.445 0.000 2.653 55 F HA 0.744 5.271 4.527 -0.000 0.000 0.304 55 F C 0.007 175.723 175.800 -0.141 0.000 1.092 55 F CA -0.931 56.818 58.000 -0.419 0.000 1.279 55 F CB 0.182 38.878 39.000 -0.507 0.000 1.044 55 F HN 0.373 nan 8.300 nan 0.000 0.564 56 A N 0.696 123.129 122.820 -0.646 0.000 2.608 56 A HA 0.447 4.767 4.320 -0.000 0.000 0.292 56 A C -1.151 176.184 177.584 -0.415 0.000 1.066 56 A CA -1.150 50.615 52.037 -0.453 0.000 0.676 56 A CB 0.791 19.466 19.000 -0.543 0.000 1.277 56 A HN 0.227 nan 8.150 nan 0.000 0.413 57 K N 1.157 121.406 120.400 -0.253 0.000 2.448 57 K HA 0.311 4.631 4.320 -0.000 0.000 0.278 57 K C -2.342 174.116 176.600 -0.236 0.000 1.009 57 K CA -1.076 55.091 56.287 -0.199 0.000 0.995 57 K CB 0.201 32.627 32.500 -0.122 0.000 0.917 57 K HN 0.308 nan 8.250 nan 0.000 0.481 58 P HA -0.026 nan 4.420 nan 0.000 0.257 58 P C -2.357 174.848 177.300 -0.159 0.000 1.189 58 P CA -0.813 62.169 63.100 -0.196 0.000 0.780 58 P CB 0.197 31.819 31.700 -0.130 0.000 0.772 59 P HA -0.007 nan 4.420 nan 0.000 0.237 59 P C -0.497 176.718 177.300 -0.143 0.000 1.701 59 P CA 0.569 63.578 63.100 -0.153 0.000 0.955 59 P CB -0.090 31.524 31.700 -0.143 0.000 1.937 60 L N -0.469 120.679 121.223 -0.125 0.000 2.400 60 L HA 0.617 4.957 4.340 -0.000 0.000 0.264 60 L C 1.647 178.447 176.870 -0.116 0.000 1.061 60 L CA -0.336 54.439 54.840 -0.108 0.000 0.799 60 L CB 0.232 42.242 42.059 -0.081 0.000 1.240 60 L HN 0.276 nan 8.230 nan 0.000 0.461 61 G N 1.069 109.806 108.800 -0.105 0.000 2.611 61 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.301 61 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.301 61 G C -1.433 173.383 174.900 -0.140 0.000 1.233 61 G CA 0.244 45.282 45.100 -0.102 0.000 0.993 61 G HN 0.631 nan 8.290 nan 0.000 0.553 62 P HA 0.038 nan 4.420 nan 0.000 0.228 62 P C 1.700 178.911 177.300 -0.149 0.000 1.151 62 P CA 1.053 64.091 63.100 -0.103 0.000 0.770 62 P CB -0.062 31.608 31.700 -0.051 0.000 0.786 63 L N -0.787 120.335 121.223 -0.167 0.000 2.645 63 L HA 0.119 4.459 4.340 -0.000 0.000 0.235 63 L C 1.523 178.209 176.870 -0.307 0.000 1.150 63 L CA -0.243 54.479 54.840 -0.196 0.000 0.911 63 L CB -0.496 41.471 42.059 -0.153 0.000 1.077 63 L HN -0.079 nan 8.230 nan 0.000 0.438 64 R N 0.591 120.840 120.500 -0.418 0.000 2.390 64 R HA 0.154 4.494 4.340 -0.000 0.000 0.291 64 R C -0.395 175.373 176.300 -0.887 0.000 1.070 64 R CA -0.436 55.219 56.100 -0.742 0.000 1.014 64 R CB 0.343 30.033 30.300 -1.016 0.000 1.007 64 R HN 0.034 nan 8.270 nan 0.000 0.466 65 F N 0.815 120.371 119.950 -0.658 0.000 2.807 65 F HA -0.248 4.279 4.527 -0.000 0.000 0.297 65 F C -0.275 174.534 175.800 -1.652 0.000 1.024 65 F CA 1.183 58.358 58.000 -1.376 0.000 1.008 65 F CB -2.590 36.170 39.000 -0.399 0.000 1.142 65 F HN 0.638 nan 8.300 nan 0.000 0.829 66 T N -2.804 110.902 114.554 -1.414 0.000 2.886 66 T HA 0.675 5.025 4.350 -0.000 0.000 0.330 66 T C -3.206 171.292 174.700 -0.336 0.000 1.488 66 T CA -2.045 59.582 62.100 -0.789 0.000 1.054 66 T CB 2.976 71.640 68.868 -0.341 0.000 1.348 66 T HN -0.173 nan 8.240 nan 0.000 0.489 67 P HA 0.234 nan 4.420 nan 0.000 0.267 67 P C -2.395 174.933 177.300 0.047 0.000 1.200 67 P CA -0.727 62.456 63.100 0.137 0.000 0.772 67 P CB -0.230 31.568 31.700 0.163 0.000 0.855 68 P HA 0.060 nan 4.420 nan 0.000 0.271 68 P C -0.757 176.561 177.300 0.030 0.000 1.226 68 P CA 0.212 63.331 63.100 0.032 0.000 0.765 68 P CB 0.670 32.423 31.700 0.088 0.000 0.835 69 Q N 4.155 123.945 119.800 -0.017 0.000 2.222 69 Q HA 0.391 4.731 4.340 -0.000 0.000 0.252 69 Q C -2.241 173.752 176.000 -0.012 0.000 0.926 69 Q CA -2.179 53.622 55.803 -0.003 0.000 0.899 69 Q CB 0.226 28.951 28.738 -0.022 0.000 1.250 69 Q HN 0.358 nan 8.270 nan 0.000 0.441 70 P HA -0.090 nan 4.420 nan 0.000 0.264 70 P C -1.024 176.231 177.300 -0.075 0.000 1.183 70 P CA 0.355 63.471 63.100 0.025 0.000 0.763 70 P CB 0.436 32.193 31.700 0.096 0.000 0.807 71 A N 3.236 125.937 122.820 -0.199 0.000 2.406 71 A HA 0.129 4.449 4.320 -0.000 0.000 0.243 71 A C 0.382 177.861 177.584 -0.175 0.000 1.082 71 A CA -0.253 51.658 52.037 -0.211 0.000 0.786 71 A CB -0.010 18.868 19.000 -0.202 0.000 1.029 71 A HN 0.453 nan 8.150 nan 0.000 0.495 72 E N 2.197 122.379 120.200 -0.030 0.000 2.290 72 E HA 0.241 4.591 4.350 -0.000 0.000 0.277 72 E C -2.202 174.472 176.600 0.123 0.000 1.035 72 E CA -1.556 54.870 56.400 0.043 0.000 0.873 72 E CB 0.442 30.178 29.700 0.060 0.000 1.029 72 E HN 0.435 nan 8.360 nan 0.000 0.419 73 P HA 0.055 nan 4.420 nan 0.000 0.276 73 P C -0.663 176.648 177.300 0.019 0.000 1.235 73 P CA -0.357 62.689 63.100 -0.090 0.000 0.772 73 P CB 0.109 31.750 31.700 -0.097 0.000 0.871 74 W N 1.724 123.079 121.300 0.092 0.000 2.313 74 W HA 0.481 5.141 4.660 -0.000 0.000 0.328 74 W C 0.269 176.800 176.519 0.020 0.000 1.197 74 W CA -0.743 56.642 57.345 0.066 0.000 1.235 74 W CB -0.318 29.205 29.460 0.104 0.000 1.158 74 W HN 0.191 nan 8.180 nan 0.000 0.578 75 S N 2.137 117.915 115.700 0.130 0.000 2.679 75 S HA 0.239 4.709 4.470 -0.000 0.000 0.233 75 S C -0.280 174.095 174.600 -0.375 0.000 0.951 75 S CA -0.176 57.922 58.200 -0.170 0.000 0.973 75 S CB -0.786 62.233 63.200 -0.301 0.000 0.778 75 S HN 0.520 nan 8.310 nan 0.000 0.477 76 F N -1.333 118.766 119.950 0.250 0.000 4.112 76 F HA 0.378 4.905 4.527 -0.000 0.000 0.305 76 F C -0.839 175.130 175.800 0.281 0.000 1.347 76 F CA -1.029 57.093 58.000 0.203 0.000 0.924 76 F CB 0.862 39.948 39.000 0.144 0.000 1.862 76 F HN -0.325 nan 8.300 nan 0.000 0.462 77 V N 1.908 122.109 119.914 0.478 0.000 2.305 77 V HA 0.262 4.382 4.120 -0.000 0.000 0.275 77 V C -0.589 175.612 176.094 0.178 0.000 1.020 77 V CA -0.730 61.756 62.300 0.310 0.000 0.811 77 V CB 1.018 32.958 31.823 0.194 0.000 1.031 77 V HN 0.352 nan 8.190 nan 0.000 0.439 78 K N 4.520 124.974 120.400 0.090 0.000 2.312 78 K HA 0.285 4.605 4.320 -0.000 0.000 0.287 78 K C 0.160 176.710 176.600 -0.084 0.000 1.062 78 K CA -0.310 55.873 56.287 -0.173 0.000 0.934 78 K CB 0.442 32.477 32.500 -0.775 0.000 1.027 78 K HN 0.812 nan 8.250 nan 0.000 0.478 79 N N 2.607 121.265 118.700 -0.069 0.000 2.499 79 N HA 0.288 5.028 4.740 -0.000 0.000 0.281 79 N C -1.017 174.450 175.510 -0.072 0.000 1.098 79 N CA -0.776 52.247 53.050 -0.046 0.000 0.979 79 N CB 1.950 40.403 38.487 -0.056 0.000 1.121 79 N HN 0.454 nan 8.380 nan 0.000 0.466 80 A N 1.028 123.827 122.820 -0.034 0.000 3.056 80 A HA 0.341 4.661 4.320 -0.000 0.000 0.328 80 A C 0.679 178.187 177.584 -0.127 0.000 1.233 80 A CA -0.627 51.381 52.037 -0.048 0.000 0.965 80 A CB -0.752 18.296 19.000 0.079 0.000 1.123 80 A HN 0.826 nan 8.150 nan 0.000 0.502 81 T N -3.123 111.335 114.554 -0.160 0.000 3.044 81 T HA 0.307 4.657 4.350 -0.000 0.000 0.260 81 T C 0.602 175.152 174.700 -0.250 0.000 1.019 81 T CA 0.187 62.162 62.100 -0.208 0.000 0.921 81 T CB 0.105 68.875 68.868 -0.164 0.000 1.053 81 T HN 0.237 nan 8.240 nan 0.000 0.533 82 S N 0.423 115.982 115.700 -0.235 0.000 2.621 82 S HA 0.653 5.123 4.470 -0.000 0.000 0.302 82 S C -1.345 173.086 174.600 -0.282 0.000 1.093 82 S CA -0.669 57.390 58.200 -0.235 0.000 1.017 82 S CB 0.734 63.847 63.200 -0.145 0.000 1.077 82 S HN 0.338 nan 8.310 nan 0.000 0.517 83 Y N 3.206 123.450 120.300 -0.092 0.000 2.359 83 Y HA 0.271 4.821 4.550 -0.000 0.000 0.334 83 Y C -1.600 174.206 175.900 -0.158 0.000 1.058 83 Y CA -1.758 56.287 58.100 -0.092 0.000 1.244 83 Y CB 0.144 38.570 38.460 -0.057 0.000 1.187 83 Y HN 0.396 nan 8.280 nan 0.000 0.510 84 P HA 0.122 nan 4.420 nan 0.000 0.272 84 P C -2.663 174.544 177.300 -0.156 0.000 1.223 84 P CA -1.305 61.621 63.100 -0.289 0.000 0.784 84 P CB 0.741 32.240 31.700 -0.334 0.000 0.923 85 P HA 0.160 nan 4.420 nan 0.000 0.271 85 P C -0.206 177.051 177.300 -0.072 0.000 1.244 85 P CA 0.133 63.161 63.100 -0.121 0.000 0.793 85 P CB 0.217 31.838 31.700 -0.131 0.000 0.984 86 M N -1.091 118.464 119.600 -0.075 0.000 2.436 86 M HA 0.500 4.980 4.480 -0.000 0.000 0.331 86 M C -0.855 175.388 176.300 -0.095 0.000 1.135 86 M CA -0.756 54.504 55.300 -0.066 0.000 0.987 86 M CB 0.844 33.395 32.600 -0.081 0.000 1.687 86 M HN 0.082 nan 8.290 nan 0.000 0.445 87 c N 2.034 120.581 118.600 -0.088 0.000 2.597 87 c HA 0.074 4.644 4.570 -0.000 0.000 0.412 87 c C 1.034 174.978 174.090 -0.243 0.000 1.348 87 c CA 0.029 56.258 56.329 -0.168 0.000 1.769 87 c CB -0.672 41.769 42.510 -0.115 0.000 2.641 87 c HN 0.876 nan 8.230 nan 0.000 0.612 88 T N 4.446 118.713 114.554 -0.479 0.000 2.903 88 T HA 0.238 4.588 4.350 -0.000 0.000 0.299 88 T C -0.003 174.555 174.700 -0.237 0.000 1.041 88 T CA 0.692 62.481 62.100 -0.518 0.000 1.138 88 T CB -0.120 68.080 68.868 -1.114 0.000 1.040 88 T HN 0.899 nan 8.240 nan 0.000 0.524 89 Q N 0.784 120.548 119.800 -0.060 0.000 2.776 89 Q HA 0.275 4.615 4.340 -0.000 0.000 0.289 89 Q C -1.604 174.440 176.000 0.074 0.000 0.912 89 Q CA -1.171 54.684 55.803 0.086 0.000 0.789 89 Q CB 0.658 29.438 28.738 0.070 0.000 1.498 89 Q HN 0.343 nan 8.270 nan 0.000 0.408 90 D N 2.707 123.172 120.400 0.109 0.000 2.518 90 D HA -0.028 4.612 4.640 -0.000 0.000 0.270 90 D C -1.123 175.197 176.300 0.034 0.000 1.338 90 D CA -0.871 53.175 54.000 0.077 0.000 0.983 90 D CB 0.880 41.731 40.800 0.085 0.000 1.126 90 D HN 0.334 nan 8.370 nan 0.000 0.543 91 P HA -0.238 nan 4.420 nan 0.000 0.216 91 P C 1.176 178.469 177.300 -0.012 0.000 1.157 91 P CA 1.201 64.296 63.100 -0.008 0.000 0.880 91 P CB 0.359 32.053 31.700 -0.011 0.000 0.791 92 K N 0.087 120.485 120.400 -0.004 0.000 2.002 92 K HA -0.063 4.257 4.320 -0.000 0.000 0.209 92 K C 2.398 178.990 176.600 -0.014 0.000 1.048 92 K CA 1.694 57.975 56.287 -0.009 0.000 0.930 92 K CB -1.294 31.205 32.500 -0.001 0.000 0.714 92 K HN 0.115 nan 8.250 nan 0.000 0.438 93 A N 1.043 123.862 122.820 -0.000 0.000 1.969 93 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 93 A C 2.440 180.014 177.584 -0.017 0.000 1.169 93 A CA 1.915 53.950 52.037 -0.003 0.000 0.635 93 A CB -0.881 18.136 19.000 0.027 0.000 0.810 93 A HN 0.410 nan 8.150 nan 0.000 0.445 94 G N -0.897 107.896 108.800 -0.013 0.000 2.394 94 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.215 94 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.215 94 G C 1.608 176.470 174.900 -0.063 0.000 1.165 94 G CA 0.970 46.053 45.100 -0.028 0.000 0.784 94 G HN 0.607 nan 8.290 nan 0.000 0.535 95 Q N -0.540 119.223 119.800 -0.061 0.000 2.172 95 Q HA -0.002 4.338 4.340 -0.000 0.000 0.200 95 Q C 2.358 178.304 176.000 -0.090 0.000 0.964 95 Q CA 0.820 56.576 55.803 -0.077 0.000 0.855 95 Q CB -0.166 28.536 28.738 -0.061 0.000 0.918 95 Q HN 0.378 nan 8.270 nan 0.000 0.444 96 L N 0.522 121.697 121.223 -0.080 0.000 1.976 96 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 96 L C 2.143 178.916 176.870 -0.162 0.000 1.071 96 L CA 1.646 56.431 54.840 -0.092 0.000 0.746 96 L CB -0.939 41.079 42.059 -0.069 0.000 0.890 96 L HN 0.396 nan 8.230 nan 0.000 0.432 97 L N -0.703 120.402 121.223 -0.196 0.000 2.079 97 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 97 L C 2.686 179.304 176.870 -0.419 0.000 1.081 97 L CA 2.075 56.690 54.840 -0.376 0.000 0.752 97 L CB -0.815 41.092 42.059 -0.253 0.000 0.896 97 L HN 0.511 nan 8.230 nan 0.000 0.433 98 S N -1.168 114.391 115.700 -0.236 0.000 2.469 98 S HA -0.161 4.309 4.470 -0.000 0.000 0.238 98 S C 1.730 176.207 174.600 -0.206 0.000 0.998 98 S CA 1.351 59.424 58.200 -0.212 0.000 0.957 98 S CB -0.345 62.759 63.200 -0.160 0.000 0.764 98 S HN 0.666 nan 8.310 nan 0.000 0.514 99 E N -0.180 119.913 120.200 -0.179 0.000 2.400 99 E HA 0.147 4.497 4.350 -0.000 0.000 0.195 99 E C 1.516 178.069 176.600 -0.079 0.000 1.012 99 E CA 0.314 56.645 56.400 -0.114 0.000 0.875 99 E CB 0.112 29.767 29.700 -0.075 0.000 0.859 99 E HN 0.505 nan 8.360 nan 0.000 0.498 100 L N -0.573 120.552 121.223 -0.164 0.000 2.463 100 L HA 0.087 4.427 4.340 -0.000 0.000 0.219 100 L C 1.394 178.350 176.870 0.144 0.000 1.088 100 L CA 0.273 55.082 54.840 -0.051 0.000 0.849 100 L CB 0.198 42.148 42.059 -0.181 0.000 1.012 100 L HN 0.063 nan 8.230 nan 0.000 0.468 101 F N -1.070 118.843 119.950 -0.062 0.000 2.602 101 F HA 0.139 4.666 4.527 -0.000 0.000 0.284 101 F C 1.687 177.215 175.800 -0.454 0.000 1.111 101 F CA -0.601 57.235 58.000 -0.274 0.000 1.405 101 F CB -0.887 37.918 39.000 -0.324 0.000 1.121 101 F HN -0.193 nan 8.300 nan 0.000 0.603 102 T N 2.957 117.376 114.554 -0.225 0.000 2.781 102 T HA -0.174 4.176 4.350 -0.000 0.000 0.270 102 T C 0.996 175.571 174.700 -0.210 0.000 1.022 102 T CA 0.546 62.457 62.100 -0.315 0.000 1.144 102 T CB 0.022 68.766 68.868 -0.207 0.000 1.039 102 T HN 0.446 nan 8.240 nan 0.000 0.494 103 N N 3.937 122.473 118.700 -0.273 0.000 2.273 103 N HA 0.085 4.825 4.740 -0.000 0.000 0.231 103 N C 0.056 175.502 175.510 -0.107 0.000 1.134 103 N CA -0.584 52.372 53.050 -0.156 0.000 0.856 103 N CB 0.045 38.441 38.487 -0.152 0.000 1.068 103 N HN 0.777 nan 8.380 nan 0.000 0.510 104 R N -0.136 120.299 120.500 -0.107 0.000 2.828 104 R HA 0.436 4.776 4.340 -0.000 0.000 0.264 104 R C 1.115 177.379 176.300 -0.061 0.000 1.022 104 R CA -0.983 55.081 56.100 -0.060 0.000 1.021 104 R CB 1.215 31.488 30.300 -0.044 0.000 1.163 104 R HN -0.095 nan 8.270 nan 0.000 0.494 105 K N 0.711 121.094 120.400 -0.028 0.000 1.985 105 K HA -0.172 4.148 4.320 -0.000 0.000 0.210 105 K C -0.092 176.495 176.600 -0.022 0.000 1.047 105 K CA 1.469 57.745 56.287 -0.018 0.000 0.932 105 K CB -0.370 32.136 32.500 0.010 0.000 0.716 105 K HN 0.768 nan 8.250 nan 0.000 0.439 106 E N 1.470 121.658 120.200 -0.020 0.000 2.231 106 E HA 0.155 4.505 4.350 -0.000 0.000 0.277 106 E C -0.961 175.603 176.600 -0.060 0.000 0.999 106 E CA -0.928 55.455 56.400 -0.029 0.000 0.827 106 E CB 1.060 30.750 29.700 -0.016 0.000 1.101 106 E HN 0.185 nan 8.360 nan 0.000 0.393 107 N N 2.926 121.584 118.700 -0.070 0.000 2.518 107 N HA 0.132 4.872 4.740 -0.000 0.000 0.283 107 N C -0.753 174.683 175.510 -0.125 0.000 1.119 107 N CA -0.605 52.382 53.050 -0.105 0.000 0.983 107 N CB 0.625 39.056 38.487 -0.094 0.000 1.139 107 N HN 0.430 nan 8.380 nan 0.000 0.465 108 I N 4.447 124.903 120.570 -0.190 0.000 2.321 108 I HA 0.342 4.512 4.170 -0.000 0.000 0.291 108 I C -1.892 174.105 176.117 -0.200 0.000 0.998 108 I CA -2.555 58.604 61.300 -0.236 0.000 1.227 108 I CB 0.509 38.219 38.000 -0.483 0.000 1.368 108 I HN 0.404 nan 8.210 nan 0.000 0.466 109 P HA 0.429 nan 4.420 nan 0.000 0.274 109 P C -1.037 176.199 177.300 -0.107 0.000 1.231 109 P CA -0.354 62.684 63.100 -0.105 0.000 0.790 109 P CB 1.524 33.182 31.700 -0.070 0.000 0.951 110 L N 1.117 122.284 121.223 -0.093 0.000 2.436 110 L HA 0.434 4.774 4.340 -0.000 0.000 0.268 110 L C 0.387 177.215 176.870 -0.070 0.000 0.974 110 L CA -1.206 53.584 54.840 -0.082 0.000 0.826 110 L CB 2.177 44.180 42.059 -0.093 0.000 1.291 110 L HN 0.213 nan 8.230 nan 0.000 0.406 111 K N 1.735 122.096 120.400 -0.065 0.000 2.219 111 K HA 0.517 4.837 4.320 -0.000 0.000 0.258 111 K C -0.981 175.570 176.600 -0.082 0.000 1.008 111 K CA 0.063 56.309 56.287 -0.068 0.000 0.928 111 K CB 0.594 33.055 32.500 -0.065 0.000 0.983 111 K HN 0.342 nan 8.250 nan 0.000 0.484 112 L N 1.513 122.683 121.223 -0.087 0.000 2.296 112 L HA 0.498 4.838 4.340 -0.000 0.000 0.286 112 L C -0.251 176.537 176.870 -0.135 0.000 1.023 112 L CA -0.138 54.633 54.840 -0.116 0.000 0.812 112 L CB 1.701 43.694 42.059 -0.110 0.000 1.223 112 L HN 0.541 nan 8.230 nan 0.000 0.421 113 S N 0.998 116.594 115.700 -0.173 0.000 2.547 113 S HA 0.302 4.772 4.470 -0.000 0.000 0.270 113 S C 0.280 174.731 174.600 -0.248 0.000 1.150 113 S CA -0.622 57.473 58.200 -0.176 0.000 0.850 113 S CB 1.352 64.487 63.200 -0.108 0.000 1.118 113 S HN 0.751 nan 8.310 nan 0.000 0.461 114 E N 0.962 121.003 120.200 -0.265 0.000 2.347 114 E HA -0.049 4.301 4.350 -0.000 0.000 0.196 114 E C -0.406 176.087 176.600 -0.178 0.000 1.008 114 E CA 0.484 56.690 56.400 -0.322 0.000 0.852 114 E CB 0.075 29.636 29.700 -0.231 0.000 0.783 114 E HN 0.511 nan 8.360 nan 0.000 0.505 115 D N 0.423 120.765 120.400 -0.097 0.000 2.468 115 D HA 0.036 4.676 4.640 -0.000 0.000 0.218 115 D C -0.154 176.234 176.300 0.147 0.000 1.155 115 D CA -0.498 53.504 54.000 0.003 0.000 0.924 115 D CB 0.175 41.002 40.800 0.044 0.000 1.029 115 D HN 0.122 nan 8.370 nan 0.000 0.515 116 c N 2.607 121.278 118.600 0.119 0.000 3.596 116 c HA 0.373 4.943 4.570 -0.000 0.000 0.268 116 c C 0.699 174.939 174.090 0.250 0.000 1.912 116 c CA -0.691 55.785 56.329 0.246 0.000 1.721 116 c CB -1.424 41.121 42.510 0.059 0.000 3.328 116 c HN 0.462 nan 8.230 nan 0.000 0.500 117 L N 2.465 123.590 121.223 -0.164 0.000 2.391 117 L HA 0.367 4.707 4.340 -0.000 0.000 0.249 117 L C -0.763 175.666 176.870 -0.735 0.000 1.308 117 L CA 0.537 55.075 54.840 -0.504 0.000 1.209 117 L CB -0.755 40.775 42.059 -0.882 0.000 1.401 117 L HN 0.403 nan 8.230 nan 0.000 0.416 118 Y N 1.321 121.655 120.300 0.056 0.000 2.634 118 Y HA 0.717 5.267 4.550 -0.000 0.000 0.340 118 Y C -0.296 175.756 175.900 0.254 0.000 1.058 118 Y CA -1.513 56.657 58.100 0.116 0.000 1.081 118 Y CB 1.705 40.165 38.460 0.000 0.000 1.295 118 Y HN 0.055 nan 8.280 nan 0.000 0.487 119 L N 0.063 121.445 121.223 0.266 0.000 2.431 119 L HA 0.665 5.005 4.340 -0.000 0.000 0.266 119 L C -1.314 175.582 176.870 0.044 0.000 0.978 119 L CA -1.438 53.463 54.840 0.102 0.000 0.822 119 L CB 1.361 43.360 42.059 -0.100 0.000 1.310 119 L HN 0.388 nan 8.230 nan 0.000 0.409 120 N N 2.988 121.746 118.700 0.096 0.000 2.456 120 N HA 0.674 5.414 4.740 -0.000 0.000 0.288 120 N C -0.833 174.667 175.510 -0.016 0.000 1.059 120 N CA -0.175 52.897 53.050 0.036 0.000 0.946 120 N CB 2.195 40.763 38.487 0.135 0.000 1.150 120 N HN 0.674 nan 8.380 nan 0.000 0.479 121 I N 1.904 122.388 120.570 -0.143 0.000 2.474 121 I HA 0.327 4.497 4.170 -0.000 0.000 0.294 121 I C -0.991 175.013 176.117 -0.188 0.000 1.005 121 I CA -0.820 60.418 61.300 -0.102 0.000 1.113 121 I CB 1.183 39.036 38.000 -0.246 0.000 1.289 121 I HN 0.302 nan 8.210 nan 0.000 0.436 122 Y N 2.899 123.316 120.300 0.196 0.000 2.331 122 Y HA 0.441 4.991 4.550 -0.000 0.000 0.334 122 Y C 0.254 176.270 175.900 0.195 0.000 0.960 122 Y CA -0.699 57.525 58.100 0.206 0.000 1.130 122 Y CB 2.168 40.723 38.460 0.157 0.000 1.164 122 Y HN 0.391 nan 8.280 nan 0.000 0.458 123 T N 4.903 119.670 114.554 0.354 0.000 2.949 123 T HA 0.333 4.683 4.350 -0.000 0.000 0.300 123 T C -2.451 172.389 174.700 0.234 0.000 0.988 123 T CA -2.192 60.080 62.100 0.286 0.000 0.993 123 T CB 1.454 70.521 68.868 0.333 0.000 0.984 123 T HN 0.396 nan 8.240 nan 0.000 0.442 124 P HA 0.286 nan 4.420 nan 0.000 0.257 124 P C 0.388 177.748 177.300 0.100 0.000 1.281 124 P CA -0.158 62.992 63.100 0.084 0.000 0.826 124 P CB 0.021 31.706 31.700 -0.023 0.000 1.237 125 A N 0.664 123.566 122.820 0.136 0.000 2.313 125 A HA 0.231 4.551 4.320 -0.000 0.000 0.261 125 A C 0.048 177.719 177.584 0.144 0.000 1.090 125 A CA -0.192 51.918 52.037 0.122 0.000 0.807 125 A CB -0.177 18.896 19.000 0.122 0.000 1.055 125 A HN -0.056 nan 8.150 nan 0.000 0.492 126 D N 1.329 121.797 120.400 0.114 0.000 2.441 126 D HA 0.270 4.910 4.640 -0.000 0.000 0.221 126 D C 0.898 177.270 176.300 0.120 0.000 1.156 126 D CA -0.104 53.970 54.000 0.123 0.000 0.896 126 D CB -0.018 40.830 40.800 0.080 0.000 1.028 126 D HN 0.407 nan 8.370 nan 0.000 0.509 127 L N 2.620 123.937 121.223 0.157 0.000 2.661 127 L HA -0.140 4.200 4.340 -0.000 0.000 0.236 127 L C 1.996 178.908 176.870 0.070 0.000 1.176 127 L CA 1.286 56.187 54.840 0.102 0.000 0.836 127 L CB -0.631 41.498 42.059 0.116 0.000 0.960 127 L HN 0.471 nan 8.230 nan 0.000 0.455 128 T N -4.330 110.275 114.554 0.086 0.000 3.122 128 T HA 0.169 4.519 4.350 -0.000 0.000 0.250 128 T C 0.578 175.303 174.700 0.041 0.000 1.067 128 T CA -0.225 61.912 62.100 0.062 0.000 0.966 128 T CB 0.195 69.106 68.868 0.072 0.000 1.002 128 T HN 0.198 nan 8.240 nan 0.000 0.542 129 K N 0.333 120.758 120.400 0.041 0.000 2.439 129 K HA 0.464 4.784 4.320 -0.000 0.000 0.260 129 K C -1.103 175.512 176.600 0.024 0.000 1.032 129 K CA -1.105 55.200 56.287 0.030 0.000 0.882 129 K CB 1.918 34.438 32.500 0.033 0.000 1.420 129 K HN -0.067 nan 8.250 nan 0.000 0.455 130 K N 2.191 122.601 120.400 0.018 0.000 2.310 130 K HA 0.149 4.469 4.320 -0.000 0.000 0.290 130 K C -1.012 175.601 176.600 0.022 0.000 1.077 130 K CA -0.041 56.254 56.287 0.014 0.000 0.922 130 K CB 0.215 32.719 32.500 0.007 0.000 1.057 130 K HN 0.438 nan 8.250 nan 0.000 0.479 131 N N 3.444 122.163 118.700 0.030 0.000 2.225 131 N HA 0.361 5.101 4.740 -0.000 0.000 0.298 131 N C -1.058 174.478 175.510 0.043 0.000 1.076 131 N CA -0.704 52.370 53.050 0.040 0.000 0.792 131 N CB 1.727 40.248 38.487 0.057 0.000 1.498 131 N HN 0.469 nan 8.380 nan 0.000 0.474 132 R N 2.109 122.633 120.500 0.039 0.000 2.674 132 R HA 0.342 4.682 4.340 -0.000 0.000 0.270 132 R C -0.358 175.967 176.300 0.042 0.000 1.492 132 R CA -0.308 55.816 56.100 0.040 0.000 1.624 132 R CB 0.372 30.685 30.300 0.023 0.000 1.307 132 R HN 0.491 nan 8.270 nan 0.000 0.683 133 L N 2.359 123.616 121.223 0.056 0.000 2.436 133 L HA 0.367 4.707 4.340 -0.000 0.000 0.265 133 L C -1.548 175.358 176.870 0.059 0.000 1.168 133 L CA -1.760 53.112 54.840 0.054 0.000 0.815 133 L CB 0.030 42.127 42.059 0.064 0.000 1.109 133 L HN -0.065 nan 8.230 nan 0.000 0.462 134 P HA 0.068 nan 4.420 nan 0.000 0.271 134 P C -0.788 176.559 177.300 0.078 0.000 1.233 134 P CA -0.164 62.969 63.100 0.055 0.000 0.789 134 P CB 1.053 32.773 31.700 0.032 0.000 0.951 135 V N 2.423 122.396 119.914 0.098 0.000 2.769 135 V HA 0.459 4.579 4.120 -0.000 0.000 0.312 135 V C 0.377 176.554 176.094 0.139 0.000 1.061 135 V CA -0.530 61.845 62.300 0.124 0.000 0.931 135 V CB 1.635 33.539 31.823 0.135 0.000 1.010 135 V HN 0.487 nan 8.190 nan 0.000 0.433 136 M N 3.933 123.643 119.600 0.183 0.000 2.106 136 M HA 0.461 4.941 4.480 -0.000 0.000 0.288 136 M C -1.296 175.254 176.300 0.418 0.000 0.941 136 M CA -0.526 54.941 55.300 0.278 0.000 0.934 136 M CB 2.032 34.747 32.600 0.192 0.000 1.551 136 M HN 0.362 nan 8.290 nan 0.000 0.437 137 V N 3.267 123.404 119.914 0.372 0.000 2.364 137 V HA 0.264 4.384 4.120 -0.000 0.000 0.272 137 V C -0.529 175.688 176.094 0.206 0.000 1.036 137 V CA -0.492 61.960 62.300 0.253 0.000 0.880 137 V CB 0.877 32.765 31.823 0.108 0.000 0.991 137 V HN 0.856 nan 8.190 nan 0.000 0.460 138 W N 7.052 128.286 121.300 -0.109 0.000 2.338 138 W HA 0.538 5.198 4.660 -0.000 0.000 0.307 138 W C -1.088 175.236 176.519 -0.325 0.000 1.167 138 W CA -0.940 56.080 57.345 -0.542 0.000 1.208 138 W CB 1.127 30.334 29.460 -0.421 0.000 1.228 138 W HN 0.443 nan 8.180 nan 0.000 0.499 139 I N 8.560 128.404 120.570 -1.210 0.000 2.310 139 I HA 0.000 4.170 4.170 -0.000 0.000 0.287 139 I C 1.162 176.422 176.117 -1.429 0.000 1.073 139 I CA -0.632 60.080 61.300 -0.981 0.000 1.216 139 I CB 0.273 37.858 38.000 -0.692 0.000 1.415 139 I HN 0.389 nan 8.210 nan 0.000 0.480 140 H N 5.104 123.572 119.070 -1.003 0.000 2.871 140 H HA 0.232 4.788 4.556 -0.000 0.000 0.355 140 H C 0.084 175.301 175.328 -0.183 0.000 1.092 140 H CA -0.227 55.462 56.048 -0.598 0.000 1.420 140 H CB 0.918 30.674 29.762 -0.010 0.000 1.400 140 H HN 0.587 nan 8.280 nan 0.000 0.604 141 G N -0.373 108.467 108.800 0.066 0.000 2.531 141 G HA2 0.469 4.429 3.960 -0.000 0.000 0.281 141 G HA3 0.469 4.429 3.960 -0.000 0.000 0.281 141 G C 0.292 175.443 174.900 0.418 0.000 1.382 141 G CA -0.705 44.486 45.100 0.151 0.000 1.045 141 G HN 1.217 nan 8.290 nan 0.000 0.533 142 G N -2.740 106.256 108.800 0.328 0.000 2.370 142 G HA2 0.423 4.383 3.960 -0.000 0.000 0.225 142 G HA3 0.423 4.383 3.960 -0.000 0.000 0.225 142 G C 0.976 176.002 174.900 0.209 0.000 1.109 142 G CA 0.644 45.937 45.100 0.321 0.000 0.871 142 G HN 2.265 nan 8.290 nan 0.000 0.498 143 G N -0.011 108.885 108.800 0.161 0.000 2.244 143 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.274 143 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.274 143 G C 1.254 176.156 174.900 0.004 0.000 1.002 143 G CA 0.856 45.996 45.100 0.066 0.000 0.740 143 G HN 1.818 nan 8.290 nan 0.000 0.516 144 L N -3.563 117.700 121.223 0.066 0.000 4.625 144 L HA -0.297 4.043 4.340 -0.000 0.000 0.428 144 L C 2.090 179.060 176.870 0.167 0.000 1.129 144 L CA 1.645 56.537 54.840 0.087 0.000 0.978 144 L CB -1.480 40.337 42.059 -0.403 0.000 2.043 144 L HN 0.438 nan 8.230 nan 0.000 0.847 145 M N -1.332 118.352 119.600 0.140 0.000 2.730 145 M HA 0.283 4.763 4.480 -0.000 0.000 0.258 145 M C 0.954 177.365 176.300 0.185 0.000 1.279 145 M CA 1.364 56.767 55.300 0.171 0.000 1.183 145 M CB 0.385 33.066 32.600 0.135 0.000 1.291 145 M HN 0.278 nan 8.290 nan 0.000 0.518 146 V N -3.146 116.869 119.914 0.169 0.000 3.084 146 V HA 1.037 5.157 4.120 -0.000 0.000 0.311 146 V C -0.069 176.126 176.094 0.169 0.000 1.311 146 V CA -0.222 62.160 62.300 0.136 0.000 1.062 146 V CB 1.030 32.914 31.823 0.102 0.000 1.113 146 V HN 0.535 nan 8.190 nan 0.000 0.468 147 G N -1.119 107.708 108.800 0.045 0.000 2.525 147 G HA2 0.587 4.547 3.960 -0.000 0.000 0.685 147 G HA3 0.587 4.547 3.960 -0.000 0.000 0.685 147 G C -0.476 174.120 174.900 -0.508 0.000 1.290 147 G CA -0.056 44.961 45.100 -0.138 0.000 0.915 147 G HN 2.861 nan 8.290 nan 0.000 0.548 148 A N -2.047 120.227 122.820 -0.910 0.000 2.511 148 A HA 1.047 5.367 4.320 -0.000 0.000 0.293 148 A C 0.678 178.151 177.584 -0.186 0.000 1.098 148 A CA 0.964 52.701 52.037 -0.499 0.000 0.643 148 A CB 0.338 19.237 19.000 -0.169 0.000 1.302 148 A HN 2.563 nan 8.150 nan 0.000 0.446 149 A N -0.447 122.453 122.820 0.133 0.000 1.942 149 A HA 0.297 4.617 4.320 -0.000 0.000 0.209 149 A C 1.840 179.630 177.584 0.343 0.000 1.214 149 A CA 1.808 54.057 52.037 0.354 0.000 0.686 149 A CB -0.833 18.369 19.000 0.337 0.000 0.871 149 A HN 1.350 nan 8.150 nan 0.000 0.460 150 S N 0.214 116.039 115.700 0.208 0.000 2.465 150 S HA -0.137 4.333 4.470 -0.000 0.000 0.241 150 S C 1.742 176.348 174.600 0.009 0.000 1.000 150 S CA 1.641 59.932 58.200 0.153 0.000 0.964 150 S CB -0.538 62.691 63.200 0.048 0.000 0.763 150 S HN 0.614 nan 8.310 nan 0.000 0.512 151 T N 0.775 115.332 114.554 0.006 0.000 2.857 151 T HA 0.003 4.353 4.350 -0.000 0.000 0.266 151 T C -0.111 174.381 174.700 -0.347 0.000 1.048 151 T CA 0.885 62.854 62.100 -0.219 0.000 1.139 151 T CB -0.216 68.448 68.868 -0.339 0.000 0.874 151 T HN 0.411 nan 8.240 nan 0.000 0.455 152 Y N 2.068 122.291 120.300 -0.128 0.000 2.383 152 Y HA 0.426 4.976 4.550 -0.000 0.000 0.344 152 Y C 0.124 175.985 175.900 -0.065 0.000 0.986 152 Y CA -2.057 55.844 58.100 -0.332 0.000 1.175 152 Y CB 0.266 38.292 38.460 -0.723 0.000 1.152 152 Y HN -0.062 nan 8.280 nan 0.000 0.511 153 D N 2.143 122.548 120.400 0.008 0.000 2.277 153 D HA 0.225 4.865 4.640 -0.000 0.000 0.249 153 D C 0.904 177.083 176.300 -0.201 0.000 1.134 153 D CA -0.127 53.849 54.000 -0.038 0.000 0.863 153 D CB 1.645 42.448 40.800 0.004 0.000 1.143 153 D HN 0.832 nan 8.370 nan 0.000 0.458 154 G N 3.079 111.284 108.800 -0.992 0.000 3.088 154 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.217 154 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.217 154 G C 1.344 175.873 174.900 -0.617 0.000 1.159 154 G CA -0.108 44.529 45.100 -0.772 0.000 0.760 154 G HN 0.479 nan 8.290 nan 0.000 0.550 155 L N 1.785 122.683 121.223 -0.541 0.000 1.991 155 L HA -0.102 4.238 4.340 -0.000 0.000 0.221 155 L C 2.831 179.658 176.870 -0.071 0.000 1.079 155 L CA 2.668 57.439 54.840 -0.115 0.000 0.778 155 L CB -0.865 41.214 42.059 0.033 0.000 0.893 155 L HN 0.217 nan 8.230 nan 0.000 0.437 156 A N -0.606 122.195 122.820 -0.032 0.000 1.827 156 A HA -0.227 4.093 4.320 -0.000 0.000 0.215 156 A C 2.216 179.765 177.584 -0.057 0.000 1.212 156 A CA 2.015 54.067 52.037 0.024 0.000 0.624 156 A CB -1.488 17.522 19.000 0.018 0.000 0.853 156 A HN 0.569 nan 8.150 nan 0.000 0.450 157 L N -0.181 120.965 121.223 -0.130 0.000 2.095 157 L HA -0.328 4.012 4.340 -0.000 0.000 0.229 157 L C 2.608 179.409 176.870 -0.116 0.000 1.097 157 L CA 3.035 57.777 54.840 -0.163 0.000 0.813 157 L CB -1.244 40.653 42.059 -0.270 0.000 0.907 157 L HN 0.508 nan 8.230 nan 0.000 0.445 158 A N -0.869 121.886 122.820 -0.109 0.000 1.849 158 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 158 A C 2.448 179.933 177.584 -0.164 0.000 1.202 158 A CA 3.021 55.020 52.037 -0.064 0.000 0.629 158 A CB -1.498 17.515 19.000 0.023 0.000 0.834 158 A HN 0.738 nan 8.150 nan 0.000 0.447 159 A N -1.207 121.433 122.820 -0.301 0.000 1.841 159 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 159 A C 2.087 179.144 177.584 -0.878 0.000 1.199 159 A CA 1.766 53.347 52.037 -0.760 0.000 0.621 159 A CB -1.275 17.094 19.000 -1.052 0.000 0.835 159 A HN 0.699 nan 8.150 nan 0.000 0.445 160 H N -0.579 118.156 119.070 -0.559 0.000 2.319 160 H HA -0.111 4.445 4.556 -0.000 0.000 0.297 160 H C 1.552 176.832 175.328 -0.079 0.000 1.097 160 H CA 1.838 57.789 56.048 -0.162 0.000 1.285 160 H CB 0.072 29.701 29.762 -0.222 0.000 1.368 160 H HN 0.453 nan 8.280 nan 0.000 0.495 161 E N 0.142 120.341 120.200 -0.002 0.000 2.472 161 E HA -0.031 4.319 4.350 -0.000 0.000 0.196 161 E C 0.153 176.750 176.600 -0.006 0.000 1.033 161 E CA -0.161 56.244 56.400 0.008 0.000 0.886 161 E CB -0.149 29.552 29.700 0.001 0.000 0.944 161 E HN 0.460 nan 8.360 nan 0.000 0.492 162 N N 0.339 119.011 118.700 -0.046 0.000 2.726 162 N HA -0.169 4.571 4.740 -0.000 0.000 0.253 162 N C -0.715 174.800 175.510 0.008 0.000 1.059 162 N CA 0.343 53.378 53.050 -0.024 0.000 0.701 162 N CB -0.937 37.553 38.487 0.005 0.000 0.899 162 N HN 0.032 nan 8.380 nan 0.000 0.548 163 V N -2.640 117.281 119.914 0.013 0.000 3.078 163 V HA 0.747 4.867 4.120 -0.000 0.000 0.311 163 V C 0.269 176.409 176.094 0.076 0.000 1.138 163 V CA -0.884 61.441 62.300 0.042 0.000 1.007 163 V CB 2.107 33.947 31.823 0.029 0.000 1.045 163 V HN -0.097 nan 8.190 nan 0.000 0.432 164 V N 2.775 122.754 119.914 0.109 0.000 2.432 164 V HA 0.427 4.547 4.120 -0.000 0.000 0.271 164 V C 0.082 176.281 176.094 0.175 0.000 1.046 164 V CA -0.160 62.233 62.300 0.155 0.000 0.945 164 V CB 1.264 33.182 31.823 0.159 0.000 0.992 164 V HN 0.738 nan 8.190 nan 0.000 0.471 165 V N 6.245 126.296 119.914 0.229 0.000 2.435 165 V HA 0.509 4.629 4.120 -0.000 0.000 0.290 165 V C -0.191 176.117 176.094 0.356 0.000 1.030 165 V CA -0.506 61.956 62.300 0.270 0.000 0.881 165 V CB 1.835 33.775 31.823 0.194 0.000 0.983 165 V HN 0.581 nan 8.190 nan 0.000 0.445 166 V N 3.822 123.928 119.914 0.320 0.000 2.443 166 V HA 0.467 4.587 4.120 -0.000 0.000 0.293 166 V C 0.085 176.361 176.094 0.303 0.000 1.021 166 V CA -0.542 61.918 62.300 0.266 0.000 0.848 166 V CB 2.118 34.036 31.823 0.159 0.000 0.998 166 V HN 0.993 nan 8.190 nan 0.000 0.424 167 T N 3.753 118.518 114.554 0.350 0.000 2.749 167 T HA 0.789 5.139 4.350 -0.000 0.000 0.287 167 T C -0.250 174.603 174.700 0.255 0.000 0.970 167 T CA -0.469 61.871 62.100 0.399 0.000 0.980 167 T CB 1.207 70.388 68.868 0.521 0.000 0.924 167 T HN 0.634 nan 8.240 nan 0.000 0.456 168 I N 0.325 120.996 120.570 0.167 0.000 2.947 168 I HA 0.663 4.833 4.170 -0.000 0.000 0.314 168 I C -0.603 175.668 176.117 0.256 0.000 1.028 168 I CA -1.353 60.005 61.300 0.097 0.000 1.077 168 I CB 1.702 39.633 38.000 -0.116 0.000 1.274 168 I HN 0.517 nan 8.210 nan 0.000 0.485 169 Q N 1.732 121.721 119.800 0.316 0.000 2.356 169 Q HA 0.482 4.822 4.340 -0.000 0.000 0.270 169 Q C -1.842 174.407 176.000 0.415 0.000 1.058 169 Q CA -0.740 55.283 55.803 0.366 0.000 0.802 169 Q CB 2.700 31.618 28.738 0.301 0.000 1.303 169 Q HN 0.689 nan 8.270 nan 0.000 0.444 170 Y N -1.573 118.860 120.300 0.221 0.000 2.633 170 Y HA 0.626 5.176 4.550 -0.000 0.000 0.339 170 Y C -0.506 175.481 175.900 0.145 0.000 1.045 170 Y CA -1.576 56.631 58.100 0.177 0.000 1.098 170 Y CB 0.859 39.369 38.460 0.084 0.000 1.296 170 Y HN 0.372 nan 8.280 nan 0.000 0.494 171 R N 1.521 122.134 120.500 0.187 0.000 2.537 171 R HA 0.404 4.744 4.340 -0.000 0.000 0.280 171 R C -0.930 175.415 176.300 0.074 0.000 1.058 171 R CA 0.040 56.196 56.100 0.094 0.000 1.057 171 R CB 0.205 30.585 30.300 0.133 0.000 0.973 171 R HN 0.676 nan 8.270 nan 0.000 0.438 172 L N 1.485 122.805 121.223 0.162 0.000 2.271 172 L HA 0.543 4.883 4.340 -0.000 0.000 0.265 172 L C 1.272 178.441 176.870 0.498 0.000 1.013 172 L CA -0.611 54.427 54.840 0.330 0.000 0.820 172 L CB 1.319 43.501 42.059 0.206 0.000 1.352 172 L HN 0.873 nan 8.230 nan 0.000 0.443 173 G N 0.416 109.530 108.800 0.524 0.000 2.602 173 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.306 173 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.306 173 G C 0.801 175.952 174.900 0.418 0.000 1.301 173 G CA 0.583 45.954 45.100 0.451 0.000 0.974 173 G HN 0.689 nan 8.290 nan 0.000 0.547 174 I N -0.708 120.024 120.570 0.270 0.000 2.248 174 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 174 I C 2.693 178.932 176.117 0.203 0.000 1.107 174 I CA 2.156 63.534 61.300 0.129 0.000 1.373 174 I CB -0.403 37.460 38.000 -0.229 0.000 1.055 174 I HN 0.507 nan 8.210 nan 0.000 0.418 175 W N 1.040 122.555 121.300 0.358 0.000 2.363 175 W HA -0.042 4.618 4.660 -0.000 0.000 0.296 175 W C 2.331 179.030 176.519 0.300 0.000 1.212 175 W CA 1.470 59.001 57.345 0.311 0.000 1.260 175 W CB -0.661 28.882 29.460 0.138 0.000 1.131 175 W HN 0.236 nan 8.180 nan 0.000 0.530 176 G N -2.670 106.327 108.800 0.327 0.000 3.062 176 G HA2 0.096 4.056 3.960 -0.000 0.000 0.228 176 G HA3 0.096 4.056 3.960 -0.000 0.000 0.228 176 G C 0.519 175.030 174.900 -0.647 0.000 1.094 176 G CA -0.019 45.004 45.100 -0.129 0.000 0.782 176 G HN 0.088 nan 8.290 nan 0.000 0.541 177 F N -0.786 119.335 119.950 0.285 0.000 2.838 177 F HA 0.427 4.954 4.527 -0.000 0.000 0.329 177 F C 0.185 175.971 175.800 -0.025 0.000 1.116 177 F CA -1.749 56.266 58.000 0.026 0.000 1.155 177 F CB 0.214 39.192 39.000 -0.036 0.000 1.106 177 F HN -0.013 nan 8.300 nan 0.000 0.538 178 F N 2.164 122.192 119.950 0.129 0.000 2.578 178 F HA 0.373 4.900 4.527 -0.000 0.000 0.381 178 F C 0.462 176.234 175.800 -0.047 0.000 1.069 178 F CA 0.203 58.191 58.000 -0.019 0.000 1.231 178 F CB 0.475 39.331 39.000 -0.240 0.000 1.086 178 F HN -0.103 nan 8.300 nan 0.000 0.564 179 S N 3.642 118.881 115.700 -0.769 0.000 2.619 179 S HA 0.304 4.774 4.470 -0.000 0.000 0.280 179 S C 0.357 174.675 174.600 -0.470 0.000 1.150 179 S CA -0.100 57.840 58.200 -0.433 0.000 0.978 179 S CB 1.202 64.218 63.200 -0.307 0.000 1.041 179 S HN 0.810 nan 8.310 nan 0.000 0.485 180 T N 0.863 115.312 114.554 -0.174 0.000 3.129 180 T HA 0.363 4.713 4.350 -0.000 0.000 0.251 180 T C 1.259 175.928 174.700 -0.052 0.000 1.117 180 T CA 0.387 62.438 62.100 -0.082 0.000 1.034 180 T CB -0.387 68.547 68.868 0.111 0.000 0.968 180 T HN 1.819 nan 8.240 nan 0.000 0.526 181 G N 2.623 111.375 108.800 -0.079 0.000 2.324 181 G HA2 0.033 3.993 3.960 -0.000 0.000 0.292 181 G HA3 0.033 3.993 3.960 -0.000 0.000 0.292 181 G C -0.459 174.431 174.900 -0.018 0.000 1.079 181 G CA 0.064 45.127 45.100 -0.062 0.000 1.026 181 G HN 1.036 nan 8.290 nan 0.000 0.506 182 D N -2.732 117.666 120.400 -0.003 0.000 3.024 182 D HA 0.153 4.793 4.640 -0.000 0.000 0.354 182 D C 0.974 177.260 176.300 -0.023 0.000 1.431 182 D CA -0.017 53.977 54.000 -0.009 0.000 0.842 182 D CB -0.517 40.296 40.800 0.022 0.000 1.437 182 D HN 0.290 nan 8.370 nan 0.000 0.507 183 E N -0.220 119.906 120.200 -0.124 0.000 2.482 183 E HA -0.137 4.213 4.350 -0.000 0.000 0.196 183 E C 0.424 176.946 176.600 -0.130 0.000 1.047 183 E CA 0.948 57.265 56.400 -0.138 0.000 0.869 183 E CB -0.474 29.112 29.700 -0.190 0.000 0.836 183 E HN 0.504 nan 8.360 nan 0.000 0.520 184 H N 0.491 119.641 119.070 0.134 0.000 2.551 184 H HA 0.189 4.745 4.556 -0.000 0.000 0.266 184 H C 0.280 175.759 175.328 0.252 0.000 0.977 184 H CA 0.858 57.005 56.048 0.164 0.000 1.163 184 H CB 0.607 30.449 29.762 0.133 0.000 1.381 184 H HN 0.127 nan 8.280 nan 0.000 0.581 185 S N -0.022 115.905 115.700 0.380 0.000 2.856 185 S HA 0.112 4.582 4.470 -0.000 0.000 0.140 185 S C 0.917 175.707 174.600 0.316 0.000 0.931 185 S CA -0.571 57.973 58.200 0.574 0.000 0.993 185 S CB -0.111 63.415 63.200 0.544 0.000 1.688 185 S HN 0.182 nan 8.310 nan 0.000 0.529 186 R N 1.302 121.896 120.500 0.157 0.000 2.119 186 R HA 0.073 4.413 4.340 -0.000 0.000 0.246 186 R C 1.555 177.586 176.300 -0.450 0.000 1.146 186 R CA 1.600 57.610 56.100 -0.151 0.000 0.962 186 R CB -0.420 29.797 30.300 -0.139 0.000 0.863 186 R HN 0.938 nan 8.270 nan 0.000 0.442 187 G N -0.607 107.491 108.800 -1.171 0.000 2.428 187 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.202 187 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.202 187 G C -0.441 173.717 174.900 -1.238 0.000 1.247 187 G CA -0.279 44.017 45.100 -1.340 0.000 1.020 187 G HN 0.252 nan 8.290 nan 0.000 0.529 188 N N -0.955 117.431 118.700 -0.524 0.000 2.713 188 N HA -0.237 4.503 4.740 -0.000 0.000 0.251 188 N C 1.340 176.741 175.510 -0.182 0.000 1.117 188 N CA 2.165 55.140 53.050 -0.125 0.000 0.770 188 N CB -1.661 36.831 38.487 0.008 0.000 1.137 188 N HN 0.741 nan 8.380 nan 0.000 0.566 189 W N 0.770 122.029 121.300 -0.069 0.000 2.290 189 W HA -0.230 4.430 4.660 -0.000 0.000 0.318 189 W C 2.552 178.978 176.519 -0.155 0.000 1.248 189 W CA 0.880 58.187 57.345 -0.064 0.000 1.263 189 W CB -0.836 28.614 29.460 -0.017 0.000 1.147 189 W HN 0.301 nan 8.180 nan 0.000 0.494 190 G N -0.197 108.395 108.800 -0.346 0.000 2.446 190 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 190 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 190 G C 1.177 176.043 174.900 -0.057 0.000 1.168 190 G CA 1.461 46.396 45.100 -0.276 0.000 0.771 190 G HN 0.307 nan 8.290 nan 0.000 0.551 191 H N 0.255 119.349 119.070 0.039 0.000 2.421 191 H HA 0.083 4.639 4.556 -0.000 0.000 0.298 191 H C 2.727 178.061 175.328 0.011 0.000 1.087 191 H CA 0.787 56.830 56.048 -0.008 0.000 1.330 191 H CB -0.211 29.568 29.762 0.028 0.000 1.388 191 H HN 0.275 nan 8.280 nan 0.000 0.526 192 L N 0.369 121.704 121.223 0.187 0.000 2.056 192 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 192 L C 2.123 179.106 176.870 0.188 0.000 1.078 192 L CA 1.071 56.022 54.840 0.184 0.000 0.749 192 L CB -0.227 41.976 42.059 0.239 0.000 0.901 192 L HN 0.146 nan 8.230 nan 0.000 0.433 193 D N -0.288 120.241 120.400 0.215 0.000 2.144 193 D HA -0.189 4.451 4.640 -0.000 0.000 0.199 193 D C 2.217 178.654 176.300 0.228 0.000 0.984 193 D CA 1.134 55.323 54.000 0.315 0.000 0.834 193 D CB -0.070 40.954 40.800 0.373 0.000 0.955 193 D HN 0.488 nan 8.370 nan 0.000 0.465 194 Q N 0.484 120.328 119.800 0.074 0.000 1.967 194 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 194 Q C 2.578 178.548 176.000 -0.049 0.000 0.985 194 Q CA 1.008 56.764 55.803 -0.079 0.000 0.839 194 Q CB -0.260 28.372 28.738 -0.177 0.000 0.906 194 Q HN 0.108 nan 8.270 nan 0.000 0.423 195 V N 1.640 121.564 119.914 0.017 0.000 2.250 195 V HA -0.360 3.760 4.120 -0.000 0.000 0.250 195 V C 2.386 178.531 176.094 0.085 0.000 1.060 195 V CA 2.026 64.356 62.300 0.051 0.000 1.030 195 V CB -1.267 30.606 31.823 0.084 0.000 0.643 195 V HN 0.485 nan 8.190 nan 0.000 0.445 196 A N -0.312 122.594 122.820 0.144 0.000 2.032 196 A HA -0.173 4.147 4.320 -0.000 0.000 0.221 196 A C 2.362 180.083 177.584 0.228 0.000 1.165 196 A CA 2.391 54.569 52.037 0.235 0.000 0.645 196 A CB -0.667 18.539 19.000 0.343 0.000 0.807 196 A HN 0.653 nan 8.150 nan 0.000 0.453 197 A N -0.450 122.335 122.820 -0.058 0.000 1.874 197 A HA 0.104 4.424 4.320 -0.000 0.000 0.214 197 A C 2.095 179.651 177.584 -0.047 0.000 1.189 197 A CA 1.179 52.960 52.037 -0.426 0.000 0.615 197 A CB -0.542 17.971 19.000 -0.811 0.000 0.830 197 A HN 0.442 nan 8.150 nan 0.000 0.443 198 L N -0.866 120.348 121.223 -0.014 0.000 2.127 198 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 198 L C 2.818 179.759 176.870 0.118 0.000 1.089 198 L CA 1.003 55.877 54.840 0.056 0.000 0.757 198 L CB -0.434 41.658 42.059 0.055 0.000 0.899 198 L HN 0.274 nan 8.230 nan 0.000 0.434 199 R N -0.764 119.823 120.500 0.145 0.000 2.092 199 R HA -0.198 4.142 4.340 -0.000 0.000 0.231 199 R C 1.930 178.345 176.300 0.192 0.000 1.119 199 R CA 1.369 57.561 56.100 0.154 0.000 0.970 199 R CB -0.713 29.689 30.300 0.170 0.000 0.864 199 R HN 0.474 nan 8.270 nan 0.000 0.440 200 W N 0.728 122.079 121.300 0.085 0.000 2.402 200 W HA -0.153 4.507 4.660 -0.000 0.000 0.286 200 W C 1.788 178.353 176.519 0.077 0.000 1.221 200 W CA 0.942 58.357 57.345 0.117 0.000 1.257 200 W CB 0.061 29.616 29.460 0.157 0.000 1.120 200 W HN -0.212 nan 8.180 nan 0.000 0.551 201 V N 0.413 120.518 119.914 0.318 0.000 2.407 201 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 201 V C 2.295 178.398 176.094 0.014 0.000 1.055 201 V CA 2.184 64.595 62.300 0.185 0.000 1.049 201 V CB -1.112 30.817 31.823 0.178 0.000 0.662 201 V HN 0.256 nan 8.190 nan 0.000 0.455 202 Q N -0.264 119.549 119.800 0.022 0.000 2.124 202 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 202 Q C 1.204 177.163 176.000 -0.068 0.000 0.977 202 Q CA 1.509 57.313 55.803 0.001 0.000 0.850 202 Q CB -0.014 28.740 28.738 0.026 0.000 0.901 202 Q HN 0.657 nan 8.270 nan 0.000 0.429 203 D N -0.828 119.484 120.400 -0.146 0.000 2.368 203 D HA 0.094 4.734 4.640 -0.000 0.000 0.218 203 D C 0.423 176.513 176.300 -0.351 0.000 1.112 203 D CA 0.134 54.008 54.000 -0.209 0.000 0.834 203 D CB 0.354 41.043 40.800 -0.185 0.000 0.953 203 D HN 0.237 nan 8.370 nan 0.000 0.505 204 N N -0.213 118.228 118.700 -0.432 0.000 2.591 204 N HA -0.033 4.707 4.740 -0.000 0.000 0.275 204 N C 1.553 176.956 175.510 -0.177 0.000 0.863 204 N CA -0.305 52.438 53.050 -0.512 0.000 1.019 204 N CB 0.513 38.157 38.487 -1.406 0.000 1.674 204 N HN -0.100 nan 8.380 nan 0.000 1.001 205 I N 3.202 123.691 120.570 -0.135 0.000 2.354 205 I HA -0.310 3.860 4.170 -0.000 0.000 0.258 205 I C 2.153 178.389 176.117 0.199 0.000 1.111 205 I CA 1.260 62.640 61.300 0.132 0.000 1.390 205 I CB -0.435 37.627 38.000 0.104 0.000 1.072 205 I HN 0.274 nan 8.210 nan 0.000 0.441 206 A N -1.210 121.652 122.820 0.070 0.000 1.986 206 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 206 A C 2.396 179.999 177.584 0.032 0.000 1.171 206 A CA 2.248 54.310 52.037 0.042 0.000 0.640 206 A CB -0.985 18.008 19.000 -0.013 0.000 0.811 206 A HN 0.501 nan 8.150 nan 0.000 0.451 207 S N -1.383 114.321 115.700 0.007 0.000 2.555 207 S HA 0.081 4.551 4.470 -0.000 0.000 0.230 207 S C 0.338 174.716 174.600 -0.370 0.000 0.978 207 S CA 0.472 58.560 58.200 -0.187 0.000 0.934 207 S CB -0.326 62.688 63.200 -0.310 0.000 0.766 207 S HN 0.547 nan 8.310 nan 0.000 0.533 208 F N 0.838 120.763 119.950 -0.040 0.000 2.772 208 F HA 0.390 4.917 4.527 -0.000 0.000 0.302 208 F C 1.467 177.289 175.800 0.036 0.000 1.136 208 F CA -0.532 57.455 58.000 -0.022 0.000 1.322 208 F CB -0.025 38.944 39.000 -0.052 0.000 0.967 208 F HN 0.165 nan 8.300 nan 0.000 0.513 209 G N 0.616 109.497 108.800 0.135 0.000 2.179 209 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.257 209 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.257 209 G C 0.483 175.456 174.900 0.123 0.000 1.010 209 G CA 0.022 45.190 45.100 0.115 0.000 0.736 209 G HN 0.804 nan 8.290 nan 0.000 0.513 210 G N -0.706 108.178 108.800 0.139 0.000 2.416 210 G HA2 0.529 4.489 3.960 -0.000 0.000 0.329 210 G HA3 0.529 4.489 3.960 -0.000 0.000 0.329 210 G C -0.491 174.462 174.900 0.088 0.000 1.173 210 G CA -0.345 44.827 45.100 0.121 0.000 0.929 210 G HN 0.478 nan 8.290 nan 0.000 0.475 211 N N 2.308 121.052 118.700 0.075 0.000 2.420 211 N HA 0.283 5.023 4.740 -0.000 0.000 0.249 211 N C -1.055 174.500 175.510 0.075 0.000 1.033 211 N CA -2.451 50.632 53.050 0.055 0.000 0.944 211 N CB 1.876 40.383 38.487 0.034 0.000 1.113 211 N HN 0.150 nan 8.380 nan 0.000 0.502 212 P HA 0.010 nan 4.420 nan 0.000 0.236 212 P C 0.559 177.966 177.300 0.178 0.000 1.172 212 P CA 0.596 63.758 63.100 0.103 0.000 0.759 212 P CB 0.053 31.788 31.700 0.057 0.000 0.843 213 G N -0.953 107.898 108.800 0.085 0.000 3.523 213 G HA2 0.148 4.108 3.960 -0.000 0.000 0.270 213 G HA3 0.148 4.108 3.960 -0.000 0.000 0.270 213 G C 0.530 175.307 174.900 -0.204 0.000 1.134 213 G CA 0.021 45.070 45.100 -0.085 0.000 0.825 213 G HN 0.282 nan 8.290 nan 0.000 0.534 214 S N -0.184 115.637 115.700 0.203 0.000 3.022 214 S HA 0.158 4.628 4.470 -0.000 0.000 0.247 214 S C -0.063 174.706 174.600 0.281 0.000 0.845 214 S CA -0.260 58.085 58.200 0.242 0.000 1.104 214 S CB 0.115 63.350 63.200 0.059 0.000 1.228 214 S HN -0.041 nan 8.310 nan 0.000 0.532 215 V N 3.258 123.372 119.914 0.333 0.000 2.403 215 V HA 0.253 4.373 4.120 -0.000 0.000 0.265 215 V C 0.441 176.611 176.094 0.126 0.000 1.034 215 V CA 0.506 62.896 62.300 0.150 0.000 1.036 215 V CB 0.542 32.413 31.823 0.080 0.000 1.032 215 V HN 0.471 nan 8.190 nan 0.000 0.478 216 T N 7.392 122.028 114.554 0.136 0.000 2.744 216 T HA 0.547 4.897 4.350 -0.000 0.000 0.291 216 T C 0.041 174.859 174.700 0.196 0.000 0.957 216 T CA -0.131 62.052 62.100 0.137 0.000 1.002 216 T CB 0.620 69.535 68.868 0.079 0.000 0.919 216 T HN 0.622 nan 8.240 nan 0.000 0.468 217 I N 1.612 122.262 120.570 0.132 0.000 2.566 217 I HA 0.922 5.092 4.170 -0.000 0.000 0.303 217 I C -0.856 175.429 176.117 0.280 0.000 0.983 217 I CA -1.077 60.299 61.300 0.126 0.000 1.235 217 I CB 1.351 39.234 38.000 -0.195 0.000 1.386 217 I HN 0.555 nan 8.210 nan 0.000 0.494 218 F N 2.259 122.198 119.950 -0.017 0.000 2.693 218 F HA 0.972 5.499 4.527 -0.000 0.000 0.309 218 F C -0.601 175.127 175.800 -0.119 0.000 1.129 218 F CA -0.773 57.248 58.000 0.035 0.000 0.948 218 F CB 1.108 40.230 39.000 0.204 0.000 1.315 218 F HN 0.878 nan 8.300 nan 0.000 0.447 219 G N 0.467 109.116 108.800 -0.251 0.000 2.559 219 G HA2 0.503 4.463 3.960 -0.000 0.000 0.291 219 G HA3 0.503 4.463 3.960 -0.000 0.000 0.291 219 G C -2.597 172.144 174.900 -0.264 0.000 1.424 219 G CA -0.753 43.830 45.100 -0.861 0.000 0.786 219 G HN 0.939 nan 8.290 nan 0.000 0.485 220 E N 0.274 120.299 120.200 -0.292 0.000 2.266 220 E HA 0.662 5.011 4.350 -0.000 0.000 0.268 220 E C 0.552 177.147 176.600 -0.008 0.000 0.879 220 E CA 0.253 56.671 56.400 0.029 0.000 0.762 220 E CB 1.979 31.802 29.700 0.205 0.000 1.199 220 E HN 0.752 nan 8.360 nan 0.000 0.422 221 S N 2.087 117.841 115.700 0.091 0.000 4.059 221 S HA -0.365 4.105 4.470 -0.000 0.000 0.624 221 S C 1.415 176.075 174.600 0.099 0.000 2.019 221 S CA 1.811 60.135 58.200 0.207 0.000 4.197 221 S CB -1.625 61.755 63.200 0.301 0.000 0.215 221 S HN 1.013 nan 8.310 nan 0.000 0.609 222 A N 0.703 123.580 122.820 0.096 0.000 1.986 222 A HA 0.050 4.370 4.320 -0.000 0.000 0.220 222 A C 2.274 179.822 177.584 -0.061 0.000 1.171 222 A CA 2.605 54.653 52.037 0.018 0.000 0.640 222 A CB -1.371 17.663 19.000 0.057 0.000 0.811 222 A HN 1.438 nan 8.150 nan 0.000 0.451 223 G N -1.101 107.621 108.800 -0.130 0.000 2.464 223 G HA2 0.158 4.118 3.960 -0.000 0.000 0.217 223 G HA3 0.158 4.118 3.960 -0.000 0.000 0.217 223 G C 1.403 176.138 174.900 -0.275 0.000 1.138 223 G CA 1.069 45.977 45.100 -0.319 0.000 0.793 223 G HN 0.667 nan 8.290 nan 0.000 0.539 224 G N 0.328 109.038 108.800 -0.149 0.000 2.403 224 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.216 224 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.216 224 G C 1.514 176.386 174.900 -0.047 0.000 1.154 224 G CA 1.031 46.094 45.100 -0.061 0.000 0.784 224 G HN 0.425 nan 8.290 nan 0.000 0.538 225 E N 0.998 121.166 120.200 -0.053 0.000 2.047 225 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 225 E C 2.630 179.174 176.600 -0.094 0.000 0.987 225 E CA 1.181 57.542 56.400 -0.065 0.000 0.799 225 E CB -0.254 29.404 29.700 -0.070 0.000 0.752 225 E HN 0.319 nan 8.360 nan 0.000 0.449 226 S N 0.619 116.268 115.700 -0.085 0.000 2.369 226 S HA -0.196 4.274 4.470 -0.000 0.000 0.225 226 S C 2.195 176.663 174.600 -0.220 0.000 1.043 226 S CA 1.643 59.789 58.200 -0.090 0.000 1.074 226 S CB -0.648 62.448 63.200 -0.174 0.000 0.962 226 S HN 0.181 nan 8.310 nan 0.000 0.433 227 V N 1.309 121.085 119.914 -0.230 0.000 2.313 227 V HA -0.241 3.879 4.120 -0.000 0.000 0.253 227 V C 2.573 178.511 176.094 -0.260 0.000 1.070 227 V CA 2.219 64.360 62.300 -0.265 0.000 1.057 227 V CB -0.928 30.796 31.823 -0.165 0.000 0.653 227 V HN 0.549 nan 8.190 nan 0.000 0.450 228 S N -0.680 114.934 115.700 -0.144 0.000 2.383 228 S HA -0.125 4.345 4.470 -0.000 0.000 0.227 228 S C 1.872 176.363 174.600 -0.182 0.000 1.026 228 S CA 1.503 59.635 58.200 -0.114 0.000 0.981 228 S CB -0.143 63.064 63.200 0.012 0.000 0.818 228 S HN 0.410 nan 8.310 nan 0.000 0.472 229 V N 2.152 121.921 119.914 -0.242 0.000 2.594 229 V HA -0.085 4.035 4.120 -0.000 0.000 0.253 229 V C 2.124 178.055 176.094 -0.273 0.000 1.069 229 V CA 1.268 63.376 62.300 -0.319 0.000 1.082 229 V CB -0.762 30.692 31.823 -0.614 0.000 0.680 229 V HN 0.469 nan 8.190 nan 0.000 0.469 230 L N -0.333 120.727 121.223 -0.272 0.000 2.313 230 L HA -0.011 4.329 4.340 -0.000 0.000 0.214 230 L C 2.134 178.984 176.870 -0.033 0.000 1.119 230 L CA 0.593 55.310 54.840 -0.205 0.000 0.809 230 L CB -0.295 41.526 42.059 -0.396 0.000 0.933 230 L HN 0.241 nan 8.230 nan 0.000 0.449 231 V N -0.382 119.480 119.914 -0.087 0.000 3.461 231 V HA -0.081 4.039 4.120 -0.000 0.000 0.267 231 V C 1.651 177.819 176.094 0.123 0.000 1.186 231 V CA 0.869 63.234 62.300 0.107 0.000 1.154 231 V CB -0.038 31.700 31.823 -0.142 0.000 0.802 231 V HN 0.378 nan 8.190 nan 0.000 0.474 232 L N -0.567 120.640 121.223 -0.028 0.000 3.014 232 L HA 0.344 4.684 4.340 -0.000 0.000 0.263 232 L C 0.571 177.355 176.870 -0.143 0.000 1.207 232 L CA 0.263 55.002 54.840 -0.167 0.000 1.017 232 L CB 0.749 42.703 42.059 -0.175 0.000 1.360 232 L HN 0.214 nan 8.230 nan 0.000 0.560 233 S N -0.165 115.544 115.700 0.014 0.000 2.473 233 S HA 0.435 4.905 4.470 -0.000 0.000 0.307 233 S C -1.908 172.800 174.600 0.181 0.000 1.094 233 S CA -1.282 56.944 58.200 0.043 0.000 1.070 233 S CB 1.710 64.915 63.200 0.009 0.000 1.019 233 S HN -0.121 nan 8.310 nan 0.000 0.480 234 P HA 0.026 nan 4.420 nan 0.000 0.221 234 P C 1.175 178.558 177.300 0.138 0.000 1.150 234 P CA 0.712 63.932 63.100 0.200 0.000 0.800 234 P CB 0.109 31.888 31.700 0.133 0.000 0.787 235 L N -1.075 120.213 121.223 0.108 0.000 2.093 235 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 235 L C 2.179 179.116 176.870 0.111 0.000 1.085 235 L CA 1.463 56.359 54.840 0.095 0.000 0.755 235 L CB -1.010 41.098 42.059 0.081 0.000 0.904 235 L HN -0.052 nan 8.230 nan 0.000 0.435 236 A N -0.335 122.575 122.820 0.151 0.000 2.251 236 A HA -0.029 4.291 4.320 -0.000 0.000 0.209 236 A C 1.061 178.743 177.584 0.164 0.000 1.187 236 A CA -0.171 51.996 52.037 0.217 0.000 0.823 236 A CB -0.315 18.875 19.000 0.317 0.000 0.846 236 A HN 0.211 nan 8.150 nan 0.000 0.486 237 K N 1.260 121.711 120.400 0.086 0.000 2.472 237 K HA -0.025 4.295 4.320 -0.000 0.000 0.280 237 K C -0.361 176.205 176.600 -0.056 0.000 1.028 237 K CA 0.321 56.584 56.287 -0.040 0.000 1.045 237 K CB -0.054 32.446 32.500 -0.001 0.000 0.902 237 K HN 0.317 nan 8.250 nan 0.000 0.478 238 N N 2.712 121.329 118.700 -0.140 0.000 2.818 238 N HA -0.182 4.558 4.740 -0.000 0.000 0.250 238 N C -0.303 175.160 175.510 -0.079 0.000 1.108 238 N CA 0.943 53.953 53.050 -0.067 0.000 0.745 238 N CB -1.160 37.324 38.487 -0.005 0.000 1.104 238 N HN 0.648 nan 8.380 nan 0.000 0.557 239 L N -1.164 119.981 121.223 -0.131 0.000 2.858 239 L HA 0.323 4.663 4.340 -0.000 0.000 0.251 239 L C -0.132 176.730 176.870 -0.014 0.000 1.149 239 L CA -0.055 54.782 54.840 -0.005 0.000 0.955 239 L CB 0.151 42.283 42.059 0.121 0.000 1.289 239 L HN 0.175 nan 8.230 nan 0.000 0.542 240 F N -3.565 116.125 119.950 -0.434 0.000 2.688 240 F HA 0.433 4.960 4.527 -0.000 0.000 0.308 240 F C -0.104 175.254 175.800 -0.736 0.000 1.117 240 F CA -0.908 56.755 58.000 -0.562 0.000 0.976 240 F CB 0.748 39.596 39.000 -0.253 0.000 1.291 240 F HN -0.076 nan 8.300 nan 0.000 0.439 241 H N 1.013 120.098 119.070 0.025 0.000 2.785 241 H HA 0.506 5.062 4.556 -0.000 0.000 0.268 241 H C -0.521 174.782 175.328 -0.042 0.000 1.153 241 H CA -0.306 55.680 56.048 -0.103 0.000 1.111 241 H CB 0.609 30.324 29.762 -0.079 0.000 1.633 241 H HN 0.617 nan 8.280 nan 0.000 0.576 242 R N 0.329 120.930 120.500 0.168 0.000 2.644 242 R HA 0.606 4.946 4.340 -0.000 0.000 0.257 242 R C -1.511 174.937 176.300 0.247 0.000 1.082 242 R CA -0.440 55.721 56.100 0.103 0.000 0.927 242 R CB 2.071 32.275 30.300 -0.159 0.000 1.258 242 R HN 0.194 nan 8.270 nan 0.000 0.459 243 A N 3.017 126.013 122.820 0.292 0.000 2.413 243 A HA 0.890 5.210 4.320 -0.000 0.000 0.307 243 A C -1.089 176.710 177.584 0.357 0.000 1.087 243 A CA -0.662 51.473 52.037 0.163 0.000 0.750 243 A CB 1.285 20.168 19.000 -0.196 0.000 1.296 243 A HN 0.588 nan 8.150 nan 0.000 0.423 244 I N 1.166 121.895 120.570 0.265 0.000 2.534 244 I HA 0.250 4.420 4.170 -0.000 0.000 0.286 244 I C -0.504 175.752 176.117 0.232 0.000 1.094 244 I CA -0.118 61.288 61.300 0.177 0.000 1.055 244 I CB 2.397 40.383 38.000 -0.023 0.000 1.225 244 I HN 0.498 nan 8.210 nan 0.000 0.435 245 S N 5.687 121.502 115.700 0.193 0.000 2.520 245 S HA 0.346 4.816 4.470 -0.000 0.000 0.324 245 S C -0.517 174.155 174.600 0.119 0.000 1.069 245 S CA -0.684 57.602 58.200 0.143 0.000 1.121 245 S CB 0.737 64.019 63.200 0.138 0.000 0.971 245 S HN 0.449 nan 8.310 nan 0.000 0.463 246 E N 1.568 121.888 120.200 0.200 0.000 2.174 246 E HA 0.336 4.686 4.350 -0.000 0.000 0.282 246 E C -0.210 176.482 176.600 0.152 0.000 0.992 246 E CA -0.654 55.896 56.400 0.249 0.000 0.803 246 E CB 1.044 30.986 29.700 0.404 0.000 1.090 246 E HN 0.544 nan 8.360 nan 0.000 0.396 247 S N 1.407 117.173 115.700 0.110 0.000 3.559 247 S HA -0.159 4.311 4.470 -0.000 0.000 0.369 247 S C 0.077 174.936 174.600 0.432 0.000 0.987 247 S CA 0.653 58.960 58.200 0.178 0.000 1.187 247 S CB -1.125 62.079 63.200 0.006 0.000 0.914 247 S HN 0.938 nan 8.310 nan 0.000 0.480 248 G N -1.066 107.887 108.800 0.255 0.000 2.443 248 G HA2 0.544 4.504 3.960 -0.000 0.000 0.303 248 G HA3 0.544 4.504 3.960 -0.000 0.000 0.303 248 G C -0.933 173.983 174.900 0.026 0.000 1.613 248 G CA 0.088 45.277 45.100 0.149 0.000 0.879 248 G HN 1.428 nan 8.290 nan 0.000 0.632 249 V N -1.324 118.564 119.914 -0.043 0.000 3.226 249 V HA 0.911 5.031 4.120 -0.000 0.000 0.304 249 V C 1.281 177.321 176.094 -0.090 0.000 1.336 249 V CA 0.086 62.358 62.300 -0.047 0.000 1.066 249 V CB 0.969 32.758 31.823 -0.058 0.000 1.087 249 V HN 2.152 nan 8.190 nan 0.000 0.451 250 A N -0.228 122.545 122.820 -0.078 0.000 1.933 250 A HA 0.019 4.339 4.320 -0.000 0.000 0.218 250 A C 1.773 179.276 177.584 -0.136 0.000 1.175 250 A CA 2.088 54.059 52.037 -0.110 0.000 0.628 250 A CB -0.859 18.081 19.000 -0.101 0.000 0.814 250 A HN 0.924 nan 8.150 nan 0.000 0.444 251 L N 0.244 121.385 121.223 -0.138 0.000 2.450 251 L HA -0.076 4.264 4.340 -0.000 0.000 0.224 251 L C 0.466 177.205 176.870 -0.220 0.000 1.149 251 L CA 0.351 55.087 54.840 -0.173 0.000 0.816 251 L CB -0.914 41.041 42.059 -0.173 0.000 0.932 251 L HN 0.195 nan 8.230 nan 0.000 0.449 252 T N 0.013 114.431 114.554 -0.227 0.000 2.765 252 T HA -0.001 4.349 4.350 -0.000 0.000 0.284 252 T C 1.393 175.945 174.700 -0.246 0.000 0.946 252 T CA -0.061 61.870 62.100 -0.283 0.000 1.185 252 T CB 1.141 69.823 68.868 -0.309 0.000 0.887 252 T HN 0.193 nan 8.240 nan 0.000 0.532 253 S N 3.391 118.938 115.700 -0.256 0.000 2.354 253 S HA -0.153 4.317 4.470 -0.000 0.000 0.219 253 S C 2.420 176.899 174.600 -0.201 0.000 1.035 253 S CA 1.190 59.259 58.200 -0.218 0.000 1.037 253 S CB -0.558 62.507 63.200 -0.225 0.000 0.956 253 S HN 0.659 nan 8.310 nan 0.000 0.428 254 V N 2.261 122.047 119.914 -0.213 0.000 2.257 254 V HA -0.276 3.844 4.120 -0.000 0.000 0.257 254 V C 1.759 177.748 176.094 -0.176 0.000 1.077 254 V CA 2.334 64.525 62.300 -0.182 0.000 1.063 254 V CB -0.601 31.116 31.823 -0.176 0.000 0.664 254 V HN 0.513 nan 8.190 nan 0.000 0.450 255 L N -0.155 120.956 121.223 -0.186 0.000 2.554 255 L HA 0.194 4.534 4.340 -0.000 0.000 0.226 255 L C 0.355 177.107 176.870 -0.196 0.000 1.137 255 L CA 0.377 55.097 54.840 -0.200 0.000 0.863 255 L CB -0.276 41.672 42.059 -0.185 0.000 0.985 255 L HN 0.178 nan 8.230 nan 0.000 0.451 256 V N 0.252 120.063 119.914 -0.172 0.000 2.378 256 V HA 0.339 4.459 4.120 -0.000 0.000 0.288 256 V C 0.151 176.161 176.094 -0.139 0.000 1.016 256 V CA -1.105 61.105 62.300 -0.149 0.000 0.840 256 V CB 1.349 33.086 31.823 -0.142 0.000 0.994 256 V HN -0.005 nan 8.190 nan 0.000 0.431 257 K N 3.736 124.058 120.400 -0.130 0.000 2.237 257 K HA 0.548 4.868 4.320 -0.000 0.000 0.270 257 K C -0.421 176.121 176.600 -0.097 0.000 1.015 257 K CA -0.269 55.950 56.287 -0.114 0.000 0.949 257 K CB 1.287 33.717 32.500 -0.118 0.000 0.976 257 K HN 0.582 nan 8.250 nan 0.000 0.472 258 K N -0.065 120.288 120.400 -0.080 0.000 2.464 258 K HA 0.523 4.843 4.320 -0.000 0.000 0.253 258 K C -0.231 176.339 176.600 -0.049 0.000 0.933 258 K CA -0.519 55.729 56.287 -0.065 0.000 0.801 258 K CB 2.102 34.566 32.500 -0.060 0.000 1.271 258 K HN 0.816 nan 8.250 nan 0.000 0.430 259 G N 1.834 110.607 108.800 -0.044 0.000 2.681 259 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.220 259 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.220 259 G C -1.067 173.809 174.900 -0.041 0.000 1.353 259 G CA -0.399 44.681 45.100 -0.033 0.000 0.872 259 G HN 0.725 nan 8.290 nan 0.000 0.557 260 D N -0.204 120.176 120.400 -0.032 0.000 2.401 260 D HA 0.341 4.981 4.640 -0.000 0.000 0.254 260 D C 1.706 177.976 176.300 -0.050 0.000 1.192 260 D CA 0.583 54.560 54.000 -0.037 0.000 0.885 260 D CB 1.090 41.876 40.800 -0.024 0.000 1.147 260 D HN 1.127 nan 8.370 nan 0.000 0.478 261 V N 2.320 122.191 119.914 -0.072 0.000 3.650 261 V HA 0.077 4.197 4.120 -0.000 0.000 0.271 261 V C 2.196 178.224 176.094 -0.111 0.000 1.281 261 V CA 0.179 62.419 62.300 -0.101 0.000 1.120 261 V CB -0.680 31.060 31.823 -0.139 0.000 0.856 261 V HN 0.514 nan 8.190 nan 0.000 0.443 262 K N 1.520 121.872 120.400 -0.079 0.000 2.044 262 K HA -0.153 4.167 4.320 -0.000 0.000 0.210 262 K C -0.249 176.321 176.600 -0.049 0.000 1.049 262 K CA 2.153 58.403 56.287 -0.062 0.000 0.927 262 K CB -1.083 31.402 32.500 -0.025 0.000 0.713 262 K HN 0.411 nan 8.250 nan 0.000 0.443 263 P HA -0.191 nan 4.420 nan 0.000 0.217 263 P C 1.286 178.575 177.300 -0.019 0.000 1.148 263 P CA 1.074 64.164 63.100 -0.018 0.000 0.828 263 P CB 0.051 31.743 31.700 -0.013 0.000 0.783 264 L N -1.144 120.051 121.223 -0.046 0.000 2.072 264 L HA -0.083 4.257 4.340 -0.000 0.000 0.205 264 L C 2.149 178.986 176.870 -0.056 0.000 1.079 264 L CA 1.484 56.300 54.840 -0.040 0.000 0.752 264 L CB -0.722 41.291 42.059 -0.076 0.000 0.906 264 L HN -0.052 nan 8.230 nan 0.000 0.436 265 A N -0.419 122.312 122.820 -0.148 0.000 2.019 265 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 265 A C 2.005 179.636 177.584 0.078 0.000 1.164 265 A CA 1.570 53.501 52.037 -0.175 0.000 0.644 265 A CB -0.357 18.459 19.000 -0.307 0.000 0.805 265 A HN 0.568 nan 8.150 nan 0.000 0.449 266 E N -0.582 119.642 120.200 0.041 0.000 2.028 266 E HA -0.160 4.190 4.350 -0.000 0.000 0.190 266 E C 2.127 178.765 176.600 0.063 0.000 0.984 266 E CA 1.012 57.448 56.400 0.059 0.000 0.800 266 E CB -0.200 29.520 29.700 0.033 0.000 0.758 266 E HN 0.525 nan 8.360 nan 0.000 0.448 267 Q N 0.508 120.339 119.800 0.051 0.000 2.181 267 Q HA -0.122 4.218 4.340 -0.000 0.000 0.205 267 Q C 2.202 178.244 176.000 0.069 0.000 0.980 267 Q CA 1.040 56.872 55.803 0.049 0.000 0.862 267 Q CB -0.224 28.540 28.738 0.044 0.000 0.905 267 Q HN 0.430 nan 8.270 nan 0.000 0.429 268 I N 0.269 120.910 120.570 0.119 0.000 2.233 268 I HA -0.191 3.979 4.170 -0.000 0.000 0.243 268 I C 2.317 178.504 176.117 0.115 0.000 1.093 268 I CA 0.854 62.251 61.300 0.161 0.000 1.380 268 I CB -0.521 37.670 38.000 0.318 0.000 1.067 268 I HN 0.064 nan 8.210 nan 0.000 0.413 269 A N 1.483 124.388 122.820 0.141 0.000 1.892 269 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 269 A C 2.290 179.894 177.584 0.033 0.000 1.188 269 A CA 1.733 53.813 52.037 0.072 0.000 0.631 269 A CB -0.922 18.138 19.000 0.099 0.000 0.822 269 A HN 0.378 nan 8.150 nan 0.000 0.447 270 I N -0.856 119.737 120.570 0.038 0.000 2.142 270 I HA -0.223 3.947 4.170 -0.000 0.000 0.240 270 I C 2.530 178.651 176.117 0.008 0.000 1.078 270 I CA 1.835 63.147 61.300 0.019 0.000 1.343 270 I CB -0.813 37.199 38.000 0.019 0.000 1.046 270 I HN 0.220 nan 8.210 nan 0.000 0.405 271 T N 0.678 115.237 114.554 0.008 0.000 2.897 271 T HA -0.114 4.236 4.350 -0.000 0.000 0.271 271 T C 1.811 176.505 174.700 -0.011 0.000 1.084 271 T CA 1.289 63.386 62.100 -0.006 0.000 1.123 271 T CB -0.201 68.657 68.868 -0.016 0.000 0.865 271 T HN 0.490 nan 8.240 nan 0.000 0.496 272 A N 0.266 123.081 122.820 -0.008 0.000 2.072 272 A HA 0.486 4.806 4.320 -0.000 0.000 0.216 272 A C 1.893 179.466 177.584 -0.020 0.000 1.156 272 A CA 0.984 53.008 52.037 -0.022 0.000 0.701 272 A CB -0.440 18.535 19.000 -0.043 0.000 0.816 272 A HN 0.735 nan 8.150 nan 0.000 0.458 273 G N -2.315 106.478 108.800 -0.012 0.000 2.131 273 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.201 273 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.201 273 G C 0.015 174.907 174.900 -0.012 0.000 1.000 273 G CA -0.063 45.030 45.100 -0.011 0.000 0.680 273 G HN 0.586 nan 8.290 nan 0.000 0.514 274 c N 0.014 118.607 118.600 -0.011 0.000 2.505 274 c HA 0.765 5.335 4.570 -0.000 0.000 0.358 274 c C 0.972 175.064 174.090 0.004 0.000 1.226 274 c CA -0.723 55.599 56.329 -0.011 0.000 1.900 274 c CB 1.444 43.939 42.510 -0.025 0.000 2.306 274 c HN 0.522 nan 8.230 nan 0.000 0.512 275 K N 0.329 120.734 120.400 0.009 0.000 2.107 275 K HA 0.425 4.745 4.320 -0.000 0.000 0.251 275 K C 0.496 177.111 176.600 0.026 0.000 1.012 275 K CA 0.133 56.430 56.287 0.017 0.000 0.920 275 K CB 0.621 33.133 32.500 0.020 0.000 1.033 275 K HN 0.839 nan 8.250 nan 0.000 0.478 276 T N -2.907 111.664 114.554 0.027 0.000 3.460 276 T HA 0.076 4.426 4.350 -0.000 0.000 0.304 276 T C 0.897 175.615 174.700 0.029 0.000 0.991 276 T CA -0.407 61.714 62.100 0.036 0.000 0.975 276 T CB 0.038 68.928 68.868 0.037 0.000 1.196 276 T HN 0.419 nan 8.240 nan 0.000 0.490 277 T N 2.748 117.315 114.554 0.022 0.000 2.635 277 T HA -0.023 4.327 4.350 -0.000 0.000 0.267 277 T C 1.196 175.904 174.700 0.014 0.000 1.040 277 T CA 2.124 64.233 62.100 0.015 0.000 1.156 277 T CB -0.403 68.471 68.868 0.011 0.000 0.863 277 T HN 0.875 nan 8.240 nan 0.000 0.430 278 T N -2.129 112.431 114.554 0.010 0.000 2.838 278 T HA 0.499 4.849 4.350 -0.000 0.000 0.292 278 T C 1.057 175.764 174.700 0.011 0.000 1.113 278 T CA -0.359 61.742 62.100 0.002 0.000 1.008 278 T CB 1.741 70.589 68.868 -0.033 0.000 1.259 278 T HN -0.136 nan 8.240 nan 0.000 0.520 279 S N 0.282 115.997 115.700 0.025 0.000 2.356 279 S HA -0.013 4.457 4.470 -0.000 0.000 0.223 279 S C 2.429 177.043 174.600 0.023 0.000 1.032 279 S CA 1.469 59.717 58.200 0.080 0.000 1.005 279 S CB -1.038 62.279 63.200 0.195 0.000 0.867 279 S HN 0.911 nan 8.310 nan 0.000 0.449 280 A N 1.563 124.245 122.820 -0.230 0.000 1.842 280 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 280 A C 2.314 179.880 177.584 -0.031 0.000 1.206 280 A CA 2.079 53.952 52.037 -0.274 0.000 0.630 280 A CB -1.364 17.318 19.000 -0.530 0.000 0.839 280 A HN 0.336 nan 8.150 nan 0.000 0.447 281 V N -0.024 119.873 119.914 -0.029 0.000 2.363 281 V HA -0.432 3.688 4.120 -0.000 0.000 0.254 281 V C 2.607 178.748 176.094 0.079 0.000 1.074 281 V CA 2.584 64.913 62.300 0.049 0.000 1.069 281 V CB -0.995 30.845 31.823 0.028 0.000 0.659 281 V HN 0.573 nan 8.190 nan 0.000 0.455 282 M N -0.620 119.019 119.600 0.065 0.000 2.059 282 M HA -0.154 4.326 4.480 -0.000 0.000 0.259 282 M C 2.272 178.588 176.300 0.027 0.000 1.072 282 M CA 1.920 57.256 55.300 0.060 0.000 1.117 282 M CB -0.581 32.094 32.600 0.125 0.000 1.320 282 M HN 0.271 nan 8.290 nan 0.000 0.408 283 V N -0.317 119.648 119.914 0.085 0.000 2.282 283 V HA -0.324 3.796 4.120 -0.000 0.000 0.249 283 V C 2.303 178.489 176.094 0.154 0.000 1.057 283 V CA 2.520 64.886 62.300 0.110 0.000 1.032 283 V CB -1.236 30.727 31.823 0.234 0.000 0.645 283 V HN 0.525 nan 8.190 nan 0.000 0.447 284 H N -1.162 117.942 119.070 0.057 0.000 2.423 284 H HA -0.161 4.395 4.556 -0.000 0.000 0.297 284 H C 2.212 177.550 175.328 0.016 0.000 1.075 284 H CA 1.933 58.001 56.048 0.033 0.000 1.342 284 H CB -0.428 29.340 29.762 0.010 0.000 1.395 284 H HN 0.462 nan 8.280 nan 0.000 0.530 285 c N -0.468 118.058 118.600 -0.124 0.000 2.475 285 c HA 0.101 4.671 4.570 -0.000 0.000 0.279 285 c C 2.599 176.606 174.090 -0.137 0.000 1.322 285 c CA 0.308 56.544 56.329 -0.156 0.000 1.734 285 c CB -1.261 41.221 42.510 -0.045 0.000 2.005 285 c HN 0.641 nan 8.230 nan 0.000 0.495 286 L N 0.154 121.322 121.223 -0.092 0.000 2.313 286 L HA 0.018 4.358 4.340 -0.000 0.000 0.214 286 L C 2.851 179.722 176.870 0.001 0.000 1.119 286 L CA 0.823 55.626 54.840 -0.060 0.000 0.809 286 L CB -0.622 41.332 42.059 -0.174 0.000 0.933 286 L HN 0.334 nan 8.230 nan 0.000 0.449 287 R N -0.287 120.193 120.500 -0.033 0.000 2.115 287 R HA -0.118 4.222 4.340 -0.000 0.000 0.230 287 R C 2.062 178.258 176.300 -0.173 0.000 1.111 287 R CA 0.817 56.814 56.100 -0.172 0.000 0.976 287 R CB -0.069 30.134 30.300 -0.162 0.000 0.870 287 R HN 0.408 nan 8.270 nan 0.000 0.445 288 Q N 0.685 120.370 119.800 -0.192 0.000 2.369 288 Q HA 0.009 4.349 4.340 -0.000 0.000 0.206 288 Q C 0.311 176.257 176.000 -0.091 0.000 0.963 288 Q CA 0.720 56.431 55.803 -0.153 0.000 0.894 288 Q CB 0.144 28.767 28.738 -0.190 0.000 0.965 288 Q HN 0.085 nan 8.270 nan 0.000 0.475 289 K N 1.732 122.085 120.400 -0.078 0.000 2.276 289 K HA 0.061 4.381 4.320 -0.000 0.000 0.259 289 K C 0.739 177.336 176.600 -0.005 0.000 1.001 289 K CA 0.159 56.423 56.287 -0.039 0.000 0.927 289 K CB 0.278 32.754 32.500 -0.041 0.000 0.969 289 K HN 0.179 nan 8.250 nan 0.000 0.490 290 T N -3.004 111.565 114.554 0.025 0.000 2.881 290 T HA 0.134 4.484 4.350 -0.000 0.000 0.278 290 T C 1.224 176.002 174.700 0.130 0.000 0.982 290 T CA -0.591 61.540 62.100 0.052 0.000 0.989 290 T CB 1.363 70.253 68.868 0.036 0.000 1.058 290 T HN 0.583 nan 8.240 nan 0.000 0.529 291 E N 0.073 120.358 120.200 0.141 0.000 2.072 291 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 291 E C 1.755 178.493 176.600 0.229 0.000 0.985 291 E CA 1.275 57.814 56.400 0.231 0.000 0.801 291 E CB -0.025 29.712 29.700 0.061 0.000 0.750 291 E HN 0.772 nan 8.360 nan 0.000 0.452 292 E N 0.768 121.040 120.200 0.121 0.000 2.072 292 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 292 E C 1.931 178.597 176.600 0.111 0.000 0.985 292 E CA 1.211 57.670 56.400 0.099 0.000 0.801 292 E CB -0.031 29.700 29.700 0.052 0.000 0.750 292 E HN 0.320 nan 8.360 nan 0.000 0.452 293 E N 0.279 120.535 120.200 0.092 0.000 2.051 293 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 293 E C 2.114 178.759 176.600 0.074 0.000 0.991 293 E CA 0.848 57.286 56.400 0.063 0.000 0.799 293 E CB -0.171 29.549 29.700 0.034 0.000 0.748 293 E HN 0.255 nan 8.360 nan 0.000 0.449 294 L N 0.699 121.990 121.223 0.114 0.000 2.217 294 L HA -0.140 4.200 4.340 -0.000 0.000 0.211 294 L C 2.479 179.459 176.870 0.183 0.000 1.107 294 L CA 0.112 54.975 54.840 0.039 0.000 0.783 294 L CB -0.114 41.875 42.059 -0.116 0.000 0.919 294 L HN 0.173 nan 8.230 nan 0.000 0.442 295 L N 0.064 121.503 121.223 0.360 0.000 2.027 295 L HA -0.198 4.142 4.340 -0.000 0.000 0.206 295 L C 2.312 179.292 176.870 0.183 0.000 1.074 295 L CA 1.823 56.879 54.840 0.360 0.000 0.745 295 L CB -0.389 41.815 42.059 0.243 0.000 0.898 295 L HN 0.181 nan 8.230 nan 0.000 0.433 296 E N -1.416 118.853 120.200 0.114 0.000 2.204 296 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 296 E C 1.689 178.310 176.600 0.034 0.000 0.989 296 E CA 1.324 57.760 56.400 0.060 0.000 0.824 296 E CB 0.030 29.753 29.700 0.039 0.000 0.756 296 E HN 0.567 nan 8.360 nan 0.000 0.477 297 T N -0.579 113.997 114.554 0.035 0.000 2.951 297 T HA -0.069 4.281 4.350 -0.000 0.000 0.268 297 T C 1.707 176.396 174.700 -0.019 0.000 1.073 297 T CA 1.347 63.443 62.100 -0.005 0.000 1.134 297 T CB -0.143 68.715 68.868 -0.017 0.000 0.884 297 T HN 0.164 nan 8.240 nan 0.000 0.479 298 T N 2.409 116.996 114.554 0.056 0.000 2.857 298 T HA 0.145 4.495 4.350 -0.000 0.000 0.266 298 T C 1.795 176.491 174.700 -0.005 0.000 1.048 298 T CA 0.698 62.856 62.100 0.097 0.000 1.139 298 T CB -0.256 68.781 68.868 0.281 0.000 0.874 298 T HN 0.306 nan 8.240 nan 0.000 0.455 299 L N 0.267 121.501 121.223 0.018 0.000 2.478 299 L HA 0.137 4.477 4.340 -0.000 0.000 0.223 299 L C 2.286 179.116 176.870 -0.067 0.000 1.140 299 L CA 0.831 55.664 54.840 -0.011 0.000 0.842 299 L CB -0.332 41.739 42.059 0.020 0.000 0.953 299 L HN 0.143 nan 8.230 nan 0.000 0.452 300 K N -0.530 119.814 120.400 -0.093 0.000 2.379 300 K HA 0.105 4.425 4.320 -0.000 0.000 0.194 300 K C 1.807 178.297 176.600 -0.183 0.000 1.031 300 K CA 0.294 56.518 56.287 -0.104 0.000 1.037 300 K CB 0.283 32.741 32.500 -0.070 0.000 0.824 300 K HN 0.189 nan 8.250 nan 0.000 0.516 301 M N 0.685 120.083 119.600 -0.337 0.000 2.447 301 M HA 0.003 4.483 4.480 -0.000 0.000 0.264 301 M C 0.076 176.062 176.300 -0.523 0.000 1.095 301 M CA 0.941 55.889 55.300 -0.587 0.000 1.125 301 M CB -0.444 31.373 32.600 -1.305 0.000 1.389 301 M HN -0.007 nan 8.290 nan 0.000 0.459 302 K N -0.485 119.708 120.400 -0.346 0.000 3.148 302 K HA -0.209 4.111 4.320 -0.000 0.000 0.267 302 K C 0.465 177.037 176.600 -0.046 0.000 0.996 302 K CA 0.074 56.276 56.287 -0.142 0.000 0.737 302 K CB -2.427 30.025 32.500 -0.080 0.000 1.308 302 K HN 0.259 nan 8.250 nan 0.000 0.470 303 F N -0.238 119.736 119.950 0.040 0.000 2.307 303 F HA -0.243 4.284 4.527 -0.000 0.000 0.301 303 F C 2.159 177.983 175.800 0.039 0.000 1.076 303 F CA 1.230 59.255 58.000 0.040 0.000 1.383 303 F CB -0.051 38.982 39.000 0.055 0.000 1.055 303 F HN 0.393 nan 8.300 nan 0.000 0.526 304 L N -1.696 119.666 121.223 0.232 0.000 2.445 304 L HA 0.313 4.653 4.340 -0.000 0.000 0.207 304 L C 1.054 177.995 176.870 0.119 0.000 1.053 304 L CA 0.340 55.273 54.840 0.154 0.000 0.841 304 L CB -0.609 41.526 42.059 0.128 0.000 1.074 304 L HN -0.317 nan 8.230 nan 0.000 0.479 305 S N 1.569 117.327 115.700 0.097 0.000 2.561 305 S HA 0.176 4.646 4.470 -0.000 0.000 0.294 305 S C -0.218 174.427 174.600 0.076 0.000 1.294 305 S CA 0.002 58.244 58.200 0.071 0.000 1.055 305 S CB 0.185 63.410 63.200 0.042 0.000 0.819 305 S HN 0.331 nan 8.310 nan 0.000 0.503 306 L N 2.993 124.260 121.223 0.074 0.000 2.289 306 L HA 0.416 4.756 4.340 -0.000 0.000 0.285 306 L C -0.227 176.651 176.870 0.013 0.000 1.049 306 L CA -0.383 54.496 54.840 0.065 0.000 0.804 306 L CB 1.226 43.347 42.059 0.103 0.000 1.195 306 L HN 0.490 nan 8.230 nan 0.000 0.428 307 D N 2.870 123.270 120.400 0.001 0.000 2.264 307 D HA 0.222 4.862 4.640 -0.000 0.000 0.250 307 D C 0.632 176.905 176.300 -0.044 0.000 1.113 307 D CA -0.063 53.925 54.000 -0.021 0.000 0.871 307 D CB 1.421 42.208 40.800 -0.021 0.000 1.167 307 D HN 0.415 nan 8.370 nan 0.000 0.447 308 L N 2.161 123.355 121.223 -0.047 0.000 2.202 308 L HA 0.071 4.411 4.340 -0.000 0.000 0.205 308 L C 1.113 177.958 176.870 -0.041 0.000 1.083 308 L CA 0.703 55.508 54.840 -0.058 0.000 0.790 308 L CB -0.471 41.554 42.059 -0.058 0.000 0.942 308 L HN 0.505 nan 8.230 nan 0.000 0.452 309 Q N 0.441 120.222 119.800 -0.032 0.000 2.306 309 Q HA 0.629 4.969 4.340 -0.000 0.000 0.265 309 Q C -0.141 175.843 176.000 -0.026 0.000 1.022 309 Q CA -0.264 55.526 55.803 -0.022 0.000 0.853 309 Q CB 2.304 31.033 28.738 -0.014 0.000 1.327 309 Q HN 0.112 nan 8.270 nan 0.000 0.449 310 G N 1.595 110.383 108.800 -0.020 0.000 2.587 310 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.686 310 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.686 310 G C -1.223 173.648 174.900 -0.048 0.000 1.236 310 G CA -0.474 44.611 45.100 -0.026 0.000 0.820 310 G HN 0.829 nan 8.290 nan 0.000 0.645 311 D N 1.379 121.752 120.400 -0.045 0.000 2.493 311 D HA 0.166 4.806 4.640 -0.000 0.000 0.240 311 D C -0.529 175.661 176.300 -0.184 0.000 1.142 311 D CA -0.754 53.199 54.000 -0.078 0.000 0.872 311 D CB 1.247 42.020 40.800 -0.045 0.000 1.173 311 D HN 0.023 nan 8.370 nan 0.000 0.467 312 P HA -0.124 nan 4.420 nan 0.000 0.215 312 P C 0.721 177.828 177.300 -0.321 0.000 1.157 312 P CA 1.327 64.142 63.100 -0.474 0.000 0.874 312 P CB 0.147 31.202 31.700 -1.076 0.000 0.790 313 R N -0.285 119.983 120.500 -0.387 0.000 2.346 313 R HA -0.013 4.327 4.340 -0.000 0.000 0.208 313 R C 1.099 177.339 176.300 -0.099 0.000 1.052 313 R CA 0.488 56.445 56.100 -0.238 0.000 1.116 313 R CB -0.361 29.760 30.300 -0.298 0.000 1.003 313 R HN 0.285 nan 8.270 nan 0.000 0.482 314 E N -0.431 119.716 120.200 -0.088 0.000 2.498 314 E HA 0.130 4.480 4.350 -0.000 0.000 0.203 314 E C 0.252 176.841 176.600 -0.018 0.000 1.013 314 E CA 0.128 56.502 56.400 -0.043 0.000 0.927 314 E CB 0.766 30.439 29.700 -0.044 0.000 1.012 314 E HN 0.091 nan 8.360 nan 0.000 0.482 315 S N 0.960 116.652 115.700 -0.013 0.000 2.397 315 S HA 0.341 4.811 4.470 -0.000 0.000 0.261 315 S C 0.068 174.700 174.600 0.053 0.000 1.187 315 S CA -0.302 57.910 58.200 0.020 0.000 1.023 315 S CB 0.659 63.870 63.200 0.017 0.000 1.103 315 S HN 0.084 nan 8.310 nan 0.000 0.474 316 Q N 0.252 120.102 119.800 0.084 0.000 2.443 316 Q HA 0.314 4.654 4.340 -0.000 0.000 0.258 316 Q C -2.620 173.438 176.000 0.097 0.000 0.967 316 Q CA -1.067 54.797 55.803 0.101 0.000 0.951 316 Q CB 1.209 30.058 28.738 0.184 0.000 1.459 316 Q HN 0.252 nan 8.270 nan 0.000 0.415 317 P HA 0.112 nan 4.420 nan 0.000 0.206 317 P C -0.491 176.760 177.300 -0.082 0.000 1.212 317 P CA 0.841 63.925 63.100 -0.027 0.000 0.919 317 P CB 0.346 31.998 31.700 -0.080 0.000 0.755 318 L N -3.041 118.061 121.223 -0.202 0.000 2.969 318 L HA 0.340 4.680 4.340 -0.000 0.000 0.250 318 L C -0.081 176.559 176.870 -0.383 0.000 0.953 318 L CA -0.936 53.674 54.840 -0.383 0.000 1.066 318 L CB -0.527 41.376 42.059 -0.260 0.000 1.497 318 L HN 0.006 nan 8.230 nan 0.000 0.512 319 L N 0.909 121.852 121.223 -0.467 0.000 2.878 319 L HA 0.458 4.798 4.340 -0.000 0.000 0.285 319 L C 0.518 177.227 176.870 -0.269 0.000 1.090 319 L CA 0.942 55.610 54.840 -0.287 0.000 1.030 319 L CB -1.097 40.829 42.059 -0.222 0.000 1.431 319 L HN 0.872 nan 8.230 nan 0.000 0.456 320 G N 2.846 111.474 108.800 -0.286 0.000 3.212 320 G HA2 0.498 4.458 3.960 -0.000 0.000 0.188 320 G HA3 0.498 4.458 3.960 -0.000 0.000 0.188 320 G C -0.436 174.298 174.900 -0.276 0.000 1.254 320 G CA -0.475 44.354 45.100 -0.451 0.000 0.957 320 G HN 0.560 nan 8.290 nan 0.000 0.596 321 T N 0.111 114.522 114.554 -0.237 0.000 2.906 321 T HA 0.365 4.715 4.350 -0.000 0.000 0.329 321 T C 0.460 175.131 174.700 -0.048 0.000 1.091 321 T CA 0.869 62.977 62.100 0.015 0.000 1.127 321 T CB 0.707 69.609 68.868 0.056 0.000 1.035 321 T HN 1.352 nan 8.240 nan 0.000 0.547 322 V N -1.032 118.863 119.914 -0.033 0.000 3.181 322 V HA 0.630 4.750 4.120 -0.000 0.000 0.307 322 V C -1.305 174.739 176.094 -0.084 0.000 1.310 322 V CA -1.342 60.910 62.300 -0.081 0.000 1.067 322 V CB 2.004 33.763 31.823 -0.106 0.000 1.081 322 V HN 0.594 nan 8.190 nan 0.000 0.453 323 I N 3.146 123.663 120.570 -0.088 0.000 2.310 323 I HA 0.404 4.574 4.170 -0.000 0.000 0.287 323 I C 0.288 176.357 176.117 -0.081 0.000 1.073 323 I CA 0.015 61.265 61.300 -0.082 0.000 1.216 323 I CB 0.348 38.303 38.000 -0.076 0.000 1.415 323 I HN 0.984 nan 8.210 nan 0.000 0.480 324 D N 3.335 123.685 120.400 -0.083 0.000 2.379 324 D HA 0.069 4.709 4.640 -0.000 0.000 0.208 324 D C 1.276 177.543 176.300 -0.055 0.000 1.065 324 D CA 0.401 54.352 54.000 -0.082 0.000 0.848 324 D CB 0.592 41.322 40.800 -0.117 0.000 0.949 324 D HN 0.669 nan 8.370 nan 0.000 0.509 325 G N 0.627 109.398 108.800 -0.049 0.000 2.160 325 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.251 325 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.251 325 G C 0.754 175.643 174.900 -0.018 0.000 1.008 325 G CA 0.923 46.003 45.100 -0.034 0.000 0.724 325 G HN 0.320 nan 8.290 nan 0.000 0.514 326 M N -2.161 117.428 119.600 -0.018 0.000 2.330 326 M HA 0.355 4.835 4.480 -0.000 0.000 0.207 326 M C 2.069 178.373 176.300 0.005 0.000 1.622 326 M CA 0.812 56.115 55.300 0.005 0.000 1.045 326 M CB -0.663 31.948 32.600 0.020 0.000 1.461 326 M HN 0.233 nan 8.290 nan 0.000 0.564 327 L N 0.443 121.658 121.223 -0.013 0.000 2.253 327 L HA 0.321 4.661 4.340 -0.000 0.000 0.205 327 L C 0.066 176.903 176.870 -0.055 0.000 1.078 327 L CA 1.066 55.894 54.840 -0.021 0.000 0.805 327 L CB 0.555 42.600 42.059 -0.025 0.000 0.963 327 L HN 0.093 nan 8.230 nan 0.000 0.459 328 L N 0.037 121.219 121.223 -0.069 0.000 2.406 328 L HA 0.257 4.597 4.340 -0.000 0.000 0.272 328 L C 0.401 177.227 176.870 -0.074 0.000 0.980 328 L CA -0.400 54.387 54.840 -0.088 0.000 0.831 328 L CB 2.081 44.074 42.059 -0.111 0.000 1.253 328 L HN 0.060 nan 8.230 nan 0.000 0.406 329 L N 2.464 123.643 121.223 -0.073 0.000 2.291 329 L HA 0.014 4.354 4.340 -0.000 0.000 0.214 329 L C 0.541 177.372 176.870 -0.064 0.000 1.120 329 L CA 1.110 55.914 54.840 -0.059 0.000 0.799 329 L CB -0.357 41.670 42.059 -0.053 0.000 0.925 329 L HN 0.635 nan 8.230 nan 0.000 0.446 330 K N -1.926 118.427 120.400 -0.079 0.000 2.615 330 K HA 0.315 4.635 4.320 -0.000 0.000 0.291 330 K C -0.412 176.135 176.600 -0.088 0.000 1.017 330 K CA -0.769 55.473 56.287 -0.076 0.000 0.882 330 K CB 0.629 33.088 32.500 -0.069 0.000 1.522 330 K HN -0.135 nan 8.250 nan 0.000 0.412 331 T N -1.480 113.024 114.554 -0.083 0.000 2.906 331 T HA 0.003 4.353 4.350 -0.000 0.000 0.329 331 T C -1.770 172.870 174.700 -0.101 0.000 1.091 331 T CA -0.426 61.620 62.100 -0.091 0.000 1.127 331 T CB -0.032 68.787 68.868 -0.083 0.000 1.035 331 T HN 0.359 nan 8.240 nan 0.000 0.547 332 P HA -0.103 nan 4.420 nan 0.000 0.215 332 P C 1.478 178.720 177.300 -0.097 0.000 1.157 332 P CA 1.206 64.240 63.100 -0.110 0.000 0.874 332 P CB 0.030 31.662 31.700 -0.114 0.000 0.790 333 E N 0.078 120.221 120.200 -0.095 0.000 2.035 333 E HA -0.240 4.110 4.350 -0.000 0.000 0.204 333 E C 1.933 178.489 176.600 -0.074 0.000 1.025 333 E CA 1.629 57.979 56.400 -0.084 0.000 0.835 333 E CB -1.039 28.610 29.700 -0.086 0.000 0.764 333 E HN 0.413 nan 8.360 nan 0.000 0.457 334 E N 0.442 120.598 120.200 -0.074 0.000 2.035 334 E HA -0.232 4.118 4.350 -0.000 0.000 0.204 334 E C 2.308 178.859 176.600 -0.082 0.000 1.025 334 E CA 1.337 57.696 56.400 -0.069 0.000 0.835 334 E CB -0.480 29.180 29.700 -0.067 0.000 0.764 334 E HN 0.179 nan 8.360 nan 0.000 0.457 335 L N 1.075 122.234 121.223 -0.106 0.000 2.151 335 L HA -0.313 4.027 4.340 -0.000 0.000 0.215 335 L C 2.652 179.437 176.870 -0.143 0.000 1.084 335 L CA 1.417 56.169 54.840 -0.147 0.000 0.764 335 L CB -0.569 41.381 42.059 -0.183 0.000 0.891 335 L HN 0.268 nan 8.230 nan 0.000 0.435 336 Q N -0.584 119.158 119.800 -0.098 0.000 2.170 336 Q HA -0.140 4.200 4.340 -0.000 0.000 0.203 336 Q C 2.052 178.024 176.000 -0.048 0.000 0.976 336 Q CA 1.336 57.103 55.803 -0.061 0.000 0.858 336 Q CB -0.179 28.541 28.738 -0.030 0.000 0.907 336 Q HN 0.574 nan 8.270 nan 0.000 0.433 337 A N 1.283 124.073 122.820 -0.050 0.000 2.261 337 A HA -0.058 4.262 4.320 -0.000 0.000 0.208 337 A C 0.564 178.125 177.584 -0.038 0.000 1.223 337 A CA 0.059 52.075 52.037 -0.035 0.000 0.833 337 A CB -0.169 18.812 19.000 -0.032 0.000 0.830 337 A HN 0.200 nan 8.150 nan 0.000 0.483 338 E N 0.301 120.466 120.200 -0.059 0.000 1.993 338 E HA 0.264 4.614 4.350 -0.000 0.000 0.271 338 E C 0.551 177.142 176.600 -0.014 0.000 1.008 338 E CA -0.469 55.898 56.400 -0.056 0.000 0.814 338 E CB 0.311 29.936 29.700 -0.124 0.000 1.098 338 E HN 0.304 nan 8.360 nan 0.000 0.407 339 R N 2.367 122.873 120.500 0.010 0.000 2.070 339 R HA -0.066 4.274 4.340 -0.000 0.000 0.227 339 R C 0.179 176.528 176.300 0.082 0.000 1.147 339 R CA 1.107 57.226 56.100 0.033 0.000 0.924 339 R CB -0.600 29.711 30.300 0.018 0.000 0.827 339 R HN 0.444 nan 8.270 nan 0.000 0.431 340 N N 0.643 119.387 118.700 0.074 0.000 2.394 340 N HA 0.083 4.823 4.740 -0.000 0.000 0.282 340 N C -0.986 174.656 175.510 0.220 0.000 1.351 340 N CA 0.687 53.796 53.050 0.099 0.000 0.936 340 N CB -0.106 38.419 38.487 0.064 0.000 1.274 340 N HN 0.070 nan 8.380 nan 0.000 0.489 341 F N 0.177 120.126 119.950 -0.003 0.000 2.829 341 F HA 0.149 4.676 4.527 -0.000 0.000 0.319 341 F C -1.160 174.673 175.800 0.055 0.000 1.153 341 F CA -1.052 56.957 58.000 0.015 0.000 0.912 341 F CB 0.950 39.950 39.000 -0.001 0.000 1.292 341 F HN 0.384 nan 8.300 nan 0.000 0.447 342 H N 2.784 121.222 119.070 -1.053 0.000 3.004 342 H HA 0.403 4.959 4.556 -0.000 0.000 0.267 342 H C -0.575 174.418 175.328 -0.557 0.000 1.165 342 H CA 0.175 55.784 56.048 -0.732 0.000 1.450 342 H CB 0.412 29.716 29.762 -0.765 0.000 1.488 342 H HN 0.620 nan 8.280 nan 0.000 0.478 343 T N 2.637 117.120 114.554 -0.119 0.000 2.882 343 T HA 0.429 4.779 4.350 -0.000 0.000 0.287 343 T C 0.250 174.879 174.700 -0.118 0.000 0.992 343 T CA -0.829 61.225 62.100 -0.077 0.000 1.076 343 T CB 1.642 70.485 68.868 -0.041 0.000 0.961 343 T HN 0.369 nan 8.240 nan 0.000 0.490 344 V N -0.912 118.984 119.914 -0.030 0.000 2.876 344 V HA 0.703 4.823 4.120 -0.000 0.000 0.312 344 V C -3.119 173.110 176.094 0.226 0.000 1.085 344 V CA -3.349 58.948 62.300 -0.004 0.000 0.945 344 V CB 1.368 33.090 31.823 -0.168 0.000 1.017 344 V HN 0.627 nan 8.190 nan 0.000 0.428 345 P HA 0.101 nan 4.420 nan 0.000 0.266 345 P C -1.354 176.224 177.300 0.464 0.000 1.186 345 P CA 0.631 63.912 63.100 0.302 0.000 0.767 345 P CB -0.014 31.720 31.700 0.055 0.000 0.820 346 Y N 2.335 122.775 120.300 0.234 0.000 2.470 346 Y HA 0.560 5.110 4.550 -0.000 0.000 0.341 346 Y C -0.893 174.907 175.900 -0.166 0.000 1.021 346 Y CA -1.583 56.493 58.100 -0.040 0.000 1.025 346 Y CB 1.813 39.875 38.460 -0.663 0.000 1.266 346 Y HN 0.214 nan 8.280 nan 0.000 0.448 347 M N 7.489 126.974 119.600 -0.190 0.000 2.134 347 M HA 0.550 5.030 4.480 -0.000 0.000 0.310 347 M C -2.309 173.705 176.300 -0.475 0.000 0.966 347 M CA -0.684 54.284 55.300 -0.553 0.000 0.922 347 M CB 0.999 32.966 32.600 -1.054 0.000 1.537 347 M HN 0.387 nan 8.290 nan 0.000 0.424 348 V N 4.802 124.415 119.914 -0.502 0.000 2.409 348 V HA 0.896 5.016 4.120 -0.000 0.000 0.291 348 V C 0.312 176.202 176.094 -0.341 0.000 1.020 348 V CA -0.475 61.547 62.300 -0.464 0.000 0.848 348 V CB 1.160 32.593 31.823 -0.649 0.000 0.990 348 V HN 0.995 nan 8.190 nan 0.000 0.430 349 G N 3.969 112.535 108.800 -0.390 0.000 2.949 349 G HA2 0.940 4.900 3.960 -0.000 0.000 0.285 349 G HA3 0.940 4.900 3.960 -0.000 0.000 0.285 349 G C -1.083 173.438 174.900 -0.631 0.000 1.395 349 G CA -0.583 43.917 45.100 -0.999 0.000 0.901 349 G HN 0.902 nan 8.290 nan 0.000 0.519 350 I N -3.536 116.643 120.570 -0.651 0.000 3.434 350 I HA 0.577 4.747 4.170 -0.000 0.000 0.317 350 I C -1.525 174.550 176.117 -0.069 0.000 1.230 350 I CA -1.420 59.741 61.300 -0.232 0.000 0.918 350 I CB 2.212 40.127 38.000 -0.143 0.000 1.337 350 I HN 0.464 nan 8.210 nan 0.000 0.482 351 N N 0.825 119.539 118.700 0.024 0.000 2.269 351 N HA 0.272 5.012 4.740 -0.000 0.000 0.304 351 N C -0.219 175.351 175.510 0.100 0.000 1.072 351 N CA -0.838 52.306 53.050 0.157 0.000 0.802 351 N CB 2.638 41.247 38.487 0.202 0.000 1.348 351 N HN 0.532 nan 8.380 nan 0.000 0.484 352 K N 1.028 121.500 120.400 0.121 0.000 2.071 352 K HA -0.233 4.087 4.320 -0.000 0.000 0.217 352 K C 0.102 176.753 176.600 0.086 0.000 1.054 352 K CA 1.990 58.330 56.287 0.088 0.000 0.937 352 K CB 0.053 32.597 32.500 0.073 0.000 0.719 352 K HN 0.568 nan 8.250 nan 0.000 0.454 353 Q N -0.130 119.729 119.800 0.097 0.000 2.965 353 Q HA 0.107 4.447 4.340 -0.000 0.000 0.288 353 Q C -0.153 175.910 176.000 0.105 0.000 0.974 353 Q CA -0.372 55.495 55.803 0.107 0.000 0.849 353 Q CB 1.482 30.288 28.738 0.113 0.000 1.280 353 Q HN 0.145 nan 8.270 nan 0.000 0.441 354 E N 0.275 120.503 120.200 0.046 0.000 2.130 354 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 354 E C 0.447 177.073 176.600 0.043 0.000 0.998 354 E CA 1.352 57.718 56.400 -0.057 0.000 0.806 354 E CB 0.128 29.570 29.700 -0.429 0.000 0.738 354 E HN 0.483 nan 8.360 nan 0.000 0.459 355 F N 0.248 120.158 119.950 -0.066 0.000 2.730 355 F HA 0.236 4.763 4.527 -0.000 0.000 0.295 355 F C 1.711 177.511 175.800 0.000 0.000 1.143 355 F CA -0.225 57.735 58.000 -0.067 0.000 1.367 355 F CB 0.399 39.344 39.000 -0.091 0.000 0.970 355 F HN -0.050 nan 8.300 nan 0.000 0.514 356 G N 0.585 109.434 108.800 0.082 0.000 2.511 356 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.216 356 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.216 356 G C 1.047 176.039 174.900 0.153 0.000 1.218 356 G CA 1.500 46.675 45.100 0.126 0.000 0.788 356 G HN 0.604 nan 8.290 nan 0.000 0.560 357 W N -0.896 120.360 121.300 -0.072 0.000 5.014 357 W HA 0.346 5.006 4.660 -0.000 0.000 0.183 357 W C 1.864 178.322 176.519 -0.103 0.000 1.511 357 W CA 0.388 57.690 57.345 -0.072 0.000 2.181 357 W CB -0.655 28.800 29.460 -0.008 0.000 0.906 357 W HN 0.123 nan 8.180 nan 0.000 0.985 358 L N 2.301 123.416 121.223 -0.180 0.000 2.013 358 L HA -0.329 4.011 4.340 -0.000 0.000 0.239 358 L C 2.205 178.754 176.870 -0.535 0.000 1.100 358 L CA 3.349 57.889 54.840 -0.500 0.000 0.826 358 L CB -1.485 40.649 42.059 0.125 0.000 0.921 358 L HN 0.310 nan 8.230 nan 0.000 0.445 359 I N -0.628 119.709 120.570 -0.388 0.000 2.065 359 I HA -0.334 3.836 4.170 -0.000 0.000 0.236 359 I C -0.176 175.630 176.117 -0.518 0.000 1.028 359 I CA 2.315 63.354 61.300 -0.434 0.000 1.299 359 I CB -1.896 35.779 38.000 -0.541 0.000 1.015 359 I HN 0.324 nan 8.210 nan 0.000 0.396 360 P HA -0.185 nan 4.420 nan 0.000 0.216 360 P C 1.057 178.174 177.300 -0.306 0.000 1.150 360 P CA 1.225 64.001 63.100 -0.541 0.000 0.843 360 P CB -0.056 31.265 31.700 -0.631 0.000 0.787 364 M N 0.579 120.159 119.600 -0.033 0.000 2.659 364 M HA 0.100 4.580 4.480 -0.000 0.000 0.243 364 M C 0.289 176.645 176.300 0.094 0.000 1.111 364 M CA 0.518 55.859 55.300 0.068 0.000 1.070 364 M CB 0.047 32.740 32.600 0.155 0.000 1.525 364 M HN 0.311 nan 8.290 nan 0.000 0.517 365 S N 0.195 115.926 115.700 0.051 0.000 3.791 365 S HA -0.178 4.292 4.470 -0.000 0.000 0.393 365 S C -0.485 174.178 174.600 0.106 0.000 0.936 365 S CA 0.153 58.385 58.200 0.053 0.000 1.234 365 S CB -2.034 61.183 63.200 0.027 0.000 0.891 365 S HN 0.465 nan 8.310 nan 0.000 0.519 366 Y N 2.694 122.994 120.300 -0.001 0.000 2.377 366 Y HA 0.283 4.833 4.550 -0.000 0.000 0.330 366 Y C -0.865 175.063 175.900 0.048 0.000 1.108 366 Y CA -1.379 56.752 58.100 0.053 0.000 1.308 366 Y CB 0.651 39.164 38.460 0.088 0.000 1.216 366 Y HN 0.151 nan 8.280 nan 0.000 0.518 367 P HA -0.046 nan 4.420 nan 0.000 0.279 367 P C -0.095 177.229 177.300 0.039 0.000 1.451 367 P CA 0.813 63.892 63.100 -0.034 0.000 0.783 367 P CB -0.198 31.431 31.700 -0.118 0.000 1.490 368 L N -0.117 121.196 121.223 0.151 0.000 2.968 368 L HA 0.155 4.495 4.340 -0.000 0.000 0.235 368 L C 1.023 177.967 176.870 0.124 0.000 1.323 368 L CA 0.055 54.992 54.840 0.162 0.000 1.159 368 L CB -0.370 41.855 42.059 0.276 0.000 1.523 368 L HN -0.081 nan 8.230 nan 0.000 0.468 369 S N -0.548 115.204 115.700 0.087 0.000 2.622 369 S HA 0.101 4.571 4.470 -0.000 0.000 0.236 369 S C 1.337 175.970 174.600 0.056 0.000 0.956 369 S CA -0.147 58.099 58.200 0.076 0.000 0.971 369 S CB 0.025 63.264 63.200 0.064 0.000 0.782 369 S HN 0.385 nan 8.310 nan 0.000 0.468 370 E N 0.312 120.543 120.200 0.052 0.000 2.452 370 E HA 0.153 4.503 4.350 -0.000 0.000 0.197 370 E C 1.703 178.328 176.600 0.043 0.000 1.022 370 E CA 0.518 56.941 56.400 0.038 0.000 0.890 370 E CB 0.379 30.094 29.700 0.025 0.000 0.918 370 E HN 0.552 nan 8.360 nan 0.000 0.496 371 G N 1.801 110.636 108.800 0.058 0.000 2.498 371 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.229 371 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.229 371 G C 0.549 175.486 174.900 0.062 0.000 1.156 371 G CA 0.798 45.933 45.100 0.059 0.000 0.680 371 G HN 0.351 nan 8.290 nan 0.000 0.512 372 Q N -0.377 119.454 119.800 0.051 0.000 2.892 372 Q HA 0.851 5.191 4.340 -0.000 0.000 0.307 372 Q C -1.539 174.482 176.000 0.035 0.000 1.039 372 Q CA -1.092 54.740 55.803 0.049 0.000 0.792 372 Q CB 1.934 30.695 28.738 0.038 0.000 1.504 372 Q HN 1.137 nan 8.270 nan 0.000 0.487 373 L N 2.101 123.340 121.223 0.027 0.000 2.661 373 L HA 0.270 4.610 4.340 -0.000 0.000 0.263 373 L C -1.213 175.656 176.870 -0.002 0.000 0.956 373 L CA -0.211 54.624 54.840 -0.008 0.000 0.918 373 L CB 1.437 43.466 42.059 -0.049 0.000 1.280 373 L HN 0.819 nan 8.230 nan 0.000 0.416 374 D N 2.378 122.774 120.400 -0.006 0.000 2.346 374 D HA -0.099 4.541 4.640 -0.000 0.000 0.236 374 D C 0.373 176.676 176.300 0.005 0.000 1.259 374 D CA -0.042 53.961 54.000 0.004 0.000 0.898 374 D CB 0.919 41.720 40.800 0.001 0.000 1.178 374 D HN 0.713 nan 8.370 nan 0.000 0.457 375 Q N -0.042 119.770 119.800 0.020 0.000 2.123 375 Q HA -0.122 4.218 4.340 -0.000 0.000 0.199 375 Q C 1.954 177.969 176.000 0.024 0.000 0.966 375 Q CA 1.520 57.342 55.803 0.033 0.000 0.845 375 Q CB 0.114 28.875 28.738 0.037 0.000 0.907 375 Q HN 0.458 nan 8.270 nan 0.000 0.439 376 K N -1.212 119.195 120.400 0.012 0.000 2.062 376 K HA -0.025 4.295 4.320 -0.000 0.000 0.205 376 K C 2.031 178.632 176.600 0.001 0.000 1.051 376 K CA 1.572 57.864 56.287 0.008 0.000 0.941 376 K CB 0.009 32.512 32.500 0.004 0.000 0.719 376 K HN 0.135 nan 8.250 nan 0.000 0.440 377 T N 0.998 115.543 114.554 -0.015 0.000 2.951 377 T HA -0.050 4.300 4.350 -0.000 0.000 0.268 377 T C 1.853 176.509 174.700 -0.072 0.000 1.073 377 T CA 1.052 63.132 62.100 -0.034 0.000 1.134 377 T CB -0.092 68.750 68.868 -0.044 0.000 0.884 377 T HN 0.276 nan 8.240 nan 0.000 0.479 378 A N 1.060 123.826 122.820 -0.091 0.000 2.067 378 A HA 0.053 4.373 4.320 -0.000 0.000 0.219 378 A C 2.229 179.806 177.584 -0.012 0.000 1.158 378 A CA 0.972 52.898 52.037 -0.185 0.000 0.661 378 A CB -0.495 18.447 19.000 -0.097 0.000 0.801 378 A HN 0.413 nan 8.150 nan 0.000 0.452 379 M N -1.896 117.735 119.600 0.051 0.000 2.171 379 M HA -0.044 4.436 4.480 -0.000 0.000 0.260 379 M C 2.473 178.859 176.300 0.144 0.000 1.087 379 M CA 1.462 56.830 55.300 0.113 0.000 1.154 379 M CB -0.651 31.988 32.600 0.064 0.000 1.331 379 M HN 0.419 nan 8.290 nan 0.000 0.431 380 S N 1.080 116.839 115.700 0.098 0.000 2.400 380 S HA -0.119 4.351 4.470 -0.000 0.000 0.232 380 S C 1.808 176.520 174.600 0.186 0.000 1.025 380 S CA 1.006 59.295 58.200 0.148 0.000 0.993 380 S CB -0.273 62.978 63.200 0.085 0.000 0.808 380 S HN 0.357 nan 8.310 nan 0.000 0.478 381 L N 0.481 121.763 121.223 0.098 0.000 2.023 381 L HA -0.015 4.325 4.340 -0.000 0.000 0.205 381 L C 2.296 179.324 176.870 0.263 0.000 1.073 381 L CA 1.280 56.166 54.840 0.077 0.000 0.745 381 L CB -0.374 41.619 42.059 -0.110 0.000 0.900 381 L HN 0.369 nan 8.230 nan 0.000 0.435 382 L N -0.462 120.998 121.223 0.395 0.000 2.129 382 L HA -0.305 4.035 4.340 -0.000 0.000 0.212 382 L C 2.137 179.269 176.870 0.436 0.000 1.087 382 L CA 1.941 57.094 54.840 0.522 0.000 0.757 382 L CB -0.814 41.560 42.059 0.526 0.000 0.896 382 L HN 0.466 nan 8.230 nan 0.000 0.434 383 W N 0.661 122.059 121.300 0.163 0.000 2.358 383 W HA -0.270 4.389 4.660 -0.000 0.000 0.303 383 W C 1.842 178.442 176.519 0.136 0.000 1.208 383 W CA 1.182 58.603 57.345 0.127 0.000 1.274 383 W CB 0.089 29.590 29.460 0.068 0.000 1.138 383 W HN 0.112 nan 8.180 nan 0.000 0.515 384 K N 0.385 120.823 120.400 0.063 0.000 2.555 384 K HA -0.020 4.300 4.320 -0.000 0.000 0.193 384 K C 1.356 177.963 176.600 0.012 0.000 1.032 384 K CA 0.851 57.083 56.287 -0.093 0.000 1.004 384 K CB -0.033 32.442 32.500 -0.042 0.000 0.804 384 K HN -0.102 nan 8.250 nan 0.000 0.496 385 S N -0.175 115.601 115.700 0.127 0.000 2.557 385 S HA 0.040 4.510 4.470 -0.000 0.000 0.223 385 S C 0.902 175.551 174.600 0.082 0.000 0.969 385 S CA -0.473 57.829 58.200 0.171 0.000 0.927 385 S CB -0.187 63.173 63.200 0.267 0.000 0.806 385 S HN 0.328 nan 8.310 nan 0.000 0.489 386 Y N 4.178 124.416 120.300 -0.103 0.000 2.069 386 Y HA -0.138 4.412 4.550 -0.000 0.000 0.278 386 Y C -0.907 174.937 175.900 -0.093 0.000 1.175 386 Y CA 1.738 59.758 58.100 -0.133 0.000 1.134 386 Y CB -1.104 37.153 38.460 -0.338 0.000 0.965 386 Y HN 0.225 nan 8.280 nan 0.000 0.498 387 P HA -0.139 nan 4.420 nan 0.000 0.236 387 P C 0.938 178.186 177.300 -0.086 0.000 1.172 387 P CA 1.514 64.594 63.100 -0.034 0.000 0.759 387 P CB -0.036 31.681 31.700 0.028 0.000 0.843 388 L N -1.217 119.945 121.223 -0.103 0.000 2.624 388 L HA 0.060 4.400 4.340 -0.000 0.000 0.222 388 L C 2.292 179.026 176.870 -0.225 0.000 1.046 388 L CA 0.373 55.134 54.840 -0.131 0.000 0.872 388 L CB 0.267 42.287 42.059 -0.066 0.000 1.190 388 L HN -0.197 nan 8.230 nan 0.000 0.487 389 V N -5.843 113.937 119.914 -0.224 0.000 3.379 389 V HA 0.171 4.291 4.120 -0.000 0.000 0.249 389 V C 0.993 176.950 176.094 -0.229 0.000 1.184 389 V CA -0.383 61.771 62.300 -0.243 0.000 1.106 389 V CB 0.249 31.946 31.823 -0.210 0.000 0.826 389 V HN 0.397 nan 8.190 nan 0.000 0.465 390 C N 1.566 120.613 119.300 -0.422 0.000 4.236 390 C HA -0.115 4.345 4.460 -0.000 0.000 0.311 390 C C 0.084 174.934 174.990 -0.232 0.000 1.225 390 C CA 0.216 58.819 59.018 -0.690 0.000 2.165 390 C CB -2.773 24.731 27.740 -0.393 0.000 1.316 390 C HN 0.662 nan 8.230 nan 0.000 0.670 391 I N 0.792 121.357 120.570 -0.008 0.000 2.498 391 I HA 0.623 4.793 4.170 -0.000 0.000 0.290 391 I C 0.658 177.083 176.117 0.513 0.000 1.032 391 I CA -0.346 61.033 61.300 0.133 0.000 1.073 391 I CB 1.503 39.541 38.000 0.064 0.000 1.251 391 I HN 0.462 nan 8.210 nan 0.000 0.426 392 A N 5.246 128.266 122.820 0.333 0.000 2.406 392 A HA 0.146 4.466 4.320 -0.000 0.000 0.243 392 A C 1.196 178.807 177.584 0.046 0.000 1.082 392 A CA -0.079 52.133 52.037 0.291 0.000 0.786 392 A CB 0.339 19.405 19.000 0.110 0.000 1.029 392 A HN 0.922 nan 8.150 nan 0.000 0.495 393 K N 0.120 120.257 120.400 -0.439 0.000 2.365 393 K HA -0.083 4.237 4.320 -0.000 0.000 0.199 393 K C 1.054 177.433 176.600 -0.367 0.000 1.045 393 K CA 1.417 57.245 56.287 -0.766 0.000 0.962 393 K CB 0.008 31.557 32.500 -1.586 0.000 0.759 393 K HN 0.876 nan 8.250 nan 0.000 0.469 394 E N 0.049 120.110 120.200 -0.232 0.000 2.445 394 E HA -0.032 4.318 4.350 -0.000 0.000 0.189 394 E C 1.143 177.686 176.600 -0.096 0.000 1.069 394 E CA 0.084 56.397 56.400 -0.146 0.000 0.871 394 E CB 0.241 29.874 29.700 -0.111 0.000 0.991 394 E HN 0.295 nan 8.360 nan 0.000 0.481 395 L N -0.111 121.061 121.223 -0.085 0.000 2.854 395 L HA 0.130 4.470 4.340 -0.000 0.000 0.249 395 L C 1.925 178.782 176.870 -0.021 0.000 1.091 395 L CA -0.234 54.569 54.840 -0.063 0.000 0.935 395 L CB 0.104 42.112 42.059 -0.085 0.000 1.367 395 L HN 0.079 nan 8.230 nan 0.000 0.524 396 I N 1.442 122.010 120.570 -0.003 0.000 2.113 396 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 396 I C -0.176 175.980 176.117 0.064 0.000 1.057 396 I CA 2.290 63.627 61.300 0.063 0.000 1.314 396 I CB -2.274 35.757 38.000 0.050 0.000 1.022 396 I HN 0.161 nan 8.210 nan 0.000 0.408 397 P HA -0.178 nan 4.420 nan 0.000 0.216 397 P C 1.746 179.077 177.300 0.052 0.000 1.153 397 P CA 1.503 64.621 63.100 0.030 0.000 0.858 397 P CB -0.010 31.687 31.700 -0.005 0.000 0.789 398 E N -0.657 119.564 120.200 0.035 0.000 2.023 398 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 398 E C 2.002 178.698 176.600 0.159 0.000 1.003 398 E CA 1.394 57.827 56.400 0.056 0.000 0.809 398 E CB -0.501 29.188 29.700 -0.019 0.000 0.755 398 E HN 0.067 nan 8.360 nan 0.000 0.449 399 A N 0.140 123.053 122.820 0.155 0.000 1.873 399 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 399 A C 2.368 180.085 177.584 0.221 0.000 1.186 399 A CA 1.960 54.152 52.037 0.257 0.000 0.616 399 A CB -0.960 18.130 19.000 0.151 0.000 0.823 399 A HN 0.312 nan 8.150 nan 0.000 0.442 400 T N -0.265 114.401 114.554 0.186 0.000 2.778 400 T HA -0.160 4.190 4.350 -0.000 0.000 0.269 400 T C 1.759 176.555 174.700 0.161 0.000 1.050 400 T CA 1.847 64.064 62.100 0.194 0.000 1.137 400 T CB -0.179 68.793 68.868 0.174 0.000 0.860 400 T HN 0.551 nan 8.240 nan 0.000 0.468 401 E N 0.530 120.802 120.200 0.121 0.000 2.371 401 E HA 0.050 4.400 4.350 -0.000 0.000 0.194 401 E C 1.987 178.610 176.600 0.037 0.000 1.012 401 E CA 0.631 57.077 56.400 0.077 0.000 0.860 401 E CB 0.001 29.737 29.700 0.060 0.000 0.811 401 E HN 0.248 nan 8.360 nan 0.000 0.502 402 K N -1.122 119.292 120.400 0.023 0.000 2.137 402 K HA -0.016 4.304 4.320 -0.000 0.000 0.202 402 K C 1.143 177.631 176.600 -0.187 0.000 1.052 402 K CA 1.117 57.293 56.287 -0.186 0.000 0.961 402 K CB -0.303 31.842 32.500 -0.592 0.000 0.741 402 K HN 0.138 nan 8.250 nan 0.000 0.452 403 Y N -0.414 119.797 120.300 -0.148 0.000 2.510 403 Y HA 0.260 4.810 4.550 -0.000 0.000 0.273 403 Y C 1.076 176.983 175.900 0.011 0.000 1.119 403 Y CA 0.546 58.609 58.100 -0.062 0.000 1.286 403 Y CB 0.543 39.013 38.460 0.017 0.000 1.061 403 Y HN -0.077 nan 8.280 nan 0.000 0.542 404 L N -2.171 119.150 121.223 0.162 0.000 2.966 404 L HA 0.324 4.664 4.340 -0.000 0.000 0.262 404 L C 2.125 179.037 176.870 0.070 0.000 1.165 404 L CA 0.295 55.212 54.840 0.129 0.000 0.978 404 L CB 0.240 42.400 42.059 0.168 0.000 1.337 404 L HN 0.061 nan 8.230 nan 0.000 0.563 405 G N 0.266 109.090 108.800 0.039 0.000 2.559 405 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.216 405 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.216 405 G C 1.109 176.012 174.900 0.005 0.000 1.126 405 G CA 0.632 45.743 45.100 0.018 0.000 0.778 405 G HN 0.401 nan 8.290 nan 0.000 0.543 406 G N 0.541 109.340 108.800 -0.001 0.000 2.751 406 G HA2 0.252 4.212 3.960 -0.000 0.000 0.142 406 G HA3 0.252 4.212 3.960 -0.000 0.000 0.142 406 G C 0.995 175.900 174.900 0.009 0.000 1.783 406 G CA 0.893 45.990 45.100 -0.006 0.000 1.018 406 G HN 0.650 nan 8.290 nan 0.000 0.474 407 T N -1.440 113.122 114.554 0.012 0.000 2.785 407 T HA 0.063 4.413 4.350 -0.000 0.000 0.341 407 T C 0.088 174.803 174.700 0.024 0.000 1.093 407 T CA 0.695 62.806 62.100 0.017 0.000 1.103 407 T CB 0.603 69.484 68.868 0.021 0.000 1.011 407 T HN 0.289 nan 8.240 nan 0.000 0.549 408 D N 0.442 120.855 120.400 0.022 0.000 2.525 408 D HA 0.152 4.792 4.640 -0.000 0.000 0.229 408 D C -0.341 175.974 176.300 0.026 0.000 1.202 408 D CA -0.224 53.790 54.000 0.024 0.000 0.828 408 D CB 0.116 40.926 40.800 0.018 0.000 1.008 408 D HN 0.575 nan 8.370 nan 0.000 0.493 409 D N 1.060 121.479 120.400 0.031 0.000 2.280 409 D HA 0.010 4.650 4.640 -0.000 0.000 0.243 409 D C 1.620 177.945 176.300 0.042 0.000 1.129 409 D CA -0.066 53.954 54.000 0.033 0.000 0.848 409 D CB 1.441 42.261 40.800 0.033 0.000 1.107 409 D HN 0.005 nan 8.370 nan 0.000 0.471 410 T N 0.287 114.863 114.554 0.037 0.000 2.962 410 T HA -0.092 4.258 4.350 -0.000 0.000 0.270 410 T C 1.807 176.538 174.700 0.052 0.000 1.088 410 T CA 0.811 62.935 62.100 0.041 0.000 1.127 410 T CB -0.093 68.793 68.868 0.030 0.000 0.883 410 T HN 0.197 nan 8.240 nan 0.000 0.493 411 V N 1.541 121.486 119.914 0.051 0.000 2.302 411 V HA -0.007 4.113 4.120 -0.000 0.000 0.243 411 V C 2.669 178.808 176.094 0.076 0.000 1.036 411 V CA 1.394 63.730 62.300 0.059 0.000 1.020 411 V CB -0.562 31.290 31.823 0.048 0.000 0.657 411 V HN 0.408 nan 8.190 nan 0.000 0.453 412 K N 0.167 120.608 120.400 0.069 0.000 2.360 412 K HA -0.170 4.150 4.320 -0.000 0.000 0.201 412 K C 2.096 178.762 176.600 0.110 0.000 1.046 412 K CA 1.109 57.444 56.287 0.080 0.000 0.940 412 K CB -0.127 32.410 32.500 0.062 0.000 0.748 412 K HN 0.467 nan 8.250 nan 0.000 0.465 413 K N 0.695 121.162 120.400 0.112 0.000 2.044 413 K HA -0.059 4.261 4.320 -0.000 0.000 0.204 413 K C 1.953 178.672 176.600 0.198 0.000 1.049 413 K CA 0.566 56.942 56.287 0.149 0.000 0.945 413 K CB 0.023 32.590 32.500 0.112 0.000 0.724 413 K HN -0.068 nan 8.250 nan 0.000 0.440 414 K N 1.364 121.857 120.400 0.156 0.000 2.442 414 K HA -0.207 4.113 4.320 -0.000 0.000 0.200 414 K C 0.389 177.130 176.600 0.235 0.000 1.045 414 K CA 1.522 57.918 56.287 0.182 0.000 0.937 414 K CB 0.101 32.680 32.500 0.131 0.000 0.757 414 K HN 0.172 nan 8.250 nan 0.000 0.474 415 D N -0.164 120.361 120.400 0.208 0.000 2.525 415 D HA 0.018 4.658 4.640 -0.000 0.000 0.248 415 D C 1.962 178.394 176.300 0.219 0.000 1.000 415 D CA 0.073 54.191 54.000 0.196 0.000 0.923 415 D CB -0.046 40.839 40.800 0.141 0.000 1.101 415 D HN 0.109 nan 8.370 nan 0.000 0.493 416 L N 0.652 122.007 121.223 0.220 0.000 2.131 416 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 416 L C 2.339 179.389 176.870 0.300 0.000 1.092 416 L CA 0.803 55.789 54.840 0.243 0.000 0.759 416 L CB -0.230 41.958 42.059 0.215 0.000 0.903 416 L HN -0.013 nan 8.230 nan 0.000 0.435 417 F N 0.228 120.279 119.950 0.168 0.000 2.293 417 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 417 F C 2.022 177.902 175.800 0.133 0.000 1.086 417 F CA 1.286 59.377 58.000 0.150 0.000 1.375 417 F CB 0.001 39.095 39.000 0.157 0.000 1.045 417 F HN -0.088 nan 8.300 nan 0.000 0.516 418 L N -0.272 121.056 121.223 0.176 0.000 2.023 418 L HA -0.168 4.172 4.340 -0.000 0.000 0.205 418 L C 2.023 178.920 176.870 0.045 0.000 1.073 418 L CA 1.314 56.228 54.840 0.123 0.000 0.745 418 L CB -0.896 41.320 42.059 0.261 0.000 0.900 418 L HN 0.003 nan 8.230 nan 0.000 0.435 419 D N 0.406 120.882 120.400 0.128 0.000 2.354 419 D HA -0.169 4.471 4.640 -0.000 0.000 0.216 419 D C 2.070 178.441 176.300 0.118 0.000 0.970 419 D CA 0.795 54.891 54.000 0.160 0.000 0.905 419 D CB 0.175 41.112 40.800 0.228 0.000 0.903 419 D HN 0.215 nan 8.370 nan 0.000 0.508 420 L N 0.823 121.997 121.223 -0.082 0.000 2.023 420 L HA -0.082 4.258 4.340 -0.000 0.000 0.205 420 L C 2.183 178.784 176.870 -0.448 0.000 1.073 420 L CA 1.148 55.708 54.840 -0.466 0.000 0.745 420 L CB -0.692 41.052 42.059 -0.526 0.000 0.900 420 L HN -0.060 nan 8.230 nan 0.000 0.435 421 I N 0.721 120.955 120.570 -0.559 0.000 2.179 421 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 421 I C 2.900 178.735 176.117 -0.470 0.000 1.088 421 I CA 1.168 62.059 61.300 -0.681 0.000 1.357 421 I CB -0.658 36.636 38.000 -1.175 0.000 1.051 421 I HN 0.302 nan 8.210 nan 0.000 0.409 422 A N 0.937 123.606 122.820 -0.253 0.000 1.903 422 A HA -0.311 4.009 4.320 -0.000 0.000 0.219 422 A C 1.872 179.501 177.584 0.074 0.000 1.191 422 A CA 2.595 54.662 52.037 0.050 0.000 0.638 422 A CB -0.831 18.239 19.000 0.117 0.000 0.823 422 A HN 0.399 nan 8.150 nan 0.000 0.451 423 D N -0.756 119.635 120.400 -0.016 0.000 2.178 423 D HA -0.056 4.584 4.640 -0.000 0.000 0.201 423 D C 1.833 177.982 176.300 -0.252 0.000 0.980 423 D CA 1.231 55.221 54.000 -0.016 0.000 0.842 423 D CB -0.232 40.671 40.800 0.170 0.000 0.948 423 D HN 0.271 nan 8.370 nan 0.000 0.472 424 V N 0.479 120.128 119.914 -0.441 0.000 2.788 424 V HA -0.095 4.025 4.120 -0.000 0.000 0.251 424 V C 2.129 177.947 176.094 -0.460 0.000 1.068 424 V CA 1.008 62.942 62.300 -0.611 0.000 1.090 424 V CB -0.286 31.117 31.823 -0.700 0.000 0.710 424 V HN 0.244 nan 8.190 nan 0.000 0.467 425 M N -1.570 117.783 119.600 -0.411 0.000 2.429 425 M HA 0.168 4.648 4.480 -0.000 0.000 0.265 425 M C 1.812 177.618 176.300 -0.822 0.000 1.120 425 M CA 1.800 56.701 55.300 -0.665 0.000 1.173 425 M CB -0.196 31.887 32.600 -0.863 0.000 1.343 425 M HN 0.358 nan 8.290 nan 0.000 0.464 426 F N -0.162 119.699 119.950 -0.149 0.000 2.522 426 F HA 0.424 4.951 4.527 -0.000 0.000 0.275 426 F C 2.500 178.224 175.800 -0.126 0.000 0.890 426 F CA 0.160 58.095 58.000 -0.107 0.000 1.157 426 F CB -1.606 37.370 39.000 -0.040 0.000 1.117 426 F HN 0.081 nan 8.300 nan 0.000 0.787 427 G N 1.798 110.677 108.800 0.132 0.000 2.875 427 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.220 427 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.220 427 G C 1.673 176.556 174.900 -0.028 0.000 1.293 427 G CA 2.759 47.877 45.100 0.031 0.000 0.789 427 G HN 0.197 nan 8.290 nan 0.000 0.677 428 V N 2.337 122.221 119.914 -0.051 0.000 2.252 428 V HA -0.153 3.966 4.120 -0.000 0.000 0.249 428 V C 0.491 176.522 176.094 -0.104 0.000 1.056 428 V CA 2.533 64.802 62.300 -0.053 0.000 1.022 428 V CB -1.682 30.089 31.823 -0.088 0.000 0.641 428 V HN 0.346 nan 8.190 nan 0.000 0.445 429 P HA -0.120 nan 4.420 nan 0.000 0.216 429 P C 2.007 179.224 177.300 -0.138 0.000 1.153 429 P CA 1.964 64.957 63.100 -0.179 0.000 0.858 429 P CB -0.093 31.465 31.700 -0.236 0.000 0.789 430 S N -0.626 115.000 115.700 -0.124 0.000 2.344 430 S HA -0.120 4.350 4.470 -0.000 0.000 0.217 430 S C 2.028 176.520 174.600 -0.179 0.000 1.033 430 S CA 1.528 59.639 58.200 -0.148 0.000 1.017 430 S CB -1.402 61.712 63.200 -0.144 0.000 0.941 430 S HN -0.068 nan 8.310 nan 0.000 0.430 431 V N 2.553 122.369 119.914 -0.164 0.000 2.317 431 V HA -0.236 3.884 4.120 -0.000 0.000 0.251 431 V C 2.098 178.141 176.094 -0.084 0.000 1.065 431 V CA 1.742 63.945 62.300 -0.161 0.000 1.049 431 V CB -0.882 30.895 31.823 -0.078 0.000 0.651 431 V HN 0.441 nan 8.190 nan 0.000 0.450 432 I N -0.460 120.077 120.570 -0.055 0.000 2.264 432 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 432 I C 2.370 178.473 176.117 -0.022 0.000 1.111 432 I CA 1.246 62.532 61.300 -0.024 0.000 1.382 432 I CB -0.362 37.610 38.000 -0.047 0.000 1.060 432 I HN 0.176 nan 8.210 nan 0.000 0.418 433 V N 0.887 120.766 119.914 -0.058 0.000 2.427 433 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 433 V C 2.678 178.762 176.094 -0.016 0.000 1.051 433 V CA 1.862 64.147 62.300 -0.025 0.000 1.048 433 V CB -0.771 31.023 31.823 -0.048 0.000 0.666 433 V HN 0.482 nan 8.190 nan 0.000 0.456 434 A N 0.212 122.953 122.820 -0.132 0.000 1.877 434 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 434 A C 2.353 179.973 177.584 0.060 0.000 1.186 434 A CA 1.822 53.737 52.037 -0.203 0.000 0.620 434 A CB -0.467 18.195 19.000 -0.562 0.000 0.822 434 A HN 0.522 nan 8.150 nan 0.000 0.443 435 R N -0.346 120.238 120.500 0.140 0.000 2.092 435 R HA -0.066 4.274 4.340 -0.000 0.000 0.231 435 R C 1.803 178.202 176.300 0.166 0.000 1.119 435 R CA 1.461 57.713 56.100 0.253 0.000 0.970 435 R CB -0.461 29.964 30.300 0.208 0.000 0.864 435 R HN 0.664 nan 8.270 nan 0.000 0.440 436 N N -0.362 118.410 118.700 0.121 0.000 2.381 436 N HA -0.154 4.586 4.740 -0.000 0.000 0.182 436 N C 1.538 177.122 175.510 0.124 0.000 1.025 436 N CA 0.495 53.603 53.050 0.096 0.000 0.888 436 N CB -0.001 38.525 38.487 0.064 0.000 0.965 436 N HN 0.281 nan 8.380 nan 0.000 0.438 437 H N 1.259 120.386 119.070 0.094 0.000 2.317 437 H HA 0.084 4.640 4.556 -0.000 0.000 0.304 437 H C 2.266 177.657 175.328 0.105 0.000 1.067 437 H CA 1.189 57.312 56.048 0.125 0.000 1.352 437 H CB 0.162 30.027 29.762 0.173 0.000 1.398 437 H HN -0.054 nan 8.280 nan 0.000 0.510 438 R N 0.612 121.247 120.500 0.224 0.000 2.083 438 R HA -0.156 4.184 4.340 -0.000 0.000 0.237 438 R C 1.226 177.561 176.300 0.059 0.000 1.137 438 R CA 2.066 58.251 56.100 0.142 0.000 0.951 438 R CB -0.364 30.043 30.300 0.179 0.000 0.851 438 R HN 0.413 nan 8.270 nan 0.000 0.434 439 D N 0.436 120.873 120.400 0.062 0.000 2.221 439 D HA -0.148 4.492 4.640 -0.000 0.000 0.204 439 D C 1.393 177.696 176.300 0.005 0.000 0.982 439 D CA 1.440 55.459 54.000 0.031 0.000 0.857 439 D CB -0.062 40.759 40.800 0.035 0.000 0.934 439 D HN 0.456 nan 8.370 nan 0.000 0.475 440 A N -0.275 122.532 122.820 -0.021 0.000 2.238 440 A HA 0.362 4.682 4.320 -0.000 0.000 0.208 440 A C 1.773 179.330 177.584 -0.046 0.000 1.177 440 A CA 1.047 53.057 52.037 -0.044 0.000 0.804 440 A CB -0.176 18.771 19.000 -0.090 0.000 0.823 440 A HN 0.244 nan 8.150 nan 0.000 0.482 441 G N -2.098 106.683 108.800 -0.031 0.000 2.143 441 G HA2 0.073 4.032 3.960 -0.000 0.000 0.249 441 G HA3 0.073 4.032 3.960 -0.000 0.000 0.249 441 G C 0.367 175.255 174.900 -0.020 0.000 0.981 441 G CA 0.391 45.482 45.100 -0.016 0.000 0.665 441 G HN 1.583 nan 8.290 nan 0.000 0.528 442 A N 0.057 122.841 122.820 -0.060 0.000 2.293 442 A HA 0.819 5.139 4.320 -0.000 0.000 0.302 442 A C -1.919 175.732 177.584 0.111 0.000 1.119 442 A CA -1.427 50.590 52.037 -0.032 0.000 0.823 442 A CB 0.825 19.651 19.000 -0.290 0.000 1.097 442 A HN 0.109 nan 8.150 nan 0.000 0.491 443 P HA 0.251 nan 4.420 nan 0.000 0.265 443 P C -0.587 176.797 177.300 0.139 0.000 1.193 443 P CA 0.695 63.842 63.100 0.078 0.000 0.765 443 P CB 0.749 32.521 31.700 0.120 0.000 0.823 444 T N 2.349 116.819 114.554 -0.141 0.000 2.933 444 T HA 0.556 4.906 4.350 -0.000 0.000 0.305 444 T C -1.351 173.113 174.700 -0.393 0.000 1.092 444 T CA -0.348 61.692 62.100 -0.100 0.000 1.008 444 T CB 0.865 69.811 68.868 0.131 0.000 1.102 444 T HN 0.093 nan 8.240 nan 0.000 0.469 445 Y N 1.054 121.313 120.300 -0.069 0.000 2.470 445 Y HA 0.673 5.223 4.550 -0.000 0.000 0.341 445 Y C -0.157 175.719 175.900 -0.041 0.000 1.021 445 Y CA -1.109 56.940 58.100 -0.084 0.000 1.025 445 Y CB 1.981 40.121 38.460 -0.533 0.000 1.266 445 Y HN 0.482 nan 8.280 nan 0.000 0.448 446 M N 3.095 122.943 119.600 0.413 0.000 2.796 446 M HA 0.647 5.127 4.480 -0.000 0.000 0.303 446 M C -1.521 175.107 176.300 0.546 0.000 1.240 446 M CA -1.096 54.335 55.300 0.219 0.000 0.831 446 M CB 3.188 35.701 32.600 -0.145 0.000 1.750 446 M HN 0.726 nan 8.290 nan 0.000 0.484 447 Y N -1.513 118.897 120.300 0.184 0.000 2.662 447 Y HA 0.621 5.171 4.550 -0.000 0.000 0.334 447 Y C -1.916 174.053 175.900 0.115 0.000 1.185 447 Y CA -1.047 57.127 58.100 0.124 0.000 1.074 447 Y CB 1.332 39.825 38.460 0.055 0.000 1.330 447 Y HN 0.721 nan 8.280 nan 0.000 0.458 448 E N 2.949 123.285 120.200 0.227 0.000 2.265 448 E HA 0.324 4.674 4.350 -0.000 0.000 0.262 448 E C -2.156 174.681 176.600 0.394 0.000 0.889 448 E CA -0.842 55.652 56.400 0.155 0.000 0.789 448 E CB 1.180 30.946 29.700 0.109 0.000 1.221 448 E HN 0.607 nan 8.360 nan 0.000 0.414 449 F N 3.775 123.895 119.950 0.283 0.000 2.471 449 F HA 0.183 4.710 4.527 -0.000 0.000 0.365 449 F C -0.008 175.909 175.800 0.195 0.000 1.095 449 F CA 0.075 58.243 58.000 0.279 0.000 1.174 449 F CB 0.808 40.002 39.000 0.323 0.000 1.105 449 F HN 0.474 nan 8.300 nan 0.000 0.535 450 Q N 6.702 126.400 119.800 -0.171 0.000 2.815 450 Q HA 0.214 4.554 4.340 -0.000 0.000 0.329 450 Q C -1.645 174.209 176.000 -0.243 0.000 1.037 450 Q CA -0.301 55.420 55.803 -0.136 0.000 1.002 450 Q CB 1.078 29.800 28.738 -0.026 0.000 1.274 450 Q HN 0.658 nan 8.270 nan 0.000 0.452 451 Y N -0.240 119.710 120.300 -0.584 0.000 2.552 451 Y HA 0.405 4.955 4.550 -0.000 0.000 0.337 451 Y C -1.597 174.184 175.900 -0.197 0.000 1.094 451 Y CA -1.164 56.654 58.100 -0.470 0.000 1.028 451 Y CB 1.597 39.622 38.460 -0.724 0.000 1.321 451 Y HN 0.198 nan 8.280 nan 0.000 0.456 452 R N 6.787 126.697 120.500 -0.983 0.000 2.272 452 R HA 0.464 4.804 4.340 -0.000 0.000 0.323 452 R C -2.810 173.056 176.300 -0.722 0.000 1.002 452 R CA -2.103 53.640 56.100 -0.594 0.000 0.900 452 R CB 0.950 30.992 30.300 -0.430 0.000 1.151 452 R HN 0.441 nan 8.270 nan 0.000 0.507 453 P HA -0.060 nan 4.420 nan 0.000 0.265 453 P C 0.410 177.442 177.300 -0.447 0.000 1.193 453 P CA 0.181 63.171 63.100 -0.183 0.000 0.765 453 P CB 1.586 33.288 31.700 0.004 0.000 0.823 454 S N 3.038 118.321 115.700 -0.695 0.000 2.399 454 S HA -0.154 4.316 4.470 -0.000 0.000 0.231 454 S C 0.814 175.043 174.600 -0.619 0.000 1.022 454 S CA 0.561 58.359 58.200 -0.669 0.000 0.983 454 S CB -1.205 61.564 63.200 -0.719 0.000 0.803 454 S HN 0.383 nan 8.310 nan 0.000 0.480 455 F N 2.856 122.621 119.950 -0.309 0.000 2.619 455 F HA 0.661 5.188 4.527 -0.000 0.000 0.350 455 F C 0.365 175.969 175.800 -0.328 0.000 1.259 455 F CA -0.712 57.092 58.000 -0.326 0.000 1.204 455 F CB -0.633 38.129 39.000 -0.398 0.000 1.556 455 F HN -0.062 nan 8.300 nan 0.000 0.650 456 S N 0.278 115.914 115.700 -0.105 0.000 2.549 456 S HA 0.395 4.865 4.470 -0.000 0.000 0.280 456 S C -0.322 174.203 174.600 -0.125 0.000 1.109 456 S CA -0.937 57.201 58.200 -0.103 0.000 0.905 456 S CB 1.881 64.974 63.200 -0.178 0.000 1.081 456 S HN 0.470 nan 8.310 nan 0.000 0.477 457 S N 1.323 116.952 115.700 -0.119 0.000 2.558 457 S HA -0.027 4.443 4.470 -0.000 0.000 0.293 457 S C 0.857 175.328 174.600 -0.215 0.000 1.292 457 S CA -0.206 57.929 58.200 -0.109 0.000 1.063 457 S CB 0.065 63.263 63.200 -0.002 0.000 0.831 457 S HN 0.657 nan 8.310 nan 0.000 0.499 458 D N 4.399 124.724 120.400 -0.126 0.000 2.218 458 D HA -0.157 4.483 4.640 -0.000 0.000 0.204 458 D C 1.395 177.598 176.300 -0.162 0.000 0.976 458 D CA 1.279 55.200 54.000 -0.131 0.000 0.853 458 D CB -0.161 40.595 40.800 -0.073 0.000 0.939 458 D HN 0.613 nan 8.370 nan 0.000 0.481 459 M N 0.163 119.678 119.600 -0.142 0.000 2.686 459 M HA -0.030 4.450 4.480 -0.000 0.000 0.246 459 M C 0.870 176.963 176.300 -0.346 0.000 1.096 459 M CA 0.417 55.657 55.300 -0.101 0.000 1.076 459 M CB 0.024 32.682 32.600 0.098 0.000 1.504 459 M HN -0.205 nan 8.290 nan 0.000 0.524 460 K N 2.863 122.860 120.400 -0.672 0.000 2.248 460 K HA 0.261 4.581 4.320 -0.000 0.000 0.281 460 K C -2.339 173.952 176.600 -0.515 0.000 1.054 460 K CA -1.810 53.834 56.287 -1.072 0.000 0.903 460 K CB 0.935 32.700 32.500 -1.226 0.000 1.077 460 K HN -0.104 nan 8.250 nan 0.000 0.474 461 P HA 0.003 nan 4.420 nan 0.000 0.267 461 P C -0.558 176.644 177.300 -0.164 0.000 1.209 461 P CA -0.175 62.818 63.100 -0.178 0.000 0.763 461 P CB 0.724 32.379 31.700 -0.075 0.000 0.816 462 K N 1.465 121.781 120.400 -0.140 0.000 2.616 462 K HA -0.038 4.282 4.320 -0.000 0.000 0.192 462 K C 1.220 177.762 176.600 -0.097 0.000 1.031 462 K CA 0.864 57.072 56.287 -0.131 0.000 1.004 462 K CB -1.268 31.161 32.500 -0.118 0.000 0.810 462 K HN 0.537 nan 8.250 nan 0.000 0.497 463 T N -2.653 111.860 114.554 -0.069 0.000 3.044 463 T HA 0.098 4.448 4.350 -0.000 0.000 0.250 463 T C 0.686 175.371 174.700 -0.024 0.000 1.081 463 T CA -0.342 61.735 62.100 -0.038 0.000 1.040 463 T CB 0.062 68.923 68.868 -0.011 0.000 0.962 463 T HN -0.081 nan 8.240 nan 0.000 0.506 464 V N 2.668 122.565 119.914 -0.028 0.000 2.364 464 V HA 0.483 4.603 4.120 -0.000 0.000 0.272 464 V C -0.088 175.994 176.094 -0.021 0.000 1.036 464 V CA -0.901 61.403 62.300 0.006 0.000 0.880 464 V CB 0.743 32.599 31.823 0.054 0.000 0.991 464 V HN 0.425 nan 8.190 nan 0.000 0.460 465 I N 3.553 124.114 120.570 -0.015 0.000 2.441 465 I HA 0.637 4.807 4.170 -0.000 0.000 0.295 465 I C 1.015 177.141 176.117 0.014 0.000 0.994 465 I CA -0.397 60.873 61.300 -0.051 0.000 1.144 465 I CB 1.785 39.734 38.000 -0.084 0.000 1.314 465 I HN 0.826 nan 8.210 nan 0.000 0.445 466 G N 3.842 112.665 108.800 0.039 0.000 2.289 466 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.280 466 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.280 466 G C -0.091 174.929 174.900 0.201 0.000 1.089 466 G CA 0.244 45.440 45.100 0.160 0.000 0.939 466 G HN 0.750 nan 8.290 nan 0.000 0.499 467 D N -0.648 119.881 120.400 0.215 0.000 2.113 467 D HA 0.222 4.862 4.640 -0.000 0.000 0.255 467 D C 0.909 177.366 176.300 0.261 0.000 1.225 467 D CA -0.073 54.070 54.000 0.238 0.000 0.972 467 D CB 0.218 41.195 40.800 0.294 0.000 1.208 467 D HN 0.390 nan 8.370 nan 0.000 0.526 468 H N -1.710 117.455 119.070 0.158 0.000 2.668 468 H HA 0.428 4.984 4.556 -0.000 0.000 0.303 468 H C 0.831 176.251 175.328 0.153 0.000 1.074 468 H CA 0.858 56.961 56.048 0.092 0.000 1.406 468 H CB 0.400 30.204 29.762 0.071 0.000 1.442 468 H HN 0.541 nan 8.280 nan 0.000 0.482 469 G N 4.493 113.131 108.800 -0.271 0.000 2.148 469 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.254 469 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.254 469 G C 0.933 175.793 174.900 -0.067 0.000 0.981 469 G CA 0.492 45.394 45.100 -0.330 0.000 0.670 469 G HN 0.662 nan 8.290 nan 0.000 0.528 470 D N 0.840 121.371 120.400 0.218 0.000 2.219 470 D HA -0.046 4.594 4.640 -0.000 0.000 0.205 470 D C 2.432 178.941 176.300 0.348 0.000 0.970 470 D CA 1.216 55.520 54.000 0.506 0.000 0.851 470 D CB -0.089 41.078 40.800 0.611 0.000 0.943 470 D HN 0.752 nan 8.370 nan 0.000 0.488 471 E N 1.505 121.612 120.200 -0.155 0.000 2.265 471 E HA -0.156 4.194 4.350 -0.000 0.000 0.196 471 E C 2.241 178.584 176.600 -0.429 0.000 0.996 471 E CA 0.287 56.129 56.400 -0.931 0.000 0.832 471 E CB -0.676 28.523 29.700 -0.835 0.000 0.756 471 E HN 0.319 nan 8.360 nan 0.000 0.491 472 L N 0.044 121.091 121.223 -0.294 0.000 1.963 472 L HA -0.228 4.111 4.340 -0.000 0.000 0.220 472 L C 2.791 179.494 176.870 -0.277 0.000 1.076 472 L CA 2.207 56.841 54.840 -0.343 0.000 0.772 472 L CB -0.982 40.701 42.059 -0.628 0.000 0.892 472 L HN 0.043 nan 8.230 nan 0.000 0.435 473 F N 0.043 120.009 119.950 0.026 0.000 2.176 473 F HA -0.289 4.238 4.527 -0.000 0.000 0.301 473 F C 2.702 178.547 175.800 0.076 0.000 1.071 473 F CA 1.488 59.524 58.000 0.061 0.000 1.289 473 F CB -0.932 38.199 39.000 0.217 0.000 1.028 473 F HN 0.064 nan 8.300 nan 0.000 0.494 474 S N -0.023 115.773 115.700 0.159 0.000 2.345 474 S HA -0.105 4.365 4.470 -0.000 0.000 0.219 474 S C 2.299 176.813 174.600 -0.144 0.000 1.031 474 S CA 1.110 59.328 58.200 0.030 0.000 0.984 474 S CB -0.575 62.587 63.200 -0.065 0.000 0.874 474 S HN 0.142 nan 8.310 nan 0.000 0.451 475 V N 0.984 120.714 119.914 -0.306 0.000 2.255 475 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 475 V C 1.623 177.556 176.094 -0.269 0.000 1.051 475 V CA 1.675 63.709 62.300 -0.443 0.000 1.018 475 V CB -0.732 30.840 31.823 -0.417 0.000 0.641 475 V HN 0.430 nan 8.190 nan 0.000 0.445 476 F N 0.915 120.724 119.950 -0.235 0.000 2.769 476 F HA 0.412 4.939 4.527 -0.000 0.000 0.304 476 F C 1.648 177.389 175.800 -0.098 0.000 1.158 476 F CA 0.344 58.234 58.000 -0.183 0.000 1.398 476 F CB -0.828 38.033 39.000 -0.231 0.000 1.094 476 F HN 0.273 nan 8.300 nan 0.000 0.553 477 G N 0.900 109.755 108.800 0.090 0.000 2.370 477 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.293 477 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.293 477 G C 1.141 176.228 174.900 0.311 0.000 0.992 477 G CA 0.262 45.503 45.100 0.235 0.000 1.247 477 G HN 0.596 nan 8.290 nan 0.000 0.505 478 A N 1.125 124.064 122.820 0.197 0.000 1.898 478 A HA 0.203 4.523 4.320 -0.000 0.000 0.216 478 A C 0.709 178.296 177.584 0.006 0.000 1.181 478 A CA 1.947 54.001 52.037 0.027 0.000 0.620 478 A CB -0.730 18.191 19.000 -0.132 0.000 0.819 478 A HN 0.490 nan 8.150 nan 0.000 0.442 479 P HA -0.186 nan 4.420 nan 0.000 0.218 479 P C 0.633 177.728 177.300 -0.342 0.000 1.150 479 P CA 1.268 64.286 63.100 -0.137 0.000 0.841 479 P CB -0.194 31.265 31.700 -0.403 0.000 0.784 480 F N -2.828 117.164 119.950 0.069 0.000 2.789 480 F HA 0.133 4.660 4.527 -0.000 0.000 0.300 480 F C 1.835 177.690 175.800 0.093 0.000 1.132 480 F CA 0.592 58.653 58.000 0.102 0.000 1.404 480 F CB -0.663 38.428 39.000 0.152 0.000 1.114 480 F HN -0.153 nan 8.300 nan 0.000 0.584 481 L N -1.441 119.892 121.223 0.183 0.000 2.577 481 L HA 0.181 4.521 4.340 -0.000 0.000 0.225 481 L C 0.856 177.750 176.870 0.041 0.000 1.053 481 L CA 0.213 55.120 54.840 0.111 0.000 0.866 481 L CB -0.023 42.086 42.059 0.083 0.000 1.132 481 L HN -0.274 nan 8.230 nan 0.000 0.486 482 K N 1.400 121.791 120.400 -0.015 0.000 2.118 482 K HA 0.288 4.608 4.320 -0.000 0.000 0.264 482 K C -0.427 176.214 176.600 0.068 0.000 1.000 482 K CA -0.314 55.960 56.287 -0.022 0.000 0.929 482 K CB 1.320 33.701 32.500 -0.199 0.000 1.021 482 K HN 0.035 nan 8.250 nan 0.000 0.463 483 E N 0.157 120.403 120.200 0.077 0.000 2.301 483 E HA 0.237 4.587 4.350 -0.000 0.000 0.275 483 E C -0.190 176.463 176.600 0.088 0.000 1.030 483 E CA -0.272 56.171 56.400 0.071 0.000 0.852 483 E CB 1.029 30.758 29.700 0.047 0.000 1.060 483 E HN 0.746 nan 8.360 nan 0.000 0.401 484 G N 1.436 110.266 108.800 0.050 0.000 3.341 484 G HA2 0.054 4.014 3.960 -0.000 0.000 0.374 484 G HA3 0.054 4.014 3.960 -0.000 0.000 0.374 484 G C -0.603 174.303 174.900 0.011 0.000 0.885 484 G CA -0.137 44.974 45.100 0.018 0.000 0.740 484 G HN 0.664 nan 8.290 nan 0.000 0.390 485 A N 2.472 125.274 122.820 -0.030 0.000 2.513 485 A HA 0.951 5.271 4.320 -0.000 0.000 0.296 485 A C 0.300 177.832 177.584 -0.087 0.000 1.052 485 A CA 0.372 52.360 52.037 -0.082 0.000 0.714 485 A CB 0.815 19.815 19.000 -0.000 0.000 1.279 485 A HN 2.381 nan 8.150 nan 0.000 0.397 486 S N 1.204 116.844 115.700 -0.099 0.000 2.558 486 S HA 0.132 4.602 4.470 -0.000 0.000 0.291 486 S C 0.875 175.437 174.600 -0.063 0.000 1.306 486 S CA 0.565 58.725 58.200 -0.067 0.000 1.056 486 S CB 0.966 64.137 63.200 -0.048 0.000 0.836 486 S HN 0.957 nan 8.310 nan 0.000 0.504 487 E N 1.266 121.435 120.200 -0.051 0.000 2.265 487 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 487 E C 1.715 178.285 176.600 -0.051 0.000 0.996 487 E CA 1.652 58.023 56.400 -0.049 0.000 0.832 487 E CB -0.180 29.500 29.700 -0.032 0.000 0.756 487 E HN 0.842 nan 8.360 nan 0.000 0.491 488 E N 0.261 120.433 120.200 -0.047 0.000 2.072 488 E HA -0.229 4.121 4.350 -0.000 0.000 0.190 488 E C 1.874 178.405 176.600 -0.115 0.000 0.982 488 E CA 1.141 57.505 56.400 -0.059 0.000 0.803 488 E CB -0.092 29.594 29.700 -0.024 0.000 0.755 488 E HN 0.449 nan 8.360 nan 0.000 0.453 489 E N 0.263 120.408 120.200 -0.092 0.000 2.106 489 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 489 E C 2.201 178.744 176.600 -0.095 0.000 0.984 489 E CA 0.976 57.309 56.400 -0.111 0.000 0.806 489 E CB 0.009 29.701 29.700 -0.014 0.000 0.750 489 E HN 0.332 nan 8.360 nan 0.000 0.458 490 I N 0.477 120.981 120.570 -0.109 0.000 2.163 490 I HA -0.258 3.912 4.170 -0.000 0.000 0.240 490 I C 2.518 178.620 176.117 -0.025 0.000 1.081 490 I CA 0.795 62.004 61.300 -0.153 0.000 1.353 490 I CB -0.338 37.548 38.000 -0.190 0.000 1.054 490 I HN 0.049 nan 8.210 nan 0.000 0.407 491 R N 0.564 121.046 120.500 -0.030 0.000 2.117 491 R HA -0.191 4.149 4.340 -0.000 0.000 0.243 491 R C 2.231 178.516 176.300 -0.025 0.000 1.143 491 R CA 1.321 57.415 56.100 -0.010 0.000 0.968 491 R CB -0.967 29.316 30.300 -0.030 0.000 0.863 491 R HN 0.314 nan 8.270 nan 0.000 0.444 492 L N 0.610 121.785 121.223 -0.080 0.000 2.056 492 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 492 L C 2.457 179.322 176.870 -0.008 0.000 1.078 492 L CA 1.863 56.648 54.840 -0.091 0.000 0.749 492 L CB -0.792 41.102 42.059 -0.275 0.000 0.901 492 L HN 0.049 nan 8.230 nan 0.000 0.433 493 S N -0.655 115.062 115.700 0.028 0.000 2.353 493 S HA -0.248 4.222 4.470 -0.000 0.000 0.222 493 S C 2.092 176.721 174.600 0.049 0.000 1.035 493 S CA 1.676 59.923 58.200 0.078 0.000 1.025 493 S CB -0.249 63.075 63.200 0.207 0.000 0.902 493 S HN 0.522 nan 8.310 nan 0.000 0.440 494 K N 0.306 120.766 120.400 0.101 0.000 2.074 494 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 494 K C 2.323 178.912 176.600 -0.019 0.000 1.048 494 K CA 1.767 58.075 56.287 0.036 0.000 0.926 494 K CB -0.314 32.244 32.500 0.097 0.000 0.713 494 K HN 0.468 nan 8.250 nan 0.000 0.444 495 M N 0.797 120.385 119.600 -0.020 0.000 2.086 495 M HA -0.188 4.292 4.480 -0.000 0.000 0.261 495 M C 1.989 178.310 176.300 0.036 0.000 1.067 495 M CA 1.528 56.792 55.300 -0.060 0.000 1.116 495 M CB 0.052 32.642 32.600 -0.016 0.000 1.348 495 M HN -0.048 nan 8.290 nan 0.000 0.407 496 V N 0.753 120.681 119.914 0.024 0.000 2.237 496 V HA -0.326 3.794 4.120 -0.000 0.000 0.245 496 V C 2.371 178.382 176.094 -0.138 0.000 1.046 496 V CA 2.148 64.371 62.300 -0.128 0.000 1.007 496 V CB -0.796 30.728 31.823 -0.498 0.000 0.638 496 V HN 0.543 nan 8.190 nan 0.000 0.445 497 M N -0.587 118.906 119.600 -0.178 0.000 2.073 497 M HA -0.220 4.260 4.480 -0.000 0.000 0.258 497 M C 2.417 178.737 176.300 0.035 0.000 1.070 497 M CA 1.921 57.149 55.300 -0.121 0.000 1.103 497 M CB -0.642 31.867 32.600 -0.150 0.000 1.321 497 M HN 0.204 nan 8.290 nan 0.000 0.405 498 K N 0.157 120.571 120.400 0.023 0.000 2.001 498 K HA -0.157 4.163 4.320 -0.000 0.000 0.214 498 K C 1.895 178.591 176.600 0.160 0.000 1.050 498 K CA 1.835 58.142 56.287 0.033 0.000 0.934 498 K CB -0.801 31.655 32.500 -0.072 0.000 0.718 498 K HN 0.330 nan 8.250 nan 0.000 0.443 499 F N -0.089 119.963 119.950 0.169 0.000 2.063 499 F HA -0.308 4.219 4.527 -0.000 0.000 0.298 499 F C 2.605 178.602 175.800 0.328 0.000 1.109 499 F CA 1.084 59.259 58.000 0.291 0.000 1.212 499 F CB -0.242 39.056 39.000 0.496 0.000 0.973 499 F HN 0.279 nan 8.300 nan 0.000 0.480 500 W N -0.233 121.154 121.300 0.144 0.000 2.354 500 W HA -0.225 4.435 4.660 -0.000 0.000 0.315 500 W C 2.632 179.144 176.519 -0.012 0.000 1.206 500 W CA 0.789 58.122 57.345 -0.020 0.000 1.290 500 W CB -0.655 28.704 29.460 -0.167 0.000 1.152 500 W HN 0.016 nan 8.180 nan 0.000 0.489 501 A N 0.603 123.548 122.820 0.209 0.000 1.908 501 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 501 A C 1.737 179.370 177.584 0.082 0.000 1.181 501 A CA 1.801 53.891 52.037 0.089 0.000 0.627 501 A CB -1.092 17.940 19.000 0.053 0.000 0.818 501 A HN 0.277 nan 8.150 nan 0.000 0.445 502 N N -1.229 117.544 118.700 0.121 0.000 2.223 502 N HA -0.142 4.598 4.740 -0.000 0.000 0.185 502 N C 1.427 176.970 175.510 0.055 0.000 1.016 502 N CA 1.429 54.529 53.050 0.084 0.000 0.863 502 N CB -0.439 38.116 38.487 0.114 0.000 0.983 502 N HN 0.544 nan 8.380 nan 0.000 0.429 503 F N 1.721 121.619 119.950 -0.087 0.000 2.163 503 F HA 0.018 4.545 4.527 -0.000 0.000 0.297 503 F C 2.230 177.968 175.800 -0.103 0.000 1.094 503 F CA 1.024 58.921 58.000 -0.172 0.000 1.290 503 F CB -0.410 38.396 39.000 -0.324 0.000 1.017 503 F HN -0.012 nan 8.300 nan 0.000 0.483 504 A N 0.361 123.125 122.820 -0.094 0.000 1.972 504 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 504 A C 2.345 179.861 177.584 -0.114 0.000 1.169 504 A CA 1.487 53.451 52.037 -0.123 0.000 0.635 504 A CB -0.575 18.405 19.000 -0.033 0.000 0.810 504 A HN 0.435 nan 8.150 nan 0.000 0.446 505 R N -0.729 119.722 120.500 -0.082 0.000 2.052 505 R HA 0.012 4.352 4.340 -0.000 0.000 0.226 505 R C 0.966 177.214 176.300 -0.088 0.000 1.145 505 R CA 1.436 57.501 56.100 -0.058 0.000 0.952 505 R CB -0.138 30.148 30.300 -0.023 0.000 0.847 505 R HN 0.488 nan 8.270 nan 0.000 0.431 506 N N -1.419 117.214 118.700 -0.111 0.000 2.197 506 N HA 0.079 4.819 4.740 -0.000 0.000 0.201 506 N C 0.489 175.895 175.510 -0.172 0.000 1.148 506 N CA 0.841 53.829 53.050 -0.105 0.000 0.883 506 N CB 1.817 40.274 38.487 -0.050 0.000 1.012 506 N HN 0.371 nan 8.380 nan 0.000 0.507 507 G N 1.669 110.251 108.800 -0.364 0.000 2.147 507 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.244 507 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.244 507 G C -0.248 174.516 174.900 -0.227 0.000 1.005 507 G CA 0.057 44.775 45.100 -0.636 0.000 0.713 507 G HN 0.432 nan 8.290 nan 0.000 0.515 508 N N -0.408 118.237 118.700 -0.092 0.000 2.478 508 N HA 0.390 5.130 4.740 -0.000 0.000 0.291 508 N C -1.642 173.811 175.510 -0.095 0.000 1.090 508 N CA -1.299 51.727 53.050 -0.040 0.000 0.911 508 N CB 2.418 40.905 38.487 0.000 0.000 1.546 508 N HN -0.061 nan 8.380 nan 0.000 0.500 509 P HA -0.065 nan 4.420 nan 0.000 0.223 509 P C 0.206 177.624 177.300 0.197 0.000 1.151 509 P CA 0.610 63.623 63.100 -0.145 0.000 0.787 509 P CB 0.482 31.675 31.700 -0.846 0.000 0.788 510 N N 0.684 119.407 118.700 0.038 0.000 2.229 510 N HA 0.263 5.003 4.740 -0.000 0.000 0.242 510 N C 0.960 176.516 175.510 0.078 0.000 1.327 510 N CA 1.485 54.605 53.050 0.117 0.000 0.896 510 N CB -0.219 38.281 38.487 0.021 0.000 1.129 510 N HN 0.149 nan 8.380 nan 0.000 0.490 511 G N -0.354 108.482 108.800 0.060 0.000 2.351 511 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.472 511 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.472 511 G C -1.188 173.721 174.900 0.015 0.000 1.570 511 G CA -0.806 44.313 45.100 0.032 0.000 0.921 511 G HN 0.637 nan 8.290 nan 0.000 0.674 512 E N 0.442 120.655 120.200 0.021 0.000 2.652 512 E HA 0.348 4.698 4.350 -0.000 0.000 0.255 512 E C 1.236 177.829 176.600 -0.012 0.000 0.952 512 E CA 0.616 57.025 56.400 0.015 0.000 0.947 512 E CB 0.782 30.493 29.700 0.019 0.000 0.912 512 E HN 2.292 nan 8.360 nan 0.000 0.489 513 G N 3.055 111.844 108.800 -0.018 0.000 2.699 513 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.198 513 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.198 513 G C 0.010 174.861 174.900 -0.082 0.000 1.033 513 G CA -0.159 44.914 45.100 -0.044 0.000 0.728 513 G HN 0.427 nan 8.290 nan 0.000 0.484 514 L N 1.486 122.634 121.223 -0.125 0.000 2.332 514 L HA 0.682 5.022 4.340 -0.000 0.000 0.269 514 L C -1.663 175.198 176.870 -0.016 0.000 1.016 514 L CA -2.281 52.435 54.840 -0.205 0.000 0.809 514 L CB 0.895 42.574 42.059 -0.634 0.000 1.280 514 L HN -0.064 nan 8.230 nan 0.000 0.447 515 P HA 0.039 nan 4.420 nan 0.000 0.285 515 P C -1.212 176.270 177.300 0.303 0.000 1.282 515 P CA -0.186 63.023 63.100 0.182 0.000 0.778 515 P CB 0.241 32.055 31.700 0.189 0.000 1.222 516 H N -1.085 118.116 119.070 0.218 0.000 2.458 516 H HA 0.374 4.930 4.556 -0.000 0.000 0.330 516 H C -1.352 174.177 175.328 0.335 0.000 1.111 516 H CA -0.459 55.748 56.048 0.265 0.000 1.245 516 H CB 0.496 30.367 29.762 0.183 0.000 1.456 516 H HN 0.281 nan 8.280 nan 0.000 0.488 517 W N 9.346 130.451 121.300 -0.327 0.000 2.424 517 W HA 0.314 4.974 4.660 -0.000 0.000 0.318 517 W C -2.939 173.492 176.519 -0.145 0.000 1.016 517 W CA -3.068 54.183 57.345 -0.156 0.000 1.268 517 W CB 1.244 30.535 29.460 -0.281 0.000 1.297 517 W HN 0.556 nan 8.180 nan 0.000 0.428 518 P HA 0.072 nan 4.420 nan 0.000 0.274 518 P C -0.525 177.185 177.300 0.683 0.000 1.237 518 P CA 0.059 63.527 63.100 0.614 0.000 0.793 518 P CB 1.506 33.482 31.700 0.460 0.000 0.977 519 E N 1.258 121.745 120.200 0.479 0.000 2.313 519 E HA 0.012 4.362 4.350 -0.000 0.000 0.276 519 E C -0.806 175.868 176.600 0.124 0.000 1.031 519 E CA -0.607 55.855 56.400 0.104 0.000 0.857 519 E CB 0.226 29.890 29.700 -0.059 0.000 1.040 519 E HN 0.352 nan 8.360 nan 0.000 0.408 520 Y N 6.935 127.203 120.300 -0.053 0.000 2.758 520 Y HA -0.019 4.531 4.550 -0.000 0.000 0.351 520 Y C 0.214 176.121 175.900 0.012 0.000 1.214 520 Y CA -0.165 57.963 58.100 0.047 0.000 1.983 520 Y CB -0.761 37.725 38.460 0.044 0.000 2.062 520 Y HN 0.494 nan 8.280 nan 0.000 0.416 521 N N -0.182 118.442 118.700 -0.128 0.000 2.669 521 N HA 0.008 4.748 4.740 -0.000 0.000 0.306 521 N C 1.032 176.431 175.510 -0.185 0.000 1.352 521 N CA -0.133 52.852 53.050 -0.108 0.000 0.886 521 N CB 0.081 38.546 38.487 -0.037 0.000 1.107 521 N HN 0.254 nan 8.380 nan 0.000 0.534 522 Q N 0.047 119.788 119.800 -0.098 0.000 2.112 522 Q HA -0.093 4.247 4.340 -0.000 0.000 0.206 522 Q C 1.480 177.415 176.000 -0.108 0.000 0.987 522 Q CA 1.870 57.619 55.803 -0.090 0.000 0.858 522 Q CB -0.478 28.236 28.738 -0.040 0.000 0.905 522 Q HN 0.521 nan 8.270 nan 0.000 0.420 523 K N 0.775 121.127 120.400 -0.080 0.000 2.442 523 K HA -0.084 4.235 4.320 -0.000 0.000 0.198 523 K C 0.190 176.733 176.600 -0.094 0.000 1.044 523 K CA 0.338 56.593 56.287 -0.053 0.000 0.948 523 K CB 0.027 32.522 32.500 -0.008 0.000 0.762 523 K HN 0.269 nan 8.250 nan 0.000 0.472 524 E N -0.679 119.363 120.200 -0.263 0.000 2.320 524 E HA -0.159 4.191 4.350 -0.000 0.000 0.234 524 E C 0.030 176.586 176.600 -0.073 0.000 1.183 524 E CA 0.143 56.224 56.400 -0.532 0.000 0.713 524 E CB -1.645 27.850 29.700 -0.342 0.000 1.226 524 E HN 0.501 nan 8.360 nan 0.000 0.382 525 G N 0.658 109.495 108.800 0.062 0.000 2.539 525 G HA2 0.439 4.399 3.960 -0.000 0.000 0.258 525 G HA3 0.439 4.399 3.960 -0.000 0.000 0.258 525 G C -0.444 174.777 174.900 0.536 0.000 1.202 525 G CA 0.093 45.349 45.100 0.261 0.000 0.851 525 G HN 0.324 nan 8.290 nan 0.000 0.556 526 Y N -0.447 120.021 120.300 0.280 0.000 2.592 526 Y HA 0.622 5.172 4.550 -0.000 0.000 0.334 526 Y C -1.345 174.571 175.900 0.027 0.000 1.136 526 Y CA -1.741 56.517 58.100 0.263 0.000 1.042 526 Y CB 1.205 39.806 38.460 0.236 0.000 1.325 526 Y HN 0.597 nan 8.280 nan 0.000 0.457 527 L N 2.744 123.848 121.223 -0.198 0.000 2.375 527 L HA 0.463 4.803 4.340 -0.000 0.000 0.271 527 L C -0.262 176.488 176.870 -0.200 0.000 1.107 527 L CA -0.054 54.459 54.840 -0.545 0.000 0.806 527 L CB 1.538 42.714 42.059 -1.472 0.000 1.146 527 L HN 0.864 nan 8.230 nan 0.000 0.447 528 Q N 4.370 124.061 119.800 -0.181 0.000 2.560 528 Q HA 0.432 4.772 4.340 -0.000 0.000 0.238 528 Q C -0.997 174.999 176.000 -0.006 0.000 1.079 528 Q CA -0.211 55.591 55.803 -0.001 0.000 0.866 528 Q CB 0.458 29.179 28.738 -0.027 0.000 1.153 528 Q HN 0.621 nan 8.270 nan 0.000 0.530 529 I N 2.221 122.824 120.570 0.055 0.000 2.471 529 I HA 0.413 4.583 4.170 -0.000 0.000 0.286 529 I C 0.891 177.032 176.117 0.041 0.000 1.079 529 I CA 0.238 61.595 61.300 0.095 0.000 1.398 529 I CB 0.833 38.975 38.000 0.236 0.000 1.403 529 I HN 0.671 nan 8.210 nan 0.000 0.530 530 G N 3.433 112.209 108.800 -0.040 0.000 2.529 530 G HA2 0.409 4.369 3.960 -0.000 0.000 0.238 530 G HA3 0.409 4.369 3.960 -0.000 0.000 0.238 530 G C 0.271 175.097 174.900 -0.124 0.000 1.207 530 G CA 0.136 45.151 45.100 -0.142 0.000 0.928 530 G HN 0.515 nan 8.290 nan 0.000 0.495 531 A N -0.435 122.364 122.820 -0.035 0.000 1.969 531 A HA 0.154 4.474 4.320 -0.000 0.000 0.218 531 A C 0.921 178.482 177.584 -0.038 0.000 1.169 531 A CA 1.507 53.517 52.037 -0.046 0.000 0.635 531 A CB -0.385 18.660 19.000 0.076 0.000 0.810 531 A HN 0.515 nan 8.150 nan 0.000 0.445 532 N N 0.978 119.669 118.700 -0.016 0.000 2.844 532 N HA 0.142 4.882 4.740 -0.000 0.000 0.268 532 N C -1.187 174.321 175.510 -0.003 0.000 1.574 532 N CA -0.127 52.919 53.050 -0.007 0.000 0.838 532 N CB 0.716 39.202 38.487 -0.001 0.000 1.177 532 N HN 0.068 nan 8.380 nan 0.000 0.495 533 T N 2.416 116.972 114.554 0.004 0.000 2.871 533 T HA 0.027 4.377 4.350 -0.000 0.000 0.296 533 T C 0.554 175.260 174.700 0.011 0.000 0.998 533 T CA 0.288 62.396 62.100 0.014 0.000 1.162 533 T CB 0.295 69.201 68.868 0.063 0.000 0.947 533 T HN 0.452 nan 8.240 nan 0.000 0.536 534 Q N 1.074 120.858 119.800 -0.025 0.000 2.472 534 Q HA 0.633 4.973 4.340 -0.000 0.000 0.281 534 Q C -1.350 174.591 176.000 -0.098 0.000 0.997 534 Q CA -1.240 54.545 55.803 -0.029 0.000 0.828 534 Q CB 1.771 30.498 28.738 -0.019 0.000 1.443 534 Q HN 0.595 nan 8.270 nan 0.000 0.390 535 A N 1.007 123.779 122.820 -0.079 0.000 2.366 535 A HA 0.819 5.139 4.320 -0.000 0.000 0.249 535 A C -0.261 177.184 177.584 -0.232 0.000 1.084 535 A CA 0.561 52.508 52.037 -0.151 0.000 0.794 535 A CB 0.390 19.386 19.000 -0.007 0.000 1.034 535 A HN 1.155 nan 8.150 nan 0.000 0.491 536 A N 0.079 122.637 122.820 -0.437 0.000 2.583 536 A HA 0.769 5.089 4.320 -0.000 0.000 0.299 536 A C -0.873 176.502 177.584 -0.348 0.000 1.258 536 A CA -0.550 51.218 52.037 -0.448 0.000 0.682 536 A CB 0.882 19.491 19.000 -0.650 0.000 1.332 536 A HN 0.827 nan 8.150 nan 0.000 0.485 537 Q N -0.167 119.583 119.800 -0.083 0.000 2.501 537 Q HA 0.456 4.796 4.340 -0.000 0.000 0.288 537 Q C -1.415 174.824 176.000 0.397 0.000 1.051 537 Q CA -1.111 54.797 55.803 0.174 0.000 0.788 537 Q CB 1.932 30.724 28.738 0.089 0.000 1.469 537 Q HN 0.639 nan 8.270 nan 0.000 0.416 538 K N 1.447 122.042 120.400 0.325 0.000 5.095 538 K HA -0.221 4.099 4.320 -0.000 0.000 0.311 538 K C -0.700 176.050 176.600 0.249 0.000 0.785 538 K CA 0.071 56.508 56.287 0.250 0.000 0.935 538 K CB -0.822 31.767 32.500 0.148 0.000 1.912 538 K HN 0.357 nan 8.250 nan 0.000 0.396 539 L N 3.064 124.353 121.223 0.111 0.000 2.331 539 L HA 0.104 4.444 4.340 -0.000 0.000 0.278 539 L C 0.740 177.559 176.870 -0.085 0.000 1.106 539 L CA 0.337 55.009 54.840 -0.280 0.000 0.824 539 L CB 0.773 42.209 42.059 -1.039 0.000 1.142 539 L HN 0.424 nan 8.230 nan 0.000 0.443 540 K N 2.430 122.809 120.400 -0.035 0.000 3.013 540 K HA -0.313 4.007 4.320 -0.000 0.000 0.275 540 K C 1.077 177.731 176.600 0.089 0.000 1.086 540 K CA 1.308 57.619 56.287 0.041 0.000 0.814 540 K CB -1.329 31.186 32.500 0.024 0.000 1.212 540 K HN 0.981 nan 8.250 nan 0.000 0.468 541 D N 1.029 121.484 120.400 0.091 0.000 2.149 541 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 541 D C 1.665 178.034 176.300 0.115 0.000 0.990 541 D CA 1.486 55.552 54.000 0.110 0.000 0.839 541 D CB 0.195 41.060 40.800 0.108 0.000 0.948 541 D HN 0.488 nan 8.370 nan 0.000 0.460 542 K N -0.030 120.431 120.400 0.101 0.000 2.103 542 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 542 K C 2.112 178.799 176.600 0.145 0.000 1.052 542 K CA 1.019 57.362 56.287 0.093 0.000 0.945 542 K CB 0.180 32.707 32.500 0.045 0.000 0.722 542 K HN -0.044 nan 8.250 nan 0.000 0.443 543 E N 0.020 120.333 120.200 0.188 0.000 2.051 543 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 543 E C 1.837 178.722 176.600 0.474 0.000 0.991 543 E CA 1.267 57.880 56.400 0.355 0.000 0.799 543 E CB -0.147 29.814 29.700 0.436 0.000 0.748 543 E HN 0.025 nan 8.360 nan 0.000 0.449 544 V N 1.237 121.351 119.914 0.333 0.000 2.282 544 V HA -0.360 3.760 4.120 -0.000 0.000 0.249 544 V C 2.225 178.482 176.094 0.272 0.000 1.057 544 V CA 1.999 64.472 62.300 0.288 0.000 1.032 544 V CB -1.065 30.858 31.823 0.167 0.000 0.645 544 V HN 0.379 nan 8.190 nan 0.000 0.447 545 A N -0.137 122.809 122.820 0.211 0.000 1.841 545 A HA -0.285 4.035 4.320 -0.000 0.000 0.216 545 A C 2.133 179.812 177.584 0.158 0.000 1.199 545 A CA 2.254 54.386 52.037 0.159 0.000 0.621 545 A CB -0.919 18.158 19.000 0.128 0.000 0.835 545 A HN 0.537 nan 8.150 nan 0.000 0.445 546 F N -1.006 118.955 119.950 0.019 0.000 2.154 546 F HA -0.234 4.293 4.527 -0.000 0.000 0.301 546 F C 1.926 177.654 175.800 -0.120 0.000 1.087 546 F CA 1.895 59.831 58.000 -0.107 0.000 1.274 546 F CB -0.354 38.505 39.000 -0.235 0.000 1.009 546 F HN 0.429 nan 8.300 nan 0.000 0.485 547 W N -0.017 121.379 121.300 0.160 0.000 2.480 547 W HA -0.073 4.587 4.660 -0.000 0.000 0.299 547 W C 2.605 179.199 176.519 0.125 0.000 1.187 547 W CA 1.380 58.808 57.345 0.139 0.000 1.347 547 W CB -0.899 28.725 29.460 0.273 0.000 1.121 547 W HN -0.244 nan 8.180 nan 0.000 0.533 548 T N 0.585 115.325 114.554 0.309 0.000 2.720 548 T HA -0.225 4.125 4.350 -0.000 0.000 0.268 548 T C 1.430 176.209 174.700 0.132 0.000 1.037 548 T CA 1.652 63.860 62.100 0.179 0.000 1.144 548 T CB -0.459 68.475 68.868 0.110 0.000 0.864 548 T HN 0.139 nan 8.240 nan 0.000 0.444 549 N N 1.136 119.867 118.700 0.051 0.000 2.083 549 N HA -0.011 4.729 4.740 -0.000 0.000 0.190 549 N C 1.933 177.405 175.510 -0.062 0.000 1.047 549 N CA 0.862 53.901 53.050 -0.017 0.000 0.845 549 N CB -0.722 37.728 38.487 -0.061 0.000 1.025 549 N HN 0.192 nan 8.380 nan 0.000 0.428 550 L N 0.904 121.979 121.223 -0.245 0.000 2.021 550 L HA -0.151 4.189 4.340 -0.000 0.000 0.215 550 L C 2.100 178.923 176.870 -0.079 0.000 1.074 550 L CA 1.590 56.235 54.840 -0.326 0.000 0.760 550 L CB -1.074 40.526 42.059 -0.766 0.000 0.889 550 L HN 0.056 nan 8.230 nan 0.000 0.433 551 F N -0.018 119.929 119.950 -0.006 0.000 2.134 551 F HA -0.126 4.401 4.527 -0.000 0.000 0.299 551 F C 2.331 178.142 175.800 0.018 0.000 1.097 551 F CA 1.389 59.424 58.000 0.059 0.000 1.264 551 F CB -0.416 38.643 39.000 0.098 0.000 1.001 551 F HN 0.210 nan 8.300 nan 0.000 0.479 552 A N -0.017 122.928 122.820 0.208 0.000 2.258 552 A HA 0.070 4.390 4.320 -0.000 0.000 0.206 552 A C 0.699 178.317 177.584 0.056 0.000 1.222 552 A CA 0.240 52.345 52.037 0.113 0.000 0.822 552 A CB -0.845 18.199 19.000 0.073 0.000 0.804 552 A HN 0.428 nan 8.150 nan 0.000 0.483 553 K N 0.000 120.419 120.400 0.031 0.000 2.780 553 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 553 K CA 0.000 56.282 56.287 -0.009 0.000 0.838 553 K CB 0.000 32.502 32.500 0.004 0.000 1.064 553 K HN 0.000 nan 8.250 nan 0.000 0.543