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_E 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 0.000 174.682 174.600 0.137 0.000 1.055 21 S CA 0.000 58.244 58.200 0.073 0.000 1.107 21 S CB 0.000 63.221 63.200 0.034 0.000 0.593 22 S N 4.220 119.995 115.700 0.125 0.000 2.546 22 S HA 0.283 4.753 4.470 0.000 0.000 0.290 22 S C -2.020 172.662 174.600 0.138 0.000 1.262 22 S CA -0.178 58.087 58.200 0.108 0.000 1.083 22 S CB -0.470 62.781 63.200 0.085 0.000 0.859 22 S HN 0.652 nan 8.310 nan 0.000 0.495 23 P HA 0.084 nan 4.420 nan 0.000 0.266 23 P C -2.484 174.720 177.300 -0.160 0.000 1.180 23 P CA -0.608 62.437 63.100 -0.090 0.000 0.765 23 P CB -0.194 31.447 31.700 -0.098 0.000 0.806 24 P HA 0.146 nan 4.420 nan 0.000 0.285 24 P C -1.052 176.189 177.300 -0.098 0.000 1.259 24 P CA 0.049 62.910 63.100 -0.399 0.000 0.794 24 P CB 0.756 32.026 31.700 -0.717 0.000 0.940 25 V N 4.354 124.285 119.914 0.029 0.000 2.305 25 V HA 0.227 4.347 4.120 0.000 0.000 0.275 25 V C 0.089 176.225 176.094 0.069 0.000 1.020 25 V CA -0.668 61.688 62.300 0.094 0.000 0.811 25 V CB 1.430 33.293 31.823 0.067 0.000 1.031 25 V HN 0.208 nan 8.190 nan 0.000 0.439 26 V N 3.148 123.099 119.914 0.061 0.000 2.509 26 V HA 0.343 4.463 4.120 0.000 0.000 0.284 26 V C 0.219 176.224 176.094 -0.149 0.000 1.047 26 V CA -0.399 61.778 62.300 -0.205 0.000 0.952 26 V CB 1.720 33.052 31.823 -0.819 0.000 0.988 26 V HN 0.748 nan 8.190 nan 0.000 0.469 27 D N 2.650 122.962 120.400 -0.147 0.000 2.304 27 D HA 0.453 5.093 4.640 0.000 0.000 0.250 27 D C 0.147 176.382 176.300 -0.108 0.000 1.107 27 D CA 0.310 54.263 54.000 -0.079 0.000 0.885 27 D CB 1.882 42.638 40.800 -0.073 0.000 1.192 27 D HN 0.786 nan 8.370 nan 0.000 0.436 28 T N -1.490 113.041 114.554 -0.040 0.000 2.896 28 T HA 0.230 4.580 4.350 0.000 0.000 0.297 28 T C 1.346 175.956 174.700 -0.150 0.000 1.108 28 T CA -0.778 61.287 62.100 -0.058 0.000 1.004 28 T CB 1.113 70.072 68.868 0.151 0.000 1.159 28 T HN -0.012 nan 8.240 nan 0.000 0.499 29 V N 1.753 121.513 119.914 -0.256 0.000 2.277 29 V HA -0.204 3.916 4.120 0.000 0.000 0.253 29 V C 2.357 178.234 176.094 -0.360 0.000 1.067 29 V CA 2.086 64.182 62.300 -0.340 0.000 1.047 29 V CB -1.083 30.443 31.823 -0.495 0.000 0.649 29 V HN 0.894 nan 8.190 nan 0.000 0.447 30 H N 0.115 118.991 119.070 -0.324 0.000 2.547 30 H HA 0.441 4.997 4.556 0.000 0.000 0.266 30 H C 1.020 175.569 175.328 -1.298 0.000 0.988 30 H CA 0.885 56.511 56.048 -0.702 0.000 1.147 30 H CB 0.061 29.375 29.762 -0.747 0.000 1.365 30 H HN 0.580 nan 8.280 nan 0.000 0.589 31 G N 0.294 108.707 108.800 -0.646 0.000 2.339 31 G HA2 -0.056 3.904 3.960 0.000 0.000 0.381 31 G HA3 -0.056 3.904 3.960 0.000 0.000 0.381 31 G C -1.299 173.737 174.900 0.226 0.000 1.400 31 G CA -1.191 43.629 45.100 -0.466 0.000 1.002 31 G HN 0.061 nan 8.290 nan 0.000 0.633 32 K N 0.128 120.744 120.400 0.361 0.000 2.379 32 K HA 0.483 4.803 4.320 0.000 0.000 0.284 32 K C 0.199 177.085 176.600 0.477 0.000 1.044 32 K CA -0.397 56.091 56.287 0.336 0.000 0.974 32 K CB 1.602 34.230 32.500 0.213 0.000 0.962 32 K HN 0.351 nan 8.250 nan 0.000 0.474 33 V N 4.008 124.152 119.914 0.383 0.000 2.713 33 V HA 0.359 4.479 4.120 0.000 0.000 0.307 33 V C -0.290 176.028 176.094 0.373 0.000 1.052 33 V CA -1.001 61.529 62.300 0.385 0.000 0.967 33 V CB 1.767 33.857 31.823 0.446 0.000 1.019 33 V HN 0.586 nan 8.190 nan 0.000 0.459 34 L N 2.626 124.041 121.223 0.319 0.000 2.376 34 L HA 0.813 5.153 4.340 0.000 0.000 0.275 34 L C 0.070 176.952 176.870 0.019 0.000 0.987 34 L CA 0.214 55.156 54.840 0.171 0.000 0.828 34 L CB 1.158 43.250 42.059 0.055 0.000 1.249 34 L HN 0.816 nan 8.230 nan 0.000 0.409 35 G N 4.164 112.718 108.800 -0.410 0.000 3.016 35 G HA2 0.622 4.582 3.960 0.000 0.000 0.270 35 G HA3 0.622 4.582 3.960 0.000 0.000 0.270 35 G C -1.270 173.270 174.900 -0.600 0.000 1.352 35 G CA -0.608 44.015 45.100 -0.796 0.000 1.060 35 G HN 0.633 nan 8.290 nan 0.000 0.538 36 K N -1.118 118.959 120.400 -0.538 0.000 2.267 36 K HA 0.637 4.957 4.320 0.000 0.000 0.246 36 K C -1.497 174.905 176.600 -0.331 0.000 0.954 36 K CA -0.799 55.279 56.287 -0.348 0.000 0.824 36 K CB 2.343 34.718 32.500 -0.208 0.000 1.167 36 K HN 0.274 nan 8.250 nan 0.000 0.431 37 F N 1.785 121.655 119.950 -0.133 0.000 2.411 37 F HA 0.295 4.822 4.527 0.000 0.000 0.355 37 F C -0.436 175.333 175.800 -0.052 0.000 1.117 37 F CA -0.815 57.135 58.000 -0.084 0.000 1.139 37 F CB 1.623 40.593 39.000 -0.051 0.000 1.120 37 F HN 0.134 nan 8.300 nan 0.000 0.493 38 V N 3.422 123.471 119.914 0.225 0.000 2.588 38 V HA 0.347 4.467 4.120 0.000 0.000 0.304 38 V C -0.488 175.674 176.094 0.112 0.000 1.042 38 V CA -0.753 61.623 62.300 0.126 0.000 0.877 38 V CB 1.981 33.858 31.823 0.091 0.000 0.996 38 V HN 0.686 nan 8.190 nan 0.000 0.425 39 S N 4.464 120.209 115.700 0.075 0.000 2.525 39 S HA 0.719 5.189 4.470 0.000 0.000 0.290 39 S C -0.547 174.091 174.600 0.062 0.000 1.152 39 S CA -0.401 57.835 58.200 0.059 0.000 1.072 39 S CB 1.582 64.806 63.200 0.041 0.000 1.027 39 S HN 0.557 nan 8.310 nan 0.000 0.500 40 L N 2.317 123.575 121.223 0.058 0.000 2.344 40 L HA 0.574 4.914 4.340 0.000 0.000 0.272 40 L C 0.025 176.993 176.870 0.164 0.000 1.035 40 L CA -0.705 54.165 54.840 0.051 0.000 0.807 40 L CB 1.108 43.079 42.059 -0.146 0.000 1.237 40 L HN 0.653 nan 8.230 nan 0.000 0.442 41 E N 2.589 122.894 120.200 0.176 0.000 2.498 41 E HA 0.381 4.731 4.350 0.000 0.000 0.252 41 E C 0.804 177.574 176.600 0.284 0.000 1.025 41 E CA 1.119 57.640 56.400 0.201 0.000 0.938 41 E CB -0.330 29.489 29.700 0.198 0.000 0.947 41 E HN 0.885 nan 8.360 nan 0.000 0.478 42 G N 3.536 112.435 108.800 0.166 0.000 2.141 42 G HA2 -0.241 3.719 3.960 0.000 0.000 0.242 42 G HA3 -0.241 3.719 3.960 0.000 0.000 0.242 42 G C -0.341 174.402 174.900 -0.262 0.000 0.982 42 G CA 0.008 45.105 45.100 -0.005 0.000 0.662 42 G HN 0.368 nan 8.290 nan 0.000 0.527 43 F N -0.292 119.624 119.950 -0.056 0.000 2.547 43 F HA 0.758 5.285 4.527 0.000 0.000 0.316 43 F C 1.053 176.827 175.800 -0.044 0.000 1.121 43 F CA -0.214 57.746 58.000 -0.065 0.000 0.911 43 F CB 1.618 40.559 39.000 -0.099 0.000 1.179 43 F HN 0.113 nan 8.300 nan 0.000 0.443 44 A N 1.579 124.444 122.820 0.075 0.000 1.824 44 A HA -0.079 4.241 4.320 0.000 0.000 0.215 44 A C 0.918 178.525 177.584 0.037 0.000 1.244 44 A CA 0.716 52.772 52.037 0.032 0.000 0.604 44 A CB -0.723 18.276 19.000 -0.002 0.000 0.900 44 A HN 0.652 nan 8.150 nan 0.000 0.455 45 Q N 1.932 121.758 119.800 0.043 0.000 2.282 45 Q HA 0.137 4.477 4.340 0.000 0.000 0.276 45 Q C -2.130 173.892 176.000 0.037 0.000 1.198 45 Q CA -1.757 54.055 55.803 0.016 0.000 0.943 45 Q CB -0.166 28.600 28.738 0.046 0.000 1.275 45 Q HN 0.437 nan 8.270 nan 0.000 0.424 46 P HA -0.067 nan 4.420 nan 0.000 0.270 46 P C -0.772 176.616 177.300 0.147 0.000 1.227 46 P CA -0.123 62.993 63.100 0.027 0.000 0.788 46 P CB 0.627 32.287 31.700 -0.067 0.000 0.926 47 V N 0.618 120.644 119.914 0.188 0.000 2.481 47 V HA 0.431 4.551 4.120 0.000 0.000 0.286 47 V C 0.727 176.991 176.094 0.284 0.000 1.042 47 V CA -0.667 61.767 62.300 0.224 0.000 0.928 47 V CB 0.914 32.832 31.823 0.159 0.000 0.986 47 V HN 0.739 nan 8.190 nan 0.000 0.462 48 A N 6.310 129.280 122.820 0.250 0.000 2.269 48 A HA 0.711 5.031 4.320 0.000 0.000 0.302 48 A C -0.369 177.181 177.584 -0.057 0.000 1.266 48 A CA -0.272 51.744 52.037 -0.034 0.000 0.894 48 A CB -0.168 18.832 19.000 -0.000 0.000 1.147 48 A HN 0.777 nan 8.150 nan 0.000 0.537 49 I N 3.425 123.817 120.570 -0.297 0.000 2.354 49 I HA 0.297 4.467 4.170 0.000 0.000 0.286 49 I C -1.174 174.688 176.117 -0.425 0.000 1.007 49 I CA -0.223 60.867 61.300 -0.350 0.000 1.167 49 I CB 0.847 38.642 38.000 -0.341 0.000 1.320 49 I HN 0.511 nan 8.210 nan 0.000 0.458 50 F N 6.749 126.555 119.950 -0.239 0.000 2.415 50 F HA 0.519 5.046 4.527 0.000 0.000 0.348 50 F C -0.012 175.673 175.800 -0.192 0.000 1.119 50 F CA -0.654 57.265 58.000 -0.134 0.000 1.069 50 F CB 1.020 40.053 39.000 0.056 0.000 1.124 50 F HN 0.144 nan 8.300 nan 0.000 0.472 51 L N 2.606 123.817 121.223 -0.020 0.000 2.313 51 L HA 0.635 4.975 4.340 0.000 0.000 0.283 51 L C 0.636 177.479 176.870 -0.044 0.000 1.013 51 L CA -0.935 53.872 54.840 -0.055 0.000 0.816 51 L CB 1.559 43.492 42.059 -0.210 0.000 1.236 51 L HN 0.905 nan 8.230 nan 0.000 0.419 52 G N 3.573 112.368 108.800 -0.008 0.000 2.248 52 G HA2 -0.241 3.719 3.960 0.000 0.000 0.263 52 G HA3 -0.241 3.719 3.960 0.000 0.000 0.263 52 G C -0.202 174.764 174.900 0.110 0.000 1.082 52 G CA -0.423 44.633 45.100 -0.073 0.000 0.863 52 G HN 0.510 nan 8.290 nan 0.000 0.495 53 I N 2.425 123.068 120.570 0.122 0.000 2.396 53 I HA 0.226 4.396 4.170 0.000 0.000 0.289 53 I C -1.180 175.010 176.117 0.121 0.000 1.056 53 I CA -2.135 59.224 61.300 0.098 0.000 1.365 53 I CB 1.144 39.135 38.000 -0.015 0.000 1.407 53 I HN 0.031 nan 8.210 nan 0.000 0.509 54 P HA 0.014 nan 4.420 nan 0.000 0.271 54 P C -0.390 176.869 177.300 -0.068 0.000 1.216 54 P CA 0.144 63.164 63.100 -0.134 0.000 0.776 54 P CB 0.603 32.239 31.700 -0.106 0.000 0.881 55 F N 0.023 119.820 119.950 -0.255 0.000 2.838 55 F HA 0.760 5.287 4.527 0.000 0.000 0.329 55 F C -0.394 175.409 175.800 0.005 0.000 1.116 55 F CA -0.935 56.955 58.000 -0.184 0.000 1.155 55 F CB 0.121 38.891 39.000 -0.383 0.000 1.106 55 F HN 0.424 nan 8.300 nan 0.000 0.538 56 A N 1.137 123.766 122.820 -0.318 0.000 2.547 56 A HA 0.423 4.743 4.320 0.000 0.000 0.298 56 A C -0.936 176.480 177.584 -0.280 0.000 1.062 56 A CA -1.031 50.872 52.037 -0.224 0.000 0.748 56 A CB 0.707 19.526 19.000 -0.302 0.000 1.288 56 A HN 0.311 nan 8.150 nan 0.000 0.396 57 K N 2.386 122.693 120.400 -0.154 0.000 2.511 57 K HA 0.184 4.504 4.320 0.000 0.000 0.280 57 K C -2.265 174.218 176.600 -0.196 0.000 1.008 57 K CA -0.603 55.595 56.287 -0.149 0.000 1.050 57 K CB 0.107 32.554 32.500 -0.088 0.000 0.889 57 K HN 0.348 nan 8.250 nan 0.000 0.484 58 P HA -0.037 nan 4.420 nan 0.000 0.258 58 P C -2.385 174.819 177.300 -0.160 0.000 1.187 58 P CA -0.785 62.191 63.100 -0.207 0.000 0.767 58 P CB 0.163 31.771 31.700 -0.154 0.000 0.770 59 P HA 0.052 nan 4.420 nan 0.000 0.241 59 P C -0.688 176.522 177.300 -0.149 0.000 1.760 59 P CA 0.497 63.503 63.100 -0.158 0.000 1.081 59 P CB 0.001 31.604 31.700 -0.161 0.000 1.975 60 L N 0.243 121.390 121.223 -0.126 0.000 2.299 60 L HA 0.681 5.021 4.340 0.000 0.000 0.268 60 L C 1.687 178.494 176.870 -0.106 0.000 1.012 60 L CA -0.611 54.165 54.840 -0.106 0.000 0.816 60 L CB 0.390 42.401 42.059 -0.080 0.000 1.355 60 L HN 0.304 nan 8.230 nan 0.000 0.457 61 G N 0.839 109.586 108.800 -0.088 0.000 2.672 61 G HA2 -0.288 3.672 3.960 0.000 0.000 0.324 61 G HA3 -0.288 3.672 3.960 0.000 0.000 0.324 61 G C -1.408 173.438 174.900 -0.090 0.000 1.286 61 G CA 0.416 45.472 45.100 -0.074 0.000 1.004 61 G HN 0.624 nan 8.290 nan 0.000 0.548 62 P HA 0.072 nan 4.420 nan 0.000 0.239 62 P C 1.463 178.710 177.300 -0.089 0.000 1.184 62 P CA 0.927 63.999 63.100 -0.047 0.000 0.760 62 P CB -0.099 31.592 31.700 -0.015 0.000 0.884 63 L N -0.991 120.155 121.223 -0.130 0.000 2.653 63 L HA 0.213 4.553 4.340 0.000 0.000 0.231 63 L C 1.395 178.095 176.870 -0.283 0.000 1.153 63 L CA -0.329 54.408 54.840 -0.170 0.000 0.933 63 L CB -0.185 41.793 42.059 -0.135 0.000 1.175 63 L HN -0.102 nan 8.230 nan 0.000 0.473 64 R N 0.865 121.157 120.500 -0.347 0.000 2.234 64 R HA 0.183 4.523 4.340 0.000 0.000 0.324 64 R C -0.528 175.317 176.300 -0.758 0.000 1.054 64 R CA -0.268 55.437 56.100 -0.658 0.000 0.912 64 R CB 0.212 30.034 30.300 -0.797 0.000 1.030 64 R HN 0.078 nan 8.270 nan 0.000 0.455 65 F N 0.302 119.839 119.950 -0.689 0.000 3.028 65 F HA -0.254 4.273 4.527 0.000 0.000 0.306 65 F C -0.144 174.518 175.800 -1.896 0.000 0.896 65 F CA 1.113 58.334 58.000 -1.298 0.000 1.184 65 F CB -2.411 36.343 39.000 -0.410 0.000 1.213 65 F HN 0.635 nan 8.300 nan 0.000 0.629 66 T N -3.130 110.475 114.554 -1.582 0.000 2.843 66 T HA 0.774 5.124 4.350 0.000 0.000 0.302 66 T C -3.169 171.309 174.700 -0.370 0.000 1.232 66 T CA -2.358 59.143 62.100 -0.999 0.000 1.009 66 T CB 3.290 71.943 68.868 -0.359 0.000 1.254 66 T HN -0.236 nan 8.240 nan 0.000 0.504 67 P HA 0.251 nan 4.420 nan 0.000 0.266 67 P C -2.380 174.993 177.300 0.121 0.000 1.195 67 P CA -0.833 62.439 63.100 0.286 0.000 0.768 67 P CB -0.209 31.648 31.700 0.260 0.000 0.838 68 P HA 0.106 nan 4.420 nan 0.000 0.271 68 P C -0.693 176.648 177.300 0.068 0.000 1.216 68 P CA 0.030 63.172 63.100 0.070 0.000 0.776 68 P CB 0.636 32.401 31.700 0.109 0.000 0.881 69 Q N 3.195 123.008 119.800 0.022 0.000 2.266 69 Q HA 0.472 4.812 4.340 0.000 0.000 0.261 69 Q C -2.253 173.767 176.000 0.034 0.000 0.985 69 Q CA -2.068 53.751 55.803 0.028 0.000 0.873 69 Q CB 0.460 29.197 28.738 -0.002 0.000 1.306 69 Q HN 0.324 nan 8.270 nan 0.000 0.447 70 P HA 0.030 nan 4.420 nan 0.000 0.267 70 P C -1.436 175.856 177.300 -0.014 0.000 1.201 70 P CA 0.079 63.228 63.100 0.083 0.000 0.775 70 P CB 0.536 32.300 31.700 0.107 0.000 0.854 71 A N 1.944 124.707 122.820 -0.094 0.000 2.327 71 A HA 0.206 4.526 4.320 0.000 0.000 0.283 71 A C 0.038 177.448 177.584 -0.290 0.000 1.127 71 A CA -0.488 51.438 52.037 -0.185 0.000 0.810 71 A CB -0.087 18.834 19.000 -0.132 0.000 1.066 71 A HN 0.536 nan 8.150 nan 0.000 0.492 72 E N 3.091 123.225 120.200 -0.111 0.000 2.376 72 E HA 0.201 4.551 4.350 0.000 0.000 0.266 72 E C -2.030 174.555 176.600 -0.026 0.000 1.009 72 E CA -1.323 55.043 56.400 -0.057 0.000 0.902 72 E CB 0.384 30.093 29.700 0.015 0.000 0.972 72 E HN 0.511 nan 8.360 nan 0.000 0.439 73 P HA -0.025 nan 4.420 nan 0.000 0.271 73 P C -1.091 176.242 177.300 0.055 0.000 1.218 73 P CA -0.122 62.885 63.100 -0.155 0.000 0.780 73 P CB 0.324 31.961 31.700 -0.105 0.000 0.901 74 W N 0.697 122.063 121.300 0.110 0.000 2.578 74 W HA 0.593 5.253 4.660 0.000 0.000 0.353 74 W C 0.745 177.336 176.519 0.120 0.000 1.088 74 W CA -0.693 56.721 57.345 0.117 0.000 1.235 74 W CB -0.299 29.240 29.460 0.132 0.000 1.362 74 W HN 0.143 nan 8.180 nan 0.000 0.592 75 S N 0.373 116.308 115.700 0.392 0.000 2.406 75 S HA 0.050 4.520 4.470 0.000 0.000 0.224 75 S C 0.604 175.284 174.600 0.134 0.000 1.030 75 S CA 0.647 58.991 58.200 0.240 0.000 0.958 75 S CB -0.279 63.112 63.200 0.318 0.000 0.811 75 S HN 0.406 nan 8.310 nan 0.000 0.489 76 F N 0.496 120.582 119.950 0.228 0.000 2.906 76 F HA 0.465 4.992 4.527 0.000 0.000 0.191 76 F C 0.194 176.144 175.800 0.249 0.000 1.351 76 F CA -1.079 57.029 58.000 0.181 0.000 0.928 76 F CB -0.426 38.643 39.000 0.114 0.000 2.092 76 F HN -0.299 nan 8.300 nan 0.000 0.523 77 V N 1.210 121.374 119.914 0.417 0.000 2.328 77 V HA 0.253 4.373 4.120 0.000 0.000 0.278 77 V C -0.289 175.893 176.094 0.146 0.000 1.021 77 V CA -1.128 61.341 62.300 0.282 0.000 0.838 77 V CB 0.906 32.855 31.823 0.210 0.000 0.999 77 V HN 0.362 nan 8.190 nan 0.000 0.447 78 K N 4.472 124.902 120.400 0.051 0.000 2.349 78 K HA 0.155 4.475 4.320 0.000 0.000 0.288 78 K C 0.437 177.000 176.600 -0.061 0.000 1.058 78 K CA -0.226 55.947 56.287 -0.189 0.000 0.953 78 K CB 0.269 32.373 32.500 -0.659 0.000 0.997 78 K HN 0.607 nan 8.250 nan 0.000 0.477 79 N N 3.608 122.264 118.700 -0.073 0.000 2.971 79 N HA 0.007 4.747 4.740 0.000 0.000 0.294 79 N C -0.770 174.695 175.510 -0.074 0.000 1.210 79 N CA 0.030 53.046 53.050 -0.056 0.000 1.157 79 N CB 0.494 38.941 38.487 -0.067 0.000 1.450 79 N HN 0.558 nan 8.380 nan 0.000 0.527 80 A N 1.601 124.408 122.820 -0.021 0.000 3.052 80 A HA 0.066 4.386 4.320 0.000 0.000 0.266 80 A C 1.225 178.758 177.584 -0.086 0.000 1.855 80 A CA -0.118 51.907 52.037 -0.020 0.000 1.473 80 A CB -0.724 18.354 19.000 0.130 0.000 1.038 80 A HN 0.458 nan 8.150 nan 0.000 0.619 81 T N -3.176 111.291 114.554 -0.146 0.000 3.145 81 T HA 0.371 4.721 4.350 0.000 0.000 0.281 81 T C 0.336 174.874 174.700 -0.269 0.000 1.003 81 T CA 0.014 61.989 62.100 -0.208 0.000 0.901 81 T CB 0.111 68.872 68.868 -0.177 0.000 1.112 81 T HN 0.236 nan 8.240 nan 0.000 0.535 82 S N 0.598 116.146 115.700 -0.255 0.000 2.542 82 S HA 0.618 5.088 4.470 0.000 0.000 0.293 82 S C -1.368 173.084 174.600 -0.248 0.000 1.089 82 S CA -0.743 57.293 58.200 -0.274 0.000 0.961 82 S CB 0.888 63.983 63.200 -0.175 0.000 1.062 82 S HN 0.296 nan 8.310 nan 0.000 0.483 83 Y N 3.633 123.860 120.300 -0.121 0.000 2.569 83 Y HA 0.186 4.736 4.550 0.000 0.000 0.332 83 Y C -1.582 174.197 175.900 -0.201 0.000 1.120 83 Y CA -1.615 56.408 58.100 -0.127 0.000 1.416 83 Y CB -0.253 38.155 38.460 -0.087 0.000 1.210 83 Y HN 0.363 nan 8.280 nan 0.000 0.528 84 P HA 0.108 nan 4.420 nan 0.000 0.271 84 P C -2.663 174.530 177.300 -0.179 0.000 1.218 84 P CA -1.340 61.543 63.100 -0.362 0.000 0.780 84 P CB 0.687 32.133 31.700 -0.424 0.000 0.901 85 P HA 0.158 nan 4.420 nan 0.000 0.272 85 P C -0.002 177.256 177.300 -0.070 0.000 1.223 85 P CA 0.089 63.129 63.100 -0.100 0.000 0.784 85 P CB 0.240 31.889 31.700 -0.084 0.000 0.923 86 M N 0.830 120.376 119.600 -0.090 0.000 2.314 86 M HA 0.449 4.929 4.480 0.000 0.000 0.342 86 M C -0.650 175.573 176.300 -0.129 0.000 1.171 86 M CA -0.487 54.752 55.300 -0.101 0.000 1.098 86 M CB 0.477 33.009 32.600 -0.113 0.000 1.559 86 M HN 0.133 nan 8.290 nan 0.000 0.459 87 c N 1.820 120.335 118.600 -0.142 0.000 2.692 87 c HA 0.089 4.659 4.570 0.000 0.000 0.409 87 c C 0.931 174.841 174.090 -0.301 0.000 1.284 87 c CA -0.239 55.956 56.329 -0.224 0.000 1.909 87 c CB -0.505 41.890 42.510 -0.191 0.000 2.713 87 c HN 0.873 nan 8.230 nan 0.000 0.649 88 T N 4.020 118.248 114.554 -0.543 0.000 2.866 88 T HA 0.284 4.634 4.350 0.000 0.000 0.293 88 T C 0.170 174.624 174.700 -0.409 0.000 1.005 88 T CA 0.445 62.158 62.100 -0.644 0.000 1.162 88 T CB -0.179 67.905 68.868 -1.306 0.000 0.968 88 T HN 0.884 nan 8.240 nan 0.000 0.530 89 Q N 1.399 121.096 119.800 -0.172 0.000 2.816 89 Q HA 0.383 4.723 4.340 0.000 0.000 0.351 89 Q C -1.532 174.487 176.000 0.033 0.000 0.761 89 Q CA -1.096 54.706 55.803 -0.002 0.000 0.852 89 Q CB 0.834 29.574 28.738 0.005 0.000 1.280 89 Q HN 0.318 nan 8.270 nan 0.000 0.513 90 D N 2.402 122.839 120.400 0.062 0.000 2.402 90 D HA 0.151 4.791 4.640 0.000 0.000 0.235 90 D C -1.385 174.923 176.300 0.014 0.000 1.226 90 D CA -1.923 52.108 54.000 0.051 0.000 0.918 90 D CB 1.149 41.989 40.800 0.066 0.000 1.043 90 D HN 0.259 nan 8.370 nan 0.000 0.506 91 P HA -0.209 nan 4.420 nan 0.000 0.217 91 P C 1.170 178.461 177.300 -0.015 0.000 1.148 91 P CA 1.123 64.213 63.100 -0.017 0.000 0.834 91 P CB 0.632 32.321 31.700 -0.018 0.000 0.783 92 K N -0.417 119.980 120.400 -0.004 0.000 2.031 92 K HA 0.015 4.335 4.320 0.000 0.000 0.205 92 K C 2.408 179.002 176.600 -0.011 0.000 1.049 92 K CA 1.240 57.524 56.287 -0.005 0.000 0.939 92 K CB -0.454 32.047 32.500 0.002 0.000 0.717 92 K HN 0.000 nan 8.250 nan 0.000 0.438 93 A N 0.855 123.672 122.820 -0.006 0.000 1.873 93 A HA -0.062 4.258 4.320 0.000 0.000 0.215 93 A C 2.326 179.890 177.584 -0.034 0.000 1.186 93 A CA 1.854 53.881 52.037 -0.016 0.000 0.616 93 A CB -1.248 17.753 19.000 0.002 0.000 0.823 93 A HN 0.447 nan 8.150 nan 0.000 0.442 94 G N -0.472 108.313 108.800 -0.025 0.000 2.529 94 G HA2 -0.380 3.580 3.960 0.000 0.000 0.219 94 G HA3 -0.380 3.580 3.960 0.000 0.000 0.219 94 G C 1.654 176.521 174.900 -0.055 0.000 1.177 94 G CA 1.352 46.429 45.100 -0.037 0.000 0.773 94 G HN 0.669 nan 8.290 nan 0.000 0.573 95 Q N -0.477 119.294 119.800 -0.049 0.000 2.030 95 Q HA -0.134 4.206 4.340 0.000 0.000 0.204 95 Q C 2.553 178.524 176.000 -0.049 0.000 0.986 95 Q CA 1.588 57.361 55.803 -0.051 0.000 0.843 95 Q CB -0.328 28.387 28.738 -0.038 0.000 0.904 95 Q HN 0.356 nan 8.270 nan 0.000 0.420 96 L N 0.433 121.631 121.223 -0.041 0.000 1.978 96 L HA -0.247 4.093 4.340 0.000 0.000 0.218 96 L C 2.423 179.252 176.870 -0.069 0.000 1.075 96 L CA 1.816 56.635 54.840 -0.036 0.000 0.767 96 L CB -0.840 41.197 42.059 -0.037 0.000 0.890 96 L HN 0.447 nan 8.230 nan 0.000 0.434 97 L N -1.284 119.863 121.223 -0.127 0.000 2.042 97 L HA -0.211 4.129 4.340 0.000 0.000 0.210 97 L C 2.669 179.416 176.870 -0.204 0.000 1.076 97 L CA 2.171 56.855 54.840 -0.259 0.000 0.749 97 L CB -0.875 41.015 42.059 -0.283 0.000 0.893 97 L HN 0.452 nan 8.230 nan 0.000 0.432 98 S N -1.390 114.243 115.700 -0.112 0.000 2.474 98 S HA -0.130 4.340 4.470 0.000 0.000 0.235 98 S C 1.752 176.316 174.600 -0.060 0.000 0.997 98 S CA 1.108 59.253 58.200 -0.092 0.000 0.949 98 S CB -0.308 62.828 63.200 -0.106 0.000 0.766 98 S HN 0.662 nan 8.310 nan 0.000 0.517 99 E N 0.595 120.780 120.200 -0.025 0.000 2.086 99 E HA 0.049 4.399 4.350 0.000 0.000 0.190 99 E C 1.898 178.560 176.600 0.104 0.000 0.975 99 E CA 1.058 57.470 56.400 0.019 0.000 0.813 99 E CB -0.155 29.559 29.700 0.023 0.000 0.768 99 E HN 0.524 nan 8.360 nan 0.000 0.457 100 L N -0.199 121.114 121.223 0.151 0.000 2.395 100 L HA 0.007 4.347 4.340 0.000 0.000 0.218 100 L C 1.740 178.927 176.870 0.528 0.000 1.130 100 L CA 0.375 55.410 54.840 0.325 0.000 0.826 100 L CB -0.072 42.176 42.059 0.315 0.000 0.941 100 L HN 0.065 nan 8.230 nan 0.000 0.451 101 F N -0.283 119.667 119.950 0.001 0.000 2.656 101 F HA 0.127 4.654 4.527 0.000 0.000 0.291 101 F C 1.810 177.411 175.800 -0.331 0.000 1.122 101 F CA -0.498 57.408 58.000 -0.155 0.000 1.427 101 F CB -0.435 38.470 39.000 -0.158 0.000 1.125 101 F HN -0.155 nan 8.300 nan 0.000 0.583 102 T N 1.476 115.980 114.554 -0.083 0.000 2.856 102 T HA -0.070 4.280 4.350 0.000 0.000 0.329 102 T C 1.139 175.777 174.700 -0.104 0.000 1.094 102 T CA 0.480 62.445 62.100 -0.225 0.000 1.112 102 T CB 0.267 69.046 68.868 -0.147 0.000 1.009 102 T HN 0.419 nan 8.240 nan 0.000 0.550 103 N N 1.666 120.255 118.700 -0.185 0.000 2.160 103 N HA 0.071 4.811 4.740 0.000 0.000 0.226 103 N C 0.066 175.511 175.510 -0.107 0.000 1.256 103 N CA -0.495 52.523 53.050 -0.053 0.000 0.890 103 N CB 0.213 38.657 38.487 -0.071 0.000 1.116 103 N HN 0.693 nan 8.380 nan 0.000 0.517 104 R N -0.217 120.201 120.500 -0.137 0.000 2.607 104 R HA 0.419 4.759 4.340 0.000 0.000 0.261 104 R C 1.036 177.255 176.300 -0.134 0.000 1.051 104 R CA -0.919 55.112 56.100 -0.116 0.000 1.110 104 R CB 1.575 31.820 30.300 -0.091 0.000 1.158 104 R HN -0.177 nan 8.270 nan 0.000 0.543 105 K N 0.397 120.731 120.400 -0.110 0.000 2.001 105 K HA -0.175 4.145 4.320 0.000 0.000 0.214 105 K C 0.336 176.881 176.600 -0.092 0.000 1.050 105 K CA 1.917 58.136 56.287 -0.113 0.000 0.934 105 K CB -0.028 32.431 32.500 -0.069 0.000 0.718 105 K HN 0.750 nan 8.250 nan 0.000 0.443 106 E N 0.972 121.133 120.200 -0.065 0.000 2.227 106 E HA 0.090 4.440 4.350 0.000 0.000 0.268 106 E C -1.310 175.250 176.600 -0.067 0.000 0.990 106 E CA -0.687 55.681 56.400 -0.054 0.000 0.856 106 E CB 0.816 30.496 29.700 -0.033 0.000 1.159 106 E HN 0.319 nan 8.360 nan 0.000 0.401 107 N N 1.278 119.940 118.700 -0.064 0.000 2.509 107 N HA 0.239 4.979 4.740 0.000 0.000 0.287 107 N C -0.649 174.805 175.510 -0.093 0.000 1.121 107 N CA -0.686 52.313 53.050 -0.086 0.000 0.977 107 N CB 0.648 39.094 38.487 -0.067 0.000 1.167 107 N HN 0.323 nan 8.380 nan 0.000 0.476 108 I N 4.215 124.698 120.570 -0.145 0.000 2.330 108 I HA 0.289 4.459 4.170 0.000 0.000 0.286 108 I C -2.051 173.975 176.117 -0.152 0.000 1.025 108 I CA -2.465 58.737 61.300 -0.163 0.000 1.197 108 I CB 0.434 38.242 38.000 -0.321 0.000 1.358 108 I HN 0.411 nan 8.210 nan 0.000 0.467 109 P HA 0.328 nan 4.420 nan 0.000 0.276 109 P C -0.529 176.722 177.300 -0.082 0.000 1.243 109 P CA -0.092 62.960 63.100 -0.080 0.000 0.768 109 P CB 1.339 33.008 31.700 -0.052 0.000 0.856 110 L N 2.410 123.578 121.223 -0.093 0.000 2.421 110 L HA 0.598 4.938 4.340 0.000 0.000 0.267 110 L C 0.666 177.493 176.870 -0.072 0.000 1.036 110 L CA -1.157 53.630 54.840 -0.088 0.000 0.829 110 L CB 0.563 42.554 42.059 -0.114 0.000 1.437 110 L HN 0.169 nan 8.230 nan 0.000 0.488 111 K N 0.364 120.720 120.400 -0.074 0.000 2.267 111 K HA 0.646 4.966 4.320 0.000 0.000 0.246 111 K C -1.232 175.315 176.600 -0.088 0.000 0.954 111 K CA -0.375 55.869 56.287 -0.072 0.000 0.824 111 K CB 1.501 33.962 32.500 -0.065 0.000 1.167 111 K HN 0.325 nan 8.250 nan 0.000 0.431 112 L N 1.022 122.189 121.223 -0.094 0.000 2.325 112 L HA 0.672 5.012 4.340 0.000 0.000 0.279 112 L C -0.058 176.731 176.870 -0.136 0.000 1.054 112 L CA -0.701 54.062 54.840 -0.128 0.000 0.804 112 L CB 1.639 43.618 42.059 -0.133 0.000 1.200 112 L HN 0.537 nan 8.230 nan 0.000 0.436 113 S N 0.188 115.781 115.700 -0.178 0.000 2.606 113 S HA 0.126 4.596 4.470 0.000 0.000 0.290 113 S C 0.193 174.660 174.600 -0.222 0.000 1.103 113 S CA -0.637 57.465 58.200 -0.164 0.000 0.870 113 S CB 1.305 64.448 63.200 -0.094 0.000 1.077 113 S HN 0.788 nan 8.310 nan 0.000 0.448 114 E N 1.328 121.384 120.200 -0.241 0.000 2.265 114 E HA -0.131 4.219 4.350 0.000 0.000 0.196 114 E C -0.113 176.381 176.600 -0.177 0.000 0.996 114 E CA 0.806 57.044 56.400 -0.271 0.000 0.832 114 E CB 0.006 29.606 29.700 -0.167 0.000 0.756 114 E HN 0.535 nan 8.360 nan 0.000 0.491 115 D N 0.223 120.555 120.400 -0.114 0.000 2.517 115 D HA 0.011 4.651 4.640 0.000 0.000 0.220 115 D C 0.159 176.481 176.300 0.037 0.000 1.158 115 D CA -0.288 53.672 54.000 -0.066 0.000 0.992 115 D CB -0.071 40.724 40.800 -0.008 0.000 1.058 115 D HN 0.169 nan 8.370 nan 0.000 0.516 116 c N 1.708 120.274 118.600 -0.057 0.000 3.785 116 c HA 0.352 4.922 4.570 0.000 0.000 0.312 116 c C 1.067 175.128 174.090 -0.048 0.000 1.566 116 c CA -0.626 55.746 56.329 0.072 0.000 1.837 116 c CB -1.289 41.204 42.510 -0.029 0.000 2.826 116 c HN 0.421 nan 8.230 nan 0.000 0.667 117 L N 2.397 123.378 121.223 -0.403 0.000 2.530 117 L HA 0.194 4.534 4.340 0.000 0.000 0.247 117 L C -0.470 175.810 176.870 -0.984 0.000 1.416 117 L CA 0.721 55.148 54.840 -0.688 0.000 1.202 117 L CB -1.074 40.440 42.059 -0.909 0.000 1.415 117 L HN 0.441 nan 8.230 nan 0.000 0.443 118 Y N 1.386 121.607 120.300 -0.132 0.000 2.650 118 Y HA 0.725 5.275 4.550 0.000 0.000 0.331 118 Y C 0.004 176.096 175.900 0.320 0.000 1.082 118 Y CA -1.197 56.928 58.100 0.043 0.000 1.171 118 Y CB 1.704 40.154 38.460 -0.018 0.000 1.326 118 Y HN 0.120 nan 8.280 nan 0.000 0.513 119 L N -0.353 121.073 121.223 0.338 0.000 2.506 119 L HA 0.662 5.002 4.340 0.000 0.000 0.257 119 L C -1.799 175.109 176.870 0.063 0.000 0.964 119 L CA -1.188 53.735 54.840 0.138 0.000 0.836 119 L CB 1.860 43.862 42.059 -0.095 0.000 1.384 119 L HN 0.417 nan 8.230 nan 0.000 0.410 120 N N 2.754 121.524 118.700 0.117 0.000 2.362 120 N HA 0.718 5.458 4.740 0.000 0.000 0.298 120 N C -1.137 174.448 175.510 0.125 0.000 1.048 120 N CA -0.225 52.898 53.050 0.122 0.000 0.858 120 N CB 2.618 41.266 38.487 0.268 0.000 1.218 120 N HN 0.706 nan 8.380 nan 0.000 0.488 121 I N 1.756 122.316 120.570 -0.017 0.000 2.474 121 I HA 0.314 4.484 4.170 0.000 0.000 0.294 121 I C -0.991 175.098 176.117 -0.047 0.000 1.005 121 I CA -0.791 60.516 61.300 0.012 0.000 1.113 121 I CB 1.180 39.008 38.000 -0.286 0.000 1.289 121 I HN 0.327 nan 8.210 nan 0.000 0.436 122 Y N 3.343 123.760 120.300 0.196 0.000 2.555 122 Y HA 0.336 4.886 4.550 0.000 0.000 0.326 122 Y C 0.345 176.375 175.900 0.217 0.000 0.984 122 Y CA -0.646 57.578 58.100 0.208 0.000 1.298 122 Y CB 1.739 40.302 38.460 0.171 0.000 1.094 122 Y HN 0.381 nan 8.280 nan 0.000 0.500 123 T N 5.213 119.967 114.554 0.334 0.000 2.779 123 T HA 0.371 4.721 4.350 0.000 0.000 0.280 123 T C -2.295 172.567 174.700 0.269 0.000 0.987 123 T CA -2.279 60.009 62.100 0.313 0.000 0.966 123 T CB 1.237 70.334 68.868 0.382 0.000 0.933 123 T HN 0.316 nan 8.240 nan 0.000 0.442 124 P HA 0.353 nan 4.420 nan 0.000 0.263 124 P C -0.032 177.367 177.300 0.166 0.000 1.448 124 P CA -0.230 62.970 63.100 0.167 0.000 0.983 124 P CB 0.103 31.865 31.700 0.103 0.000 1.481 125 A N 0.402 123.335 122.820 0.189 0.000 2.257 125 A HA 0.367 4.687 4.320 0.000 0.000 0.289 125 A C -0.236 177.451 177.584 0.173 0.000 1.095 125 A CA -0.228 51.907 52.037 0.162 0.000 0.836 125 A CB -0.044 19.051 19.000 0.159 0.000 1.111 125 A HN -0.043 nan 8.150 nan 0.000 0.497 126 D N 0.730 121.211 120.400 0.135 0.000 2.485 126 D HA 0.394 5.034 4.640 0.000 0.000 0.221 126 D C 1.103 177.477 176.300 0.122 0.000 1.112 126 D CA -0.218 53.860 54.000 0.131 0.000 0.911 126 D CB -0.156 40.696 40.800 0.086 0.000 1.019 126 D HN 0.398 nan 8.370 nan 0.000 0.516 127 L N 1.855 123.170 121.223 0.154 0.000 2.283 127 L HA -0.269 4.071 4.340 0.000 0.000 0.217 127 L C 2.412 179.327 176.870 0.075 0.000 1.104 127 L CA 1.670 56.576 54.840 0.110 0.000 0.772 127 L CB -1.215 40.919 42.059 0.125 0.000 0.899 127 L HN 0.487 nan 8.230 nan 0.000 0.439 128 T N -2.429 112.176 114.554 0.085 0.000 2.788 128 T HA -0.133 4.217 4.350 0.000 0.000 0.268 128 T C 0.989 175.713 174.700 0.041 0.000 1.044 128 T CA 0.799 62.934 62.100 0.059 0.000 1.139 128 T CB -0.178 68.725 68.868 0.057 0.000 0.867 128 T HN 0.378 nan 8.240 nan 0.000 0.454 129 K N 0.804 121.231 120.400 0.045 0.000 2.240 129 K HA 0.467 4.787 4.320 0.000 0.000 0.237 129 K C -0.273 176.346 176.600 0.032 0.000 1.027 129 K CA -0.937 55.371 56.287 0.034 0.000 0.937 129 K CB 0.945 33.467 32.500 0.036 0.000 1.171 129 K HN -0.008 nan 8.250 nan 0.000 0.479 130 K N 1.970 122.385 120.400 0.025 0.000 2.290 130 K HA 0.129 4.449 4.320 0.000 0.000 0.250 130 K C -0.880 175.737 176.600 0.030 0.000 1.092 130 K CA -0.272 56.027 56.287 0.021 0.000 1.006 130 K CB 0.085 32.591 32.500 0.010 0.000 1.549 130 K HN 0.408 nan 8.250 nan 0.000 0.436 131 N N 2.212 120.939 118.700 0.044 0.000 2.498 131 N HA 0.239 4.979 4.740 0.000 0.000 0.287 131 N C -0.625 174.917 175.510 0.054 0.000 1.097 131 N CA -0.335 52.748 53.050 0.054 0.000 0.973 131 N CB 1.383 39.916 38.487 0.076 0.000 1.153 131 N HN 0.345 nan 8.380 nan 0.000 0.472 132 R N 1.874 122.403 120.500 0.048 0.000 2.674 132 R HA 0.364 4.704 4.340 0.000 0.000 0.270 132 R C -0.915 175.414 176.300 0.049 0.000 1.492 132 R CA -0.445 55.682 56.100 0.044 0.000 1.624 132 R CB -0.226 30.088 30.300 0.024 0.000 1.307 132 R HN 0.406 nan 8.270 nan 0.000 0.683 133 L N 1.582 122.847 121.223 0.069 0.000 2.456 133 L HA 0.526 4.867 4.340 0.000 0.000 0.257 133 L C -1.710 175.204 176.870 0.073 0.000 1.162 133 L CA -1.719 53.163 54.840 0.070 0.000 0.808 133 L CB 0.185 42.297 42.059 0.089 0.000 1.136 133 L HN 0.207 nan 8.230 nan 0.000 0.466 134 P HA 0.096 nan 4.420 nan 0.000 0.271 134 P C -1.079 176.280 177.300 0.098 0.000 1.218 134 P CA -0.109 63.031 63.100 0.066 0.000 0.780 134 P CB 1.044 32.769 31.700 0.042 0.000 0.901 135 V N 4.261 124.246 119.914 0.119 0.000 2.581 135 V HA 0.440 4.560 4.120 0.000 0.000 0.303 135 V C 0.533 176.729 176.094 0.169 0.000 1.041 135 V CA -0.517 61.875 62.300 0.154 0.000 0.907 135 V CB 1.431 33.353 31.823 0.165 0.000 0.994 135 V HN 0.508 nan 8.190 nan 0.000 0.442 136 M N 4.187 123.916 119.600 0.216 0.000 2.093 136 M HA 0.484 4.964 4.480 0.000 0.000 0.297 136 M C -1.101 175.515 176.300 0.527 0.000 0.938 136 M CA -0.510 54.963 55.300 0.288 0.000 0.920 136 M CB 2.002 34.668 32.600 0.109 0.000 1.517 136 M HN 0.383 nan 8.290 nan 0.000 0.427 137 V N 3.288 123.505 119.914 0.505 0.000 2.509 137 V HA 0.335 4.455 4.120 0.000 0.000 0.284 137 V C -0.779 175.577 176.094 0.436 0.000 1.047 137 V CA -0.390 62.154 62.300 0.407 0.000 0.952 137 V CB 1.502 33.451 31.823 0.209 0.000 0.988 137 V HN 0.845 nan 8.190 nan 0.000 0.469 138 W N 6.919 128.220 121.300 0.001 0.000 2.361 138 W HA 0.564 5.224 4.660 0.000 0.000 0.314 138 W C -1.289 175.114 176.519 -0.193 0.000 1.041 138 W CA -1.017 56.084 57.345 -0.408 0.000 1.241 138 W CB 1.419 30.599 29.460 -0.466 0.000 1.279 138 W HN 0.461 nan 8.180 nan 0.000 0.436 139 I N 8.149 128.221 120.570 -0.830 0.000 2.282 139 I HA 0.017 4.187 4.170 0.000 0.000 0.290 139 I C 1.251 176.838 176.117 -0.883 0.000 1.090 139 I CA -0.617 60.360 61.300 -0.538 0.000 1.231 139 I CB 0.087 37.842 38.000 -0.410 0.000 1.434 139 I HN 0.344 nan 8.210 nan 0.000 0.487 140 H N 4.915 123.614 119.070 -0.619 0.000 2.913 140 H HA 0.257 4.813 4.556 0.000 0.000 0.365 140 H C 0.157 175.461 175.328 -0.040 0.000 1.155 140 H CA -0.091 55.768 56.048 -0.316 0.000 1.417 140 H CB 0.636 30.485 29.762 0.145 0.000 1.386 140 H HN 0.588 nan 8.280 nan 0.000 0.614 141 G N -1.226 107.585 108.800 0.018 0.000 2.606 141 G HA2 0.465 4.425 3.960 0.000 0.000 0.262 141 G HA3 0.465 4.425 3.960 0.000 0.000 0.262 141 G C 0.396 175.327 174.900 0.053 0.000 1.394 141 G CA -0.681 44.424 45.100 0.008 0.000 1.044 141 G HN 1.315 nan 8.290 nan 0.000 0.553 142 G N -2.835 106.017 108.800 0.088 0.000 2.161 142 G HA2 0.392 4.352 3.960 0.000 0.000 0.140 142 G HA3 0.392 4.352 3.960 0.000 0.000 0.140 142 G C 1.080 175.995 174.900 0.025 0.000 1.040 142 G CA 0.725 45.856 45.100 0.051 0.000 0.735 142 G HN 2.335 nan 8.290 nan 0.000 0.496 143 G N 0.100 108.914 108.800 0.023 0.000 2.233 143 G HA2 -0.172 3.788 3.960 0.000 0.000 0.270 143 G HA3 -0.172 3.788 3.960 0.000 0.000 0.270 143 G C 1.151 176.010 174.900 -0.069 0.000 1.011 143 G CA 0.750 45.837 45.100 -0.022 0.000 0.762 143 G HN 1.810 nan 8.290 nan 0.000 0.511 144 L N -3.540 117.664 121.223 -0.032 0.000 4.429 144 L HA -0.288 4.052 4.340 0.000 0.000 0.422 144 L C 1.995 178.913 176.870 0.079 0.000 1.149 144 L CA 1.611 56.453 54.840 0.005 0.000 0.972 144 L CB -1.435 40.391 42.059 -0.388 0.000 2.059 144 L HN 0.460 nan 8.230 nan 0.000 0.870 145 M N -1.452 118.184 119.600 0.060 0.000 2.564 145 M HA 0.310 4.790 4.480 0.000 0.000 0.254 145 M C 0.763 177.130 176.300 0.112 0.000 1.299 145 M CA 1.157 56.516 55.300 0.097 0.000 1.143 145 M CB 0.811 33.445 32.600 0.057 0.000 1.427 145 M HN 0.228 nan 8.290 nan 0.000 0.538 146 V N -2.994 116.969 119.914 0.080 0.000 3.165 146 V HA 1.035 5.155 4.120 0.000 0.000 0.309 146 V C -0.178 175.992 176.094 0.126 0.000 1.267 146 V CA -0.317 62.027 62.300 0.073 0.000 1.067 146 V CB 1.078 32.922 31.823 0.036 0.000 1.082 146 V HN 0.525 nan 8.190 nan 0.000 0.451 147 G N -0.896 107.979 108.800 0.124 0.000 2.570 147 G HA2 0.567 4.527 3.960 0.000 0.000 0.686 147 G HA3 0.567 4.527 3.960 0.000 0.000 0.686 147 G C -0.561 174.360 174.900 0.035 0.000 1.257 147 G CA -0.142 45.098 45.100 0.234 0.000 0.846 147 G HN 2.684 nan 8.290 nan 0.000 0.627 148 A N -0.915 121.681 122.820 -0.374 0.000 2.602 148 A HA 1.076 5.396 4.320 0.000 0.000 0.290 148 A C 0.846 178.084 177.584 -0.577 0.000 1.114 148 A CA 0.679 52.387 52.037 -0.549 0.000 0.683 148 A CB 0.845 19.710 19.000 -0.225 0.000 1.281 148 A HN 2.558 nan 8.150 nan 0.000 0.416 149 A N -0.195 122.447 122.820 -0.297 0.000 1.975 149 A HA 0.203 4.523 4.320 0.000 0.000 0.215 149 A C 1.945 179.577 177.584 0.080 0.000 1.170 149 A CA 1.994 54.020 52.037 -0.018 0.000 0.656 149 A CB -0.708 18.342 19.000 0.085 0.000 0.821 149 A HN 0.964 nan 8.150 nan 0.000 0.449 150 S N -0.101 115.588 115.700 -0.019 0.000 2.442 150 S HA -0.115 4.355 4.470 0.000 0.000 0.236 150 S C 1.819 176.304 174.600 -0.193 0.000 1.007 150 S CA 1.553 59.697 58.200 -0.093 0.000 0.965 150 S CB -0.443 62.596 63.200 -0.268 0.000 0.773 150 S HN 0.654 nan 8.310 nan 0.000 0.504 151 T N 0.854 115.308 114.554 -0.167 0.000 2.897 151 T HA -0.063 4.287 4.350 0.000 0.000 0.271 151 T C -0.255 174.134 174.700 -0.518 0.000 1.084 151 T CA 1.041 62.952 62.100 -0.315 0.000 1.123 151 T CB -0.217 68.470 68.868 -0.302 0.000 0.865 151 T HN 0.374 nan 8.240 nan 0.000 0.496 152 Y N 1.318 121.406 120.300 -0.353 0.000 2.342 152 Y HA 0.456 5.006 4.550 0.000 0.000 0.338 152 Y C -0.136 175.380 175.900 -0.640 0.000 0.965 152 Y CA -2.392 55.282 58.100 -0.710 0.000 1.159 152 Y CB 0.703 38.468 38.460 -1.159 0.000 1.157 152 Y HN -0.136 nan 8.280 nan 0.000 0.486 153 D N 2.328 122.427 120.400 -0.502 0.000 2.359 153 D HA 0.237 4.877 4.640 0.000 0.000 0.230 153 D C 0.880 176.871 176.300 -0.515 0.000 1.118 153 D CA -0.217 53.514 54.000 -0.448 0.000 0.844 153 D CB 1.310 41.995 40.800 -0.193 0.000 1.059 153 D HN 0.837 nan 8.370 nan 0.000 0.493 154 G N 3.173 111.409 108.800 -0.940 0.000 3.181 154 G HA2 -0.069 3.891 3.960 0.000 0.000 0.219 154 G HA3 -0.069 3.891 3.960 0.000 0.000 0.219 154 G C 1.271 176.078 174.900 -0.156 0.000 1.182 154 G CA -0.159 44.713 45.100 -0.380 0.000 0.791 154 G HN 0.496 nan 8.290 nan 0.000 0.537 155 L N 1.402 122.560 121.223 -0.109 0.000 1.990 155 L HA -0.011 4.329 4.340 0.000 0.000 0.213 155 L C 2.885 179.754 176.870 -0.002 0.000 1.072 155 L CA 2.583 57.481 54.840 0.097 0.000 0.755 155 L CB -0.589 41.545 42.059 0.125 0.000 0.889 155 L HN 0.203 nan 8.230 nan 0.000 0.432 156 A N -0.717 122.109 122.820 0.011 0.000 1.845 156 A HA -0.201 4.119 4.320 0.000 0.000 0.215 156 A C 2.268 179.844 177.584 -0.014 0.000 1.195 156 A CA 1.861 53.900 52.037 0.003 0.000 0.616 156 A CB -1.211 17.862 19.000 0.122 0.000 0.832 156 A HN 0.502 nan 8.150 nan 0.000 0.443 157 L N -0.175 121.072 121.223 0.040 0.000 2.081 157 L HA -0.163 4.177 4.340 0.000 0.000 0.212 157 L C 2.621 179.509 176.870 0.031 0.000 1.080 157 L CA 2.282 57.139 54.840 0.028 0.000 0.754 157 L CB -0.687 41.399 42.059 0.045 0.000 0.893 157 L HN 0.388 nan 8.230 nan 0.000 0.433 158 A N -0.596 122.250 122.820 0.044 0.000 1.841 158 A HA -0.063 4.257 4.320 0.000 0.000 0.214 158 A C 2.447 180.013 177.584 -0.029 0.000 1.195 158 A CA 1.981 54.056 52.037 0.063 0.000 0.611 158 A CB -1.347 17.738 19.000 0.143 0.000 0.835 158 A HN 0.560 nan 8.150 nan 0.000 0.443 159 A N -1.439 121.263 122.820 -0.196 0.000 1.858 159 A HA -0.196 4.124 4.320 0.000 0.000 0.216 159 A C 2.096 179.398 177.584 -0.469 0.000 1.190 159 A CA 1.650 53.402 52.037 -0.475 0.000 0.617 159 A CB -1.063 17.323 19.000 -1.024 0.000 0.827 159 A HN 0.650 nan 8.150 nan 0.000 0.443 160 H N -0.703 118.089 119.070 -0.463 0.000 2.422 160 H HA -0.047 4.509 4.556 0.000 0.000 0.298 160 H C 0.847 176.191 175.328 0.026 0.000 1.098 160 H CA 1.639 57.613 56.048 -0.124 0.000 1.315 160 H CB 0.276 29.866 29.762 -0.286 0.000 1.382 160 H HN 0.405 nan 8.280 nan 0.000 0.523 161 E N -0.021 120.239 120.200 0.099 0.000 2.660 161 E HA 0.021 4.371 4.350 0.000 0.000 0.216 161 E C -0.267 176.384 176.600 0.084 0.000 0.986 161 E CA -0.340 56.115 56.400 0.092 0.000 1.037 161 E CB -0.279 29.463 29.700 0.070 0.000 1.041 161 E HN 0.381 nan 8.360 nan 0.000 0.480 162 N N 0.903 119.652 118.700 0.083 0.000 2.629 162 N HA -0.194 4.546 4.740 0.000 0.000 0.278 162 N C -0.743 174.820 175.510 0.088 0.000 1.102 162 N CA 0.593 53.696 53.050 0.088 0.000 0.759 162 N CB -0.613 37.932 38.487 0.097 0.000 0.911 162 N HN 0.004 nan 8.380 nan 0.000 0.553 163 V N -1.707 118.266 119.914 0.097 0.000 3.120 163 V HA 0.579 4.699 4.120 0.000 0.000 0.303 163 V C 0.127 176.309 176.094 0.147 0.000 1.238 163 V CA -1.075 61.290 62.300 0.109 0.000 1.008 163 V CB 1.981 33.859 31.823 0.092 0.000 1.064 163 V HN -0.083 nan 8.190 nan 0.000 0.434 164 V N 3.086 123.100 119.914 0.166 0.000 2.427 164 V HA 0.392 4.512 4.120 0.000 0.000 0.268 164 V C 0.225 176.463 176.094 0.241 0.000 1.046 164 V CA -0.208 62.218 62.300 0.209 0.000 0.970 164 V CB 1.054 32.999 31.823 0.203 0.000 1.001 164 V HN 0.718 nan 8.190 nan 0.000 0.476 165 V N 6.477 126.569 119.914 0.298 0.000 2.370 165 V HA 0.485 4.605 4.120 0.000 0.000 0.279 165 V C 0.002 176.337 176.094 0.403 0.000 1.029 165 V CA -0.383 62.128 62.300 0.352 0.000 0.870 165 V CB 1.671 33.691 31.823 0.328 0.000 0.984 165 V HN 0.634 nan 8.190 nan 0.000 0.451 166 V N 3.624 123.764 119.914 0.376 0.000 2.769 166 V HA 0.761 4.881 4.120 0.000 0.000 0.312 166 V C 0.066 176.360 176.094 0.334 0.000 1.061 166 V CA -0.576 61.917 62.300 0.321 0.000 0.931 166 V CB 2.377 34.332 31.823 0.220 0.000 1.010 166 V HN 0.967 nan 8.190 nan 0.000 0.433 167 T N 1.552 116.281 114.554 0.292 0.000 2.881 167 T HA 0.768 5.118 4.350 0.000 0.000 0.291 167 T C -0.591 174.234 174.700 0.209 0.000 0.990 167 T CA -0.518 61.757 62.100 0.291 0.000 0.976 167 T CB 1.272 70.315 68.868 0.292 0.000 0.970 167 T HN 0.734 nan 8.240 nan 0.000 0.438 168 I N 0.336 121.019 120.570 0.188 0.000 3.062 168 I HA 0.710 4.880 4.170 0.000 0.000 0.316 168 I C -0.506 175.785 176.117 0.289 0.000 1.041 168 I CA -1.238 60.162 61.300 0.166 0.000 1.069 168 I CB 1.634 39.655 38.000 0.035 0.000 1.300 168 I HN 0.592 nan 8.210 nan 0.000 0.518 169 Q N 0.860 120.882 119.800 0.370 0.000 2.484 169 Q HA 0.595 4.935 4.340 0.000 0.000 0.285 169 Q C -1.995 174.270 176.000 0.441 0.000 1.097 169 Q CA -0.811 55.157 55.803 0.276 0.000 0.802 169 Q CB 3.031 31.862 28.738 0.155 0.000 1.444 169 Q HN 0.750 nan 8.270 nan 0.000 0.429 170 Y N -3.017 117.429 120.300 0.242 0.000 2.573 170 Y HA 0.443 4.993 4.550 0.000 0.000 0.328 170 Y C -1.140 174.830 175.900 0.116 0.000 1.170 170 Y CA -1.389 56.815 58.100 0.173 0.000 1.078 170 Y CB 0.621 39.169 38.460 0.146 0.000 1.341 170 Y HN 0.431 nan 8.280 nan 0.000 0.459 171 R N 2.626 123.223 120.500 0.163 0.000 2.523 171 R HA 0.290 4.630 4.340 0.000 0.000 0.281 171 R C -0.997 175.420 176.300 0.195 0.000 0.969 171 R CA 0.378 56.544 56.100 0.111 0.000 1.093 171 R CB 0.018 30.394 30.300 0.126 0.000 0.917 171 R HN 0.642 nan 8.270 nan 0.000 0.408 172 L N 2.019 123.370 121.223 0.214 0.000 2.342 172 L HA 0.587 4.927 4.340 0.000 0.000 0.271 172 L C 1.149 178.304 176.870 0.475 0.000 1.008 172 L CA -0.505 54.548 54.840 0.355 0.000 0.818 172 L CB 1.796 43.966 42.059 0.185 0.000 1.296 172 L HN 0.895 nan 8.230 nan 0.000 0.427 173 G N 1.320 110.433 108.800 0.523 0.000 2.528 173 G HA2 -0.294 3.666 3.960 0.000 0.000 0.262 173 G HA3 -0.294 3.666 3.960 0.000 0.000 0.262 173 G C 0.754 175.960 174.900 0.511 0.000 1.200 173 G CA 0.206 45.576 45.100 0.450 0.000 0.951 173 G HN 0.644 nan 8.290 nan 0.000 0.566 174 I N -0.606 120.222 120.570 0.429 0.000 2.113 174 I HA -0.247 3.923 4.170 0.000 0.000 0.242 174 I C 2.798 179.119 176.117 0.341 0.000 1.064 174 I CA 2.696 64.161 61.300 0.276 0.000 1.320 174 I CB -0.471 37.444 38.000 -0.143 0.000 1.028 174 I HN 0.573 nan 8.210 nan 0.000 0.406 175 W N 0.941 122.410 121.300 0.282 0.000 2.331 175 W HA -0.133 4.527 4.660 0.000 0.000 0.291 175 W C 2.280 178.900 176.519 0.168 0.000 1.214 175 W CA 1.380 58.796 57.345 0.118 0.000 1.228 175 W CB -0.696 28.760 29.460 -0.007 0.000 1.135 175 W HN 0.289 nan 8.180 nan 0.000 0.537 176 G N -2.924 106.116 108.800 0.400 0.000 3.192 176 G HA2 0.135 4.095 3.960 0.000 0.000 0.239 176 G HA3 0.135 4.095 3.960 0.000 0.000 0.239 176 G C 0.417 175.059 174.900 -0.430 0.000 1.084 176 G CA -0.065 45.052 45.100 0.029 0.000 0.784 176 G HN 0.101 nan 8.290 nan 0.000 0.540 177 F N -0.720 119.481 119.950 0.419 0.000 2.936 177 F HA 0.403 4.930 4.527 0.000 0.000 0.334 177 F C 0.009 175.927 175.800 0.197 0.000 1.170 177 F CA -1.645 56.469 58.000 0.191 0.000 1.104 177 F CB 0.293 39.329 39.000 0.061 0.000 1.216 177 F HN 0.010 nan 8.300 nan 0.000 0.518 178 F N 2.271 122.445 119.950 0.374 0.000 2.506 178 F HA 0.445 4.972 4.527 0.000 0.000 0.371 178 F C 0.371 176.270 175.800 0.165 0.000 1.078 178 F CA 0.012 58.136 58.000 0.206 0.000 1.195 178 F CB 0.516 39.573 39.000 0.095 0.000 1.099 178 F HN -0.086 nan 8.300 nan 0.000 0.548 179 S N 3.713 119.051 115.700 -0.603 0.000 2.571 179 S HA 0.300 4.770 4.470 0.000 0.000 0.284 179 S C 0.447 174.709 174.600 -0.564 0.000 1.128 179 S CA -0.053 57.902 58.200 -0.408 0.000 0.970 179 S CB 1.283 64.356 63.200 -0.212 0.000 1.039 179 S HN 0.826 nan 8.310 nan 0.000 0.485 180 T N 1.243 115.582 114.554 -0.358 0.000 3.100 180 T HA 0.394 4.744 4.350 0.000 0.000 0.253 180 T C 1.553 176.182 174.700 -0.118 0.000 1.118 180 T CA 0.851 62.813 62.100 -0.229 0.000 1.058 180 T CB -0.162 68.677 68.868 -0.049 0.000 0.953 180 T HN 1.792 nan 8.240 nan 0.000 0.515 181 G N 2.070 110.807 108.800 -0.105 0.000 2.284 181 G HA2 -0.271 3.689 3.960 0.000 0.000 0.230 181 G HA3 -0.271 3.689 3.960 0.000 0.000 0.230 181 G C 0.163 175.045 174.900 -0.029 0.000 1.021 181 G CA 0.350 45.409 45.100 -0.069 0.000 0.619 181 G HN 0.782 nan 8.290 nan 0.000 0.510 182 D N 0.510 120.917 120.400 0.012 0.000 2.350 182 D HA 0.399 5.039 4.640 0.000 0.000 0.272 182 D C 1.518 177.824 176.300 0.009 0.000 1.204 182 D CA 0.563 54.580 54.000 0.028 0.000 1.124 182 D CB -0.481 40.376 40.800 0.096 0.000 1.189 182 D HN 0.338 nan 8.370 nan 0.000 0.556 183 E N -0.918 119.257 120.200 -0.042 0.000 2.498 183 E HA -0.049 4.301 4.350 0.000 0.000 0.203 183 E C 0.666 177.181 176.600 -0.142 0.000 1.013 183 E CA 0.097 56.434 56.400 -0.104 0.000 0.927 183 E CB -0.388 29.212 29.700 -0.167 0.000 1.012 183 E HN 0.475 nan 8.360 nan 0.000 0.482 184 H N 0.794 119.924 119.070 0.100 0.000 2.533 184 H HA 0.237 4.793 4.556 0.000 0.000 0.271 184 H C 0.018 175.459 175.328 0.188 0.000 1.000 184 H CA 0.578 56.699 56.048 0.121 0.000 1.149 184 H CB 0.681 30.495 29.762 0.086 0.000 1.375 184 H HN 0.106 nan 8.280 nan 0.000 0.582 185 S N -0.055 115.835 115.700 0.316 0.000 3.459 185 S HA 0.041 4.511 4.470 0.000 0.000 0.117 185 S C 0.929 175.736 174.600 0.345 0.000 0.859 185 S CA -0.529 57.970 58.200 0.499 0.000 0.826 185 S CB -0.407 63.032 63.200 0.398 0.000 1.338 185 S HN 0.266 nan 8.310 nan 0.000 0.668 186 R N 1.217 121.834 120.500 0.195 0.000 2.185 186 R HA 0.055 4.395 4.340 0.000 0.000 0.247 186 R C 1.525 177.630 176.300 -0.325 0.000 1.159 186 R CA 1.382 57.426 56.100 -0.093 0.000 0.988 186 R CB -0.373 29.844 30.300 -0.139 0.000 0.871 186 R HN 0.958 nan 8.270 nan 0.000 0.458 187 G N -0.078 108.294 108.800 -0.713 0.000 2.698 187 G HA2 -0.274 3.686 3.960 0.000 0.000 0.225 187 G HA3 -0.274 3.686 3.960 0.000 0.000 0.225 187 G C -0.367 173.790 174.900 -1.239 0.000 1.345 187 G CA -0.327 44.181 45.100 -0.986 0.000 0.871 187 G HN 0.286 nan 8.290 nan 0.000 0.540 188 N N -1.423 116.891 118.700 -0.644 0.000 2.776 188 N HA -0.187 4.553 4.740 0.000 0.000 0.250 188 N C 1.135 176.397 175.510 -0.413 0.000 1.112 188 N CA 1.955 54.839 53.050 -0.276 0.000 0.733 188 N CB -1.616 36.815 38.487 -0.093 0.000 1.097 188 N HN 0.710 nan 8.380 nan 0.000 0.558 189 W N 0.431 121.623 121.300 -0.179 0.000 2.338 189 W HA -0.087 4.573 4.660 0.000 0.000 0.304 189 W C 2.466 178.827 176.519 -0.262 0.000 1.212 189 W CA 0.777 58.032 57.345 -0.149 0.000 1.264 189 W CB -0.654 28.755 29.460 -0.086 0.000 1.142 189 W HN 0.295 nan 8.180 nan 0.000 0.512 190 G N -0.051 108.415 108.800 -0.557 0.000 2.440 190 G HA2 -0.279 3.681 3.960 0.000 0.000 0.218 190 G HA3 -0.279 3.681 3.960 0.000 0.000 0.218 190 G C 1.239 176.020 174.900 -0.199 0.000 1.154 190 G CA 1.408 46.228 45.100 -0.466 0.000 0.767 190 G HN 0.305 nan 8.290 nan 0.000 0.552 191 H N 0.136 119.172 119.070 -0.057 0.000 2.395 191 H HA 0.127 4.683 4.556 0.000 0.000 0.299 191 H C 2.737 178.054 175.328 -0.018 0.000 1.070 191 H CA 0.716 56.740 56.048 -0.039 0.000 1.356 191 H CB -0.259 29.506 29.762 0.006 0.000 1.401 191 H HN 0.264 nan 8.280 nan 0.000 0.524 192 L N 0.466 121.770 121.223 0.134 0.000 2.201 192 L HA -0.149 4.191 4.340 0.000 0.000 0.212 192 L C 1.843 178.817 176.870 0.173 0.000 1.105 192 L CA 0.853 55.777 54.840 0.141 0.000 0.775 192 L CB -0.127 42.035 42.059 0.171 0.000 0.913 192 L HN 0.084 nan 8.230 nan 0.000 0.440 193 D N -0.506 120.005 120.400 0.185 0.000 2.183 193 D HA -0.146 4.494 4.640 0.000 0.000 0.203 193 D C 2.305 178.768 176.300 0.272 0.000 0.969 193 D CA 0.880 55.045 54.000 0.274 0.000 0.842 193 D CB 0.075 41.046 40.800 0.285 0.000 0.957 193 D HN 0.364 nan 8.370 nan 0.000 0.484 194 Q N -0.106 119.766 119.800 0.120 0.000 2.083 194 Q HA -0.042 4.298 4.340 0.000 0.000 0.198 194 Q C 2.245 178.248 176.000 0.004 0.000 0.969 194 Q CA 0.763 56.573 55.803 0.012 0.000 0.838 194 Q CB 0.121 28.786 28.738 -0.121 0.000 0.900 194 Q HN 0.164 nan 8.270 nan 0.000 0.436 195 V N 1.310 121.253 119.914 0.049 0.000 2.490 195 V HA -0.265 3.855 4.120 0.000 0.000 0.250 195 V C 2.298 178.444 176.094 0.088 0.000 1.061 195 V CA 1.698 64.032 62.300 0.057 0.000 1.064 195 V CB -1.023 30.845 31.823 0.075 0.000 0.670 195 V HN 0.373 nan 8.190 nan 0.000 0.461 196 A N 0.273 123.180 122.820 0.145 0.000 1.877 196 A HA -0.125 4.195 4.320 0.000 0.000 0.216 196 A C 2.464 180.140 177.584 0.154 0.000 1.186 196 A CA 2.149 54.319 52.037 0.223 0.000 0.620 196 A CB -0.821 18.401 19.000 0.371 0.000 0.822 196 A HN 0.561 nan 8.150 nan 0.000 0.443 197 A N -0.237 122.485 122.820 -0.163 0.000 1.877 197 A HA -0.078 4.242 4.320 0.000 0.000 0.216 197 A C 2.148 179.687 177.584 -0.074 0.000 1.186 197 A CA 1.513 53.204 52.037 -0.577 0.000 0.620 197 A CB -0.731 17.640 19.000 -1.048 0.000 0.822 197 A HN 0.474 nan 8.150 nan 0.000 0.443 198 L N -1.085 120.121 121.223 -0.029 0.000 2.129 198 L HA -0.252 4.088 4.340 0.000 0.000 0.212 198 L C 2.880 179.811 176.870 0.101 0.000 1.087 198 L CA 1.498 56.370 54.840 0.053 0.000 0.757 198 L CB -0.404 41.683 42.059 0.047 0.000 0.896 198 L HN 0.411 nan 8.230 nan 0.000 0.434 199 R N -1.525 119.047 120.500 0.120 0.000 2.073 199 R HA -0.192 4.148 4.340 0.000 0.000 0.229 199 R C 2.068 178.454 176.300 0.144 0.000 1.120 199 R CA 1.636 57.809 56.100 0.121 0.000 0.967 199 R CB -0.414 29.966 30.300 0.135 0.000 0.862 199 R HN 0.385 nan 8.270 nan 0.000 0.436 200 W N 1.116 122.439 121.300 0.038 0.000 2.335 200 W HA -0.236 4.424 4.660 0.000 0.000 0.311 200 W C 1.757 178.295 176.519 0.033 0.000 1.213 200 W CA 1.422 58.803 57.345 0.061 0.000 1.274 200 W CB -0.285 29.228 29.460 0.087 0.000 1.148 200 W HN -0.229 nan 8.180 nan 0.000 0.498 201 V N 0.819 120.935 119.914 0.337 0.000 2.220 201 V HA -0.396 3.724 4.120 0.000 0.000 0.246 201 V C 2.527 178.605 176.094 -0.027 0.000 1.049 201 V CA 2.341 64.748 62.300 0.179 0.000 1.003 201 V CB -1.364 30.584 31.823 0.208 0.000 0.634 201 V HN 0.222 nan 8.190 nan 0.000 0.444 202 Q N -0.635 119.177 119.800 0.020 0.000 2.268 202 Q HA -0.271 4.069 4.340 0.000 0.000 0.210 202 Q C 1.798 177.750 176.000 -0.079 0.000 0.988 202 Q CA 1.773 57.574 55.803 -0.004 0.000 0.883 202 Q CB -0.299 28.450 28.738 0.019 0.000 0.911 202 Q HN 0.680 nan 8.270 nan 0.000 0.430 203 D N -1.472 118.823 120.400 -0.175 0.000 2.392 203 D HA 0.059 4.699 4.640 0.000 0.000 0.206 203 D C 1.018 177.094 176.300 -0.372 0.000 1.046 203 D CA 0.229 54.081 54.000 -0.247 0.000 0.865 203 D CB 0.411 41.061 40.800 -0.249 0.000 0.969 203 D HN 0.265 nan 8.370 nan 0.000 0.509 204 N N 0.052 118.423 118.700 -0.548 0.000 2.380 204 N HA -0.004 4.736 4.740 0.000 0.000 0.227 204 N C 1.647 177.015 175.510 -0.236 0.000 1.139 204 N CA -0.166 52.542 53.050 -0.571 0.000 0.843 204 N CB 0.887 38.622 38.487 -1.253 0.000 1.327 204 N HN -0.042 nan 8.380 nan 0.000 0.470 205 I N 2.901 123.359 120.570 -0.187 0.000 2.479 205 I HA -0.217 3.953 4.170 0.000 0.000 0.258 205 I C 2.045 178.244 176.117 0.136 0.000 1.165 205 I CA 0.687 62.040 61.300 0.088 0.000 1.422 205 I CB -0.252 37.798 38.000 0.084 0.000 1.087 205 I HN 0.107 nan 8.210 nan 0.000 0.441 206 A N -1.463 121.374 122.820 0.028 0.000 2.178 206 A HA -0.103 4.217 4.320 0.000 0.000 0.218 206 A C 2.333 179.919 177.584 0.004 0.000 1.157 206 A CA 1.770 53.816 52.037 0.015 0.000 0.689 206 A CB -0.521 18.462 19.000 -0.029 0.000 0.787 206 A HN 0.451 nan 8.150 nan 0.000 0.465 207 S N -1.773 113.918 115.700 -0.014 0.000 2.511 207 S HA 0.233 4.703 4.470 0.000 0.000 0.214 207 S C 0.525 174.999 174.600 -0.209 0.000 0.997 207 S CA -0.148 57.969 58.200 -0.138 0.000 0.908 207 S CB -0.167 62.881 63.200 -0.253 0.000 0.803 207 S HN 0.544 nan 8.310 nan 0.000 0.504 208 F N 1.715 121.650 119.950 -0.025 0.000 2.645 208 F HA 0.347 4.874 4.527 0.000 0.000 0.300 208 F C 1.618 177.460 175.800 0.071 0.000 1.115 208 F CA -0.111 57.898 58.000 0.016 0.000 1.355 208 F CB 0.050 39.051 39.000 0.001 0.000 1.026 208 F HN 0.278 nan 8.300 nan 0.000 0.536 209 G N 0.625 109.527 108.800 0.169 0.000 2.160 209 G HA2 -0.169 3.791 3.960 0.000 0.000 0.251 209 G HA3 -0.169 3.791 3.960 0.000 0.000 0.251 209 G C 0.491 175.476 174.900 0.141 0.000 1.008 209 G CA -0.072 45.111 45.100 0.139 0.000 0.724 209 G HN 0.752 nan 8.290 nan 0.000 0.514 210 G N -0.770 108.120 108.800 0.149 0.000 2.537 210 G HA2 0.574 4.534 3.960 0.000 0.000 0.323 210 G HA3 0.574 4.534 3.960 0.000 0.000 0.323 210 G C -0.532 174.421 174.900 0.089 0.000 1.207 210 G CA -0.257 44.920 45.100 0.129 0.000 0.976 210 G HN 0.689 nan 8.290 nan 0.000 0.487 211 N N 0.534 119.280 118.700 0.077 0.000 2.469 211 N HA 0.375 5.115 4.740 0.000 0.000 0.253 211 N C -1.333 174.213 175.510 0.061 0.000 0.970 211 N CA -2.155 50.925 53.050 0.049 0.000 0.940 211 N CB 2.234 40.737 38.487 0.027 0.000 1.128 211 N HN 0.103 nan 8.380 nan 0.000 0.503 212 P HA 0.017 nan 4.420 nan 0.000 0.236 212 P C 0.657 178.029 177.300 0.120 0.000 1.172 212 P CA 0.605 63.753 63.100 0.080 0.000 0.759 212 P CB 0.095 31.817 31.700 0.036 0.000 0.843 213 G N -0.913 107.900 108.800 0.022 0.000 2.921 213 G HA2 0.002 3.962 3.960 0.000 0.000 0.213 213 G HA3 0.002 3.962 3.960 0.000 0.000 0.213 213 G C 0.776 175.444 174.900 -0.385 0.000 1.143 213 G CA 0.129 45.135 45.100 -0.156 0.000 0.764 213 G HN 0.318 nan 8.290 nan 0.000 0.542 214 S N 0.609 116.277 115.700 -0.053 0.000 2.474 214 S HA 0.442 4.912 4.470 0.000 0.000 0.224 214 S C -0.331 174.381 174.600 0.187 0.000 1.209 214 S CA -0.386 57.825 58.200 0.018 0.000 1.212 214 S CB 0.069 63.251 63.200 -0.030 0.000 1.137 214 S HN -0.042 nan 8.310 nan 0.000 0.446 215 V N 2.499 122.647 119.914 0.390 0.000 2.530 215 V HA 0.438 4.558 4.120 0.000 0.000 0.282 215 V C 0.345 176.577 176.094 0.232 0.000 1.048 215 V CA 0.009 62.464 62.300 0.259 0.000 0.997 215 V CB 1.494 33.448 31.823 0.218 0.000 0.987 215 V HN 0.523 nan 8.190 nan 0.000 0.477 216 T N 6.321 120.983 114.554 0.180 0.000 2.847 216 T HA 0.547 4.897 4.350 0.000 0.000 0.291 216 T C -0.234 174.596 174.700 0.218 0.000 0.998 216 T CA -0.219 61.976 62.100 0.158 0.000 0.967 216 T CB 0.804 69.706 68.868 0.057 0.000 0.954 216 T HN 0.615 nan 8.240 nan 0.000 0.441 217 I N 1.515 122.200 120.570 0.192 0.000 2.488 217 I HA 0.927 5.097 4.170 0.000 0.000 0.299 217 I C -0.870 175.465 176.117 0.365 0.000 0.984 217 I CA -0.932 60.496 61.300 0.214 0.000 1.250 217 I CB 1.087 39.007 38.000 -0.134 0.000 1.389 217 I HN 0.532 nan 8.210 nan 0.000 0.488 218 F N 2.199 122.166 119.950 0.030 0.000 2.693 218 F HA 0.969 5.496 4.527 0.000 0.000 0.309 218 F C -0.590 175.107 175.800 -0.172 0.000 1.129 218 F CA -1.100 56.935 58.000 0.058 0.000 0.948 218 F CB 1.089 40.248 39.000 0.265 0.000 1.315 218 F HN 0.899 nan 8.300 nan 0.000 0.447 219 G N 0.567 109.145 108.800 -0.370 0.000 2.489 219 G HA2 0.473 4.433 3.960 0.000 0.000 0.291 219 G HA3 0.473 4.433 3.960 0.000 0.000 0.291 219 G C -2.627 171.976 174.900 -0.495 0.000 1.487 219 G CA -0.796 43.618 45.100 -1.145 0.000 0.795 219 G HN 0.938 nan 8.290 nan 0.000 0.513 220 E N 0.384 120.299 120.200 -0.476 0.000 2.227 220 E HA 0.644 4.994 4.350 0.000 0.000 0.268 220 E C 0.749 177.373 176.600 0.040 0.000 0.907 220 E CA 0.454 56.840 56.400 -0.023 0.000 0.786 220 E CB 2.072 31.872 29.700 0.166 0.000 1.191 220 E HN 1.206 nan 8.360 nan 0.000 0.411 221 S N 2.937 118.729 115.700 0.154 0.000 4.116 221 S HA -0.400 4.070 4.470 0.000 0.000 0.623 221 S C 1.526 176.194 174.600 0.114 0.000 1.933 221 S CA 2.320 60.682 58.200 0.271 0.000 4.224 221 S CB -1.731 61.693 63.200 0.373 0.000 0.208 221 S HN 1.079 nan 8.310 nan 0.000 0.527 222 A N 1.184 124.047 122.820 0.071 0.000 1.917 222 A HA 0.067 4.387 4.320 0.000 0.000 0.219 222 A C 2.669 180.204 177.584 -0.082 0.000 1.182 222 A CA 2.919 54.944 52.037 -0.020 0.000 0.633 222 A CB -1.812 17.170 19.000 -0.030 0.000 0.819 222 A HN 1.775 nan 8.150 nan 0.000 0.448 223 G N -0.781 107.932 108.800 -0.145 0.000 2.433 223 G HA2 0.027 3.987 3.960 0.000 0.000 0.216 223 G HA3 0.027 3.987 3.960 0.000 0.000 0.216 223 G C 1.612 176.380 174.900 -0.220 0.000 1.186 223 G CA 1.294 46.226 45.100 -0.280 0.000 0.779 223 G HN 0.775 nan 8.290 nan 0.000 0.543 224 G N 0.581 109.294 108.800 -0.145 0.000 2.513 224 G HA2 -0.300 3.660 3.960 0.000 0.000 0.219 224 G HA3 -0.300 3.660 3.960 0.000 0.000 0.219 224 G C 1.618 176.495 174.900 -0.039 0.000 1.160 224 G CA 1.397 46.465 45.100 -0.052 0.000 0.767 224 G HN 0.459 nan 8.290 nan 0.000 0.571 225 E N 0.747 120.925 120.200 -0.037 0.000 2.031 225 E HA -0.133 4.217 4.350 0.000 0.000 0.193 225 E C 2.715 179.264 176.600 -0.085 0.000 0.994 225 E CA 1.404 57.773 56.400 -0.052 0.000 0.800 225 E CB -0.508 29.157 29.700 -0.058 0.000 0.752 225 E HN 0.322 nan 8.360 nan 0.000 0.447 226 S N 0.199 115.856 115.700 -0.073 0.000 2.372 226 S HA -0.189 4.281 4.470 0.000 0.000 0.227 226 S C 2.137 176.625 174.600 -0.187 0.000 1.044 226 S CA 1.556 59.717 58.200 -0.065 0.000 1.050 226 S CB -0.420 62.707 63.200 -0.123 0.000 0.901 226 S HN 0.181 nan 8.310 nan 0.000 0.447 227 V N 1.040 120.835 119.914 -0.199 0.000 2.233 227 V HA -0.198 3.922 4.120 0.000 0.000 0.247 227 V C 2.548 178.490 176.094 -0.253 0.000 1.050 227 V CA 2.114 64.263 62.300 -0.252 0.000 1.010 227 V CB -1.151 30.562 31.823 -0.183 0.000 0.637 227 V HN 0.588 nan 8.190 nan 0.000 0.444 228 S N -0.456 115.162 115.700 -0.137 0.000 2.381 228 S HA -0.245 4.225 4.470 0.000 0.000 0.230 228 S C 1.967 176.476 174.600 -0.152 0.000 1.052 228 S CA 2.278 60.423 58.200 -0.092 0.000 1.068 228 S CB -0.398 62.816 63.200 0.023 0.000 0.918 228 S HN 0.305 nan 8.310 nan 0.000 0.448 229 V N 1.698 121.498 119.914 -0.190 0.000 2.261 229 V HA -0.162 3.958 4.120 0.000 0.000 0.246 229 V C 2.432 178.392 176.094 -0.223 0.000 1.047 229 V CA 2.110 64.262 62.300 -0.247 0.000 1.015 229 V CB -0.719 30.841 31.823 -0.438 0.000 0.642 229 V HN 0.494 nan 8.190 nan 0.000 0.446 230 L N -0.365 120.707 121.223 -0.250 0.000 2.187 230 L HA -0.173 4.167 4.340 0.000 0.000 0.213 230 L C 2.312 179.152 176.870 -0.050 0.000 1.100 230 L CA 0.932 55.654 54.840 -0.197 0.000 0.765 230 L CB -0.537 41.322 42.059 -0.334 0.000 0.904 230 L HN 0.210 nan 8.230 nan 0.000 0.437 231 V N -0.363 119.496 119.914 -0.091 0.000 2.515 231 V HA -0.229 3.891 4.120 0.000 0.000 0.250 231 V C 2.074 178.288 176.094 0.199 0.000 1.058 231 V CA 1.463 63.819 62.300 0.093 0.000 1.064 231 V CB -0.211 31.486 31.823 -0.210 0.000 0.675 231 V HN 0.376 nan 8.190 nan 0.000 0.461 232 L N -0.865 120.387 121.223 0.048 0.000 2.298 232 L HA 0.141 4.481 4.340 0.000 0.000 0.209 232 L C 1.487 178.286 176.870 -0.119 0.000 1.084 232 L CA 0.402 55.221 54.840 -0.036 0.000 0.816 232 L CB -0.225 41.771 42.059 -0.106 0.000 0.967 232 L HN 0.203 nan 8.230 nan 0.000 0.460 233 S N 0.439 116.115 115.700 -0.040 0.000 2.562 233 S HA 0.113 4.583 4.470 0.000 0.000 0.281 233 S C -1.710 172.945 174.600 0.092 0.000 1.333 233 S CA -0.991 57.187 58.200 -0.037 0.000 1.052 233 S CB 0.853 64.033 63.200 -0.034 0.000 0.884 233 S HN -0.075 nan 8.310 nan 0.000 0.506 234 P HA 0.169 nan 4.420 nan 0.000 0.245 234 P C 0.727 178.098 177.300 0.119 0.000 1.212 234 P CA 0.371 63.578 63.100 0.178 0.000 0.774 234 P CB 0.152 31.902 31.700 0.084 0.000 0.999 235 L N -1.396 119.876 121.223 0.081 0.000 2.307 235 L HA 0.099 4.439 4.340 0.000 0.000 0.211 235 L C 2.058 178.977 176.870 0.082 0.000 1.099 235 L CA 0.771 55.651 54.840 0.066 0.000 0.816 235 L CB -0.604 41.486 42.059 0.051 0.000 0.952 235 L HN -0.055 nan 8.230 nan 0.000 0.455 236 A N -0.154 122.743 122.820 0.127 0.000 2.238 236 A HA -0.080 4.240 4.320 0.000 0.000 0.208 236 A C 1.137 178.773 177.584 0.086 0.000 1.177 236 A CA -0.060 52.103 52.037 0.211 0.000 0.804 236 A CB -0.324 18.918 19.000 0.404 0.000 0.823 236 A HN 0.206 nan 8.150 nan 0.000 0.482 237 K N 1.225 121.612 120.400 -0.023 0.000 2.440 237 K HA -0.109 4.211 4.320 0.000 0.000 0.275 237 K C -0.307 176.108 176.600 -0.310 0.000 1.082 237 K CA 0.647 56.783 56.287 -0.250 0.000 1.135 237 K CB -0.163 32.241 32.500 -0.159 0.000 0.864 237 K HN 0.352 nan 8.250 nan 0.000 0.479 238 N N 2.395 120.777 118.700 -0.530 0.000 2.901 238 N HA -0.198 4.542 4.740 0.000 0.000 0.248 238 N C 0.133 175.465 175.510 -0.297 0.000 1.044 238 N CA 1.032 53.846 53.050 -0.393 0.000 0.847 238 N CB -1.137 37.225 38.487 -0.208 0.000 1.127 238 N HN 0.614 nan 8.380 nan 0.000 0.562 239 L N -1.138 119.924 121.223 -0.268 0.000 2.513 239 L HA 0.224 4.564 4.340 0.000 0.000 0.222 239 L C 0.553 177.403 176.870 -0.033 0.000 1.096 239 L CA 0.478 55.292 54.840 -0.044 0.000 0.857 239 L CB -0.001 42.137 42.059 0.132 0.000 1.026 239 L HN 0.175 nan 8.230 nan 0.000 0.469 240 F N -4.098 115.584 119.950 -0.446 0.000 2.692 240 F HA 0.493 5.020 4.527 0.000 0.000 0.320 240 F C 0.503 175.812 175.800 -0.818 0.000 1.123 240 F CA -1.007 56.688 58.000 -0.508 0.000 0.961 240 F CB 0.800 39.679 39.000 -0.202 0.000 1.383 240 F HN -0.132 nan 8.300 nan 0.000 0.483 241 H N -0.731 118.375 119.070 0.060 0.000 3.540 241 H HA 0.431 4.987 4.556 0.000 0.000 0.259 241 H C -0.617 174.717 175.328 0.010 0.000 1.197 241 H CA -0.189 55.831 56.048 -0.046 0.000 1.136 241 H CB 0.847 30.580 29.762 -0.048 0.000 1.605 241 H HN 0.527 nan 8.280 nan 0.000 0.657 242 R N 0.490 121.110 120.500 0.201 0.000 2.594 242 R HA 0.696 5.036 4.340 0.000 0.000 0.265 242 R C -1.437 175.020 176.300 0.263 0.000 1.070 242 R CA -0.627 55.535 56.100 0.102 0.000 0.909 242 R CB 2.525 32.685 30.300 -0.233 0.000 1.243 242 R HN 0.118 nan 8.270 nan 0.000 0.455 243 A N 2.835 125.856 122.820 0.335 0.000 2.449 243 A HA 0.828 5.148 4.320 0.000 0.000 0.302 243 A C -1.046 176.763 177.584 0.374 0.000 1.048 243 A CA -0.697 51.472 52.037 0.220 0.000 0.708 243 A CB 1.197 20.118 19.000 -0.131 0.000 1.274 243 A HN 0.619 nan 8.150 nan 0.000 0.410 244 I N 1.175 121.905 120.570 0.267 0.000 2.512 244 I HA 0.348 4.518 4.170 0.000 0.000 0.287 244 I C -0.179 176.086 176.117 0.247 0.000 1.069 244 I CA -0.264 61.151 61.300 0.192 0.000 1.056 244 I CB 2.329 40.346 38.000 0.029 0.000 1.229 244 I HN 0.480 nan 8.210 nan 0.000 0.429 245 S N 5.012 120.849 115.700 0.229 0.000 2.456 245 S HA 0.408 4.878 4.470 0.000 0.000 0.316 245 S C -0.624 174.064 174.600 0.146 0.000 1.089 245 S CA -0.576 57.726 58.200 0.170 0.000 1.101 245 S CB 1.039 64.346 63.200 0.179 0.000 0.995 245 S HN 0.482 nan 8.310 nan 0.000 0.468 246 E N 1.893 122.209 120.200 0.194 0.000 2.114 246 E HA 0.382 4.732 4.350 0.000 0.000 0.266 246 E C -0.589 176.104 176.600 0.156 0.000 0.896 246 E CA -0.553 55.997 56.400 0.248 0.000 0.750 246 E CB 1.300 31.233 29.700 0.387 0.000 1.121 246 E HN 0.598 nan 8.360 nan 0.000 0.413 247 S N 2.055 117.833 115.700 0.129 0.000 3.625 247 S HA -0.083 4.387 4.470 0.000 0.000 0.426 247 S C 0.053 174.964 174.600 0.518 0.000 0.884 247 S CA 0.546 58.858 58.200 0.187 0.000 1.322 247 S CB -1.141 62.044 63.200 -0.026 0.000 0.905 247 S HN 1.065 nan 8.310 nan 0.000 0.586 248 G N -1.052 108.008 108.800 0.433 0.000 2.760 248 G HA2 0.429 4.389 3.960 0.000 0.000 0.540 248 G HA3 0.429 4.389 3.960 0.000 0.000 0.540 248 G C -0.691 174.256 174.900 0.079 0.000 1.476 248 G CA -0.040 45.218 45.100 0.263 0.000 0.949 248 G HN 1.593 nan 8.290 nan 0.000 0.633 249 V N -0.414 119.495 119.914 -0.007 0.000 3.139 249 V HA 0.968 5.088 4.120 0.000 0.000 0.310 249 V C 1.523 177.583 176.094 -0.057 0.000 1.260 249 V CA 0.095 62.386 62.300 -0.014 0.000 1.064 249 V CB 1.041 32.851 31.823 -0.022 0.000 1.160 249 V HN 2.219 nan 8.190 nan 0.000 0.470 250 A N -0.891 121.902 122.820 -0.046 0.000 2.119 250 A HA 0.215 4.535 4.320 0.000 0.000 0.217 250 A C 1.741 179.274 177.584 -0.084 0.000 1.153 250 A CA 1.133 53.123 52.037 -0.077 0.000 0.692 250 A CB -0.652 18.302 19.000 -0.077 0.000 0.799 250 A HN 0.782 nan 8.150 nan 0.000 0.458 251 L N 0.005 121.182 121.223 -0.077 0.000 2.599 251 L HA 0.003 4.343 4.340 0.000 0.000 0.230 251 L C 0.396 177.196 176.870 -0.116 0.000 1.141 251 L CA 0.291 55.081 54.840 -0.082 0.000 0.877 251 L CB -0.084 41.932 42.059 -0.071 0.000 1.009 251 L HN 0.163 nan 8.230 nan 0.000 0.447 252 T N -0.131 114.334 114.554 -0.149 0.000 3.859 252 T HA 0.002 4.352 4.350 0.000 0.000 0.251 252 T C 1.512 176.102 174.700 -0.184 0.000 1.079 252 T CA -0.001 61.969 62.100 -0.216 0.000 1.151 252 T CB 0.262 68.959 68.868 -0.285 0.000 1.173 252 T HN 0.241 nan 8.240 nan 0.000 0.885 253 S N 1.956 117.567 115.700 -0.148 0.000 2.406 253 S HA -0.195 4.275 4.470 0.000 0.000 0.242 253 S C 2.293 176.808 174.600 -0.141 0.000 1.079 253 S CA 1.448 59.571 58.200 -0.127 0.000 1.133 253 S CB -0.613 62.522 63.200 -0.108 0.000 1.005 253 S HN 0.616 nan 8.310 nan 0.000 0.443 254 V N 0.903 120.719 119.914 -0.163 0.000 2.909 254 V HA -0.128 3.992 4.120 0.000 0.000 0.265 254 V C 1.233 177.239 176.094 -0.147 0.000 1.128 254 V CA 1.641 63.851 62.300 -0.149 0.000 1.149 254 V CB -0.406 31.322 31.823 -0.159 0.000 0.725 254 V HN 0.509 nan 8.190 nan 0.000 0.511 255 L N -1.006 120.122 121.223 -0.159 0.000 2.858 255 L HA 0.319 4.659 4.340 0.000 0.000 0.251 255 L C -0.167 176.604 176.870 -0.164 0.000 1.149 255 L CA -0.156 54.581 54.840 -0.172 0.000 0.955 255 L CB 1.243 43.201 42.059 -0.167 0.000 1.289 255 L HN 0.035 nan 8.230 nan 0.000 0.542 256 V N 0.901 120.734 119.914 -0.135 0.000 2.380 256 V HA 0.272 4.392 4.120 0.000 0.000 0.286 256 V C 0.026 176.060 176.094 -0.101 0.000 1.015 256 V CA -0.890 61.342 62.300 -0.115 0.000 0.834 256 V CB 1.646 33.407 31.823 -0.104 0.000 1.009 256 V HN 0.045 nan 8.190 nan 0.000 0.428 257 K N 4.132 124.473 120.400 -0.097 0.000 2.270 257 K HA 0.505 4.825 4.320 0.000 0.000 0.276 257 K C -0.420 176.138 176.600 -0.070 0.000 1.023 257 K CA -0.200 56.039 56.287 -0.081 0.000 0.955 257 K CB 1.296 33.746 32.500 -0.083 0.000 0.975 257 K HN 0.574 nan 8.250 nan 0.000 0.471 258 K N 0.202 120.567 120.400 -0.058 0.000 2.435 258 K HA 0.572 4.892 4.320 0.000 0.000 0.251 258 K C -0.210 176.364 176.600 -0.042 0.000 0.954 258 K CA -0.686 55.570 56.287 -0.052 0.000 0.820 258 K CB 2.021 34.491 32.500 -0.049 0.000 1.292 258 K HN 0.808 nan 8.250 nan 0.000 0.436 259 G N 1.351 110.127 108.800 -0.041 0.000 2.660 259 G HA2 -0.232 3.728 3.960 0.000 0.000 0.215 259 G HA3 -0.232 3.728 3.960 0.000 0.000 0.215 259 G C -1.217 173.660 174.900 -0.039 0.000 1.345 259 G CA -0.490 44.589 45.100 -0.034 0.000 0.877 259 G HN 0.738 nan 8.290 nan 0.000 0.549 260 D N 0.165 120.545 120.400 -0.033 0.000 2.349 260 D HA 0.330 4.970 4.640 0.000 0.000 0.266 260 D C 1.846 178.119 176.300 -0.045 0.000 1.293 260 D CA 0.759 54.737 54.000 -0.037 0.000 0.926 260 D CB 0.848 41.632 40.800 -0.028 0.000 1.090 260 D HN 1.244 nan 8.370 nan 0.000 0.502 261 V N 1.904 121.781 119.914 -0.062 0.000 3.306 261 V HA 0.017 4.137 4.120 0.000 0.000 0.264 261 V C 2.135 178.174 176.094 -0.092 0.000 1.149 261 V CA 0.495 62.746 62.300 -0.082 0.000 1.143 261 V CB -0.453 31.303 31.823 -0.111 0.000 0.767 261 V HN 0.292 nan 8.190 nan 0.000 0.476 262 K N 2.152 122.507 120.400 -0.075 0.000 2.059 262 K HA -0.104 4.216 4.320 0.000 0.000 0.212 262 K C -0.094 176.477 176.600 -0.049 0.000 1.050 262 K CA 2.462 58.709 56.287 -0.067 0.000 0.927 262 K CB -1.755 30.722 32.500 -0.039 0.000 0.714 262 K HN 0.441 nan 8.250 nan 0.000 0.447 263 P HA -0.178 nan 4.420 nan 0.000 0.216 263 P C 1.374 178.670 177.300 -0.007 0.000 1.150 263 P CA 1.121 64.211 63.100 -0.016 0.000 0.843 263 P CB 0.027 31.718 31.700 -0.015 0.000 0.787 264 L N -1.337 119.875 121.223 -0.019 0.000 2.068 264 L HA -0.075 4.265 4.340 0.000 0.000 0.204 264 L C 2.226 179.100 176.870 0.007 0.000 1.076 264 L CA 1.499 56.343 54.840 0.007 0.000 0.753 264 L CB -0.865 41.190 42.059 -0.007 0.000 0.910 264 L HN -0.061 nan 8.230 nan 0.000 0.439 265 A N 0.122 122.887 122.820 -0.092 0.000 1.873 265 A HA -0.301 4.019 4.320 0.000 0.000 0.218 265 A C 2.002 179.638 177.584 0.086 0.000 1.193 265 A CA 2.184 54.132 52.037 -0.149 0.000 0.629 265 A CB -0.746 18.058 19.000 -0.326 0.000 0.826 265 A HN 0.581 nan 8.150 nan 0.000 0.447 266 E N -1.003 119.221 120.200 0.040 0.000 2.118 266 E HA -0.262 4.088 4.350 0.000 0.000 0.195 266 E C 2.245 178.882 176.600 0.062 0.000 0.992 266 E CA 1.248 57.682 56.400 0.056 0.000 0.804 266 E CB -0.185 29.529 29.700 0.024 0.000 0.741 266 E HN 0.793 nan 8.360 nan 0.000 0.458 267 Q N 0.431 120.267 119.800 0.059 0.000 2.170 267 Q HA -0.157 4.183 4.340 0.000 0.000 0.203 267 Q C 2.090 178.131 176.000 0.070 0.000 0.976 267 Q CA 0.940 56.775 55.803 0.053 0.000 0.858 267 Q CB 0.095 28.865 28.738 0.053 0.000 0.907 267 Q HN 0.335 nan 8.270 nan 0.000 0.433 268 I N -0.177 120.470 120.570 0.128 0.000 2.277 268 I HA -0.141 4.029 4.170 0.000 0.000 0.243 268 I C 2.287 178.448 176.117 0.073 0.000 1.094 268 I CA 0.746 62.128 61.300 0.136 0.000 1.393 268 I CB -0.375 37.796 38.000 0.286 0.000 1.078 268 I HN 0.132 nan 8.210 nan 0.000 0.417 269 A N 0.811 123.692 122.820 0.101 0.000 2.125 269 A HA -0.123 4.197 4.320 0.000 0.000 0.219 269 A C 2.255 179.846 177.584 0.012 0.000 1.156 269 A CA 1.357 53.414 52.037 0.034 0.000 0.671 269 A CB -0.676 18.365 19.000 0.069 0.000 0.794 269 A HN 0.404 nan 8.150 nan 0.000 0.459 270 I N -0.450 120.133 120.570 0.021 0.000 2.296 270 I HA -0.139 4.031 4.170 0.000 0.000 0.242 270 I C 2.489 178.603 176.117 -0.006 0.000 1.087 270 I CA 1.630 62.933 61.300 0.006 0.000 1.393 270 I CB -0.399 37.606 38.000 0.009 0.000 1.093 270 I HN 0.433 nan 8.210 nan 0.000 0.421 271 T N -0.851 113.699 114.554 -0.008 0.000 3.163 271 T HA 0.125 4.475 4.350 0.000 0.000 0.260 271 T C 1.391 176.075 174.700 -0.027 0.000 1.156 271 T CA 0.681 62.769 62.100 -0.021 0.000 1.072 271 T CB -0.061 68.788 68.868 -0.032 0.000 0.937 271 T HN 0.322 nan 8.240 nan 0.000 0.528 272 A N 0.861 123.664 122.820 -0.028 0.000 2.169 272 A HA 0.651 4.971 4.320 0.000 0.000 0.210 272 A C 1.800 179.361 177.584 -0.039 0.000 1.168 272 A CA 0.309 52.321 52.037 -0.042 0.000 0.813 272 A CB -0.429 18.532 19.000 -0.066 0.000 0.861 272 A HN 1.280 nan 8.150 nan 0.000 0.481 273 G N -1.509 107.273 108.800 -0.030 0.000 2.215 273 G HA2 -0.147 3.813 3.960 0.000 0.000 0.198 273 G HA3 -0.147 3.813 3.960 0.000 0.000 0.198 273 G C -0.115 174.768 174.900 -0.029 0.000 1.047 273 G CA -0.142 44.943 45.100 -0.026 0.000 0.747 273 G HN 0.634 nan 8.290 nan 0.000 0.495 274 c N -0.840 117.744 118.600 -0.027 0.000 2.973 274 c HA 0.887 5.457 4.570 0.000 0.000 0.329 274 c C 0.598 174.682 174.090 -0.010 0.000 1.327 274 c CA -0.873 55.441 56.329 -0.025 0.000 1.632 274 c CB 1.958 44.444 42.510 -0.040 0.000 2.098 274 c HN 0.585 nan 8.230 nan 0.000 0.469 275 K N -0.029 120.369 120.400 -0.004 0.000 2.210 275 K HA 0.594 4.914 4.320 0.000 0.000 0.236 275 K C 0.491 177.097 176.600 0.009 0.000 1.016 275 K CA -0.113 56.176 56.287 0.003 0.000 0.913 275 K CB 0.812 33.315 32.500 0.005 0.000 1.141 275 K HN 0.823 nan 8.250 nan 0.000 0.462 276 T N -3.725 110.834 114.554 0.009 0.000 3.275 276 T HA 0.072 4.422 4.350 0.000 0.000 0.298 276 T C 0.898 175.601 174.700 0.004 0.000 0.988 276 T CA -0.286 61.821 62.100 0.012 0.000 0.936 276 T CB -0.103 68.774 68.868 0.016 0.000 1.159 276 T HN 0.403 nan 8.240 nan 0.000 0.519 277 T N 3.200 117.754 114.554 0.000 0.000 2.624 277 T HA -0.098 4.252 4.350 0.000 0.000 0.266 277 T C 1.058 175.750 174.700 -0.013 0.000 1.050 277 T CA 2.234 64.331 62.100 -0.006 0.000 1.163 277 T CB -0.655 68.208 68.868 -0.008 0.000 0.861 277 T HN 0.877 nan 8.240 nan 0.000 0.443 278 T N -1.438 113.103 114.554 -0.022 0.000 2.993 278 T HA 0.523 4.873 4.350 0.000 0.000 0.312 278 T C 1.142 175.812 174.700 -0.051 0.000 1.115 278 T CA -0.145 61.930 62.100 -0.042 0.000 1.027 278 T CB 2.057 70.881 68.868 -0.073 0.000 1.116 278 T HN 0.090 nan 8.240 nan 0.000 0.464 279 S N 2.540 118.214 115.700 -0.043 0.000 2.399 279 S HA -0.274 4.196 4.470 0.000 0.000 0.235 279 S C 2.407 176.965 174.600 -0.069 0.000 1.063 279 S CA 1.451 59.642 58.200 -0.015 0.000 1.070 279 S CB -1.319 61.899 63.200 0.030 0.000 0.904 279 S HN 1.313 nan 8.310 nan 0.000 0.456 280 A N 1.527 124.178 122.820 -0.282 0.000 1.883 280 A HA -0.010 4.310 4.320 0.000 0.000 0.217 280 A C 2.494 180.028 177.584 -0.083 0.000 1.186 280 A CA 1.978 53.806 52.037 -0.348 0.000 0.624 280 A CB -1.205 17.457 19.000 -0.565 0.000 0.822 280 A HN 0.533 nan 8.150 nan 0.000 0.444 281 V N -0.223 119.658 119.914 -0.055 0.000 2.358 281 V HA -0.297 3.823 4.120 0.000 0.000 0.246 281 V C 2.590 178.726 176.094 0.069 0.000 1.047 281 V CA 2.008 64.328 62.300 0.034 0.000 1.035 281 V CB -0.759 31.073 31.823 0.015 0.000 0.658 281 V HN 0.549 nan 8.190 nan 0.000 0.452 282 M N -0.201 119.419 119.600 0.034 0.000 2.180 282 M HA -0.210 4.270 4.480 0.000 0.000 0.260 282 M C 2.312 178.612 176.300 -0.001 0.000 1.071 282 M CA 2.160 57.478 55.300 0.030 0.000 1.096 282 M CB -0.655 31.992 32.600 0.078 0.000 1.276 282 M HN 0.266 nan 8.290 nan 0.000 0.426 283 V N -0.200 119.732 119.914 0.031 0.000 2.313 283 V HA -0.357 3.763 4.120 0.000 0.000 0.253 283 V C 2.287 178.400 176.094 0.032 0.000 1.070 283 V CA 2.605 64.892 62.300 -0.022 0.000 1.057 283 V CB -1.376 30.503 31.823 0.093 0.000 0.653 283 V HN 0.536 nan 8.190 nan 0.000 0.450 284 H N -0.621 118.445 119.070 -0.007 0.000 2.319 284 H HA -0.219 4.337 4.556 0.000 0.000 0.299 284 H C 2.358 177.683 175.328 -0.005 0.000 1.092 284 H CA 2.270 58.321 56.048 0.005 0.000 1.302 284 H CB -0.679 29.080 29.762 -0.005 0.000 1.373 284 H HN 0.501 nan 8.280 nan 0.000 0.497 285 c N -0.189 118.314 118.600 -0.162 0.000 2.457 285 c HA 0.020 4.590 4.570 0.000 0.000 0.278 285 c C 2.805 176.795 174.090 -0.166 0.000 1.309 285 c CA 0.553 56.757 56.329 -0.209 0.000 1.735 285 c CB -1.449 41.005 42.510 -0.094 0.000 1.992 285 c HN 0.649 nan 8.230 nan 0.000 0.493 286 L N 0.417 121.549 121.223 -0.150 0.000 2.131 286 L HA -0.088 4.252 4.340 0.000 0.000 0.210 286 L C 3.001 179.866 176.870 -0.007 0.000 1.092 286 L CA 1.233 55.984 54.840 -0.148 0.000 0.759 286 L CB -0.689 41.133 42.059 -0.395 0.000 0.903 286 L HN 0.378 nan 8.230 nan 0.000 0.435 287 R N -0.265 120.251 120.500 0.027 0.000 2.120 287 R HA -0.146 4.194 4.340 0.000 0.000 0.234 287 R C 2.134 178.382 176.300 -0.087 0.000 1.123 287 R CA 0.936 57.049 56.100 0.021 0.000 0.975 287 R CB -0.159 30.157 30.300 0.027 0.000 0.866 287 R HN 0.459 nan 8.270 nan 0.000 0.446 288 Q N 0.708 120.415 119.800 -0.156 0.000 2.245 288 Q HA 0.025 4.365 4.340 0.000 0.000 0.201 288 Q C 0.431 176.375 176.000 -0.092 0.000 0.955 288 Q CA 0.742 56.457 55.803 -0.146 0.000 0.870 288 Q CB 0.037 28.654 28.738 -0.202 0.000 0.945 288 Q HN 0.071 nan 8.270 nan 0.000 0.461 289 K N 1.858 122.206 120.400 -0.086 0.000 2.336 289 K HA 0.064 4.384 4.320 0.000 0.000 0.262 289 K C 0.722 177.301 176.600 -0.034 0.000 0.992 289 K CA 0.164 56.414 56.287 -0.061 0.000 0.927 289 K CB 0.222 32.678 32.500 -0.074 0.000 0.956 289 K HN 0.223 nan 8.250 nan 0.000 0.495 290 T N -2.932 111.617 114.554 -0.007 0.000 2.881 290 T HA 0.112 4.462 4.350 0.000 0.000 0.278 290 T C 1.275 176.027 174.700 0.086 0.000 0.982 290 T CA -0.599 61.516 62.100 0.024 0.000 0.989 290 T CB 1.409 70.288 68.868 0.018 0.000 1.058 290 T HN 0.614 nan 8.240 nan 0.000 0.529 291 E N 0.398 120.674 120.200 0.126 0.000 2.058 291 E HA -0.235 4.115 4.350 0.000 0.000 0.194 291 E C 1.833 178.558 176.600 0.208 0.000 0.997 291 E CA 1.698 58.241 56.400 0.239 0.000 0.801 291 E CB -0.109 29.658 29.700 0.111 0.000 0.746 291 E HN 0.828 nan 8.360 nan 0.000 0.450 292 E N 0.184 120.446 120.200 0.104 0.000 2.058 292 E HA -0.220 4.130 4.350 0.000 0.000 0.194 292 E C 2.135 178.785 176.600 0.085 0.000 0.997 292 E CA 1.502 57.950 56.400 0.080 0.000 0.801 292 E CB -0.063 29.661 29.700 0.040 0.000 0.746 292 E HN 0.399 nan 8.360 nan 0.000 0.450 293 E N 0.514 120.750 120.200 0.060 0.000 2.110 293 E HA -0.170 4.180 4.350 0.000 0.000 0.193 293 E C 2.258 178.876 176.600 0.031 0.000 0.988 293 E CA 0.739 57.157 56.400 0.030 0.000 0.804 293 E CB -0.084 29.618 29.700 0.002 0.000 0.745 293 E HN 0.293 nan 8.360 nan 0.000 0.458 294 L N 0.528 121.784 121.223 0.055 0.000 2.217 294 L HA -0.105 4.235 4.340 0.000 0.000 0.211 294 L C 2.484 179.419 176.870 0.108 0.000 1.107 294 L CA 0.274 55.093 54.840 -0.035 0.000 0.783 294 L CB -0.176 41.738 42.059 -0.241 0.000 0.919 294 L HN 0.174 nan 8.230 nan 0.000 0.442 295 L N -0.192 121.221 121.223 0.317 0.000 2.131 295 L HA -0.105 4.235 4.340 0.000 0.000 0.206 295 L C 2.223 179.192 176.870 0.165 0.000 1.087 295 L CA 1.617 56.669 54.840 0.353 0.000 0.767 295 L CB -0.364 41.860 42.059 0.276 0.000 0.917 295 L HN 0.125 nan 8.230 nan 0.000 0.441 296 E N -0.973 119.287 120.200 0.099 0.000 2.204 296 E HA -0.186 4.164 4.350 0.000 0.000 0.195 296 E C 1.835 178.449 176.600 0.023 0.000 0.990 296 E CA 1.583 58.011 56.400 0.048 0.000 0.821 296 E CB -0.051 29.666 29.700 0.028 0.000 0.750 296 E HN 0.543 nan 8.360 nan 0.000 0.477 297 T N 0.064 114.631 114.554 0.020 0.000 2.732 297 T HA -0.099 4.251 4.350 0.000 0.000 0.261 297 T C 1.922 176.599 174.700 -0.038 0.000 1.040 297 T CA 1.575 63.661 62.100 -0.022 0.000 1.145 297 T CB -0.340 68.507 68.868 -0.035 0.000 0.866 297 T HN 0.208 nan 8.240 nan 0.000 0.427 298 T N 2.686 117.273 114.554 0.056 0.000 2.822 298 T HA -0.045 4.305 4.350 0.000 0.000 0.270 298 T C 1.855 176.555 174.700 0.001 0.000 1.064 298 T CA 0.908 63.082 62.100 0.123 0.000 1.131 298 T CB -0.415 68.657 68.868 0.341 0.000 0.858 298 T HN 0.263 nan 8.240 nan 0.000 0.483 299 L N 0.032 121.257 121.223 0.004 0.000 2.102 299 L HA 0.072 4.412 4.340 0.000 0.000 0.202 299 L C 2.527 179.346 176.870 -0.085 0.000 1.076 299 L CA 1.107 55.935 54.840 -0.019 0.000 0.761 299 L CB -0.344 41.722 42.059 0.012 0.000 0.921 299 L HN 0.122 nan 8.230 nan 0.000 0.444 300 K N -0.366 119.978 120.400 -0.093 0.000 2.442 300 K HA -0.060 4.260 4.320 0.000 0.000 0.198 300 K C 1.783 178.269 176.600 -0.189 0.000 1.042 300 K CA 0.728 56.951 56.287 -0.107 0.000 0.958 300 K CB 0.044 32.498 32.500 -0.076 0.000 0.766 300 K HN 0.218 nan 8.250 nan 0.000 0.474 301 M N 0.532 119.925 119.600 -0.346 0.000 2.558 301 M HA -0.004 4.476 4.480 0.000 0.000 0.255 301 M C 0.005 175.974 176.300 -0.553 0.000 1.113 301 M CA 0.750 55.670 55.300 -0.632 0.000 1.097 301 M CB -0.392 31.349 32.600 -1.432 0.000 1.426 301 M HN -0.000 nan 8.290 nan 0.000 0.488 302 K N 0.053 120.271 120.400 -0.303 0.000 3.311 302 K HA -0.208 4.112 4.320 0.000 0.000 0.270 302 K C 0.418 177.021 176.600 0.004 0.000 0.927 302 K CA 0.052 56.274 56.287 -0.107 0.000 0.706 302 K CB -1.957 30.508 32.500 -0.059 0.000 1.418 302 K HN 0.312 nan 8.250 nan 0.000 0.459 303 F N -0.327 119.647 119.950 0.040 0.000 2.451 303 F HA -0.161 4.366 4.527 0.000 0.000 0.299 303 F C 1.932 177.752 175.800 0.034 0.000 1.101 303 F CA 0.903 58.927 58.000 0.041 0.000 1.436 303 F CB 0.052 39.088 39.000 0.060 0.000 1.074 303 F HN 0.329 nan 8.300 nan 0.000 0.553 304 L N -4.183 117.170 121.223 0.217 0.000 2.609 304 L HA 0.363 4.703 4.340 0.000 0.000 0.230 304 L C 0.948 177.880 176.870 0.103 0.000 1.064 304 L CA -0.045 54.871 54.840 0.127 0.000 0.873 304 L CB -0.514 41.598 42.059 0.089 0.000 1.139 304 L HN -0.317 nan 8.230 nan 0.000 0.490 305 S N 0.959 116.720 115.700 0.102 0.000 2.596 305 S HA 0.369 4.839 4.470 0.000 0.000 0.260 305 S C -0.311 174.345 174.600 0.093 0.000 1.336 305 S CA -0.294 57.957 58.200 0.085 0.000 0.993 305 S CB 0.995 64.231 63.200 0.061 0.000 0.923 305 S HN 0.233 nan 8.310 nan 0.000 0.567 306 L N 2.730 124.006 121.223 0.089 0.000 2.297 306 L HA 0.310 4.650 4.340 0.000 0.000 0.277 306 L C -0.465 176.426 176.870 0.034 0.000 1.040 306 L CA -0.358 54.529 54.840 0.078 0.000 0.867 306 L CB 0.492 42.617 42.059 0.109 0.000 1.244 306 L HN 0.471 nan 8.230 nan 0.000 0.433 307 D N 3.431 123.847 120.400 0.025 0.000 2.451 307 D HA -0.041 4.599 4.640 0.000 0.000 0.254 307 D C 1.153 177.444 176.300 -0.014 0.000 1.204 307 D CA 0.471 54.474 54.000 0.004 0.000 0.896 307 D CB 0.792 41.592 40.800 0.001 0.000 1.136 307 D HN 0.497 nan 8.370 nan 0.000 0.499 308 L N 2.687 123.902 121.223 -0.014 0.000 1.973 308 L HA -0.132 4.208 4.340 0.000 0.000 0.208 308 L C 1.738 178.598 176.870 -0.017 0.000 1.073 308 L CA 0.737 55.565 54.840 -0.019 0.000 0.746 308 L CB -0.570 41.480 42.059 -0.014 0.000 0.891 308 L HN 0.419 nan 8.230 nan 0.000 0.433 309 Q N 0.373 120.166 119.800 -0.011 0.000 2.697 309 Q HA 0.239 4.579 4.340 0.000 0.000 0.196 309 Q C 0.509 176.499 176.000 -0.016 0.000 1.121 309 Q CA 0.788 56.587 55.803 -0.007 0.000 1.151 309 Q CB -0.282 28.454 28.738 -0.005 0.000 1.250 309 Q HN 0.378 nan 8.270 nan 0.000 0.658 310 G N 0.924 109.717 108.800 -0.011 0.000 2.856 310 G HA2 -0.230 3.730 3.960 0.000 0.000 0.674 310 G HA3 -0.230 3.730 3.960 0.000 0.000 0.674 310 G C -0.609 174.271 174.900 -0.033 0.000 1.519 310 G CA -0.061 45.027 45.100 -0.020 0.000 0.940 310 G HN 0.694 nan 8.290 nan 0.000 0.564 311 D N 1.347 121.722 120.400 -0.041 0.000 2.390 311 D HA 0.246 4.886 4.640 0.000 0.000 0.249 311 D C -0.619 175.572 176.300 -0.181 0.000 1.144 311 D CA -1.306 52.654 54.000 -0.066 0.000 0.880 311 D CB 1.144 41.915 40.800 -0.049 0.000 1.182 311 D HN 0.025 nan 8.370 nan 0.000 0.451 312 P HA -0.110 nan 4.420 nan 0.000 0.216 312 P C 0.977 177.979 177.300 -0.496 0.000 1.150 312 P CA 1.207 63.999 63.100 -0.514 0.000 0.843 312 P CB 0.206 31.246 31.700 -1.101 0.000 0.787 313 R N -0.588 119.531 120.500 -0.635 0.000 2.285 313 R HA -0.056 4.284 4.340 0.000 0.000 0.213 313 R C 1.859 178.013 176.300 -0.243 0.000 1.068 313 R CA 0.871 56.588 56.100 -0.639 0.000 1.004 313 R CB -0.277 29.646 30.300 -0.630 0.000 0.873 313 R HN 0.401 nan 8.270 nan 0.000 0.467 314 E N -0.041 120.057 120.200 -0.170 0.000 2.201 314 E HA 0.079 4.429 4.350 0.000 0.000 0.193 314 E C -0.036 176.540 176.600 -0.041 0.000 0.957 314 E CA -0.090 56.262 56.400 -0.080 0.000 0.858 314 E CB 0.372 30.034 29.700 -0.063 0.000 0.816 314 E HN 0.038 nan 8.360 nan 0.000 0.475 315 S N 2.796 118.464 115.700 -0.053 0.000 2.931 315 S HA -0.109 4.361 4.470 0.000 0.000 0.342 315 S C -0.236 174.384 174.600 0.034 0.000 1.220 315 S CA 0.345 58.539 58.200 -0.010 0.000 1.045 315 S CB -0.037 63.149 63.200 -0.025 0.000 0.758 315 S HN 0.152 nan 8.310 nan 0.000 0.508 316 Q N 4.422 124.271 119.800 0.080 0.000 2.421 316 Q HA 0.280 4.620 4.340 0.000 0.000 0.242 316 Q C -1.540 174.577 176.000 0.194 0.000 1.024 316 Q CA -1.729 54.158 55.803 0.139 0.000 0.891 316 Q CB 0.313 29.185 28.738 0.222 0.000 1.222 316 Q HN 0.325 nan 8.270 nan 0.000 0.483 317 P HA -0.088 nan 4.420 nan 0.000 0.217 317 P C -0.327 176.956 177.300 -0.029 0.000 1.154 317 P CA 0.969 64.108 63.100 0.064 0.000 0.841 317 P CB 0.403 32.106 31.700 0.006 0.000 0.788 318 L N -5.132 115.981 121.223 -0.184 0.000 3.133 318 L HA 0.326 4.666 4.340 0.000 0.000 0.289 318 L C -0.299 176.329 176.870 -0.403 0.000 1.012 318 L CA -0.852 53.696 54.840 -0.486 0.000 1.001 318 L CB -0.153 41.708 42.059 -0.330 0.000 1.580 318 L HN -0.347 nan 8.230 nan 0.000 0.373 319 L N 0.972 121.946 121.223 -0.417 0.000 3.073 319 L HA 0.584 4.924 4.340 0.000 0.000 0.242 319 L C 1.162 177.902 176.870 -0.216 0.000 1.317 319 L CA -0.201 54.515 54.840 -0.207 0.000 1.081 319 L CB -0.427 41.598 42.059 -0.057 0.000 1.456 319 L HN 0.899 nan 8.230 nan 0.000 0.525 320 G N 0.561 109.181 108.800 -0.300 0.000 2.777 320 G HA2 -0.004 3.956 3.960 0.000 0.000 0.286 320 G HA3 -0.004 3.956 3.960 0.000 0.000 0.286 320 G C 0.319 175.024 174.900 -0.326 0.000 1.283 320 G CA -0.276 44.577 45.100 -0.413 0.000 1.060 320 G HN 0.287 nan 8.290 nan 0.000 0.641 321 T N -0.716 113.667 114.554 -0.284 0.000 2.856 321 T HA 0.344 4.694 4.350 0.000 0.000 0.329 321 T C 0.728 175.415 174.700 -0.021 0.000 1.094 321 T CA 0.594 62.695 62.100 0.001 0.000 1.112 321 T CB 0.841 69.762 68.868 0.088 0.000 1.009 321 T HN 1.215 nan 8.240 nan 0.000 0.550 322 V N -1.393 118.524 119.914 0.005 0.000 3.105 322 V HA 0.608 4.728 4.120 0.000 0.000 0.311 322 V C -0.811 175.242 176.094 -0.068 0.000 1.287 322 V CA -1.216 61.054 62.300 -0.051 0.000 1.066 322 V CB 1.889 33.670 31.823 -0.070 0.000 1.105 322 V HN 0.647 nan 8.190 nan 0.000 0.462 323 I N 2.834 123.357 120.570 -0.078 0.000 2.448 323 I HA 0.273 4.443 4.170 0.000 0.000 0.284 323 I C 1.003 177.069 176.117 -0.086 0.000 1.135 323 I CA -0.037 61.214 61.300 -0.081 0.000 1.207 323 I CB -0.374 37.582 38.000 -0.073 0.000 1.548 323 I HN 0.943 nan 8.210 nan 0.000 0.543 324 D N 2.681 123.019 120.400 -0.103 0.000 2.263 324 D HA -0.159 4.481 4.640 0.000 0.000 0.208 324 D C 1.502 177.750 176.300 -0.087 0.000 0.971 324 D CA 1.304 55.233 54.000 -0.118 0.000 0.867 324 D CB 0.176 40.867 40.800 -0.181 0.000 0.929 324 D HN 0.631 nan 8.370 nan 0.000 0.492 325 G N -0.555 108.199 108.800 -0.077 0.000 2.175 325 G HA2 -0.274 3.686 3.960 0.000 0.000 0.244 325 G HA3 -0.274 3.686 3.960 0.000 0.000 0.244 325 G C 0.870 175.740 174.900 -0.051 0.000 0.982 325 G CA 0.626 45.690 45.100 -0.060 0.000 0.641 325 G HN 0.300 nan 8.290 nan 0.000 0.527 326 M N -1.118 118.447 119.600 -0.058 0.000 3.160 326 M HA 0.418 4.898 4.480 0.000 0.000 0.222 326 M C 2.317 178.593 176.300 -0.042 0.000 1.703 326 M CA 0.939 56.216 55.300 -0.039 0.000 1.354 326 M CB -1.035 31.546 32.600 -0.032 0.000 1.115 326 M HN 0.218 nan 8.290 nan 0.000 0.594 327 L N 0.552 121.741 121.223 -0.056 0.000 2.179 327 L HA 0.155 4.495 4.340 0.000 0.000 0.208 327 L C 0.037 176.853 176.870 -0.090 0.000 1.096 327 L CA 0.868 55.672 54.840 -0.059 0.000 0.779 327 L CB 0.422 42.445 42.059 -0.059 0.000 0.922 327 L HN 0.122 nan 8.230 nan 0.000 0.443 328 L N 0.215 121.379 121.223 -0.099 0.000 2.404 328 L HA 0.231 4.571 4.340 0.000 0.000 0.272 328 L C 0.298 177.109 176.870 -0.099 0.000 0.980 328 L CA -0.456 54.316 54.840 -0.115 0.000 0.836 328 L CB 2.076 44.062 42.059 -0.123 0.000 1.238 328 L HN 0.062 nan 8.230 nan 0.000 0.408 329 L N 2.993 124.153 121.223 -0.105 0.000 2.552 329 L HA 0.067 4.407 4.340 0.000 0.000 0.227 329 L C 0.488 177.309 176.870 -0.081 0.000 1.146 329 L CA 0.727 55.515 54.840 -0.087 0.000 0.858 329 L CB -0.459 41.546 42.059 -0.090 0.000 0.969 329 L HN 0.638 nan 8.230 nan 0.000 0.451 330 K N -2.250 118.096 120.400 -0.091 0.000 2.809 330 K HA 0.214 4.534 4.320 0.000 0.000 0.293 330 K C -0.465 176.085 176.600 -0.083 0.000 1.061 330 K CA -0.742 55.498 56.287 -0.078 0.000 0.837 330 K CB 0.247 32.706 32.500 -0.069 0.000 1.524 330 K HN -0.145 nan 8.250 nan 0.000 0.370 331 T N -1.536 112.975 114.554 -0.070 0.000 2.939 331 T HA 0.079 4.429 4.350 0.000 0.000 0.319 331 T C -1.796 172.860 174.700 -0.073 0.000 1.082 331 T CA -0.521 61.537 62.100 -0.070 0.000 1.133 331 T CB 0.236 69.071 68.868 -0.056 0.000 1.019 331 T HN 0.353 nan 8.240 nan 0.000 0.548 332 P HA -0.138 nan 4.420 nan 0.000 0.216 332 P C 1.385 178.656 177.300 -0.050 0.000 1.157 332 P CA 1.282 64.339 63.100 -0.071 0.000 0.880 332 P CB 0.049 31.707 31.700 -0.071 0.000 0.791 333 E N 0.111 120.287 120.200 -0.040 0.000 2.021 333 E HA -0.225 4.125 4.350 0.000 0.000 0.200 333 E C 1.943 178.529 176.600 -0.025 0.000 1.015 333 E CA 1.529 57.915 56.400 -0.024 0.000 0.824 333 E CB -1.177 28.512 29.700 -0.018 0.000 0.762 333 E HN 0.418 nan 8.360 nan 0.000 0.454 334 E N 0.473 120.654 120.200 -0.033 0.000 2.147 334 E HA -0.225 4.125 4.350 0.000 0.000 0.199 334 E C 2.209 178.784 176.600 -0.041 0.000 1.005 334 E CA 1.017 57.397 56.400 -0.033 0.000 0.810 334 E CB -0.305 29.371 29.700 -0.040 0.000 0.736 334 E HN 0.216 nan 8.360 nan 0.000 0.460 335 L N 1.002 122.190 121.223 -0.059 0.000 2.017 335 L HA -0.230 4.110 4.340 0.000 0.000 0.208 335 L C 2.702 179.545 176.870 -0.044 0.000 1.073 335 L CA 1.515 56.306 54.840 -0.082 0.000 0.745 335 L CB -0.516 41.470 42.059 -0.122 0.000 0.894 335 L HN 0.262 nan 8.230 nan 0.000 0.432 336 Q N -0.488 119.304 119.800 -0.013 0.000 2.515 336 Q HA -0.035 4.306 4.340 0.000 0.000 0.212 336 Q C 1.870 177.885 176.000 0.026 0.000 0.970 336 Q CA 0.901 56.720 55.803 0.027 0.000 0.941 336 Q CB -0.172 28.590 28.738 0.040 0.000 0.998 336 Q HN 0.419 nan 8.270 nan 0.000 0.518 337 A N 1.585 124.410 122.820 0.008 0.000 2.067 337 A HA -0.083 4.237 4.320 0.000 0.000 0.217 337 A C 1.114 178.707 177.584 0.014 0.000 1.156 337 A CA 0.383 52.427 52.037 0.010 0.000 0.683 337 A CB -0.051 18.950 19.000 0.001 0.000 0.808 337 A HN 0.413 nan 8.150 nan 0.000 0.455 338 E N 0.857 121.066 120.200 0.014 0.000 2.301 338 E HA 0.245 4.595 4.350 0.000 0.000 0.275 338 E C -0.741 175.889 176.600 0.051 0.000 1.030 338 E CA -0.432 55.983 56.400 0.025 0.000 0.852 338 E CB 0.517 30.225 29.700 0.015 0.000 1.060 338 E HN 0.349 nan 8.360 nan 0.000 0.401 339 R N 3.998 124.526 120.500 0.047 0.000 2.989 339 R HA 0.266 4.606 4.340 0.000 0.000 0.340 339 R C -0.607 175.723 176.300 0.051 0.000 1.205 339 R CA -0.064 56.065 56.100 0.048 0.000 1.235 339 R CB 0.052 30.366 30.300 0.023 0.000 1.394 339 R HN 0.436 nan 8.270 nan 0.000 0.598 340 N N -0.327 118.426 118.700 0.089 0.000 2.217 340 N HA 0.068 4.808 4.740 0.000 0.000 0.239 340 N C -1.010 174.593 175.510 0.154 0.000 1.330 340 N CA -0.236 52.864 53.050 0.084 0.000 0.838 340 N CB 0.517 39.045 38.487 0.068 0.000 1.287 340 N HN 0.085 nan 8.380 nan 0.000 0.498 341 F N 1.305 121.261 119.950 0.010 0.000 2.457 341 F HA 0.408 4.935 4.527 0.000 0.000 0.330 341 F C 0.702 176.529 175.800 0.045 0.000 1.069 341 F CA -1.029 56.992 58.000 0.035 0.000 1.009 341 F CB 0.773 39.798 39.000 0.042 0.000 1.276 341 F HN 0.034 nan 8.300 nan 0.000 0.492 342 H N 1.534 119.984 119.070 -1.034 0.000 2.815 342 H HA 0.258 4.814 4.556 0.000 0.000 0.350 342 H C -0.654 174.426 175.328 -0.414 0.000 1.080 342 H CA 0.988 56.602 56.048 -0.722 0.000 1.433 342 H CB 0.702 29.947 29.762 -0.863 0.000 1.432 342 H HN 0.753 nan 8.280 nan 0.000 0.592 343 T N 1.574 115.947 114.554 -0.302 0.000 2.906 343 T HA 0.619 4.969 4.350 0.000 0.000 0.295 343 T C -0.343 174.367 174.700 0.016 0.000 1.075 343 T CA -0.559 61.540 62.100 -0.001 0.000 1.005 343 T CB 1.525 70.364 68.868 -0.048 0.000 1.136 343 T HN 0.516 nan 8.240 nan 0.000 0.498 344 V N -3.026 117.017 119.914 0.215 0.000 3.120 344 V HA 0.716 4.836 4.120 0.000 0.000 0.303 344 V C -3.343 172.950 176.094 0.332 0.000 1.238 344 V CA -3.007 59.400 62.300 0.178 0.000 1.008 344 V CB 1.379 33.274 31.823 0.120 0.000 1.064 344 V HN 0.725 nan 8.190 nan 0.000 0.434 345 P HA 0.050 nan 4.420 nan 0.000 0.255 345 P C -1.295 176.360 177.300 0.592 0.000 1.173 345 P CA 0.899 64.222 63.100 0.372 0.000 0.780 345 P CB -0.408 31.339 31.700 0.079 0.000 0.758 346 Y N 4.633 125.146 120.300 0.355 0.000 2.334 346 Y HA 0.450 5.000 4.550 0.000 0.000 0.336 346 Y C -0.139 175.763 175.900 0.004 0.000 0.960 346 Y CA -1.529 56.599 58.100 0.046 0.000 1.164 346 Y CB 0.986 39.030 38.460 -0.693 0.000 1.155 346 Y HN 0.208 nan 8.280 nan 0.000 0.478 347 M N 7.802 127.418 119.600 0.026 0.000 2.157 347 M HA 0.538 5.018 4.480 0.000 0.000 0.354 347 M C -2.079 173.976 176.300 -0.409 0.000 1.170 347 M CA -0.541 54.498 55.300 -0.435 0.000 1.060 347 M CB 0.711 32.663 32.600 -1.080 0.000 1.615 347 M HN 0.429 nan 8.290 nan 0.000 0.460 348 V N 4.514 124.155 119.914 -0.455 0.000 2.577 348 V HA 0.893 5.013 4.120 0.000 0.000 0.303 348 V C 0.119 175.937 176.094 -0.461 0.000 1.042 348 V CA -0.619 61.403 62.300 -0.463 0.000 0.872 348 V CB 1.608 33.059 31.823 -0.620 0.000 0.998 348 V HN 1.013 nan 8.190 nan 0.000 0.423 349 G N 3.672 112.110 108.800 -0.602 0.000 2.672 349 G HA2 0.880 4.840 3.960 0.000 0.000 0.292 349 G HA3 0.880 4.840 3.960 0.000 0.000 0.292 349 G C -1.271 173.227 174.900 -0.671 0.000 1.375 349 G CA -0.647 43.715 45.100 -1.231 0.000 0.890 349 G HN 0.951 nan 8.290 nan 0.000 0.476 350 I N -2.368 117.930 120.570 -0.453 0.000 3.239 350 I HA 0.654 4.824 4.170 0.000 0.000 0.314 350 I C -1.058 175.125 176.117 0.111 0.000 1.126 350 I CA -1.457 59.788 61.300 -0.092 0.000 0.973 350 I CB 2.564 40.527 38.000 -0.062 0.000 1.252 350 I HN 0.433 nan 8.210 nan 0.000 0.463 351 N N 1.649 120.414 118.700 0.108 0.000 2.362 351 N HA 0.243 4.983 4.740 0.000 0.000 0.298 351 N C -0.046 175.558 175.510 0.158 0.000 1.048 351 N CA -0.822 52.354 53.050 0.210 0.000 0.858 351 N CB 2.360 40.934 38.487 0.144 0.000 1.218 351 N HN 0.559 nan 8.380 nan 0.000 0.488 352 K N 1.395 121.916 120.400 0.202 0.000 2.023 352 K HA -0.274 4.046 4.320 0.000 0.000 0.227 352 K C -0.018 176.658 176.600 0.127 0.000 1.054 352 K CA 1.965 58.342 56.287 0.150 0.000 0.977 352 K CB 0.005 32.598 32.500 0.155 0.000 0.733 352 K HN 0.584 nan 8.250 nan 0.000 0.451 353 Q N 0.271 120.155 119.800 0.138 0.000 2.626 353 Q HA 0.109 4.449 4.340 0.000 0.000 0.239 353 Q C 0.071 176.139 176.000 0.113 0.000 1.101 353 Q CA -0.436 55.447 55.803 0.133 0.000 0.918 353 Q CB 1.567 30.393 28.738 0.147 0.000 1.151 353 Q HN 0.216 nan 8.270 nan 0.000 0.531 354 E N 0.724 120.958 120.200 0.057 0.000 2.051 354 E HA -0.155 4.195 4.350 0.000 0.000 0.192 354 E C 0.527 177.103 176.600 -0.040 0.000 0.991 354 E CA 1.177 57.541 56.400 -0.061 0.000 0.799 354 E CB 0.114 29.597 29.700 -0.361 0.000 0.748 354 E HN 0.486 nan 8.360 nan 0.000 0.449 355 F N 1.178 121.082 119.950 -0.077 0.000 2.701 355 F HA 0.220 4.747 4.527 0.000 0.000 0.295 355 F C 1.647 177.440 175.800 -0.011 0.000 1.165 355 F CA -0.167 57.782 58.000 -0.085 0.000 1.399 355 F CB 0.087 39.022 39.000 -0.109 0.000 0.996 355 F HN -0.067 nan 8.300 nan 0.000 0.513 356 G N 0.480 109.357 108.800 0.128 0.000 2.604 356 G HA2 -0.320 3.640 3.960 0.000 0.000 0.216 356 G HA3 -0.320 3.640 3.960 0.000 0.000 0.216 356 G C 1.157 176.182 174.900 0.208 0.000 1.265 356 G CA 1.409 46.620 45.100 0.185 0.000 0.804 356 G HN 0.593 nan 8.290 nan 0.000 0.579 357 W N -0.651 120.638 121.300 -0.017 0.000 4.168 357 W HA 0.390 5.050 4.660 0.000 0.000 0.211 357 W C 1.919 178.392 176.519 -0.077 0.000 1.002 357 W CA 0.272 57.604 57.345 -0.023 0.000 1.903 357 W CB -0.573 28.904 29.460 0.029 0.000 0.828 357 W HN 0.153 nan 8.180 nan 0.000 0.876 358 L N 2.135 123.187 121.223 -0.285 0.000 1.981 358 L HA -0.296 4.044 4.340 0.000 0.000 0.237 358 L C 2.292 178.798 176.870 -0.607 0.000 1.095 358 L CA 3.235 57.753 54.840 -0.536 0.000 0.820 358 L CB -1.451 40.593 42.059 -0.025 0.000 0.914 358 L HN 0.232 nan 8.230 nan 0.000 0.442 359 I N -0.537 119.733 120.570 -0.500 0.000 2.093 359 I HA -0.381 3.789 4.170 0.000 0.000 0.239 359 I C -0.201 175.545 176.117 -0.620 0.000 1.026 359 I CA 2.420 63.370 61.300 -0.583 0.000 1.295 359 I CB -2.013 35.483 38.000 -0.841 0.000 1.007 359 I HN 0.375 nan 8.210 nan 0.000 0.401 360 P HA -0.198 nan 4.420 nan 0.000 0.214 360 P C 1.168 178.307 177.300 -0.268 0.000 1.163 360 P CA 1.245 64.050 63.100 -0.491 0.000 0.889 360 P CB -0.136 31.322 31.700 -0.404 0.000 0.790 364 M N 1.149 120.717 119.600 -0.055 0.000 2.706 364 M HA -0.036 4.444 4.480 0.000 0.000 0.253 364 M C 0.167 176.527 176.300 0.101 0.000 1.063 364 M CA 0.726 56.056 55.300 0.050 0.000 1.067 364 M CB -0.451 32.218 32.600 0.114 0.000 1.423 364 M HN 0.382 nan 8.290 nan 0.000 0.530 365 S N 0.145 115.882 115.700 0.063 0.000 3.527 365 S HA -0.181 4.289 4.470 0.000 0.000 0.409 365 S C -0.373 174.328 174.600 0.168 0.000 0.900 365 S CA 0.110 58.361 58.200 0.086 0.000 1.320 365 S CB -1.640 61.593 63.200 0.057 0.000 0.915 365 S HN 0.446 nan 8.310 nan 0.000 0.575 366 Y N 1.694 122.025 120.300 0.051 0.000 2.411 366 Y HA 0.231 4.781 4.550 0.000 0.000 0.333 366 Y C -0.687 175.275 175.900 0.103 0.000 1.186 366 Y CA -1.271 56.899 58.100 0.116 0.000 1.381 366 Y CB 0.257 38.837 38.460 0.200 0.000 1.273 366 Y HN 0.171 nan 8.280 nan 0.000 0.546 367 P HA -0.218 nan 4.420 nan 0.000 0.217 367 P C -0.271 177.039 177.300 0.017 0.000 1.151 367 P CA 1.308 64.356 63.100 -0.087 0.000 0.849 367 P CB -0.008 31.561 31.700 -0.219 0.000 0.787 368 L N -0.272 121.014 121.223 0.106 0.000 2.771 368 L HA -0.100 4.240 4.340 0.000 0.000 0.278 368 L C 0.766 177.705 176.870 0.116 0.000 1.175 368 L CA 0.783 55.703 54.840 0.135 0.000 0.973 368 L CB -0.336 41.877 42.059 0.257 0.000 1.286 368 L HN 0.010 nan 8.230 nan 0.000 0.481 369 S N 0.640 116.384 115.700 0.073 0.000 2.911 369 S HA 0.100 4.570 4.470 0.000 0.000 0.261 369 S C 0.822 175.455 174.600 0.055 0.000 1.021 369 S CA -0.488 57.753 58.200 0.068 0.000 1.222 369 S CB 0.523 63.753 63.200 0.051 0.000 1.171 369 S HN 0.620 nan 8.310 nan 0.000 0.669 370 E N 0.746 120.975 120.200 0.049 0.000 2.490 370 E HA 0.276 4.626 4.350 0.000 0.000 0.209 370 E C 1.275 177.904 176.600 0.048 0.000 0.971 370 E CA 0.672 57.095 56.400 0.039 0.000 0.988 370 E CB 0.600 30.314 29.700 0.022 0.000 1.029 370 E HN 0.476 nan 8.360 nan 0.000 0.496 371 G N 2.373 111.212 108.800 0.065 0.000 2.143 371 G HA2 -0.281 3.679 3.960 0.000 0.000 0.249 371 G HA3 -0.281 3.679 3.960 0.000 0.000 0.249 371 G C 0.110 175.049 174.900 0.066 0.000 0.981 371 G CA 0.804 45.949 45.100 0.075 0.000 0.665 371 G HN 0.342 nan 8.290 nan 0.000 0.528 372 Q N -2.227 117.603 119.800 0.049 0.000 2.721 372 Q HA 0.736 5.076 4.340 0.000 0.000 0.282 372 Q C -1.961 174.038 176.000 -0.002 0.000 0.932 372 Q CA -1.273 54.550 55.803 0.034 0.000 0.816 372 Q CB 1.407 30.165 28.738 0.033 0.000 1.506 372 Q HN 0.761 nan 8.270 nan 0.000 0.399 373 L N 1.811 123.020 121.223 -0.022 0.000 2.445 373 L HA 0.501 4.841 4.340 0.000 0.000 0.262 373 L C -1.739 175.108 176.870 -0.039 0.000 0.974 373 L CA -0.147 54.651 54.840 -0.070 0.000 0.822 373 L CB 2.135 44.076 42.059 -0.197 0.000 1.339 373 L HN 0.825 nan 8.230 nan 0.000 0.409 374 D N 3.062 123.442 120.400 -0.033 0.000 2.264 374 D HA 0.097 4.737 4.640 0.000 0.000 0.249 374 D C 0.423 176.723 176.300 0.001 0.000 1.070 374 D CA -0.354 53.643 54.000 -0.006 0.000 0.912 374 D CB 1.192 41.991 40.800 -0.002 0.000 1.193 374 D HN 0.531 nan 8.370 nan 0.000 0.427 375 Q N 0.481 120.296 119.800 0.024 0.000 2.290 375 Q HA -0.202 4.138 4.340 0.000 0.000 0.211 375 Q C 1.237 177.260 176.000 0.038 0.000 0.991 375 Q CA 1.369 57.198 55.803 0.043 0.000 0.893 375 Q CB 0.147 28.912 28.738 0.045 0.000 0.913 375 Q HN 0.467 nan 8.270 nan 0.000 0.428 376 K N -0.723 119.689 120.400 0.021 0.000 1.979 376 K HA -0.030 4.290 4.320 0.000 0.000 0.213 376 K C 2.152 178.762 176.600 0.017 0.000 1.036 376 K CA 1.452 57.750 56.287 0.019 0.000 0.954 376 K CB -0.941 31.566 32.500 0.010 0.000 0.743 376 K HN 0.123 nan 8.250 nan 0.000 0.443 377 T N 2.264 116.817 114.554 -0.003 0.000 2.721 377 T HA -0.226 4.124 4.350 0.000 0.000 0.268 377 T C 1.912 176.602 174.700 -0.015 0.000 1.038 377 T CA 1.651 63.743 62.100 -0.014 0.000 1.145 377 T CB -0.391 68.451 68.868 -0.043 0.000 0.858 377 T HN 0.403 nan 8.240 nan 0.000 0.459 378 A N 2.210 125.011 122.820 -0.031 0.000 1.884 378 A HA -0.191 4.129 4.320 0.000 0.000 0.219 378 A C 2.348 180.018 177.584 0.143 0.000 1.197 378 A CA 1.929 53.964 52.037 -0.003 0.000 0.637 378 A CB -0.737 18.299 19.000 0.059 0.000 0.827 378 A HN 0.384 nan 8.150 nan 0.000 0.450 379 M N -0.310 119.363 119.600 0.122 0.000 2.143 379 M HA -0.176 4.304 4.480 0.000 0.000 0.258 379 M C 2.482 178.888 176.300 0.176 0.000 1.071 379 M CA 2.010 57.392 55.300 0.138 0.000 1.088 379 M CB -1.311 31.334 32.600 0.075 0.000 1.360 379 M HN 0.634 nan 8.290 nan 0.000 0.404 380 S N 0.474 116.260 115.700 0.144 0.000 2.345 380 S HA -0.047 4.423 4.470 0.000 0.000 0.219 380 S C 1.956 176.694 174.600 0.230 0.000 1.031 380 S CA 0.719 59.028 58.200 0.181 0.000 0.984 380 S CB -0.108 63.152 63.200 0.100 0.000 0.874 380 S HN 0.416 nan 8.310 nan 0.000 0.451 381 L N 0.846 122.167 121.223 0.163 0.000 1.970 381 L HA -0.093 4.247 4.340 0.000 0.000 0.212 381 L C 2.555 179.605 176.870 0.301 0.000 1.071 381 L CA 1.333 56.280 54.840 0.178 0.000 0.751 381 L CB -0.624 41.518 42.059 0.139 0.000 0.889 381 L HN 0.369 nan 8.230 nan 0.000 0.432 382 L N -0.530 120.937 121.223 0.406 0.000 2.197 382 L HA -0.294 4.046 4.340 0.000 0.000 0.215 382 L C 2.064 179.130 176.870 0.326 0.000 1.095 382 L CA 1.801 56.840 54.840 0.333 0.000 0.764 382 L CB -0.689 41.566 42.059 0.325 0.000 0.897 382 L HN 0.389 nan 8.230 nan 0.000 0.436 383 W N 0.536 121.922 121.300 0.144 0.000 2.413 383 W HA -0.190 4.470 4.660 0.000 0.000 0.315 383 W C 1.895 178.497 176.519 0.137 0.000 1.186 383 W CA 0.907 58.332 57.345 0.133 0.000 1.326 383 W CB -0.049 29.465 29.460 0.090 0.000 1.153 383 W HN 0.003 nan 8.180 nan 0.000 0.489 384 K N 0.879 121.264 120.400 -0.025 0.000 2.633 384 K HA -0.053 4.267 4.320 0.000 0.000 0.193 384 K C 1.279 177.835 176.600 -0.074 0.000 1.033 384 K CA 0.699 56.882 56.287 -0.173 0.000 0.980 384 K CB -0.058 32.411 32.500 -0.052 0.000 0.800 384 K HN -0.042 nan 8.250 nan 0.000 0.493 385 S N -0.269 115.434 115.700 0.006 0.000 2.568 385 S HA 0.041 4.511 4.470 0.000 0.000 0.232 385 S C 0.877 175.481 174.600 0.006 0.000 0.975 385 S CA -0.511 57.722 58.200 0.055 0.000 0.949 385 S CB -0.073 63.190 63.200 0.105 0.000 0.829 385 S HN 0.345 nan 8.310 nan 0.000 0.479 386 Y N 3.895 124.070 120.300 -0.208 0.000 2.139 386 Y HA -0.142 4.408 4.550 0.000 0.000 0.282 386 Y C -0.818 174.993 175.900 -0.149 0.000 1.179 386 Y CA 1.915 59.882 58.100 -0.222 0.000 1.161 386 Y CB -0.743 37.472 38.460 -0.408 0.000 0.970 386 Y HN 0.261 nan 8.280 nan 0.000 0.511 387 P HA -0.106 nan 4.420 nan 0.000 0.239 387 P C 0.675 177.960 177.300 -0.025 0.000 1.184 387 P CA 1.442 64.564 63.100 0.036 0.000 0.760 387 P CB 0.017 31.740 31.700 0.039 0.000 0.884 388 L N -1.349 119.841 121.223 -0.056 0.000 2.694 388 L HA 0.079 4.419 4.340 0.000 0.000 0.228 388 L C 2.266 179.042 176.870 -0.157 0.000 1.048 388 L CA 0.339 55.132 54.840 -0.079 0.000 0.887 388 L CB 0.110 42.160 42.059 -0.014 0.000 1.265 388 L HN -0.212 nan 8.230 nan 0.000 0.492 389 V N -5.476 114.329 119.914 -0.182 0.000 3.455 389 V HA 0.145 4.265 4.120 0.000 0.000 0.250 389 V C 0.963 176.895 176.094 -0.270 0.000 1.230 389 V CA -0.241 61.940 62.300 -0.199 0.000 1.105 389 V CB 0.176 31.898 31.823 -0.170 0.000 0.850 389 V HN 0.455 nan 8.190 nan 0.000 0.461 390 C N 1.436 120.418 119.300 -0.530 0.000 4.484 390 C HA -0.127 4.333 4.460 0.000 0.000 0.308 390 C C 0.267 174.751 174.990 -0.843 0.000 1.291 390 C CA -0.336 58.024 59.018 -1.096 0.000 2.078 390 C CB -3.247 24.067 27.740 -0.710 0.000 1.257 390 C HN 0.636 nan 8.230 nan 0.000 0.736 391 I N 1.109 121.400 120.570 -0.465 0.000 2.339 391 I HA 0.533 4.703 4.170 0.000 0.000 0.290 391 I C 0.944 177.256 176.117 0.325 0.000 0.994 391 I CA -0.003 61.266 61.300 -0.052 0.000 1.191 391 I CB 1.378 39.468 38.000 0.151 0.000 1.343 391 I HN 0.558 nan 8.210 nan 0.000 0.458 392 A N 5.829 128.819 122.820 0.283 0.000 2.462 392 A HA 0.092 4.412 4.320 0.000 0.000 0.243 392 A C 1.311 179.064 177.584 0.283 0.000 1.076 392 A CA -0.183 52.109 52.037 0.425 0.000 0.773 392 A CB 0.254 19.368 19.000 0.190 0.000 1.010 392 A HN 0.904 nan 8.150 nan 0.000 0.493 393 K N 0.782 121.191 120.400 0.014 0.000 2.360 393 K HA -0.170 4.150 4.320 0.000 0.000 0.201 393 K C 1.420 177.907 176.600 -0.189 0.000 1.046 393 K CA 1.848 57.869 56.287 -0.443 0.000 0.940 393 K CB 0.004 31.760 32.500 -1.240 0.000 0.748 393 K HN 0.899 nan 8.250 nan 0.000 0.465 394 E N -0.079 120.072 120.200 -0.081 0.000 2.502 394 E HA -0.092 4.258 4.350 0.000 0.000 0.194 394 E C 1.221 177.818 176.600 -0.006 0.000 1.062 394 E CA 0.346 56.716 56.400 -0.049 0.000 0.867 394 E CB 0.134 29.813 29.700 -0.035 0.000 0.888 394 E HN 0.344 nan 8.360 nan 0.000 0.510 395 L N 0.132 121.374 121.223 0.032 0.000 2.672 395 L HA 0.138 4.478 4.340 0.000 0.000 0.236 395 L C 2.051 178.979 176.870 0.096 0.000 1.092 395 L CA -0.330 54.545 54.840 0.058 0.000 0.887 395 L CB -0.030 42.075 42.059 0.076 0.000 1.168 395 L HN 0.056 nan 8.230 nan 0.000 0.502 396 I N 1.270 121.904 120.570 0.107 0.000 2.145 396 I HA -0.198 3.972 4.170 0.000 0.000 0.244 396 I C -0.021 176.164 176.117 0.114 0.000 1.075 396 I CA 2.106 63.490 61.300 0.139 0.000 1.332 396 I CB -2.199 35.875 38.000 0.123 0.000 1.033 396 I HN 0.155 nan 8.210 nan 0.000 0.410 397 P HA -0.171 nan 4.420 nan 0.000 0.211 397 P C 1.767 179.120 177.300 0.087 0.000 1.179 397 P CA 1.428 64.567 63.100 0.065 0.000 0.910 397 P CB -0.057 31.663 31.700 0.032 0.000 0.785 398 E N -0.814 119.435 120.200 0.081 0.000 2.097 398 E HA -0.232 4.118 4.350 0.000 0.000 0.196 398 E C 1.927 178.640 176.600 0.188 0.000 1.000 398 E CA 1.288 57.753 56.400 0.108 0.000 0.804 398 E CB -0.444 29.295 29.700 0.066 0.000 0.740 398 E HN 0.073 nan 8.360 nan 0.000 0.454 399 A N 0.413 123.335 122.820 0.170 0.000 1.835 399 A HA -0.115 4.205 4.320 0.000 0.000 0.215 399 A C 2.036 179.736 177.584 0.193 0.000 1.199 399 A CA 1.721 53.885 52.037 0.212 0.000 0.615 399 A CB -0.798 18.336 19.000 0.223 0.000 0.838 399 A HN 0.222 nan 8.150 nan 0.000 0.444 400 T N 0.025 114.684 114.554 0.175 0.000 3.928 400 T HA 0.206 4.556 4.350 0.000 0.000 0.247 400 T C 0.690 175.480 174.700 0.151 0.000 0.955 400 T CA 1.217 63.423 62.100 0.176 0.000 0.935 400 T CB -0.185 68.790 68.868 0.178 0.000 1.180 400 T HN 0.587 nan 8.240 nan 0.000 0.660 401 E N 0.791 121.077 120.200 0.142 0.000 3.155 401 E HA 0.203 4.553 4.350 0.000 0.000 0.208 401 E C 1.700 178.333 176.600 0.055 0.000 1.060 401 E CA 0.092 56.549 56.400 0.095 0.000 1.522 401 E CB -0.163 29.585 29.700 0.081 0.000 1.433 401 E HN 0.083 nan 8.360 nan 0.000 0.709 402 K N -0.678 119.717 120.400 -0.008 0.000 2.281 402 K HA -0.109 4.211 4.320 0.000 0.000 0.203 402 K C 1.235 177.765 176.600 -0.118 0.000 1.046 402 K CA 1.456 57.621 56.287 -0.204 0.000 0.938 402 K CB -0.198 31.843 32.500 -0.765 0.000 0.737 402 K HN 0.149 nan 8.250 nan 0.000 0.458 403 Y N -0.427 119.798 120.300 -0.124 0.000 2.222 403 Y HA 0.143 4.693 4.550 0.000 0.000 0.290 403 Y C 1.665 177.578 175.900 0.022 0.000 1.123 403 Y CA 0.913 58.996 58.100 -0.029 0.000 1.120 403 Y CB -0.084 38.409 38.460 0.054 0.000 1.060 403 Y HN -0.130 nan 8.280 nan 0.000 0.508 404 L N -1.240 120.124 121.223 0.236 0.000 2.418 404 L HA 0.192 4.532 4.340 0.000 0.000 0.218 404 L C 2.257 179.184 176.870 0.095 0.000 1.125 404 L CA 0.731 55.669 54.840 0.162 0.000 0.835 404 L CB -0.943 41.225 42.059 0.182 0.000 0.953 404 L HN 0.249 nan 8.230 nan 0.000 0.454 405 G N 0.657 109.503 108.800 0.075 0.000 2.615 405 G HA2 -0.090 3.870 3.960 0.000 0.000 0.213 405 G HA3 -0.090 3.870 3.960 0.000 0.000 0.213 405 G C 1.297 176.211 174.900 0.023 0.000 1.135 405 G CA 0.667 45.793 45.100 0.042 0.000 0.772 405 G HN 0.464 nan 8.290 nan 0.000 0.542 406 G N 0.532 109.345 108.800 0.021 0.000 2.707 406 G HA2 0.166 4.126 3.960 0.000 0.000 0.204 406 G HA3 0.166 4.126 3.960 0.000 0.000 0.204 406 G C 1.056 175.966 174.900 0.017 0.000 1.435 406 G CA 1.206 46.311 45.100 0.008 0.000 0.890 406 G HN 0.610 nan 8.290 nan 0.000 0.552 407 T N -0.742 113.826 114.554 0.023 0.000 2.868 407 T HA 0.320 4.670 4.350 0.000 0.000 0.292 407 T C -0.062 174.655 174.700 0.029 0.000 1.028 407 T CA -0.104 62.010 62.100 0.024 0.000 1.059 407 T CB 1.390 70.274 68.868 0.026 0.000 0.991 407 T HN 0.240 nan 8.240 nan 0.000 0.531 408 D N 0.593 121.008 120.400 0.024 0.000 2.538 408 D HA 0.172 4.812 4.640 0.000 0.000 0.234 408 D C -0.350 175.965 176.300 0.025 0.000 1.191 408 D CA -0.060 53.955 54.000 0.024 0.000 0.828 408 D CB -0.025 40.786 40.800 0.018 0.000 0.981 408 D HN 0.652 nan 8.370 nan 0.000 0.490 409 D N -0.286 120.133 120.400 0.030 0.000 2.362 409 D HA 0.115 4.755 4.640 0.000 0.000 0.247 409 D C 1.344 177.666 176.300 0.038 0.000 1.050 409 D CA -0.532 53.487 54.000 0.031 0.000 0.839 409 D CB 1.604 42.423 40.800 0.031 0.000 1.283 409 D HN -0.172 nan 8.370 nan 0.000 0.477 410 T N 0.301 114.875 114.554 0.033 0.000 2.995 410 T HA -0.067 4.283 4.350 0.000 0.000 0.269 410 T C 1.851 176.577 174.700 0.044 0.000 1.091 410 T CA 0.626 62.746 62.100 0.033 0.000 1.128 410 T CB -0.169 68.712 68.868 0.022 0.000 0.891 410 T HN 0.237 nan 8.240 nan 0.000 0.492 411 V N 1.782 121.724 119.914 0.047 0.000 2.244 411 V HA -0.095 4.025 4.120 0.000 0.000 0.244 411 V C 2.599 178.737 176.094 0.074 0.000 1.042 411 V CA 1.568 63.902 62.300 0.057 0.000 1.006 411 V CB -0.489 31.363 31.823 0.048 0.000 0.641 411 V HN 0.401 nan 8.190 nan 0.000 0.446 412 K N -0.263 120.179 120.400 0.069 0.000 2.442 412 K HA -0.078 4.242 4.320 0.000 0.000 0.198 412 K C 1.954 178.618 176.600 0.106 0.000 1.042 412 K CA 0.667 57.003 56.287 0.082 0.000 0.958 412 K CB -0.080 32.458 32.500 0.064 0.000 0.766 412 K HN 0.378 nan 8.250 nan 0.000 0.474 413 K N 0.445 120.904 120.400 0.099 0.000 2.459 413 K HA -0.052 4.268 4.320 0.000 0.000 0.193 413 K C 1.842 178.537 176.600 0.158 0.000 1.030 413 K CA 0.494 56.853 56.287 0.120 0.000 1.026 413 K CB 0.271 32.820 32.500 0.082 0.000 0.809 413 K HN 0.009 nan 8.250 nan 0.000 0.504 414 K N 1.012 121.502 120.400 0.150 0.000 2.202 414 K HA -0.081 4.239 4.320 0.000 0.000 0.201 414 K C 0.807 177.581 176.600 0.289 0.000 1.051 414 K CA 0.961 57.363 56.287 0.192 0.000 0.977 414 K CB 0.311 32.896 32.500 0.141 0.000 0.792 414 K HN -0.004 nan 8.250 nan 0.000 0.469 415 D N 1.652 122.184 120.400 0.221 0.000 2.084 415 D HA -0.158 4.482 4.640 0.000 0.000 0.194 415 D C 2.053 178.501 176.300 0.246 0.000 0.990 415 D CA 1.071 55.200 54.000 0.215 0.000 0.826 415 D CB -0.257 40.636 40.800 0.154 0.000 0.971 415 D HN 0.204 nan 8.370 nan 0.000 0.453 416 L N 0.032 121.402 121.223 0.245 0.000 2.353 416 L HA -0.133 4.207 4.340 0.000 0.000 0.220 416 L C 2.255 179.357 176.870 0.387 0.000 1.133 416 L CA 0.320 55.340 54.840 0.300 0.000 0.798 416 L CB -0.300 41.911 42.059 0.254 0.000 0.922 416 L HN -0.048 nan 8.230 nan 0.000 0.445 417 F N 0.581 120.639 119.950 0.181 0.000 2.128 417 F HA -0.123 4.404 4.527 0.000 0.000 0.295 417 F C 2.087 177.929 175.800 0.069 0.000 1.100 417 F CA 1.360 59.434 58.000 0.124 0.000 1.260 417 F CB -0.100 38.977 39.000 0.128 0.000 1.009 417 F HN -0.149 nan 8.300 nan 0.000 0.476 418 L N -0.123 121.189 121.223 0.147 0.000 2.201 418 L HA -0.188 4.152 4.340 0.000 0.000 0.212 418 L C 2.010 178.889 176.870 0.015 0.000 1.105 418 L CA 1.251 56.111 54.840 0.033 0.000 0.775 418 L CB -0.860 41.371 42.059 0.286 0.000 0.913 418 L HN 0.182 nan 8.230 nan 0.000 0.440 419 D N 0.113 120.594 120.400 0.135 0.000 2.178 419 D HA -0.147 4.493 4.640 0.000 0.000 0.202 419 D C 2.146 178.572 176.300 0.210 0.000 0.974 419 D CA 0.796 54.929 54.000 0.222 0.000 0.841 419 D CB 0.272 41.264 40.800 0.319 0.000 0.953 419 D HN 0.155 nan 8.370 nan 0.000 0.478 420 L N 1.679 122.885 121.223 -0.028 0.000 1.937 420 L HA -0.165 4.175 4.340 0.000 0.000 0.213 420 L C 2.501 179.139 176.870 -0.387 0.000 1.077 420 L CA 1.377 55.950 54.840 -0.445 0.000 0.758 420 L CB -1.169 40.540 42.059 -0.584 0.000 0.888 420 L HN 0.010 nan 8.230 nan 0.000 0.433 421 I N 0.504 120.736 120.570 -0.564 0.000 2.113 421 I HA -0.396 3.774 4.170 0.000 0.000 0.242 421 I C 2.703 178.622 176.117 -0.330 0.000 1.057 421 I CA 1.778 62.703 61.300 -0.626 0.000 1.314 421 I CB -0.807 36.449 38.000 -1.240 0.000 1.022 421 I HN 0.395 nan 8.210 nan 0.000 0.408 422 A N 0.150 122.892 122.820 -0.131 0.000 1.978 422 A HA -0.266 4.054 4.320 0.000 0.000 0.220 422 A C 1.837 179.475 177.584 0.090 0.000 1.170 422 A CA 2.390 54.511 52.037 0.140 0.000 0.636 422 A CB -0.669 18.428 19.000 0.162 0.000 0.810 422 A HN 0.421 nan 8.150 nan 0.000 0.448 423 D N -1.298 119.079 120.400 -0.038 0.000 2.317 423 D HA 0.031 4.671 4.640 0.000 0.000 0.211 423 D C 1.731 177.791 176.300 -0.399 0.000 0.966 423 D CA 0.752 54.696 54.000 -0.093 0.000 0.876 423 D CB 0.206 41.071 40.800 0.109 0.000 0.927 423 D HN 0.244 nan 8.370 nan 0.000 0.519 424 V N 0.010 119.599 119.914 -0.542 0.000 2.685 424 V HA -0.024 4.096 4.120 0.000 0.000 0.244 424 V C 2.129 177.956 176.094 -0.444 0.000 1.054 424 V CA 0.813 62.685 62.300 -0.713 0.000 1.076 424 V CB -0.103 31.262 31.823 -0.763 0.000 0.725 424 V HN 0.206 nan 8.190 nan 0.000 0.467 425 M N -1.134 118.259 119.600 -0.344 0.000 2.193 425 M HA 0.031 4.511 4.480 0.000 0.000 0.265 425 M C 1.875 177.781 176.300 -0.656 0.000 1.071 425 M CA 2.163 57.158 55.300 -0.509 0.000 1.140 425 M CB -0.203 32.052 32.600 -0.576 0.000 1.369 425 M HN 0.375 nan 8.290 nan 0.000 0.423 426 F N -1.261 118.615 119.950 -0.124 0.000 2.537 426 F HA 0.356 4.883 4.527 0.000 0.000 0.275 426 F C 2.365 178.095 175.800 -0.118 0.000 0.947 426 F CA 0.159 58.106 58.000 -0.087 0.000 1.238 426 F CB -1.497 37.493 39.000 -0.016 0.000 1.071 426 F HN 0.066 nan 8.300 nan 0.000 0.749 427 G N 1.642 110.509 108.800 0.110 0.000 2.912 427 G HA2 -0.283 3.677 3.960 0.000 0.000 0.214 427 G HA3 -0.283 3.677 3.960 0.000 0.000 0.214 427 G C 1.708 176.569 174.900 -0.065 0.000 1.341 427 G CA 2.414 47.518 45.100 0.007 0.000 0.794 427 G HN 0.152 nan 8.290 nan 0.000 0.691 428 V N 2.666 122.503 119.914 -0.129 0.000 2.252 428 V HA -0.175 3.945 4.120 0.000 0.000 0.249 428 V C 0.549 176.559 176.094 -0.140 0.000 1.056 428 V CA 2.672 64.891 62.300 -0.135 0.000 1.022 428 V CB -1.704 29.973 31.823 -0.244 0.000 0.641 428 V HN 0.352 nan 8.190 nan 0.000 0.445 429 P HA -0.176 nan 4.420 nan 0.000 0.214 429 P C 2.059 179.288 177.300 -0.118 0.000 1.172 429 P CA 2.373 65.383 63.100 -0.150 0.000 0.925 429 P CB -0.251 31.341 31.700 -0.180 0.000 0.793 430 S N -0.751 114.885 115.700 -0.106 0.000 2.380 430 S HA -0.160 4.310 4.470 0.000 0.000 0.229 430 S C 2.022 176.511 174.600 -0.185 0.000 1.043 430 S CA 1.627 59.749 58.200 -0.130 0.000 1.038 430 S CB -1.455 61.685 63.200 -0.101 0.000 0.872 430 S HN -0.046 nan 8.310 nan 0.000 0.456 431 V N 1.837 121.658 119.914 -0.155 0.000 2.358 431 V HA -0.144 3.976 4.120 0.000 0.000 0.246 431 V C 2.057 178.067 176.094 -0.139 0.000 1.047 431 V CA 1.459 63.660 62.300 -0.165 0.000 1.035 431 V CB -0.658 31.120 31.823 -0.074 0.000 0.658 431 V HN 0.455 nan 8.190 nan 0.000 0.452 432 I N -0.311 120.205 120.570 -0.090 0.000 2.179 432 I HA -0.210 3.960 4.170 0.000 0.000 0.242 432 I C 2.393 178.474 176.117 -0.061 0.000 1.088 432 I CA 1.281 62.549 61.300 -0.053 0.000 1.357 432 I CB -0.468 37.506 38.000 -0.045 0.000 1.051 432 I HN 0.140 nan 8.210 nan 0.000 0.409 433 V N 1.147 121.011 119.914 -0.084 0.000 2.469 433 V HA -0.323 3.797 4.120 0.000 0.000 0.251 433 V C 2.638 178.674 176.094 -0.097 0.000 1.064 433 V CA 1.968 64.232 62.300 -0.060 0.000 1.066 433 V CB -1.046 30.732 31.823 -0.074 0.000 0.667 433 V HN 0.502 nan 8.190 nan 0.000 0.461 434 A N 0.222 122.905 122.820 -0.227 0.000 1.832 434 A HA -0.175 4.145 4.320 0.000 0.000 0.214 434 A C 2.366 179.841 177.584 -0.183 0.000 1.200 434 A CA 1.579 53.401 52.037 -0.357 0.000 0.610 434 A CB -0.533 18.046 19.000 -0.702 0.000 0.842 434 A HN 0.457 nan 8.150 nan 0.000 0.444 435 R N 0.087 120.519 120.500 -0.114 0.000 2.119 435 R HA -0.214 4.126 4.340 0.000 0.000 0.246 435 R C 1.965 178.303 176.300 0.063 0.000 1.146 435 R CA 1.906 58.045 56.100 0.065 0.000 0.962 435 R CB -0.839 29.513 30.300 0.088 0.000 0.863 435 R HN 0.724 nan 8.270 nan 0.000 0.442 436 N N -0.384 118.344 118.700 0.047 0.000 2.106 436 N HA -0.190 4.550 4.740 0.000 0.000 0.188 436 N C 1.879 177.449 175.510 0.099 0.000 1.029 436 N CA 0.928 54.017 53.050 0.066 0.000 0.848 436 N CB -0.289 38.237 38.487 0.065 0.000 1.007 436 N HN 0.277 nan 8.380 nan 0.000 0.423 437 H N 1.673 120.767 119.070 0.040 0.000 2.387 437 H HA -0.036 4.520 4.556 0.000 0.000 0.299 437 H C 2.206 177.569 175.328 0.057 0.000 1.099 437 H CA 1.544 57.643 56.048 0.084 0.000 1.315 437 H CB 0.037 29.877 29.762 0.129 0.000 1.380 437 H HN 0.054 nan 8.280 nan 0.000 0.513 438 R N 0.233 120.760 120.500 0.045 0.000 2.096 438 R HA -0.150 4.190 4.340 0.000 0.000 0.229 438 R C 1.680 177.963 176.300 -0.029 0.000 1.134 438 R CA 2.143 58.251 56.100 0.013 0.000 0.917 438 R CB -0.309 30.066 30.300 0.125 0.000 0.832 438 R HN 0.428 nan 8.270 nan 0.000 0.430 439 D N 0.435 120.841 120.400 0.010 0.000 2.158 439 D HA -0.200 4.440 4.640 0.000 0.000 0.197 439 D C 1.751 178.036 176.300 -0.024 0.000 0.995 439 D CA 1.500 55.501 54.000 0.001 0.000 0.846 439 D CB -0.408 40.404 40.800 0.021 0.000 0.941 439 D HN 0.466 nan 8.370 nan 0.000 0.456 440 A N 0.286 123.084 122.820 -0.036 0.000 1.997 440 A HA 0.043 4.363 4.320 0.000 0.000 0.221 440 A C 1.787 179.323 177.584 -0.081 0.000 1.172 440 A CA 2.178 54.189 52.037 -0.043 0.000 0.645 440 A CB -0.476 18.504 19.000 -0.035 0.000 0.813 440 A HN 0.440 nan 8.150 nan 0.000 0.454 441 G N -3.131 105.594 108.800 -0.125 0.000 2.337 441 G HA2 0.439 4.399 3.960 0.000 0.000 0.134 441 G HA3 0.439 4.399 3.960 0.000 0.000 0.134 441 G C -0.157 174.646 174.900 -0.161 0.000 1.052 441 G CA 0.133 45.164 45.100 -0.115 0.000 0.737 441 G HN 1.793 nan 8.290 nan 0.000 0.485 442 A N -0.411 122.262 122.820 -0.245 0.000 2.549 442 A HA 0.931 5.251 4.320 0.000 0.000 0.297 442 A C -3.023 174.483 177.584 -0.130 0.000 1.061 442 A CA -1.477 50.421 52.037 -0.231 0.000 0.690 442 A CB 1.732 20.510 19.000 -0.370 0.000 1.287 442 A HN 0.087 nan 8.150 nan 0.000 0.402 443 P HA 0.205 nan 4.420 nan 0.000 0.260 443 P C -0.434 176.963 177.300 0.163 0.000 1.185 443 P CA 1.005 64.144 63.100 0.065 0.000 0.763 443 P CB 0.463 32.252 31.700 0.148 0.000 0.776 444 T N 3.074 117.593 114.554 -0.057 0.000 2.893 444 T HA 0.609 4.959 4.350 0.000 0.000 0.291 444 T C -1.087 173.365 174.700 -0.413 0.000 1.028 444 T CA -0.347 61.744 62.100 -0.015 0.000 0.995 444 T CB 1.030 69.945 68.868 0.078 0.000 1.051 444 T HN 0.103 nan 8.240 nan 0.000 0.470 445 Y N 0.595 120.840 120.300 -0.091 0.000 2.479 445 Y HA 0.642 5.192 4.550 0.000 0.000 0.338 445 Y C -0.323 175.507 175.900 -0.116 0.000 1.055 445 Y CA -1.018 56.975 58.100 -0.178 0.000 1.023 445 Y CB 2.094 40.176 38.460 -0.629 0.000 1.287 445 Y HN 0.451 nan 8.280 nan 0.000 0.447 446 M N 3.513 123.340 119.600 0.378 0.000 2.619 446 M HA 0.579 5.059 4.480 0.000 0.000 0.297 446 M C -1.643 175.033 176.300 0.627 0.000 1.229 446 M CA -1.013 54.452 55.300 0.275 0.000 0.860 446 M CB 3.322 35.966 32.600 0.073 0.000 1.741 446 M HN 0.726 nan 8.290 nan 0.000 0.462 447 Y N -1.406 119.118 120.300 0.373 0.000 2.581 447 Y HA 0.653 5.203 4.550 0.000 0.000 0.337 447 Y C -1.530 174.492 175.900 0.204 0.000 1.108 447 Y CA -0.955 57.335 58.100 0.317 0.000 1.033 447 Y CB 1.489 40.098 38.460 0.249 0.000 1.318 447 Y HN 0.684 nan 8.280 nan 0.000 0.459 448 E N 3.774 124.267 120.200 0.488 0.000 2.331 448 E HA 0.250 4.600 4.350 0.000 0.000 0.243 448 E C -1.801 175.064 176.600 0.441 0.000 0.925 448 E CA -0.806 55.801 56.400 0.345 0.000 0.760 448 E CB 0.761 30.566 29.700 0.174 0.000 1.254 448 E HN 0.672 nan 8.360 nan 0.000 0.419 449 F N 3.281 123.482 119.950 0.418 0.000 2.572 449 F HA 0.048 4.575 4.527 0.000 0.000 0.370 449 F C 0.133 176.040 175.800 0.177 0.000 1.103 449 F CA 0.758 58.899 58.000 0.236 0.000 1.286 449 F CB 0.667 39.802 39.000 0.224 0.000 1.105 449 F HN 0.459 nan 8.300 nan 0.000 0.583 450 Q N 6.968 126.663 119.800 -0.174 0.000 3.147 450 Q HA 0.237 4.577 4.340 0.000 0.000 0.224 450 Q C -2.331 173.619 176.000 -0.084 0.000 0.901 450 Q CA -0.599 55.209 55.803 0.008 0.000 0.729 450 Q CB 0.863 29.618 28.738 0.027 0.000 1.363 450 Q HN 0.803 nan 8.270 nan 0.000 0.467 451 Y N 1.046 121.284 120.300 -0.104 0.000 2.465 451 Y HA 0.334 4.884 4.550 0.000 0.000 0.323 451 Y C -1.927 174.075 175.900 0.170 0.000 1.191 451 Y CA -0.721 57.333 58.100 -0.076 0.000 1.082 451 Y CB 1.417 39.670 38.460 -0.344 0.000 1.334 451 Y HN 0.527 nan 8.280 nan 0.000 0.449 452 R N 7.466 127.727 120.500 -0.399 0.000 2.207 452 R HA 0.486 4.826 4.340 0.000 0.000 0.334 452 R C -2.585 173.517 176.300 -0.330 0.000 1.013 452 R CA -1.799 54.163 56.100 -0.230 0.000 0.858 452 R CB 0.896 31.052 30.300 -0.241 0.000 1.094 452 R HN 0.452 nan 8.270 nan 0.000 0.457 453 P HA 0.026 nan 4.420 nan 0.000 0.275 453 P C -0.250 176.846 177.300 -0.340 0.000 1.266 453 P CA -0.228 62.779 63.100 -0.155 0.000 0.793 453 P CB 1.199 32.811 31.700 -0.147 0.000 1.074 454 S N -1.682 113.664 115.700 -0.590 0.000 2.511 454 S HA 0.129 4.599 4.470 0.000 0.000 0.214 454 S C 1.450 175.873 174.600 -0.294 0.000 0.997 454 S CA -0.301 57.645 58.200 -0.423 0.000 0.908 454 S CB -0.887 62.078 63.200 -0.391 0.000 0.803 454 S HN 0.376 nan 8.310 nan 0.000 0.504 455 F N 2.685 122.435 119.950 -0.333 0.000 2.802 455 F HA 0.205 4.732 4.527 0.000 0.000 0.300 455 F C 1.710 177.331 175.800 -0.298 0.000 1.168 455 F CA -0.528 57.234 58.000 -0.395 0.000 1.433 455 F CB -0.235 38.328 39.000 -0.729 0.000 1.115 455 F HN 0.124 nan 8.300 nan 0.000 0.582 456 S N -0.030 115.610 115.700 -0.101 0.000 2.700 456 S HA -0.021 4.449 4.470 0.000 0.000 0.250 456 S C 0.521 175.116 174.600 -0.009 0.000 1.355 456 S CA -0.257 57.935 58.200 -0.013 0.000 0.970 456 S CB 0.349 63.515 63.200 -0.057 0.000 0.975 456 S HN 0.247 nan 8.310 nan 0.000 0.563 457 S N -0.366 115.298 115.700 -0.060 0.000 2.689 457 S HA 0.282 4.752 4.470 0.000 0.000 0.306 457 S C 0.603 175.101 174.600 -0.171 0.000 1.104 457 S CA -0.482 57.672 58.200 -0.077 0.000 0.973 457 S CB 0.955 64.141 63.200 -0.024 0.000 1.121 457 S HN 0.753 nan 8.310 nan 0.000 0.523 458 D N 1.306 121.632 120.400 -0.122 0.000 2.277 458 D HA -0.083 4.557 4.640 0.000 0.000 0.208 458 D C 1.494 177.679 176.300 -0.192 0.000 0.962 458 D CA 0.681 54.602 54.000 -0.131 0.000 0.865 458 D CB -0.138 40.620 40.800 -0.070 0.000 0.939 458 D HN 0.411 nan 8.370 nan 0.000 0.510 459 M N 0.582 120.044 119.600 -0.230 0.000 2.319 459 M HA 0.021 4.501 4.480 0.000 0.000 0.265 459 M C 0.929 176.809 176.300 -0.699 0.000 1.068 459 M CA 0.571 55.718 55.300 -0.255 0.000 1.118 459 M CB -0.267 32.348 32.600 0.026 0.000 1.395 459 M HN -0.159 nan 8.290 nan 0.000 0.435 460 K N 2.791 122.494 120.400 -1.162 0.000 2.338 460 K HA 0.133 4.453 4.320 0.000 0.000 0.290 460 K C -2.305 173.934 176.600 -0.603 0.000 1.069 460 K CA -1.616 53.804 56.287 -1.444 0.000 0.941 460 K CB 0.372 32.160 32.500 -1.188 0.000 1.023 460 K HN 0.012 nan 8.250 nan 0.000 0.477 461 P HA -0.036 nan 4.420 nan 0.000 0.263 461 P C -0.527 176.694 177.300 -0.132 0.000 1.195 461 P CA 0.198 63.191 63.100 -0.178 0.000 0.762 461 P CB 0.794 32.452 31.700 -0.070 0.000 0.799 462 K N 1.383 121.715 120.400 -0.113 0.000 2.442 462 K HA -0.117 4.203 4.320 0.000 0.000 0.200 462 K C 1.770 178.335 176.600 -0.058 0.000 1.045 462 K CA 1.855 58.086 56.287 -0.093 0.000 0.937 462 K CB -0.441 32.007 32.500 -0.087 0.000 0.757 462 K HN 0.625 nan 8.250 nan 0.000 0.474 463 T N -2.156 112.378 114.554 -0.032 0.000 3.035 463 T HA -0.003 4.348 4.350 0.000 0.000 0.268 463 T C 0.814 175.525 174.700 0.019 0.000 1.109 463 T CA 0.108 62.206 62.100 -0.002 0.000 1.119 463 T CB -0.051 68.828 68.868 0.018 0.000 0.900 463 T HN -0.191 nan 8.240 nan 0.000 0.503 464 V N 2.415 122.342 119.914 0.021 0.000 2.432 464 V HA 0.460 4.580 4.120 0.000 0.000 0.271 464 V C 0.060 176.183 176.094 0.048 0.000 1.046 464 V CA -0.686 61.651 62.300 0.063 0.000 0.945 464 V CB 0.562 32.447 31.823 0.105 0.000 0.992 464 V HN 0.430 nan 8.190 nan 0.000 0.471 465 I N 2.931 123.543 120.570 0.069 0.000 2.689 465 I HA 0.629 4.799 4.170 0.000 0.000 0.299 465 I C 1.060 177.261 176.117 0.140 0.000 1.059 465 I CA -0.688 60.651 61.300 0.066 0.000 1.055 465 I CB 1.916 39.932 38.000 0.027 0.000 1.243 465 I HN 0.748 nan 8.210 nan 0.000 0.425 466 G N 2.917 111.844 108.800 0.211 0.000 2.305 466 G HA2 -0.260 3.700 3.960 0.000 0.000 0.287 466 G HA3 -0.260 3.700 3.960 0.000 0.000 0.287 466 G C -0.020 175.021 174.900 0.235 0.000 1.036 466 G CA 0.497 45.792 45.100 0.324 0.000 0.887 466 G HN 0.782 nan 8.290 nan 0.000 0.505 467 D N -0.772 119.753 120.400 0.209 0.000 2.273 467 D HA 0.225 4.865 4.640 0.000 0.000 0.247 467 D C 0.961 177.360 176.300 0.165 0.000 1.313 467 D CA -0.355 53.764 54.000 0.198 0.000 0.974 467 D CB 0.238 41.192 40.800 0.256 0.000 1.157 467 D HN 0.334 nan 8.370 nan 0.000 0.533 468 H N -1.446 117.648 119.070 0.040 0.000 2.886 468 H HA 0.346 4.902 4.556 0.000 0.000 0.329 468 H C 1.278 176.610 175.328 0.007 0.000 1.044 468 H CA 1.383 57.417 56.048 -0.022 0.000 1.456 468 H CB 0.317 30.062 29.762 -0.028 0.000 1.464 468 H HN 0.552 nan 8.280 nan 0.000 0.573 469 G N 4.467 112.958 108.800 -0.515 0.000 2.196 469 G HA2 -0.375 3.585 3.960 0.000 0.000 0.268 469 G HA3 -0.375 3.585 3.960 0.000 0.000 0.268 469 G C 1.262 175.851 174.900 -0.519 0.000 0.975 469 G CA 0.683 45.420 45.100 -0.604 0.000 0.648 469 G HN 0.707 nan 8.290 nan 0.000 0.538 470 D N 0.789 121.021 120.400 -0.281 0.000 2.221 470 D HA -0.101 4.539 4.640 0.000 0.000 0.204 470 D C 2.407 178.400 176.300 -0.512 0.000 0.982 470 D CA 1.381 55.288 54.000 -0.154 0.000 0.857 470 D CB -0.054 40.798 40.800 0.085 0.000 0.934 470 D HN 0.787 nan 8.370 nan 0.000 0.475 471 E N 1.279 120.914 120.200 -0.941 0.000 2.338 471 E HA -0.148 4.202 4.350 0.000 0.000 0.197 471 E C 2.303 178.558 176.600 -0.575 0.000 1.007 471 E CA 0.210 55.907 56.400 -1.172 0.000 0.849 471 E CB -0.589 28.531 29.700 -0.967 0.000 0.774 471 E HN 0.334 nan 8.360 nan 0.000 0.506 472 L N -0.050 120.843 121.223 -0.551 0.000 1.990 472 L HA -0.195 4.145 4.340 0.000 0.000 0.213 472 L C 2.727 179.412 176.870 -0.308 0.000 1.072 472 L CA 1.975 56.553 54.840 -0.436 0.000 0.755 472 L CB -0.879 40.808 42.059 -0.620 0.000 0.889 472 L HN 0.035 nan 8.230 nan 0.000 0.432 473 F N -0.158 119.785 119.950 -0.013 0.000 2.120 473 F HA -0.273 4.254 4.527 0.000 0.000 0.300 473 F C 2.717 178.568 175.800 0.084 0.000 1.095 473 F CA 1.414 59.482 58.000 0.113 0.000 1.249 473 F CB -0.698 38.440 39.000 0.231 0.000 0.995 473 F HN 0.019 nan 8.300 nan 0.000 0.480 474 S N 0.114 115.898 115.700 0.140 0.000 2.345 474 S HA -0.121 4.349 4.470 0.000 0.000 0.219 474 S C 2.275 176.802 174.600 -0.121 0.000 1.031 474 S CA 1.150 59.369 58.200 0.032 0.000 0.984 474 S CB -0.593 62.616 63.200 0.015 0.000 0.874 474 S HN 0.115 nan 8.310 nan 0.000 0.451 475 V N 0.813 120.521 119.914 -0.344 0.000 2.324 475 V HA -0.173 3.947 4.120 0.000 0.000 0.250 475 V C 1.371 177.202 176.094 -0.439 0.000 1.060 475 V CA 1.664 63.605 62.300 -0.598 0.000 1.042 475 V CB -0.720 30.616 31.823 -0.812 0.000 0.650 475 V HN 0.469 nan 8.190 nan 0.000 0.450 476 F N 0.473 120.328 119.950 -0.159 0.000 2.713 476 F HA 0.453 4.980 4.527 0.000 0.000 0.294 476 F C 1.622 177.434 175.800 0.019 0.000 1.152 476 F CA 0.253 58.193 58.000 -0.100 0.000 1.385 476 F CB -0.338 38.564 39.000 -0.165 0.000 0.981 476 F HN 0.240 nan 8.300 nan 0.000 0.514 477 G N 1.166 110.092 108.800 0.209 0.000 2.424 477 G HA2 -0.321 3.639 3.960 0.000 0.000 0.290 477 G HA3 -0.321 3.639 3.960 0.000 0.000 0.290 477 G C 1.256 176.428 174.900 0.452 0.000 0.912 477 G CA 0.434 45.772 45.100 0.397 0.000 1.142 477 G HN 0.601 nan 8.290 nan 0.000 0.501 478 A N 0.525 123.558 122.820 0.355 0.000 1.940 478 A HA 0.072 4.392 4.320 0.000 0.000 0.219 478 A C 0.758 178.431 177.584 0.148 0.000 1.176 478 A CA 2.006 54.190 52.037 0.245 0.000 0.631 478 A CB -0.819 18.418 19.000 0.394 0.000 0.814 478 A HN 0.489 nan 8.150 nan 0.000 0.446 479 P HA -0.180 nan 4.420 nan 0.000 0.217 479 P C 0.574 177.732 177.300 -0.237 0.000 1.148 479 P CA 1.146 64.257 63.100 0.018 0.000 0.834 479 P CB -0.217 31.288 31.700 -0.324 0.000 0.783 480 F N -2.462 117.550 119.950 0.104 0.000 2.804 480 F HA 0.147 4.674 4.527 0.000 0.000 0.303 480 F C 1.707 177.548 175.800 0.069 0.000 1.154 480 F CA 0.567 58.634 58.000 0.112 0.000 1.401 480 F CB -0.512 38.599 39.000 0.185 0.000 1.106 480 F HN -0.118 nan 8.300 nan 0.000 0.568 481 L N -1.918 119.372 121.223 0.111 0.000 2.815 481 L HA 0.213 4.553 4.340 0.000 0.000 0.241 481 L C 0.856 177.678 176.870 -0.080 0.000 1.047 481 L CA 0.043 54.902 54.840 0.033 0.000 0.939 481 L CB 0.165 42.236 42.059 0.020 0.000 1.490 481 L HN -0.250 nan 8.230 nan 0.000 0.510 482 K N 0.464 120.730 120.400 -0.223 0.000 2.148 482 K HA 0.442 4.762 4.320 0.000 0.000 0.239 482 K C -0.683 175.811 176.600 -0.176 0.000 1.018 482 K CA -0.588 55.492 56.287 -0.344 0.000 0.923 482 K CB 1.205 33.161 32.500 -0.905 0.000 1.117 482 K HN -0.208 nan 8.250 nan 0.000 0.477 483 E N -1.412 118.720 120.200 -0.114 0.000 2.249 483 E HA 0.408 4.758 4.350 0.000 0.000 0.263 483 E C 0.175 176.839 176.600 0.107 0.000 0.950 483 E CA 0.441 56.844 56.400 0.005 0.000 0.827 483 E CB 1.721 31.417 29.700 -0.006 0.000 1.220 483 E HN 0.686 nan 8.360 nan 0.000 0.411 484 G N 0.584 109.438 108.800 0.089 0.000 2.195 484 G HA2 -0.245 3.715 3.960 0.000 0.000 0.246 484 G HA3 -0.245 3.715 3.960 0.000 0.000 0.246 484 G C 0.308 175.255 174.900 0.077 0.000 0.984 484 G CA -0.029 45.121 45.100 0.084 0.000 0.633 484 G HN 0.775 nan 8.290 nan 0.000 0.525 485 A N 0.998 123.903 122.820 0.142 0.000 2.484 485 A HA 0.606 4.926 4.320 0.000 0.000 0.268 485 A C 1.071 178.635 177.584 -0.034 0.000 1.114 485 A CA 1.088 53.148 52.037 0.038 0.000 0.780 485 A CB 0.028 19.103 19.000 0.125 0.000 1.061 485 A HN 1.987 nan 8.150 nan 0.000 0.505 486 S N 1.768 117.429 115.700 -0.065 0.000 2.592 486 S HA 0.196 4.666 4.470 0.000 0.000 0.271 486 S C 0.882 175.448 174.600 -0.056 0.000 1.326 486 S CA 0.240 58.411 58.200 -0.048 0.000 1.024 486 S CB 1.049 64.225 63.200 -0.040 0.000 0.921 486 S HN 0.765 nan 8.310 nan 0.000 0.527 487 E N 0.814 120.989 120.200 -0.042 0.000 2.219 487 E HA -0.226 4.124 4.350 0.000 0.000 0.198 487 E C 1.760 178.331 176.600 -0.047 0.000 0.998 487 E CA 1.892 58.266 56.400 -0.042 0.000 0.818 487 E CB -0.249 29.438 29.700 -0.022 0.000 0.741 487 E HN 0.870 nan 8.360 nan 0.000 0.477 488 E N 0.199 120.377 120.200 -0.037 0.000 2.031 488 E HA -0.262 4.088 4.350 0.000 0.000 0.193 488 E C 2.047 178.599 176.600 -0.079 0.000 0.994 488 E CA 1.384 57.764 56.400 -0.034 0.000 0.800 488 E CB -0.201 29.506 29.700 0.013 0.000 0.752 488 E HN 0.425 nan 8.360 nan 0.000 0.447 489 E N 0.267 120.424 120.200 -0.072 0.000 2.110 489 E HA -0.183 4.167 4.350 0.000 0.000 0.193 489 E C 2.170 178.670 176.600 -0.167 0.000 0.988 489 E CA 1.100 57.416 56.400 -0.140 0.000 0.804 489 E CB -0.090 29.546 29.700 -0.106 0.000 0.745 489 E HN 0.372 nan 8.360 nan 0.000 0.458 490 I N 0.498 120.969 120.570 -0.165 0.000 2.127 490 I HA -0.305 3.865 4.170 0.000 0.000 0.241 490 I C 2.757 178.816 176.117 -0.097 0.000 1.075 490 I CA 1.243 62.402 61.300 -0.235 0.000 1.334 490 I CB -0.327 37.546 38.000 -0.212 0.000 1.040 490 I HN 0.092 nan 8.210 nan 0.000 0.405 491 R N 0.169 120.629 120.500 -0.067 0.000 2.096 491 R HA -0.189 4.151 4.340 0.000 0.000 0.235 491 R C 2.282 178.543 176.300 -0.065 0.000 1.127 491 R CA 1.228 57.306 56.100 -0.036 0.000 0.968 491 R CB -0.456 29.820 30.300 -0.041 0.000 0.861 491 R HN 0.239 nan 8.270 nan 0.000 0.440 492 L N 0.559 121.702 121.223 -0.133 0.000 2.012 492 L HA -0.180 4.160 4.340 0.000 0.000 0.210 492 L C 2.279 179.081 176.870 -0.114 0.000 1.073 492 L CA 2.052 56.779 54.840 -0.189 0.000 0.748 492 L CB -0.926 40.896 42.059 -0.395 0.000 0.891 492 L HN 0.030 nan 8.230 nan 0.000 0.431 493 S N -0.966 114.697 115.700 -0.061 0.000 2.368 493 S HA -0.213 4.257 4.470 0.000 0.000 0.224 493 S C 2.087 176.709 174.600 0.036 0.000 1.029 493 S CA 1.373 59.586 58.200 0.021 0.000 0.988 493 S CB -0.254 63.038 63.200 0.153 0.000 0.838 493 S HN 0.548 nan 8.310 nan 0.000 0.462 494 K N 0.288 120.735 120.400 0.079 0.000 2.103 494 K HA -0.132 4.188 4.320 0.000 0.000 0.207 494 K C 2.282 178.854 176.600 -0.046 0.000 1.048 494 K CA 1.761 58.057 56.287 0.014 0.000 0.930 494 K CB -0.266 32.267 32.500 0.054 0.000 0.716 494 K HN 0.477 nan 8.250 nan 0.000 0.444 495 M N 0.525 120.088 119.600 -0.062 0.000 2.064 495 M HA -0.172 4.308 4.480 0.000 0.000 0.260 495 M C 2.053 178.320 176.300 -0.056 0.000 1.073 495 M CA 1.546 56.769 55.300 -0.129 0.000 1.124 495 M CB 0.006 32.547 32.600 -0.098 0.000 1.326 495 M HN -0.062 nan 8.290 nan 0.000 0.410 496 V N 1.127 121.063 119.914 0.037 0.000 2.324 496 V HA -0.351 3.769 4.120 0.000 0.000 0.250 496 V C 2.487 178.595 176.094 0.024 0.000 1.060 496 V CA 1.979 64.318 62.300 0.066 0.000 1.042 496 V CB -0.754 30.908 31.823 -0.269 0.000 0.650 496 V HN 0.567 nan 8.190 nan 0.000 0.450 497 M N -0.691 118.870 119.600 -0.066 0.000 2.080 497 M HA -0.242 4.238 4.480 0.000 0.000 0.260 497 M C 2.369 178.724 176.300 0.092 0.000 1.068 497 M CA 1.943 57.222 55.300 -0.034 0.000 1.109 497 M CB -0.628 31.930 32.600 -0.070 0.000 1.342 497 M HN 0.248 nan 8.290 nan 0.000 0.405 498 K N 0.181 120.604 120.400 0.038 0.000 2.032 498 K HA -0.146 4.174 4.320 0.000 0.000 0.209 498 K C 1.805 178.492 176.600 0.144 0.000 1.048 498 K CA 1.613 57.912 56.287 0.020 0.000 0.927 498 K CB -0.178 32.250 32.500 -0.120 0.000 0.712 498 K HN 0.155 nan 8.250 nan 0.000 0.441 499 F N -0.257 119.839 119.950 0.243 0.000 2.046 499 F HA -0.299 4.228 4.527 0.000 0.000 0.297 499 F C 2.436 178.481 175.800 0.407 0.000 1.123 499 F CA 1.033 59.255 58.000 0.372 0.000 1.199 499 F CB -0.294 39.063 39.000 0.595 0.000 0.972 499 F HN 0.278 nan 8.300 nan 0.000 0.474 500 W N 0.220 121.662 121.300 0.237 0.000 2.317 500 W HA -0.308 4.352 4.660 0.000 0.000 0.318 500 W C 2.647 179.196 176.519 0.051 0.000 1.227 500 W CA 0.980 58.372 57.345 0.078 0.000 1.269 500 W CB -0.725 28.705 29.460 -0.049 0.000 1.155 500 W HN 0.058 nan 8.180 nan 0.000 0.484 501 A N 0.789 123.769 122.820 0.266 0.000 1.865 501 A HA -0.271 4.049 4.320 0.000 0.000 0.217 501 A C 1.740 179.393 177.584 0.115 0.000 1.191 501 A CA 2.096 54.213 52.037 0.133 0.000 0.623 501 A CB -1.264 17.796 19.000 0.101 0.000 0.826 501 A HN 0.290 nan 8.150 nan 0.000 0.444 502 N N -0.926 117.860 118.700 0.144 0.000 2.094 502 N HA -0.193 4.547 4.740 0.000 0.000 0.191 502 N C 1.438 177.000 175.510 0.086 0.000 1.023 502 N CA 1.741 54.857 53.050 0.110 0.000 0.857 502 N CB -0.685 37.887 38.487 0.140 0.000 1.013 502 N HN 0.538 nan 8.380 nan 0.000 0.426 503 F N 1.637 121.546 119.950 -0.069 0.000 2.102 503 F HA -0.079 4.448 4.527 0.000 0.000 0.298 503 F C 2.121 177.859 175.800 -0.103 0.000 1.105 503 F CA 1.385 59.282 58.000 -0.172 0.000 1.239 503 F CB -0.558 38.249 39.000 -0.322 0.000 0.991 503 F HN 0.040 nan 8.300 nan 0.000 0.474 504 A N -0.213 122.587 122.820 -0.032 0.000 2.259 504 A HA -0.079 4.242 4.320 0.000 0.000 0.212 504 A C 2.230 179.760 177.584 -0.090 0.000 1.178 504 A CA 1.200 53.179 52.037 -0.096 0.000 0.734 504 A CB -0.650 18.331 19.000 -0.032 0.000 0.774 504 A HN 0.511 nan 8.150 nan 0.000 0.481 505 R N -1.201 119.250 120.500 -0.082 0.000 2.102 505 R HA 0.095 4.435 4.340 0.000 0.000 0.208 505 R C 0.965 177.215 176.300 -0.083 0.000 1.131 505 R CA 0.879 56.947 56.100 -0.053 0.000 1.054 505 R CB 0.078 30.372 30.300 -0.009 0.000 0.954 505 R HN 0.530 nan 8.270 nan 0.000 0.465 506 N N -1.233 117.407 118.700 -0.100 0.000 2.257 506 N HA 0.089 4.829 4.740 0.000 0.000 0.200 506 N C 0.503 175.925 175.510 -0.145 0.000 1.163 506 N CA 0.912 53.909 53.050 -0.089 0.000 0.891 506 N CB 1.855 40.322 38.487 -0.033 0.000 1.067 506 N HN 0.330 nan 8.380 nan 0.000 0.497 507 G N 1.698 110.318 108.800 -0.299 0.000 2.142 507 G HA2 -0.220 3.740 3.960 0.000 0.000 0.225 507 G HA3 -0.220 3.740 3.960 0.000 0.000 0.225 507 G C -0.407 174.441 174.900 -0.086 0.000 1.015 507 G CA -0.115 44.705 45.100 -0.466 0.000 0.716 507 G HN 0.418 nan 8.290 nan 0.000 0.508 508 N N -0.300 118.367 118.700 -0.056 0.000 2.616 508 N HA 0.323 5.063 4.740 0.000 0.000 0.281 508 N C -1.715 173.737 175.510 -0.096 0.000 1.145 508 N CA -0.979 52.022 53.050 -0.081 0.000 0.919 508 N CB 2.198 40.713 38.487 0.045 0.000 1.509 508 N HN -0.049 nan 8.380 nan 0.000 0.537 509 P HA -0.073 nan 4.420 nan 0.000 0.225 509 P C -0.192 177.299 177.300 0.318 0.000 1.148 509 P CA 0.518 63.647 63.100 0.047 0.000 0.779 509 P CB 0.248 31.813 31.700 -0.225 0.000 0.780 510 N N 0.885 119.690 118.700 0.175 0.000 2.395 510 N HA 0.270 5.010 4.740 0.000 0.000 0.246 510 N C 1.043 176.663 175.510 0.183 0.000 1.246 510 N CA 1.122 54.321 53.050 0.249 0.000 0.879 510 N CB 0.274 38.870 38.487 0.182 0.000 1.098 510 N HN 0.186 nan 8.380 nan 0.000 0.444 511 G N -0.473 108.428 108.800 0.168 0.000 2.441 511 G HA2 0.107 4.067 3.960 0.000 0.000 0.294 511 G HA3 0.107 4.067 3.960 0.000 0.000 0.294 511 G C -1.593 173.347 174.900 0.068 0.000 1.393 511 G CA -0.651 44.504 45.100 0.091 0.000 0.796 511 G HN 0.434 nan 8.290 nan 0.000 0.494 512 E N -0.072 120.152 120.200 0.040 0.000 2.316 512 E HA 0.446 4.796 4.350 0.000 0.000 0.275 512 E C 1.110 177.709 176.600 -0.002 0.000 1.029 512 E CA 0.889 57.306 56.400 0.029 0.000 0.871 512 E CB 0.633 30.348 29.700 0.025 0.000 1.022 512 E HN 1.878 nan 8.360 nan 0.000 0.418 513 G N 3.841 112.642 108.800 0.002 0.000 2.157 513 G HA2 -0.227 3.733 3.960 0.000 0.000 0.239 513 G HA3 -0.227 3.733 3.960 0.000 0.000 0.239 513 G C -0.119 174.749 174.900 -0.053 0.000 0.982 513 G CA 0.295 45.383 45.100 -0.020 0.000 0.650 513 G HN 0.440 nan 8.290 nan 0.000 0.527 514 L N 0.170 121.365 121.223 -0.046 0.000 2.381 514 L HA 0.564 4.904 4.340 0.000 0.000 0.268 514 L C -2.018 174.922 176.870 0.117 0.000 0.997 514 L CA -2.441 52.344 54.840 -0.091 0.000 0.818 514 L CB 1.948 43.780 42.059 -0.379 0.000 1.310 514 L HN -0.145 nan 8.230 nan 0.000 0.416 515 P HA -0.007 nan 4.420 nan 0.000 0.270 515 P C -0.977 176.532 177.300 0.349 0.000 1.227 515 P CA -0.159 63.082 63.100 0.235 0.000 0.788 515 P CB 0.283 32.094 31.700 0.185 0.000 0.926 516 H N 0.377 119.564 119.070 0.196 0.000 2.690 516 H HA 0.213 4.769 4.556 0.000 0.000 0.314 516 H C -1.019 174.467 175.328 0.263 0.000 1.069 516 H CA -0.062 56.127 56.048 0.234 0.000 1.436 516 H CB 0.197 30.056 29.762 0.162 0.000 1.462 516 H HN 0.331 nan 8.280 nan 0.000 0.511 517 W N 9.672 130.750 121.300 -0.371 0.000 2.283 517 W HA 0.299 4.959 4.660 0.000 0.000 0.317 517 W C -2.703 173.691 176.519 -0.208 0.000 1.042 517 W CA -3.245 53.955 57.345 -0.242 0.000 1.348 517 W CB 0.760 30.042 29.460 -0.297 0.000 1.216 517 W HN 0.560 nan 8.180 nan 0.000 0.404 518 P HA -0.030 nan 4.420 nan 0.000 0.267 518 P C -0.318 177.198 177.300 0.360 0.000 1.205 518 P CA 0.360 63.649 63.100 0.315 0.000 0.765 518 P CB 0.915 32.755 31.700 0.233 0.000 0.828 519 E N 3.452 123.761 120.200 0.182 0.000 2.265 519 E HA -0.050 4.300 4.350 0.000 0.000 0.272 519 E C -0.649 175.879 176.600 -0.119 0.000 1.067 519 E CA -0.537 55.722 56.400 -0.235 0.000 0.900 519 E CB -0.072 29.500 29.700 -0.213 0.000 1.017 519 E HN 0.389 nan 8.360 nan 0.000 0.431 520 Y N 6.537 126.700 120.300 -0.227 0.000 2.781 520 Y HA -0.128 4.422 4.550 0.000 0.000 0.365 520 Y C 0.017 175.864 175.900 -0.087 0.000 1.291 520 Y CA 0.333 58.393 58.100 -0.066 0.000 1.772 520 Y CB -0.388 38.048 38.460 -0.041 0.000 1.361 520 Y HN 0.587 nan 8.280 nan 0.000 0.484 521 N N 0.962 119.598 118.700 -0.107 0.000 3.357 521 N HA 0.066 4.806 4.740 0.000 0.000 0.359 521 N C 0.921 176.366 175.510 -0.108 0.000 1.477 521 N CA -0.017 53.003 53.050 -0.050 0.000 0.645 521 N CB -0.250 38.212 38.487 -0.042 0.000 1.703 521 N HN 0.361 nan 8.380 nan 0.000 0.597 522 Q N -0.004 119.761 119.800 -0.059 0.000 2.112 522 Q HA -0.152 4.188 4.340 0.000 0.000 0.206 522 Q C 0.935 176.879 176.000 -0.094 0.000 0.987 522 Q CA 1.707 57.478 55.803 -0.054 0.000 0.858 522 Q CB -0.652 28.070 28.738 -0.026 0.000 0.905 522 Q HN 0.508 nan 8.270 nan 0.000 0.420 523 K N 0.936 121.274 120.400 -0.103 0.000 2.362 523 K HA -0.032 4.288 4.320 0.000 0.000 0.200 523 K C -0.041 176.451 176.600 -0.181 0.000 1.046 523 K CA 0.545 56.772 56.287 -0.100 0.000 0.952 523 K CB 0.061 32.526 32.500 -0.059 0.000 0.753 523 K HN 0.348 nan 8.250 nan 0.000 0.466 524 E N -0.501 119.473 120.200 -0.377 0.000 2.271 524 E HA -0.163 4.187 4.350 0.000 0.000 0.223 524 E C -0.209 176.125 176.600 -0.443 0.000 1.223 524 E CA 0.231 56.147 56.400 -0.807 0.000 0.704 524 E CB -1.729 27.652 29.700 -0.532 0.000 1.194 524 E HN 0.461 nan 8.360 nan 0.000 0.375 525 G N 0.990 109.645 108.800 -0.242 0.000 2.353 525 G HA2 0.457 4.417 3.960 0.000 0.000 0.284 525 G HA3 0.457 4.417 3.960 0.000 0.000 0.284 525 G C -0.368 174.679 174.900 0.245 0.000 1.172 525 G CA -0.272 44.833 45.100 0.009 0.000 0.854 525 G HN 0.279 nan 8.290 nan 0.000 0.485 526 Y N 0.748 121.153 120.300 0.175 0.000 2.693 526 Y HA 0.796 5.346 4.550 0.000 0.000 0.331 526 Y C -1.186 174.768 175.900 0.090 0.000 1.092 526 Y CA -1.947 56.330 58.100 0.295 0.000 1.131 526 Y CB 1.759 40.392 38.460 0.288 0.000 1.318 526 Y HN 0.474 nan 8.280 nan 0.000 0.510 527 L N 2.065 123.315 121.223 0.045 0.000 2.313 527 L HA 0.436 4.776 4.340 0.000 0.000 0.283 527 L C -0.960 175.818 176.870 -0.153 0.000 1.013 527 L CA -0.444 54.094 54.840 -0.504 0.000 0.816 527 L CB 1.750 42.825 42.059 -1.641 0.000 1.236 527 L HN 0.726 nan 8.230 nan 0.000 0.419 528 Q N 6.355 126.028 119.800 -0.211 0.000 2.456 528 Q HA 0.396 4.736 4.340 0.000 0.000 0.234 528 Q C -0.885 175.040 176.000 -0.126 0.000 1.061 528 Q CA -0.195 55.600 55.803 -0.013 0.000 0.896 528 Q CB 1.058 29.780 28.738 -0.026 0.000 1.233 528 Q HN 0.580 nan 8.270 nan 0.000 0.506 529 I N 1.746 122.235 120.570 -0.135 0.000 2.395 529 I HA 0.515 4.685 4.170 0.000 0.000 0.289 529 I C 0.843 176.724 176.117 -0.395 0.000 1.023 529 I CA 0.021 61.161 61.300 -0.267 0.000 1.350 529 I CB 1.065 38.897 38.000 -0.280 0.000 1.409 529 I HN 0.739 nan 8.210 nan 0.000 0.507 530 G N 3.363 111.949 108.800 -0.357 0.000 2.498 530 G HA2 0.334 4.294 3.960 0.000 0.000 0.181 530 G HA3 0.334 4.294 3.960 0.000 0.000 0.181 530 G C 0.355 175.159 174.900 -0.160 0.000 1.169 530 G CA 0.098 45.005 45.100 -0.323 0.000 0.992 530 G HN 0.561 nan 8.290 nan 0.000 0.490 531 A N 0.001 122.847 122.820 0.043 0.000 1.859 531 A HA 0.029 4.349 4.320 0.000 0.000 0.217 531 A C 1.285 178.857 177.584 -0.020 0.000 1.198 531 A CA 2.553 54.635 52.037 0.075 0.000 0.629 531 A CB -0.626 18.418 19.000 0.073 0.000 0.830 531 A HN 1.097 nan 8.150 nan 0.000 0.446 532 N N 0.133 118.814 118.700 -0.032 0.000 2.558 532 N HA 0.278 5.018 4.740 0.000 0.000 0.242 532 N C -1.271 174.201 175.510 -0.064 0.000 0.979 532 N CA -0.100 52.926 53.050 -0.040 0.000 0.931 532 N CB 0.488 38.959 38.487 -0.026 0.000 1.122 532 N HN 0.154 nan 8.380 nan 0.000 0.508 533 T N 3.886 118.397 114.554 -0.071 0.000 2.814 533 T HA 0.312 4.662 4.350 0.000 0.000 0.297 533 T C -0.187 174.470 174.700 -0.072 0.000 0.956 533 T CA -0.101 61.946 62.100 -0.088 0.000 1.123 533 T CB 0.293 69.131 68.868 -0.049 0.000 0.902 533 T HN 0.640 nan 8.240 nan 0.000 0.528 534 Q N 1.062 120.793 119.800 -0.115 0.000 2.647 534 Q HA 0.671 5.011 4.340 0.000 0.000 0.283 534 Q C -1.337 174.554 176.000 -0.181 0.000 0.943 534 Q CA -1.349 54.392 55.803 -0.103 0.000 0.813 534 Q CB 1.203 29.898 28.738 -0.071 0.000 1.477 534 Q HN 0.599 nan 8.270 nan 0.000 0.393 535 A N 0.825 123.554 122.820 -0.152 0.000 2.310 535 A HA 0.895 5.215 4.320 0.000 0.000 0.260 535 A C -0.116 177.287 177.584 -0.301 0.000 1.112 535 A CA 0.513 52.419 52.037 -0.218 0.000 0.804 535 A CB 0.426 19.381 19.000 -0.074 0.000 1.081 535 A HN 1.340 nan 8.150 nan 0.000 0.499 536 A N -0.889 121.666 122.820 -0.441 0.000 2.467 536 A HA 0.672 4.992 4.320 0.000 0.000 0.301 536 A C -1.089 176.298 177.584 -0.328 0.000 1.126 536 A CA -0.524 51.243 52.037 -0.450 0.000 0.632 536 A CB 0.591 19.167 19.000 -0.707 0.000 1.331 536 A HN 0.850 nan 8.150 nan 0.000 0.482 537 Q N -0.115 119.629 119.800 -0.094 0.000 2.501 537 Q HA 0.624 4.964 4.340 0.000 0.000 0.288 537 Q C -1.513 174.629 176.000 0.236 0.000 1.051 537 Q CA -1.024 54.827 55.803 0.081 0.000 0.788 537 Q CB 1.955 30.699 28.738 0.010 0.000 1.469 537 Q HN 0.614 nan 8.270 nan 0.000 0.416 538 K N 1.108 121.611 120.400 0.171 0.000 5.617 538 K HA -0.215 4.105 4.320 0.000 0.000 0.401 538 K C -1.197 175.522 176.600 0.198 0.000 0.978 538 K CA 0.044 56.421 56.287 0.149 0.000 1.200 538 K CB -0.891 31.665 32.500 0.092 0.000 1.863 538 K HN 0.377 nan 8.250 nan 0.000 0.382 539 L N 3.427 124.730 121.223 0.135 0.000 2.260 539 L HA 0.170 4.510 4.340 0.000 0.000 0.289 539 L C 0.669 177.520 176.870 -0.031 0.000 1.057 539 L CA 0.313 55.083 54.840 -0.118 0.000 0.811 539 L CB 0.735 42.470 42.059 -0.540 0.000 1.184 539 L HN 0.439 nan 8.230 nan 0.000 0.429 540 K N 2.265 122.665 120.400 -0.001 0.000 3.426 540 K HA -0.297 4.023 4.320 0.000 0.000 0.315 540 K C 1.176 177.822 176.600 0.077 0.000 1.293 540 K CA 1.291 57.603 56.287 0.041 0.000 0.955 540 K CB -1.360 31.157 32.500 0.028 0.000 1.238 540 K HN 0.957 nan 8.250 nan 0.000 0.441 541 D N 1.232 121.679 120.400 0.078 0.000 2.154 541 D HA -0.228 4.412 4.640 0.000 0.000 0.190 541 D C 1.725 178.079 176.300 0.091 0.000 1.003 541 D CA 2.171 56.223 54.000 0.087 0.000 0.849 541 D CB 0.102 40.950 40.800 0.080 0.000 0.942 541 D HN 0.583 nan 8.370 nan 0.000 0.446 542 K N 0.217 120.663 120.400 0.075 0.000 2.020 542 K HA -0.235 4.085 4.320 0.000 0.000 0.212 542 K C 2.130 178.799 176.600 0.115 0.000 1.050 542 K CA 1.863 58.190 56.287 0.067 0.000 0.929 542 K CB -0.029 32.485 32.500 0.023 0.000 0.714 542 K HN 0.002 nan 8.250 nan 0.000 0.443 543 E N 0.408 120.699 120.200 0.151 0.000 2.038 543 E HA -0.164 4.186 4.350 0.000 0.000 0.195 543 E C 1.999 178.847 176.600 0.413 0.000 1.000 543 E CA 1.472 58.061 56.400 0.315 0.000 0.803 543 E CB -0.355 29.569 29.700 0.374 0.000 0.750 543 E HN 0.111 nan 8.360 nan 0.000 0.448 544 V N 1.397 121.467 119.914 0.259 0.000 2.278 544 V HA -0.370 3.750 4.120 0.000 0.000 0.251 544 V C 2.267 178.472 176.094 0.184 0.000 1.062 544 V CA 2.075 64.493 62.300 0.196 0.000 1.038 544 V CB -1.104 30.782 31.823 0.104 0.000 0.646 544 V HN 0.393 nan 8.190 nan 0.000 0.447 545 A N -0.354 122.558 122.820 0.153 0.000 1.865 545 A HA -0.287 4.033 4.320 0.000 0.000 0.217 545 A C 2.129 179.781 177.584 0.113 0.000 1.191 545 A CA 2.288 54.395 52.037 0.115 0.000 0.623 545 A CB -0.811 18.249 19.000 0.100 0.000 0.826 545 A HN 0.574 nan 8.150 nan 0.000 0.444 546 F N -1.085 118.844 119.950 -0.035 0.000 2.171 546 F HA -0.153 4.374 4.527 0.000 0.000 0.300 546 F C 1.820 177.477 175.800 -0.240 0.000 1.090 546 F CA 1.535 59.430 58.000 -0.175 0.000 1.293 546 F CB -0.343 38.476 39.000 -0.302 0.000 1.013 546 F HN 0.398 nan 8.300 nan 0.000 0.486 547 W N -0.092 121.140 121.300 -0.115 0.000 2.494 547 W HA -0.008 4.652 4.660 0.000 0.000 0.286 547 W C 2.492 178.853 176.519 -0.263 0.000 1.218 547 W CA 1.278 58.425 57.345 -0.330 0.000 1.313 547 W CB -0.975 28.263 29.460 -0.369 0.000 1.105 547 W HN -0.286 nan 8.180 nan 0.000 0.561 548 T N 0.740 115.330 114.554 0.060 0.000 2.946 548 T HA -0.177 4.173 4.350 0.000 0.000 0.271 548 T C 1.107 175.833 174.700 0.043 0.000 1.104 548 T CA 1.588 63.719 62.100 0.052 0.000 1.114 548 T CB -0.298 68.599 68.868 0.048 0.000 0.867 548 T HN 0.110 nan 8.240 nan 0.000 0.513 549 N N 0.424 119.106 118.700 -0.030 0.000 2.319 549 N HA 0.171 4.911 4.740 0.000 0.000 0.189 549 N C 1.437 176.910 175.510 -0.062 0.000 1.042 549 N CA 0.161 53.179 53.050 -0.053 0.000 0.879 549 N CB -0.606 37.825 38.487 -0.094 0.000 1.052 549 N HN 0.079 nan 8.380 nan 0.000 0.446 550 L N -0.075 121.022 121.223 -0.210 0.000 2.189 550 L HA -0.037 4.303 4.340 0.000 0.000 0.214 550 L C 1.359 178.303 176.870 0.123 0.000 1.097 550 L CA 1.502 56.250 54.840 -0.153 0.000 0.764 550 L CB -0.441 41.350 42.059 -0.446 0.000 0.900 550 L HN 0.109 nan 8.230 nan 0.000 0.436 551 F N -0.559 119.361 119.950 -0.049 0.000 2.456 551 F HA 0.140 4.667 4.527 0.000 0.000 0.298 551 F C 2.243 178.038 175.800 -0.009 0.000 1.104 551 F CA 0.524 58.531 58.000 0.012 0.000 1.435 551 F CB -0.710 38.321 39.000 0.051 0.000 1.078 551 F HN 0.140 nan 8.300 nan 0.000 0.546 552 A N -0.213 122.693 122.820 0.144 0.000 2.359 552 A HA 0.186 4.506 4.320 0.000 0.000 0.240 552 A C 0.847 178.446 177.584 0.024 0.000 1.306 552 A CA -0.068 52.008 52.037 0.066 0.000 0.898 552 A CB -0.665 18.367 19.000 0.054 0.000 0.956 552 A HN 0.254 nan 8.150 nan 0.000 0.497 553 K N 0.000 120.408 120.400 0.013 0.000 2.780 553 K HA 0.000 4.320 4.320 0.000 0.000 0.191 553 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 553 K CB 0.000 32.493 32.500 -0.011 0.000 1.064 553 K HN 0.000 nan 8.250 nan 0.000 0.543