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 1g5x_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 0.000 176.604 176.600 0.007 0.000 0.988 2 K CA 0.000 56.292 56.287 0.008 0.000 0.838 2 K CB 0.000 32.506 32.500 0.010 0.000 1.064 3 R N 0.638 121.140 120.500 0.003 0.000 2.540 3 R HA 0.763 5.103 4.340 -0.000 0.000 0.287 3 R C -1.163 175.131 176.300 -0.011 0.000 0.980 3 R CA -0.242 55.858 56.100 0.000 0.000 0.966 3 R CB 1.976 32.276 30.300 0.002 0.000 1.106 3 R HN 0.289 nan 8.270 nan 0.000 0.480 4 A N 2.099 124.909 122.820 -0.016 0.000 2.355 4 A HA 0.661 4.980 4.320 -0.000 0.000 0.317 4 A C -0.710 176.853 177.584 -0.035 0.000 1.094 4 A CA -0.678 51.337 52.037 -0.035 0.000 0.764 4 A CB 1.266 20.236 19.000 -0.048 0.000 1.230 4 A HN 0.512 nan 8.150 nan 0.000 0.448 5 V N -0.182 119.706 119.914 -0.044 0.000 3.040 5 V HA 0.707 4.827 4.120 -0.000 0.000 0.312 5 V C -0.724 175.345 176.094 -0.043 0.000 1.115 5 V CA -1.055 61.222 62.300 -0.038 0.000 0.998 5 V CB 1.837 33.638 31.823 -0.037 0.000 1.042 5 V HN 0.627 nan 8.190 nan 0.000 0.433 6 I N 3.096 123.658 120.570 -0.013 0.000 2.297 6 I HA 0.364 4.534 4.170 -0.000 0.000 0.291 6 I C 1.160 177.339 176.117 0.104 0.000 1.033 6 I CA 0.219 61.529 61.300 0.017 0.000 1.253 6 I CB 0.932 38.939 38.000 0.013 0.000 1.396 6 I HN 1.025 nan 8.210 nan 0.000 0.476 7 T N 1.333 115.925 114.554 0.064 0.000 3.134 7 T HA 0.525 4.874 4.350 -0.000 0.000 0.260 7 T C 0.531 175.340 174.700 0.181 0.000 1.027 7 T CA -0.414 61.727 62.100 0.067 0.000 0.913 7 T CB 0.250 69.116 68.868 -0.003 0.000 1.046 7 T HN 0.795 nan 8.240 nan 0.000 0.553 8 G N 1.349 110.313 108.800 0.274 0.000 2.473 8 G HA2 0.502 4.462 3.960 -0.000 0.000 0.298 8 G HA3 0.502 4.462 3.960 -0.000 0.000 0.298 8 G C -1.986 172.979 174.900 0.109 0.000 1.575 8 G CA -0.919 44.350 45.100 0.282 0.000 0.846 8 G HN 0.709 nan 8.290 nan 0.000 0.585 9 L N -0.756 120.508 121.223 0.068 0.000 2.465 9 L HA 1.064 5.404 4.340 -0.000 0.000 0.257 9 L C -0.045 176.805 176.870 -0.033 0.000 0.988 9 L CA -0.755 54.041 54.840 -0.073 0.000 0.827 9 L CB 2.003 43.902 42.059 -0.267 0.000 1.397 9 L HN 1.291 nan 8.230 nan 0.000 0.410 10 G N 1.303 110.069 108.800 -0.056 0.000 2.667 10 G HA2 0.787 4.747 3.960 -0.000 0.000 0.298 10 G HA3 0.787 4.747 3.960 -0.000 0.000 0.298 10 G C -2.003 172.868 174.900 -0.048 0.000 1.377 10 G CA -0.697 44.379 45.100 -0.039 0.000 0.964 10 G HN 1.018 nan 8.290 nan 0.000 0.493 11 I N 0.775 121.329 120.570 -0.027 0.000 2.743 11 I HA 0.536 4.706 4.170 -0.000 0.000 0.292 11 I C -1.557 174.547 176.117 -0.021 0.000 1.343 11 I CA -0.870 60.411 61.300 -0.032 0.000 1.038 11 I CB 2.269 40.251 38.000 -0.029 0.000 1.311 11 I HN 0.339 nan 8.210 nan 0.000 0.426 12 V N 6.733 126.617 119.914 -0.049 0.000 2.357 12 V HA 0.599 4.719 4.120 -0.000 0.000 0.281 12 V C -0.246 175.746 176.094 -0.170 0.000 1.015 12 V CA -0.114 62.130 62.300 -0.093 0.000 0.827 12 V CB 1.324 33.094 31.823 -0.089 0.000 1.018 12 V HN 0.814 nan 8.190 nan 0.000 0.432 13 S N 2.551 118.180 115.700 -0.118 0.000 2.685 13 S HA 0.415 4.884 4.470 -0.000 0.000 0.282 13 S C 1.155 175.696 174.600 -0.099 0.000 1.159 13 S CA 0.141 58.275 58.200 -0.111 0.000 0.833 13 S CB 1.775 64.985 63.200 0.017 0.000 1.151 13 S HN 0.910 nan 8.310 nan 0.000 0.485 14 S N 0.329 115.980 115.700 -0.082 0.000 2.469 14 S HA -0.065 4.405 4.470 -0.000 0.000 0.238 14 S C 1.349 175.927 174.600 -0.037 0.000 0.998 14 S CA 1.080 59.241 58.200 -0.064 0.000 0.957 14 S CB -1.170 62.002 63.200 -0.046 0.000 0.764 14 S HN 1.090 nan 8.310 nan 0.000 0.514 15 I N -2.933 117.617 120.570 -0.033 0.000 4.009 15 I HA 0.689 4.858 4.170 -0.000 0.000 0.331 15 I C 0.488 176.583 176.117 -0.036 0.000 1.462 15 I CA -0.473 60.799 61.300 -0.046 0.000 1.117 15 I CB 0.447 38.390 38.000 -0.095 0.000 1.091 15 I HN 0.261 nan 8.210 nan 0.000 0.410 16 G N 0.934 109.720 108.800 -0.023 0.000 2.380 16 G HA2 0.057 4.017 3.960 -0.000 0.000 0.305 16 G HA3 0.057 4.017 3.960 -0.000 0.000 0.305 16 G C -0.862 174.028 174.900 -0.017 0.000 1.672 16 G CA -0.603 44.488 45.100 -0.015 0.000 0.904 16 G HN -0.041 nan 8.290 nan 0.000 0.686 17 N N 0.457 119.148 118.700 -0.015 0.000 2.336 17 N HA 0.089 4.829 4.740 -0.000 0.000 0.189 17 N C 0.667 176.177 175.510 0.001 0.000 1.113 17 N CA 0.631 53.672 53.050 -0.014 0.000 0.858 17 N CB 0.068 38.552 38.487 -0.006 0.000 0.970 17 N HN 0.836 nan 8.380 nan 0.000 0.471 18 N N -1.424 117.280 118.700 0.006 0.000 3.308 18 N HA -0.008 4.732 4.740 -0.000 0.000 0.276 18 N C 0.184 175.708 175.510 0.023 0.000 1.533 18 N CA -0.451 52.608 53.050 0.015 0.000 0.878 18 N CB 0.757 39.255 38.487 0.017 0.000 1.566 18 N HN -0.168 nan 8.380 nan 0.000 0.546 19 Q N -0.585 119.234 119.800 0.032 0.000 2.245 19 Q HA -0.157 4.183 4.340 -0.000 0.000 0.201 19 Q C 1.769 177.785 176.000 0.026 0.000 0.955 19 Q CA 1.732 57.563 55.803 0.046 0.000 0.870 19 Q CB -0.302 28.477 28.738 0.068 0.000 0.945 19 Q HN 0.709 nan 8.270 nan 0.000 0.461 20 Q N 1.187 120.992 119.800 0.008 0.000 2.123 20 Q HA -0.094 4.246 4.340 -0.000 0.000 0.199 20 Q C 1.585 177.563 176.000 -0.037 0.000 0.966 20 Q CA 1.634 57.422 55.803 -0.025 0.000 0.845 20 Q CB -0.082 28.644 28.738 -0.021 0.000 0.907 20 Q HN 0.517 nan 8.270 nan 0.000 0.439 21 E N 0.454 120.642 120.200 -0.020 0.000 2.072 21 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 21 E C 2.123 178.705 176.600 -0.030 0.000 0.982 21 E CA 1.206 57.590 56.400 -0.027 0.000 0.803 21 E CB 0.027 29.717 29.700 -0.016 0.000 0.755 21 E HN 0.201 nan 8.360 nan 0.000 0.453 22 V N 1.973 121.883 119.914 -0.006 0.000 2.261 22 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 22 V C 2.344 178.426 176.094 -0.021 0.000 1.047 22 V CA 1.465 63.767 62.300 0.003 0.000 1.015 22 V CB -0.409 31.471 31.823 0.096 0.000 0.642 22 V HN 0.363 nan 8.190 nan 0.000 0.446 23 L N -0.040 121.177 121.223 -0.011 0.000 2.043 23 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 23 L C 2.545 179.335 176.870 -0.132 0.000 1.075 23 L CA 2.298 57.109 54.840 -0.049 0.000 0.752 23 L CB -0.649 41.326 42.059 -0.140 0.000 0.891 23 L HN 0.407 nan 8.230 nan 0.000 0.432 24 A N -1.127 121.619 122.820 -0.123 0.000 1.933 24 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 24 A C 2.375 179.889 177.584 -0.117 0.000 1.175 24 A CA 1.987 53.945 52.037 -0.132 0.000 0.628 24 A CB -0.581 18.361 19.000 -0.096 0.000 0.814 24 A HN 0.533 nan 8.150 nan 0.000 0.444 25 S N -0.100 115.544 115.700 -0.093 0.000 2.345 25 S HA -0.058 4.412 4.470 -0.000 0.000 0.220 25 S C 1.826 176.369 174.600 -0.095 0.000 1.031 25 S CA 1.305 59.451 58.200 -0.089 0.000 0.996 25 S CB -0.494 62.653 63.200 -0.089 0.000 0.882 25 S HN 0.508 nan 8.310 nan 0.000 0.445 26 L N 1.177 122.346 121.223 -0.090 0.000 2.081 26 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 26 L C 2.686 179.561 176.870 0.008 0.000 1.080 26 L CA 1.306 56.135 54.840 -0.019 0.000 0.754 26 L CB -0.493 41.643 42.059 0.127 0.000 0.893 26 L HN 0.269 nan 8.230 nan 0.000 0.433 27 R N -0.764 119.640 120.500 -0.161 0.000 2.119 27 R HA -0.069 4.271 4.340 -0.000 0.000 0.222 27 R C 2.040 178.255 176.300 -0.142 0.000 1.088 27 R CA 0.591 56.526 56.100 -0.276 0.000 0.984 27 R CB -0.102 29.928 30.300 -0.449 0.000 0.884 27 R HN 0.310 nan 8.270 nan 0.000 0.447 28 E N -0.081 120.053 120.200 -0.110 0.000 2.216 28 E HA -0.028 4.322 4.350 -0.000 0.000 0.192 28 E C 0.889 177.459 176.600 -0.049 0.000 0.988 28 E CA 0.822 57.177 56.400 -0.075 0.000 0.834 28 E CB 0.180 29.839 29.700 -0.068 0.000 0.772 28 E HN 0.515 nan 8.360 nan 0.000 0.479 29 G N 2.342 111.115 108.800 -0.045 0.000 2.171 29 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.238 29 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.238 29 G C 0.196 175.075 174.900 -0.035 0.000 1.039 29 G CA 0.484 45.566 45.100 -0.031 0.000 0.759 29 G HN 0.253 nan 8.290 nan 0.000 0.501 30 R N 0.446 120.918 120.500 -0.046 0.000 2.267 30 R HA 0.529 4.869 4.340 -0.000 0.000 0.319 30 R C 0.726 177.003 176.300 -0.039 0.000 1.067 30 R CA 0.270 56.347 56.100 -0.038 0.000 0.936 30 R CB 0.578 30.854 30.300 -0.040 0.000 1.006 30 R HN 0.254 nan 8.270 nan 0.000 0.452 31 S N 2.213 117.900 115.700 -0.021 0.000 2.572 31 S HA 0.195 4.665 4.470 -0.000 0.000 0.279 31 S C 0.933 175.532 174.600 -0.003 0.000 1.341 31 S CA 0.046 58.239 58.200 -0.012 0.000 1.043 31 S CB 0.996 64.199 63.200 0.004 0.000 0.887 31 S HN 0.808 nan 8.310 nan 0.000 0.516 32 G N 3.510 112.311 108.800 0.001 0.000 3.453 32 G HA2 0.247 4.207 3.960 -0.000 0.000 0.263 32 G HA3 0.247 4.207 3.960 -0.000 0.000 0.263 32 G C 0.045 174.974 174.900 0.047 0.000 1.060 32 G CA -0.280 44.827 45.100 0.011 0.000 0.793 32 G HN 0.596 nan 8.290 nan 0.000 0.532 33 I N 2.765 123.373 120.570 0.064 0.000 2.395 33 I HA 0.388 4.558 4.170 -0.000 0.000 0.289 33 I C 0.559 176.760 176.117 0.140 0.000 1.023 33 I CA -0.290 61.077 61.300 0.111 0.000 1.350 33 I CB 0.379 38.439 38.000 0.100 0.000 1.409 33 I HN 0.076 nan 8.210 nan 0.000 0.507 34 T N 2.612 117.286 114.554 0.200 0.000 2.865 34 T HA 0.535 4.884 4.350 -0.000 0.000 0.294 34 T C -0.541 174.311 174.700 0.252 0.000 1.119 34 T CA -0.760 61.475 62.100 0.224 0.000 1.007 34 T CB 1.834 70.840 68.868 0.230 0.000 1.225 34 T HN 0.243 nan 8.240 nan 0.000 0.515 35 F N 1.519 121.530 119.950 0.101 0.000 2.471 35 F HA 0.545 5.072 4.527 -0.000 0.000 0.353 35 F C 0.510 176.291 175.800 -0.031 0.000 1.113 35 F CA -0.044 57.983 58.000 0.045 0.000 1.262 35 F CB 0.925 39.944 39.000 0.032 0.000 1.146 35 F HN 0.673 nan 8.300 nan 0.000 0.578 36 S N 4.935 119.929 115.700 -1.177 0.000 2.601 36 S HA 0.176 4.646 4.470 -0.000 0.000 0.312 36 S C 0.542 174.375 174.600 -1.279 0.000 1.107 36 S CA -0.697 56.762 58.200 -1.235 0.000 1.129 36 S CB 1.106 63.241 63.200 -1.774 0.000 0.982 36 S HN 0.897 nan 8.310 nan 0.000 0.469 37 Q N 3.317 122.663 119.800 -0.757 0.000 2.135 37 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 37 Q C 1.794 177.551 176.000 -0.404 0.000 0.981 37 Q CA 2.438 58.014 55.803 -0.380 0.000 0.856 37 Q CB -0.188 28.529 28.738 -0.036 0.000 0.902 37 Q HN 0.929 nan 8.270 nan 0.000 0.425 38 E N -0.617 119.314 120.200 -0.449 0.000 2.085 38 E HA -0.199 4.150 4.350 -0.000 0.000 0.194 38 E C 1.803 178.216 176.600 -0.313 0.000 0.994 38 E CA 1.269 57.494 56.400 -0.291 0.000 0.801 38 E CB -0.240 29.378 29.700 -0.137 0.000 0.743 38 E HN 0.460 nan 8.360 nan 0.000 0.453 39 L N 0.499 121.410 121.223 -0.520 0.000 2.093 39 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 39 L C 2.858 179.565 176.870 -0.272 0.000 1.085 39 L CA 1.351 55.999 54.840 -0.320 0.000 0.755 39 L CB -0.412 41.388 42.059 -0.432 0.000 0.904 39 L HN 0.185 nan 8.230 nan 0.000 0.435 40 K N 0.106 120.218 120.400 -0.479 0.000 2.062 40 K HA -0.172 4.148 4.320 -0.000 0.000 0.205 40 K C 1.608 178.001 176.600 -0.345 0.000 1.051 40 K CA 1.519 57.447 56.287 -0.600 0.000 0.941 40 K CB 0.103 32.131 32.500 -0.787 0.000 0.719 40 K HN 0.213 nan 8.250 nan 0.000 0.440 41 D N 0.192 120.418 120.400 -0.289 0.000 2.144 41 D HA -0.154 4.486 4.640 -0.000 0.000 0.199 41 D C 1.893 178.032 176.300 -0.269 0.000 0.984 41 D CA 1.513 55.371 54.000 -0.235 0.000 0.834 41 D CB -0.386 40.285 40.800 -0.214 0.000 0.955 41 D HN 0.282 nan 8.370 nan 0.000 0.465 42 S N -0.453 115.049 115.700 -0.331 0.000 2.440 42 S HA -0.022 4.448 4.470 -0.000 0.000 0.238 42 S C 1.760 176.221 174.600 -0.232 0.000 1.010 42 S CA 1.669 59.615 58.200 -0.424 0.000 0.972 42 S CB -0.143 62.810 63.200 -0.413 0.000 0.774 42 S HN 0.408 nan 8.310 nan 0.000 0.501 43 G N 0.092 108.811 108.800 -0.136 0.000 2.168 43 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.197 43 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.197 43 G C -0.019 174.895 174.900 0.024 0.000 0.997 43 G CA 0.035 45.102 45.100 -0.056 0.000 0.658 43 G HN 0.505 nan 8.290 nan 0.000 0.513 44 M N -0.178 119.457 119.600 0.059 0.000 2.228 44 M HA 0.430 4.910 4.480 -0.000 0.000 0.326 44 M C 1.786 178.186 176.300 0.167 0.000 1.122 44 M CA -0.200 55.166 55.300 0.111 0.000 1.161 44 M CB 0.637 33.309 32.600 0.120 0.000 1.437 44 M HN 0.125 nan 8.290 nan 0.000 0.465 45 R N -0.311 120.221 120.500 0.053 0.000 2.240 45 R HA 0.104 4.444 4.340 -0.000 0.000 0.203 45 R C 0.306 176.437 176.300 -0.281 0.000 1.011 45 R CA 0.238 56.299 56.100 -0.064 0.000 1.007 45 R CB 0.176 30.448 30.300 -0.046 0.000 0.911 45 R HN 0.506 nan 8.270 nan 0.000 0.468 46 S N 0.259 115.875 115.700 -0.139 0.000 2.429 46 S HA 0.188 4.658 4.470 -0.000 0.000 0.302 46 S C -0.194 174.370 174.600 -0.060 0.000 1.115 46 S CA -0.665 57.444 58.200 -0.152 0.000 1.095 46 S CB 0.419 63.592 63.200 -0.046 0.000 0.987 46 S HN 0.334 nan 8.310 nan 0.000 0.474 47 H N 2.424 121.437 119.070 -0.096 0.000 2.662 47 H HA 0.289 4.845 4.556 -0.000 0.000 0.268 47 H C -0.039 175.094 175.328 -0.326 0.000 1.152 47 H CA -0.587 55.287 56.048 -0.290 0.000 1.072 47 H CB 0.513 30.127 29.762 -0.247 0.000 1.660 47 H HN 0.424 nan 8.280 nan 0.000 0.584 48 V N -1.795 118.099 119.914 -0.034 0.000 2.547 48 V HA 0.395 4.515 4.120 -0.000 0.000 0.299 48 V C -0.768 175.430 176.094 0.174 0.000 1.040 48 V CA -0.866 61.471 62.300 0.061 0.000 0.913 48 V CB 1.820 33.718 31.823 0.125 0.000 0.992 48 V HN 0.181 nan 8.190 nan 0.000 0.449 49 W N 1.952 123.267 121.300 0.024 0.000 2.781 49 W HA 0.807 5.467 4.660 -0.001 0.000 0.345 49 W C 0.412 176.953 176.519 0.037 0.000 1.085 49 W CA -1.098 56.262 57.345 0.026 0.000 1.198 49 W CB 2.555 32.021 29.460 0.011 0.000 1.423 49 W HN 0.916 nan 8.180 nan 0.000 0.532 50 G N 3.608 112.505 108.800 0.163 0.000 4.662 50 G HA2 0.135 4.095 3.960 -0.000 0.000 0.328 50 G HA3 0.135 4.095 3.960 -0.000 0.000 0.328 50 G C -0.322 174.506 174.900 -0.120 0.000 1.451 50 G CA -0.569 44.554 45.100 0.037 0.000 1.154 50 G HN 0.346 nan 8.290 nan 0.000 0.547 51 N N -0.074 118.548 118.700 -0.130 0.000 2.483 51 N HA 0.203 4.942 4.740 -0.000 0.000 0.269 51 N C -0.424 174.974 175.510 -0.186 0.000 1.209 51 N CA -0.533 52.344 53.050 -0.287 0.000 0.969 51 N CB 2.010 40.334 38.487 -0.271 0.000 1.173 51 N HN -0.121 nan 8.380 nan 0.000 0.475 52 V N 1.540 121.312 119.914 -0.236 0.000 2.372 52 V HA 0.093 4.213 4.120 -0.000 0.000 0.261 52 V C 0.350 176.388 176.094 -0.093 0.000 1.055 52 V CA -0.555 61.617 62.300 -0.213 0.000 0.930 52 V CB -0.240 31.339 31.823 -0.407 0.000 1.031 52 V HN 0.580 nan 8.190 nan 0.000 0.479 53 K N 5.771 126.140 120.400 -0.052 0.000 2.155 53 K HA 0.497 4.816 4.320 -0.000 0.000 0.240 53 K C -0.708 175.894 176.600 0.003 0.000 1.193 53 K CA 0.109 56.394 56.287 -0.003 0.000 1.104 53 K CB 0.047 32.555 32.500 0.013 0.000 1.558 53 K HN 0.497 nan 8.250 nan 0.000 0.313 54 L N 0.310 121.543 121.223 0.017 0.000 2.549 54 L HA 0.303 4.643 4.340 -0.000 0.000 0.259 54 L C -1.894 175.010 176.870 0.056 0.000 0.934 54 L CA -0.532 54.328 54.840 0.032 0.000 0.865 54 L CB 2.316 44.391 42.059 0.027 0.000 1.352 54 L HN 0.263 nan 8.230 nan 0.000 0.410 55 D N 1.388 121.817 120.400 0.049 0.000 2.347 55 D HA 0.371 5.011 4.640 -0.000 0.000 0.235 55 D C 0.891 177.219 176.300 0.047 0.000 1.149 55 D CA 0.471 54.499 54.000 0.047 0.000 0.850 55 D CB 1.278 42.099 40.800 0.035 0.000 1.061 55 D HN 0.724 nan 8.370 nan 0.000 0.487 56 T N -0.597 113.989 114.554 0.054 0.000 3.081 56 T HA -0.047 4.303 4.350 -0.000 0.000 0.250 56 T C 1.821 176.525 174.700 0.007 0.000 1.100 56 T CA 0.155 62.282 62.100 0.046 0.000 1.038 56 T CB -0.089 68.818 68.868 0.064 0.000 0.962 56 T HN 0.322 nan 8.240 nan 0.000 0.516 57 T N 2.051 116.606 114.554 0.001 0.000 2.719 57 T HA -0.218 4.131 4.350 -0.000 0.000 0.254 57 T C 1.657 176.337 174.700 -0.034 0.000 1.106 57 T CA 2.237 64.326 62.100 -0.017 0.000 1.146 57 T CB -0.920 67.945 68.868 -0.006 0.000 0.839 57 T HN 0.699 nan 8.240 nan 0.000 0.473 58 G N -0.924 107.862 108.800 -0.022 0.000 3.735 58 G HA2 0.388 4.348 3.960 -0.000 0.000 0.283 58 G HA3 0.388 4.348 3.960 -0.000 0.000 0.283 58 G C 0.791 175.675 174.900 -0.026 0.000 1.007 58 G CA -0.287 44.794 45.100 -0.032 0.000 0.821 58 G HN 0.294 nan 8.290 nan 0.000 0.505 59 L N 0.692 121.906 121.223 -0.015 0.000 2.551 59 L HA 0.385 4.725 4.340 -0.000 0.000 0.228 59 L C 0.715 177.585 176.870 0.001 0.000 1.153 59 L CA 0.789 55.637 54.840 0.013 0.000 0.851 59 L CB -0.503 41.586 42.059 0.049 0.000 0.959 59 L HN 0.185 nan 8.230 nan 0.000 0.451 60 I N -1.561 118.956 120.570 -0.089 0.000 2.686 60 I HA 0.208 4.378 4.170 -0.000 0.000 0.295 60 I C -0.539 175.462 176.117 -0.193 0.000 1.114 60 I CA -1.221 59.960 61.300 -0.199 0.000 1.038 60 I CB 1.970 39.691 38.000 -0.465 0.000 1.238 60 I HN -0.241 nan 8.210 nan 0.000 0.420 61 D N 4.109 124.404 120.400 -0.175 0.000 2.515 61 D HA -0.040 4.599 4.640 -0.000 0.000 0.232 61 D C 1.343 177.531 176.300 -0.186 0.000 1.157 61 D CA 0.123 54.038 54.000 -0.143 0.000 0.871 61 D CB 0.847 41.580 40.800 -0.112 0.000 1.200 61 D HN 0.575 nan 8.370 nan 0.000 0.466 62 R N 1.781 122.185 120.500 -0.160 0.000 2.189 62 R HA -0.075 4.265 4.340 -0.000 0.000 0.218 62 R C 0.942 177.094 176.300 -0.246 0.000 1.074 62 R CA 0.874 56.854 56.100 -0.200 0.000 0.991 62 R CB -0.025 30.180 30.300 -0.158 0.000 0.883 62 R HN 0.262 nan 8.270 nan 0.000 0.457 63 K N 0.779 121.072 120.400 -0.179 0.000 2.366 63 K HA 0.044 4.364 4.320 -0.000 0.000 0.198 63 K C 1.733 178.260 176.600 -0.121 0.000 1.044 63 K CA 0.617 56.810 56.287 -0.157 0.000 0.973 63 K CB 0.429 32.894 32.500 -0.057 0.000 0.767 63 K HN 0.068 nan 8.250 nan 0.000 0.475 64 V N -0.071 119.748 119.914 -0.159 0.000 2.490 64 V HA -0.085 4.035 4.120 -0.000 0.000 0.238 64 V C 1.867 177.836 176.094 -0.209 0.000 1.056 64 V CA 0.734 62.959 62.300 -0.126 0.000 1.075 64 V CB 0.140 31.802 31.823 -0.268 0.000 0.746 64 V HN -0.000 nan 8.190 nan 0.000 0.479 65 V N 2.509 122.219 119.914 -0.340 0.000 3.186 65 V HA -0.162 3.958 4.120 -0.000 0.000 0.270 65 V C 2.517 178.364 176.094 -0.412 0.000 1.149 65 V CA 1.816 63.902 62.300 -0.356 0.000 1.160 65 V CB -0.787 30.836 31.823 -0.333 0.000 0.758 65 V HN 0.689 nan 8.190 nan 0.000 0.516 66 R N -1.799 118.346 120.500 -0.592 0.000 2.307 66 R HA 0.033 4.372 4.340 -0.000 0.000 0.199 66 R C 1.451 177.091 176.300 -1.101 0.000 1.000 66 R CA 1.215 56.749 56.100 -0.943 0.000 1.023 66 R CB -0.367 29.161 30.300 -1.288 0.000 0.908 66 R HN 0.483 nan 8.270 nan 0.000 0.473 67 F N 0.851 120.530 119.950 -0.451 0.000 2.720 67 F HA 0.386 4.913 4.527 -0.000 0.000 0.301 67 F C 0.832 176.472 175.800 -0.266 0.000 1.103 67 F CA -0.436 57.397 58.000 -0.279 0.000 1.291 67 F CB 0.183 39.089 39.000 -0.157 0.000 1.086 67 F HN -0.125 nan 8.300 nan 0.000 0.592 68 M N -0.034 119.471 119.600 -0.157 0.000 2.359 68 M HA 0.400 4.880 4.480 -0.000 0.000 0.322 68 M C 0.469 176.588 176.300 -0.302 0.000 1.166 68 M CA -0.533 54.655 55.300 -0.187 0.000 1.067 68 M CB 1.291 33.786 32.600 -0.174 0.000 1.523 68 M HN 0.013 nan 8.290 nan 0.000 0.467 69 S N -0.849 114.718 115.700 -0.222 0.000 2.766 69 S HA 0.377 4.846 4.470 -0.000 0.000 0.307 69 S C 0.186 174.705 174.600 -0.134 0.000 1.121 69 S CA -0.781 57.331 58.200 -0.146 0.000 0.980 69 S CB 1.339 64.532 63.200 -0.012 0.000 1.159 69 S HN 0.669 nan 8.310 nan 0.000 0.546 70 D N 1.180 121.503 120.400 -0.130 0.000 2.133 70 D HA -0.052 4.587 4.640 -0.000 0.000 0.195 70 D C 2.200 178.178 176.300 -0.536 0.000 0.997 70 D CA 2.007 55.740 54.000 -0.444 0.000 0.840 70 D CB -0.847 39.687 40.800 -0.443 0.000 0.947 70 D HN 0.685 nan 8.370 nan 0.000 0.452 71 A N 0.262 122.960 122.820 -0.203 0.000 1.908 71 A HA -0.205 4.114 4.320 -0.000 0.000 0.218 71 A C 2.432 180.009 177.584 -0.012 0.000 1.181 71 A CA 2.154 54.167 52.037 -0.039 0.000 0.627 71 A CB -0.683 18.331 19.000 0.024 0.000 0.818 71 A HN 0.192 nan 8.150 nan 0.000 0.445 72 S N -0.442 115.234 115.700 -0.039 0.000 2.368 72 S HA -0.066 4.403 4.470 -0.000 0.000 0.224 72 S C 1.812 176.434 174.600 0.037 0.000 1.029 72 S CA 1.306 59.515 58.200 0.014 0.000 0.988 72 S CB -0.453 62.739 63.200 -0.012 0.000 0.838 72 S HN 0.531 nan 8.310 nan 0.000 0.462 73 I N 0.414 120.931 120.570 -0.088 0.000 2.179 73 I HA -0.217 3.952 4.170 -0.000 0.000 0.242 73 I C 2.029 178.218 176.117 0.121 0.000 1.088 73 I CA 1.304 62.564 61.300 -0.066 0.000 1.357 73 I CB -0.367 37.503 38.000 -0.216 0.000 1.051 73 I HN 0.272 nan 8.210 nan 0.000 0.409 74 Y N 0.669 121.005 120.300 0.062 0.000 2.224 74 Y HA -0.162 4.388 4.550 -0.000 0.000 0.289 74 Y C 2.621 178.563 175.900 0.069 0.000 1.146 74 Y CA 0.715 58.846 58.100 0.052 0.000 1.182 74 Y CB -1.289 37.180 38.460 0.014 0.000 0.983 74 Y HN 0.130 nan 8.280 nan 0.000 0.524 75 A N -0.638 122.325 122.820 0.238 0.000 1.929 75 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 75 A C 2.174 179.858 177.584 0.166 0.000 1.176 75 A CA 1.085 53.213 52.037 0.152 0.000 0.628 75 A CB -1.268 17.802 19.000 0.116 0.000 0.816 75 A HN 0.403 nan 8.150 nan 0.000 0.444 76 F N 0.815 120.820 119.950 0.092 0.000 2.075 76 F HA -0.152 4.375 4.527 -0.000 0.000 0.297 76 F C 1.917 177.807 175.800 0.149 0.000 1.113 76 F CA 1.825 59.916 58.000 0.153 0.000 1.218 76 F CB -0.247 38.816 39.000 0.106 0.000 0.984 76 F HN 0.134 nan 8.300 nan 0.000 0.472 77 L N -0.709 120.745 121.223 0.385 0.000 2.083 77 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 77 L C 2.474 179.389 176.870 0.076 0.000 1.083 77 L CA 1.385 56.371 54.840 0.242 0.000 0.752 77 L CB -0.948 41.253 42.059 0.236 0.000 0.899 77 L HN 0.110 nan 8.230 nan 0.000 0.433 78 S N -0.410 115.322 115.700 0.053 0.000 2.368 78 S HA -0.183 4.287 4.470 -0.000 0.000 0.224 78 S C 1.924 176.461 174.600 -0.106 0.000 1.029 78 S CA 1.376 59.567 58.200 -0.016 0.000 0.988 78 S CB -0.173 63.023 63.200 -0.007 0.000 0.838 78 S HN 0.344 nan 8.310 nan 0.000 0.462 79 M N 1.446 120.926 119.600 -0.199 0.000 2.117 79 M HA -0.119 4.361 4.480 -0.000 0.000 0.262 79 M C 2.088 178.094 176.300 -0.488 0.000 1.065 79 M CA 1.501 56.531 55.300 -0.450 0.000 1.114 79 M CB -0.150 31.988 32.600 -0.769 0.000 1.361 79 M HN 0.238 nan 8.290 nan 0.000 0.408 80 E N -0.229 119.774 120.200 -0.328 0.000 2.070 80 E HA -0.293 4.057 4.350 -0.000 0.000 0.197 80 E C 1.987 178.526 176.600 -0.102 0.000 1.004 80 E CA 2.016 58.325 56.400 -0.152 0.000 0.805 80 E CB -0.051 29.632 29.700 -0.028 0.000 0.744 80 E HN 0.653 nan 8.360 nan 0.000 0.451 81 Q N -0.441 119.318 119.800 -0.070 0.000 2.084 81 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 81 Q C 2.207 178.186 176.000 -0.035 0.000 0.978 81 Q CA 1.231 57.017 55.803 -0.028 0.000 0.844 81 Q CB -0.144 28.588 28.738 -0.009 0.000 0.898 81 Q HN 0.280 nan 8.270 nan 0.000 0.426 82 A N 1.068 123.844 122.820 -0.074 0.000 1.883 82 A HA -0.202 4.117 4.320 -0.000 0.000 0.217 82 A C 2.063 179.635 177.584 -0.021 0.000 1.186 82 A CA 1.315 53.330 52.037 -0.037 0.000 0.624 82 A CB -0.722 18.251 19.000 -0.045 0.000 0.822 82 A HN 0.310 nan 8.150 nan 0.000 0.444 83 I N -0.295 120.203 120.570 -0.121 0.000 2.163 83 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 83 I C 2.947 179.050 176.117 -0.023 0.000 1.085 83 I CA 1.202 62.429 61.300 -0.121 0.000 1.347 83 I CB -0.296 37.513 38.000 -0.318 0.000 1.044 83 I HN 0.365 nan 8.210 nan 0.000 0.408 84 A N 0.040 122.853 122.820 -0.010 0.000 1.930 84 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 84 A C 1.990 179.598 177.584 0.040 0.000 1.175 84 A CA 2.107 54.160 52.037 0.026 0.000 0.627 84 A CB -0.601 18.414 19.000 0.026 0.000 0.815 84 A HN 0.441 nan 8.150 nan 0.000 0.443 85 D N -0.144 120.286 120.400 0.050 0.000 2.144 85 D HA 0.018 4.658 4.640 -0.000 0.000 0.200 85 D C 1.914 178.278 176.300 0.107 0.000 0.978 85 D CA 1.423 55.477 54.000 0.090 0.000 0.833 85 D CB -0.162 40.719 40.800 0.135 0.000 0.961 85 D HN 0.313 nan 8.370 nan 0.000 0.470 86 A N -0.640 122.235 122.820 0.092 0.000 2.066 86 A HA 0.340 4.660 4.320 -0.000 0.000 0.218 86 A C 1.901 179.525 177.584 0.067 0.000 1.157 86 A CA 1.292 53.380 52.037 0.086 0.000 0.670 86 A CB -0.585 18.448 19.000 0.055 0.000 0.804 86 A HN 0.535 nan 8.150 nan 0.000 0.453 87 G N -1.714 107.122 108.800 0.060 0.000 2.149 87 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.235 87 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.235 87 G C -0.257 174.691 174.900 0.080 0.000 1.018 87 G CA 0.113 45.248 45.100 0.059 0.000 0.728 87 G HN 0.299 nan 8.290 nan 0.000 0.508 88 L N 1.535 122.817 121.223 0.098 0.000 2.326 88 L HA 0.679 5.019 4.340 -0.000 0.000 0.278 88 L C 1.119 178.136 176.870 0.245 0.000 1.092 88 L CA -0.339 54.603 54.840 0.170 0.000 0.810 88 L CB 1.288 43.445 42.059 0.164 0.000 1.153 88 L HN 0.593 nan 8.230 nan 0.000 0.439 89 S N 3.807 119.651 115.700 0.240 0.000 2.525 89 S HA 0.551 5.021 4.470 -0.000 0.000 0.290 89 S C -1.922 172.773 174.600 0.158 0.000 1.152 89 S CA -1.256 57.056 58.200 0.187 0.000 1.072 89 S CB 1.755 65.012 63.200 0.095 0.000 1.027 89 S HN 0.443 nan 8.310 nan 0.000 0.500 90 P HA -0.221 nan 4.420 nan 0.000 0.216 90 P C 1.432 178.555 177.300 -0.295 0.000 1.157 90 P CA 1.590 64.504 63.100 -0.311 0.000 0.880 90 P CB -0.031 31.577 31.700 -0.153 0.000 0.791 91 E N -0.099 120.030 120.200 -0.118 0.000 2.118 91 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 91 E C 1.938 178.499 176.600 -0.065 0.000 0.992 91 E CA 1.688 58.037 56.400 -0.086 0.000 0.804 91 E CB -1.400 28.279 29.700 -0.035 0.000 0.741 91 E HN 0.225 nan 8.360 nan 0.000 0.458 92 A N 1.917 124.730 122.820 -0.010 0.000 1.824 92 A HA -0.177 4.143 4.320 -0.000 0.000 0.215 92 A C 2.292 179.923 177.584 0.078 0.000 1.209 92 A CA 1.791 53.870 52.037 0.069 0.000 0.614 92 A CB -1.259 17.831 19.000 0.151 0.000 0.852 92 A HN 0.455 nan 8.150 nan 0.000 0.447 93 Y N -0.270 120.071 120.300 0.068 0.000 2.337 93 Y HA 0.254 4.804 4.550 -0.000 0.000 0.293 93 Y C 1.284 177.212 175.900 0.047 0.000 1.123 93 Y CA 0.618 58.764 58.100 0.078 0.000 1.201 93 Y CB -0.760 37.798 38.460 0.164 0.000 1.011 93 Y HN 0.373 nan 8.280 nan 0.000 0.545 94 Q N 2.020 121.396 119.800 -0.706 0.000 2.392 94 Q HA 0.052 4.392 4.340 -0.000 0.000 0.262 94 Q C 0.182 175.988 176.000 -0.324 0.000 1.003 94 Q CA 0.511 56.004 55.803 -0.516 0.000 0.888 94 Q CB 0.123 28.530 28.738 -0.552 0.000 1.260 94 Q HN 0.518 nan 8.270 nan 0.000 0.435 95 N N 1.612 120.037 118.700 -0.457 0.000 2.696 95 N HA -0.266 4.474 4.740 -0.000 0.000 0.249 95 N C -1.047 174.243 175.510 -0.368 0.000 1.090 95 N CA 0.425 52.990 53.050 -0.809 0.000 0.716 95 N CB -0.781 37.437 38.487 -0.448 0.000 1.020 95 N HN 0.490 nan 8.380 nan 0.000 0.548 96 N N 0.617 119.218 118.700 -0.165 0.000 2.501 96 N HA 0.260 4.999 4.740 -0.000 0.000 0.245 96 N C -1.846 173.724 175.510 0.099 0.000 0.974 96 N CA -2.107 50.949 53.050 0.011 0.000 0.941 96 N CB 1.362 39.866 38.487 0.029 0.000 1.122 96 N HN -0.122 nan 8.380 nan 0.000 0.507 97 P HA -0.072 nan 4.420 nan 0.000 0.222 97 P C 0.545 177.885 177.300 0.068 0.000 1.142 97 P CA 1.014 64.189 63.100 0.126 0.000 0.788 97 P CB 0.327 32.084 31.700 0.095 0.000 0.767 98 R N -1.127 119.398 120.500 0.042 0.000 2.359 98 R HA 0.207 4.547 4.340 -0.000 0.000 0.231 98 R C -0.086 176.190 176.300 -0.039 0.000 0.913 98 R CA 0.092 56.188 56.100 -0.006 0.000 1.075 98 R CB 0.186 30.474 30.300 -0.020 0.000 1.087 98 R HN 0.139 nan 8.270 nan 0.000 0.515 99 V N 0.423 120.344 119.914 0.013 0.000 2.448 99 V HA 0.632 4.752 4.120 -0.000 0.000 0.295 99 V C 0.434 176.564 176.094 0.061 0.000 1.025 99 V CA -0.776 61.532 62.300 0.014 0.000 0.859 99 V CB 1.726 33.624 31.823 0.126 0.000 0.988 99 V HN 0.292 nan 8.190 nan 0.000 0.431 100 G N 3.476 112.278 108.800 0.003 0.000 2.816 100 G HA2 0.777 4.737 3.960 -0.000 0.000 0.288 100 G HA3 0.777 4.737 3.960 -0.000 0.000 0.288 100 G C -1.728 173.205 174.900 0.054 0.000 1.334 100 G CA -0.663 44.446 45.100 0.015 0.000 0.978 100 G HN 0.576 nan 8.290 nan 0.000 0.493 101 L N 0.551 121.764 121.223 -0.017 0.000 2.439 101 L HA 0.621 4.961 4.340 -0.000 0.000 0.270 101 L C -1.407 175.369 176.870 -0.156 0.000 0.972 101 L CA -0.692 54.142 54.840 -0.009 0.000 0.836 101 L CB 1.592 43.670 42.059 0.032 0.000 1.255 101 L HN 0.453 nan 8.230 nan 0.000 0.404 102 I N 4.989 125.480 120.570 -0.131 0.000 2.493 102 I HA 0.587 4.757 4.170 -0.000 0.000 0.279 102 I C -0.421 175.673 176.117 -0.039 0.000 1.045 102 I CA -0.215 60.989 61.300 -0.161 0.000 1.106 102 I CB 1.754 39.644 38.000 -0.184 0.000 1.216 102 I HN 0.659 nan 8.210 nan 0.000 0.459 103 A N 4.202 127.023 122.820 0.003 0.000 2.547 103 A HA 0.959 5.278 4.320 -0.000 0.000 0.297 103 A C -0.629 176.990 177.584 0.058 0.000 1.056 103 A CA -0.386 51.668 52.037 0.028 0.000 0.688 103 A CB 1.842 20.852 19.000 0.017 0.000 1.282 103 A HN 0.728 nan 8.150 nan 0.000 0.400 104 G N -0.227 108.610 108.800 0.062 0.000 2.782 104 G HA2 0.844 4.803 3.960 -0.000 0.000 0.304 104 G HA3 0.844 4.803 3.960 -0.000 0.000 0.304 104 G C -0.555 174.382 174.900 0.062 0.000 1.315 104 G CA 0.203 45.345 45.100 0.071 0.000 0.791 104 G HN 1.934 nan 8.290 nan 0.000 0.519 105 S N -2.016 113.722 115.700 0.063 0.000 2.595 105 S HA 0.648 5.117 4.470 -0.000 0.000 0.281 105 S C 0.986 175.621 174.600 0.057 0.000 1.117 105 S CA 0.304 58.537 58.200 0.056 0.000 0.873 105 S CB 1.519 64.752 63.200 0.054 0.000 1.108 105 S HN 1.533 nan 8.310 nan 0.000 0.477 106 G N 0.073 108.901 108.800 0.047 0.000 2.421 106 G HA2 0.302 4.261 3.960 -0.000 0.000 0.217 106 G HA3 0.302 4.261 3.960 -0.000 0.000 0.217 106 G C 0.880 175.816 174.900 0.060 0.000 1.143 106 G CA 0.459 45.589 45.100 0.051 0.000 0.784 106 G HN 1.236 nan 8.290 nan 0.000 0.541 107 G N -1.315 107.521 108.800 0.060 0.000 3.274 107 G HA2 0.463 4.422 3.960 -0.000 0.000 0.250 107 G HA3 0.463 4.422 3.960 -0.000 0.000 0.250 107 G C 1.053 175.986 174.900 0.055 0.000 1.024 107 G CA 0.821 45.959 45.100 0.064 0.000 0.840 107 G HN 1.083 nan 8.290 nan 0.000 0.522 108 G N 0.491 109.324 108.800 0.055 0.000 2.601 108 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.306 108 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.306 108 G C 0.455 175.394 174.900 0.065 0.000 1.172 108 G CA 0.758 45.892 45.100 0.057 0.000 0.966 108 G HN 1.376 nan 8.290 nan 0.000 0.542 109 S N 1.685 117.434 115.700 0.081 0.000 2.293 109 S HA 0.628 5.097 4.470 -0.000 0.000 0.154 109 S C -1.301 173.352 174.600 0.088 0.000 1.602 109 S CA 0.111 58.380 58.200 0.115 0.000 1.260 109 S CB 1.503 64.835 63.200 0.219 0.000 1.270 109 S HN 0.301 nan 8.310 nan 0.000 0.416 110 P HA -0.123 nan 4.420 nan 0.000 0.218 110 P C 1.466 178.710 177.300 -0.093 0.000 1.148 110 P CA 0.741 63.818 63.100 -0.038 0.000 0.822 110 P CB 0.112 31.766 31.700 -0.077 0.000 0.784 111 R N -1.020 119.397 120.500 -0.139 0.000 2.105 111 R HA -0.102 4.238 4.340 -0.000 0.000 0.239 111 R C 1.688 177.813 176.300 -0.292 0.000 1.135 111 R CA 1.560 57.492 56.100 -0.280 0.000 0.967 111 R CB -0.824 29.259 30.300 -0.363 0.000 0.861 111 R HN 0.131 nan 8.270 nan 0.000 0.442 112 F N -0.230 119.740 119.950 0.034 0.000 2.754 112 F HA 0.169 4.695 4.527 -0.001 0.000 0.297 112 F C 2.317 178.213 175.800 0.160 0.000 1.122 112 F CA 0.249 58.323 58.000 0.123 0.000 1.400 112 F CB 0.235 39.271 39.000 0.059 0.000 1.117 112 F HN 0.084 nan 8.300 nan 0.000 0.587 113 Q N -0.165 119.756 119.800 0.202 0.000 2.096 113 Q HA -0.096 4.244 4.340 -0.000 0.000 0.197 113 Q C 2.274 178.328 176.000 0.090 0.000 0.964 113 Q CA 1.168 57.051 55.803 0.134 0.000 0.838 113 Q CB -0.033 28.751 28.738 0.076 0.000 0.906 113 Q HN 0.208 nan 8.270 nan 0.000 0.444 114 V N 0.494 120.434 119.914 0.044 0.000 2.358 114 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 114 V C 1.874 177.995 176.094 0.046 0.000 1.047 114 V CA 1.761 64.070 62.300 0.015 0.000 1.035 114 V CB -0.594 31.196 31.823 -0.055 0.000 0.658 114 V HN 0.426 nan 8.190 nan 0.000 0.452 115 F N 2.089 122.011 119.950 -0.046 0.000 2.134 115 F HA -0.051 4.476 4.527 -0.000 0.000 0.299 115 F C 2.129 177.957 175.800 0.045 0.000 1.097 115 F CA 1.732 59.720 58.000 -0.020 0.000 1.264 115 F CB -0.799 38.151 39.000 -0.083 0.000 1.001 115 F HN 0.127 nan 8.300 nan 0.000 0.479 116 G N -0.174 108.621 108.800 -0.009 0.000 2.418 116 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.217 116 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.217 116 G C 1.806 176.615 174.900 -0.152 0.000 1.158 116 G CA 0.846 45.888 45.100 -0.096 0.000 0.771 116 G HN 0.635 nan 8.290 nan 0.000 0.545 117 A N 1.249 124.023 122.820 -0.077 0.000 1.845 117 A HA -0.041 4.278 4.320 -0.000 0.000 0.215 117 A C 2.107 179.634 177.584 -0.096 0.000 1.195 117 A CA 2.122 54.123 52.037 -0.061 0.000 0.616 117 A CB -0.662 18.327 19.000 -0.019 0.000 0.832 117 A HN 0.266 nan 8.150 nan 0.000 0.443 118 D N 0.151 120.489 120.400 -0.104 0.000 2.137 118 D HA -0.174 4.466 4.640 -0.000 0.000 0.189 118 D C 2.252 178.457 176.300 -0.159 0.000 0.998 118 D CA 2.053 55.994 54.000 -0.097 0.000 0.839 118 D CB -0.703 40.055 40.800 -0.070 0.000 0.962 118 D HN 0.414 nan 8.370 nan 0.000 0.446 119 A N 0.369 122.995 122.820 -0.322 0.000 1.917 119 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 119 A C 2.187 179.653 177.584 -0.196 0.000 1.182 119 A CA 2.479 54.309 52.037 -0.345 0.000 0.633 119 A CB -0.657 17.919 19.000 -0.708 0.000 0.819 119 A HN 0.261 nan 8.150 nan 0.000 0.448 120 M N -0.829 118.669 119.600 -0.169 0.000 2.175 120 M HA -0.031 4.449 4.480 -0.000 0.000 0.264 120 M C 1.940 178.201 176.300 -0.065 0.000 1.063 120 M CA 1.598 56.840 55.300 -0.095 0.000 1.119 120 M CB -0.279 32.277 32.600 -0.073 0.000 1.377 120 M HN 0.314 nan 8.290 nan 0.000 0.415 121 R N 0.536 120.999 120.500 -0.063 0.000 2.193 121 R HA 0.076 4.416 4.340 -0.000 0.000 0.229 121 R C 1.165 177.444 176.300 -0.035 0.000 1.110 121 R CA 0.872 56.948 56.100 -0.039 0.000 0.988 121 R CB -0.938 29.343 30.300 -0.031 0.000 0.871 121 R HN 0.537 nan 8.270 nan 0.000 0.458 122 G N 0.430 109.202 108.800 -0.047 0.000 2.651 122 G HA2 0.068 4.028 3.960 -0.000 0.000 0.260 122 G HA3 0.068 4.028 3.960 -0.000 0.000 0.260 122 G C -1.525 173.359 174.900 -0.027 0.000 1.216 122 G CA -1.004 44.075 45.100 -0.035 0.000 0.913 122 G HN 0.022 nan 8.290 nan 0.000 0.535 123 P HA -0.081 nan 4.420 nan 0.000 0.220 123 P C 1.465 178.758 177.300 -0.012 0.000 1.148 123 P CA 0.819 63.912 63.100 -0.012 0.000 0.803 123 P CB 0.274 31.970 31.700 -0.007 0.000 0.782 124 R N -0.730 119.762 120.500 -0.014 0.000 2.240 124 R HA 0.094 4.434 4.340 -0.000 0.000 0.203 124 R C 1.701 177.991 176.300 -0.017 0.000 1.011 124 R CA 0.726 56.819 56.100 -0.011 0.000 1.007 124 R CB -0.555 29.742 30.300 -0.005 0.000 0.911 124 R HN 0.205 nan 8.270 nan 0.000 0.468 125 G N 1.408 110.192 108.800 -0.027 0.000 2.629 125 G HA2 -0.383 3.576 3.960 -0.000 0.000 0.313 125 G HA3 -0.383 3.576 3.960 -0.000 0.000 0.313 125 G C 0.627 175.507 174.900 -0.033 0.000 1.217 125 G CA 0.315 45.396 45.100 -0.031 0.000 0.994 125 G HN 0.169 nan 8.290 nan 0.000 0.549 126 L N 1.216 122.425 121.223 -0.023 0.000 2.081 126 L HA -0.033 4.307 4.340 -0.000 0.000 0.212 126 L C 2.812 179.675 176.870 -0.012 0.000 1.080 126 L CA 2.968 57.797 54.840 -0.018 0.000 0.754 126 L CB -1.078 40.972 42.059 -0.014 0.000 0.893 126 L HN 0.675 nan 8.230 nan 0.000 0.433 127 K N -0.866 119.529 120.400 -0.008 0.000 2.209 127 K HA -0.039 4.281 4.320 -0.000 0.000 0.204 127 K C 2.065 178.676 176.600 0.017 0.000 1.048 127 K CA 1.135 57.424 56.287 0.003 0.000 0.940 127 K CB -0.397 32.105 32.500 0.003 0.000 0.729 127 K HN 0.313 nan 8.250 nan 0.000 0.451 128 A N 0.638 123.458 122.820 0.000 0.000 1.968 128 A HA -0.049 4.270 4.320 -0.000 0.000 0.217 128 A C 2.243 179.835 177.584 0.014 0.000 1.169 128 A CA 1.009 53.047 52.037 0.001 0.000 0.638 128 A CB -0.453 18.514 19.000 -0.055 0.000 0.812 128 A HN 0.050 nan 8.150 nan 0.000 0.446 129 V N -0.573 119.332 119.914 -0.015 0.000 2.221 129 V HA 0.310 4.429 4.120 -0.000 0.000 0.242 129 V C 1.610 177.819 176.094 0.190 0.000 1.041 129 V CA 1.188 63.511 62.300 0.037 0.000 0.995 129 V CB -2.013 29.811 31.823 0.002 0.000 0.635 129 V HN 1.325 nan 8.190 nan 0.000 0.448 130 G N 0.336 109.183 108.800 0.079 0.000 2.603 130 G HA2 -0.046 3.913 3.960 -0.000 0.000 0.686 130 G HA3 -0.046 3.913 3.960 -0.000 0.000 0.686 130 G C -2.268 172.583 174.900 -0.081 0.000 1.286 130 G CA -0.148 44.961 45.100 0.016 0.000 0.871 130 G HN 0.349 nan 8.290 nan 0.000 0.568 131 P HA 0.289 nan 4.420 nan 0.000 0.261 131 P C 0.104 177.166 177.300 -0.397 0.000 1.352 131 P CA 0.529 63.404 63.100 -0.374 0.000 0.891 131 P CB -0.041 31.382 31.700 -0.462 0.000 1.383 132 Y N -1.553 118.769 120.300 0.036 0.000 2.531 132 Y HA 0.130 4.680 4.550 -0.000 0.000 0.249 132 Y C 2.070 177.958 175.900 -0.020 0.000 1.168 132 Y CA -0.318 57.786 58.100 0.007 0.000 1.226 132 Y CB -0.344 38.036 38.460 -0.134 0.000 1.177 132 Y HN -0.271 nan 8.280 nan 0.000 0.527 133 V N -1.428 118.574 119.914 0.146 0.000 2.548 133 V HA -0.193 3.927 4.120 -0.000 0.000 0.249 133 V C 2.028 178.187 176.094 0.108 0.000 1.055 133 V CA 1.370 63.759 62.300 0.148 0.000 1.065 133 V CB -0.742 31.228 31.823 0.245 0.000 0.681 133 V HN 0.222 nan 8.190 nan 0.000 0.462 134 V N 1.295 121.267 119.914 0.097 0.000 2.237 134 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 134 V C 2.896 179.028 176.094 0.064 0.000 1.046 134 V CA 2.642 64.987 62.300 0.075 0.000 1.007 134 V CB -1.473 30.386 31.823 0.061 0.000 0.638 134 V HN 0.776 nan 8.190 nan 0.000 0.445 135 T N -1.511 113.092 114.554 0.081 0.000 2.897 135 T HA -0.218 4.131 4.350 -0.000 0.000 0.271 135 T C 1.679 176.390 174.700 0.018 0.000 1.084 135 T CA 1.588 63.724 62.100 0.059 0.000 1.123 135 T CB -0.305 68.631 68.868 0.112 0.000 0.865 135 T HN 0.525 nan 8.240 nan 0.000 0.496 136 K N 0.844 121.227 120.400 -0.028 0.000 2.128 136 K HA 0.382 4.702 4.320 -0.000 0.000 0.202 136 K C 2.716 179.314 176.600 -0.002 0.000 1.050 136 K CA 0.870 57.074 56.287 -0.138 0.000 0.966 136 K CB -0.134 32.063 32.500 -0.505 0.000 0.759 136 K HN 0.404 nan 8.250 nan 0.000 0.454 137 A N 2.127 124.986 122.820 0.064 0.000 2.030 137 A HA 0.068 4.388 4.320 -0.000 0.000 0.215 137 A C 1.308 178.937 177.584 0.075 0.000 1.164 137 A CA -0.047 52.057 52.037 0.112 0.000 0.697 137 A CB -0.438 18.651 19.000 0.149 0.000 0.827 137 A HN 0.347 nan 8.150 nan 0.000 0.457 138 M N -1.296 118.338 119.600 0.058 0.000 2.249 138 M HA 0.436 4.916 4.480 -0.000 0.000 0.340 138 M C 0.922 177.250 176.300 0.047 0.000 1.166 138 M CA 0.461 55.790 55.300 0.048 0.000 1.115 138 M CB 0.492 33.115 32.600 0.039 0.000 1.606 138 M HN 0.083 nan 8.290 nan 0.000 0.448 139 A N 2.497 125.344 122.820 0.045 0.000 2.024 139 A HA -0.121 4.198 4.320 -0.000 0.000 0.220 139 A C 2.003 179.619 177.584 0.053 0.000 1.164 139 A CA 2.011 54.077 52.037 0.048 0.000 0.643 139 A CB -0.935 18.091 19.000 0.044 0.000 0.806 139 A HN 1.026 nan 8.150 nan 0.000 0.451 140 S N -0.964 114.767 115.700 0.051 0.000 2.614 140 S HA 0.332 4.802 4.470 -0.000 0.000 0.230 140 S C 1.559 176.190 174.600 0.051 0.000 0.952 140 S CA 0.526 58.762 58.200 0.060 0.000 0.949 140 S CB -0.262 62.976 63.200 0.062 0.000 0.786 140 S HN 0.558 nan 8.310 nan 0.000 0.478 141 G N 2.170 110.996 108.800 0.043 0.000 2.476 141 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 141 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 141 G C 1.300 176.223 174.900 0.039 0.000 1.164 141 G CA 1.208 46.327 45.100 0.032 0.000 0.768 141 G HN 0.481 nan 8.290 nan 0.000 0.560 142 V N 1.784 121.727 119.914 0.049 0.000 2.332 142 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 142 V C 3.277 179.413 176.094 0.069 0.000 1.055 142 V CA 2.522 64.859 62.300 0.061 0.000 1.038 142 V CB -0.570 31.290 31.823 0.062 0.000 0.651 142 V HN 0.649 nan 8.190 nan 0.000 0.450 143 S N 0.797 116.535 115.700 0.063 0.000 2.377 143 S HA -0.034 4.436 4.470 -0.000 0.000 0.223 143 S C 2.142 176.776 174.600 0.058 0.000 1.030 143 S CA 1.067 59.302 58.200 0.058 0.000 0.970 143 S CB -0.469 62.767 63.200 0.061 0.000 0.830 143 S HN 0.538 nan 8.310 nan 0.000 0.473 144 A N 0.791 123.638 122.820 0.046 0.000 1.940 144 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 144 A C 2.394 179.983 177.584 0.010 0.000 1.176 144 A CA 1.601 53.649 52.037 0.018 0.000 0.631 144 A CB -1.509 17.489 19.000 -0.003 0.000 0.814 144 A HN 0.707 nan 8.150 nan 0.000 0.446 145 C N -0.773 118.548 119.300 0.034 0.000 2.481 145 C HA 0.184 4.644 4.460 -0.000 0.000 0.275 145 C C 2.298 177.375 174.990 0.145 0.000 1.419 145 C CA 0.534 59.584 59.018 0.052 0.000 1.773 145 C CB -1.171 26.599 27.740 0.050 0.000 1.862 145 C HN 0.584 nan 8.230 nan 0.000 0.530 146 L N -0.252 121.081 121.223 0.183 0.000 2.425 146 L HA 0.152 4.491 4.340 -0.000 0.000 0.215 146 L C 2.776 179.813 176.870 0.279 0.000 1.065 146 L CA 0.959 55.988 54.840 0.315 0.000 0.842 146 L CB -1.033 41.176 42.059 0.251 0.000 1.033 146 L HN 0.192 nan 8.230 nan 0.000 0.474 147 A N 0.668 123.583 122.820 0.157 0.000 1.902 147 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 147 A C 2.344 180.011 177.584 0.137 0.000 1.181 147 A CA 2.366 54.486 52.037 0.138 0.000 0.623 147 A CB -0.764 18.289 19.000 0.088 0.000 0.818 147 A HN 0.339 nan 8.150 nan 0.000 0.443 148 T N 0.503 115.108 114.554 0.085 0.000 2.701 148 T HA -0.063 4.287 4.350 -0.000 0.000 0.263 148 T C -0.038 174.693 174.700 0.052 0.000 1.040 148 T CA 1.552 63.680 62.100 0.048 0.000 1.147 148 T CB -1.144 67.706 68.868 -0.030 0.000 0.865 148 T HN 0.504 nan 8.240 nan 0.000 0.426 149 P HA -0.030 nan 4.420 nan 0.000 0.216 149 P C 0.865 178.103 177.300 -0.103 0.000 1.153 149 P CA 1.156 64.235 63.100 -0.034 0.000 0.848 149 P CB -0.278 31.418 31.700 -0.006 0.000 0.787 150 F N -0.156 119.840 119.950 0.078 0.000 2.804 150 F HA 0.162 4.689 4.527 -0.000 0.000 0.303 150 F C 0.824 176.674 175.800 0.084 0.000 1.154 150 F CA 0.170 58.208 58.000 0.063 0.000 1.401 150 F CB -0.985 37.983 39.000 -0.055 0.000 1.106 150 F HN -0.176 nan 8.300 nan 0.000 0.568 151 K N 0.649 121.150 120.400 0.168 0.000 3.257 151 K HA -0.189 4.130 4.320 -0.000 0.000 0.270 151 K C -0.515 176.140 176.600 0.091 0.000 0.984 151 K CA 0.109 56.445 56.287 0.083 0.000 0.739 151 K CB -1.475 31.000 32.500 -0.041 0.000 1.351 151 K HN 0.113 nan 8.250 nan 0.000 0.463 152 I N 0.738 121.425 120.570 0.195 0.000 2.474 152 I HA 0.027 4.196 4.170 -0.000 0.000 0.287 152 I C 1.652 177.952 176.117 0.306 0.000 1.048 152 I CA 0.338 61.767 61.300 0.215 0.000 1.383 152 I CB 0.974 39.092 38.000 0.197 0.000 1.412 152 I HN 0.380 nan 8.210 nan 0.000 0.531 153 H N 3.025 122.142 119.070 0.078 0.000 3.046 153 H HA 0.167 4.722 4.556 -0.000 0.000 0.262 153 H C 1.338 176.687 175.328 0.036 0.000 1.044 153 H CA 0.008 56.085 56.048 0.048 0.000 1.209 153 H CB 1.464 31.249 29.762 0.039 0.000 1.507 153 H HN 0.775 nan 8.280 nan 0.000 0.507 154 G N 1.155 110.046 108.800 0.151 0.000 2.735 154 G HA2 0.184 4.144 3.960 -0.000 0.000 0.192 154 G HA3 0.184 4.144 3.960 -0.000 0.000 0.192 154 G C 0.195 175.115 174.900 0.033 0.000 1.547 154 G CA 0.123 45.266 45.100 0.070 0.000 1.080 154 G HN 0.114 nan 8.290 nan 0.000 0.569 155 V N -0.732 119.169 119.914 -0.020 0.000 2.843 155 V HA 0.465 4.585 4.120 -0.000 0.000 0.305 155 V C -0.227 175.779 176.094 -0.147 0.000 1.065 155 V CA -0.431 61.818 62.300 -0.086 0.000 1.116 155 V CB 1.167 32.862 31.823 -0.212 0.000 0.968 155 V HN 0.715 nan 8.190 nan 0.000 0.487 156 N N 3.253 121.871 118.700 -0.137 0.000 2.599 156 N HA 0.533 5.273 4.740 -0.000 0.000 0.283 156 N C -1.242 174.284 175.510 0.025 0.000 1.160 156 N CA -0.577 52.421 53.050 -0.087 0.000 0.869 156 N CB 1.257 39.757 38.487 0.022 0.000 1.448 156 N HN 1.009 nan 8.380 nan 0.000 0.535 157 Y N -0.819 119.503 120.300 0.035 0.000 2.774 157 Y HA 0.667 5.216 4.550 -0.000 0.000 0.346 157 Y C -1.441 174.478 175.900 0.031 0.000 1.222 157 Y CA -1.185 56.932 58.100 0.028 0.000 1.088 157 Y CB 0.182 38.655 38.460 0.022 0.000 1.354 157 Y HN 0.135 nan 8.280 nan 0.000 0.455 158 S N 1.310 117.203 115.700 0.322 0.000 2.568 158 S HA 0.813 5.283 4.470 -0.000 0.000 0.302 158 S C -0.960 173.770 174.600 0.218 0.000 1.082 158 S CA -0.749 57.579 58.200 0.214 0.000 1.009 158 S CB 1.502 64.777 63.200 0.126 0.000 1.069 158 S HN 0.568 nan 8.310 nan 0.000 0.500 159 I N 2.080 122.756 120.570 0.177 0.000 2.509 159 I HA 0.427 4.596 4.170 -0.000 0.000 0.293 159 I C -0.509 175.677 176.117 0.115 0.000 1.020 159 I CA -0.392 60.991 61.300 0.139 0.000 1.088 159 I CB 2.085 40.184 38.000 0.165 0.000 1.267 159 I HN 0.571 nan 8.210 nan 0.000 0.430 160 S N 3.061 118.817 115.700 0.092 0.000 2.500 160 S HA 0.645 5.114 4.470 -0.000 0.000 0.301 160 S C -0.272 174.395 174.600 0.111 0.000 1.092 160 S CA -0.699 57.559 58.200 0.097 0.000 1.030 160 S CB 1.692 64.937 63.200 0.075 0.000 1.031 160 S HN 0.665 nan 8.310 nan 0.000 0.483 161 S N -0.053 115.738 115.700 0.152 0.000 2.665 161 S HA 0.636 5.105 4.470 -0.000 0.000 0.226 161 S C 0.494 175.208 174.600 0.191 0.000 0.773 161 S CA -0.281 58.034 58.200 0.192 0.000 1.041 161 S CB -0.459 62.942 63.200 0.335 0.000 1.570 161 S HN 1.830 nan 8.310 nan 0.000 0.470 162 A N 0.847 123.749 122.820 0.137 0.000 5.391 162 A HA -0.355 3.965 4.320 -0.000 0.000 0.315 162 A C 1.636 179.288 177.584 0.113 0.000 1.874 162 A CA 1.292 53.393 52.037 0.106 0.000 0.714 162 A CB -2.225 16.863 19.000 0.148 0.000 1.335 162 A HN 1.527 nan 8.150 nan 0.000 0.382 163 C N 0.203 119.605 119.300 0.169 0.000 2.434 163 C HA 0.339 4.799 4.460 -0.000 0.000 0.298 163 C C 2.358 177.435 174.990 0.146 0.000 1.495 163 C CA 1.196 60.368 59.018 0.258 0.000 1.756 163 C CB -2.091 25.945 27.740 0.493 0.000 1.647 163 C HN 1.606 nan 8.230 nan 0.000 0.579 164 A N 0.261 123.148 122.820 0.111 0.000 2.508 164 A HA 0.169 4.489 4.320 -0.000 0.000 0.250 164 A C 1.983 179.593 177.584 0.044 0.000 1.208 164 A CA 0.884 52.925 52.037 0.008 0.000 0.960 164 A CB -0.589 18.388 19.000 -0.039 0.000 1.099 164 A HN 0.473 nan 8.150 nan 0.000 0.542 165 T N 0.582 115.211 114.554 0.126 0.000 2.653 165 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 165 T C 2.025 176.782 174.700 0.095 0.000 1.035 165 T CA 2.992 65.182 62.100 0.149 0.000 1.154 165 T CB -0.637 68.299 68.868 0.114 0.000 0.862 165 T HN 0.714 nan 8.240 nan 0.000 0.441 166 S N 0.992 116.709 115.700 0.029 0.000 2.489 166 S HA 0.387 4.856 4.470 -0.000 0.000 0.228 166 S C 2.394 176.965 174.600 -0.047 0.000 0.995 166 S CA 0.626 58.822 58.200 -0.007 0.000 0.934 166 S CB -0.569 62.612 63.200 -0.032 0.000 0.771 166 S HN 0.777 nan 8.310 nan 0.000 0.522 167 A N 1.755 124.526 122.820 -0.081 0.000 1.897 167 A HA 0.037 4.357 4.320 -0.000 0.000 0.215 167 A C 1.911 179.423 177.584 -0.120 0.000 1.181 167 A CA 1.224 53.178 52.037 -0.138 0.000 0.620 167 A CB -0.994 17.889 19.000 -0.196 0.000 0.821 167 A HN 0.665 nan 8.150 nan 0.000 0.443 168 H N -1.900 117.191 119.070 0.035 0.000 2.457 168 H HA -0.099 4.457 4.556 -0.000 0.000 0.294 168 H C 2.099 177.420 175.328 -0.013 0.000 1.064 168 H CA 1.129 57.221 56.048 0.075 0.000 1.330 168 H CB -0.079 29.759 29.762 0.126 0.000 1.395 168 H HN 0.533 nan 8.280 nan 0.000 0.541 169 C N 0.026 119.379 119.300 0.088 0.000 2.446 169 C HA -0.088 4.372 4.460 -0.000 0.000 0.277 169 C C 2.646 177.597 174.990 -0.066 0.000 1.275 169 C CA 0.658 59.696 59.018 0.034 0.000 1.727 169 C CB -0.683 27.073 27.740 0.025 0.000 2.010 169 C HN 0.533 nan 8.230 nan 0.000 0.486 170 I N 0.879 121.373 120.570 -0.126 0.000 2.202 170 I HA -0.081 4.089 4.170 -0.000 0.000 0.242 170 I C 2.733 178.651 176.117 -0.332 0.000 1.091 170 I CA 1.756 62.941 61.300 -0.193 0.000 1.368 170 I CB -0.938 36.952 38.000 -0.183 0.000 1.058 170 I HN 0.426 nan 8.210 nan 0.000 0.410 171 G N 0.480 108.919 108.800 -0.600 0.000 2.442 171 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.219 171 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.219 171 G C 1.404 175.914 174.900 -0.650 0.000 1.141 171 G CA 1.212 45.486 45.100 -1.377 0.000 0.763 171 G HN 0.334 nan 8.290 nan 0.000 0.554 172 N N 0.446 118.999 118.700 -0.246 0.000 2.244 172 N HA 0.050 4.790 4.740 -0.000 0.000 0.183 172 N C 2.414 177.900 175.510 -0.040 0.000 1.016 172 N CA 1.197 54.243 53.050 -0.007 0.000 0.866 172 N CB -0.185 38.366 38.487 0.106 0.000 0.980 172 N HN 0.278 nan 8.380 nan 0.000 0.430 173 A N -0.189 122.567 122.820 -0.106 0.000 1.902 173 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 173 A C 2.288 179.808 177.584 -0.107 0.000 1.181 173 A CA 1.231 53.200 52.037 -0.113 0.000 0.623 173 A CB -0.816 18.100 19.000 -0.140 0.000 0.818 173 A HN 0.146 nan 8.150 nan 0.000 0.443 174 V N 0.332 120.167 119.914 -0.132 0.000 2.332 174 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 174 V C 2.383 178.460 176.094 -0.029 0.000 1.055 174 V CA 2.336 64.582 62.300 -0.090 0.000 1.038 174 V CB -0.868 30.890 31.823 -0.108 0.000 0.651 174 V HN 0.653 nan 8.190 nan 0.000 0.450 175 E N -0.603 119.597 120.200 0.001 0.000 2.153 175 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 175 E C 2.347 178.963 176.600 0.026 0.000 0.988 175 E CA 0.943 57.373 56.400 0.049 0.000 0.811 175 E CB -0.144 29.616 29.700 0.100 0.000 0.746 175 E HN 0.552 nan 8.360 nan 0.000 0.466 176 Q N 0.199 120.002 119.800 0.005 0.000 2.167 176 Q HA -0.125 4.214 4.340 -0.000 0.000 0.202 176 Q C 2.198 178.186 176.000 -0.021 0.000 0.970 176 Q CA 0.895 56.695 55.803 -0.004 0.000 0.855 176 Q CB -0.099 28.624 28.738 -0.025 0.000 0.911 176 Q HN 0.284 nan 8.270 nan 0.000 0.438 177 I N 1.051 121.598 120.570 -0.037 0.000 2.233 177 I HA -0.246 3.924 4.170 -0.000 0.000 0.243 177 I C 2.355 178.461 176.117 -0.017 0.000 1.093 177 I CA 1.305 62.579 61.300 -0.043 0.000 1.380 177 I CB -0.408 37.556 38.000 -0.058 0.000 1.067 177 I HN 0.185 nan 8.210 nan 0.000 0.413 178 Q N -0.196 119.603 119.800 -0.003 0.000 2.135 178 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 178 Q C 2.077 178.085 176.000 0.013 0.000 0.981 178 Q CA 1.238 57.047 55.803 0.011 0.000 0.856 178 Q CB -0.262 28.492 28.738 0.027 0.000 0.902 178 Q HN 0.469 nan 8.270 nan 0.000 0.425 179 L N -0.336 120.895 121.223 0.014 0.000 2.610 179 L HA 0.070 4.410 4.340 -0.000 0.000 0.232 179 L C 1.097 177.972 176.870 0.009 0.000 1.149 179 L CA 0.331 55.180 54.840 0.015 0.000 0.872 179 L CB -0.348 41.724 42.059 0.022 0.000 0.992 179 L HN 0.421 nan 8.230 nan 0.000 0.447 180 G N 0.478 109.279 108.800 0.002 0.000 2.179 180 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.257 180 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.257 180 G C 0.978 175.877 174.900 -0.002 0.000 1.010 180 G CA 0.787 45.887 45.100 -0.001 0.000 0.736 180 G HN 0.393 nan 8.290 nan 0.000 0.513 181 K N -1.008 119.389 120.400 -0.004 0.000 2.262 181 K HA 0.125 4.445 4.320 -0.000 0.000 0.200 181 K C 1.137 177.727 176.600 -0.017 0.000 1.049 181 K CA 0.874 57.160 56.287 -0.001 0.000 0.979 181 K CB 0.079 32.585 32.500 0.010 0.000 0.773 181 K HN 0.470 nan 8.250 nan 0.000 0.474 182 Q N -0.560 119.216 119.800 -0.040 0.000 2.416 182 Q HA 0.146 4.485 4.340 -0.000 0.000 0.281 182 Q C -0.631 175.297 176.000 -0.119 0.000 1.067 182 Q CA -0.410 55.349 55.803 -0.074 0.000 0.809 182 Q CB 1.964 30.650 28.738 -0.086 0.000 1.418 182 Q HN -0.046 nan 8.270 nan 0.000 0.411 183 D N 0.201 120.489 120.400 -0.187 0.000 2.323 183 D HA 0.264 4.903 4.640 -0.000 0.000 0.218 183 D C 0.281 176.351 176.300 -0.385 0.000 0.973 183 D CA 0.854 54.660 54.000 -0.322 0.000 0.890 183 D CB 1.240 41.715 40.800 -0.541 0.000 1.011 183 D HN 0.362 nan 8.370 nan 0.000 0.499 184 I N 0.856 121.214 120.570 -0.352 0.000 2.582 184 I HA 0.275 4.445 4.170 -0.000 0.000 0.292 184 I C -1.117 174.766 176.117 -0.391 0.000 1.066 184 I CA -0.754 60.303 61.300 -0.405 0.000 1.053 184 I CB 3.280 40.997 38.000 -0.472 0.000 1.241 184 I HN -0.401 nan 8.210 nan 0.000 0.421 185 V N 5.984 125.633 119.914 -0.442 0.000 2.612 185 V HA 0.368 4.488 4.120 -0.000 0.000 0.301 185 V C -0.752 175.092 176.094 -0.416 0.000 1.059 185 V CA -0.576 61.516 62.300 -0.347 0.000 0.886 185 V CB 1.762 33.461 31.823 -0.208 0.000 1.007 185 V HN 0.388 nan 8.190 nan 0.000 0.426 186 F N 3.530 123.374 119.950 -0.177 0.000 2.445 186 F HA 0.678 5.205 4.527 -0.000 0.000 0.359 186 F C 0.758 176.458 175.800 -0.167 0.000 1.101 186 F CA -0.008 57.872 58.000 -0.199 0.000 1.177 186 F CB 1.120 39.963 39.000 -0.262 0.000 1.110 186 F HN 0.568 nan 8.300 nan 0.000 0.522 187 A N 2.677 125.488 122.820 -0.015 0.000 2.371 187 A HA 0.941 5.260 4.320 -0.000 0.000 0.311 187 A C 0.014 177.571 177.584 -0.045 0.000 1.068 187 A CA 0.089 52.098 52.037 -0.047 0.000 0.744 187 A CB 1.398 20.342 19.000 -0.092 0.000 1.239 187 A HN 1.008 nan 8.150 nan 0.000 0.435 188 G N -0.222 108.556 108.800 -0.036 0.000 2.512 188 G HA2 0.726 4.686 3.960 -0.000 0.000 0.181 188 G HA3 0.726 4.686 3.960 -0.000 0.000 0.181 188 G C -0.160 174.732 174.900 -0.012 0.000 1.173 188 G CA 0.409 45.486 45.100 -0.039 0.000 0.988 188 G HN 2.346 nan 8.290 nan 0.000 0.485 189 G N -2.118 106.680 108.800 -0.003 0.000 2.322 189 G HA2 0.785 4.745 3.960 -0.000 0.000 0.295 189 G HA3 0.785 4.745 3.960 -0.000 0.000 0.295 189 G C -0.516 174.408 174.900 0.040 0.000 1.369 189 G CA 0.651 45.765 45.100 0.023 0.000 0.821 189 G HN 2.020 nan 8.290 nan 0.000 0.536 190 G N -1.346 107.492 108.800 0.064 0.000 2.695 190 G HA2 0.723 4.683 3.960 -0.000 0.000 0.290 190 G HA3 0.723 4.683 3.960 -0.000 0.000 0.290 190 G C -1.817 173.143 174.900 0.099 0.000 1.410 190 G CA -0.336 44.828 45.100 0.107 0.000 0.844 190 G HN 0.737 nan 8.290 nan 0.000 0.478 191 E N -0.359 119.932 120.200 0.151 0.000 2.343 191 E HA 0.315 4.665 4.350 -0.000 0.000 0.286 191 E C -0.391 176.303 176.600 0.158 0.000 0.915 191 E CA -0.642 55.819 56.400 0.103 0.000 0.784 191 E CB 1.417 31.141 29.700 0.039 0.000 1.251 191 E HN 0.711 nan 8.360 nan 0.000 0.407 192 E N 3.254 123.500 120.200 0.078 0.000 2.374 192 E HA 0.377 4.727 4.350 -0.000 0.000 0.260 192 E C -0.739 175.879 176.600 0.031 0.000 1.101 192 E CA -0.801 55.630 56.400 0.052 0.000 0.907 192 E CB 1.091 30.788 29.700 -0.006 0.000 1.014 192 E HN 0.248 nan 8.360 nan 0.000 0.427 193 L N 3.110 124.325 121.223 -0.014 0.000 2.316 193 L HA 0.408 4.748 4.340 -0.000 0.000 0.280 193 L C -1.246 175.625 176.870 0.002 0.000 1.006 193 L CA -0.475 54.301 54.840 -0.108 0.000 0.836 193 L CB 0.528 42.334 42.059 -0.423 0.000 1.221 193 L HN 0.902 nan 8.230 nan 0.000 0.418 194 C N 2.288 121.659 119.300 0.119 0.000 3.170 194 C HA 0.454 4.914 4.460 -0.000 0.000 0.319 194 C C 1.177 176.265 174.990 0.163 0.000 1.260 194 C CA -1.047 58.058 59.018 0.144 0.000 1.374 194 C CB 0.767 28.454 27.740 -0.088 0.000 1.739 194 C HN 1.017 nan 8.230 nan 0.000 0.479 195 W N 1.126 122.546 121.300 0.200 0.000 2.363 195 W HA -0.022 4.638 4.660 -0.001 0.000 0.296 195 W C 1.090 177.676 176.519 0.111 0.000 1.212 195 W CA 1.884 59.308 57.345 0.132 0.000 1.260 195 W CB -1.113 28.383 29.460 0.061 0.000 1.131 195 W HN 0.882 nan 8.180 nan 0.000 0.530 196 E N 0.814 120.336 120.200 -1.131 0.000 2.114 196 E HA -0.285 4.065 4.350 -0.000 0.000 0.199 196 E C 2.329 178.738 176.600 -0.319 0.000 1.008 196 E CA 2.993 58.749 56.400 -1.073 0.000 0.810 196 E CB -0.629 28.493 29.700 -0.963 0.000 0.739 196 E HN 0.412 nan 8.360 nan 0.000 0.456 197 M N -0.807 118.714 119.600 -0.133 0.000 2.429 197 M HA 0.144 4.624 4.480 -0.000 0.000 0.265 197 M C 2.078 178.523 176.300 0.242 0.000 1.120 197 M CA 1.121 56.457 55.300 0.060 0.000 1.173 197 M CB 0.174 32.834 32.600 0.099 0.000 1.343 197 M HN 0.131 nan 8.290 nan 0.000 0.464 198 A N 0.501 123.468 122.820 0.245 0.000 1.940 198 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 198 A C 2.339 180.104 177.584 0.302 0.000 1.176 198 A CA 1.841 54.068 52.037 0.316 0.000 0.631 198 A CB -1.770 17.402 19.000 0.287 0.000 0.814 198 A HN 0.880 nan 8.150 nan 0.000 0.446 199 C N -0.633 118.823 119.300 0.259 0.000 2.419 199 C HA -0.044 4.416 4.460 -0.000 0.000 0.281 199 C C 2.159 177.243 174.990 0.156 0.000 1.336 199 C CA 1.025 60.179 59.018 0.227 0.000 1.770 199 C CB -1.509 26.415 27.740 0.306 0.000 1.929 199 C HN 0.654 nan 8.230 nan 0.000 0.509 200 E N 0.418 120.686 120.200 0.113 0.000 2.110 200 E HA -0.109 4.240 4.350 -0.000 0.000 0.193 200 E C 1.749 178.295 176.600 -0.090 0.000 0.988 200 E CA 1.501 57.882 56.400 -0.031 0.000 0.804 200 E CB -0.313 29.294 29.700 -0.154 0.000 0.745 200 E HN 0.802 nan 8.360 nan 0.000 0.458 201 F N 0.851 120.836 119.950 0.057 0.000 2.293 201 F HA -0.095 4.432 4.527 -0.000 0.000 0.297 201 F C 2.174 177.980 175.800 0.009 0.000 1.089 201 F CA 0.810 58.840 58.000 0.050 0.000 1.377 201 F CB 0.012 39.012 39.000 0.001 0.000 1.051 201 F HN -0.040 nan 8.300 nan 0.000 0.511 202 D N 0.327 120.835 120.400 0.180 0.000 2.123 202 D HA -0.109 4.531 4.640 -0.000 0.000 0.200 202 D C 2.288 178.634 176.300 0.077 0.000 0.976 202 D CA 1.196 55.252 54.000 0.094 0.000 0.831 202 D CB -0.231 40.624 40.800 0.091 0.000 0.974 202 D HN 0.130 nan 8.370 nan 0.000 0.469 203 A N 0.813 123.679 122.820 0.076 0.000 2.024 203 A HA -0.151 4.168 4.320 -0.000 0.000 0.220 203 A C 2.148 179.762 177.584 0.049 0.000 1.164 203 A CA 1.879 53.948 52.037 0.054 0.000 0.643 203 A CB -0.797 18.229 19.000 0.044 0.000 0.806 203 A HN 0.528 nan 8.150 nan 0.000 0.451 204 M N -2.954 116.684 119.600 0.064 0.000 2.475 204 M HA 0.484 4.964 4.480 -0.000 0.000 0.261 204 M C 0.948 177.300 176.300 0.088 0.000 1.177 204 M CA 0.487 55.832 55.300 0.075 0.000 0.979 204 M CB -0.091 32.567 32.600 0.097 0.000 1.482 204 M HN 0.531 nan 8.290 nan 0.000 0.484 205 G N 1.063 109.906 108.800 0.072 0.000 2.258 205 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.274 205 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.274 205 G C 0.765 175.704 174.900 0.064 0.000 1.021 205 G CA 0.488 45.621 45.100 0.056 0.000 0.798 205 G HN 0.801 nan 8.290 nan 0.000 0.507 206 A N -1.106 121.767 122.820 0.088 0.000 2.081 206 A HA 0.619 4.939 4.320 -0.000 0.000 0.214 206 A C 1.381 178.838 177.584 -0.212 0.000 1.158 206 A CA 0.761 52.846 52.037 0.079 0.000 0.724 206 A CB 0.136 19.344 19.000 0.346 0.000 0.826 206 A HN 0.639 nan 8.150 nan 0.000 0.463 207 L N -0.348 120.726 121.223 -0.249 0.000 2.399 207 L HA 0.361 4.701 4.340 -0.000 0.000 0.265 207 L C 0.808 177.612 176.870 -0.111 0.000 1.089 207 L CA -0.569 54.073 54.840 -0.330 0.000 0.802 207 L CB 1.230 43.139 42.059 -0.250 0.000 1.180 207 L HN 0.146 nan 8.230 nan 0.000 0.454 208 S N -0.299 115.369 115.700 -0.053 0.000 2.564 208 S HA 0.206 4.676 4.470 -0.000 0.000 0.278 208 S C 0.686 175.294 174.600 0.013 0.000 1.333 208 S CA 0.190 58.422 58.200 0.052 0.000 1.048 208 S CB 0.535 63.815 63.200 0.134 0.000 0.900 208 S HN 0.837 nan 8.310 nan 0.000 0.505 209 T N 1.065 115.622 114.554 0.004 0.000 3.028 209 T HA 0.324 4.674 4.350 -0.000 0.000 0.262 209 T C 0.820 175.441 174.700 -0.132 0.000 0.916 209 T CA -0.433 61.614 62.100 -0.087 0.000 0.873 209 T CB -0.162 68.652 68.868 -0.091 0.000 1.232 209 T HN 0.577 nan 8.240 nan 0.000 0.529 210 K N 0.371 120.667 120.400 -0.174 0.000 2.404 210 K HA 0.251 4.571 4.320 -0.000 0.000 0.194 210 K C -0.376 175.838 176.600 -0.644 0.000 1.023 210 K CA 0.267 56.301 56.287 -0.422 0.000 1.094 210 K CB 0.124 32.280 32.500 -0.573 0.000 0.841 210 K HN 0.492 nan 8.250 nan 0.000 0.523 211 Y N -0.382 119.915 120.300 -0.005 0.000 2.715 211 Y HA 0.204 4.753 4.550 -0.000 0.000 0.255 211 Y C 0.868 176.791 175.900 0.038 0.000 1.139 211 Y CA -0.657 57.453 58.100 0.017 0.000 1.151 211 Y CB 0.144 38.622 38.460 0.029 0.000 1.201 211 Y HN 0.007 nan 8.280 nan 0.000 0.556 212 N N 0.702 119.465 118.700 0.105 0.000 2.364 212 N HA -0.158 4.581 4.740 -0.000 0.000 0.183 212 N C 0.835 176.468 175.510 0.204 0.000 1.022 212 N CA 1.388 54.538 53.050 0.167 0.000 0.883 212 N CB 0.092 38.647 38.487 0.112 0.000 0.965 212 N HN 0.483 nan 8.380 nan 0.000 0.438 213 D N -0.097 120.374 120.400 0.119 0.000 2.234 213 D HA -0.036 4.603 4.640 -0.000 0.000 0.205 213 D C 0.666 177.016 176.300 0.083 0.000 0.962 213 D CA 0.959 55.000 54.000 0.069 0.000 0.855 213 D CB 0.061 40.880 40.800 0.032 0.000 0.951 213 D HN 0.318 nan 8.370 nan 0.000 0.500 214 T N -1.803 112.829 114.554 0.130 0.000 3.327 214 T HA 0.350 4.700 4.350 -0.000 0.000 0.373 214 T C -2.310 172.476 174.700 0.143 0.000 1.589 214 T CA -1.787 60.386 62.100 0.122 0.000 1.497 214 T CB 1.919 70.860 68.868 0.122 0.000 1.032 214 T HN -0.281 nan 8.240 nan 0.000 0.640 215 P HA -0.179 nan 4.420 nan 0.000 0.217 215 P C 1.323 178.685 177.300 0.102 0.000 1.158 215 P CA 1.374 64.568 63.100 0.156 0.000 0.887 215 P CB 0.131 31.943 31.700 0.187 0.000 0.792 216 E N -0.757 119.489 120.200 0.076 0.000 2.472 216 E HA -0.124 4.226 4.350 -0.000 0.000 0.200 216 E C 1.310 177.910 176.600 -0.000 0.000 1.046 216 E CA 0.629 57.052 56.400 0.039 0.000 0.871 216 E CB -0.198 29.522 29.700 0.033 0.000 0.806 216 E HN 0.366 nan 8.360 nan 0.000 0.533 217 K N -0.476 119.916 120.400 -0.014 0.000 2.358 217 K HA 0.220 4.539 4.320 -0.000 0.000 0.200 217 K C 1.610 178.028 176.600 -0.302 0.000 1.030 217 K CA 0.240 56.459 56.287 -0.114 0.000 1.097 217 K CB 0.936 33.393 32.500 -0.072 0.000 0.862 217 K HN -0.014 nan 8.250 nan 0.000 0.534 218 A N 1.445 124.177 122.820 -0.148 0.000 1.858 218 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 218 A C 1.475 178.963 177.584 -0.160 0.000 1.190 218 A CA 1.167 53.121 52.037 -0.139 0.000 0.617 218 A CB -0.234 18.828 19.000 0.103 0.000 0.827 218 A HN 0.144 nan 8.150 nan 0.000 0.443 219 S N 0.609 116.267 115.700 -0.069 0.000 2.414 219 S HA 0.359 4.829 4.470 -0.000 0.000 0.290 219 S C 0.350 174.890 174.600 -0.100 0.000 1.160 219 S CA -0.454 57.719 58.200 -0.046 0.000 1.069 219 S CB -0.283 62.915 63.200 -0.004 0.000 1.012 219 S HN 0.480 nan 8.310 nan 0.000 0.510 220 R N 2.497 122.927 120.500 -0.116 0.000 2.701 220 R HA 0.224 4.564 4.340 -0.000 0.000 0.281 220 R C -0.530 175.706 176.300 -0.106 0.000 1.367 220 R CA -0.674 55.358 56.100 -0.114 0.000 1.510 220 R CB -0.665 29.544 30.300 -0.152 0.000 1.306 220 R HN 0.341 nan 8.270 nan 0.000 0.682 221 T N 1.530 115.975 114.554 -0.183 0.000 2.867 221 T HA -0.123 4.226 4.350 -0.000 0.000 0.290 221 T C 0.220 174.719 174.700 -0.334 0.000 1.025 221 T CA 1.051 62.914 62.100 -0.395 0.000 1.146 221 T CB -0.183 68.289 68.868 -0.660 0.000 1.024 221 T HN 0.660 nan 8.240 nan 0.000 0.519 222 Y N -1.636 118.673 120.300 0.014 0.000 4.894 222 Y HA -0.262 4.288 4.550 -0.000 0.000 0.270 222 Y C 0.831 176.733 175.900 0.003 0.000 0.930 222 Y CA 0.508 58.615 58.100 0.011 0.000 1.814 222 Y CB -1.473 36.992 38.460 0.009 0.000 1.235 222 Y HN 0.703 nan 8.280 nan 0.000 0.480 223 D N 1.105 121.567 120.400 0.103 0.000 2.350 223 D HA 0.491 5.131 4.640 -0.000 0.000 0.249 223 D C 1.131 177.446 176.300 0.025 0.000 1.119 223 D CA 0.773 54.814 54.000 0.069 0.000 0.886 223 D CB 1.416 42.245 40.800 0.049 0.000 1.195 223 D HN 0.253 nan 8.370 nan 0.000 0.437 224 A N 3.232 126.023 122.820 -0.047 0.000 2.131 224 A HA -0.181 4.138 4.320 -0.000 0.000 0.220 224 A C 1.047 178.394 177.584 -0.395 0.000 1.158 224 A CA 1.403 53.300 52.037 -0.233 0.000 0.665 224 A CB -0.574 18.214 19.000 -0.353 0.000 0.795 224 A HN 0.795 nan 8.150 nan 0.000 0.460 225 H N -0.995 118.132 119.070 0.095 0.000 2.512 225 H HA 0.175 4.731 4.556 -0.000 0.000 0.276 225 H C 0.655 176.094 175.328 0.186 0.000 1.126 225 H CA -0.342 55.791 56.048 0.143 0.000 1.060 225 H CB 0.167 30.039 29.762 0.184 0.000 1.646 225 H HN 0.592 nan 8.280 nan 0.000 0.571 226 R N 1.649 122.247 120.500 0.163 0.000 2.784 226 R HA 0.010 4.350 4.340 -0.000 0.000 0.266 226 R C -0.562 175.852 176.300 0.190 0.000 1.044 226 R CA 0.538 56.718 56.100 0.134 0.000 1.151 226 R CB 0.437 30.770 30.300 0.055 0.000 1.037 226 R HN 0.248 nan 8.270 nan 0.000 0.478 227 D N -0.145 120.376 120.400 0.202 0.000 3.118 227 D HA 0.232 4.872 4.640 -0.000 0.000 0.352 227 D C -0.060 176.315 176.300 0.125 0.000 1.498 227 D CA 0.128 54.229 54.000 0.169 0.000 0.759 227 D CB 0.183 41.097 40.800 0.190 0.000 1.251 227 D HN 0.967 nan 8.370 nan 0.000 0.504 228 G N 0.326 109.198 108.800 0.120 0.000 2.515 228 G HA2 0.236 4.196 3.960 -0.000 0.000 0.686 228 G HA3 0.236 4.196 3.960 -0.000 0.000 0.686 228 G C -0.537 174.443 174.900 0.134 0.000 1.274 228 G CA -0.679 44.483 45.100 0.102 0.000 0.874 228 G HN 0.426 nan 8.290 nan 0.000 0.631 229 F N -0.555 119.460 119.950 0.109 0.000 2.368 229 F HA 0.808 5.334 4.527 -0.001 0.000 0.315 229 F C 0.268 176.112 175.800 0.073 0.000 1.145 229 F CA -1.530 56.518 58.000 0.080 0.000 1.095 229 F CB 1.295 40.364 39.000 0.115 0.000 1.286 229 F HN 0.424 nan 8.300 nan 0.000 0.530 230 V N 4.478 124.637 119.914 0.409 0.000 2.311 230 V HA 0.236 4.356 4.120 -0.000 0.000 0.275 230 V C 0.329 176.659 176.094 0.394 0.000 1.022 230 V CA -0.814 61.646 62.300 0.267 0.000 0.830 230 V CB 0.806 32.738 31.823 0.183 0.000 1.012 230 V HN 0.843 nan 8.190 nan 0.000 0.452 231 I N 4.762 125.524 120.570 0.320 0.000 2.872 231 I HA 0.397 4.567 4.170 -0.000 0.000 0.291 231 I C 0.570 176.782 176.117 0.158 0.000 1.216 231 I CA 0.767 62.230 61.300 0.272 0.000 1.424 231 I CB 0.747 38.831 38.000 0.140 0.000 1.351 231 I HN 0.790 nan 8.210 nan 0.000 0.592 232 A N 4.578 127.420 122.820 0.036 0.000 2.588 232 A HA 0.883 5.203 4.320 -0.000 0.000 0.290 232 A C -0.669 176.855 177.584 -0.099 0.000 1.136 232 A CA -0.024 51.985 52.037 -0.047 0.000 0.681 232 A CB 1.184 20.178 19.000 -0.011 0.000 1.282 232 A HN 0.865 nan 8.150 nan 0.000 0.421 233 G N -1.985 106.727 108.800 -0.146 0.000 2.798 233 G HA2 0.956 4.916 3.960 -0.000 0.000 0.286 233 G HA3 0.956 4.916 3.960 -0.000 0.000 0.286 233 G C -0.085 174.701 174.900 -0.191 0.000 1.389 233 G CA -0.213 44.830 45.100 -0.095 0.000 0.894 233 G HN 2.374 nan 8.290 nan 0.000 0.488 234 G N -2.183 106.510 108.800 -0.177 0.000 2.340 234 G HA2 0.608 4.568 3.960 -0.000 0.000 0.282 234 G HA3 0.608 4.568 3.960 -0.000 0.000 0.282 234 G C -0.340 174.510 174.900 -0.084 0.000 1.312 234 G CA 0.203 45.023 45.100 -0.468 0.000 0.942 234 G HN 1.917 nan 8.290 nan 0.000 0.495 235 G N -1.823 106.919 108.800 -0.096 0.000 2.725 235 G HA2 1.060 5.020 3.960 -0.000 0.000 0.288 235 G HA3 1.060 5.020 3.960 -0.000 0.000 0.288 235 G C -0.281 174.599 174.900 -0.033 0.000 1.399 235 G CA 0.176 45.292 45.100 0.028 0.000 0.859 235 G HN 2.067 nan 8.290 nan 0.000 0.479 236 G N -1.429 107.353 108.800 -0.030 0.000 2.673 236 G HA2 0.677 4.636 3.960 -0.000 0.000 0.292 236 G HA3 0.677 4.636 3.960 -0.000 0.000 0.292 236 G C -1.694 173.168 174.900 -0.062 0.000 1.450 236 G CA -0.588 44.470 45.100 -0.071 0.000 0.837 236 G HN 1.035 nan 8.290 nan 0.000 0.505 237 M N 0.811 120.364 119.600 -0.078 0.000 2.346 237 M HA 0.552 5.032 4.480 -0.000 0.000 0.287 237 M C -1.207 175.051 176.300 -0.070 0.000 1.100 237 M CA -0.553 54.707 55.300 -0.067 0.000 0.950 237 M CB 2.078 34.633 32.600 -0.075 0.000 1.815 237 M HN 1.250 nan 8.290 nan 0.000 0.497 238 V N 1.725 121.601 119.914 -0.064 0.000 2.864 238 V HA 0.921 5.041 4.120 -0.000 0.000 0.314 238 V C -1.057 174.998 176.094 -0.066 0.000 1.073 238 V CA -0.913 61.340 62.300 -0.078 0.000 0.956 238 V CB 1.929 33.680 31.823 -0.119 0.000 1.023 238 V HN 0.610 nan 8.190 nan 0.000 0.435 239 V N 3.586 123.448 119.914 -0.085 0.000 2.334 239 V HA 0.321 4.441 4.120 -0.000 0.000 0.267 239 V C 0.151 176.119 176.094 -0.209 0.000 1.040 239 V CA -0.335 61.835 62.300 -0.216 0.000 0.866 239 V CB 1.041 32.750 31.823 -0.191 0.000 1.019 239 V HN 0.731 nan 8.190 nan 0.000 0.468 240 V N 5.037 124.799 119.914 -0.253 0.000 2.461 240 V HA 0.428 4.547 4.120 -0.000 0.000 0.275 240 V C 0.148 176.107 176.094 -0.225 0.000 1.047 240 V CA -0.231 61.952 62.300 -0.194 0.000 0.955 240 V CB 1.204 32.921 31.823 -0.177 0.000 0.988 240 V HN 0.930 nan 8.190 nan 0.000 0.471 241 E N 2.502 122.606 120.200 -0.160 0.000 2.340 241 E HA 0.306 4.656 4.350 -0.000 0.000 0.273 241 E C -0.832 175.713 176.600 -0.092 0.000 0.891 241 E CA -0.756 55.551 56.400 -0.155 0.000 0.757 241 E CB 1.878 31.507 29.700 -0.119 0.000 1.231 241 E HN 0.715 nan 8.360 nan 0.000 0.439 242 E N 3.813 123.959 120.200 -0.089 0.000 2.376 242 E HA -0.035 4.315 4.350 -0.000 0.000 0.266 242 E C 0.937 177.546 176.600 0.015 0.000 1.009 242 E CA -0.122 56.258 56.400 -0.032 0.000 0.902 242 E CB 1.028 30.715 29.700 -0.023 0.000 0.972 242 E HN 0.583 nan 8.360 nan 0.000 0.439 243 L N 5.681 126.907 121.223 0.004 0.000 1.991 243 L HA -0.270 4.069 4.340 -0.000 0.000 0.221 243 L C 1.862 178.744 176.870 0.021 0.000 1.079 243 L CA 2.064 56.908 54.840 0.006 0.000 0.778 243 L CB -0.493 41.565 42.059 -0.002 0.000 0.893 243 L HN 0.559 nan 8.230 nan 0.000 0.437 244 E N -1.165 119.052 120.200 0.029 0.000 2.118 244 E HA -0.242 4.107 4.350 -0.000 0.000 0.195 244 E C 2.240 178.860 176.600 0.034 0.000 0.992 244 E CA 1.303 57.718 56.400 0.024 0.000 0.804 244 E CB -0.562 29.152 29.700 0.023 0.000 0.741 244 E HN 0.672 nan 8.360 nan 0.000 0.458 245 H N 0.181 119.236 119.070 -0.026 0.000 2.299 245 H HA 0.002 4.557 4.556 -0.000 0.000 0.302 245 H C 1.827 177.138 175.328 -0.029 0.000 1.078 245 H CA 1.745 57.777 56.048 -0.026 0.000 1.323 245 H CB 0.108 29.851 29.762 -0.032 0.000 1.381 245 H HN 0.123 nan 8.280 nan 0.000 0.498 246 A N 1.475 124.377 122.820 0.137 0.000 1.883 246 A HA -0.141 4.178 4.320 -0.000 0.000 0.217 246 A C 2.930 180.510 177.584 -0.008 0.000 1.186 246 A CA 1.488 53.563 52.037 0.064 0.000 0.624 246 A CB -1.021 17.995 19.000 0.027 0.000 0.822 246 A HN 0.428 nan 8.150 nan 0.000 0.444 247 L N -0.838 120.375 121.223 -0.017 0.000 1.994 247 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 247 L C 3.037 179.879 176.870 -0.046 0.000 1.071 247 L CA 1.170 55.992 54.840 -0.030 0.000 0.745 247 L CB -0.556 41.489 42.059 -0.024 0.000 0.892 247 L HN 0.448 nan 8.230 nan 0.000 0.431 248 A N 0.491 123.270 122.820 -0.067 0.000 2.194 248 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 248 A C 2.029 179.555 177.584 -0.098 0.000 1.162 248 A CA 1.782 53.766 52.037 -0.088 0.000 0.674 248 A CB -0.606 18.322 19.000 -0.120 0.000 0.789 248 A HN 0.646 nan 8.150 nan 0.000 0.470 249 R N -2.301 118.142 120.500 -0.095 0.000 2.543 249 R HA 0.401 4.740 4.340 -0.000 0.000 0.323 249 R C 0.888 177.167 176.300 -0.034 0.000 1.002 249 R CA 0.532 56.589 56.100 -0.073 0.000 1.106 249 R CB -0.606 29.640 30.300 -0.089 0.000 1.280 249 R HN 0.700 nan 8.270 nan 0.000 0.549 250 G N 0.946 109.728 108.800 -0.030 0.000 2.221 250 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.265 250 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.265 250 G C 0.327 175.225 174.900 -0.003 0.000 1.041 250 G CA 0.151 45.242 45.100 -0.015 0.000 0.807 250 G HN 0.706 nan 8.290 nan 0.000 0.502 251 A N 0.268 123.084 122.820 -0.007 0.000 2.498 251 A HA 0.485 4.805 4.320 -0.000 0.000 0.239 251 A C 0.657 178.236 177.584 -0.008 0.000 1.068 251 A CA 0.259 52.298 52.037 0.004 0.000 0.766 251 A CB 0.162 19.162 19.000 0.000 0.000 1.003 251 A HN 0.974 nan 8.150 nan 0.000 0.497 252 H N 2.713 121.729 119.070 -0.091 0.000 2.723 252 H HA 0.371 4.927 4.556 -0.000 0.000 0.294 252 H C -1.015 174.191 175.328 -0.202 0.000 1.079 252 H CA -0.140 55.808 56.048 -0.167 0.000 1.411 252 H CB 0.271 29.897 29.762 -0.226 0.000 1.439 252 H HN 0.502 nan 8.280 nan 0.000 0.474 253 I N 6.856 127.050 120.570 -0.627 0.000 2.307 253 I HA -0.034 4.136 4.170 -0.000 0.000 0.289 253 I C 0.203 175.965 176.117 -0.592 0.000 1.021 253 I CA -0.498 60.529 61.300 -0.454 0.000 1.224 253 I CB 0.864 38.738 38.000 -0.210 0.000 1.376 253 I HN 0.679 nan 8.210 nan 0.000 0.470 254 Y N 5.325 125.388 120.300 -0.395 0.000 2.133 254 Y HA 0.122 4.672 4.550 -0.000 0.000 0.287 254 Y C 1.295 177.107 175.900 -0.145 0.000 1.134 254 Y CA 1.165 59.120 58.100 -0.242 0.000 1.133 254 Y CB 0.048 38.443 38.460 -0.108 0.000 0.987 254 Y HN 0.649 nan 8.280 nan 0.000 0.502 255 A N -1.120 121.734 122.820 0.057 0.000 2.544 255 A HA 0.381 4.700 4.320 -0.000 0.000 0.291 255 A C -1.444 176.140 177.584 0.000 0.000 1.055 255 A CA -0.854 51.193 52.037 0.017 0.000 0.651 255 A CB 0.718 19.738 19.000 0.033 0.000 1.296 255 A HN 0.043 nan 8.150 nan 0.000 0.431 256 E N 0.341 120.539 120.200 -0.004 0.000 2.204 256 E HA 0.559 4.909 4.350 -0.000 0.000 0.276 256 E C -1.092 175.508 176.600 -0.000 0.000 0.974 256 E CA -0.587 55.809 56.400 -0.007 0.000 0.815 256 E CB 0.870 30.567 29.700 -0.005 0.000 1.119 256 E HN 0.466 nan 8.360 nan 0.000 0.393 257 I N 5.671 126.237 120.570 -0.006 0.000 2.260 257 I HA -0.002 4.168 4.170 -0.000 0.000 0.297 257 I C 1.247 177.379 176.117 0.024 0.000 1.143 257 I CA -0.180 61.121 61.300 0.001 0.000 1.271 257 I CB 0.527 38.512 38.000 -0.025 0.000 1.461 257 I HN 0.429 nan 8.210 nan 0.000 0.530 258 V N 2.342 122.277 119.914 0.035 0.000 3.541 258 V HA 0.415 4.535 4.120 -0.000 0.000 0.267 258 V C 0.824 176.959 176.094 0.069 0.000 1.213 258 V CA 0.324 62.651 62.300 0.046 0.000 1.149 258 V CB -0.488 31.358 31.823 0.038 0.000 0.822 258 V HN 0.656 nan 8.190 nan 0.000 0.462 259 G N -0.574 108.278 108.800 0.087 0.000 2.746 259 G HA2 0.538 4.497 3.960 -0.000 0.000 0.297 259 G HA3 0.538 4.497 3.960 -0.000 0.000 0.297 259 G C -2.241 172.770 174.900 0.186 0.000 1.426 259 G CA -0.558 44.612 45.100 0.117 0.000 0.989 259 G HN 0.298 nan 8.290 nan 0.000 0.520 260 Y N 1.547 121.866 120.300 0.031 0.000 2.301 260 Y HA 0.652 5.202 4.550 -0.000 0.000 0.325 260 Y C -0.098 175.827 175.900 0.043 0.000 1.103 260 Y CA -1.334 56.784 58.100 0.030 0.000 1.182 260 Y CB 1.512 39.989 38.460 0.027 0.000 1.139 260 Y HN 0.811 nan 8.280 nan 0.000 0.443 261 G N 3.096 111.832 108.800 -0.107 0.000 2.388 261 G HA2 0.717 4.677 3.960 -0.000 0.000 0.330 261 G HA3 0.717 4.677 3.960 -0.000 0.000 0.330 261 G C -1.494 173.243 174.900 -0.272 0.000 1.142 261 G CA -0.553 44.412 45.100 -0.225 0.000 0.908 261 G HN 1.140 nan 8.290 nan 0.000 0.473 262 A N 1.707 124.363 122.820 -0.273 0.000 2.530 262 A HA 0.792 5.112 4.320 -0.000 0.000 0.279 262 A C 0.029 177.606 177.584 -0.011 0.000 1.109 262 A CA -0.107 51.907 52.037 -0.039 0.000 0.763 262 A CB 1.042 20.005 19.000 -0.062 0.000 1.257 262 A HN 1.439 nan 8.150 nan 0.000 0.424 263 T N -1.435 113.153 114.554 0.057 0.000 2.858 263 T HA 0.864 5.214 4.350 -0.000 0.000 0.285 263 T C -0.165 174.558 174.700 0.039 0.000 1.052 263 T CA -0.616 61.493 62.100 0.016 0.000 1.009 263 T CB 1.853 70.713 68.868 -0.013 0.000 1.241 263 T HN 1.040 nan 8.240 nan 0.000 0.542 264 S N -1.028 114.675 115.700 0.005 0.000 2.536 264 S HA 0.465 4.935 4.470 -0.000 0.000 0.287 264 S C -0.146 174.444 174.600 -0.016 0.000 1.101 264 S CA -0.613 57.591 58.200 0.007 0.000 0.950 264 S CB 1.644 64.845 63.200 0.000 0.000 1.056 264 S HN 0.732 nan 8.310 nan 0.000 0.481 265 D N 2.415 122.806 120.400 -0.017 0.000 2.137 265 D HA 0.158 4.798 4.640 -0.000 0.000 0.202 265 D C 1.469 177.754 176.300 -0.025 0.000 0.970 265 D CA 1.417 55.396 54.000 -0.035 0.000 0.837 265 D CB -0.448 40.330 40.800 -0.038 0.000 0.981 265 D HN 0.969 nan 8.370 nan 0.000 0.475 266 G N 0.073 108.865 108.800 -0.012 0.000 2.341 266 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.292 266 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.292 266 G C 0.695 175.587 174.900 -0.013 0.000 1.021 266 G CA 0.958 46.052 45.100 -0.010 0.000 0.905 266 G HN 0.598 nan 8.290 nan 0.000 0.508 267 A N -1.263 121.549 122.820 -0.014 0.000 1.791 267 A HA 0.552 4.872 4.320 -0.000 0.000 0.177 267 A C 0.460 178.036 177.584 -0.013 0.000 1.851 267 A CA 0.765 52.792 52.037 -0.016 0.000 1.130 267 A CB 0.670 19.656 19.000 -0.023 0.000 0.958 267 A HN 0.320 nan 8.150 nan 0.000 0.637 268 D N 0.426 120.816 120.400 -0.017 0.000 2.342 268 D HA 0.483 5.122 4.640 -0.000 0.000 0.243 268 D C -0.766 175.523 176.300 -0.018 0.000 1.019 268 D CA -0.331 53.658 54.000 -0.018 0.000 0.864 268 D CB 1.414 42.198 40.800 -0.026 0.000 1.315 268 D HN 0.124 nan 8.370 nan 0.000 0.468 269 M N 1.321 120.911 119.600 -0.017 0.000 2.250 269 M HA 0.031 4.511 4.480 -0.000 0.000 0.344 269 M C 1.606 177.862 176.300 -0.074 0.000 1.150 269 M CA -0.047 55.245 55.300 -0.013 0.000 1.147 269 M CB 1.266 33.870 32.600 0.007 0.000 1.498 269 M HN 0.544 nan 8.290 nan 0.000 0.461 270 V N -0.723 119.107 119.914 -0.139 0.000 1.106 270 V HA -0.335 3.784 4.120 -0.000 0.000 0.035 270 V C 0.504 176.385 176.094 -0.356 0.000 2.098 270 V CA 1.584 63.609 62.300 -0.458 0.000 3.032 270 V CB -2.555 29.002 31.823 -0.444 0.000 1.433 270 V HN 1.032 nan 8.190 nan 0.000 0.979 271 A N 2.871 125.594 122.820 -0.161 0.000 2.301 271 A HA 0.806 5.126 4.320 -0.000 0.000 0.298 271 A C -1.605 175.946 177.584 -0.056 0.000 1.185 271 A CA -1.098 50.886 52.037 -0.090 0.000 0.830 271 A CB 0.533 19.501 19.000 -0.053 0.000 1.112 271 A HN 0.680 nan 8.150 nan 0.000 0.508 272 P HA 0.325 nan 4.420 nan 0.000 0.290 272 P C -0.483 176.785 177.300 -0.053 0.000 1.276 272 P CA -0.226 62.851 63.100 -0.038 0.000 0.808 272 P CB 1.574 33.270 31.700 -0.007 0.000 0.966 273 S N 0.869 116.520 115.700 -0.081 0.000 2.475 273 S HA 0.506 4.975 4.470 -0.000 0.000 0.298 273 S C 1.476 176.005 174.600 -0.117 0.000 1.119 273 S CA -0.180 57.974 58.200 -0.077 0.000 1.085 273 S CB 1.231 64.392 63.200 -0.065 0.000 1.028 273 S HN 0.499 nan 8.310 nan 0.000 0.489 274 G N 2.362 111.107 108.800 -0.092 0.000 2.446 274 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 274 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 274 G C 1.200 176.024 174.900 -0.127 0.000 1.168 274 G CA 1.139 46.173 45.100 -0.110 0.000 0.771 274 G HN 0.990 nan 8.290 nan 0.000 0.551 275 E N 0.670 120.815 120.200 -0.092 0.000 2.169 275 E HA -0.053 4.297 4.350 -0.000 0.000 0.202 275 E C 2.310 178.848 176.600 -0.104 0.000 1.016 275 E CA 1.968 58.318 56.400 -0.083 0.000 0.817 275 E CB -1.043 28.620 29.700 -0.061 0.000 0.736 275 E HN 0.302 nan 8.360 nan 0.000 0.462 276 G N 0.218 108.939 108.800 -0.132 0.000 2.394 276 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.215 276 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.215 276 G C 1.764 176.541 174.900 -0.205 0.000 1.165 276 G CA 0.868 45.883 45.100 -0.141 0.000 0.784 276 G HN 0.507 nan 8.290 nan 0.000 0.535 277 A N 0.311 122.914 122.820 -0.363 0.000 1.902 277 A HA 0.085 4.405 4.320 -0.000 0.000 0.217 277 A C 2.591 180.062 177.584 -0.189 0.000 1.181 277 A CA 1.745 53.454 52.037 -0.547 0.000 0.623 277 A CB -0.682 17.764 19.000 -0.924 0.000 0.818 277 A HN 0.231 nan 8.150 nan 0.000 0.443 278 V N 0.039 119.869 119.914 -0.140 0.000 2.287 278 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 278 V C 2.666 178.722 176.094 -0.064 0.000 1.053 278 V CA 2.399 64.653 62.300 -0.077 0.000 1.027 278 V CB -0.805 30.974 31.823 -0.074 0.000 0.646 278 V HN 0.529 nan 8.190 nan 0.000 0.447 279 R N -1.244 119.215 120.500 -0.068 0.000 2.096 279 R HA -0.181 4.159 4.340 -0.000 0.000 0.235 279 R C 2.413 178.693 176.300 -0.033 0.000 1.127 279 R CA 1.687 57.755 56.100 -0.052 0.000 0.968 279 R CB -0.816 29.451 30.300 -0.055 0.000 0.861 279 R HN 0.571 nan 8.270 nan 0.000 0.440 280 C N 0.701 119.992 119.300 -0.016 0.000 2.436 280 C HA -0.097 4.363 4.460 -0.000 0.000 0.277 280 C C 2.623 177.649 174.990 0.060 0.000 1.241 280 C CA 0.935 59.975 59.018 0.038 0.000 1.721 280 C CB -0.680 27.138 27.740 0.131 0.000 2.043 280 C HN 0.465 nan 8.230 nan 0.000 0.472 281 M N -0.033 119.616 119.600 0.082 0.000 2.086 281 M HA -0.163 4.316 4.480 -0.000 0.000 0.261 281 M C 2.282 178.585 176.300 0.005 0.000 1.067 281 M CA 1.879 57.227 55.300 0.081 0.000 1.116 281 M CB -0.503 32.158 32.600 0.102 0.000 1.348 281 M HN 0.342 nan 8.290 nan 0.000 0.407 282 K N 0.097 120.473 120.400 -0.039 0.000 2.063 282 K HA -0.166 4.153 4.320 -0.000 0.000 0.208 282 K C 1.976 178.582 176.600 0.010 0.000 1.048 282 K CA 1.526 57.783 56.287 -0.050 0.000 0.928 282 K CB -0.206 32.261 32.500 -0.055 0.000 0.713 282 K HN 0.315 nan 8.250 nan 0.000 0.442 283 M N -0.003 119.598 119.600 0.001 0.000 2.213 283 M HA -0.127 4.353 4.480 -0.000 0.000 0.263 283 M C 1.876 178.189 176.300 0.020 0.000 1.062 283 M CA 1.563 56.858 55.300 -0.008 0.000 1.105 283 M CB 0.040 32.603 32.600 -0.062 0.000 1.385 283 M HN 0.162 nan 8.290 nan 0.000 0.417 284 A N 0.139 122.979 122.820 0.032 0.000 2.016 284 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 284 A C 1.955 179.585 177.584 0.077 0.000 1.162 284 A CA 0.949 53.024 52.037 0.063 0.000 0.662 284 A CB -0.405 18.645 19.000 0.082 0.000 0.812 284 A HN 0.589 nan 8.150 nan 0.000 0.450 285 M N -0.915 118.721 119.600 0.061 0.000 2.388 285 M HA 0.022 4.502 4.480 -0.000 0.000 0.265 285 M C 0.594 176.921 176.300 0.046 0.000 1.088 285 M CA 0.340 55.666 55.300 0.043 0.000 1.134 285 M CB -0.625 31.964 32.600 -0.018 0.000 1.384 285 M HN 0.423 nan 8.290 nan 0.000 0.447 286 H N 1.291 120.351 119.070 -0.016 0.000 3.167 286 H HA -0.024 4.532 4.556 -0.000 0.000 0.306 286 H C 1.114 176.441 175.328 -0.001 0.000 0.965 286 H CA 1.994 58.033 56.048 -0.015 0.000 1.408 286 H CB 0.373 30.124 29.762 -0.019 0.000 1.406 286 H HN 0.621 nan 8.280 nan 0.000 0.576 287 G N 3.768 112.479 108.800 -0.148 0.000 2.205 287 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.261 287 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.261 287 G C 0.214 175.106 174.900 -0.013 0.000 0.980 287 G CA 0.280 45.357 45.100 -0.038 0.000 0.632 287 G HN 0.604 nan 8.290 nan 0.000 0.533 288 V N 2.941 122.850 119.914 -0.009 0.000 2.356 288 V HA 0.329 4.449 4.120 -0.000 0.000 0.258 288 V C 1.140 177.232 176.094 -0.003 0.000 1.065 288 V CA 0.258 62.564 62.300 0.010 0.000 0.935 288 V CB 1.197 33.041 31.823 0.034 0.000 1.061 288 V HN 0.468 nan 8.190 nan 0.000 0.484 289 D N 2.474 122.872 120.400 -0.003 0.000 2.363 289 D HA -0.038 4.602 4.640 -0.000 0.000 0.226 289 D C 0.856 177.161 176.300 0.008 0.000 1.020 289 D CA 0.211 54.207 54.000 -0.006 0.000 0.892 289 D CB -0.066 40.730 40.800 -0.008 0.000 0.900 289 D HN 0.586 nan 8.370 nan 0.000 0.531 290 T N -2.135 112.431 114.554 0.019 0.000 2.918 290 T HA 0.594 4.944 4.350 -0.000 0.000 0.286 290 T C -2.762 171.966 174.700 0.047 0.000 1.026 290 T CA -1.820 60.297 62.100 0.028 0.000 1.031 290 T CB 2.385 71.269 68.868 0.026 0.000 1.046 290 T HN -0.171 nan 8.240 nan 0.000 0.479 291 P HA 0.369 nan 4.420 nan 0.000 0.281 291 P C -0.466 176.878 177.300 0.073 0.000 1.249 291 P CA -0.791 62.356 63.100 0.078 0.000 0.810 291 P CB 0.557 32.294 31.700 0.062 0.000 1.008 292 I N 3.249 123.880 120.570 0.101 0.000 2.505 292 I HA -0.022 4.148 4.170 -0.000 0.000 0.287 292 I C 1.340 177.441 176.117 -0.027 0.000 1.104 292 I CA 0.488 61.810 61.300 0.037 0.000 1.387 292 I CB -0.454 37.552 38.000 0.010 0.000 1.404 292 I HN 0.328 nan 8.210 nan 0.000 0.528 293 D N 5.267 125.673 120.400 0.010 0.000 2.213 293 D HA -0.090 4.550 4.640 -0.000 0.000 0.205 293 D C 0.101 176.439 176.300 0.062 0.000 0.961 293 D CA 1.312 55.327 54.000 0.025 0.000 0.853 293 D CB 0.347 41.173 40.800 0.044 0.000 0.967 293 D HN 0.529 nan 8.370 nan 0.000 0.496 294 Y N 0.196 120.444 120.300 -0.087 0.000 2.479 294 Y HA 0.454 5.004 4.550 -0.000 0.000 0.338 294 Y C -1.988 173.855 175.900 -0.095 0.000 1.055 294 Y CA -1.053 56.988 58.100 -0.098 0.000 1.023 294 Y CB 1.339 39.743 38.460 -0.094 0.000 1.287 294 Y HN -0.244 nan 8.280 nan 0.000 0.447 295 L N 6.265 126.903 121.223 -0.975 0.000 2.325 295 L HA 0.521 4.861 4.340 -0.000 0.000 0.281 295 L C -1.224 175.040 176.870 -1.010 0.000 1.004 295 L CA -0.663 53.716 54.840 -0.767 0.000 0.823 295 L CB 1.143 42.936 42.059 -0.443 0.000 1.236 295 L HN 0.850 nan 8.230 nan 0.000 0.415 296 N N 2.679 120.986 118.700 -0.656 0.000 2.558 296 N HA 0.192 4.932 4.740 -0.000 0.000 0.233 296 N C -0.264 175.151 175.510 -0.157 0.000 1.038 296 N CA -0.415 52.456 53.050 -0.299 0.000 0.934 296 N CB 0.805 39.280 38.487 -0.019 0.000 1.175 296 N HN 0.632 nan 8.380 nan 0.000 0.512 297 S N 1.954 117.598 115.700 -0.093 0.000 2.589 297 S HA -0.017 4.453 4.470 -0.000 0.000 0.265 297 S C 1.211 175.782 174.600 -0.049 0.000 1.342 297 S CA -0.208 57.982 58.200 -0.016 0.000 1.005 297 S CB 1.021 64.303 63.200 0.138 0.000 0.909 297 S HN 0.791 nan 8.310 nan 0.000 0.555 298 H N 1.955 120.926 119.070 -0.165 0.000 2.395 298 H HA 0.172 4.728 4.556 -0.000 0.000 0.299 298 H C 1.504 176.734 175.328 -0.164 0.000 1.070 298 H CA 0.996 56.901 56.048 -0.237 0.000 1.356 298 H CB -1.054 28.524 29.762 -0.307 0.000 1.401 298 H HN 0.992 nan 8.280 nan 0.000 0.524 299 G N 1.143 109.867 108.800 -0.126 0.000 2.629 299 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.334 299 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.334 299 G C 1.024 175.691 174.900 -0.388 0.000 0.208 299 G CA 1.002 45.951 45.100 -0.252 0.000 1.166 299 G HN 0.759 nan 8.290 nan 0.000 0.475 300 T N -1.045 113.278 114.554 -0.384 0.000 3.129 300 T HA 0.335 4.685 4.350 -0.000 0.000 0.251 300 T C 1.367 176.038 174.700 -0.047 0.000 1.117 300 T CA 0.962 62.883 62.100 -0.298 0.000 1.034 300 T CB 0.230 68.926 68.868 -0.286 0.000 0.968 300 T HN 1.671 nan 8.240 nan 0.000 0.526 301 S N 0.571 116.218 115.700 -0.088 0.000 3.461 301 S HA -0.136 4.334 4.470 -0.000 0.000 0.282 301 S C 0.245 174.885 174.600 0.067 0.000 1.262 301 S CA 0.630 58.807 58.200 -0.037 0.000 0.853 301 S CB -2.200 60.996 63.200 -0.007 0.000 1.048 301 S HN 1.261 nan 8.310 nan 0.000 0.644 302 T N -0.860 113.755 114.554 0.102 0.000 2.867 302 T HA 0.671 5.020 4.350 -0.000 0.000 0.282 302 T C -1.332 173.432 174.700 0.106 0.000 1.000 302 T CA -1.504 60.681 62.100 0.143 0.000 1.042 302 T CB 1.582 70.577 68.868 0.212 0.000 0.973 302 T HN -0.050 nan 8.240 nan 0.000 0.465 303 P HA -0.144 nan 4.420 nan 0.000 0.215 303 P C 1.673 179.022 177.300 0.082 0.000 1.163 303 P CA 0.730 63.878 63.100 0.081 0.000 0.894 303 P CB -0.065 31.678 31.700 0.071 0.000 0.791 304 V N -0.289 119.674 119.914 0.083 0.000 2.255 304 V HA -0.101 4.018 4.120 -0.000 0.000 0.243 304 V C 2.663 178.816 176.094 0.098 0.000 1.038 304 V CA 2.434 64.779 62.300 0.076 0.000 1.008 304 V CB -1.994 29.863 31.823 0.057 0.000 0.645 304 V HN 0.159 nan 8.190 nan 0.000 0.449 305 G N 0.039 108.913 108.800 0.124 0.000 2.513 305 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.219 305 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.219 305 G C 1.188 176.202 174.900 0.190 0.000 1.160 305 G CA 1.422 46.624 45.100 0.170 0.000 0.767 305 G HN 0.509 nan 8.290 nan 0.000 0.571 306 D N 0.068 120.564 120.400 0.160 0.000 2.106 306 D HA -0.146 4.494 4.640 -0.000 0.000 0.191 306 D C 2.912 179.376 176.300 0.273 0.000 0.997 306 D CA 1.983 56.100 54.000 0.195 0.000 0.834 306 D CB -0.683 40.188 40.800 0.118 0.000 0.956 306 D HN 0.375 nan 8.370 nan 0.000 0.448 307 V N -1.294 118.735 119.914 0.192 0.000 2.719 307 V HA -0.042 4.078 4.120 -0.000 0.000 0.252 307 V C 2.144 178.305 176.094 0.112 0.000 1.065 307 V CA 1.009 63.396 62.300 0.145 0.000 1.086 307 V CB -0.458 31.422 31.823 0.096 0.000 0.700 307 V HN -0.104 nan 8.190 nan 0.000 0.467 308 K N 1.522 121.987 120.400 0.109 0.000 2.044 308 K HA -0.223 4.097 4.320 -0.000 0.000 0.210 308 K C 2.243 178.889 176.600 0.077 0.000 1.049 308 K CA 2.331 58.661 56.287 0.072 0.000 0.927 308 K CB -0.620 31.917 32.500 0.061 0.000 0.713 308 K HN 0.759 nan 8.250 nan 0.000 0.443 309 E N -0.208 120.082 120.200 0.149 0.000 2.072 309 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 309 E C 1.905 178.601 176.600 0.160 0.000 0.985 309 E CA 0.982 57.500 56.400 0.196 0.000 0.801 309 E CB -0.101 29.818 29.700 0.365 0.000 0.750 309 E HN 0.290 nan 8.360 nan 0.000 0.452 310 L N 0.359 121.667 121.223 0.141 0.000 2.275 310 L HA -0.110 4.230 4.340 -0.000 0.000 0.215 310 L C 2.507 179.409 176.870 0.053 0.000 1.119 310 L CA 0.738 55.619 54.840 0.068 0.000 0.790 310 L CB -0.317 41.745 42.059 0.006 0.000 0.919 310 L HN 0.246 nan 8.230 nan 0.000 0.443 311 A N -0.042 122.811 122.820 0.054 0.000 1.874 311 A HA -0.038 4.281 4.320 -0.000 0.000 0.214 311 A C 2.537 180.142 177.584 0.036 0.000 1.189 311 A CA 1.299 53.357 52.037 0.034 0.000 0.615 311 A CB -0.540 18.474 19.000 0.023 0.000 0.830 311 A HN 0.342 nan 8.150 nan 0.000 0.443 312 A N -0.065 122.777 122.820 0.036 0.000 1.933 312 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 312 A C 2.091 179.722 177.584 0.079 0.000 1.175 312 A CA 1.455 53.506 52.037 0.024 0.000 0.628 312 A CB -0.568 18.421 19.000 -0.018 0.000 0.814 312 A HN 0.493 nan 8.150 nan 0.000 0.444 313 I N -1.265 119.389 120.570 0.141 0.000 2.252 313 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 313 I C 2.788 179.063 176.117 0.263 0.000 1.102 313 I CA 1.137 62.595 61.300 0.262 0.000 1.385 313 I CB -0.343 37.780 38.000 0.204 0.000 1.064 313 I HN 0.302 nan 8.210 nan 0.000 0.414 314 R N 0.492 121.073 120.500 0.134 0.000 2.080 314 R HA -0.189 4.151 4.340 -0.000 0.000 0.236 314 R C 2.341 178.690 176.300 0.081 0.000 1.137 314 R CA 1.424 57.584 56.100 0.100 0.000 0.943 314 R CB -0.254 30.076 30.300 0.048 0.000 0.846 314 R HN 0.315 nan 8.270 nan 0.000 0.431 315 E N 0.201 120.427 120.200 0.044 0.000 2.049 315 E HA -0.204 4.146 4.350 -0.000 0.000 0.198 315 E C 2.084 178.660 176.600 -0.040 0.000 1.007 315 E CA 1.564 57.965 56.400 0.001 0.000 0.809 315 E CB -0.201 29.492 29.700 -0.012 0.000 0.749 315 E HN 0.119 nan 8.360 nan 0.000 0.450 316 V N 0.250 120.120 119.914 -0.074 0.000 2.295 316 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 316 V C 2.040 177.869 176.094 -0.443 0.000 1.049 316 V CA 1.815 63.942 62.300 -0.289 0.000 1.024 316 V CB -0.482 31.089 31.823 -0.420 0.000 0.648 316 V HN 0.176 nan 8.190 nan 0.000 0.447 317 F N -0.192 119.756 119.950 -0.004 0.000 2.776 317 F HA 0.427 4.954 4.527 -0.000 0.000 0.300 317 F C 1.847 177.642 175.800 -0.009 0.000 1.116 317 F CA 0.602 58.598 58.000 -0.007 0.000 1.375 317 F CB -0.575 38.419 39.000 -0.010 0.000 1.109 317 F HN 0.274 nan 8.300 nan 0.000 0.585 318 G N 0.778 109.638 108.800 0.100 0.000 2.634 318 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.318 318 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.318 318 G C 0.629 175.574 174.900 0.075 0.000 1.207 318 G CA 0.840 45.977 45.100 0.062 0.000 0.987 318 G HN 0.280 nan 8.290 nan 0.000 0.547 319 D N 1.248 121.684 120.400 0.061 0.000 2.424 319 D HA 0.216 4.856 4.640 -0.000 0.000 0.220 319 D C 0.839 177.171 176.300 0.052 0.000 1.150 319 D CA 0.338 54.365 54.000 0.047 0.000 0.831 319 D CB 0.384 41.201 40.800 0.028 0.000 0.981 319 D HN 0.392 nan 8.370 nan 0.000 0.500 320 K N 1.540 121.993 120.400 0.089 0.000 3.146 320 K HA 0.104 4.424 4.320 -0.000 0.000 0.168 320 K C -0.587 176.072 176.600 0.099 0.000 1.075 320 K CA -0.296 56.040 56.287 0.081 0.000 0.843 320 K CB 0.339 32.895 32.500 0.093 0.000 1.002 320 K HN -0.085 nan 8.250 nan 0.000 0.597 321 S N 1.441 117.153 115.700 0.021 0.000 2.584 321 S HA 0.531 5.000 4.470 -0.000 0.000 0.273 321 S C -1.918 172.535 174.600 -0.244 0.000 1.311 321 S CA -0.915 57.204 58.200 -0.136 0.000 1.034 321 S CB 0.883 64.031 63.200 -0.087 0.000 0.939 321 S HN 0.361 nan 8.310 nan 0.000 0.513 322 P HA 0.429 nan 4.420 nan 0.000 0.278 322 P C -0.790 176.380 177.300 -0.215 0.000 1.266 322 P CA -0.714 62.188 63.100 -0.329 0.000 0.807 322 P CB 0.518 31.930 31.700 -0.480 0.000 1.094 323 A N 1.158 123.915 122.820 -0.105 0.000 2.450 323 A HA 0.452 4.772 4.320 -0.000 0.000 0.255 323 A C 0.306 177.853 177.584 -0.062 0.000 1.096 323 A CA -0.157 51.869 52.037 -0.019 0.000 0.778 323 A CB -0.762 18.293 19.000 0.092 0.000 1.031 323 A HN 0.447 nan 8.150 nan 0.000 0.494 324 I N 1.540 122.074 120.570 -0.060 0.000 2.740 324 I HA 0.638 4.808 4.170 -0.000 0.000 0.303 324 I C 0.166 176.323 176.117 0.066 0.000 1.044 324 I CA -0.383 60.851 61.300 -0.111 0.000 1.064 324 I CB 2.438 40.351 38.000 -0.145 0.000 1.249 324 I HN 0.763 nan 8.210 nan 0.000 0.433 325 S N 3.220 118.984 115.700 0.106 0.000 2.560 325 S HA 0.716 5.186 4.470 -0.000 0.000 0.283 325 S C -1.239 173.470 174.600 0.182 0.000 1.141 325 S CA -0.732 57.601 58.200 0.222 0.000 0.902 325 S CB 1.639 65.021 63.200 0.303 0.000 1.104 325 S HN 0.838 nan 8.310 nan 0.000 0.454 326 A N 2.942 125.857 122.820 0.159 0.000 2.444 326 A HA 0.589 4.908 4.320 -0.000 0.000 0.332 326 A C 1.199 178.783 177.584 -0.001 0.000 1.430 326 A CA -0.148 51.904 52.037 0.025 0.000 0.975 326 A CB -0.277 18.629 19.000 -0.156 0.000 1.147 326 A HN 1.506 nan 8.150 nan 0.000 0.524 327 T N -0.377 114.194 114.554 0.027 0.000 3.155 327 T HA -0.043 4.307 4.350 -0.000 0.000 0.264 327 T C 1.251 175.925 174.700 -0.042 0.000 1.160 327 T CA 1.107 63.200 62.100 -0.011 0.000 1.075 327 T CB -0.278 68.587 68.868 -0.004 0.000 0.921 327 T HN 0.605 nan 8.240 nan 0.000 0.533 328 K N 0.658 121.020 120.400 -0.063 0.000 2.366 328 K HA 0.289 4.609 4.320 -0.000 0.000 0.198 328 K C 2.459 179.020 176.600 -0.065 0.000 1.044 328 K CA 0.627 56.866 56.287 -0.081 0.000 0.973 328 K CB -0.210 32.186 32.500 -0.172 0.000 0.767 328 K HN 0.461 nan 8.250 nan 0.000 0.475 329 A N 0.517 123.293 122.820 -0.074 0.000 2.121 329 A HA -0.087 4.232 4.320 -0.000 0.000 0.218 329 A C 1.882 179.440 177.584 -0.042 0.000 1.154 329 A CA 1.166 53.165 52.037 -0.062 0.000 0.679 329 A CB -0.173 18.788 19.000 -0.064 0.000 0.795 329 A HN 0.191 nan 8.150 nan 0.000 0.458 330 M N -1.553 118.018 119.600 -0.048 0.000 2.556 330 M HA -0.028 4.451 4.480 -0.000 0.000 0.259 330 M C 2.426 178.701 176.300 -0.041 0.000 1.175 330 M CA 1.661 56.929 55.300 -0.052 0.000 1.202 330 M CB 0.004 32.550 32.600 -0.090 0.000 1.298 330 M HN 0.560 nan 8.290 nan 0.000 0.492 331 T N -1.946 112.581 114.554 -0.045 0.000 3.035 331 T HA 0.383 4.732 4.350 -0.000 0.000 0.259 331 T C 1.039 175.752 174.700 0.023 0.000 1.078 331 T CA 0.636 62.730 62.100 -0.010 0.000 1.132 331 T CB -0.110 68.773 68.868 0.026 0.000 0.900 331 T HN 0.574 nan 8.240 nan 0.000 0.480 332 G N 0.919 109.735 108.800 0.027 0.000 2.710 332 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.668 332 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.668 332 G C -0.922 174.016 174.900 0.062 0.000 1.320 332 G CA -0.310 44.833 45.100 0.072 0.000 0.860 332 G HN 0.807 nan 8.290 nan 0.000 0.538 333 H N 0.842 119.875 119.070 -0.061 0.000 2.724 333 H HA 0.587 5.143 4.556 -0.000 0.000 0.278 333 H C 1.655 176.856 175.328 -0.212 0.000 1.159 333 H CA -0.032 55.862 56.048 -0.256 0.000 1.254 333 H CB 0.454 29.790 29.762 -0.711 0.000 1.412 333 H HN 0.824 nan 8.280 nan 0.000 0.488 334 S N 4.686 120.454 115.700 0.115 0.000 2.754 334 S HA 0.082 4.552 4.470 -0.000 0.000 0.223 334 S C 1.401 175.968 174.600 -0.055 0.000 0.951 334 S CA 0.083 58.278 58.200 -0.009 0.000 0.954 334 S CB -0.639 62.553 63.200 -0.014 0.000 0.780 334 S HN 0.713 nan 8.310 nan 0.000 0.509 335 L N 0.027 121.166 121.223 -0.141 0.000 4.638 335 L HA -0.364 3.975 4.340 -0.000 0.000 0.053 335 L C 2.311 179.178 176.870 -0.004 0.000 3.458 335 L CA 1.533 56.227 54.840 -0.242 0.000 1.370 335 L CB -2.101 39.739 42.059 -0.366 0.000 3.074 335 L HN 0.425 nan 8.230 nan 0.000 0.881 336 G N -1.081 107.707 108.800 -0.021 0.000 2.462 336 G HA2 0.013 3.973 3.960 -0.000 0.000 0.220 336 G HA3 0.013 3.973 3.960 -0.000 0.000 0.220 336 G C 1.252 176.160 174.900 0.014 0.000 1.121 336 G CA 1.323 46.435 45.100 0.019 0.000 0.758 336 G HN 0.863 nan 8.290 nan 0.000 0.559 337 A N 0.193 123.014 122.820 0.001 0.000 2.238 337 A HA 0.669 4.989 4.320 -0.000 0.000 0.210 337 A C 2.510 180.062 177.584 -0.053 0.000 1.179 337 A CA 1.224 53.249 52.037 -0.020 0.000 0.827 337 A CB -0.156 18.835 19.000 -0.015 0.000 0.856 337 A HN 0.524 nan 8.150 nan 0.000 0.488 338 A N 0.085 122.890 122.820 -0.025 0.000 1.933 338 A HA 0.102 4.422 4.320 -0.000 0.000 0.218 338 A C 2.289 179.803 177.584 -0.117 0.000 1.175 338 A CA 1.872 53.875 52.037 -0.057 0.000 0.628 338 A CB -1.162 17.831 19.000 -0.011 0.000 0.814 338 A HN 0.640 nan 8.150 nan 0.000 0.444 339 G N -0.914 107.831 108.800 -0.092 0.000 2.433 339 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.216 339 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.216 339 G C 1.644 176.451 174.900 -0.156 0.000 1.186 339 G CA 1.279 46.307 45.100 -0.120 0.000 0.779 339 G HN 0.577 nan 8.290 nan 0.000 0.543 340 V N 0.019 119.844 119.914 -0.148 0.000 2.488 340 V HA -0.073 4.047 4.120 -0.000 0.000 0.246 340 V C 2.690 178.625 176.094 -0.264 0.000 1.046 340 V CA 2.305 64.501 62.300 -0.173 0.000 1.053 340 V CB -0.184 31.561 31.823 -0.129 0.000 0.679 340 V HN 0.482 nan 8.190 nan 0.000 0.458 341 Q N -0.381 119.231 119.800 -0.315 0.000 2.084 341 Q HA -0.253 4.087 4.340 -0.000 0.000 0.202 341 Q C 2.180 177.575 176.000 -1.009 0.000 0.978 341 Q CA 2.202 57.671 55.803 -0.557 0.000 0.844 341 Q CB -0.111 28.372 28.738 -0.426 0.000 0.898 341 Q HN 0.706 nan 8.270 nan 0.000 0.426 342 E N 0.002 119.815 120.200 -0.645 0.000 2.208 342 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 342 E C 1.769 178.207 176.600 -0.270 0.000 0.988 342 E CA 0.659 56.784 56.400 -0.458 0.000 0.828 342 E CB 0.042 29.642 29.700 -0.167 0.000 0.763 342 E HN 0.329 nan 8.360 nan 0.000 0.478 343 A N 0.807 123.472 122.820 -0.257 0.000 1.929 343 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 343 A C 2.089 179.566 177.584 -0.177 0.000 1.176 343 A CA 0.780 52.717 52.037 -0.167 0.000 0.628 343 A CB -0.360 18.544 19.000 -0.160 0.000 0.816 343 A HN 0.146 nan 8.150 nan 0.000 0.444 344 I N -1.299 119.108 120.570 -0.272 0.000 2.252 344 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 344 I C 2.264 178.335 176.117 -0.078 0.000 1.102 344 I CA 1.186 62.348 61.300 -0.229 0.000 1.385 344 I CB -0.393 37.449 38.000 -0.263 0.000 1.064 344 I HN 0.371 nan 8.210 nan 0.000 0.414 345 Y N 0.650 120.921 120.300 -0.049 0.000 2.181 345 Y HA -0.180 4.369 4.550 -0.000 0.000 0.288 345 Y C 2.952 178.820 175.900 -0.054 0.000 1.146 345 Y CA 0.686 58.768 58.100 -0.030 0.000 1.164 345 Y CB -1.378 37.073 38.460 -0.016 0.000 0.982 345 Y HN 0.085 nan 8.280 nan 0.000 0.515 346 S N -0.102 115.665 115.700 0.113 0.000 2.368 346 S HA -0.137 4.333 4.470 -0.000 0.000 0.225 346 S C 2.039 176.643 174.600 0.007 0.000 1.030 346 S CA 1.045 59.294 58.200 0.080 0.000 0.999 346 S CB -0.498 62.755 63.200 0.089 0.000 0.844 346 S HN 0.180 nan 8.310 nan 0.000 0.459 347 L N 1.402 122.613 121.223 -0.020 0.000 2.083 347 L HA 0.055 4.395 4.340 -0.000 0.000 0.209 347 L C 2.027 178.915 176.870 0.030 0.000 1.083 347 L CA 1.407 56.225 54.840 -0.036 0.000 0.752 347 L CB -1.123 40.832 42.059 -0.174 0.000 0.899 347 L HN 0.321 nan 8.230 nan 0.000 0.433 348 L N -1.944 119.321 121.223 0.071 0.000 2.109 348 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 348 L C 2.410 179.416 176.870 0.227 0.000 1.086 348 L CA 0.958 55.949 54.840 0.252 0.000 0.760 348 L CB -0.301 41.929 42.059 0.285 0.000 0.910 348 L HN 0.262 nan 8.230 nan 0.000 0.437 349 M N -0.991 118.537 119.600 -0.120 0.000 2.319 349 M HA -0.177 4.302 4.480 -0.000 0.000 0.265 349 M C 2.216 178.373 176.300 -0.238 0.000 1.068 349 M CA 1.369 56.331 55.300 -0.563 0.000 1.118 349 M CB -0.032 32.035 32.600 -0.887 0.000 1.395 349 M HN 0.259 nan 8.290 nan 0.000 0.435 350 L N -0.105 121.063 121.223 -0.093 0.000 2.044 350 L HA -0.179 4.161 4.340 -0.000 0.000 0.205 350 L C 2.345 179.214 176.870 -0.002 0.000 1.075 350 L CA 1.557 56.377 54.840 -0.032 0.000 0.747 350 L CB -0.223 41.840 42.059 0.006 0.000 0.903 350 L HN 0.247 nan 8.230 nan 0.000 0.435 351 E N -0.604 119.607 120.200 0.018 0.000 2.106 351 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 351 E C 1.703 178.145 176.600 -0.265 0.000 0.984 351 E CA 1.354 57.698 56.400 -0.094 0.000 0.806 351 E CB 0.085 29.746 29.700 -0.064 0.000 0.750 351 E HN 0.496 nan 8.360 nan 0.000 0.458 352 H N -1.334 117.845 119.070 0.182 0.000 2.549 352 H HA 0.290 4.846 4.556 -0.000 0.000 0.279 352 H C 0.432 175.907 175.328 0.245 0.000 1.018 352 H CA 0.438 56.617 56.048 0.219 0.000 1.175 352 H CB 0.515 30.447 29.762 0.283 0.000 1.485 352 H HN 0.242 nan 8.280 nan 0.000 0.543 353 G N 2.163 111.089 108.800 0.210 0.000 2.354 353 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.278 353 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.278 353 G C -0.287 174.759 174.900 0.243 0.000 0.953 353 G CA 0.809 45.996 45.100 0.145 0.000 1.346 353 G HN 0.540 nan 8.290 nan 0.000 0.467 354 F N -1.369 118.560 119.950 -0.036 0.000 2.744 354 F HA 0.753 5.279 4.527 -0.000 0.000 0.311 354 F C -1.078 174.623 175.800 -0.165 0.000 1.144 354 F CA -2.125 55.833 58.000 -0.070 0.000 0.938 354 F CB 0.997 39.970 39.000 -0.045 0.000 1.292 354 F HN 0.113 nan 8.300 nan 0.000 0.444 355 I N 2.919 123.353 120.570 -0.227 0.000 2.382 355 I HA 0.630 4.800 4.170 -0.000 0.000 0.286 355 I C 0.247 176.262 176.117 -0.169 0.000 1.002 355 I CA -1.004 60.012 61.300 -0.473 0.000 1.135 355 I CB 1.615 39.460 38.000 -0.259 0.000 1.288 355 I HN 0.970 nan 8.210 nan 0.000 0.448 356 A N 9.220 131.864 122.820 -0.294 0.000 2.483 356 A HA 0.448 4.768 4.320 -0.000 0.000 0.238 356 A C -2.335 175.273 177.584 0.040 0.000 1.070 356 A CA -0.857 51.205 52.037 0.040 0.000 0.770 356 A CB -0.413 18.583 19.000 -0.006 0.000 1.008 356 A HN 0.422 nan 8.150 nan 0.000 0.497 357 P HA 0.178 nan 4.420 nan 0.000 0.276 357 P C -0.417 176.921 177.300 0.062 0.000 1.244 357 P CA -0.335 62.802 63.100 0.061 0.000 0.801 357 P CB 1.177 32.904 31.700 0.045 0.000 1.006 358 S N 1.831 117.579 115.700 0.080 0.000 2.466 358 S HA 0.399 4.869 4.470 -0.000 0.000 0.313 358 S C 0.538 175.175 174.600 0.061 0.000 1.078 358 S CA -0.786 57.469 58.200 0.091 0.000 1.115 358 S CB -1.324 61.975 63.200 0.165 0.000 1.006 358 S HN 0.338 nan 8.310 nan 0.000 0.487 359 I N 1.737 122.323 120.570 0.027 0.000 2.970 359 I HA 0.499 4.668 4.170 -0.000 0.000 0.310 359 I C 0.321 176.439 176.117 0.001 0.000 1.010 359 I CA -0.525 60.782 61.300 0.012 0.000 1.228 359 I CB 0.395 38.392 38.000 -0.004 0.000 1.433 359 I HN 0.494 nan 8.210 nan 0.000 0.573 360 N N 1.466 120.164 118.700 -0.004 0.000 2.782 360 N HA -0.170 4.570 4.740 -0.000 0.000 0.251 360 N C -0.440 175.069 175.510 -0.002 0.000 1.101 360 N CA 0.985 54.023 53.050 -0.021 0.000 0.764 360 N CB -1.479 36.970 38.487 -0.063 0.000 1.122 360 N HN 0.637 nan 8.380 nan 0.000 0.561 361 I N 1.357 121.945 120.570 0.030 0.000 2.206 361 I HA 0.035 4.204 4.170 -0.000 0.000 0.292 361 I C 1.374 177.524 176.117 0.055 0.000 1.156 361 I CA -0.085 61.249 61.300 0.056 0.000 1.356 361 I CB 0.043 38.094 38.000 0.086 0.000 1.494 361 I HN 0.036 nan 8.210 nan 0.000 0.601 362 E N 2.404 122.639 120.200 0.059 0.000 2.274 362 E HA -0.157 4.192 4.350 -0.000 0.000 0.194 362 E C 1.327 177.978 176.600 0.084 0.000 0.996 362 E CA 0.874 57.314 56.400 0.067 0.000 0.840 362 E CB 0.504 30.247 29.700 0.071 0.000 0.772 362 E HN 0.668 nan 8.360 nan 0.000 0.491 363 E N -0.331 119.928 120.200 0.097 0.000 2.756 363 E HA 0.191 4.541 4.350 -0.000 0.000 0.192 363 E C -0.271 176.362 176.600 0.055 0.000 1.022 363 E CA -0.078 56.374 56.400 0.086 0.000 1.224 363 E CB 1.155 30.924 29.700 0.114 0.000 1.252 363 E HN -0.080 nan 8.360 nan 0.000 0.494 364 L N 2.832 124.086 121.223 0.051 0.000 1.391 364 L HA -0.107 4.233 4.340 -0.000 0.000 0.578 364 L C -1.284 175.601 176.870 0.025 0.000 0.998 364 L CA -0.230 54.638 54.840 0.046 0.000 1.230 364 L CB -0.272 41.806 42.059 0.033 0.000 2.087 364 L HN 0.357 nan 8.230 nan 0.000 1.081 365 D N 2.951 123.372 120.400 0.035 0.000 2.525 365 D HA 0.030 4.669 4.640 -0.000 0.000 0.235 365 D C 1.539 177.844 176.300 0.008 0.000 1.137 365 D CA 0.942 54.952 54.000 0.018 0.000 0.868 365 D CB 0.818 41.650 40.800 0.052 0.000 1.180 365 D HN 0.626 nan 8.370 nan 0.000 0.465 366 E N 1.935 122.136 120.200 0.001 0.000 2.160 366 E HA -0.252 4.097 4.350 -0.000 0.000 0.195 366 E C 0.310 176.910 176.600 -0.001 0.000 0.991 366 E CA 0.810 57.211 56.400 0.001 0.000 0.810 366 E CB -0.019 29.682 29.700 0.002 0.000 0.742 366 E HN 0.511 nan 8.360 nan 0.000 0.466 367 Q N 0.122 119.925 119.800 0.005 0.000 2.394 367 Q HA 0.330 4.670 4.340 -0.000 0.000 0.248 367 Q C -0.469 175.522 176.000 -0.015 0.000 0.992 367 Q CA 0.468 56.273 55.803 0.004 0.000 0.888 367 Q CB 0.977 29.727 28.738 0.021 0.000 1.257 367 Q HN 0.406 nan 8.270 nan 0.000 0.462 368 A N 1.481 124.281 122.820 -0.032 0.000 2.429 368 A HA -0.132 4.187 4.320 -0.000 0.000 0.290 368 A C 0.456 177.997 177.584 -0.071 0.000 1.439 368 A CA 0.733 52.722 52.037 -0.080 0.000 0.731 368 A CB -1.841 17.067 19.000 -0.154 0.000 1.138 368 A HN 0.838 nan 8.150 nan 0.000 0.384 369 A N 0.176 122.970 122.820 -0.044 0.000 2.070 369 A HA 0.565 4.885 4.320 -0.000 0.000 0.202 369 A C 1.871 179.436 177.584 -0.032 0.000 1.277 369 A CA 1.288 53.305 52.037 -0.032 0.000 0.872 369 A CB -0.088 18.902 19.000 -0.016 0.000 0.933 369 A HN 2.105 nan 8.150 nan 0.000 0.475 370 G N 1.015 109.796 108.800 -0.031 0.000 3.562 370 G HA2 0.443 4.403 3.960 -0.000 0.000 0.279 370 G HA3 0.443 4.403 3.960 -0.000 0.000 0.279 370 G C 0.250 175.126 174.900 -0.039 0.000 1.314 370 G CA -0.122 44.962 45.100 -0.026 0.000 1.189 370 G HN 0.373 nan 8.290 nan 0.000 0.562 371 L N -2.377 118.811 121.223 -0.059 0.000 2.454 371 L HA 0.493 4.832 4.340 -0.000 0.000 0.256 371 L C 0.223 177.052 176.870 -0.069 0.000 1.136 371 L CA -1.381 53.408 54.840 -0.084 0.000 0.804 371 L CB 0.598 42.574 42.059 -0.139 0.000 1.181 371 L HN 0.064 nan 8.230 nan 0.000 0.469 372 N N 1.447 120.100 118.700 -0.079 0.000 2.757 372 N HA 0.197 4.936 4.740 -0.000 0.000 0.296 372 N C -0.953 174.528 175.510 -0.049 0.000 1.874 372 N CA -0.461 52.558 53.050 -0.052 0.000 0.885 372 N CB 0.522 38.982 38.487 -0.044 0.000 1.242 372 N HN 0.713 nan 8.380 nan 0.000 0.488 373 I N 0.574 121.110 120.570 -0.057 0.000 2.322 373 I HA 0.280 4.450 4.170 -0.000 0.000 0.292 373 I C -0.131 176.005 176.117 0.030 0.000 1.060 373 I CA -0.436 60.849 61.300 -0.025 0.000 1.309 373 I CB 0.329 38.289 38.000 -0.067 0.000 1.415 373 I HN -0.171 nan 8.210 nan 0.000 0.492 374 V N 7.246 127.198 119.914 0.064 0.000 2.425 374 V HA 0.050 4.169 4.120 -0.000 0.000 0.276 374 V C 1.727 177.863 176.094 0.069 0.000 1.017 374 V CA 0.648 62.987 62.300 0.065 0.000 1.062 374 V CB 0.164 32.034 31.823 0.078 0.000 0.997 374 V HN 0.928 nan 8.190 nan 0.000 0.476 375 T N 0.850 115.435 114.554 0.052 0.000 3.145 375 T HA 0.379 4.729 4.350 -0.000 0.000 0.255 375 T C 0.151 174.875 174.700 0.039 0.000 1.039 375 T CA -0.291 61.839 62.100 0.050 0.000 0.928 375 T CB -0.010 68.885 68.868 0.045 0.000 1.029 375 T HN 0.624 nan 8.240 nan 0.000 0.554 376 E N 0.855 121.079 120.200 0.039 0.000 2.304 376 E HA 0.381 4.731 4.350 -0.000 0.000 0.277 376 E C -1.024 175.602 176.600 0.044 0.000 0.898 376 E CA -0.499 55.921 56.400 0.032 0.000 0.764 376 E CB 1.672 31.386 29.700 0.024 0.000 1.216 376 E HN 0.018 nan 8.360 nan 0.000 0.419 377 T N 2.259 116.840 114.554 0.045 0.000 2.765 377 T HA 0.030 4.380 4.350 -0.000 0.000 0.275 377 T C -0.125 174.619 174.700 0.074 0.000 1.007 377 T CA 0.904 63.052 62.100 0.079 0.000 1.175 377 T CB -0.003 68.879 68.868 0.024 0.000 0.993 377 T HN 0.297 nan 8.240 nan 0.000 0.510 378 T N 4.043 118.663 114.554 0.109 0.000 2.841 378 T HA 0.244 4.594 4.350 -0.000 0.000 0.285 378 T C -0.756 174.013 174.700 0.114 0.000 0.991 378 T CA -1.034 61.114 62.100 0.079 0.000 0.966 378 T CB 0.733 69.630 68.868 0.048 0.000 0.962 378 T HN 0.393 nan 8.240 nan 0.000 0.438 379 D N 3.660 124.115 120.400 0.090 0.000 2.383 379 D HA 0.343 4.982 4.640 -0.000 0.000 0.252 379 D C 0.222 176.565 176.300 0.072 0.000 1.166 379 D CA 0.438 54.500 54.000 0.103 0.000 0.879 379 D CB 0.585 41.421 40.800 0.061 0.000 1.164 379 D HN 0.506 nan 8.370 nan 0.000 0.462 380 R N 1.940 122.485 120.500 0.075 0.000 2.633 380 R HA 0.085 4.424 4.340 -0.000 0.000 0.255 380 R C -1.131 175.185 176.300 0.026 0.000 1.106 380 R CA -0.595 55.527 56.100 0.037 0.000 0.959 380 R CB 1.233 31.543 30.300 0.017 0.000 1.259 380 R HN 0.287 nan 8.270 nan 0.000 0.453 381 E N 5.053 125.267 120.200 0.023 0.000 2.220 381 E HA 0.131 4.481 4.350 -0.000 0.000 0.272 381 E C -0.681 175.924 176.600 0.008 0.000 1.099 381 E CA 0.062 56.473 56.400 0.018 0.000 0.907 381 E CB 0.528 30.239 29.700 0.017 0.000 1.022 381 E HN 0.338 nan 8.360 nan 0.000 0.428 382 L N 3.090 124.313 121.223 0.000 0.000 2.334 382 L HA 0.372 4.711 4.340 -0.000 0.000 0.272 382 L C 0.916 177.791 176.870 0.008 0.000 1.020 382 L CA -0.542 54.299 54.840 0.001 0.000 0.812 382 L CB 1.902 43.948 42.059 -0.021 0.000 1.264 382 L HN 0.524 nan 8.230 nan 0.000 0.439 383 T N -1.732 112.832 114.554 0.017 0.000 3.115 383 T HA 0.099 4.449 4.350 -0.000 0.000 0.256 383 T C 0.219 174.933 174.700 0.024 0.000 0.970 383 T CA 0.242 62.352 62.100 0.017 0.000 1.010 383 T CB 0.740 69.617 68.868 0.016 0.000 1.151 383 T HN 0.596 nan 8.240 nan 0.000 0.479 384 T N 3.013 117.587 114.554 0.033 0.000 2.879 384 T HA 0.691 5.041 4.350 -0.000 0.000 0.290 384 T C -0.705 174.028 174.700 0.054 0.000 0.993 384 T CA -0.730 61.395 62.100 0.041 0.000 0.975 384 T CB 2.098 70.992 68.868 0.043 0.000 0.981 384 T HN 0.237 nan 8.240 nan 0.000 0.439 385 V N 0.911 120.860 119.914 0.059 0.000 2.914 385 V HA 0.867 4.987 4.120 -0.000 0.000 0.314 385 V C -0.624 175.493 176.094 0.038 0.000 1.084 385 V CA -1.260 61.085 62.300 0.076 0.000 0.963 385 V CB 2.159 34.067 31.823 0.142 0.000 1.025 385 V HN 0.993 nan 8.190 nan 0.000 0.432 386 M N 2.793 122.386 119.600 -0.012 0.000 2.464 386 M HA 0.730 5.210 4.480 -0.000 0.000 0.308 386 M C -1.060 175.197 176.300 -0.071 0.000 1.127 386 M CA -0.261 55.030 55.300 -0.015 0.000 0.913 386 M CB 2.208 34.824 32.600 0.026 0.000 1.689 386 M HN 0.942 nan 8.290 nan 0.000 0.445 387 S N 3.291 118.960 115.700 -0.052 0.000 2.605 387 S HA 0.570 5.040 4.470 -0.000 0.000 0.308 387 S C -1.303 173.216 174.600 -0.134 0.000 1.113 387 S CA -0.763 57.381 58.200 -0.093 0.000 1.049 387 S CB 0.889 64.043 63.200 -0.077 0.000 1.001 387 S HN 0.837 nan 8.310 nan 0.000 0.480 388 N N 2.313 120.883 118.700 -0.215 0.000 2.430 388 N HA 0.482 5.222 4.740 -0.000 0.000 0.292 388 N C -1.297 173.846 175.510 -0.612 0.000 1.051 388 N CA -0.308 52.459 53.050 -0.471 0.000 0.917 388 N CB 1.806 39.948 38.487 -0.576 0.000 1.164 388 N HN 0.452 nan 8.380 nan 0.000 0.484 389 S N 1.957 117.184 115.700 -0.789 0.000 2.789 389 S HA 0.462 4.932 4.470 -0.000 0.000 0.286 389 S C -1.262 172.996 174.600 -0.571 0.000 1.153 389 S CA -0.579 57.301 58.200 -0.533 0.000 1.084 389 S CB 0.082 63.124 63.200 -0.263 0.000 1.036 389 S HN 0.277 nan 8.310 nan 0.000 0.484 390 F N 1.856 121.471 119.950 -0.557 0.000 2.366 390 F HA 0.613 5.139 4.527 -0.000 0.000 0.366 390 F C 0.876 176.474 175.800 -0.336 0.000 1.096 390 F CA -1.134 56.593 58.000 -0.454 0.000 1.060 390 F CB 0.896 39.620 39.000 -0.460 0.000 1.282 390 F HN 0.575 nan 8.300 nan 0.000 0.450 391 G N 1.184 110.082 108.800 0.164 0.000 2.522 391 G HA2 0.484 4.444 3.960 -0.000 0.000 0.304 391 G HA3 0.484 4.444 3.960 -0.000 0.000 0.304 391 G C -0.680 174.483 174.900 0.438 0.000 1.210 391 G CA -0.525 44.774 45.100 0.331 0.000 0.960 391 G HN 0.169 nan 8.290 nan 0.000 0.497 392 F N -0.029 120.037 119.950 0.192 0.000 2.589 392 F HA 0.373 4.900 4.527 -0.000 0.000 0.352 392 F C 1.684 177.557 175.800 0.123 0.000 1.168 392 F CA 0.926 59.027 58.000 0.169 0.000 1.353 392 F CB 0.727 39.841 39.000 0.190 0.000 1.116 392 F HN 0.876 nan 8.300 nan 0.000 0.608 393 G N 0.535 109.476 108.800 0.234 0.000 2.176 393 G HA2 0.032 3.992 3.960 -0.000 0.000 0.253 393 G HA3 0.032 3.992 3.960 -0.000 0.000 0.253 393 G C 0.858 175.820 174.900 0.104 0.000 0.979 393 G CA 0.293 45.483 45.100 0.149 0.000 0.641 393 G HN 1.926 nan 8.290 nan 0.000 0.530 394 G N -1.028 107.832 108.800 0.100 0.000 2.272 394 G HA2 0.127 4.086 3.960 -0.000 0.000 0.280 394 G HA3 0.127 4.086 3.960 -0.000 0.000 0.280 394 G C 0.310 175.261 174.900 0.085 0.000 1.067 394 G CA 1.381 46.518 45.100 0.062 0.000 0.902 394 G HN 2.095 nan 8.290 nan 0.000 0.500 395 T N 0.374 115.018 114.554 0.148 0.000 2.772 395 T HA 0.568 4.918 4.350 -0.000 0.000 0.288 395 T C 0.118 174.983 174.700 0.275 0.000 0.994 395 T CA -0.596 61.624 62.100 0.200 0.000 0.951 395 T CB 0.239 69.244 68.868 0.229 0.000 0.933 395 T HN 0.363 nan 8.240 nan 0.000 0.447 396 N N 3.220 122.084 118.700 0.274 0.000 2.370 396 N HA 0.750 5.490 4.740 -0.000 0.000 0.303 396 N C -1.110 174.566 175.510 0.276 0.000 1.103 396 N CA -0.764 52.496 53.050 0.350 0.000 0.848 396 N CB 2.143 40.797 38.487 0.279 0.000 1.235 396 N HN 0.743 nan 8.380 nan 0.000 0.496 397 A N 0.264 123.163 122.820 0.131 0.000 2.520 397 A HA 0.694 5.014 4.320 -0.000 0.000 0.298 397 A C -0.630 176.949 177.584 -0.008 0.000 1.051 397 A CA -0.650 51.376 52.037 -0.018 0.000 0.690 397 A CB 1.599 20.325 19.000 -0.456 0.000 1.281 397 A HN 0.650 nan 8.150 nan 0.000 0.402 398 T N 0.331 114.932 114.554 0.078 0.000 2.933 398 T HA 0.707 5.057 4.350 -0.000 0.000 0.305 398 T C -1.191 173.578 174.700 0.115 0.000 1.092 398 T CA -0.511 61.618 62.100 0.048 0.000 1.008 398 T CB 0.732 69.654 68.868 0.091 0.000 1.102 398 T HN 0.666 nan 8.240 nan 0.000 0.469 399 L N 2.727 123.985 121.223 0.058 0.000 2.362 399 L HA 0.823 5.162 4.340 -0.000 0.000 0.271 399 L C -0.813 176.087 176.870 0.050 0.000 1.002 399 L CA -1.319 53.564 54.840 0.071 0.000 0.818 399 L CB 2.491 44.553 42.059 0.005 0.000 1.298 399 L HN 0.523 nan 8.230 nan 0.000 0.420 400 V N 3.379 123.331 119.914 0.064 0.000 2.407 400 V HA 0.479 4.599 4.120 -0.000 0.000 0.291 400 V C -0.202 175.916 176.094 0.040 0.000 1.018 400 V CA -0.307 62.026 62.300 0.056 0.000 0.842 400 V CB 1.688 33.555 31.823 0.073 0.000 0.996 400 V HN 0.696 nan 8.190 nan 0.000 0.426 401 M N 5.194 124.812 119.600 0.029 0.000 2.364 401 M HA 0.642 5.122 4.480 -0.000 0.000 0.334 401 M C -0.386 175.930 176.300 0.026 0.000 1.107 401 M CA -0.221 55.091 55.300 0.020 0.000 0.988 401 M CB 2.101 34.705 32.600 0.007 0.000 1.673 401 M HN 0.557 nan 8.290 nan 0.000 0.441 402 R N 1.526 122.038 120.500 0.020 0.000 2.744 402 R HA 0.477 4.817 4.340 -0.000 0.000 0.279 402 R C -1.057 175.249 176.300 0.010 0.000 0.977 402 R CA -0.820 55.291 56.100 0.019 0.000 0.906 402 R CB 1.868 32.180 30.300 0.021 0.000 1.197 402 R HN 0.612 nan 8.270 nan 0.000 0.463 403 K N 2.336 122.740 120.400 0.007 0.000 2.355 403 K HA 0.054 4.374 4.320 -0.000 0.000 0.270 403 K C 0.080 176.674 176.600 -0.010 0.000 1.003 403 K CA -0.343 55.942 56.287 -0.004 0.000 0.957 403 K CB 0.538 33.035 32.500 -0.004 0.000 0.939 403 K HN 0.228 nan 8.250 nan 0.000 0.482 404 L N 0.000 121.209 121.223 -0.024 0.000 2.949 404 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 404 L CA 0.000 54.826 54.840 -0.024 0.000 0.813 404 L CB 0.000 42.036 42.059 -0.039 0.000 0.961 404 L HN 0.000 nan 8.230 nan 0.000 0.502