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 1fj4_1_D DATA FIRST_RESID 2 DATA SEQUENCE KRAVITGLGI VSSIGNNQQE VLASLREGRS GITFSQELKD SGMRSHVWGN DATA SEQUENCE VKLDTTGLID RKVVRFMSDA SIYAFLSMEQ AIADAGLSPE AYQNNPRVGL DATA SEQUENCE IAGSGGGSPR FQVFGADAMR GPRGLKAVGP YVVTKAMASG VSACLATPFK DATA SEQUENCE IHGVNYSISS ACATSAHCIG NAVEQIQLGK QDIVFAGGGE ELCWEMACEF DATA SEQUENCE DAMGALSTKY NDTPEKASRT YDAHRDGFVI AGGGGMVVVE ELEHALARGA DATA SEQUENCE HIYAEIVGYG ATSDGADMVA PSGEGAVRCM KMAMHGVDTP IDYLNSHGTS DATA SEQUENCE TPVGDVKELA AIREVFGDKS PAISATKAMT GHSLGAAGVQ EAIYSLLMLE DATA SEQUENCE HGFIAPSINI EELDEQAAGL NIVTETTDRE LTTVMSNSFG FGGTNATLVM DATA SEQUENCE RKL 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.603 176.600 0.005 0.000 0.988 2 K CA 0.000 56.290 56.287 0.005 0.000 0.838 2 K CB 0.000 32.505 32.500 0.008 0.000 1.064 3 R N 0.903 121.404 120.500 0.002 0.000 2.346 3 R HA 0.719 5.058 4.340 -0.001 0.000 0.311 3 R C -1.149 175.145 176.300 -0.010 0.000 0.983 3 R CA -0.304 55.795 56.100 -0.001 0.000 0.880 3 R CB 1.960 32.260 30.300 0.000 0.000 1.100 3 R HN 0.259 nan 8.270 nan 0.000 0.453 4 A N 2.740 125.551 122.820 -0.015 0.000 2.330 4 A HA 0.668 4.987 4.320 -0.001 0.000 0.327 4 A C -0.351 177.214 177.584 -0.032 0.000 1.155 4 A CA -0.661 51.357 52.037 -0.032 0.000 0.803 4 A CB 1.125 20.098 19.000 -0.045 0.000 1.208 4 A HN 0.535 nan 8.150 nan 0.000 0.477 5 V N -0.182 119.709 119.914 -0.038 0.000 3.040 5 V HA 0.703 4.823 4.120 -0.001 0.000 0.312 5 V C -0.769 175.303 176.094 -0.037 0.000 1.115 5 V CA -1.074 61.206 62.300 -0.033 0.000 0.998 5 V CB 1.813 33.617 31.823 -0.033 0.000 1.042 5 V HN 0.614 nan 8.190 nan 0.000 0.433 6 I N 3.051 123.613 120.570 -0.012 0.000 2.312 6 I HA 0.406 4.575 4.170 -0.001 0.000 0.290 6 I C 1.128 177.307 176.117 0.103 0.000 1.008 6 I CA 0.176 61.486 61.300 0.015 0.000 1.226 6 I CB 0.965 38.967 38.000 0.003 0.000 1.371 6 I HN 1.031 nan 8.210 nan 0.000 0.468 7 T N 1.322 115.921 114.554 0.076 0.000 3.129 7 T HA 0.549 4.899 4.350 -0.001 0.000 0.267 7 T C 0.498 175.319 174.700 0.202 0.000 1.018 7 T CA -0.395 61.757 62.100 0.087 0.000 0.903 7 T CB 0.252 69.125 68.868 0.008 0.000 1.067 7 T HN 0.796 nan 8.240 nan 0.000 0.549 8 G N 1.326 110.296 108.800 0.283 0.000 2.473 8 G HA2 0.512 4.471 3.960 -0.001 0.000 0.298 8 G HA3 0.512 4.471 3.960 -0.001 0.000 0.298 8 G C -2.017 172.946 174.900 0.105 0.000 1.575 8 G CA -0.925 44.344 45.100 0.283 0.000 0.846 8 G HN 0.677 nan 8.290 nan 0.000 0.585 9 L N -1.046 120.212 121.223 0.059 0.000 2.469 9 L HA 1.068 5.407 4.340 -0.001 0.000 0.256 9 L C 0.015 176.865 176.870 -0.033 0.000 1.006 9 L CA -0.818 53.980 54.840 -0.070 0.000 0.832 9 L CB 1.888 43.800 42.059 -0.246 0.000 1.421 9 L HN 1.315 nan 8.230 nan 0.000 0.410 10 G N 0.766 109.532 108.800 -0.057 0.000 2.706 10 G HA2 0.781 4.741 3.960 -0.001 0.000 0.297 10 G HA3 0.781 4.741 3.960 -0.001 0.000 0.297 10 G C -2.029 172.842 174.900 -0.048 0.000 1.403 10 G CA -0.675 44.401 45.100 -0.041 0.000 0.954 10 G HN 0.997 nan 8.290 nan 0.000 0.500 11 I N 0.821 121.375 120.570 -0.027 0.000 2.743 11 I HA 0.525 4.695 4.170 -0.001 0.000 0.292 11 I C -1.555 174.550 176.117 -0.019 0.000 1.343 11 I CA -0.874 60.407 61.300 -0.031 0.000 1.038 11 I CB 2.242 40.223 38.000 -0.031 0.000 1.311 11 I HN 0.338 nan 8.210 nan 0.000 0.426 12 V N 6.730 126.616 119.914 -0.045 0.000 2.380 12 V HA 0.590 4.710 4.120 -0.001 0.000 0.286 12 V C -0.177 175.820 176.094 -0.161 0.000 1.015 12 V CA -0.158 62.090 62.300 -0.086 0.000 0.834 12 V CB 1.275 33.046 31.823 -0.086 0.000 1.009 12 V HN 0.820 nan 8.190 nan 0.000 0.428 13 S N 2.454 118.089 115.700 -0.108 0.000 2.732 13 S HA 0.436 4.906 4.470 -0.001 0.000 0.293 13 S C 1.157 175.699 174.600 -0.095 0.000 1.159 13 S CA 0.116 58.255 58.200 -0.101 0.000 0.847 13 S CB 1.731 64.948 63.200 0.028 0.000 1.169 13 S HN 0.873 nan 8.310 nan 0.000 0.501 14 S N 0.306 115.959 115.700 -0.078 0.000 2.469 14 S HA -0.071 4.399 4.470 -0.001 0.000 0.238 14 S C 1.396 175.973 174.600 -0.038 0.000 0.998 14 S CA 1.065 59.227 58.200 -0.064 0.000 0.957 14 S CB -1.150 62.024 63.200 -0.043 0.000 0.764 14 S HN 1.054 nan 8.310 nan 0.000 0.514 15 I N -2.696 117.855 120.570 -0.031 0.000 3.974 15 I HA 0.679 4.849 4.170 -0.001 0.000 0.334 15 I C 0.515 176.614 176.117 -0.031 0.000 1.437 15 I CA -0.438 60.837 61.300 -0.043 0.000 1.113 15 I CB 0.365 38.311 38.000 -0.091 0.000 1.063 15 I HN 0.276 nan 8.210 nan 0.000 0.400 16 G N 0.997 109.786 108.800 -0.019 0.000 2.380 16 G HA2 0.053 4.013 3.960 -0.001 0.000 0.305 16 G HA3 0.053 4.013 3.960 -0.001 0.000 0.305 16 G C -0.803 174.090 174.900 -0.012 0.000 1.672 16 G CA -0.628 44.466 45.100 -0.011 0.000 0.904 16 G HN -0.020 nan 8.290 nan 0.000 0.686 17 N N 0.528 119.221 118.700 -0.011 0.000 2.336 17 N HA 0.072 4.812 4.740 -0.001 0.000 0.189 17 N C 0.616 176.129 175.510 0.005 0.000 1.113 17 N CA 0.683 53.727 53.050 -0.010 0.000 0.858 17 N CB 0.088 38.574 38.487 -0.002 0.000 0.970 17 N HN 0.857 nan 8.380 nan 0.000 0.471 18 N N -1.461 117.245 118.700 0.010 0.000 3.179 18 N HA -0.020 4.719 4.740 -0.001 0.000 0.250 18 N C 0.313 175.840 175.510 0.027 0.000 1.507 18 N CA -0.496 52.564 53.050 0.018 0.000 0.883 18 N CB 0.897 39.395 38.487 0.019 0.000 1.435 18 N HN -0.183 nan 8.380 nan 0.000 0.532 19 Q N -0.235 119.587 119.800 0.037 0.000 2.167 19 Q HA -0.246 4.094 4.340 -0.001 0.000 0.202 19 Q C 1.817 177.837 176.000 0.034 0.000 0.970 19 Q CA 2.202 58.037 55.803 0.053 0.000 0.855 19 Q CB -0.313 28.471 28.738 0.077 0.000 0.911 19 Q HN 0.733 nan 8.270 nan 0.000 0.438 20 Q N 1.077 120.887 119.800 0.016 0.000 2.119 20 Q HA -0.150 4.190 4.340 -0.001 0.000 0.201 20 Q C 1.594 177.575 176.000 -0.032 0.000 0.972 20 Q CA 1.870 57.663 55.803 -0.016 0.000 0.847 20 Q CB -0.111 28.620 28.738 -0.012 0.000 0.903 20 Q HN 0.579 nan 8.270 nan 0.000 0.433 21 E N 0.474 120.664 120.200 -0.016 0.000 2.028 21 E HA -0.110 4.240 4.350 -0.001 0.000 0.190 21 E C 2.217 178.801 176.600 -0.027 0.000 0.984 21 E CA 1.193 57.579 56.400 -0.024 0.000 0.800 21 E CB -0.091 29.601 29.700 -0.014 0.000 0.758 21 E HN 0.186 nan 8.360 nan 0.000 0.448 22 V N 2.256 122.170 119.914 -0.000 0.000 2.282 22 V HA -0.289 3.830 4.120 -0.001 0.000 0.249 22 V C 2.371 178.458 176.094 -0.012 0.000 1.057 22 V CA 1.586 63.894 62.300 0.013 0.000 1.032 22 V CB -0.442 31.446 31.823 0.109 0.000 0.645 22 V HN 0.359 nan 8.190 nan 0.000 0.447 23 L N -0.228 120.991 121.223 -0.008 0.000 2.042 23 L HA -0.229 4.111 4.340 -0.001 0.000 0.210 23 L C 2.514 179.303 176.870 -0.136 0.000 1.076 23 L CA 2.292 57.102 54.840 -0.051 0.000 0.749 23 L CB -0.630 41.344 42.059 -0.143 0.000 0.893 23 L HN 0.413 nan 8.230 nan 0.000 0.432 24 A N -1.389 121.355 122.820 -0.125 0.000 1.930 24 A HA -0.160 4.160 4.320 -0.001 0.000 0.217 24 A C 2.372 179.883 177.584 -0.121 0.000 1.175 24 A CA 1.789 53.744 52.037 -0.137 0.000 0.627 24 A CB -0.457 18.483 19.000 -0.100 0.000 0.815 24 A HN 0.506 nan 8.150 nan 0.000 0.443 25 S N -0.180 115.464 115.700 -0.094 0.000 2.357 25 S HA -0.023 4.447 4.470 -0.001 0.000 0.221 25 S C 1.839 176.382 174.600 -0.095 0.000 1.031 25 S CA 1.165 59.312 58.200 -0.089 0.000 0.982 25 S CB -0.421 62.727 63.200 -0.087 0.000 0.853 25 S HN 0.512 nan 8.310 nan 0.000 0.458 26 L N 1.111 122.280 121.223 -0.089 0.000 2.042 26 L HA -0.152 4.188 4.340 -0.001 0.000 0.210 26 L C 2.769 179.645 176.870 0.009 0.000 1.076 26 L CA 1.330 56.158 54.840 -0.020 0.000 0.749 26 L CB -0.443 41.693 42.059 0.128 0.000 0.893 26 L HN 0.246 nan 8.230 nan 0.000 0.432 27 R N -0.593 119.804 120.500 -0.171 0.000 2.090 27 R HA -0.101 4.239 4.340 -0.001 0.000 0.228 27 R C 2.047 178.250 176.300 -0.161 0.000 1.110 27 R CA 0.711 56.621 56.100 -0.318 0.000 0.973 27 R CB -0.127 29.863 30.300 -0.516 0.000 0.869 27 R HN 0.307 nan 8.270 nan 0.000 0.440 28 E N -0.203 119.923 120.200 -0.123 0.000 2.358 28 E HA -0.037 4.313 4.350 -0.001 0.000 0.195 28 E C 0.869 177.436 176.600 -0.054 0.000 1.010 28 E CA 0.689 57.039 56.400 -0.083 0.000 0.856 28 E CB 0.183 29.838 29.700 -0.075 0.000 0.795 28 E HN 0.529 nan 8.360 nan 0.000 0.504 29 G N 2.390 111.162 108.800 -0.048 0.000 2.176 29 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.252 29 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.252 29 G C 0.302 175.180 174.900 -0.038 0.000 1.024 29 G CA 0.617 45.698 45.100 -0.032 0.000 0.755 29 G HN 0.286 nan 8.290 nan 0.000 0.507 30 R N 0.511 120.982 120.500 -0.048 0.000 2.316 30 R HA 0.469 4.809 4.340 -0.001 0.000 0.314 30 R C 0.780 177.055 176.300 -0.041 0.000 1.069 30 R CA 0.367 56.443 56.100 -0.041 0.000 0.959 30 R CB 0.449 30.723 30.300 -0.044 0.000 0.987 30 R HN 0.288 nan 8.270 nan 0.000 0.446 31 S N 2.371 118.056 115.700 -0.024 0.000 2.564 31 S HA 0.205 4.675 4.470 -0.001 0.000 0.278 31 S C 0.904 175.501 174.600 -0.004 0.000 1.333 31 S CA -0.085 58.106 58.200 -0.015 0.000 1.048 31 S CB 1.121 64.321 63.200 0.001 0.000 0.900 31 S HN 0.798 nan 8.310 nan 0.000 0.505 32 G N 4.063 112.862 108.800 -0.002 0.000 3.393 32 G HA2 0.246 4.206 3.960 -0.001 0.000 0.255 32 G HA3 0.246 4.206 3.960 -0.001 0.000 0.255 32 G C 0.094 175.020 174.900 0.044 0.000 1.097 32 G CA -0.291 44.814 45.100 0.008 0.000 0.780 32 G HN 0.618 nan 8.290 nan 0.000 0.540 33 I N 2.608 123.214 120.570 0.061 0.000 2.428 33 I HA 0.388 4.557 4.170 -0.001 0.000 0.289 33 I C 0.634 176.833 176.117 0.137 0.000 1.019 33 I CA -0.313 61.051 61.300 0.107 0.000 1.351 33 I CB 0.492 38.549 38.000 0.096 0.000 1.412 33 I HN 0.079 nan 8.210 nan 0.000 0.513 34 T N 2.578 117.251 114.554 0.198 0.000 2.865 34 T HA 0.551 4.900 4.350 -0.001 0.000 0.294 34 T C -0.573 174.280 174.700 0.255 0.000 1.119 34 T CA -0.751 61.484 62.100 0.225 0.000 1.007 34 T CB 1.839 70.849 68.868 0.235 0.000 1.225 34 T HN 0.243 nan 8.240 nan 0.000 0.515 35 F N 1.411 121.425 119.950 0.107 0.000 2.429 35 F HA 0.580 5.106 4.527 -0.001 0.000 0.348 35 F C 0.424 176.215 175.800 -0.016 0.000 1.109 35 F CA -0.189 57.842 58.000 0.051 0.000 1.232 35 F CB 1.045 40.066 39.000 0.036 0.000 1.157 35 F HN 0.655 nan 8.300 nan 0.000 0.564 36 S N 4.880 119.879 115.700 -1.167 0.000 2.594 36 S HA 0.166 4.636 4.470 -0.001 0.000 0.322 36 S C 0.582 174.386 174.600 -1.327 0.000 1.085 36 S CA -0.673 56.784 58.200 -1.239 0.000 1.116 36 S CB 1.123 63.279 63.200 -1.740 0.000 0.979 36 S HN 0.902 nan 8.310 nan 0.000 0.465 37 Q N 3.383 122.717 119.800 -0.775 0.000 2.170 37 Q HA -0.111 4.229 4.340 -0.001 0.000 0.203 37 Q C 1.765 177.529 176.000 -0.394 0.000 0.976 37 Q CA 2.243 57.825 55.803 -0.369 0.000 0.858 37 Q CB -0.148 28.581 28.738 -0.015 0.000 0.907 37 Q HN 0.902 nan 8.270 nan 0.000 0.433 38 E N -0.631 119.300 120.200 -0.448 0.000 2.110 38 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 38 E C 1.746 178.152 176.600 -0.322 0.000 0.988 38 E CA 1.075 57.298 56.400 -0.296 0.000 0.804 38 E CB -0.120 29.498 29.700 -0.137 0.000 0.745 38 E HN 0.467 nan 8.360 nan 0.000 0.458 39 L N 0.528 121.439 121.223 -0.520 0.000 2.109 39 L HA -0.100 4.240 4.340 -0.001 0.000 0.207 39 L C 2.810 179.513 176.870 -0.278 0.000 1.086 39 L CA 1.041 55.691 54.840 -0.317 0.000 0.760 39 L CB -0.382 41.441 42.059 -0.394 0.000 0.910 39 L HN 0.129 nan 8.230 nan 0.000 0.437 40 K N 0.297 120.394 120.400 -0.505 0.000 2.057 40 K HA -0.187 4.133 4.320 -0.001 0.000 0.206 40 K C 1.600 177.974 176.600 -0.375 0.000 1.050 40 K CA 1.641 57.512 56.287 -0.693 0.000 0.935 40 K CB 0.082 32.102 32.500 -0.799 0.000 0.715 40 K HN 0.176 nan 8.250 nan 0.000 0.439 41 D N 0.252 120.465 120.400 -0.311 0.000 2.144 41 D HA -0.130 4.510 4.640 -0.001 0.000 0.199 41 D C 1.941 178.064 176.300 -0.296 0.000 0.984 41 D CA 1.551 55.398 54.000 -0.255 0.000 0.834 41 D CB -0.204 40.459 40.800 -0.227 0.000 0.955 41 D HN 0.305 nan 8.370 nan 0.000 0.465 42 S N -0.894 114.596 115.700 -0.350 0.000 2.419 42 S HA 0.028 4.498 4.470 -0.001 0.000 0.233 42 S C 1.838 176.289 174.600 -0.248 0.000 1.016 42 S CA 1.091 59.015 58.200 -0.460 0.000 0.974 42 S CB -0.087 62.884 63.200 -0.381 0.000 0.786 42 S HN 0.371 nan 8.310 nan 0.000 0.492 43 G N 0.456 109.166 108.800 -0.150 0.000 2.154 43 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.186 43 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.186 43 G C -0.050 174.862 174.900 0.019 0.000 1.000 43 G CA -0.089 44.971 45.100 -0.067 0.000 0.664 43 G HN 0.435 nan 8.290 nan 0.000 0.513 44 M N -0.337 119.294 119.600 0.053 0.000 2.202 44 M HA 0.418 4.898 4.480 -0.001 0.000 0.316 44 M C 1.841 178.256 176.300 0.191 0.000 1.138 44 M CA -0.054 55.315 55.300 0.114 0.000 1.151 44 M CB 0.565 33.237 32.600 0.120 0.000 1.422 44 M HN 0.152 nan 8.290 nan 0.000 0.471 45 R N -0.389 120.149 120.500 0.064 0.000 2.210 45 R HA 0.105 4.445 4.340 -0.001 0.000 0.203 45 R C 0.393 176.502 176.300 -0.317 0.000 1.010 45 R CA 0.252 56.313 56.100 -0.065 0.000 1.008 45 R CB 0.186 30.456 30.300 -0.050 0.000 0.923 45 R HN 0.522 nan 8.270 nan 0.000 0.469 46 S N 0.429 116.038 115.700 -0.151 0.000 2.438 46 S HA 0.161 4.630 4.470 -0.001 0.000 0.293 46 S C -0.194 174.367 174.600 -0.065 0.000 1.141 46 S CA -0.635 57.465 58.200 -0.168 0.000 1.080 46 S CB 0.336 63.492 63.200 -0.074 0.000 0.978 46 S HN 0.340 nan 8.310 nan 0.000 0.479 47 H N 2.613 121.617 119.070 -0.110 0.000 2.512 47 H HA 0.304 4.859 4.556 -0.001 0.000 0.276 47 H C -0.077 175.041 175.328 -0.350 0.000 1.126 47 H CA -0.634 55.233 56.048 -0.302 0.000 1.060 47 H CB 0.461 30.079 29.762 -0.239 0.000 1.646 47 H HN 0.428 nan 8.280 nan 0.000 0.571 48 V N -2.047 117.829 119.914 -0.064 0.000 2.581 48 V HA 0.416 4.536 4.120 -0.001 0.000 0.303 48 V C -0.791 175.378 176.094 0.125 0.000 1.041 48 V CA -0.906 61.411 62.300 0.029 0.000 0.907 48 V CB 1.996 33.884 31.823 0.109 0.000 0.994 48 V HN 0.181 nan 8.190 nan 0.000 0.442 49 W N 1.888 123.196 121.300 0.013 0.000 2.781 49 W HA 0.818 5.478 4.660 -0.001 0.000 0.345 49 W C 0.445 176.983 176.519 0.032 0.000 1.085 49 W CA -1.046 56.310 57.345 0.019 0.000 1.198 49 W CB 2.546 32.010 29.460 0.006 0.000 1.423 49 W HN 0.923 nan 8.180 nan 0.000 0.532 50 G N 3.466 112.381 108.800 0.191 0.000 4.928 50 G HA2 0.124 4.084 3.960 -0.001 0.000 0.321 50 G HA3 0.124 4.084 3.960 -0.001 0.000 0.321 50 G C -0.322 174.502 174.900 -0.126 0.000 1.455 50 G CA -0.561 44.567 45.100 0.046 0.000 1.081 50 G HN 0.346 nan 8.290 nan 0.000 0.569 51 N N -0.167 118.434 118.700 -0.164 0.000 2.483 51 N HA 0.246 4.985 4.740 -0.001 0.000 0.269 51 N C -0.472 174.908 175.510 -0.216 0.000 1.209 51 N CA -0.518 52.326 53.050 -0.343 0.000 0.969 51 N CB 1.887 40.141 38.487 -0.387 0.000 1.173 51 N HN -0.121 nan 8.380 nan 0.000 0.475 52 V N 1.357 121.116 119.914 -0.259 0.000 2.385 52 V HA 0.113 4.233 4.120 -0.001 0.000 0.269 52 V C 0.487 176.521 176.094 -0.100 0.000 1.043 52 V CA -0.730 61.441 62.300 -0.215 0.000 0.906 52 V CB 0.453 32.048 31.823 -0.381 0.000 0.995 52 V HN 0.615 nan 8.190 nan 0.000 0.467 53 K N 6.442 126.808 120.400 -0.057 0.000 2.180 53 K HA 0.534 4.854 4.320 -0.001 0.000 0.250 53 K C -0.926 175.674 176.600 0.001 0.000 1.135 53 K CA -0.372 55.910 56.287 -0.010 0.000 1.037 53 K CB 0.732 33.236 32.500 0.006 0.000 1.624 53 K HN 0.447 nan 8.250 nan 0.000 0.382 54 L N 0.595 121.827 121.223 0.015 0.000 2.705 54 L HA 0.254 4.594 4.340 -0.001 0.000 0.260 54 L C -2.012 174.890 176.870 0.053 0.000 0.921 54 L CA -0.453 54.406 54.840 0.032 0.000 0.948 54 L CB 2.171 44.249 42.059 0.030 0.000 1.427 54 L HN 0.292 nan 8.230 nan 0.000 0.432 55 D N 2.095 122.522 120.400 0.046 0.000 2.339 55 D HA 0.309 4.948 4.640 -0.001 0.000 0.241 55 D C 1.064 177.392 176.300 0.045 0.000 1.183 55 D CA 0.545 54.572 54.000 0.044 0.000 0.859 55 D CB 1.565 42.385 40.800 0.033 0.000 1.067 55 D HN 0.715 nan 8.370 nan 0.000 0.484 56 T N -0.061 114.523 114.554 0.051 0.000 3.067 56 T HA -0.082 4.267 4.350 -0.001 0.000 0.261 56 T C 1.763 176.467 174.700 0.006 0.000 1.110 56 T CA 0.750 62.875 62.100 0.042 0.000 1.113 56 T CB -0.401 68.496 68.868 0.049 0.000 0.917 56 T HN 0.355 nan 8.240 nan 0.000 0.499 57 T N 1.930 116.483 114.554 -0.001 0.000 2.674 57 T HA -0.241 4.109 4.350 -0.001 0.000 0.244 57 T C 1.628 176.309 174.700 -0.032 0.000 1.199 57 T CA 2.295 64.384 62.100 -0.018 0.000 1.119 57 T CB -1.075 67.789 68.868 -0.007 0.000 0.825 57 T HN 0.708 nan 8.240 nan 0.000 0.476 58 G N -0.917 107.872 108.800 -0.019 0.000 3.651 58 G HA2 0.396 4.356 3.960 -0.001 0.000 0.279 58 G HA3 0.396 4.356 3.960 -0.001 0.000 0.279 58 G C 0.828 175.716 174.900 -0.020 0.000 1.024 58 G CA -0.259 44.825 45.100 -0.027 0.000 0.813 58 G HN 0.304 nan 8.290 nan 0.000 0.518 59 L N 0.669 121.886 121.223 -0.010 0.000 2.376 59 L HA 0.376 4.716 4.340 -0.001 0.000 0.219 59 L C 0.895 177.768 176.870 0.005 0.000 1.133 59 L CA 0.767 55.618 54.840 0.019 0.000 0.816 59 L CB -0.429 41.661 42.059 0.051 0.000 0.933 59 L HN 0.192 nan 8.230 nan 0.000 0.449 60 I N -1.730 118.792 120.570 -0.081 0.000 2.730 60 I HA 0.201 4.371 4.170 -0.001 0.000 0.298 60 I C -0.428 175.578 176.117 -0.185 0.000 1.089 60 I CA -1.132 60.054 61.300 -0.189 0.000 1.041 60 I CB 1.990 39.728 38.000 -0.436 0.000 1.235 60 I HN -0.254 nan 8.210 nan 0.000 0.423 61 D N 3.391 123.681 120.400 -0.183 0.000 2.493 61 D HA 0.007 4.647 4.640 -0.001 0.000 0.240 61 D C 1.349 177.545 176.300 -0.174 0.000 1.142 61 D CA 0.335 54.251 54.000 -0.141 0.000 0.872 61 D CB 1.033 41.768 40.800 -0.109 0.000 1.173 61 D HN 0.406 nan 8.370 nan 0.000 0.467 62 R N 3.169 123.583 120.500 -0.144 0.000 2.119 62 R HA -0.220 4.120 4.340 -0.001 0.000 0.246 62 R C 1.191 177.372 176.300 -0.199 0.000 1.146 62 R CA 1.357 57.355 56.100 -0.170 0.000 0.962 62 R CB 0.111 30.331 30.300 -0.133 0.000 0.863 62 R HN 0.397 nan 8.270 nan 0.000 0.442 63 K N 0.307 120.626 120.400 -0.135 0.000 2.209 63 K HA -0.099 4.221 4.320 -0.001 0.000 0.204 63 K C 2.062 178.639 176.600 -0.038 0.000 1.048 63 K CA 1.422 57.653 56.287 -0.092 0.000 0.940 63 K CB -0.158 32.333 32.500 -0.016 0.000 0.729 63 K HN 0.331 nan 8.250 nan 0.000 0.451 64 V N -1.846 118.015 119.914 -0.089 0.000 2.492 64 V HA -0.002 4.118 4.120 -0.001 0.000 0.241 64 V C 2.013 178.020 176.094 -0.144 0.000 1.041 64 V CA 0.836 63.099 62.300 -0.062 0.000 1.057 64 V CB -0.287 31.415 31.823 -0.201 0.000 0.711 64 V HN -0.025 nan 8.190 nan 0.000 0.468 65 V N 2.851 122.595 119.914 -0.284 0.000 2.720 65 V HA -0.176 3.943 4.120 -0.001 0.000 0.256 65 V C 2.974 178.855 176.094 -0.355 0.000 1.082 65 V CA 2.335 64.445 62.300 -0.317 0.000 1.101 65 V CB -0.864 30.773 31.823 -0.309 0.000 0.693 65 V HN 0.845 nan 8.190 nan 0.000 0.479 66 R N -1.480 118.729 120.500 -0.485 0.000 2.285 66 R HA -0.079 4.260 4.340 -0.001 0.000 0.213 66 R C 1.635 177.364 176.300 -0.951 0.000 1.068 66 R CA 1.695 57.298 56.100 -0.829 0.000 1.004 66 R CB -0.493 29.102 30.300 -1.174 0.000 0.873 66 R HN 0.494 nan 8.270 nan 0.000 0.467 67 F N 1.025 120.734 119.950 -0.402 0.000 2.717 67 F HA 0.357 4.884 4.527 -0.001 0.000 0.295 67 F C 0.980 176.629 175.800 -0.252 0.000 1.117 67 F CA -0.324 57.533 58.000 -0.237 0.000 1.361 67 F CB 0.191 39.118 39.000 -0.120 0.000 1.112 67 F HN -0.117 nan 8.300 nan 0.000 0.594 68 M N -0.003 119.512 119.600 -0.141 0.000 2.291 68 M HA 0.395 4.875 4.480 -0.001 0.000 0.324 68 M C 0.442 176.545 176.300 -0.327 0.000 1.148 68 M CA -0.521 54.665 55.300 -0.189 0.000 1.104 68 M CB 1.170 33.665 32.600 -0.175 0.000 1.483 68 M HN 0.006 nan 8.290 nan 0.000 0.467 69 S N -0.794 114.753 115.700 -0.254 0.000 2.766 69 S HA 0.367 4.837 4.470 -0.001 0.000 0.307 69 S C 0.203 174.718 174.600 -0.143 0.000 1.121 69 S CA -0.759 57.318 58.200 -0.205 0.000 0.980 69 S CB 1.364 64.528 63.200 -0.059 0.000 1.159 69 S HN 0.668 nan 8.310 nan 0.000 0.546 70 D N 1.173 121.503 120.400 -0.117 0.000 2.133 70 D HA -0.051 4.589 4.640 -0.001 0.000 0.195 70 D C 2.190 178.190 176.300 -0.500 0.000 0.997 70 D CA 1.990 55.742 54.000 -0.413 0.000 0.840 70 D CB -0.855 39.711 40.800 -0.389 0.000 0.947 70 D HN 0.684 nan 8.370 nan 0.000 0.452 71 A N 0.240 122.961 122.820 -0.165 0.000 1.908 71 A HA -0.187 4.133 4.320 -0.001 0.000 0.218 71 A C 2.435 180.026 177.584 0.011 0.000 1.181 71 A CA 2.021 54.055 52.037 -0.005 0.000 0.627 71 A CB -0.620 18.412 19.000 0.053 0.000 0.818 71 A HN 0.177 nan 8.150 nan 0.000 0.445 72 S N -0.441 115.244 115.700 -0.025 0.000 2.368 72 S HA -0.055 4.415 4.470 -0.001 0.000 0.224 72 S C 1.809 176.438 174.600 0.048 0.000 1.029 72 S CA 1.271 59.486 58.200 0.024 0.000 0.988 72 S CB -0.435 62.760 63.200 -0.009 0.000 0.838 72 S HN 0.541 nan 8.310 nan 0.000 0.462 73 I N 0.341 120.864 120.570 -0.079 0.000 2.179 73 I HA -0.207 3.962 4.170 -0.001 0.000 0.242 73 I C 2.026 178.216 176.117 0.121 0.000 1.088 73 I CA 1.304 62.568 61.300 -0.059 0.000 1.357 73 I CB -0.424 37.442 38.000 -0.222 0.000 1.051 73 I HN 0.273 nan 8.210 nan 0.000 0.409 74 Y N 0.871 121.213 120.300 0.071 0.000 2.181 74 Y HA -0.190 4.360 4.550 -0.001 0.000 0.288 74 Y C 2.666 178.610 175.900 0.073 0.000 1.146 74 Y CA 0.814 58.949 58.100 0.058 0.000 1.164 74 Y CB -1.274 37.199 38.460 0.022 0.000 0.982 74 Y HN 0.132 nan 8.280 nan 0.000 0.515 75 A N -0.697 122.268 122.820 0.241 0.000 1.929 75 A HA -0.164 4.156 4.320 -0.001 0.000 0.216 75 A C 2.167 179.846 177.584 0.158 0.000 1.176 75 A CA 1.112 53.240 52.037 0.152 0.000 0.628 75 A CB -1.280 17.791 19.000 0.119 0.000 0.816 75 A HN 0.412 nan 8.150 nan 0.000 0.444 76 F N 0.717 120.722 119.950 0.092 0.000 2.134 76 F HA -0.125 4.401 4.527 -0.001 0.000 0.299 76 F C 1.845 177.732 175.800 0.146 0.000 1.097 76 F CA 1.663 59.752 58.000 0.149 0.000 1.264 76 F CB -0.198 38.859 39.000 0.096 0.000 1.001 76 F HN 0.133 nan 8.300 nan 0.000 0.479 77 L N -0.844 120.592 121.223 0.354 0.000 2.093 77 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 77 L C 2.488 179.395 176.870 0.061 0.000 1.085 77 L CA 1.267 56.243 54.840 0.227 0.000 0.755 77 L CB -0.877 41.323 42.059 0.235 0.000 0.904 77 L HN 0.062 nan 8.230 nan 0.000 0.435 78 S N -0.350 115.376 115.700 0.043 0.000 2.383 78 S HA -0.193 4.276 4.470 -0.001 0.000 0.227 78 S C 1.917 176.450 174.600 -0.111 0.000 1.026 78 S CA 1.415 59.602 58.200 -0.021 0.000 0.981 78 S CB -0.171 63.024 63.200 -0.009 0.000 0.818 78 S HN 0.353 nan 8.310 nan 0.000 0.472 79 M N 1.438 120.914 119.600 -0.207 0.000 2.132 79 M HA -0.087 4.393 4.480 -0.001 0.000 0.263 79 M C 1.989 177.983 176.300 -0.509 0.000 1.065 79 M CA 1.409 56.436 55.300 -0.456 0.000 1.122 79 M CB -0.144 32.012 32.600 -0.740 0.000 1.365 79 M HN 0.216 nan 8.290 nan 0.000 0.411 80 E N -0.028 119.968 120.200 -0.340 0.000 2.058 80 E HA -0.277 4.073 4.350 -0.001 0.000 0.194 80 E C 2.017 178.540 176.600 -0.128 0.000 0.997 80 E CA 1.819 58.111 56.400 -0.180 0.000 0.801 80 E CB -0.222 29.455 29.700 -0.038 0.000 0.746 80 E HN 0.697 nan 8.360 nan 0.000 0.450 81 Q N -0.075 119.673 119.800 -0.087 0.000 2.124 81 Q HA -0.130 4.209 4.340 -0.001 0.000 0.202 81 Q C 2.160 178.135 176.000 -0.042 0.000 0.977 81 Q CA 1.287 57.066 55.803 -0.040 0.000 0.850 81 Q CB -0.122 28.606 28.738 -0.017 0.000 0.901 81 Q HN 0.213 nan 8.270 nan 0.000 0.429 82 A N 0.709 123.479 122.820 -0.083 0.000 1.929 82 A HA -0.121 4.199 4.320 -0.001 0.000 0.216 82 A C 2.026 179.593 177.584 -0.028 0.000 1.176 82 A CA 0.835 52.852 52.037 -0.034 0.000 0.628 82 A CB -0.457 18.527 19.000 -0.028 0.000 0.816 82 A HN 0.258 nan 8.150 nan 0.000 0.444 83 I N -0.124 120.351 120.570 -0.158 0.000 2.142 83 I HA -0.295 3.875 4.170 -0.001 0.000 0.240 83 I C 2.978 179.058 176.117 -0.062 0.000 1.078 83 I CA 1.230 62.420 61.300 -0.183 0.000 1.343 83 I CB -0.245 37.486 38.000 -0.449 0.000 1.046 83 I HN 0.344 nan 8.210 nan 0.000 0.405 84 A N -0.005 122.789 122.820 -0.044 0.000 1.902 84 A HA -0.300 4.019 4.320 -0.001 0.000 0.217 84 A C 2.004 179.603 177.584 0.025 0.000 1.181 84 A CA 2.308 54.348 52.037 0.005 0.000 0.623 84 A CB -0.728 18.278 19.000 0.009 0.000 0.818 84 A HN 0.463 nan 8.150 nan 0.000 0.443 85 D N -0.098 120.324 120.400 0.037 0.000 2.117 85 D HA -0.029 4.611 4.640 -0.001 0.000 0.197 85 D C 1.950 178.308 176.300 0.096 0.000 0.987 85 D CA 1.602 55.651 54.000 0.083 0.000 0.829 85 D CB -0.242 40.636 40.800 0.131 0.000 0.961 85 D HN 0.325 nan 8.370 nan 0.000 0.460 86 A N -0.712 122.160 122.820 0.086 0.000 2.121 86 A HA 0.297 4.616 4.320 -0.001 0.000 0.218 86 A C 1.870 179.487 177.584 0.055 0.000 1.154 86 A CA 1.405 53.490 52.037 0.079 0.000 0.679 86 A CB -0.689 18.344 19.000 0.055 0.000 0.795 86 A HN 0.554 nan 8.150 nan 0.000 0.458 87 G N -1.868 106.960 108.800 0.046 0.000 2.160 87 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.244 87 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.244 87 G C -0.217 174.720 174.900 0.060 0.000 1.022 87 G CA 0.172 45.298 45.100 0.043 0.000 0.741 87 G HN 0.350 nan 8.290 nan 0.000 0.508 88 L N 1.927 123.192 121.223 0.070 0.000 2.313 88 L HA 0.584 4.923 4.340 -0.001 0.000 0.282 88 L C 1.182 178.178 176.870 0.210 0.000 1.092 88 L CA -0.092 54.824 54.840 0.127 0.000 0.831 88 L CB 1.071 43.183 42.059 0.090 0.000 1.159 88 L HN 0.556 nan 8.230 nan 0.000 0.442 89 S N 4.887 120.724 115.700 0.229 0.000 2.554 89 S HA 0.504 4.974 4.470 -0.001 0.000 0.278 89 S C -1.793 172.964 174.600 0.261 0.000 1.242 89 S CA -1.151 57.179 58.200 0.217 0.000 1.051 89 S CB 1.423 64.691 63.200 0.112 0.000 0.986 89 S HN 0.453 nan 8.310 nan 0.000 0.502 90 P HA -0.243 nan 4.420 nan 0.000 0.216 90 P C 1.513 178.649 177.300 -0.273 0.000 1.167 90 P CA 1.769 64.726 63.100 -0.238 0.000 0.914 90 P CB -0.096 31.540 31.700 -0.107 0.000 0.793 91 E N -0.309 119.831 120.200 -0.101 0.000 2.219 91 E HA -0.217 4.132 4.350 -0.001 0.000 0.198 91 E C 1.889 178.457 176.600 -0.053 0.000 0.998 91 E CA 1.778 58.131 56.400 -0.078 0.000 0.818 91 E CB -1.170 28.513 29.700 -0.029 0.000 0.741 91 E HN 0.259 nan 8.360 nan 0.000 0.477 92 A N 1.469 124.294 122.820 0.008 0.000 1.855 92 A HA -0.101 4.218 4.320 -0.001 0.000 0.213 92 A C 2.115 179.761 177.584 0.104 0.000 1.195 92 A CA 1.288 53.375 52.037 0.083 0.000 0.610 92 A CB -0.800 18.294 19.000 0.156 0.000 0.837 92 A HN 0.460 nan 8.150 nan 0.000 0.444 93 Y N -0.698 119.640 120.300 0.064 0.000 2.510 93 Y HA 0.383 4.933 4.550 -0.001 0.000 0.273 93 Y C 0.927 176.858 175.900 0.052 0.000 1.119 93 Y CA -0.278 57.872 58.100 0.082 0.000 1.286 93 Y CB -0.276 38.297 38.460 0.188 0.000 1.061 93 Y HN 0.235 nan 8.280 nan 0.000 0.542 94 Q N 2.171 121.609 119.800 -0.604 0.000 2.340 94 Q HA 0.116 4.455 4.340 -0.001 0.000 0.249 94 Q C -0.059 175.741 176.000 -0.334 0.000 0.957 94 Q CA -0.199 55.323 55.803 -0.469 0.000 0.882 94 Q CB 0.386 28.815 28.738 -0.515 0.000 1.235 94 Q HN 0.468 nan 8.270 nan 0.000 0.439 95 N N 1.782 120.188 118.700 -0.489 0.000 2.710 95 N HA -0.218 4.521 4.740 -0.001 0.000 0.249 95 N C -0.942 174.292 175.510 -0.460 0.000 1.059 95 N CA 0.502 52.992 53.050 -0.933 0.000 0.720 95 N CB -0.813 37.345 38.487 -0.549 0.000 0.983 95 N HN 0.530 nan 8.380 nan 0.000 0.544 96 N N 0.815 119.385 118.700 -0.217 0.000 2.518 96 N HA 0.223 4.962 4.740 -0.001 0.000 0.254 96 N C -1.465 174.079 175.510 0.056 0.000 0.979 96 N CA -1.963 51.064 53.050 -0.039 0.000 0.930 96 N CB 1.296 39.775 38.487 -0.014 0.000 1.152 96 N HN -0.062 nan 8.380 nan 0.000 0.505 97 P HA -0.115 nan 4.420 nan 0.000 0.223 97 P C 0.451 177.777 177.300 0.043 0.000 1.144 97 P CA 0.978 64.138 63.100 0.100 0.000 0.783 97 P CB 0.463 32.211 31.700 0.080 0.000 0.771 98 R N -0.509 119.997 120.500 0.010 0.000 2.334 98 R HA 0.220 4.560 4.340 -0.001 0.000 0.220 98 R C 0.193 176.452 176.300 -0.068 0.000 0.917 98 R CA 0.048 56.126 56.100 -0.038 0.000 1.073 98 R CB 0.244 30.505 30.300 -0.065 0.000 1.056 98 R HN 0.147 nan 8.270 nan 0.000 0.506 99 V N 0.506 120.410 119.914 -0.017 0.000 2.409 99 V HA 0.605 4.725 4.120 -0.001 0.000 0.291 99 V C 0.446 176.563 176.094 0.039 0.000 1.020 99 V CA -0.764 61.529 62.300 -0.012 0.000 0.848 99 V CB 1.688 33.562 31.823 0.084 0.000 0.990 99 V HN 0.284 nan 8.190 nan 0.000 0.430 100 G N 3.664 112.455 108.800 -0.014 0.000 3.042 100 G HA2 0.778 4.738 3.960 -0.001 0.000 0.278 100 G HA3 0.778 4.738 3.960 -0.001 0.000 0.278 100 G C -1.691 173.236 174.900 0.046 0.000 1.371 100 G CA -0.638 44.463 45.100 0.001 0.000 1.009 100 G HN 0.548 nan 8.290 nan 0.000 0.523 101 L N 0.478 121.691 121.223 -0.016 0.000 2.476 101 L HA 0.616 4.956 4.340 -0.001 0.000 0.269 101 L C -1.501 175.288 176.870 -0.134 0.000 0.965 101 L CA -0.571 54.273 54.840 0.007 0.000 0.845 101 L CB 1.413 43.507 42.059 0.058 0.000 1.259 101 L HN 0.495 nan 8.230 nan 0.000 0.403 102 I N 5.099 125.600 120.570 -0.114 0.000 2.466 102 I HA 0.614 4.784 4.170 -0.001 0.000 0.279 102 I C -0.303 175.798 176.117 -0.026 0.000 1.033 102 I CA -0.210 61.008 61.300 -0.137 0.000 1.123 102 I CB 1.740 39.648 38.000 -0.154 0.000 1.237 102 I HN 0.708 nan 8.210 nan 0.000 0.460 103 A N 4.214 127.041 122.820 0.012 0.000 2.549 103 A HA 0.988 5.308 4.320 -0.001 0.000 0.297 103 A C -0.588 177.033 177.584 0.061 0.000 1.061 103 A CA -0.438 51.619 52.037 0.033 0.000 0.690 103 A CB 1.951 20.967 19.000 0.026 0.000 1.287 103 A HN 0.725 nan 8.150 nan 0.000 0.402 104 G N -0.433 108.405 108.800 0.063 0.000 2.682 104 G HA2 0.809 4.769 3.960 -0.001 0.000 0.303 104 G HA3 0.809 4.769 3.960 -0.001 0.000 0.303 104 G C -0.572 174.368 174.900 0.068 0.000 1.341 104 G CA 0.271 45.416 45.100 0.074 0.000 0.784 104 G HN 1.938 nan 8.290 nan 0.000 0.497 105 S N -2.015 113.727 115.700 0.072 0.000 2.661 105 S HA 0.687 5.156 4.470 -0.001 0.000 0.285 105 S C 1.063 175.707 174.600 0.072 0.000 1.138 105 S CA 0.362 58.603 58.200 0.069 0.000 0.855 105 S CB 1.483 64.727 63.200 0.073 0.000 1.136 105 S HN 1.581 nan 8.310 nan 0.000 0.484 106 G N -0.078 108.763 108.800 0.068 0.000 2.408 106 G HA2 0.326 4.285 3.960 -0.001 0.000 0.215 106 G HA3 0.326 4.285 3.960 -0.001 0.000 0.215 106 G C 0.849 175.807 174.900 0.097 0.000 1.156 106 G CA 0.396 45.542 45.100 0.077 0.000 0.793 106 G HN 1.311 nan 8.290 nan 0.000 0.535 107 G N -1.071 107.790 108.800 0.101 0.000 3.839 107 G HA2 0.488 4.448 3.960 -0.001 0.000 0.286 107 G HA3 0.488 4.448 3.960 -0.001 0.000 0.286 107 G C 0.992 175.944 174.900 0.087 0.000 1.005 107 G CA 0.723 45.885 45.100 0.103 0.000 0.824 107 G HN 1.035 nan 8.290 nan 0.000 0.489 108 G N 0.625 109.474 108.800 0.081 0.000 2.602 108 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.310 108 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.310 108 G C 0.492 175.445 174.900 0.089 0.000 1.183 108 G CA 0.831 45.978 45.100 0.079 0.000 0.979 108 G HN 1.519 nan 8.290 nan 0.000 0.545 109 S N 1.414 117.176 115.700 0.104 0.000 2.312 109 S HA 0.631 5.101 4.470 -0.001 0.000 0.173 109 S C -1.381 173.287 174.600 0.113 0.000 1.488 109 S CA 0.077 58.359 58.200 0.137 0.000 1.239 109 S CB 1.659 65.000 63.200 0.235 0.000 1.215 109 S HN 0.303 nan 8.310 nan 0.000 0.438 110 P HA -0.095 nan 4.420 nan 0.000 0.218 110 P C 1.459 178.716 177.300 -0.072 0.000 1.148 110 P CA 0.639 63.731 63.100 -0.014 0.000 0.822 110 P CB 0.109 31.778 31.700 -0.051 0.000 0.784 111 R N -0.893 119.540 120.500 -0.111 0.000 2.081 111 R HA -0.097 4.242 4.340 -0.001 0.000 0.235 111 R C 1.756 177.902 176.300 -0.256 0.000 1.131 111 R CA 1.607 57.559 56.100 -0.247 0.000 0.960 111 R CB -0.966 29.145 30.300 -0.315 0.000 0.856 111 R HN 0.110 nan 8.270 nan 0.000 0.436 112 F N -0.050 119.933 119.950 0.055 0.000 2.569 112 F HA 0.081 4.608 4.527 -0.001 0.000 0.295 112 F C 2.401 178.311 175.800 0.183 0.000 1.115 112 F CA 0.342 58.433 58.000 0.152 0.000 1.450 112 F CB 0.077 39.130 39.000 0.088 0.000 1.107 112 F HN 0.123 nan 8.300 nan 0.000 0.563 113 Q N 0.529 120.461 119.800 0.220 0.000 2.049 113 Q HA -0.089 4.251 4.340 -0.001 0.000 0.198 113 Q C 2.230 178.283 176.000 0.090 0.000 0.971 113 Q CA 1.586 57.474 55.803 0.142 0.000 0.833 113 Q CB -0.676 28.114 28.738 0.086 0.000 0.896 113 Q HN 0.232 nan 8.270 nan 0.000 0.434 114 V N 0.908 120.849 119.914 0.046 0.000 2.490 114 V HA -0.187 3.933 4.120 -0.001 0.000 0.250 114 V C 2.018 178.139 176.094 0.045 0.000 1.061 114 V CA 1.738 64.047 62.300 0.015 0.000 1.064 114 V CB -0.717 31.071 31.823 -0.057 0.000 0.670 114 V HN 0.443 nan 8.190 nan 0.000 0.461 115 F N 1.846 121.768 119.950 -0.047 0.000 2.206 115 F HA 0.079 4.606 4.527 -0.001 0.000 0.298 115 F C 2.111 177.933 175.800 0.037 0.000 1.090 115 F CA 1.557 59.540 58.000 -0.029 0.000 1.323 115 F CB -0.790 38.144 39.000 -0.110 0.000 1.028 115 F HN 0.110 nan 8.300 nan 0.000 0.492 116 G N 0.138 108.828 108.800 -0.183 0.000 2.418 116 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.217 116 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.217 116 G C 1.827 176.592 174.900 -0.224 0.000 1.158 116 G CA 0.822 45.769 45.100 -0.255 0.000 0.771 116 G HN 0.622 nan 8.290 nan 0.000 0.545 117 A N 1.265 124.016 122.820 -0.115 0.000 1.858 117 A HA -0.075 4.245 4.320 -0.001 0.000 0.216 117 A C 2.119 179.642 177.584 -0.103 0.000 1.190 117 A CA 2.139 54.130 52.037 -0.077 0.000 0.617 117 A CB -0.511 18.473 19.000 -0.027 0.000 0.827 117 A HN 0.286 nan 8.150 nan 0.000 0.443 118 D N 0.170 120.500 120.400 -0.117 0.000 2.084 118 D HA -0.097 4.542 4.640 -0.001 0.000 0.194 118 D C 2.301 178.508 176.300 -0.156 0.000 0.990 118 D CA 1.716 55.659 54.000 -0.096 0.000 0.826 118 D CB -0.724 40.047 40.800 -0.048 0.000 0.971 118 D HN 0.405 nan 8.370 nan 0.000 0.453 119 A N 0.928 123.554 122.820 -0.323 0.000 1.927 119 A HA -0.255 4.064 4.320 -0.001 0.000 0.220 119 A C 2.176 179.650 177.584 -0.183 0.000 1.185 119 A CA 2.347 54.190 52.037 -0.323 0.000 0.639 119 A CB -0.634 17.978 19.000 -0.647 0.000 0.820 119 A HN 0.169 nan 8.150 nan 0.000 0.451 120 M N -0.391 119.105 119.600 -0.173 0.000 2.117 120 M HA -0.099 4.380 4.480 -0.001 0.000 0.262 120 M C 1.908 178.170 176.300 -0.064 0.000 1.065 120 M CA 1.698 56.939 55.300 -0.099 0.000 1.114 120 M CB -0.534 32.017 32.600 -0.082 0.000 1.361 120 M HN 0.364 nan 8.290 nan 0.000 0.408 121 R N 0.153 120.617 120.500 -0.060 0.000 2.285 121 R HA 0.139 4.479 4.340 -0.001 0.000 0.213 121 R C 1.150 177.433 176.300 -0.029 0.000 1.068 121 R CA 0.619 56.697 56.100 -0.036 0.000 1.004 121 R CB -0.838 29.446 30.300 -0.027 0.000 0.873 121 R HN 0.498 nan 8.270 nan 0.000 0.467 122 G N 0.516 109.294 108.800 -0.037 0.000 2.580 122 G HA2 0.164 4.124 3.960 -0.001 0.000 0.278 122 G HA3 0.164 4.124 3.960 -0.001 0.000 0.278 122 G C -1.680 173.209 174.900 -0.019 0.000 1.212 122 G CA -1.180 43.906 45.100 -0.024 0.000 0.939 122 G HN -0.085 nan 8.290 nan 0.000 0.513 123 P HA -0.055 nan 4.420 nan 0.000 0.218 123 P C 1.775 179.071 177.300 -0.008 0.000 1.148 123 P CA 0.713 63.809 63.100 -0.007 0.000 0.822 123 P CB 0.237 31.935 31.700 -0.002 0.000 0.784 124 R N -1.060 119.435 120.500 -0.009 0.000 2.275 124 R HA 0.128 4.468 4.340 -0.001 0.000 0.199 124 R C 1.724 178.015 176.300 -0.015 0.000 0.989 124 R CA 0.908 57.004 56.100 -0.007 0.000 1.016 124 R CB -0.971 29.329 30.300 -0.000 0.000 0.918 124 R HN 0.216 nan 8.270 nan 0.000 0.473 125 G N 1.780 110.566 108.800 -0.024 0.000 2.660 125 G HA2 -0.383 3.577 3.960 -0.001 0.000 0.321 125 G HA3 -0.383 3.577 3.960 -0.001 0.000 0.321 125 G C 0.825 175.704 174.900 -0.035 0.000 1.246 125 G CA 0.472 45.554 45.100 -0.030 0.000 1.000 125 G HN 0.203 nan 8.290 nan 0.000 0.550 126 L N 1.159 122.367 121.223 -0.026 0.000 2.042 126 L HA -0.001 4.338 4.340 -0.001 0.000 0.210 126 L C 2.836 179.696 176.870 -0.017 0.000 1.076 126 L CA 2.832 57.658 54.840 -0.023 0.000 0.749 126 L CB -1.113 40.935 42.059 -0.019 0.000 0.893 126 L HN 0.656 nan 8.230 nan 0.000 0.432 127 K N -0.781 119.612 120.400 -0.011 0.000 2.152 127 K HA -0.125 4.194 4.320 -0.001 0.000 0.206 127 K C 2.098 178.708 176.600 0.016 0.000 1.048 127 K CA 1.378 57.666 56.287 0.000 0.000 0.933 127 K CB -0.359 32.142 32.500 0.003 0.000 0.721 127 K HN 0.346 nan 8.250 nan 0.000 0.447 128 A N 0.461 123.284 122.820 0.005 0.000 1.930 128 A HA -0.056 4.264 4.320 -0.001 0.000 0.215 128 A C 2.311 179.908 177.584 0.022 0.000 1.176 128 A CA 1.001 53.047 52.037 0.016 0.000 0.632 128 A CB -0.464 18.520 19.000 -0.027 0.000 0.819 128 A HN 0.052 nan 8.150 nan 0.000 0.445 129 V N -0.487 119.408 119.914 -0.032 0.000 2.261 129 V HA 0.173 4.292 4.120 -0.001 0.000 0.246 129 V C 1.615 177.793 176.094 0.141 0.000 1.047 129 V CA 1.416 63.700 62.300 -0.026 0.000 1.015 129 V CB -1.819 29.980 31.823 -0.040 0.000 0.642 129 V HN 1.307 nan 8.190 nan 0.000 0.446 130 G N 0.010 108.851 108.800 0.070 0.000 2.712 130 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.683 130 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.683 130 G C -2.102 172.752 174.900 -0.077 0.000 1.320 130 G CA -0.141 44.977 45.100 0.031 0.000 0.847 130 G HN 0.297 nan 8.290 nan 0.000 0.553 131 P HA 0.292 nan 4.420 nan 0.000 0.266 131 P C 0.249 177.284 177.300 -0.442 0.000 1.381 131 P CA 0.535 63.396 63.100 -0.398 0.000 0.940 131 P CB 0.009 31.404 31.700 -0.509 0.000 1.435 132 Y N -1.538 118.774 120.300 0.021 0.000 2.481 132 Y HA 0.114 4.664 4.550 -0.001 0.000 0.247 132 Y C 2.106 178.016 175.900 0.015 0.000 1.151 132 Y CA -0.178 57.915 58.100 -0.011 0.000 1.238 132 Y CB -0.419 37.938 38.460 -0.172 0.000 1.179 132 Y HN -0.275 nan 8.280 nan 0.000 0.524 133 V N -1.319 118.709 119.914 0.191 0.000 2.809 133 V HA -0.178 3.942 4.120 -0.001 0.000 0.256 133 V C 1.974 178.155 176.094 0.145 0.000 1.080 133 V CA 1.217 63.640 62.300 0.204 0.000 1.102 133 V CB -0.795 31.200 31.823 0.286 0.000 0.705 133 V HN 0.217 nan 8.190 nan 0.000 0.475 134 V N 1.237 121.224 119.914 0.122 0.000 2.244 134 V HA -0.237 3.883 4.120 -0.001 0.000 0.244 134 V C 2.890 179.039 176.094 0.093 0.000 1.042 134 V CA 2.578 64.937 62.300 0.097 0.000 1.006 134 V CB -1.325 30.546 31.823 0.079 0.000 0.641 134 V HN 0.769 nan 8.190 nan 0.000 0.446 135 T N -1.466 113.162 114.554 0.124 0.000 2.881 135 T HA -0.201 4.149 4.350 -0.001 0.000 0.270 135 T C 1.755 176.483 174.700 0.046 0.000 1.068 135 T CA 1.444 63.604 62.100 0.101 0.000 1.131 135 T CB -0.283 68.698 68.868 0.187 0.000 0.871 135 T HN 0.481 nan 8.240 nan 0.000 0.479 136 K N 1.291 121.689 120.400 -0.003 0.000 2.021 136 K HA 0.271 4.591 4.320 -0.001 0.000 0.205 136 K C 2.794 179.392 176.600 -0.003 0.000 1.047 136 K CA 1.110 57.310 56.287 -0.145 0.000 0.943 136 K CB -0.378 31.811 32.500 -0.518 0.000 0.725 136 K HN 0.423 nan 8.250 nan 0.000 0.439 137 A N 2.301 125.173 122.820 0.086 0.000 2.067 137 A HA -0.006 4.314 4.320 -0.001 0.000 0.217 137 A C 1.364 179.003 177.584 0.093 0.000 1.156 137 A CA 0.161 52.280 52.037 0.137 0.000 0.683 137 A CB -0.603 18.500 19.000 0.172 0.000 0.808 137 A HN 0.415 nan 8.150 nan 0.000 0.455 138 M N -1.122 118.521 119.600 0.072 0.000 2.249 138 M HA 0.438 4.917 4.480 -0.001 0.000 0.340 138 M C 0.929 177.264 176.300 0.058 0.000 1.166 138 M CA 0.454 55.790 55.300 0.060 0.000 1.115 138 M CB 0.585 33.215 32.600 0.050 0.000 1.606 138 M HN 0.099 nan 8.290 nan 0.000 0.448 139 A N 2.986 125.840 122.820 0.057 0.000 1.948 139 A HA -0.164 4.156 4.320 -0.001 0.000 0.220 139 A C 2.121 179.742 177.584 0.062 0.000 1.177 139 A CA 2.407 54.479 52.037 0.059 0.000 0.636 139 A CB -1.172 17.860 19.000 0.054 0.000 0.815 139 A HN 1.055 nan 8.150 nan 0.000 0.449 140 S N -0.659 115.076 115.700 0.059 0.000 2.603 140 S HA 0.223 4.693 4.470 -0.001 0.000 0.220 140 S C 1.794 176.430 174.600 0.059 0.000 0.967 140 S CA 0.765 59.005 58.200 0.067 0.000 0.920 140 S CB -0.708 62.533 63.200 0.068 0.000 0.773 140 S HN 0.740 nan 8.310 nan 0.000 0.529 141 G N 2.532 111.363 108.800 0.051 0.000 2.624 141 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.221 141 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.221 141 G C 1.346 176.275 174.900 0.047 0.000 1.169 141 G CA 1.502 46.626 45.100 0.040 0.000 0.771 141 G HN 0.504 nan 8.290 nan 0.000 0.598 142 V N 1.628 121.577 119.914 0.058 0.000 2.332 142 V HA -0.227 3.893 4.120 -0.001 0.000 0.248 142 V C 3.248 179.388 176.094 0.077 0.000 1.055 142 V CA 2.615 64.957 62.300 0.070 0.000 1.038 142 V CB -0.552 31.314 31.823 0.071 0.000 0.651 142 V HN 0.694 nan 8.190 nan 0.000 0.450 143 S N 0.674 116.416 115.700 0.070 0.000 2.362 143 S HA -0.016 4.453 4.470 -0.001 0.000 0.221 143 S C 2.150 176.788 174.600 0.064 0.000 1.032 143 S CA 1.022 59.261 58.200 0.065 0.000 0.973 143 S CB -0.455 62.785 63.200 0.066 0.000 0.849 143 S HN 0.531 nan 8.310 nan 0.000 0.465 144 A N 0.907 123.758 122.820 0.052 0.000 1.908 144 A HA -0.088 4.231 4.320 -0.001 0.000 0.218 144 A C 2.390 179.985 177.584 0.018 0.000 1.181 144 A CA 1.654 53.706 52.037 0.026 0.000 0.627 144 A CB -1.548 17.455 19.000 0.005 0.000 0.818 144 A HN 0.714 nan 8.150 nan 0.000 0.445 145 C N -0.668 118.655 119.300 0.038 0.000 2.472 145 C HA 0.186 4.645 4.460 -0.001 0.000 0.278 145 C C 2.293 177.370 174.990 0.145 0.000 1.447 145 C CA 0.479 59.527 59.018 0.049 0.000 1.773 145 C CB -1.263 26.502 27.740 0.041 0.000 1.793 145 C HN 0.569 nan 8.230 nan 0.000 0.544 146 L N -0.203 121.134 121.223 0.189 0.000 2.445 146 L HA 0.146 4.486 4.340 -0.001 0.000 0.207 146 L C 2.821 179.871 176.870 0.300 0.000 1.053 146 L CA 1.062 56.100 54.840 0.329 0.000 0.841 146 L CB -1.261 40.952 42.059 0.256 0.000 1.074 146 L HN 0.184 nan 8.230 nan 0.000 0.479 147 A N 0.514 123.438 122.820 0.173 0.000 1.908 147 A HA -0.185 4.135 4.320 -0.001 0.000 0.218 147 A C 2.334 180.007 177.584 0.148 0.000 1.181 147 A CA 2.471 54.599 52.037 0.152 0.000 0.627 147 A CB -0.802 18.253 19.000 0.091 0.000 0.818 147 A HN 0.358 nan 8.150 nan 0.000 0.445 148 T N 0.297 114.905 114.554 0.090 0.000 2.668 148 T HA -0.058 4.292 4.350 -0.001 0.000 0.262 148 T C -0.042 174.688 174.700 0.050 0.000 1.045 148 T CA 1.585 63.712 62.100 0.044 0.000 1.152 148 T CB -1.067 67.778 68.868 -0.040 0.000 0.864 148 T HN 0.502 nan 8.240 nan 0.000 0.419 149 P HA -0.020 nan 4.420 nan 0.000 0.217 149 P C 0.875 178.126 177.300 -0.082 0.000 1.150 149 P CA 1.093 64.168 63.100 -0.042 0.000 0.832 149 P CB -0.251 31.417 31.700 -0.054 0.000 0.787 150 F N -0.273 119.738 119.950 0.102 0.000 2.811 150 F HA 0.150 4.676 4.527 -0.001 0.000 0.301 150 F C 0.915 176.772 175.800 0.094 0.000 1.151 150 F CA 0.398 58.458 58.000 0.099 0.000 1.412 150 F CB -0.699 38.309 39.000 0.013 0.000 1.113 150 F HN -0.184 nan 8.300 nan 0.000 0.579 151 K N 0.093 120.609 120.400 0.193 0.000 3.167 151 K HA -0.167 4.152 4.320 -0.001 0.000 0.272 151 K C -0.615 176.070 176.600 0.141 0.000 1.137 151 K CA 0.125 56.479 56.287 0.112 0.000 0.800 151 K CB -1.742 30.741 32.500 -0.028 0.000 1.253 151 K HN 0.041 nan 8.250 nan 0.000 0.497 152 I N 0.980 121.689 120.570 0.233 0.000 2.496 152 I HA -0.010 4.160 4.170 -0.001 0.000 0.285 152 I C 1.706 178.016 176.117 0.321 0.000 1.080 152 I CA 0.559 62.003 61.300 0.240 0.000 1.404 152 I CB 0.689 38.815 38.000 0.210 0.000 1.403 152 I HN 0.321 nan 8.210 nan 0.000 0.539 153 H N 3.427 122.535 119.070 0.063 0.000 2.874 153 H HA 0.161 4.716 4.556 -0.001 0.000 0.264 153 H C 1.373 176.715 175.328 0.024 0.000 1.007 153 H CA 0.064 56.133 56.048 0.035 0.000 1.207 153 H CB 1.405 31.182 29.762 0.025 0.000 1.487 153 H HN 0.769 nan 8.280 nan 0.000 0.505 154 G N 1.143 110.024 108.800 0.136 0.000 2.873 154 G HA2 0.183 4.143 3.960 -0.001 0.000 0.170 154 G HA3 0.183 4.143 3.960 -0.001 0.000 0.170 154 G C 0.199 175.109 174.900 0.017 0.000 1.608 154 G CA 0.123 45.257 45.100 0.056 0.000 1.084 154 G HN 0.115 nan 8.290 nan 0.000 0.563 155 V N -0.682 119.209 119.914 -0.038 0.000 2.872 155 V HA 0.441 4.561 4.120 -0.001 0.000 0.307 155 V C -0.224 175.761 176.094 -0.181 0.000 1.072 155 V CA -0.335 61.892 62.300 -0.121 0.000 1.148 155 V CB 1.147 32.810 31.823 -0.265 0.000 0.954 155 V HN 0.704 nan 8.190 nan 0.000 0.490 156 N N 3.400 121.987 118.700 -0.187 0.000 2.664 156 N HA 0.502 5.242 4.740 -0.001 0.000 0.268 156 N C -1.240 174.270 175.510 -0.000 0.000 1.222 156 N CA -0.570 52.413 53.050 -0.110 0.000 0.805 156 N CB 1.103 39.595 38.487 0.008 0.000 1.399 156 N HN 0.999 nan 8.380 nan 0.000 0.547 157 Y N -0.958 119.364 120.300 0.035 0.000 2.814 157 Y HA 0.670 5.220 4.550 -0.000 0.000 0.348 157 Y C -1.281 174.638 175.900 0.032 0.000 1.245 157 Y CA -1.175 56.942 58.100 0.029 0.000 1.086 157 Y CB 0.139 38.612 38.460 0.021 0.000 1.373 157 Y HN 0.097 nan 8.280 nan 0.000 0.451 158 S N 1.665 117.560 115.700 0.326 0.000 2.607 158 S HA 0.796 5.265 4.470 -0.001 0.000 0.303 158 S C -1.093 173.644 174.600 0.228 0.000 1.086 158 S CA -0.809 57.522 58.200 0.219 0.000 0.995 158 S CB 1.445 64.724 63.200 0.131 0.000 1.084 158 S HN 0.526 nan 8.310 nan 0.000 0.507 159 I N 2.023 122.698 120.570 0.174 0.000 2.474 159 I HA 0.436 4.606 4.170 -0.001 0.000 0.294 159 I C -0.483 175.698 176.117 0.107 0.000 1.005 159 I CA -0.466 60.913 61.300 0.132 0.000 1.113 159 I CB 1.659 39.751 38.000 0.153 0.000 1.289 159 I HN 0.503 nan 8.210 nan 0.000 0.436 160 S N 3.618 119.365 115.700 0.079 0.000 2.659 160 S HA 0.444 4.913 4.470 -0.001 0.000 0.312 160 S C 0.024 174.673 174.600 0.083 0.000 1.114 160 S CA -0.660 57.590 58.200 0.083 0.000 1.063 160 S CB 1.350 64.592 63.200 0.070 0.000 0.996 160 S HN 0.669 nan 8.310 nan 0.000 0.478 161 S N 1.001 116.776 115.700 0.125 0.000 2.694 161 S HA 0.702 5.171 4.470 -0.001 0.000 0.232 161 S C 0.754 175.441 174.600 0.144 0.000 1.017 161 S CA -0.172 58.118 58.200 0.149 0.000 1.139 161 S CB 0.034 63.401 63.200 0.278 0.000 1.247 161 S HN 1.439 nan 8.310 nan 0.000 0.452 162 A N 0.688 123.572 122.820 0.107 0.000 5.308 162 A HA -0.331 3.989 4.320 -0.001 0.000 0.321 162 A C 1.533 179.142 177.584 0.040 0.000 1.849 162 A CA 1.197 53.279 52.037 0.074 0.000 0.713 162 A CB -2.040 17.003 19.000 0.072 0.000 1.360 162 A HN 1.192 nan 8.150 nan 0.000 0.384 163 C N 0.502 119.801 119.300 -0.001 0.000 2.536 163 C HA 0.482 4.942 4.460 -0.001 0.000 0.285 163 C C 2.227 177.247 174.990 0.051 0.000 1.371 163 C CA 0.900 59.947 59.018 0.049 0.000 1.675 163 C CB -1.796 26.014 27.740 0.116 0.000 1.689 163 C HN 1.358 nan 8.230 nan 0.000 0.589 164 A N -0.010 122.827 122.820 0.028 0.000 2.508 164 A HA 0.137 4.457 4.320 -0.001 0.000 0.250 164 A C 1.986 179.588 177.584 0.030 0.000 1.208 164 A CA 0.903 52.914 52.037 -0.044 0.000 0.960 164 A CB -0.527 18.452 19.000 -0.036 0.000 1.099 164 A HN 0.492 nan 8.150 nan 0.000 0.542 165 T N 0.262 114.878 114.554 0.103 0.000 2.624 165 T HA -0.264 4.085 4.350 -0.001 0.000 0.268 165 T C 2.112 176.861 174.700 0.082 0.000 1.041 165 T CA 2.915 65.095 62.100 0.134 0.000 1.159 165 T CB -0.941 67.988 68.868 0.102 0.000 0.863 165 T HN 0.839 nan 8.240 nan 0.000 0.434 166 S N 1.640 117.353 115.700 0.021 0.000 2.447 166 S HA 0.244 4.714 4.470 -0.001 0.000 0.233 166 S C 2.383 176.950 174.600 -0.055 0.000 1.006 166 S CA 0.836 59.029 58.200 -0.012 0.000 0.957 166 S CB -0.792 62.389 63.200 -0.032 0.000 0.773 166 S HN 0.855 nan 8.310 nan 0.000 0.507 167 A N 1.610 124.373 122.820 -0.094 0.000 1.897 167 A HA 0.033 4.353 4.320 -0.001 0.000 0.215 167 A C 1.928 179.430 177.584 -0.136 0.000 1.181 167 A CA 1.300 53.242 52.037 -0.157 0.000 0.620 167 A CB -1.047 17.808 19.000 -0.241 0.000 0.821 167 A HN 0.694 nan 8.150 nan 0.000 0.443 168 H N -1.810 117.273 119.070 0.021 0.000 2.457 168 H HA -0.102 4.454 4.556 -0.001 0.000 0.294 168 H C 2.117 177.425 175.328 -0.033 0.000 1.064 168 H CA 1.165 57.251 56.048 0.063 0.000 1.330 168 H CB -0.119 29.711 29.762 0.113 0.000 1.395 168 H HN 0.532 nan 8.280 nan 0.000 0.541 169 C N 0.069 119.413 119.300 0.073 0.000 2.446 169 C HA -0.107 4.353 4.460 -0.001 0.000 0.277 169 C C 2.652 177.597 174.990 -0.075 0.000 1.275 169 C CA 0.764 59.797 59.018 0.024 0.000 1.727 169 C CB -0.719 27.033 27.740 0.020 0.000 2.010 169 C HN 0.535 nan 8.230 nan 0.000 0.486 170 I N 0.902 121.391 120.570 -0.135 0.000 2.252 170 I HA -0.081 4.089 4.170 -0.001 0.000 0.245 170 I C 2.698 178.610 176.117 -0.340 0.000 1.102 170 I CA 1.711 62.894 61.300 -0.196 0.000 1.385 170 I CB -0.857 37.034 38.000 -0.181 0.000 1.064 170 I HN 0.436 nan 8.210 nan 0.000 0.414 171 G N 0.436 108.871 108.800 -0.608 0.000 2.422 171 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.218 171 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.218 171 G C 1.410 175.857 174.900 -0.754 0.000 1.146 171 G CA 1.031 45.265 45.100 -1.443 0.000 0.769 171 G HN 0.333 nan 8.290 nan 0.000 0.547 172 N N 0.409 118.925 118.700 -0.306 0.000 2.188 172 N HA 0.056 4.796 4.740 -0.001 0.000 0.184 172 N C 2.429 177.908 175.510 -0.052 0.000 1.018 172 N CA 1.147 54.173 53.050 -0.040 0.000 0.858 172 N CB -0.164 38.378 38.487 0.091 0.000 0.989 172 N HN 0.263 nan 8.380 nan 0.000 0.426 173 A N -0.131 122.623 122.820 -0.110 0.000 1.933 173 A HA -0.081 4.238 4.320 -0.001 0.000 0.218 173 A C 2.255 179.775 177.584 -0.107 0.000 1.175 173 A CA 1.197 53.168 52.037 -0.111 0.000 0.628 173 A CB -0.762 18.157 19.000 -0.135 0.000 0.814 173 A HN 0.148 nan 8.150 nan 0.000 0.444 174 V N 0.226 120.059 119.914 -0.135 0.000 2.343 174 V HA -0.272 3.847 4.120 -0.001 0.000 0.247 174 V C 2.351 178.424 176.094 -0.035 0.000 1.051 174 V CA 2.268 64.512 62.300 -0.095 0.000 1.036 174 V CB -0.853 30.900 31.823 -0.117 0.000 0.654 174 V HN 0.645 nan 8.190 nan 0.000 0.451 175 E N -0.569 119.625 120.200 -0.010 0.000 2.150 175 E HA -0.218 4.132 4.350 -0.001 0.000 0.193 175 E C 2.364 178.977 176.600 0.023 0.000 0.985 175 E CA 0.873 57.298 56.400 0.042 0.000 0.814 175 E CB -0.123 29.631 29.700 0.090 0.000 0.752 175 E HN 0.532 nan 8.360 nan 0.000 0.466 176 Q N 0.241 120.043 119.800 0.003 0.000 2.119 176 Q HA -0.119 4.221 4.340 -0.001 0.000 0.201 176 Q C 2.202 178.188 176.000 -0.023 0.000 0.972 176 Q CA 0.991 56.791 55.803 -0.005 0.000 0.847 176 Q CB -0.130 28.593 28.738 -0.026 0.000 0.903 176 Q HN 0.302 nan 8.270 nan 0.000 0.433 177 I N 0.840 121.387 120.570 -0.039 0.000 2.286 177 I HA -0.244 3.926 4.170 -0.001 0.000 0.245 177 I C 2.342 178.447 176.117 -0.020 0.000 1.104 177 I CA 1.119 62.392 61.300 -0.045 0.000 1.397 177 I CB -0.188 37.776 38.000 -0.059 0.000 1.072 177 I HN 0.185 nan 8.210 nan 0.000 0.417 178 Q N -0.143 119.653 119.800 -0.006 0.000 2.124 178 Q HA -0.125 4.215 4.340 -0.001 0.000 0.202 178 Q C 2.058 178.064 176.000 0.010 0.000 0.977 178 Q CA 1.215 57.023 55.803 0.008 0.000 0.850 178 Q CB -0.182 28.570 28.738 0.024 0.000 0.901 178 Q HN 0.474 nan 8.270 nan 0.000 0.429 179 L N -0.480 120.749 121.223 0.011 0.000 2.599 179 L HA 0.088 4.427 4.340 -0.001 0.000 0.230 179 L C 1.157 178.030 176.870 0.005 0.000 1.141 179 L CA 0.369 55.217 54.840 0.013 0.000 0.877 179 L CB -0.188 41.883 42.059 0.020 0.000 1.009 179 L HN 0.417 nan 8.230 nan 0.000 0.447 180 G N 0.166 108.964 108.800 -0.003 0.000 2.155 180 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.257 180 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.257 180 G C 1.057 175.950 174.900 -0.012 0.000 0.983 180 G CA 0.733 45.828 45.100 -0.008 0.000 0.676 180 G HN 0.401 nan 8.290 nan 0.000 0.528 181 K N -0.831 119.563 120.400 -0.011 0.000 2.228 181 K HA 0.081 4.401 4.320 -0.001 0.000 0.202 181 K C 1.080 177.663 176.600 -0.028 0.000 1.051 181 K CA 0.922 57.203 56.287 -0.009 0.000 0.960 181 K CB 0.027 32.530 32.500 0.005 0.000 0.743 181 K HN 0.455 nan 8.250 nan 0.000 0.458 182 Q N -0.417 119.353 119.800 -0.051 0.000 2.421 182 Q HA 0.143 4.482 4.340 -0.001 0.000 0.280 182 Q C -0.518 175.405 176.000 -0.129 0.000 1.085 182 Q CA -0.383 55.368 55.803 -0.087 0.000 0.807 182 Q CB 1.989 30.670 28.738 -0.095 0.000 1.405 182 Q HN -0.057 nan 8.270 nan 0.000 0.419 183 D N 0.187 120.466 120.400 -0.201 0.000 2.324 183 D HA 0.281 4.920 4.640 -0.001 0.000 0.212 183 D C 0.237 176.332 176.300 -0.343 0.000 0.984 183 D CA 0.809 54.616 54.000 -0.322 0.000 0.885 183 D CB 1.222 41.669 40.800 -0.588 0.000 0.996 183 D HN 0.362 nan 8.370 nan 0.000 0.505 184 I N 0.708 121.087 120.570 -0.319 0.000 2.619 184 I HA 0.279 4.449 4.170 -0.001 0.000 0.292 184 I C -1.185 174.718 176.117 -0.357 0.000 1.100 184 I CA -0.768 60.317 61.300 -0.359 0.000 1.043 184 I CB 3.309 41.057 38.000 -0.420 0.000 1.239 184 I HN -0.412 nan 8.210 nan 0.000 0.420 185 V N 5.849 125.522 119.914 -0.402 0.000 2.569 185 V HA 0.382 4.502 4.120 -0.001 0.000 0.301 185 V C -0.793 175.070 176.094 -0.385 0.000 1.044 185 V CA -0.586 61.522 62.300 -0.319 0.000 0.874 185 V CB 1.898 33.604 31.823 -0.194 0.000 1.002 185 V HN 0.392 nan 8.190 nan 0.000 0.424 186 F N 3.566 123.422 119.950 -0.155 0.000 2.444 186 F HA 0.688 5.215 4.527 -0.001 0.000 0.360 186 F C 0.744 176.453 175.800 -0.152 0.000 1.106 186 F CA -0.002 57.891 58.000 -0.179 0.000 1.170 186 F CB 1.177 40.034 39.000 -0.237 0.000 1.113 186 F HN 0.583 nan 8.300 nan 0.000 0.521 187 A N 2.700 125.521 122.820 0.001 0.000 2.374 187 A HA 0.958 5.278 4.320 -0.001 0.000 0.317 187 A C 0.048 177.610 177.584 -0.036 0.000 1.094 187 A CA 0.067 52.083 52.037 -0.036 0.000 0.765 187 A CB 1.483 20.432 19.000 -0.084 0.000 1.268 187 A HN 1.023 nan 8.150 nan 0.000 0.438 188 G N -0.502 108.279 108.800 -0.031 0.000 2.491 188 G HA2 0.677 4.636 3.960 -0.001 0.000 0.183 188 G HA3 0.677 4.636 3.960 -0.001 0.000 0.183 188 G C -0.092 174.802 174.900 -0.009 0.000 1.221 188 G CA 0.441 45.520 45.100 -0.035 0.000 0.996 188 G HN 2.423 nan 8.290 nan 0.000 0.474 189 G N -2.072 106.728 108.800 -0.000 0.000 2.342 189 G HA2 0.813 4.773 3.960 -0.001 0.000 0.297 189 G HA3 0.813 4.773 3.960 -0.001 0.000 0.297 189 G C -0.486 174.444 174.900 0.049 0.000 1.313 189 G CA 0.757 45.874 45.100 0.029 0.000 0.830 189 G HN 2.138 nan 8.290 nan 0.000 0.506 190 G N -1.296 107.548 108.800 0.074 0.000 2.692 190 G HA2 0.685 4.645 3.960 -0.001 0.000 0.291 190 G HA3 0.685 4.645 3.960 -0.001 0.000 0.291 190 G C -1.930 173.042 174.900 0.120 0.000 1.423 190 G CA -0.293 44.880 45.100 0.122 0.000 0.843 190 G HN 0.702 nan 8.290 nan 0.000 0.486 191 E N -0.308 119.998 120.200 0.177 0.000 2.321 191 E HA 0.354 4.704 4.350 -0.001 0.000 0.281 191 E C -0.325 176.399 176.600 0.207 0.000 0.910 191 E CA -0.665 55.817 56.400 0.137 0.000 0.770 191 E CB 1.547 31.290 29.700 0.071 0.000 1.225 191 E HN 0.708 nan 8.360 nan 0.000 0.417 192 E N 3.118 123.397 120.200 0.132 0.000 2.345 192 E HA 0.419 4.769 4.350 -0.001 0.000 0.259 192 E C -0.781 175.874 176.600 0.090 0.000 1.117 192 E CA -0.843 55.626 56.400 0.116 0.000 0.913 192 E CB 1.148 30.875 29.700 0.044 0.000 1.057 192 E HN 0.243 nan 8.360 nan 0.000 0.432 193 L N 2.680 123.934 121.223 0.052 0.000 2.316 193 L HA 0.434 4.773 4.340 -0.001 0.000 0.280 193 L C -1.302 175.624 176.870 0.093 0.000 1.006 193 L CA -0.427 54.405 54.840 -0.014 0.000 0.836 193 L CB 0.678 42.544 42.059 -0.321 0.000 1.221 193 L HN 0.916 nan 8.230 nan 0.000 0.418 194 C N 2.247 121.659 119.300 0.186 0.000 3.171 194 C HA 0.416 4.876 4.460 -0.001 0.000 0.336 194 C C 1.132 176.220 174.990 0.163 0.000 1.198 194 C CA -1.084 58.040 59.018 0.177 0.000 1.319 194 C CB 0.640 28.347 27.740 -0.054 0.000 1.682 194 C HN 1.038 nan 8.230 nan 0.000 0.497 195 W N 1.228 122.643 121.300 0.192 0.000 2.374 195 W HA -0.035 4.624 4.660 -0.001 0.000 0.288 195 W C 1.069 177.656 176.519 0.113 0.000 1.218 195 W CA 1.938 59.356 57.345 0.121 0.000 1.245 195 W CB -1.017 28.473 29.460 0.050 0.000 1.126 195 W HN 0.898 nan 8.180 nan 0.000 0.545 196 E N 0.862 120.379 120.200 -1.139 0.000 2.070 196 E HA -0.281 4.069 4.350 -0.001 0.000 0.197 196 E C 2.340 178.754 176.600 -0.310 0.000 1.004 196 E CA 2.905 58.655 56.400 -1.082 0.000 0.805 196 E CB -0.653 28.470 29.700 -0.960 0.000 0.744 196 E HN 0.362 nan 8.360 nan 0.000 0.451 197 M N -0.430 119.095 119.600 -0.125 0.000 2.216 197 M HA 0.076 4.555 4.480 -0.001 0.000 0.264 197 M C 2.113 178.562 176.300 0.249 0.000 1.080 197 M CA 1.376 56.724 55.300 0.080 0.000 1.153 197 M CB 0.083 32.759 32.600 0.126 0.000 1.356 197 M HN 0.134 nan 8.290 nan 0.000 0.432 198 A N 0.239 123.208 122.820 0.249 0.000 1.978 198 A HA -0.230 4.090 4.320 -0.001 0.000 0.220 198 A C 2.339 180.105 177.584 0.302 0.000 1.170 198 A CA 1.812 54.038 52.037 0.315 0.000 0.636 198 A CB -1.744 17.424 19.000 0.279 0.000 0.810 198 A HN 0.883 nan 8.150 nan 0.000 0.448 199 C N -0.983 118.474 119.300 0.262 0.000 2.435 199 C HA 0.005 4.464 4.460 -0.001 0.000 0.279 199 C C 2.159 177.252 174.990 0.172 0.000 1.321 199 C CA 0.958 60.116 59.018 0.234 0.000 1.752 199 C CB -1.432 26.491 27.740 0.306 0.000 1.959 199 C HN 0.646 nan 8.230 nan 0.000 0.500 200 E N 0.472 120.754 120.200 0.137 0.000 2.110 200 E HA -0.100 4.250 4.350 -0.001 0.000 0.193 200 E C 1.741 178.323 176.600 -0.030 0.000 0.988 200 E CA 1.573 57.976 56.400 0.005 0.000 0.804 200 E CB -0.276 29.358 29.700 -0.110 0.000 0.745 200 E HN 0.808 nan 8.360 nan 0.000 0.458 201 F N 0.625 120.646 119.950 0.119 0.000 2.293 201 F HA -0.101 4.426 4.527 -0.000 0.000 0.297 201 F C 2.184 178.010 175.800 0.044 0.000 1.089 201 F CA 0.819 58.895 58.000 0.127 0.000 1.377 201 F CB -0.030 39.040 39.000 0.116 0.000 1.051 201 F HN -0.027 nan 8.300 nan 0.000 0.511 202 D N 0.422 120.943 120.400 0.202 0.000 2.117 202 D HA -0.141 4.499 4.640 -0.001 0.000 0.198 202 D C 2.280 178.629 176.300 0.082 0.000 0.982 202 D CA 1.268 55.328 54.000 0.099 0.000 0.828 202 D CB -0.250 40.605 40.800 0.091 0.000 0.967 202 D HN 0.149 nan 8.370 nan 0.000 0.464 203 A N 0.643 123.512 122.820 0.083 0.000 2.024 203 A HA -0.146 4.174 4.320 -0.001 0.000 0.220 203 A C 2.106 179.715 177.584 0.040 0.000 1.164 203 A CA 1.765 53.834 52.037 0.054 0.000 0.643 203 A CB -0.727 18.300 19.000 0.045 0.000 0.806 203 A HN 0.499 nan 8.150 nan 0.000 0.451 204 M N -2.431 117.201 119.600 0.054 0.000 2.453 204 M HA 0.446 4.926 4.480 -0.001 0.000 0.239 204 M C 1.047 177.387 176.300 0.067 0.000 1.151 204 M CA 0.451 55.776 55.300 0.043 0.000 0.989 204 M CB -0.172 32.444 32.600 0.025 0.000 1.548 204 M HN 0.461 nan 8.290 nan 0.000 0.479 205 G N 1.128 109.968 108.800 0.067 0.000 2.225 205 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.267 205 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.267 205 G C 0.836 175.784 174.900 0.081 0.000 1.024 205 G CA 0.456 45.591 45.100 0.058 0.000 0.784 205 G HN 0.742 nan 8.290 nan 0.000 0.507 206 A N -1.067 121.825 122.820 0.120 0.000 2.072 206 A HA 0.602 4.922 4.320 -0.001 0.000 0.216 206 A C 1.342 178.856 177.584 -0.116 0.000 1.156 206 A CA 0.845 52.977 52.037 0.158 0.000 0.701 206 A CB 0.109 19.381 19.000 0.452 0.000 0.816 206 A HN 0.665 nan 8.150 nan 0.000 0.458 207 L N -0.287 120.813 121.223 -0.204 0.000 2.360 207 L HA 0.369 4.708 4.340 -0.001 0.000 0.271 207 L C 0.704 177.503 176.870 -0.118 0.000 1.057 207 L CA -0.593 54.047 54.840 -0.332 0.000 0.803 207 L CB 1.465 43.345 42.059 -0.298 0.000 1.207 207 L HN 0.136 nan 8.230 nan 0.000 0.445 208 S N -0.028 115.627 115.700 -0.076 0.000 2.549 208 S HA 0.174 4.643 4.470 -0.001 0.000 0.279 208 S C 0.708 175.312 174.600 0.007 0.000 1.321 208 S CA 0.148 58.372 58.200 0.039 0.000 1.054 208 S CB 0.446 63.713 63.200 0.113 0.000 0.899 208 S HN 0.830 nan 8.310 nan 0.000 0.497 209 T N 1.467 116.022 114.554 0.001 0.000 3.041 209 T HA 0.320 4.670 4.350 -0.001 0.000 0.276 209 T C 0.762 175.386 174.700 -0.125 0.000 0.948 209 T CA -0.512 61.536 62.100 -0.088 0.000 0.885 209 T CB 0.041 68.851 68.868 -0.097 0.000 1.175 209 T HN 0.573 nan 8.240 nan 0.000 0.529 210 K N 0.649 120.955 120.400 -0.155 0.000 2.404 210 K HA 0.206 4.526 4.320 -0.001 0.000 0.194 210 K C -0.329 175.898 176.600 -0.620 0.000 1.023 210 K CA 0.264 56.306 56.287 -0.410 0.000 1.094 210 K CB 0.176 32.335 32.500 -0.568 0.000 0.841 210 K HN 0.533 nan 8.250 nan 0.000 0.523 211 Y N 0.340 120.635 120.300 -0.009 0.000 2.716 211 Y HA 0.236 4.785 4.550 -0.001 0.000 0.260 211 Y C 1.048 176.967 175.900 0.032 0.000 1.141 211 Y CA -0.628 57.480 58.100 0.012 0.000 1.168 211 Y CB 0.069 38.542 38.460 0.022 0.000 1.189 211 Y HN -0.040 nan 8.280 nan 0.000 0.549 212 N N 0.673 119.433 118.700 0.099 0.000 2.289 212 N HA -0.155 4.585 4.740 -0.001 0.000 0.184 212 N C 0.882 176.509 175.510 0.196 0.000 1.016 212 N CA 1.380 54.526 53.050 0.159 0.000 0.872 212 N CB 0.062 38.612 38.487 0.106 0.000 0.973 212 N HN 0.456 nan 8.380 nan 0.000 0.433 213 D N -0.227 120.239 120.400 0.111 0.000 2.269 213 D HA -0.037 4.603 4.640 -0.001 0.000 0.208 213 D C 0.545 176.892 176.300 0.078 0.000 0.963 213 D CA 0.934 54.971 54.000 0.062 0.000 0.864 213 D CB 0.027 40.842 40.800 0.025 0.000 0.936 213 D HN 0.327 nan 8.370 nan 0.000 0.505 214 T N -2.329 112.301 114.554 0.127 0.000 3.317 214 T HA 0.342 4.692 4.350 -0.001 0.000 0.361 214 T C -2.330 172.455 174.700 0.141 0.000 1.499 214 T CA -1.727 60.445 62.100 0.120 0.000 1.529 214 T CB 1.907 70.848 68.868 0.122 0.000 0.997 214 T HN -0.287 nan 8.240 nan 0.000 0.624 215 P HA -0.180 nan 4.420 nan 0.000 0.218 215 P C 1.322 178.681 177.300 0.098 0.000 1.154 215 P CA 1.380 64.570 63.100 0.151 0.000 0.872 215 P CB 0.136 31.946 31.700 0.183 0.000 0.790 216 E N -0.832 119.412 120.200 0.073 0.000 2.472 216 E HA -0.106 4.244 4.350 -0.001 0.000 0.200 216 E C 1.349 177.948 176.600 -0.002 0.000 1.046 216 E CA 0.606 57.028 56.400 0.037 0.000 0.871 216 E CB -0.166 29.553 29.700 0.032 0.000 0.806 216 E HN 0.372 nan 8.360 nan 0.000 0.533 217 K N -0.404 119.987 120.400 -0.014 0.000 2.358 217 K HA 0.217 4.536 4.320 -0.001 0.000 0.200 217 K C 1.700 178.126 176.600 -0.290 0.000 1.030 217 K CA 0.264 56.486 56.287 -0.108 0.000 1.097 217 K CB 0.877 33.340 32.500 -0.062 0.000 0.862 217 K HN -0.020 nan 8.250 nan 0.000 0.534 218 A N 1.493 124.223 122.820 -0.150 0.000 1.877 218 A HA -0.076 4.243 4.320 -0.001 0.000 0.216 218 A C 1.497 178.979 177.584 -0.169 0.000 1.186 218 A CA 1.247 53.194 52.037 -0.150 0.000 0.620 218 A CB -0.219 18.833 19.000 0.087 0.000 0.822 218 A HN 0.154 nan 8.150 nan 0.000 0.443 219 S N 0.570 116.222 115.700 -0.081 0.000 2.405 219 S HA 0.379 4.848 4.470 -0.001 0.000 0.291 219 S C 0.369 174.904 174.600 -0.108 0.000 1.137 219 S CA -0.553 57.615 58.200 -0.055 0.000 1.061 219 S CB -0.233 62.961 63.200 -0.009 0.000 1.001 219 S HN 0.486 nan 8.310 nan 0.000 0.507 220 R N 2.722 123.147 120.500 -0.124 0.000 2.701 220 R HA 0.229 4.569 4.340 -0.001 0.000 0.281 220 R C -0.584 175.648 176.300 -0.114 0.000 1.367 220 R CA -0.656 55.371 56.100 -0.121 0.000 1.510 220 R CB -0.694 29.508 30.300 -0.162 0.000 1.306 220 R HN 0.378 nan 8.270 nan 0.000 0.682 221 T N 1.663 116.103 114.554 -0.191 0.000 2.891 221 T HA -0.114 4.236 4.350 -0.001 0.000 0.296 221 T C 0.195 174.681 174.700 -0.358 0.000 1.025 221 T CA 1.040 62.893 62.100 -0.412 0.000 1.149 221 T CB -0.206 68.264 68.868 -0.662 0.000 1.007 221 T HN 0.658 nan 8.240 nan 0.000 0.528 222 Y N -1.552 118.758 120.300 0.015 0.000 4.779 222 Y HA -0.266 4.283 4.550 -0.001 0.000 0.284 222 Y C 0.848 176.754 175.900 0.010 0.000 0.973 222 Y CA 0.537 58.645 58.100 0.013 0.000 1.792 222 Y CB -1.510 36.956 38.460 0.010 0.000 1.120 222 Y HN 0.702 nan 8.280 nan 0.000 0.450 223 D N 1.193 121.656 120.400 0.106 0.000 2.389 223 D HA 0.465 5.105 4.640 -0.001 0.000 0.247 223 D C 1.140 177.470 176.300 0.049 0.000 1.128 223 D CA 0.801 54.851 54.000 0.083 0.000 0.884 223 D CB 1.378 42.214 40.800 0.059 0.000 1.194 223 D HN 0.269 nan 8.370 nan 0.000 0.441 224 A N 3.360 126.177 122.820 -0.005 0.000 2.186 224 A HA -0.180 4.140 4.320 -0.001 0.000 0.219 224 A C 0.946 178.309 177.584 -0.368 0.000 1.159 224 A CA 1.364 53.288 52.037 -0.188 0.000 0.680 224 A CB -0.550 18.280 19.000 -0.284 0.000 0.787 224 A HN 0.784 nan 8.150 nan 0.000 0.467 225 H N -0.949 118.177 119.070 0.094 0.000 2.475 225 H HA 0.186 4.741 4.556 -0.001 0.000 0.276 225 H C 0.516 175.949 175.328 0.175 0.000 1.126 225 H CA -0.385 55.748 56.048 0.141 0.000 1.023 225 H CB 0.149 30.022 29.762 0.185 0.000 1.669 225 H HN 0.586 nan 8.280 nan 0.000 0.573 226 R N 1.564 122.157 120.500 0.155 0.000 2.694 226 R HA 0.033 4.373 4.340 -0.001 0.000 0.268 226 R C -0.556 175.850 176.300 0.176 0.000 1.061 226 R CA 0.310 56.483 56.100 0.122 0.000 1.133 226 R CB 0.547 30.877 30.300 0.050 0.000 1.020 226 R HN 0.247 nan 8.270 nan 0.000 0.475 227 D N 0.808 121.327 120.400 0.199 0.000 2.940 227 D HA 0.236 4.876 4.640 -0.001 0.000 0.366 227 D C -0.018 176.358 176.300 0.127 0.000 1.446 227 D CA 0.058 54.160 54.000 0.170 0.000 0.780 227 D CB 0.325 41.242 40.800 0.196 0.000 1.206 227 D HN 0.935 nan 8.370 nan 0.000 0.454 228 G N 0.450 109.325 108.800 0.126 0.000 2.459 228 G HA2 0.203 4.162 3.960 -0.001 0.000 0.685 228 G HA3 0.203 4.162 3.960 -0.001 0.000 0.685 228 G C -0.623 174.359 174.900 0.137 0.000 1.303 228 G CA -0.697 44.473 45.100 0.116 0.000 0.907 228 G HN 0.366 nan 8.290 nan 0.000 0.632 229 F N -0.402 119.599 119.950 0.086 0.000 2.370 229 F HA 0.803 5.329 4.527 -0.001 0.000 0.319 229 F C 0.236 176.067 175.800 0.052 0.000 1.129 229 F CA -1.483 56.551 58.000 0.058 0.000 1.109 229 F CB 1.420 40.472 39.000 0.087 0.000 1.262 229 F HN 0.407 nan 8.300 nan 0.000 0.534 230 V N 5.008 125.112 119.914 0.316 0.000 2.333 230 V HA 0.234 4.354 4.120 -0.001 0.000 0.274 230 V C 0.359 176.666 176.094 0.355 0.000 1.028 230 V CA -0.792 61.626 62.300 0.196 0.000 0.851 230 V CB 0.873 32.787 31.823 0.152 0.000 1.000 230 V HN 0.853 nan 8.190 nan 0.000 0.456 231 I N 4.728 125.449 120.570 0.252 0.000 2.813 231 I HA 0.451 4.620 4.170 -0.001 0.000 0.287 231 I C 0.545 176.782 176.117 0.199 0.000 1.196 231 I CA 0.669 62.143 61.300 0.289 0.000 1.421 231 I CB 0.819 38.917 38.000 0.164 0.000 1.365 231 I HN 0.793 nan 8.210 nan 0.000 0.591 232 A N 4.575 127.452 122.820 0.094 0.000 2.593 232 A HA 0.867 5.187 4.320 -0.001 0.000 0.290 232 A C -0.698 176.852 177.584 -0.056 0.000 1.126 232 A CA -0.085 51.950 52.037 -0.003 0.000 0.695 232 A CB 1.291 20.301 19.000 0.016 0.000 1.290 232 A HN 0.845 nan 8.150 nan 0.000 0.414 233 G N -1.677 107.046 108.800 -0.128 0.000 2.605 233 G HA2 0.932 4.891 3.960 -0.001 0.000 0.296 233 G HA3 0.932 4.891 3.960 -0.001 0.000 0.296 233 G C -0.129 174.633 174.900 -0.231 0.000 1.304 233 G CA -0.175 44.870 45.100 -0.092 0.000 0.941 233 G HN 2.263 nan 8.290 nan 0.000 0.475 234 G N -1.861 106.793 108.800 -0.245 0.000 2.350 234 G HA2 0.634 4.593 3.960 -0.001 0.000 0.282 234 G HA3 0.634 4.593 3.960 -0.001 0.000 0.282 234 G C -0.421 174.410 174.900 -0.115 0.000 1.314 234 G CA 0.241 45.044 45.100 -0.495 0.000 0.915 234 G HN 1.860 nan 8.290 nan 0.000 0.499 235 G N -1.866 106.874 108.800 -0.100 0.000 2.695 235 G HA2 1.013 4.973 3.960 -0.001 0.000 0.290 235 G HA3 1.013 4.973 3.960 -0.001 0.000 0.290 235 G C -0.401 174.479 174.900 -0.034 0.000 1.410 235 G CA 0.191 45.303 45.100 0.020 0.000 0.844 235 G HN 2.006 nan 8.290 nan 0.000 0.478 236 G N -1.205 107.575 108.800 -0.033 0.000 2.732 236 G HA2 0.661 4.621 3.960 -0.001 0.000 0.296 236 G HA3 0.661 4.621 3.960 -0.001 0.000 0.296 236 G C -1.659 173.203 174.900 -0.062 0.000 1.448 236 G CA -0.600 44.456 45.100 -0.073 0.000 0.911 236 G HN 0.853 nan 8.290 nan 0.000 0.528 237 M N 1.342 120.898 119.600 -0.074 0.000 2.365 237 M HA 0.628 5.108 4.480 -0.001 0.000 0.287 237 M C -0.957 175.307 176.300 -0.060 0.000 1.154 237 M CA -0.622 54.641 55.300 -0.061 0.000 0.941 237 M CB 2.347 34.903 32.600 -0.072 0.000 1.704 237 M HN 1.066 nan 8.290 nan 0.000 0.479 238 V N 1.732 121.616 119.914 -0.050 0.000 2.914 238 V HA 0.899 5.019 4.120 -0.001 0.000 0.314 238 V C -1.085 174.983 176.094 -0.043 0.000 1.084 238 V CA -0.920 61.342 62.300 -0.063 0.000 0.963 238 V CB 1.872 33.630 31.823 -0.109 0.000 1.025 238 V HN 0.591 nan 8.190 nan 0.000 0.432 239 V N 3.468 123.345 119.914 -0.063 0.000 2.334 239 V HA 0.336 4.455 4.120 -0.001 0.000 0.267 239 V C 0.141 176.125 176.094 -0.182 0.000 1.040 239 V CA -0.374 61.814 62.300 -0.187 0.000 0.866 239 V CB 1.029 32.755 31.823 -0.163 0.000 1.019 239 V HN 0.723 nan 8.190 nan 0.000 0.468 240 V N 5.099 124.877 119.914 -0.226 0.000 2.406 240 V HA 0.406 4.526 4.120 -0.001 0.000 0.272 240 V C 0.144 176.121 176.094 -0.195 0.000 1.043 240 V CA -0.208 61.989 62.300 -0.172 0.000 0.915 240 V CB 1.182 32.910 31.823 -0.160 0.000 0.988 240 V HN 0.952 nan 8.190 nan 0.000 0.466 241 E N 2.893 123.014 120.200 -0.132 0.000 2.293 241 E HA 0.320 4.669 4.350 -0.001 0.000 0.270 241 E C -0.657 175.909 176.600 -0.058 0.000 0.879 241 E CA -0.741 55.593 56.400 -0.109 0.000 0.756 241 E CB 1.695 31.362 29.700 -0.056 0.000 1.208 241 E HN 0.703 nan 8.360 nan 0.000 0.428 242 E N 4.101 124.270 120.200 -0.052 0.000 2.376 242 E HA -0.040 4.310 4.350 -0.001 0.000 0.266 242 E C 0.940 177.556 176.600 0.027 0.000 1.009 242 E CA -0.140 56.251 56.400 -0.015 0.000 0.902 242 E CB 0.983 30.674 29.700 -0.015 0.000 0.972 242 E HN 0.632 nan 8.360 nan 0.000 0.439 243 L N 5.910 127.138 121.223 0.008 0.000 1.997 243 L HA -0.295 4.044 4.340 -0.001 0.000 0.227 243 L C 1.906 178.784 176.870 0.014 0.000 1.087 243 L CA 2.122 56.965 54.840 0.005 0.000 0.797 243 L CB -0.531 41.527 42.059 -0.003 0.000 0.902 243 L HN 0.593 nan 8.230 nan 0.000 0.441 244 E N -0.967 119.247 120.200 0.022 0.000 2.097 244 E HA -0.309 4.041 4.350 -0.001 0.000 0.196 244 E C 2.218 178.832 176.600 0.023 0.000 1.000 244 E CA 1.799 58.210 56.400 0.018 0.000 0.804 244 E CB -0.554 29.160 29.700 0.023 0.000 0.740 244 E HN 0.817 nan 8.360 nan 0.000 0.454 245 H N 0.276 119.330 119.070 -0.028 0.000 2.357 245 H HA -0.001 4.555 4.556 -0.001 0.000 0.301 245 H C 1.871 177.180 175.328 -0.032 0.000 1.082 245 H CA 2.050 58.081 56.048 -0.029 0.000 1.342 245 H CB -0.039 29.702 29.762 -0.035 0.000 1.389 245 H HN 0.142 nan 8.280 nan 0.000 0.511 246 A N 0.701 123.547 122.820 0.043 0.000 1.851 246 A HA -0.145 4.174 4.320 -0.001 0.000 0.216 246 A C 2.322 179.864 177.584 -0.070 0.000 1.195 246 A CA 1.623 53.653 52.037 -0.011 0.000 0.622 246 A CB -1.001 18.001 19.000 0.004 0.000 0.831 246 A HN 0.422 nan 8.150 nan 0.000 0.444 247 L N -0.239 120.952 121.223 -0.052 0.000 2.043 247 L HA -0.211 4.128 4.340 -0.001 0.000 0.212 247 L C 2.960 179.786 176.870 -0.074 0.000 1.075 247 L CA 2.074 56.881 54.840 -0.054 0.000 0.752 247 L CB -1.200 40.836 42.059 -0.037 0.000 0.891 247 L HN 0.442 nan 8.230 nan 0.000 0.432 248 A N -0.003 122.755 122.820 -0.103 0.000 1.940 248 A HA -0.211 4.108 4.320 -0.001 0.000 0.219 248 A C 2.106 179.611 177.584 -0.130 0.000 1.176 248 A CA 1.753 53.719 52.037 -0.119 0.000 0.631 248 A CB -0.538 18.373 19.000 -0.149 0.000 0.814 248 A HN 0.619 nan 8.150 nan 0.000 0.446 249 R N -0.972 119.426 120.500 -0.169 0.000 2.388 249 R HA 0.362 4.702 4.340 -0.001 0.000 0.247 249 R C 0.844 177.100 176.300 -0.072 0.000 0.931 249 R CA 0.449 56.473 56.100 -0.127 0.000 1.082 249 R CB -0.800 29.405 30.300 -0.158 0.000 1.135 249 R HN 0.671 nan 8.270 nan 0.000 0.525 250 G N 0.954 109.715 108.800 -0.064 0.000 2.350 250 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.298 250 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.298 250 G C 0.248 175.131 174.900 -0.028 0.000 1.037 250 G CA 0.242 45.318 45.100 -0.040 0.000 1.074 250 G HN 0.709 nan 8.290 nan 0.000 0.511 251 A N 0.338 123.138 122.820 -0.034 0.000 2.332 251 A HA 0.610 4.929 4.320 -0.001 0.000 0.258 251 A C 0.570 178.149 177.584 -0.010 0.000 1.087 251 A CA -0.145 51.883 52.037 -0.015 0.000 0.802 251 A CB 0.371 19.358 19.000 -0.021 0.000 1.042 251 A HN 0.936 nan 8.150 nan 0.000 0.489 252 H N 1.813 120.822 119.070 -0.102 0.000 2.761 252 H HA 0.380 4.936 4.556 -0.001 0.000 0.284 252 H C -1.021 174.183 175.328 -0.206 0.000 1.105 252 H CA -0.219 55.722 56.048 -0.179 0.000 1.352 252 H CB 0.158 29.771 29.762 -0.249 0.000 1.423 252 H HN 0.468 nan 8.280 nan 0.000 0.464 253 I N 6.512 126.761 120.570 -0.536 0.000 2.312 253 I HA -0.053 4.116 4.170 -0.001 0.000 0.291 253 I C 0.231 176.005 176.117 -0.573 0.000 1.031 253 I CA -0.363 60.694 61.300 -0.405 0.000 1.293 253 I CB 0.824 38.709 38.000 -0.192 0.000 1.403 253 I HN 0.679 nan 8.210 nan 0.000 0.484 254 Y N 5.322 125.385 120.300 -0.396 0.000 2.206 254 Y HA 0.210 4.759 4.550 -0.001 0.000 0.292 254 Y C 1.265 177.068 175.900 -0.162 0.000 1.123 254 Y CA 1.092 59.027 58.100 -0.275 0.000 1.142 254 Y CB 0.108 38.487 38.460 -0.136 0.000 1.006 254 Y HN 0.674 nan 8.280 nan 0.000 0.518 255 A N -1.014 121.832 122.820 0.043 0.000 2.483 255 A HA 0.406 4.726 4.320 -0.001 0.000 0.294 255 A C -1.539 176.043 177.584 -0.005 0.000 1.077 255 A CA -0.826 51.216 52.037 0.008 0.000 0.633 255 A CB 0.624 19.639 19.000 0.024 0.000 1.318 255 A HN 0.028 nan 8.150 nan 0.000 0.455 256 E N 0.597 120.793 120.200 -0.007 0.000 2.183 256 E HA 0.520 4.869 4.350 -0.001 0.000 0.271 256 E C -0.934 175.664 176.600 -0.003 0.000 0.919 256 E CA -0.774 55.620 56.400 -0.009 0.000 0.781 256 E CB 0.822 30.517 29.700 -0.008 0.000 1.140 256 E HN 0.484 nan 8.360 nan 0.000 0.402 257 I N 6.600 127.165 120.570 -0.009 0.000 2.372 257 I HA -0.011 4.158 4.170 -0.001 0.000 0.298 257 I C 1.268 177.397 176.117 0.021 0.000 1.137 257 I CA 0.154 61.453 61.300 -0.000 0.000 1.314 257 I CB -0.116 37.872 38.000 -0.020 0.000 1.444 257 I HN 0.441 nan 8.210 nan 0.000 0.541 258 V N 3.014 122.946 119.914 0.029 0.000 3.623 258 V HA 0.501 4.620 4.120 -0.001 0.000 0.271 258 V C 0.784 176.912 176.094 0.058 0.000 1.248 258 V CA 0.390 62.712 62.300 0.037 0.000 1.156 258 V CB -0.133 31.708 31.823 0.029 0.000 0.870 258 V HN 0.718 nan 8.190 nan 0.000 0.453 259 G N -0.484 108.362 108.800 0.076 0.000 2.766 259 G HA2 0.522 4.481 3.960 -0.001 0.000 0.297 259 G HA3 0.522 4.481 3.960 -0.001 0.000 0.297 259 G C -2.266 172.735 174.900 0.168 0.000 1.431 259 G CA -0.527 44.635 45.100 0.102 0.000 1.042 259 G HN 0.329 nan 8.290 nan 0.000 0.542 260 Y N 1.497 121.808 120.300 0.018 0.000 2.332 260 Y HA 0.686 5.236 4.550 -0.001 0.000 0.325 260 Y C -0.149 175.766 175.900 0.026 0.000 1.054 260 Y CA -1.266 56.843 58.100 0.013 0.000 1.119 260 Y CB 1.741 40.210 38.460 0.015 0.000 1.168 260 Y HN 0.828 nan 8.280 nan 0.000 0.439 261 G N 3.167 111.838 108.800 -0.215 0.000 2.415 261 G HA2 0.729 4.689 3.960 -0.001 0.000 0.327 261 G HA3 0.729 4.689 3.960 -0.001 0.000 0.327 261 G C -1.633 173.039 174.900 -0.380 0.000 1.182 261 G CA -0.636 44.281 45.100 -0.307 0.000 0.924 261 G HN 1.124 nan 8.290 nan 0.000 0.470 262 A N 1.741 124.355 122.820 -0.344 0.000 2.499 262 A HA 0.811 5.131 4.320 -0.001 0.000 0.280 262 A C 0.089 177.659 177.584 -0.024 0.000 1.135 262 A CA -0.110 51.877 52.037 -0.083 0.000 0.744 262 A CB 1.041 19.981 19.000 -0.101 0.000 1.213 262 A HN 1.412 nan 8.150 nan 0.000 0.434 263 T N -1.408 113.178 114.554 0.053 0.000 2.773 263 T HA 0.869 5.218 4.350 -0.001 0.000 0.278 263 T C -0.120 174.609 174.700 0.047 0.000 1.011 263 T CA -0.581 61.532 62.100 0.022 0.000 1.014 263 T CB 1.801 70.671 68.868 0.003 0.000 1.293 263 T HN 1.142 nan 8.240 nan 0.000 0.554 264 S N -1.130 114.580 115.700 0.017 0.000 2.541 264 S HA 0.465 4.935 4.470 -0.001 0.000 0.280 264 S C -0.304 174.297 174.600 0.001 0.000 1.112 264 S CA -0.609 57.602 58.200 0.019 0.000 0.925 264 S CB 1.700 64.904 63.200 0.007 0.000 1.067 264 S HN 0.714 nan 8.310 nan 0.000 0.479 265 D N 2.477 122.878 120.400 0.002 0.000 2.162 265 D HA 0.175 4.815 4.640 -0.001 0.000 0.205 265 D C 1.496 177.792 176.300 -0.008 0.000 0.964 265 D CA 1.485 55.477 54.000 -0.013 0.000 0.847 265 D CB -0.453 40.338 40.800 -0.015 0.000 0.988 265 D HN 1.011 nan 8.370 nan 0.000 0.480 266 G N 0.149 108.950 108.800 0.002 0.000 2.305 266 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.287 266 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.287 266 G C 0.682 175.581 174.900 -0.003 0.000 1.036 266 G CA 0.959 46.059 45.100 -0.000 0.000 0.887 266 G HN 0.604 nan 8.290 nan 0.000 0.505 267 A N -1.081 121.738 122.820 -0.001 0.000 1.857 267 A HA 0.664 4.983 4.320 -0.001 0.000 0.192 267 A C 0.483 178.066 177.584 -0.002 0.000 2.203 267 A CA 0.851 52.886 52.037 -0.004 0.000 1.377 267 A CB 0.635 19.630 19.000 -0.008 0.000 0.976 267 A HN 0.298 nan 8.150 nan 0.000 0.594 268 D N -0.101 120.299 120.400 -0.001 0.000 2.350 268 D HA 0.525 5.165 4.640 -0.001 0.000 0.238 268 D C -0.592 175.709 176.300 0.001 0.000 0.989 268 D CA -0.298 53.699 54.000 -0.005 0.000 0.921 268 D CB 1.324 42.117 40.800 -0.010 0.000 1.297 268 D HN 0.204 nan 8.370 nan 0.000 0.490 269 M N 0.521 120.109 119.600 -0.020 0.000 2.368 269 M HA 0.099 4.579 4.480 -0.001 0.000 0.311 269 M C 1.412 177.642 176.300 -0.116 0.000 1.168 269 M CA -0.534 54.746 55.300 -0.033 0.000 1.044 269 M CB 1.533 34.101 32.600 -0.053 0.000 1.506 269 M HN 0.461 nan 8.290 nan 0.000 0.475 270 V N -1.929 117.828 119.914 -0.262 0.000 1.811 270 V HA -0.281 3.839 4.120 -0.001 0.000 0.070 270 V C -0.133 175.885 176.094 -0.126 0.000 0.464 270 V CA 1.508 63.473 62.300 -0.557 0.000 1.436 270 V CB -2.735 28.689 31.823 -0.664 0.000 1.695 270 V HN 1.145 nan 8.190 nan 0.000 0.836 271 A N 0.261 123.077 122.820 -0.006 0.000 2.408 271 A HA 0.873 5.193 4.320 -0.001 0.000 0.295 271 A C -2.405 175.208 177.584 0.049 0.000 1.040 271 A CA -1.019 51.044 52.037 0.043 0.000 0.707 271 A CB 1.617 20.625 19.000 0.012 0.000 1.235 271 A HN 0.477 nan 8.150 nan 0.000 0.418 272 P HA 0.208 nan 4.420 nan 0.000 0.278 272 P C 0.707 177.989 177.300 -0.030 0.000 1.238 272 P CA -0.062 63.032 63.100 -0.011 0.000 0.794 272 P CB 1.627 33.297 31.700 -0.050 0.000 0.955 273 S N 0.991 116.656 115.700 -0.058 0.000 2.470 273 S HA 0.227 4.697 4.470 -0.001 0.000 0.222 273 S C 1.574 176.139 174.600 -0.059 0.000 1.024 273 S CA 0.863 59.036 58.200 -0.045 0.000 0.931 273 S CB -0.847 62.330 63.200 -0.038 0.000 0.791 273 S HN 0.715 nan 8.310 nan 0.000 0.513 274 G N 2.007 110.743 108.800 -0.107 0.000 2.579 274 G HA2 -0.388 3.572 3.960 -0.001 0.000 0.222 274 G HA3 -0.388 3.572 3.960 -0.001 0.000 0.222 274 G C 0.929 175.778 174.900 -0.086 0.000 1.201 274 G CA 0.543 45.581 45.100 -0.102 0.000 0.710 274 G HN 0.458 nan 8.290 nan 0.000 0.516 275 E N 1.751 121.915 120.200 -0.059 0.000 2.097 275 E HA -0.128 4.221 4.350 -0.001 0.000 0.196 275 E C 2.609 179.177 176.600 -0.053 0.000 1.000 275 E CA 2.406 58.779 56.400 -0.045 0.000 0.804 275 E CB -0.938 28.742 29.700 -0.034 0.000 0.740 275 E HN 0.677 nan 8.360 nan 0.000 0.454 276 G N 0.543 109.301 108.800 -0.070 0.000 2.422 276 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.218 276 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.218 276 G C 1.690 176.546 174.900 -0.074 0.000 1.146 276 G CA 1.173 46.234 45.100 -0.064 0.000 0.769 276 G HN 0.428 nan 8.290 nan 0.000 0.547 277 A N 0.024 122.754 122.820 -0.150 0.000 1.929 277 A HA 0.192 4.511 4.320 -0.001 0.000 0.216 277 A C 2.564 180.147 177.584 -0.001 0.000 1.176 277 A CA 1.492 53.447 52.037 -0.137 0.000 0.628 277 A CB -0.421 18.339 19.000 -0.399 0.000 0.816 277 A HN 0.218 nan 8.150 nan 0.000 0.444 278 V N 0.057 119.958 119.914 -0.022 0.000 2.295 278 V HA -0.260 3.860 4.120 -0.001 0.000 0.246 278 V C 2.654 178.740 176.094 -0.013 0.000 1.049 278 V CA 2.242 64.538 62.300 -0.006 0.000 1.024 278 V CB -0.755 31.057 31.823 -0.018 0.000 0.648 278 V HN 0.520 nan 8.190 nan 0.000 0.447 279 R N -1.045 119.443 120.500 -0.020 0.000 2.081 279 R HA -0.193 4.146 4.340 -0.001 0.000 0.235 279 R C 2.428 178.719 176.300 -0.016 0.000 1.131 279 R CA 1.720 57.805 56.100 -0.024 0.000 0.960 279 R CB -0.928 29.354 30.300 -0.029 0.000 0.856 279 R HN 0.575 nan 8.270 nan 0.000 0.436 280 C N 0.863 120.168 119.300 0.008 0.000 2.413 280 C HA -0.133 4.327 4.460 -0.001 0.000 0.276 280 C C 2.620 177.629 174.990 0.031 0.000 1.236 280 C CA 1.047 60.081 59.018 0.027 0.000 1.735 280 C CB -0.705 27.095 27.740 0.101 0.000 2.031 280 C HN 0.449 nan 8.230 nan 0.000 0.474 281 M N 0.076 119.708 119.600 0.054 0.000 2.099 281 M HA -0.115 4.365 4.480 -0.001 0.000 0.262 281 M C 2.297 178.590 176.300 -0.012 0.000 1.067 281 M CA 1.793 57.122 55.300 0.050 0.000 1.124 281 M CB -0.566 32.088 32.600 0.089 0.000 1.353 281 M HN 0.321 nan 8.290 nan 0.000 0.410 282 K N 0.377 120.749 120.400 -0.046 0.000 2.103 282 K HA -0.182 4.138 4.320 -0.001 0.000 0.207 282 K C 1.989 178.592 176.600 0.006 0.000 1.048 282 K CA 1.638 57.892 56.287 -0.055 0.000 0.930 282 K CB -0.338 32.130 32.500 -0.052 0.000 0.716 282 K HN 0.366 nan 8.250 nan 0.000 0.444 283 M N 0.210 119.804 119.600 -0.009 0.000 2.213 283 M HA -0.100 4.379 4.480 -0.001 0.000 0.263 283 M C 1.834 178.137 176.300 0.006 0.000 1.062 283 M CA 1.648 56.934 55.300 -0.024 0.000 1.105 283 M CB 0.052 32.606 32.600 -0.076 0.000 1.385 283 M HN 0.119 nan 8.290 nan 0.000 0.417 284 A N -0.166 122.661 122.820 0.011 0.000 2.178 284 A HA 0.105 4.425 4.320 -0.001 0.000 0.211 284 A C 1.844 179.460 177.584 0.054 0.000 1.157 284 A CA 0.430 52.490 52.037 0.038 0.000 0.780 284 A CB -0.287 18.742 19.000 0.047 0.000 0.828 284 A HN 0.578 nan 8.150 nan 0.000 0.476 285 M N -0.800 118.823 119.600 0.038 0.000 2.501 285 M HA 0.073 4.552 4.480 -0.001 0.000 0.261 285 M C 0.475 176.787 176.300 0.020 0.000 1.129 285 M CA 0.325 55.633 55.300 0.012 0.000 1.126 285 M CB -0.588 31.975 32.600 -0.063 0.000 1.359 285 M HN 0.426 nan 8.290 nan 0.000 0.471 286 H N 1.009 120.058 119.070 -0.034 0.000 3.034 286 H HA 0.059 4.615 4.556 -0.000 0.000 0.324 286 H C 1.122 176.442 175.328 -0.013 0.000 1.015 286 H CA 2.013 58.044 56.048 -0.028 0.000 1.429 286 H CB 0.576 30.321 29.762 -0.029 0.000 1.429 286 H HN 0.602 nan 8.280 nan 0.000 0.585 287 G N 3.727 112.415 108.800 -0.187 0.000 2.234 287 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.260 287 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.260 287 G C 0.191 175.068 174.900 -0.039 0.000 0.987 287 G CA 0.310 45.369 45.100 -0.068 0.000 0.625 287 G HN 0.594 nan 8.290 nan 0.000 0.532 288 V N 2.788 122.683 119.914 -0.032 0.000 2.372 288 V HA 0.345 4.465 4.120 -0.001 0.000 0.261 288 V C 1.238 177.318 176.094 -0.023 0.000 1.055 288 V CA 0.354 62.648 62.300 -0.010 0.000 0.930 288 V CB 1.161 32.992 31.823 0.013 0.000 1.031 288 V HN 0.457 nan 8.190 nan 0.000 0.479 289 D N 2.451 122.840 120.400 -0.018 0.000 2.317 289 D HA -0.060 4.579 4.640 -0.001 0.000 0.211 289 D C 1.076 177.375 176.300 -0.002 0.000 0.966 289 D CA 0.506 54.496 54.000 -0.018 0.000 0.876 289 D CB -0.262 40.528 40.800 -0.017 0.000 0.927 289 D HN 0.604 nan 8.370 nan 0.000 0.519 290 T N -1.666 112.893 114.554 0.009 0.000 2.928 290 T HA 0.528 4.877 4.350 -0.001 0.000 0.284 290 T C -2.465 172.258 174.700 0.039 0.000 1.008 290 T CA -1.745 60.367 62.100 0.021 0.000 1.057 290 T CB 1.995 70.876 68.868 0.022 0.000 1.018 290 T HN -0.140 nan 8.240 nan 0.000 0.493 291 P HA 0.349 nan 4.420 nan 0.000 0.276 291 P C -0.455 176.900 177.300 0.091 0.000 1.252 291 P CA -0.792 62.357 63.100 0.082 0.000 0.802 291 P CB 0.548 32.291 31.700 0.072 0.000 1.035 292 I N 2.672 123.326 120.570 0.140 0.000 2.379 292 I HA 0.018 4.188 4.170 -0.001 0.000 0.290 292 I C 1.316 177.449 176.117 0.026 0.000 1.063 292 I CA 0.369 61.724 61.300 0.093 0.000 1.351 292 I CB 0.019 38.098 38.000 0.133 0.000 1.410 292 I HN 0.318 nan 8.210 nan 0.000 0.505 293 D N 5.195 125.619 120.400 0.039 0.000 2.183 293 D HA -0.094 4.546 4.640 -0.001 0.000 0.205 293 D C 0.091 176.441 176.300 0.083 0.000 0.962 293 D CA 1.407 55.435 54.000 0.047 0.000 0.849 293 D CB 0.379 41.212 40.800 0.056 0.000 0.978 293 D HN 0.518 nan 8.370 nan 0.000 0.488 294 Y N 0.167 120.427 120.300 -0.067 0.000 2.504 294 Y HA 0.475 5.025 4.550 -0.000 0.000 0.344 294 Y C -1.944 173.905 175.900 -0.085 0.000 1.023 294 Y CA -1.095 56.954 58.100 -0.086 0.000 1.020 294 Y CB 1.482 39.889 38.460 -0.087 0.000 1.282 294 Y HN -0.247 nan 8.280 nan 0.000 0.454 295 L N 7.062 127.673 121.223 -1.020 0.000 2.342 295 L HA 0.449 4.789 4.340 -0.001 0.000 0.276 295 L C -0.956 175.302 176.870 -1.020 0.000 0.997 295 L CA -0.486 53.874 54.840 -0.801 0.000 0.838 295 L CB 0.801 42.575 42.059 -0.474 0.000 1.224 295 L HN 0.784 nan 8.230 nan 0.000 0.416 296 N N 3.623 121.881 118.700 -0.736 0.000 2.482 296 N HA 0.092 4.831 4.740 -0.001 0.000 0.242 296 N C -0.241 175.170 175.510 -0.165 0.000 1.100 296 N CA -0.218 52.642 53.050 -0.318 0.000 0.946 296 N CB 0.919 39.400 38.487 -0.010 0.000 1.227 296 N HN 0.689 nan 8.380 nan 0.000 0.508 297 S N 2.636 118.276 115.700 -0.099 0.000 2.600 297 S HA -0.010 4.460 4.470 -0.001 0.000 0.265 297 S C 1.242 175.825 174.600 -0.028 0.000 1.325 297 S CA -0.220 57.971 58.200 -0.015 0.000 1.002 297 S CB 1.163 64.435 63.200 0.120 0.000 0.921 297 S HN 0.701 nan 8.310 nan 0.000 0.554 298 H N 1.885 120.857 119.070 -0.162 0.000 2.462 298 H HA 0.174 4.729 4.556 -0.001 0.000 0.292 298 H C 1.609 176.824 175.328 -0.187 0.000 1.049 298 H CA 0.868 56.763 56.048 -0.255 0.000 1.334 298 H CB -1.021 28.522 29.762 -0.365 0.000 1.404 298 H HN 1.020 nan 8.280 nan 0.000 0.544 299 G N 1.198 109.943 108.800 -0.092 0.000 2.330 299 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.267 299 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.267 299 G C 1.144 175.833 174.900 -0.351 0.000 0.358 299 G CA 0.973 45.934 45.100 -0.231 0.000 1.074 299 G HN 0.703 nan 8.290 nan 0.000 0.466 300 T N -1.370 112.995 114.554 -0.315 0.000 3.085 300 T HA 0.254 4.603 4.350 -0.001 0.000 0.263 300 T C 1.500 176.165 174.700 -0.058 0.000 1.127 300 T CA 1.103 63.034 62.100 -0.281 0.000 1.103 300 T CB 0.182 68.926 68.868 -0.207 0.000 0.921 300 T HN 1.809 nan 8.240 nan 0.000 0.510 301 S N 0.651 116.294 115.700 -0.094 0.000 3.533 301 S HA -0.144 4.325 4.470 -0.001 0.000 0.287 301 S C 0.213 174.852 174.600 0.065 0.000 1.241 301 S CA 0.711 58.883 58.200 -0.047 0.000 0.858 301 S CB -2.243 60.944 63.200 -0.020 0.000 1.033 301 S HN 1.322 nan 8.310 nan 0.000 0.619 302 T N -1.076 113.539 114.554 0.101 0.000 2.859 302 T HA 0.698 5.048 4.350 -0.001 0.000 0.281 302 T C -1.264 173.508 174.700 0.119 0.000 1.005 302 T CA -1.498 60.694 62.100 0.155 0.000 1.025 302 T CB 1.702 70.715 68.868 0.241 0.000 0.977 302 T HN -0.056 nan 8.240 nan 0.000 0.458 303 P HA -0.183 nan 4.420 nan 0.000 0.216 303 P C 1.671 179.029 177.300 0.097 0.000 1.167 303 P CA 0.872 64.028 63.100 0.092 0.000 0.914 303 P CB -0.048 31.702 31.700 0.083 0.000 0.793 304 V N -0.522 119.455 119.914 0.106 0.000 2.255 304 V HA -0.112 4.008 4.120 -0.001 0.000 0.243 304 V C 2.621 178.786 176.094 0.119 0.000 1.038 304 V CA 2.439 64.799 62.300 0.100 0.000 1.008 304 V CB -1.945 29.934 31.823 0.093 0.000 0.645 304 V HN 0.180 nan 8.190 nan 0.000 0.449 305 G N 0.078 108.969 108.800 0.152 0.000 2.599 305 G HA2 -0.369 3.591 3.960 -0.001 0.000 0.219 305 G HA3 -0.369 3.591 3.960 -0.001 0.000 0.219 305 G C 1.186 176.193 174.900 0.178 0.000 1.193 305 G CA 1.534 46.742 45.100 0.181 0.000 0.778 305 G HN 0.504 nan 8.290 nan 0.000 0.589 306 D N -0.174 120.318 120.400 0.154 0.000 2.127 306 D HA -0.133 4.506 4.640 -0.001 0.000 0.190 306 D C 2.678 179.137 176.300 0.265 0.000 1.000 306 D CA 1.241 55.354 54.000 0.188 0.000 0.839 306 D CB -0.839 40.029 40.800 0.115 0.000 0.955 306 D HN 0.156 nan 8.370 nan 0.000 0.446 307 V N 0.132 120.160 119.914 0.189 0.000 2.343 307 V HA -0.235 3.885 4.120 -0.001 0.000 0.247 307 V C 2.288 178.447 176.094 0.108 0.000 1.051 307 V CA 1.535 63.919 62.300 0.140 0.000 1.036 307 V CB -0.275 31.609 31.823 0.101 0.000 0.654 307 V HN 0.072 nan 8.190 nan 0.000 0.451 308 K N 0.219 120.679 120.400 0.099 0.000 2.097 308 K HA -0.204 4.115 4.320 -0.001 0.000 0.206 308 K C 2.098 178.735 176.600 0.062 0.000 1.049 308 K CA 1.853 58.177 56.287 0.062 0.000 0.933 308 K CB -0.312 32.213 32.500 0.043 0.000 0.717 308 K HN 0.657 nan 8.250 nan 0.000 0.442 309 E N -0.250 120.023 120.200 0.121 0.000 2.072 309 E HA -0.100 4.249 4.350 -0.001 0.000 0.190 309 E C 1.855 178.541 176.600 0.143 0.000 0.982 309 E CA 0.639 57.137 56.400 0.163 0.000 0.803 309 E CB -0.041 29.852 29.700 0.320 0.000 0.755 309 E HN 0.202 nan 8.360 nan 0.000 0.453 310 L N 0.613 121.913 121.223 0.129 0.000 2.079 310 L HA -0.180 4.159 4.340 -0.001 0.000 0.210 310 L C 2.677 179.576 176.870 0.048 0.000 1.081 310 L CA 1.135 56.008 54.840 0.055 0.000 0.752 310 L CB -0.560 41.498 42.059 -0.003 0.000 0.896 310 L HN 0.281 nan 8.230 nan 0.000 0.433 311 A N -0.007 122.844 122.820 0.052 0.000 1.877 311 A HA -0.159 4.161 4.320 -0.001 0.000 0.216 311 A C 2.531 180.145 177.584 0.050 0.000 1.186 311 A CA 1.677 53.738 52.037 0.040 0.000 0.620 311 A CB -0.642 18.377 19.000 0.031 0.000 0.822 311 A HN 0.407 nan 8.150 nan 0.000 0.443 312 A N -0.217 122.635 122.820 0.054 0.000 1.933 312 A HA -0.081 4.239 4.320 -0.001 0.000 0.218 312 A C 2.144 179.796 177.584 0.114 0.000 1.175 312 A CA 1.498 53.569 52.037 0.057 0.000 0.628 312 A CB -0.573 18.447 19.000 0.033 0.000 0.814 312 A HN 0.501 nan 8.150 nan 0.000 0.444 313 I N -0.925 119.736 120.570 0.151 0.000 2.142 313 I HA -0.288 3.881 4.170 -0.001 0.000 0.240 313 I C 2.823 179.105 176.117 0.275 0.000 1.078 313 I CA 1.429 62.875 61.300 0.244 0.000 1.343 313 I CB -0.341 37.730 38.000 0.119 0.000 1.046 313 I HN 0.335 nan 8.210 nan 0.000 0.405 314 R N 0.406 120.988 120.500 0.138 0.000 2.094 314 R HA -0.274 4.066 4.340 -0.001 0.000 0.239 314 R C 2.235 178.606 176.300 0.119 0.000 1.137 314 R CA 2.110 58.277 56.100 0.112 0.000 0.943 314 R CB -0.537 29.794 30.300 0.053 0.000 0.850 314 R HN 0.411 nan 8.270 nan 0.000 0.433 315 E N 0.439 120.687 120.200 0.080 0.000 2.070 315 E HA -0.196 4.154 4.350 -0.001 0.000 0.197 315 E C 1.945 178.552 176.600 0.011 0.000 1.004 315 E CA 1.575 57.999 56.400 0.039 0.000 0.805 315 E CB 0.085 29.797 29.700 0.020 0.000 0.744 315 E HN 0.103 nan 8.360 nan 0.000 0.451 316 V N -0.032 119.886 119.914 0.006 0.000 2.343 316 V HA -0.217 3.902 4.120 -0.001 0.000 0.247 316 V C 1.696 177.562 176.094 -0.379 0.000 1.051 316 V CA 1.734 63.915 62.300 -0.198 0.000 1.036 316 V CB -0.410 31.238 31.823 -0.291 0.000 0.654 316 V HN 0.307 nan 8.190 nan 0.000 0.451 317 F N -0.442 119.506 119.950 -0.003 0.000 2.746 317 F HA 0.478 5.004 4.527 -0.001 0.000 0.297 317 F C 1.840 177.635 175.800 -0.007 0.000 1.113 317 F CA 0.554 58.550 58.000 -0.006 0.000 1.367 317 F CB -0.518 38.476 39.000 -0.011 0.000 1.111 317 F HN 0.251 nan 8.300 nan 0.000 0.590 318 G N 0.725 109.601 108.800 0.127 0.000 2.602 318 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.310 318 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.310 318 G C 0.534 175.481 174.900 0.077 0.000 1.183 318 G CA 0.700 45.844 45.100 0.073 0.000 0.979 318 G HN 0.248 nan 8.290 nan 0.000 0.545 319 D N 1.446 121.881 120.400 0.058 0.000 2.395 319 D HA 0.226 4.865 4.640 -0.001 0.000 0.226 319 D C 0.786 177.116 176.300 0.051 0.000 1.146 319 D CA 0.411 54.438 54.000 0.045 0.000 0.830 319 D CB 0.244 41.061 40.800 0.028 0.000 0.958 319 D HN 0.385 nan 8.370 nan 0.000 0.501 320 K N 1.353 121.805 120.400 0.085 0.000 2.920 320 K HA 0.104 4.424 4.320 -0.001 0.000 0.175 320 K C -0.676 175.993 176.600 0.116 0.000 1.099 320 K CA -0.311 56.028 56.287 0.087 0.000 0.939 320 K CB 0.438 32.996 32.500 0.097 0.000 1.148 320 K HN -0.055 nan 8.250 nan 0.000 0.613 321 S N 1.969 117.686 115.700 0.029 0.000 2.562 321 S HA 0.555 5.024 4.470 -0.001 0.000 0.275 321 S C -1.845 172.636 174.600 -0.198 0.000 1.281 321 S CA -0.889 57.248 58.200 -0.105 0.000 1.045 321 S CB 0.957 64.101 63.200 -0.093 0.000 0.962 321 S HN 0.372 nan 8.310 nan 0.000 0.503 322 P HA 0.417 nan 4.420 nan 0.000 0.278 322 P C -0.630 176.547 177.300 -0.206 0.000 1.266 322 P CA -0.677 62.249 63.100 -0.290 0.000 0.807 322 P CB 0.467 31.912 31.700 -0.424 0.000 1.094 323 A N 0.992 123.755 122.820 -0.096 0.000 2.477 323 A HA 0.453 4.773 4.320 -0.001 0.000 0.246 323 A C 0.231 177.780 177.584 -0.059 0.000 1.078 323 A CA -0.071 51.957 52.037 -0.015 0.000 0.770 323 A CB -0.751 18.308 19.000 0.098 0.000 1.011 323 A HN 0.459 nan 8.150 nan 0.000 0.494 324 I N 1.399 121.940 120.570 -0.048 0.000 2.689 324 I HA 0.597 4.767 4.170 -0.001 0.000 0.299 324 I C 0.082 176.248 176.117 0.082 0.000 1.059 324 I CA -0.287 60.956 61.300 -0.095 0.000 1.055 324 I CB 2.551 40.461 38.000 -0.150 0.000 1.243 324 I HN 0.762 nan 8.210 nan 0.000 0.425 325 S N 3.534 119.316 115.700 0.136 0.000 2.543 325 S HA 0.791 5.261 4.470 -0.001 0.000 0.273 325 S C -1.227 173.490 174.600 0.194 0.000 1.152 325 S CA -0.718 57.622 58.200 0.234 0.000 0.910 325 S CB 1.807 65.190 63.200 0.305 0.000 1.105 325 S HN 0.831 nan 8.310 nan 0.000 0.465 326 A N 2.725 125.646 122.820 0.168 0.000 2.412 326 A HA 0.588 4.907 4.320 -0.001 0.000 0.334 326 A C 1.152 178.736 177.584 0.001 0.000 1.419 326 A CA -0.185 51.874 52.037 0.038 0.000 0.930 326 A CB -0.238 18.685 19.000 -0.128 0.000 1.149 326 A HN 1.452 nan 8.150 nan 0.000 0.515 327 T N -0.361 114.208 114.554 0.025 0.000 3.155 327 T HA -0.057 4.292 4.350 -0.001 0.000 0.264 327 T C 1.300 175.969 174.700 -0.052 0.000 1.160 327 T CA 1.122 63.211 62.100 -0.019 0.000 1.075 327 T CB -0.264 68.594 68.868 -0.017 0.000 0.921 327 T HN 0.612 nan 8.240 nan 0.000 0.533 328 K N 0.856 121.211 120.400 -0.074 0.000 2.217 328 K HA 0.224 4.543 4.320 -0.001 0.000 0.202 328 K C 2.595 179.151 176.600 -0.073 0.000 1.051 328 K CA 0.794 57.024 56.287 -0.095 0.000 0.952 328 K CB -0.290 32.093 32.500 -0.197 0.000 0.736 328 K HN 0.466 nan 8.250 nan 0.000 0.453 329 A N 0.751 123.521 122.820 -0.083 0.000 2.070 329 A HA -0.131 4.188 4.320 -0.001 0.000 0.220 329 A C 1.936 179.492 177.584 -0.047 0.000 1.159 329 A CA 1.321 53.316 52.037 -0.069 0.000 0.656 329 A CB -0.223 18.736 19.000 -0.069 0.000 0.800 329 A HN 0.202 nan 8.150 nan 0.000 0.453 330 M N -1.591 117.977 119.600 -0.053 0.000 2.556 330 M HA -0.037 4.443 4.480 -0.001 0.000 0.259 330 M C 2.448 178.720 176.300 -0.046 0.000 1.175 330 M CA 1.677 56.943 55.300 -0.056 0.000 1.202 330 M CB 0.016 32.562 32.600 -0.091 0.000 1.298 330 M HN 0.581 nan 8.290 nan 0.000 0.492 331 T N -2.023 112.499 114.554 -0.052 0.000 3.035 331 T HA 0.380 4.730 4.350 -0.001 0.000 0.259 331 T C 1.016 175.728 174.700 0.020 0.000 1.078 331 T CA 0.633 62.722 62.100 -0.018 0.000 1.132 331 T CB -0.088 68.787 68.868 0.011 0.000 0.900 331 T HN 0.576 nan 8.240 nan 0.000 0.480 332 G N 0.817 109.631 108.800 0.024 0.000 2.710 332 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.668 332 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.668 332 G C -1.010 173.932 174.900 0.069 0.000 1.320 332 G CA -0.375 44.769 45.100 0.074 0.000 0.860 332 G HN 0.780 nan 8.290 nan 0.000 0.538 333 H N 0.843 119.898 119.070 -0.024 0.000 2.685 333 H HA 0.593 5.149 4.556 -0.001 0.000 0.286 333 H C 1.613 176.844 175.328 -0.161 0.000 1.102 333 H CA -0.034 55.893 56.048 -0.201 0.000 1.254 333 H CB 0.629 30.065 29.762 -0.544 0.000 1.397 333 H HN 0.808 nan 8.280 nan 0.000 0.473 334 S N 4.870 120.657 115.700 0.146 0.000 2.754 334 S HA 0.114 4.584 4.470 -0.001 0.000 0.223 334 S C 1.327 175.914 174.600 -0.023 0.000 0.951 334 S CA 0.035 58.250 58.200 0.026 0.000 0.954 334 S CB -0.609 62.593 63.200 0.004 0.000 0.780 334 S HN 0.719 nan 8.310 nan 0.000 0.509 335 L N -0.211 120.944 121.223 -0.114 0.000 5.323 335 L HA -0.339 4.000 4.340 -0.001 0.000 0.053 335 L C 2.207 179.072 176.870 -0.009 0.000 3.097 335 L CA 1.409 56.090 54.840 -0.264 0.000 1.447 335 L CB -2.100 39.779 42.059 -0.300 0.000 2.992 335 L HN 0.420 nan 8.230 nan 0.000 0.968 336 G N -1.081 107.713 108.800 -0.010 0.000 2.470 336 G HA2 0.089 4.049 3.960 -0.001 0.000 0.220 336 G HA3 0.089 4.049 3.960 -0.001 0.000 0.220 336 G C 1.259 176.171 174.900 0.020 0.000 1.121 336 G CA 1.239 46.355 45.100 0.026 0.000 0.766 336 G HN 0.856 nan 8.290 nan 0.000 0.553 337 A N 0.361 123.188 122.820 0.012 0.000 2.195 337 A HA 0.641 4.961 4.320 -0.001 0.000 0.210 337 A C 2.567 180.125 177.584 -0.043 0.000 1.165 337 A CA 1.264 53.295 52.037 -0.010 0.000 0.806 337 A CB -0.224 18.774 19.000 -0.004 0.000 0.847 337 A HN 0.517 nan 8.150 nan 0.000 0.482 338 A N 0.212 123.025 122.820 -0.012 0.000 1.917 338 A HA 0.025 4.345 4.320 -0.001 0.000 0.219 338 A C 2.349 179.874 177.584 -0.100 0.000 1.182 338 A CA 2.052 54.065 52.037 -0.041 0.000 0.633 338 A CB -1.342 17.663 19.000 0.007 0.000 0.819 338 A HN 0.693 nan 8.150 nan 0.000 0.448 339 G N -0.962 107.787 108.800 -0.085 0.000 2.459 339 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.217 339 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.217 339 G C 1.666 176.472 174.900 -0.156 0.000 1.183 339 G CA 1.380 46.404 45.100 -0.125 0.000 0.776 339 G HN 0.628 nan 8.290 nan 0.000 0.552 340 V N 0.055 119.881 119.914 -0.146 0.000 2.453 340 V HA -0.107 4.012 4.120 -0.001 0.000 0.247 340 V C 2.728 178.667 176.094 -0.257 0.000 1.048 340 V CA 2.484 64.683 62.300 -0.169 0.000 1.049 340 V CB -0.249 31.500 31.823 -0.123 0.000 0.672 340 V HN 0.497 nan 8.190 nan 0.000 0.457 341 Q N -0.431 119.188 119.800 -0.301 0.000 2.084 341 Q HA -0.265 4.075 4.340 -0.001 0.000 0.202 341 Q C 2.170 177.574 176.000 -0.993 0.000 0.978 341 Q CA 2.285 57.765 55.803 -0.538 0.000 0.844 341 Q CB -0.106 28.392 28.738 -0.399 0.000 0.898 341 Q HN 0.719 nan 8.270 nan 0.000 0.426 342 E N -0.115 119.714 120.200 -0.618 0.000 2.285 342 E HA -0.082 4.268 4.350 -0.001 0.000 0.194 342 E C 1.760 178.206 176.600 -0.256 0.000 0.997 342 E CA 0.615 56.756 56.400 -0.432 0.000 0.845 342 E CB 0.054 29.676 29.700 -0.130 0.000 0.782 342 E HN 0.325 nan 8.360 nan 0.000 0.491 343 A N 0.820 123.490 122.820 -0.249 0.000 1.930 343 A HA -0.124 4.196 4.320 -0.001 0.000 0.217 343 A C 2.089 179.568 177.584 -0.175 0.000 1.175 343 A CA 0.826 52.764 52.037 -0.164 0.000 0.627 343 A CB -0.363 18.543 19.000 -0.158 0.000 0.815 343 A HN 0.147 nan 8.150 nan 0.000 0.443 344 I N -1.403 119.004 120.570 -0.272 0.000 2.315 344 I HA -0.237 3.932 4.170 -0.001 0.000 0.248 344 I C 2.200 178.267 176.117 -0.084 0.000 1.117 344 I CA 1.059 62.219 61.300 -0.233 0.000 1.404 344 I CB -0.309 37.528 38.000 -0.271 0.000 1.071 344 I HN 0.369 nan 8.210 nan 0.000 0.419 345 Y N 0.535 120.808 120.300 -0.045 0.000 2.200 345 Y HA -0.166 4.383 4.550 -0.001 0.000 0.290 345 Y C 2.914 178.781 175.900 -0.054 0.000 1.137 345 Y CA 0.661 58.745 58.100 -0.028 0.000 1.163 345 Y CB -1.317 37.135 38.460 -0.014 0.000 0.988 345 Y HN 0.089 nan 8.280 nan 0.000 0.518 346 S N -0.157 115.613 115.700 0.116 0.000 2.368 346 S HA -0.121 4.348 4.470 -0.001 0.000 0.225 346 S C 2.025 176.630 174.600 0.009 0.000 1.030 346 S CA 0.910 59.161 58.200 0.085 0.000 0.999 346 S CB -0.471 62.794 63.200 0.108 0.000 0.844 346 S HN 0.176 nan 8.310 nan 0.000 0.459 347 L N 1.504 122.715 121.223 -0.020 0.000 2.083 347 L HA 0.064 4.404 4.340 -0.001 0.000 0.209 347 L C 2.027 178.911 176.870 0.024 0.000 1.083 347 L CA 1.401 56.215 54.840 -0.042 0.000 0.752 347 L CB -1.141 40.809 42.059 -0.182 0.000 0.899 347 L HN 0.318 nan 8.230 nan 0.000 0.433 348 L N -1.936 119.329 121.223 0.070 0.000 2.093 348 L HA -0.199 4.141 4.340 -0.001 0.000 0.208 348 L C 2.435 179.449 176.870 0.239 0.000 1.085 348 L CA 0.991 55.983 54.840 0.254 0.000 0.755 348 L CB -0.304 41.931 42.059 0.293 0.000 0.904 348 L HN 0.265 nan 8.230 nan 0.000 0.435 349 M N -0.995 118.546 119.600 -0.099 0.000 2.254 349 M HA -0.190 4.290 4.480 -0.001 0.000 0.265 349 M C 2.257 178.438 176.300 -0.198 0.000 1.066 349 M CA 1.457 56.455 55.300 -0.504 0.000 1.123 349 M CB -0.113 31.979 32.600 -0.847 0.000 1.388 349 M HN 0.246 nan 8.290 nan 0.000 0.425 350 L N -0.065 121.110 121.223 -0.080 0.000 2.056 350 L HA -0.172 4.168 4.340 -0.001 0.000 0.207 350 L C 2.515 179.386 176.870 0.003 0.000 1.078 350 L CA 1.400 56.226 54.840 -0.023 0.000 0.749 350 L CB -0.323 41.741 42.059 0.009 0.000 0.901 350 L HN 0.320 nan 8.230 nan 0.000 0.433 351 E N -0.706 119.503 120.200 0.015 0.000 2.072 351 E HA -0.173 4.176 4.350 -0.001 0.000 0.190 351 E C 1.679 178.127 176.600 -0.252 0.000 0.982 351 E CA 0.966 57.309 56.400 -0.095 0.000 0.803 351 E CB 0.080 29.725 29.700 -0.091 0.000 0.755 351 E HN 0.619 nan 8.360 nan 0.000 0.453 352 H N -0.896 118.285 119.070 0.186 0.000 2.551 352 H HA 0.192 4.748 4.556 -0.001 0.000 0.271 352 H C 0.567 176.031 175.328 0.227 0.000 0.984 352 H CA 0.651 56.826 56.048 0.211 0.000 1.164 352 H CB 0.737 30.662 29.762 0.273 0.000 1.437 352 H HN 0.157 nan 8.280 nan 0.000 0.550 353 G N 2.002 110.932 108.800 0.217 0.000 2.415 353 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.283 353 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.283 353 G C -0.326 174.724 174.900 0.251 0.000 1.014 353 G CA 0.630 45.821 45.100 0.153 0.000 1.323 353 G HN 0.531 nan 8.290 nan 0.000 0.502 354 F N -1.178 118.754 119.950 -0.029 0.000 2.769 354 F HA 0.746 5.273 4.527 -0.001 0.000 0.313 354 F C -1.137 174.565 175.800 -0.163 0.000 1.146 354 F CA -2.092 55.868 58.000 -0.066 0.000 0.934 354 F CB 0.952 39.927 39.000 -0.042 0.000 1.283 354 F HN 0.140 nan 8.300 nan 0.000 0.443 355 I N 3.033 123.443 120.570 -0.266 0.000 2.362 355 I HA 0.638 4.807 4.170 -0.001 0.000 0.289 355 I C 0.215 176.209 176.117 -0.204 0.000 0.994 355 I CA -1.016 59.979 61.300 -0.508 0.000 1.158 355 I CB 1.638 39.469 38.000 -0.283 0.000 1.315 355 I HN 0.961 nan 8.210 nan 0.000 0.451 356 A N 9.239 131.855 122.820 -0.340 0.000 2.425 356 A HA 0.501 4.820 4.320 -0.001 0.000 0.249 356 A C -2.350 175.246 177.584 0.021 0.000 1.084 356 A CA -1.012 51.041 52.037 0.026 0.000 0.781 356 A CB -0.330 18.659 19.000 -0.019 0.000 1.019 356 A HN 0.417 nan 8.150 nan 0.000 0.490 357 P HA 0.163 nan 4.420 nan 0.000 0.277 357 P C -0.371 176.963 177.300 0.056 0.000 1.240 357 P CA -0.306 62.827 63.100 0.054 0.000 0.798 357 P CB 1.157 32.882 31.700 0.042 0.000 0.979 358 S N 2.049 117.795 115.700 0.078 0.000 2.464 358 S HA 0.365 4.835 4.470 -0.001 0.000 0.313 358 S C 0.597 175.233 174.600 0.059 0.000 1.078 358 S CA -0.773 57.480 58.200 0.089 0.000 1.096 358 S CB -1.374 61.928 63.200 0.169 0.000 1.032 358 S HN 0.341 nan 8.310 nan 0.000 0.498 359 I N 1.711 122.295 120.570 0.024 0.000 3.021 359 I HA 0.474 4.644 4.170 -0.001 0.000 0.303 359 I C 0.371 176.487 176.117 -0.002 0.000 1.044 359 I CA -0.461 60.844 61.300 0.009 0.000 1.266 359 I CB 0.376 38.371 38.000 -0.007 0.000 1.447 359 I HN 0.487 nan 8.210 nan 0.000 0.593 360 N N 1.374 120.069 118.700 -0.007 0.000 2.800 360 N HA -0.171 4.569 4.740 -0.001 0.000 0.250 360 N C -0.382 175.126 175.510 -0.003 0.000 1.078 360 N CA 1.044 54.079 53.050 -0.024 0.000 0.804 360 N CB -1.525 36.921 38.487 -0.068 0.000 1.135 360 N HN 0.645 nan 8.380 nan 0.000 0.565 361 I N 1.356 121.944 120.570 0.031 0.000 2.213 361 I HA 0.022 4.192 4.170 -0.001 0.000 0.295 361 I C 1.435 177.586 176.117 0.058 0.000 1.172 361 I CA 0.060 61.397 61.300 0.061 0.000 1.443 361 I CB 0.033 38.088 38.000 0.091 0.000 1.491 361 I HN 0.057 nan 8.210 nan 0.000 0.652 362 E N 2.344 122.580 120.200 0.061 0.000 2.208 362 E HA -0.138 4.212 4.350 -0.001 0.000 0.193 362 E C 1.447 178.101 176.600 0.090 0.000 0.988 362 E CA 0.941 57.381 56.400 0.067 0.000 0.828 362 E CB 0.458 30.196 29.700 0.064 0.000 0.763 362 E HN 0.633 nan 8.360 nan 0.000 0.478 363 E N -0.520 119.750 120.200 0.116 0.000 2.476 363 E HA 0.166 4.516 4.350 -0.001 0.000 0.193 363 E C -0.186 176.457 176.600 0.073 0.000 0.966 363 E CA -0.051 56.415 56.400 0.109 0.000 1.114 363 E CB 1.100 30.895 29.700 0.158 0.000 1.151 363 E HN -0.085 nan 8.360 nan 0.000 0.487 364 L N 2.802 124.067 121.223 0.070 0.000 1.391 364 L HA -0.100 4.239 4.340 -0.001 0.000 0.578 364 L C -1.216 175.678 176.870 0.039 0.000 0.998 364 L CA -0.107 54.770 54.840 0.062 0.000 1.230 364 L CB -0.380 41.704 42.059 0.043 0.000 2.087 364 L HN 0.315 nan 8.230 nan 0.000 1.081 365 D N 3.198 123.629 120.400 0.052 0.000 2.472 365 D HA 0.041 4.681 4.640 -0.001 0.000 0.237 365 D C 1.623 177.934 176.300 0.017 0.000 1.141 365 D CA 0.848 54.867 54.000 0.031 0.000 0.875 365 D CB 0.832 41.671 40.800 0.064 0.000 1.192 365 D HN 0.637 nan 8.370 nan 0.000 0.450 366 E N 2.106 122.310 120.200 0.008 0.000 2.209 366 E HA -0.310 4.039 4.350 -0.001 0.000 0.196 366 E C 0.702 177.304 176.600 0.003 0.000 0.993 366 E CA 1.056 57.459 56.400 0.005 0.000 0.819 366 E CB -0.167 29.536 29.700 0.005 0.000 0.745 366 E HN 0.634 nan 8.360 nan 0.000 0.477 367 Q N -0.040 119.766 119.800 0.010 0.000 2.329 367 Q HA 0.200 4.540 4.340 -0.001 0.000 0.208 367 Q C 0.868 176.858 176.000 -0.016 0.000 0.934 367 Q CA 0.492 56.299 55.803 0.008 0.000 0.951 367 Q CB 0.729 29.483 28.738 0.027 0.000 1.017 367 Q HN 0.430 nan 8.270 nan 0.000 0.490 368 A N -0.375 122.421 122.820 -0.039 0.000 2.551 368 A HA 0.503 4.823 4.320 -0.001 0.000 0.252 368 A C 1.707 179.234 177.584 -0.094 0.000 1.199 368 A CA 0.519 52.486 52.037 -0.117 0.000 0.972 368 A CB 0.189 19.089 19.000 -0.167 0.000 1.153 368 A HN 0.287 nan 8.150 nan 0.000 0.559 369 A N 0.563 123.354 122.820 -0.048 0.000 1.941 369 A HA -0.110 4.210 4.320 -0.001 0.000 0.220 369 A C 2.155 179.716 177.584 -0.038 0.000 1.407 369 A CA 2.210 54.227 52.037 -0.033 0.000 0.766 369 A CB -1.531 17.458 19.000 -0.018 0.000 0.838 369 A HN 1.179 nan 8.150 nan 0.000 0.482 370 G N -1.204 107.575 108.800 -0.035 0.000 3.061 370 G HA2 0.379 4.339 3.960 -0.001 0.000 0.208 370 G HA3 0.379 4.339 3.960 -0.001 0.000 0.208 370 G C 0.389 175.261 174.900 -0.047 0.000 1.175 370 G CA -0.117 44.964 45.100 -0.032 0.000 0.812 370 G HN 0.374 nan 8.290 nan 0.000 0.523 371 L N -0.304 120.875 121.223 -0.074 0.000 2.399 371 L HA 0.266 4.605 4.340 -0.001 0.000 0.265 371 L C 0.655 177.472 176.870 -0.088 0.000 1.089 371 L CA -0.637 54.144 54.840 -0.098 0.000 0.802 371 L CB 1.393 43.359 42.059 -0.155 0.000 1.180 371 L HN 0.082 nan 8.230 nan 0.000 0.454 372 N N 3.177 121.825 118.700 -0.085 0.000 3.322 372 N HA 0.106 4.846 4.740 -0.001 0.000 0.290 372 N C -0.512 174.964 175.510 -0.057 0.000 1.297 372 N CA -0.479 52.537 53.050 -0.057 0.000 1.167 372 N CB 0.403 38.865 38.487 -0.041 0.000 1.434 372 N HN 0.441 nan 8.380 nan 0.000 0.526 373 I N 1.470 121.995 120.570 -0.074 0.000 2.379 373 I HA 0.184 4.353 4.170 -0.001 0.000 0.290 373 I C -0.470 175.658 176.117 0.019 0.000 1.063 373 I CA -0.166 61.107 61.300 -0.045 0.000 1.351 373 I CB 0.790 38.723 38.000 -0.112 0.000 1.410 373 I HN -0.128 nan 8.210 nan 0.000 0.505 374 V N 7.516 127.464 119.914 0.057 0.000 2.485 374 V HA 0.067 4.187 4.120 -0.001 0.000 0.287 374 V C 1.686 177.819 176.094 0.065 0.000 1.022 374 V CA 0.570 62.906 62.300 0.060 0.000 1.067 374 V CB 0.535 32.401 31.823 0.072 0.000 0.967 374 V HN 0.922 nan 8.190 nan 0.000 0.479 375 T N 0.627 115.210 114.554 0.049 0.000 3.085 375 T HA 0.376 4.725 4.350 -0.001 0.000 0.264 375 T C 0.163 174.885 174.700 0.037 0.000 1.019 375 T CA -0.279 61.850 62.100 0.047 0.000 0.910 375 T CB 0.110 69.004 68.868 0.042 0.000 1.059 375 T HN 0.600 nan 8.240 nan 0.000 0.542 376 E N 0.883 121.105 120.200 0.036 0.000 2.308 376 E HA 0.469 4.818 4.350 -0.001 0.000 0.275 376 E C -0.968 175.657 176.600 0.042 0.000 0.890 376 E CA -0.522 55.896 56.400 0.030 0.000 0.754 376 E CB 1.798 31.511 29.700 0.022 0.000 1.207 376 E HN -0.003 nan 8.360 nan 0.000 0.426 377 T N 1.947 116.527 114.554 0.043 0.000 2.905 377 T HA 0.203 4.553 4.350 -0.001 0.000 0.299 377 T C -0.237 174.507 174.700 0.073 0.000 1.024 377 T CA 0.721 62.869 62.100 0.080 0.000 1.151 377 T CB 0.134 69.016 68.868 0.024 0.000 0.987 377 T HN 0.370 nan 8.240 nan 0.000 0.535 378 T N 3.549 118.173 114.554 0.116 0.000 2.971 378 T HA 0.290 4.639 4.350 -0.001 0.000 0.304 378 T C -1.204 173.566 174.700 0.117 0.000 1.038 378 T CA -1.035 61.114 62.100 0.081 0.000 1.007 378 T CB 0.968 69.865 68.868 0.048 0.000 1.055 378 T HN 0.380 nan 8.240 nan 0.000 0.451 379 D N 3.179 123.633 120.400 0.091 0.000 2.389 379 D HA 0.433 5.073 4.640 -0.001 0.000 0.247 379 D C 0.243 176.585 176.300 0.070 0.000 1.128 379 D CA 0.371 54.432 54.000 0.102 0.000 0.884 379 D CB 0.716 41.554 40.800 0.063 0.000 1.194 379 D HN 0.537 nan 8.370 nan 0.000 0.441 380 R N 1.608 122.151 120.500 0.071 0.000 2.808 380 R HA 0.034 4.373 4.340 -0.001 0.000 0.254 380 R C -1.150 175.167 176.300 0.029 0.000 1.145 380 R CA -0.497 55.625 56.100 0.037 0.000 1.066 380 R CB 0.999 31.309 30.300 0.016 0.000 1.268 380 R HN 0.330 nan 8.270 nan 0.000 0.447 381 E N 4.869 125.085 120.200 0.027 0.000 2.341 381 E HA 0.055 4.404 4.350 -0.001 0.000 0.256 381 E C -0.505 176.103 176.600 0.013 0.000 1.125 381 E CA 0.336 56.749 56.400 0.022 0.000 0.939 381 E CB 0.456 30.168 29.700 0.020 0.000 0.991 381 E HN 0.315 nan 8.360 nan 0.000 0.458 382 L N 2.877 124.104 121.223 0.005 0.000 2.344 382 L HA 0.318 4.658 4.340 -0.001 0.000 0.272 382 L C 1.074 177.952 176.870 0.012 0.000 1.035 382 L CA -0.415 54.428 54.840 0.006 0.000 0.807 382 L CB 1.764 43.813 42.059 -0.016 0.000 1.237 382 L HN 0.504 nan 8.230 nan 0.000 0.442 383 T N -1.763 112.804 114.554 0.021 0.000 3.115 383 T HA 0.097 4.447 4.350 -0.001 0.000 0.256 383 T C 0.189 174.904 174.700 0.026 0.000 0.970 383 T CA 0.225 62.337 62.100 0.020 0.000 1.010 383 T CB 0.720 69.599 68.868 0.018 0.000 1.151 383 T HN 0.583 nan 8.240 nan 0.000 0.479 384 T N 3.088 117.665 114.554 0.037 0.000 2.881 384 T HA 0.680 5.030 4.350 -0.001 0.000 0.291 384 T C -0.735 174.000 174.700 0.059 0.000 0.990 384 T CA -0.714 61.412 62.100 0.044 0.000 0.976 384 T CB 2.012 70.907 68.868 0.045 0.000 0.970 384 T HN 0.244 nan 8.240 nan 0.000 0.438 385 V N 1.183 121.134 119.914 0.061 0.000 2.769 385 V HA 0.849 4.969 4.120 -0.001 0.000 0.312 385 V C -0.568 175.545 176.094 0.032 0.000 1.061 385 V CA -1.224 61.122 62.300 0.076 0.000 0.931 385 V CB 2.086 33.999 31.823 0.150 0.000 1.010 385 V HN 0.989 nan 8.190 nan 0.000 0.433 386 M N 3.209 122.795 119.600 -0.025 0.000 2.393 386 M HA 0.732 5.211 4.480 -0.001 0.000 0.316 386 M C -0.970 175.276 176.300 -0.090 0.000 1.087 386 M CA -0.237 55.048 55.300 -0.026 0.000 0.937 386 M CB 2.142 34.758 32.600 0.026 0.000 1.668 386 M HN 0.931 nan 8.290 nan 0.000 0.438 387 S N 3.395 119.056 115.700 -0.065 0.000 2.561 387 S HA 0.579 5.049 4.470 -0.001 0.000 0.303 387 S C -1.256 173.263 174.600 -0.134 0.000 1.110 387 S CA -0.760 57.379 58.200 -0.100 0.000 1.034 387 S CB 0.964 64.115 63.200 -0.082 0.000 1.010 387 S HN 0.853 nan 8.310 nan 0.000 0.482 388 N N 2.047 120.629 118.700 -0.198 0.000 2.443 388 N HA 0.569 5.309 4.740 -0.001 0.000 0.295 388 N C -1.287 173.847 175.510 -0.628 0.000 1.076 388 N CA -0.334 52.477 53.050 -0.398 0.000 0.919 388 N CB 1.868 40.117 38.487 -0.395 0.000 1.176 388 N HN 0.454 nan 8.380 nan 0.000 0.487 389 S N 1.257 116.399 115.700 -0.929 0.000 2.619 389 S HA 0.644 5.114 4.470 -0.001 0.000 0.280 389 S C -1.422 172.529 174.600 -1.081 0.000 1.150 389 S CA -0.547 57.084 58.200 -0.947 0.000 0.978 389 S CB 0.488 63.416 63.200 -0.453 0.000 1.041 389 S HN 0.308 nan 8.310 nan 0.000 0.485 390 F N 0.694 120.078 119.950 -0.942 0.000 2.603 390 F HA 0.915 5.442 4.527 -0.000 0.000 0.317 390 F C 0.689 176.328 175.800 -0.268 0.000 1.066 390 F CA -0.934 56.804 58.000 -0.437 0.000 0.941 390 F CB 1.862 40.705 39.000 -0.262 0.000 1.291 390 F HN 0.668 nan 8.300 nan 0.000 0.472 391 G N 0.047 108.956 108.800 0.181 0.000 2.690 391 G HA2 0.569 4.529 3.960 -0.001 0.000 0.291 391 G HA3 0.569 4.529 3.960 -0.001 0.000 0.291 391 G C -1.696 173.379 174.900 0.292 0.000 1.403 391 G CA -0.773 44.417 45.100 0.150 0.000 0.864 391 G HN 0.215 nan 8.290 nan 0.000 0.480 392 F N 0.543 120.604 119.950 0.185 0.000 2.629 392 F HA 0.373 4.899 4.527 -0.000 0.000 0.369 392 F C 1.699 177.563 175.800 0.106 0.000 1.125 392 F CA 1.119 59.206 58.000 0.146 0.000 1.330 392 F CB 0.681 39.768 39.000 0.146 0.000 1.071 392 F HN 1.239 nan 8.300 nan 0.000 0.595 393 G N 0.615 109.576 108.800 0.267 0.000 2.176 393 G HA2 0.086 4.046 3.960 -0.001 0.000 0.232 393 G HA3 0.086 4.046 3.960 -0.001 0.000 0.232 393 G C 0.797 175.767 174.900 0.118 0.000 0.986 393 G CA 0.183 45.374 45.100 0.152 0.000 0.643 393 G HN 1.893 nan 8.290 nan 0.000 0.522 394 G N -0.948 107.934 108.800 0.136 0.000 2.272 394 G HA2 0.117 4.077 3.960 -0.001 0.000 0.280 394 G HA3 0.117 4.077 3.960 -0.001 0.000 0.280 394 G C 0.290 175.247 174.900 0.096 0.000 1.067 394 G CA 1.326 46.479 45.100 0.088 0.000 0.902 394 G HN 1.976 nan 8.290 nan 0.000 0.500 395 T N 0.475 115.120 114.554 0.152 0.000 2.758 395 T HA 0.586 4.936 4.350 -0.001 0.000 0.285 395 T C 0.048 174.913 174.700 0.275 0.000 0.981 395 T CA -0.558 61.658 62.100 0.193 0.000 0.965 395 T CB 0.316 69.307 68.868 0.206 0.000 0.927 395 T HN 0.373 nan 8.240 nan 0.000 0.448 396 N N 3.052 121.926 118.700 0.290 0.000 2.272 396 N HA 0.732 5.472 4.740 -0.001 0.000 0.305 396 N C -1.250 174.397 175.510 0.229 0.000 1.103 396 N CA -0.738 52.527 53.050 0.358 0.000 0.791 396 N CB 2.201 40.872 38.487 0.306 0.000 1.356 396 N HN 0.724 nan 8.380 nan 0.000 0.486 397 A N 0.504 123.339 122.820 0.026 0.000 2.515 397 A HA 0.799 5.119 4.320 -0.001 0.000 0.298 397 A C -0.911 176.619 177.584 -0.089 0.000 1.059 397 A CA -0.491 51.462 52.037 -0.140 0.000 0.698 397 A CB 1.601 20.258 19.000 -0.572 0.000 1.289 397 A HN 0.478 nan 8.150 nan 0.000 0.404 398 T N 1.826 116.383 114.554 0.007 0.000 2.971 398 T HA 0.579 4.929 4.350 -0.001 0.000 0.304 398 T C -1.108 173.644 174.700 0.088 0.000 1.038 398 T CA -0.239 61.870 62.100 0.014 0.000 1.007 398 T CB 0.887 69.784 68.868 0.049 0.000 1.055 398 T HN 0.517 nan 8.240 nan 0.000 0.451 399 L N 2.700 123.948 121.223 0.040 0.000 2.362 399 L HA 0.786 5.126 4.340 -0.001 0.000 0.275 399 L C -0.841 176.050 176.870 0.035 0.000 0.998 399 L CA -1.138 53.736 54.840 0.056 0.000 0.820 399 L CB 2.113 44.170 42.059 -0.004 0.000 1.270 399 L HN 0.339 nan 8.230 nan 0.000 0.415 400 V N 3.919 123.864 119.914 0.052 0.000 2.444 400 V HA 0.502 4.622 4.120 -0.001 0.000 0.294 400 V C -0.162 175.952 176.094 0.033 0.000 1.022 400 V CA -0.329 61.998 62.300 0.045 0.000 0.850 400 V CB 1.782 33.641 31.823 0.060 0.000 0.992 400 V HN 0.710 nan 8.190 nan 0.000 0.426 401 M N 5.089 124.704 119.600 0.025 0.000 2.383 401 M HA 0.651 5.131 4.480 -0.001 0.000 0.325 401 M C -0.446 175.868 176.300 0.023 0.000 1.092 401 M CA -0.262 55.048 55.300 0.017 0.000 0.961 401 M CB 2.294 34.897 32.600 0.005 0.000 1.672 401 M HN 0.555 nan 8.290 nan 0.000 0.438 402 R N 1.466 121.976 120.500 0.017 0.000 2.744 402 R HA 0.510 4.850 4.340 -0.001 0.000 0.279 402 R C -1.039 175.265 176.300 0.007 0.000 0.977 402 R CA -0.802 55.307 56.100 0.016 0.000 0.906 402 R CB 1.968 32.278 30.300 0.016 0.000 1.197 402 R HN 0.629 nan 8.270 nan 0.000 0.463 403 K N 1.950 122.353 120.400 0.005 0.000 2.230 403 K HA 0.189 4.509 4.320 -0.001 0.000 0.253 403 K C -0.150 176.443 176.600 -0.012 0.000 1.008 403 K CA -0.045 56.238 56.287 -0.006 0.000 0.910 403 K CB 0.583 33.080 32.500 -0.005 0.000 0.994 403 K HN 0.386 nan 8.250 nan 0.000 0.495 404 L N 0.000 121.209 121.223 -0.024 0.000 2.949 404 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 404 L CA 0.000 54.826 54.840 -0.023 0.000 0.813 404 L CB 0.000 42.038 42.059 -0.035 0.000 0.961 404 L HN 0.000 nan 8.230 nan 0.000 0.502