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 1ixq_1_C DATA FIRST_RESID 2 DATA SEQUENCE AELLLGVNID HIATLRNARG TAYPDPVQAA FIAEQAGADG ITVHLREDRR DATA SEQUENCE HITDRDVRIL RQTLDTRMNL EMAVTEEMLA IAVETKPHFC CLVPEXXXXX DATA SEQUENCE XXEGGLDVAG QRDKMRDACK RLADAGIQVS LFIDADEEQI KAAAEVGAPF DATA SEQUENCE IEIHTGCYAD AKTDAEQAQE LARIAKAATF AASLGLKVNA GHGLTYHNVK DATA SEQUENCE AIAAIPEMHE LNIGHAIIGR AVMTGLKDAV AEMKRLMLEA RG 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.577 177.584 -0.011 0.000 1.274 2 A CA 0.000 52.042 52.037 0.008 0.000 0.836 2 A CB 0.000 19.004 19.000 0.006 0.000 0.831 3 E N 0.369 120.555 120.200 -0.023 0.000 2.371 3 E HA 0.475 4.823 4.350 -0.002 0.000 0.257 3 E C -0.199 176.362 176.600 -0.066 0.000 1.134 3 E CA -0.431 55.949 56.400 -0.033 0.000 0.919 3 E CB 0.543 30.228 29.700 -0.025 0.000 1.025 3 E HN 0.596 nan 8.360 nan 0.000 0.438 4 L N 3.573 124.762 121.223 -0.058 0.000 2.540 4 L HA 0.026 4.365 4.340 -0.002 0.000 0.276 4 L C -0.347 176.466 176.870 -0.095 0.000 1.212 4 L CA 0.211 55.004 54.840 -0.078 0.000 0.893 4 L CB -0.009 42.021 42.059 -0.047 0.000 1.138 4 L HN 0.536 nan 8.230 nan 0.000 0.491 5 L N 5.501 126.637 121.223 -0.145 0.000 2.399 5 L HA 0.437 4.776 4.340 -0.002 0.000 0.265 5 L C -0.169 176.652 176.870 -0.082 0.000 1.089 5 L CA -0.537 54.230 54.840 -0.122 0.000 0.802 5 L CB 1.510 43.463 42.059 -0.176 0.000 1.180 5 L HN 0.536 nan 8.230 nan 0.000 0.454 6 L N 0.945 122.131 121.223 -0.062 0.000 2.376 6 L HA 0.643 4.982 4.340 -0.002 0.000 0.275 6 L C -0.434 176.405 176.870 -0.051 0.000 0.987 6 L CA -0.265 54.543 54.840 -0.053 0.000 0.828 6 L CB 1.664 43.697 42.059 -0.042 0.000 1.249 6 L HN 0.675 nan 8.230 nan 0.000 0.409 7 G N 4.289 113.054 108.800 -0.059 0.000 2.417 7 G HA2 0.547 4.505 3.960 -0.002 0.000 0.320 7 G HA3 0.547 4.505 3.960 -0.002 0.000 0.320 7 G C -1.164 173.699 174.900 -0.062 0.000 1.204 7 G CA -0.315 44.748 45.100 -0.060 0.000 0.923 7 G HN 0.371 nan 8.290 nan 0.000 0.466 8 V N 3.494 123.374 119.914 -0.057 0.000 2.370 8 V HA 0.271 4.390 4.120 -0.002 0.000 0.283 8 V C -0.047 176.002 176.094 -0.075 0.000 1.023 8 V CA -1.237 61.026 62.300 -0.062 0.000 0.857 8 V CB 1.446 33.243 31.823 -0.043 0.000 0.985 8 V HN 0.756 nan 8.190 nan 0.000 0.443 9 N N 5.132 123.771 118.700 -0.101 0.000 2.422 9 N HA 0.249 4.988 4.740 -0.002 0.000 0.264 9 N C 0.496 175.926 175.510 -0.133 0.000 1.063 9 N CA -0.369 52.606 53.050 -0.125 0.000 0.959 9 N CB 1.409 39.791 38.487 -0.174 0.000 1.087 9 N HN 0.784 nan 8.380 nan 0.000 0.483 10 I N -0.084 120.418 120.570 -0.113 0.000 3.904 10 I HA 0.210 4.378 4.170 -0.002 0.000 0.333 10 I C 0.230 176.266 176.117 -0.135 0.000 1.361 10 I CA -0.334 60.908 61.300 -0.097 0.000 1.116 10 I CB 0.163 38.130 38.000 -0.055 0.000 1.028 10 I HN 0.148 nan 8.210 nan 0.000 0.398 11 D N 2.002 122.258 120.400 -0.240 0.000 2.133 11 D HA -0.238 4.401 4.640 -0.002 0.000 0.192 11 D C 1.710 177.836 176.300 -0.290 0.000 1.001 11 D CA 1.808 55.562 54.000 -0.410 0.000 0.844 11 D CB -0.346 40.046 40.800 -0.680 0.000 0.944 11 D HN 0.518 nan 8.370 nan 0.000 0.447 12 H N -0.077 118.878 119.070 -0.192 0.000 2.545 12 H HA 0.007 4.561 4.556 -0.002 0.000 0.282 12 H C 2.046 177.352 175.328 -0.038 0.000 1.020 12 H CA 0.015 56.016 56.048 -0.079 0.000 1.243 12 H CB -0.014 29.756 29.762 0.013 0.000 1.377 12 H HN 0.189 nan 8.280 nan 0.000 0.581 13 I N 0.321 120.930 120.570 0.065 0.000 2.202 13 I HA -0.160 4.009 4.170 -0.002 0.000 0.242 13 I C 2.477 178.623 176.117 0.049 0.000 1.091 13 I CA 1.137 62.468 61.300 0.052 0.000 1.368 13 I CB -1.196 36.822 38.000 0.031 0.000 1.058 13 I HN 0.157 nan 8.210 nan 0.000 0.410 14 A N 0.593 123.432 122.820 0.031 0.000 2.015 14 A HA -0.193 4.126 4.320 -0.002 0.000 0.219 14 A C 2.351 179.987 177.584 0.085 0.000 1.163 14 A CA 2.129 54.195 52.037 0.049 0.000 0.646 14 A CB -1.028 18.003 19.000 0.052 0.000 0.806 14 A HN 0.562 nan 8.150 nan 0.000 0.448 15 T N -2.588 112.035 114.554 0.115 0.000 2.995 15 T HA -0.041 4.308 4.350 -0.002 0.000 0.269 15 T C 1.583 176.317 174.700 0.058 0.000 1.091 15 T CA 1.410 63.590 62.100 0.132 0.000 1.128 15 T CB -0.262 68.703 68.868 0.161 0.000 0.891 15 T HN 0.174 nan 8.240 nan 0.000 0.492 16 L N 0.429 121.681 121.223 0.048 0.000 2.341 16 L HA 0.409 4.747 4.340 -0.002 0.000 0.214 16 L C 2.626 179.505 176.870 0.015 0.000 1.115 16 L CA 0.919 55.779 54.840 0.033 0.000 0.820 16 L CB -0.505 41.582 42.059 0.046 0.000 0.944 16 L HN 0.237 nan 8.230 nan 0.000 0.452 17 R N -0.645 119.859 120.500 0.006 0.000 2.057 17 R HA -0.050 4.289 4.340 -0.002 0.000 0.224 17 R C 1.433 177.695 176.300 -0.063 0.000 1.136 17 R CA 1.384 57.455 56.100 -0.049 0.000 0.968 17 R CB -0.160 30.119 30.300 -0.035 0.000 0.863 17 R HN 0.310 nan 8.270 nan 0.000 0.433 18 N N 0.710 119.398 118.700 -0.019 0.000 2.609 18 N HA -0.030 4.709 4.740 -0.002 0.000 0.190 18 N C 0.753 176.251 175.510 -0.020 0.000 1.157 18 N CA 0.837 53.875 53.050 -0.019 0.000 0.918 18 N CB 0.293 38.785 38.487 0.009 0.000 0.978 18 N HN 0.312 nan 8.380 nan 0.000 0.448 19 A N -0.275 122.534 122.820 -0.018 0.000 2.238 19 A HA 0.201 4.520 4.320 -0.002 0.000 0.208 19 A C 1.929 179.498 177.584 -0.025 0.000 1.177 19 A CA 0.573 52.602 52.037 -0.014 0.000 0.804 19 A CB 0.105 19.104 19.000 -0.003 0.000 0.823 19 A HN 0.099 nan 8.150 nan 0.000 0.482 20 R N -2.615 117.855 120.500 -0.049 0.000 2.532 20 R HA 0.201 4.540 4.340 -0.002 0.000 0.312 20 R C 1.011 177.259 176.300 -0.086 0.000 0.923 20 R CA 0.952 57.014 56.100 -0.062 0.000 1.115 20 R CB -0.464 29.793 30.300 -0.072 0.000 1.703 20 R HN 0.735 nan 8.270 nan 0.000 0.498 21 G N 1.037 109.783 108.800 -0.091 0.000 2.175 21 G HA2 -0.376 3.583 3.960 -0.002 0.000 0.265 21 G HA3 -0.376 3.583 3.960 -0.002 0.000 0.265 21 G C 0.408 175.231 174.900 -0.128 0.000 0.979 21 G CA 1.157 46.204 45.100 -0.087 0.000 0.663 21 G HN 0.645 nan 8.290 nan 0.000 0.533 22 T N -2.944 111.470 114.554 -0.233 0.000 2.833 22 T HA 0.698 5.047 4.350 -0.002 0.000 0.312 22 T C 1.651 176.169 174.700 -0.303 0.000 1.085 22 T CA 0.539 62.439 62.100 -0.333 0.000 0.955 22 T CB 1.366 69.780 68.868 -0.756 0.000 1.353 22 T HN 1.210 nan 8.240 nan 0.000 0.544 23 A N -0.555 122.093 122.820 -0.288 0.000 2.220 23 A HA 0.370 4.689 4.320 -0.002 0.000 0.211 23 A C 0.320 177.859 177.584 -0.074 0.000 1.176 23 A CA -0.280 51.691 52.037 -0.110 0.000 0.834 23 A CB -0.607 18.400 19.000 0.012 0.000 0.868 23 A HN 0.814 nan 8.150 nan 0.000 0.488 24 Y N -1.187 119.126 120.300 0.021 0.000 2.487 24 Y HA 0.767 5.316 4.550 -0.003 0.000 0.337 24 Y C -2.961 172.952 175.900 0.023 0.000 1.076 24 Y CA -4.280 53.834 58.100 0.022 0.000 1.115 24 Y CB 0.512 38.983 38.460 0.019 0.000 1.235 24 Y HN -0.107 nan 8.280 nan 0.000 0.468 25 P HA 0.079 nan 4.420 nan 0.000 0.276 25 P C -1.071 176.296 177.300 0.111 0.000 1.252 25 P CA -0.105 63.110 63.100 0.191 0.000 0.802 25 P CB 1.384 33.167 31.700 0.139 0.000 1.035 26 D N 1.224 121.691 120.400 0.112 0.000 2.303 26 D HA 0.228 4.866 4.640 -0.002 0.000 0.236 26 D C -1.766 174.576 176.300 0.070 0.000 1.068 26 D CA -2.385 51.665 54.000 0.083 0.000 0.830 26 D CB 1.413 42.270 40.800 0.095 0.000 1.109 26 D HN 0.009 nan 8.370 nan 0.000 0.496 27 P HA -0.140 nan 4.420 nan 0.000 0.217 27 P C 1.552 178.867 177.300 0.026 0.000 1.148 27 P CA 0.550 63.666 63.100 0.026 0.000 0.828 27 P CB 0.480 32.185 31.700 0.008 0.000 0.783 28 V N -0.240 119.701 119.914 0.045 0.000 2.343 28 V HA -0.276 3.843 4.120 -0.002 0.000 0.247 28 V C 2.648 178.835 176.094 0.155 0.000 1.051 28 V CA 1.927 64.258 62.300 0.052 0.000 1.036 28 V CB -1.143 30.738 31.823 0.096 0.000 0.654 28 V HN 0.218 nan 8.190 nan 0.000 0.451 29 Q N -0.037 119.875 119.800 0.186 0.000 2.046 29 Q HA -0.185 4.154 4.340 -0.002 0.000 0.200 29 Q C 2.313 178.425 176.000 0.186 0.000 0.975 29 Q CA 1.845 57.789 55.803 0.236 0.000 0.836 29 Q CB -0.296 28.527 28.738 0.142 0.000 0.896 29 Q HN 0.600 nan 8.270 nan 0.000 0.428 30 A N 0.950 123.832 122.820 0.104 0.000 1.948 30 A HA -0.197 4.122 4.320 -0.002 0.000 0.220 30 A C 2.284 179.896 177.584 0.047 0.000 1.177 30 A CA 1.902 53.979 52.037 0.067 0.000 0.636 30 A CB -1.026 17.997 19.000 0.039 0.000 0.815 30 A HN 0.583 nan 8.150 nan 0.000 0.449 31 A N -1.225 121.596 122.820 0.003 0.000 1.902 31 A HA -0.030 4.289 4.320 -0.002 0.000 0.217 31 A C 2.016 179.558 177.584 -0.070 0.000 1.181 31 A CA 1.463 53.453 52.037 -0.078 0.000 0.623 31 A CB -0.779 18.113 19.000 -0.179 0.000 0.818 31 A HN 0.501 nan 8.150 nan 0.000 0.443 32 F N -0.010 119.943 119.950 0.005 0.000 2.095 32 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 32 F C 2.213 178.015 175.800 0.003 0.000 1.104 32 F CA 1.584 59.586 58.000 0.003 0.000 1.232 32 F CB -0.314 38.689 39.000 0.005 0.000 0.987 32 F HN 0.137 nan 8.300 nan 0.000 0.475 33 I N -0.206 120.488 120.570 0.206 0.000 2.127 33 I HA -0.355 3.814 4.170 -0.002 0.000 0.241 33 I C 2.681 178.842 176.117 0.073 0.000 1.075 33 I CA 1.343 62.712 61.300 0.114 0.000 1.334 33 I CB -0.840 37.211 38.000 0.084 0.000 1.040 33 I HN 0.112 nan 8.210 nan 0.000 0.405 34 A N 0.339 123.190 122.820 0.051 0.000 1.908 34 A HA -0.239 4.079 4.320 -0.002 0.000 0.218 34 A C 2.205 179.801 177.584 0.020 0.000 1.181 34 A CA 1.799 53.852 52.037 0.026 0.000 0.627 34 A CB -0.680 18.323 19.000 0.006 0.000 0.818 34 A HN 0.481 nan 8.150 nan 0.000 0.445 35 E N -0.615 119.596 120.200 0.018 0.000 2.204 35 E HA -0.208 4.141 4.350 -0.002 0.000 0.195 35 E C 1.788 178.408 176.600 0.033 0.000 0.990 35 E CA 1.236 57.643 56.400 0.012 0.000 0.821 35 E CB -0.126 29.572 29.700 -0.005 0.000 0.750 35 E HN 0.746 nan 8.360 nan 0.000 0.477 36 Q N -0.920 118.913 119.800 0.055 0.000 2.319 36 Q HA 0.171 4.510 4.340 -0.002 0.000 0.202 36 Q C 0.876 176.897 176.000 0.035 0.000 0.896 36 Q CA 0.134 55.967 55.803 0.051 0.000 0.942 36 Q CB 0.918 29.697 28.738 0.068 0.000 1.083 36 Q HN 0.102 nan 8.270 nan 0.000 0.510 37 A N -0.782 122.056 122.820 0.031 0.000 2.538 37 A HA 0.552 4.870 4.320 -0.002 0.000 0.269 37 A C 1.053 178.648 177.584 0.019 0.000 1.231 37 A CA 0.387 52.439 52.037 0.025 0.000 0.948 37 A CB 0.447 19.464 19.000 0.029 0.000 1.110 37 A HN 0.300 nan 8.150 nan 0.000 0.529 38 G N -1.780 107.028 108.800 0.013 0.000 2.273 38 G HA2 0.244 4.202 3.960 -0.002 0.000 0.162 38 G HA3 0.244 4.202 3.960 -0.002 0.000 0.162 38 G C 0.380 175.278 174.900 -0.003 0.000 1.006 38 G CA -0.052 45.051 45.100 0.006 0.000 0.704 38 G HN 1.438 nan 8.290 nan 0.000 0.487 39 A N 0.444 123.262 122.820 -0.003 0.000 2.363 39 A HA 0.618 4.937 4.320 -0.002 0.000 0.270 39 A C 0.780 178.354 177.584 -0.016 0.000 1.121 39 A CA 0.488 52.517 52.037 -0.014 0.000 0.800 39 A CB 0.427 19.417 19.000 -0.016 0.000 1.052 39 A HN 0.141 nan 8.150 nan 0.000 0.493 40 D N 1.149 121.536 120.400 -0.022 0.000 2.389 40 D HA 0.237 4.876 4.640 -0.002 0.000 0.206 40 D C 0.694 176.989 176.300 -0.008 0.000 1.055 40 D CA 1.178 55.168 54.000 -0.017 0.000 0.856 40 D CB 0.862 41.648 40.800 -0.024 0.000 0.957 40 D HN 0.713 nan 8.370 nan 0.000 0.509 41 G N 0.339 109.131 108.800 -0.013 0.000 2.646 41 G HA2 0.486 4.445 3.960 -0.002 0.000 0.291 41 G HA3 0.486 4.445 3.960 -0.002 0.000 0.291 41 G C -1.579 173.308 174.900 -0.021 0.000 1.445 41 G CA -0.475 44.625 45.100 0.000 0.000 0.814 41 G HN -0.110 nan 8.290 nan 0.000 0.495 42 I N 0.949 121.509 120.570 -0.018 0.000 2.465 42 I HA 0.478 4.647 4.170 -0.002 0.000 0.291 42 I C -0.131 175.971 176.117 -0.026 0.000 1.014 42 I CA -0.546 60.732 61.300 -0.036 0.000 1.093 42 I CB 1.688 39.655 38.000 -0.055 0.000 1.267 42 I HN 0.318 nan 8.210 nan 0.000 0.431 43 T N 5.888 120.416 114.554 -0.043 0.000 2.797 43 T HA 0.673 5.021 4.350 -0.002 0.000 0.279 43 T C -0.220 174.456 174.700 -0.041 0.000 0.991 43 T CA -0.492 61.582 62.100 -0.042 0.000 0.979 43 T CB 1.832 70.660 68.868 -0.066 0.000 0.943 43 T HN 0.389 nan 8.240 nan 0.000 0.444 44 V N 1.433 121.339 119.914 -0.014 0.000 2.709 44 V HA 0.516 4.634 4.120 -0.002 0.000 0.308 44 V C -0.707 175.433 176.094 0.077 0.000 1.062 44 V CA -1.078 61.228 62.300 0.011 0.000 0.901 44 V CB 1.710 33.541 31.823 0.014 0.000 1.003 44 V HN 1.035 nan 8.190 nan 0.000 0.425 45 H N 4.496 123.553 119.070 -0.022 0.000 2.581 45 H HA 0.543 5.098 4.556 -0.002 0.000 0.308 45 H C -1.027 174.343 175.328 0.069 0.000 1.040 45 H CA -0.915 55.143 56.048 0.016 0.000 1.231 45 H CB 1.543 31.323 29.762 0.031 0.000 1.396 45 H HN 0.759 nan 8.280 nan 0.000 0.467 46 L N 7.079 128.495 121.223 0.321 0.000 2.302 46 L HA 0.295 4.633 4.340 -0.002 0.000 0.285 46 L C -0.003 176.958 176.870 0.151 0.000 1.090 46 L CA -0.328 54.611 54.840 0.165 0.000 0.866 46 L CB -0.126 41.995 42.059 0.103 0.000 1.244 46 L HN 0.740 nan 8.230 nan 0.000 0.435 47 R N 1.857 122.338 120.500 -0.032 0.000 2.707 47 R HA -0.005 4.333 4.340 -0.002 0.000 0.270 47 R C 0.858 177.139 176.300 -0.031 0.000 1.083 47 R CA -0.145 55.897 56.100 -0.098 0.000 1.182 47 R CB 0.764 30.896 30.300 -0.280 0.000 1.084 47 R HN 0.514 nan 8.270 nan 0.000 0.528 48 E N 0.693 120.882 120.200 -0.018 0.000 2.208 48 E HA -0.158 4.191 4.350 -0.002 0.000 0.193 48 E C 0.666 177.248 176.600 -0.030 0.000 0.988 48 E CA 1.261 57.654 56.400 -0.011 0.000 0.828 48 E CB 0.218 29.918 29.700 -0.001 0.000 0.763 48 E HN 0.608 nan 8.360 nan 0.000 0.478 49 D N -0.417 119.948 120.400 -0.057 0.000 2.339 49 D HA -0.089 4.550 4.640 -0.002 0.000 0.217 49 D C 0.019 176.276 176.300 -0.071 0.000 1.050 49 D CA 0.008 53.971 54.000 -0.062 0.000 0.856 49 D CB 0.121 40.877 40.800 -0.074 0.000 0.922 49 D HN -0.074 nan 8.370 nan 0.000 0.518 50 R N 0.650 121.105 120.500 -0.074 0.000 3.502 50 R HA -0.241 4.097 4.340 -0.002 0.000 0.266 50 R C 1.352 177.601 176.300 -0.085 0.000 1.077 50 R CA 0.716 56.780 56.100 -0.060 0.000 0.718 50 R CB -2.660 27.623 30.300 -0.028 0.000 1.120 50 R HN 0.486 nan 8.270 nan 0.000 0.457 51 R N 1.130 121.528 120.500 -0.170 0.000 2.103 51 R HA -0.195 4.143 4.340 -0.002 0.000 0.234 51 R C 1.958 178.186 176.300 -0.120 0.000 1.132 51 R CA 2.399 58.382 56.100 -0.196 0.000 0.925 51 R CB -0.110 29.984 30.300 -0.342 0.000 0.842 51 R HN 0.798 nan 8.270 nan 0.000 0.430 52 H N -1.580 117.467 119.070 -0.038 0.000 2.336 52 H HA 0.250 4.805 4.556 -0.002 0.000 0.307 52 H C 0.813 176.132 175.328 -0.015 0.000 1.056 52 H CA -0.806 55.233 56.048 -0.015 0.000 1.471 52 H CB -0.017 29.755 29.762 0.016 0.000 1.502 52 H HN 0.018 nan 8.280 nan 0.000 0.630 53 I N 3.703 124.460 120.570 0.311 0.000 2.638 53 I HA 0.060 4.228 4.170 -0.002 0.000 0.286 53 I C 1.006 177.169 176.117 0.076 0.000 1.088 53 I CA 0.278 61.661 61.300 0.138 0.000 1.397 53 I CB 1.247 39.321 38.000 0.123 0.000 1.414 53 I HN 0.498 nan 8.210 nan 0.000 0.566 54 T N 0.352 114.934 114.554 0.045 0.000 2.910 54 T HA 0.352 4.701 4.350 -0.002 0.000 0.287 54 T C 0.636 175.349 174.700 0.022 0.000 1.050 54 T CA -0.721 61.395 62.100 0.026 0.000 1.011 54 T CB 1.895 70.773 68.868 0.017 0.000 1.195 54 T HN 0.460 nan 8.240 nan 0.000 0.540 55 D N -0.208 120.202 120.400 0.016 0.000 2.178 55 D HA -0.094 4.545 4.640 -0.002 0.000 0.201 55 D C 2.053 178.361 176.300 0.013 0.000 0.980 55 D CA 0.608 54.617 54.000 0.014 0.000 0.842 55 D CB -0.081 40.725 40.800 0.010 0.000 0.948 55 D HN 0.450 nan 8.370 nan 0.000 0.472 56 R N 1.540 122.047 120.500 0.012 0.000 2.070 56 R HA -0.138 4.200 4.340 -0.002 0.000 0.233 56 R C 1.233 177.541 176.300 0.014 0.000 1.137 56 R CA 1.404 57.512 56.100 0.013 0.000 0.945 56 R CB -0.559 29.748 30.300 0.012 0.000 0.845 56 R HN 0.038 nan 8.270 nan 0.000 0.430 57 D N 0.394 120.803 120.400 0.015 0.000 2.116 57 D HA -0.147 4.492 4.640 -0.002 0.000 0.193 57 D C 2.043 178.346 176.300 0.006 0.000 0.998 57 D CA 1.638 55.646 54.000 0.013 0.000 0.836 57 D CB -0.282 40.528 40.800 0.017 0.000 0.951 57 D HN 0.124 nan 8.370 nan 0.000 0.449 58 V N 0.930 120.850 119.914 0.010 0.000 2.343 58 V HA -0.230 3.889 4.120 -0.002 0.000 0.247 58 V C 2.567 178.662 176.094 0.001 0.000 1.051 58 V CA 1.788 64.091 62.300 0.006 0.000 1.036 58 V CB -0.502 31.329 31.823 0.014 0.000 0.654 58 V HN 0.149 nan 8.190 nan 0.000 0.451 59 R N 0.238 120.741 120.500 0.005 0.000 2.073 59 R HA -0.129 4.210 4.340 -0.002 0.000 0.234 59 R C 2.252 178.553 176.300 0.002 0.000 1.134 59 R CA 1.955 58.057 56.100 0.004 0.000 0.952 59 R CB -0.310 29.995 30.300 0.008 0.000 0.850 59 R HN 0.469 nan 8.270 nan 0.000 0.433 60 I N 0.589 121.162 120.570 0.005 0.000 2.202 60 I HA -0.242 3.926 4.170 -0.002 0.000 0.242 60 I C 2.185 178.294 176.117 -0.014 0.000 1.091 60 I CA 0.524 61.828 61.300 0.008 0.000 1.368 60 I CB -0.320 37.693 38.000 0.021 0.000 1.058 60 I HN 0.207 nan 8.210 nan 0.000 0.410 61 L N 1.070 122.277 121.223 -0.027 0.000 2.081 61 L HA -0.238 4.101 4.340 -0.002 0.000 0.212 61 L C 2.568 179.399 176.870 -0.065 0.000 1.080 61 L CA 1.791 56.593 54.840 -0.064 0.000 0.754 61 L CB -0.950 41.079 42.059 -0.050 0.000 0.893 61 L HN 0.151 nan 8.230 nan 0.000 0.433 62 R N -0.680 119.799 120.500 -0.035 0.000 2.148 62 R HA -0.116 4.223 4.340 -0.002 0.000 0.227 62 R C 2.054 178.337 176.300 -0.029 0.000 1.103 62 R CA 1.376 57.459 56.100 -0.028 0.000 0.983 62 R CB -0.100 30.193 30.300 -0.013 0.000 0.874 62 R HN 0.553 nan 8.270 nan 0.000 0.451 63 Q N -1.747 118.039 119.800 -0.023 0.000 2.396 63 Q HA 0.058 4.397 4.340 -0.002 0.000 0.209 63 Q C 1.143 177.135 176.000 -0.014 0.000 0.906 63 Q CA 1.257 57.054 55.803 -0.009 0.000 0.927 63 Q CB 0.898 29.642 28.738 0.009 0.000 1.069 63 Q HN 0.484 nan 8.270 nan 0.000 0.523 64 T N -2.305 112.213 114.554 -0.061 0.000 3.015 64 T HA 0.227 4.575 4.350 -0.002 0.000 0.250 64 T C 0.770 175.298 174.700 -0.287 0.000 1.057 64 T CA -0.303 61.724 62.100 -0.121 0.000 1.066 64 T CB 0.030 68.802 68.868 -0.160 0.000 0.959 64 T HN -0.019 nan 8.240 nan 0.000 0.488 65 L N 2.389 123.469 121.223 -0.238 0.000 2.490 65 L HA 0.183 4.522 4.340 -0.002 0.000 0.274 65 L C 1.437 178.227 176.870 -0.134 0.000 1.201 65 L CA 0.094 54.798 54.840 -0.226 0.000 0.869 65 L CB 0.488 42.462 42.059 -0.142 0.000 1.123 65 L HN 0.154 nan 8.230 nan 0.000 0.484 66 D N -0.255 120.077 120.400 -0.114 0.000 2.301 66 D HA -0.062 4.576 4.640 -0.002 0.000 0.206 66 D C 1.383 177.655 176.300 -0.047 0.000 0.979 66 D CA 1.015 54.989 54.000 -0.042 0.000 0.874 66 D CB 0.478 41.281 40.800 0.005 0.000 0.968 66 D HN 0.752 nan 8.370 nan 0.000 0.510 67 T N -1.921 112.596 114.554 -0.062 0.000 2.813 67 T HA 0.274 4.623 4.350 -0.002 0.000 0.188 67 T C 0.499 175.148 174.700 -0.086 0.000 0.698 67 T CA -0.535 61.528 62.100 -0.063 0.000 2.089 67 T CB 0.173 69.015 68.868 -0.043 0.000 2.834 67 T HN 0.020 nan 8.240 nan 0.000 0.370 68 R N 0.893 121.354 120.500 -0.065 0.000 2.673 68 R HA 0.553 4.892 4.340 -0.002 0.000 0.281 68 R C -1.122 175.199 176.300 0.036 0.000 0.991 68 R CA -1.001 55.065 56.100 -0.056 0.000 0.896 68 R CB 1.337 31.532 30.300 -0.177 0.000 1.201 68 R HN 0.805 nan 8.270 nan 0.000 0.457 69 M N 2.592 122.219 119.600 0.045 0.000 2.235 69 M HA 0.260 4.739 4.480 -0.002 0.000 0.351 69 M C -0.916 175.470 176.300 0.143 0.000 1.178 69 M CA -0.121 55.214 55.300 0.058 0.000 1.143 69 M CB 0.795 33.408 32.600 0.022 0.000 1.530 69 M HN 0.715 nan 8.290 nan 0.000 0.461 70 N N 5.526 124.292 118.700 0.110 0.000 2.564 70 N HA 0.309 5.047 4.740 -0.002 0.000 0.248 70 N C -1.860 173.673 175.510 0.038 0.000 0.986 70 N CA -0.413 52.709 53.050 0.120 0.000 0.921 70 N CB 0.854 39.354 38.487 0.020 0.000 1.136 70 N HN 0.858 nan 8.380 nan 0.000 0.509 71 L N 2.064 123.312 121.223 0.041 0.000 2.361 71 L HA 0.290 4.629 4.340 -0.002 0.000 0.278 71 L C 0.197 177.047 176.870 -0.034 0.000 1.113 71 L CA -0.183 54.664 54.840 0.011 0.000 0.849 71 L CB 0.544 42.613 42.059 0.016 0.000 1.155 71 L HN 0.564 nan 8.230 nan 0.000 0.452 72 E N 6.245 126.406 120.200 -0.066 0.000 2.156 72 E HA 0.522 4.871 4.350 -0.002 0.000 0.279 72 E C -0.801 175.657 176.600 -0.236 0.000 0.965 72 E CA -0.448 55.822 56.400 -0.216 0.000 0.789 72 E CB 1.174 30.683 29.700 -0.317 0.000 1.098 72 E HN 0.541 nan 8.360 nan 0.000 0.397 73 M N 1.102 120.557 119.600 -0.242 0.000 2.682 73 M HA 0.681 5.160 4.480 -0.002 0.000 0.272 73 M C -1.369 174.871 176.300 -0.100 0.000 1.232 73 M CA -1.098 54.135 55.300 -0.111 0.000 0.849 73 M CB 1.409 33.999 32.600 -0.016 0.000 1.695 73 M HN 0.337 nan 8.290 nan 0.000 0.481 74 A N 1.028 123.839 122.820 -0.015 0.000 2.304 74 A HA 0.670 4.989 4.320 -0.002 0.000 0.271 74 A C -0.019 177.564 177.584 -0.003 0.000 1.091 74 A CA -0.767 51.267 52.037 -0.006 0.000 0.812 74 A CB 0.547 19.564 19.000 0.028 0.000 1.056 74 A HN 0.848 nan 8.150 nan 0.000 0.489 75 V N 2.086 122.000 119.914 -0.000 0.000 2.276 75 V HA 0.434 4.553 4.120 -0.002 0.000 0.249 75 V C 0.519 176.617 176.094 0.007 0.000 1.160 75 V CA 0.330 62.632 62.300 0.003 0.000 1.042 75 V CB -1.064 30.762 31.823 0.005 0.000 1.224 75 V HN 1.019 nan 8.190 nan 0.000 0.496 76 T N -0.786 113.773 114.554 0.008 0.000 2.896 76 T HA 0.493 4.842 4.350 -0.002 0.000 0.297 76 T C 0.618 175.322 174.700 0.007 0.000 1.108 76 T CA -0.465 61.640 62.100 0.008 0.000 1.004 76 T CB 2.410 71.284 68.868 0.010 0.000 1.159 76 T HN 0.283 nan 8.240 nan 0.000 0.499 77 E N 0.827 121.030 120.200 0.006 0.000 2.097 77 E HA -0.209 4.140 4.350 -0.002 0.000 0.196 77 E C 1.706 178.309 176.600 0.005 0.000 1.000 77 E CA 2.257 58.659 56.400 0.004 0.000 0.804 77 E CB -0.269 29.433 29.700 0.004 0.000 0.740 77 E HN 0.821 nan 8.360 nan 0.000 0.454 78 E N -0.853 119.350 120.200 0.006 0.000 2.013 78 E HA -0.234 4.114 4.350 -0.002 0.000 0.202 78 E C 1.954 178.559 176.600 0.008 0.000 1.018 78 E CA 1.866 58.270 56.400 0.007 0.000 0.834 78 E CB -0.152 29.553 29.700 0.008 0.000 0.770 78 E HN 0.232 nan 8.360 nan 0.000 0.459 79 M N 0.458 120.065 119.600 0.011 0.000 2.144 79 M HA -0.192 4.286 4.480 -0.002 0.000 0.260 79 M C 2.447 178.752 176.300 0.007 0.000 1.067 79 M CA 1.305 56.612 55.300 0.013 0.000 1.095 79 M CB -1.083 31.527 32.600 0.017 0.000 1.365 79 M HN 0.262 nan 8.290 nan 0.000 0.406 80 L N -0.499 120.727 121.223 0.005 0.000 2.017 80 L HA -0.167 4.172 4.340 -0.002 0.000 0.208 80 L C 2.742 179.612 176.870 0.000 0.000 1.073 80 L CA 1.205 56.045 54.840 0.001 0.000 0.745 80 L CB -0.897 41.163 42.059 0.001 0.000 0.894 80 L HN 0.283 nan 8.230 nan 0.000 0.432 81 A N 0.295 123.116 122.820 0.001 0.000 1.902 81 A HA -0.194 4.125 4.320 -0.002 0.000 0.217 81 A C 2.201 179.785 177.584 0.001 0.000 1.181 81 A CA 1.569 53.606 52.037 0.000 0.000 0.623 81 A CB -0.662 18.339 19.000 0.001 0.000 0.818 81 A HN 0.352 nan 8.150 nan 0.000 0.443 82 I N -0.324 120.248 120.570 0.003 0.000 2.142 82 I HA -0.289 3.880 4.170 -0.002 0.000 0.240 82 I C 3.018 179.137 176.117 0.002 0.000 1.078 82 I CA 1.149 62.451 61.300 0.005 0.000 1.343 82 I CB -0.476 37.530 38.000 0.009 0.000 1.046 82 I HN 0.359 nan 8.210 nan 0.000 0.405 83 A N 0.420 123.241 122.820 0.002 0.000 1.940 83 A HA -0.172 4.147 4.320 -0.002 0.000 0.219 83 A C 2.430 180.010 177.584 -0.008 0.000 1.176 83 A CA 1.864 53.901 52.037 -0.002 0.000 0.631 83 A CB -1.007 17.991 19.000 -0.003 0.000 0.814 83 A HN 0.275 nan 8.150 nan 0.000 0.446 84 V N -0.247 119.663 119.914 -0.007 0.000 2.343 84 V HA -0.216 3.902 4.120 -0.002 0.000 0.247 84 V C 2.463 178.551 176.094 -0.010 0.000 1.051 84 V CA 2.180 64.473 62.300 -0.011 0.000 1.036 84 V CB -0.543 31.275 31.823 -0.008 0.000 0.654 84 V HN 0.636 nan 8.190 nan 0.000 0.451 85 E N -0.583 119.613 120.200 -0.006 0.000 2.299 85 E HA -0.106 4.242 4.350 -0.002 0.000 0.193 85 E C 2.204 178.800 176.600 -0.006 0.000 0.998 85 E CA 1.054 57.450 56.400 -0.006 0.000 0.851 85 E CB 0.165 29.864 29.700 -0.003 0.000 0.795 85 E HN 0.546 nan 8.360 nan 0.000 0.492 86 T N 0.323 114.874 114.554 -0.005 0.000 2.985 86 T HA -0.050 4.298 4.350 -0.002 0.000 0.266 86 T C 0.424 175.118 174.700 -0.009 0.000 1.076 86 T CA 0.391 62.488 62.100 -0.004 0.000 1.135 86 T CB 0.067 68.935 68.868 -0.000 0.000 0.890 86 T HN 0.025 nan 8.240 nan 0.000 0.480 87 K N 1.060 121.451 120.400 -0.016 0.000 3.148 87 K HA -0.112 4.207 4.320 -0.002 0.000 0.267 87 K C -2.697 173.886 176.600 -0.028 0.000 0.996 87 K CA 0.204 56.475 56.287 -0.027 0.000 0.737 87 K CB -1.064 31.421 32.500 -0.025 0.000 1.308 87 K HN 0.370 nan 8.250 nan 0.000 0.470 88 P HA -0.010 nan 4.420 nan 0.000 0.274 88 P C 0.384 177.658 177.300 -0.044 0.000 1.231 88 P CA -0.073 63.024 63.100 -0.006 0.000 0.790 88 P CB 0.935 32.644 31.700 0.014 0.000 0.951 89 H N 1.055 120.031 119.070 -0.157 0.000 2.421 89 H HA 0.094 4.649 4.556 -0.001 0.000 0.298 89 H C -0.114 174.883 175.328 -0.551 0.000 1.087 89 H CA 1.436 57.268 56.048 -0.360 0.000 1.330 89 H CB -0.142 29.352 29.762 -0.445 0.000 1.388 89 H HN 0.302 nan 8.280 nan 0.000 0.526 90 F N -1.482 118.464 119.950 -0.006 0.000 2.576 90 F HA 0.409 4.934 4.527 -0.002 0.000 0.313 90 F C -0.891 174.858 175.800 -0.084 0.000 1.078 90 F CA -1.085 56.859 58.000 -0.093 0.000 0.921 90 F CB 1.744 40.678 39.000 -0.110 0.000 1.232 90 F HN -0.137 nan 8.300 nan 0.000 0.459 91 C N 2.537 121.918 119.300 0.136 0.000 2.446 91 C HA 0.578 5.036 4.460 -0.002 0.000 0.329 91 C C -0.840 174.158 174.990 0.012 0.000 1.166 91 C CA -0.995 58.049 59.018 0.043 0.000 1.341 91 C CB 0.196 27.947 27.740 0.018 0.000 1.970 91 C HN 0.920 nan 8.230 nan 0.000 0.452 92 C N 8.029 127.308 119.300 -0.035 0.000 2.271 92 C HA 0.590 5.049 4.460 -0.002 0.000 0.323 92 C C -0.204 174.732 174.990 -0.089 0.000 1.245 92 C CA -0.639 58.342 59.018 -0.062 0.000 1.548 92 C CB -1.072 26.605 27.740 -0.105 0.000 2.214 92 C HN 0.838 nan 8.230 nan 0.000 0.477 93 L N 7.654 128.854 121.223 -0.039 0.000 2.313 93 L HA 0.573 4.912 4.340 -0.002 0.000 0.282 93 L C 0.394 177.238 176.870 -0.042 0.000 1.092 93 L CA -0.082 54.732 54.840 -0.043 0.000 0.831 93 L CB 0.523 42.581 42.059 -0.002 0.000 1.159 93 L HN 0.618 nan 8.230 nan 0.000 0.442 94 V N 1.601 121.445 119.914 -0.117 0.000 3.126 94 V HA 0.684 4.803 4.120 -0.002 0.000 0.314 94 V C -2.644 173.420 176.094 -0.050 0.000 1.138 94 V CA -2.722 59.502 62.300 -0.126 0.000 1.034 94 V CB 1.667 33.245 31.823 -0.409 0.000 1.075 94 V HN 0.465 nan 8.190 nan 0.000 0.442 95 P HA 0.427 nan 4.420 nan 0.000 0.271 95 P C 0.095 177.409 177.300 0.022 0.000 1.218 95 P CA 0.746 63.863 63.100 0.028 0.000 0.780 95 P CB 0.256 31.992 31.700 0.059 0.000 0.901 105 G N -0.903 107.980 108.800 0.139 0.000 2.738 105 G HA2 0.329 4.287 3.960 -0.002 0.000 0.195 105 G HA3 0.329 4.287 3.960 -0.002 0.000 0.195 105 G C 1.046 176.093 174.900 0.245 0.000 1.001 105 G CA 0.668 45.935 45.100 0.278 0.000 0.759 105 G HN 1.439 nan 8.290 nan 0.000 0.494 106 G N -0.200 108.673 108.800 0.123 0.000 2.588 106 G HA2 0.596 4.555 3.960 -0.002 0.000 0.281 106 G HA3 0.596 4.555 3.960 -0.002 0.000 0.281 106 G C 0.263 175.205 174.900 0.070 0.000 1.236 106 G CA -0.662 44.439 45.100 0.003 0.000 0.969 106 G HN 0.458 nan 8.290 nan 0.000 0.504 107 L N -0.171 121.098 121.223 0.075 0.000 2.452 107 L HA 0.134 4.472 4.340 -0.002 0.000 0.267 107 L C -0.041 176.850 176.870 0.035 0.000 1.188 107 L CA -0.360 54.518 54.840 0.063 0.000 0.821 107 L CB 1.024 43.121 42.059 0.064 0.000 1.102 107 L HN 0.433 nan 8.230 nan 0.000 0.470 108 D N 1.831 122.250 120.400 0.031 0.000 2.500 108 D HA 0.159 4.798 4.640 -0.002 0.000 0.219 108 D C 0.608 176.921 176.300 0.021 0.000 1.137 108 D CA -0.313 53.701 54.000 0.023 0.000 0.946 108 D CB 1.112 41.926 40.800 0.022 0.000 1.022 108 D HN 0.187 nan 8.370 nan 0.000 0.518 109 V N 3.446 123.371 119.914 0.020 0.000 2.379 109 V HA -0.077 4.042 4.120 -0.002 0.000 0.243 109 V C 2.575 178.679 176.094 0.017 0.000 1.035 109 V CA 1.472 63.783 62.300 0.018 0.000 1.035 109 V CB -0.781 31.053 31.823 0.018 0.000 0.673 109 V HN 0.578 nan 8.190 nan 0.000 0.457 110 A N 1.072 123.902 122.820 0.018 0.000 1.892 110 A HA -0.177 4.142 4.320 -0.002 0.000 0.218 110 A C 2.247 179.840 177.584 0.014 0.000 1.188 110 A CA 2.223 54.271 52.037 0.017 0.000 0.631 110 A CB -1.208 17.803 19.000 0.019 0.000 0.822 110 A HN 0.579 nan 8.150 nan 0.000 0.447 111 G N -1.997 106.811 108.800 0.014 0.000 2.920 111 G HA2 0.242 4.201 3.960 -0.002 0.000 0.208 111 G HA3 0.242 4.201 3.960 -0.002 0.000 0.208 111 G C 0.764 175.671 174.900 0.012 0.000 1.159 111 G CA 0.504 45.612 45.100 0.012 0.000 0.784 111 G HN 0.621 nan 8.290 nan 0.000 0.535 112 Q N -0.470 119.338 119.800 0.013 0.000 2.248 112 Q HA 0.225 4.563 4.340 -0.002 0.000 0.324 112 Q C 1.365 177.371 176.000 0.011 0.000 0.867 112 Q CA -0.496 55.315 55.803 0.012 0.000 1.101 112 Q CB 0.636 29.382 28.738 0.013 0.000 1.328 112 Q HN 0.253 nan 8.270 nan 0.000 0.408 113 R N 0.670 121.176 120.500 0.010 0.000 2.119 113 R HA -0.195 4.144 4.340 -0.002 0.000 0.246 113 R C 0.863 177.168 176.300 0.008 0.000 1.146 113 R CA 1.770 57.875 56.100 0.009 0.000 0.962 113 R CB -0.094 30.211 30.300 0.009 0.000 0.863 113 R HN 0.384 nan 8.270 nan 0.000 0.442 114 D N 0.522 120.926 120.400 0.007 0.000 2.097 114 D HA -0.159 4.479 4.640 -0.002 0.000 0.195 114 D C 1.809 178.112 176.300 0.006 0.000 0.989 114 D CA 1.012 55.015 54.000 0.006 0.000 0.827 114 D CB -0.170 40.633 40.800 0.005 0.000 0.966 114 D HN 0.223 nan 8.370 nan 0.000 0.456 115 K N 0.265 120.669 120.400 0.007 0.000 2.009 115 K HA -0.149 4.170 4.320 -0.002 0.000 0.210 115 K C 2.106 178.711 176.600 0.008 0.000 1.049 115 K CA 1.093 57.385 56.287 0.008 0.000 0.929 115 K CB 0.012 32.517 32.500 0.009 0.000 0.714 115 K HN -0.058 nan 8.250 nan 0.000 0.440 116 M N 0.758 120.364 119.600 0.010 0.000 2.108 116 M HA -0.158 4.320 4.480 -0.002 0.000 0.261 116 M C 2.255 178.561 176.300 0.010 0.000 1.066 116 M CA 1.532 56.839 55.300 0.012 0.000 1.107 116 M CB -1.280 31.328 32.600 0.014 0.000 1.356 116 M HN 0.240 nan 8.290 nan 0.000 0.406 117 R N 0.438 120.943 120.500 0.007 0.000 2.083 117 R HA -0.188 4.150 4.340 -0.002 0.000 0.237 117 R C 1.576 177.878 176.300 0.004 0.000 1.137 117 R CA 1.992 58.095 56.100 0.005 0.000 0.951 117 R CB -0.107 30.195 30.300 0.003 0.000 0.851 117 R HN 0.278 nan 8.270 nan 0.000 0.434 118 D N 0.173 120.575 120.400 0.004 0.000 2.117 118 D HA -0.072 4.566 4.640 -0.002 0.000 0.198 118 D C 1.763 178.065 176.300 0.003 0.000 0.982 118 D CA 1.373 55.374 54.000 0.003 0.000 0.828 118 D CB -0.334 40.467 40.800 0.002 0.000 0.967 118 D HN 0.380 nan 8.370 nan 0.000 0.464 119 A N 0.657 123.480 122.820 0.005 0.000 1.859 119 A HA -0.253 4.066 4.320 -0.002 0.000 0.217 119 A C 2.566 180.154 177.584 0.006 0.000 1.198 119 A CA 1.837 53.877 52.037 0.005 0.000 0.629 119 A CB -1.189 17.816 19.000 0.007 0.000 0.830 119 A HN 0.381 nan 8.150 nan 0.000 0.446 120 C N -0.629 118.677 119.300 0.009 0.000 2.398 120 C HA -0.131 4.328 4.460 -0.002 0.000 0.276 120 C C 2.755 177.748 174.990 0.006 0.000 1.222 120 C CA 1.364 60.389 59.018 0.012 0.000 1.746 120 C CB -0.991 26.759 27.740 0.016 0.000 2.039 120 C HN 0.601 nan 8.230 nan 0.000 0.470 121 K N 0.967 121.368 120.400 0.003 0.000 2.044 121 K HA -0.183 4.136 4.320 -0.002 0.000 0.210 121 K C 2.259 178.856 176.600 -0.004 0.000 1.049 121 K CA 1.570 57.856 56.287 -0.001 0.000 0.927 121 K CB -0.552 31.947 32.500 -0.002 0.000 0.713 121 K HN 0.522 nan 8.250 nan 0.000 0.443 122 R N 0.306 120.804 120.500 -0.003 0.000 2.081 122 R HA -0.055 4.284 4.340 -0.002 0.000 0.235 122 R C 2.518 178.813 176.300 -0.009 0.000 1.131 122 R CA 1.244 57.341 56.100 -0.005 0.000 0.960 122 R CB -0.180 30.118 30.300 -0.003 0.000 0.856 122 R HN 0.147 nan 8.270 nan 0.000 0.436 123 L N -0.126 121.092 121.223 -0.008 0.000 2.109 123 L HA -0.024 4.315 4.340 -0.002 0.000 0.207 123 L C 2.594 179.450 176.870 -0.022 0.000 1.086 123 L CA 0.998 55.830 54.840 -0.013 0.000 0.760 123 L CB -0.396 41.659 42.059 -0.007 0.000 0.910 123 L HN 0.295 nan 8.230 nan 0.000 0.437 124 A N -0.494 122.317 122.820 -0.016 0.000 2.015 124 A HA -0.190 4.129 4.320 -0.002 0.000 0.219 124 A C 1.837 179.405 177.584 -0.026 0.000 1.163 124 A CA 1.558 53.582 52.037 -0.021 0.000 0.646 124 A CB -0.343 18.651 19.000 -0.010 0.000 0.806 124 A HN 0.308 nan 8.150 nan 0.000 0.448 125 D N -0.076 120.312 120.400 -0.020 0.000 2.269 125 D HA 0.057 4.696 4.640 -0.002 0.000 0.208 125 D C 1.717 178.003 176.300 -0.025 0.000 0.963 125 D CA 1.194 55.182 54.000 -0.020 0.000 0.864 125 D CB -0.081 40.710 40.800 -0.014 0.000 0.936 125 D HN 0.429 nan 8.370 nan 0.000 0.505 126 A N -0.506 122.297 122.820 -0.029 0.000 2.307 126 A HA 0.463 4.782 4.320 -0.002 0.000 0.218 126 A C 1.729 179.283 177.584 -0.050 0.000 1.228 126 A CA 0.835 52.852 52.037 -0.033 0.000 0.857 126 A CB -0.099 18.884 19.000 -0.028 0.000 0.897 126 A HN 0.196 nan 8.150 nan 0.000 0.495 127 G N -0.510 108.255 108.800 -0.059 0.000 2.179 127 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.260 127 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.260 127 G C 0.204 175.019 174.900 -0.143 0.000 0.977 127 G CA 0.311 45.358 45.100 -0.089 0.000 0.641 127 G HN 0.515 nan 8.290 nan 0.000 0.533 128 I N 1.404 121.904 120.570 -0.117 0.000 2.556 128 I HA 0.158 4.327 4.170 -0.002 0.000 0.284 128 I C 0.890 176.932 176.117 -0.125 0.000 1.114 128 I CA 0.046 61.260 61.300 -0.144 0.000 1.418 128 I CB 0.785 38.739 38.000 -0.076 0.000 1.394 128 I HN 0.123 nan 8.210 nan 0.000 0.552 129 Q N 5.305 124.990 119.800 -0.191 0.000 2.294 129 Q HA 0.333 4.672 4.340 -0.002 0.000 0.257 129 Q C -0.784 175.279 176.000 0.105 0.000 0.955 129 Q CA -0.500 55.285 55.803 -0.029 0.000 0.936 129 Q CB 1.920 30.627 28.738 -0.051 0.000 1.188 129 Q HN 0.449 nan 8.270 nan 0.000 0.420 130 V N 2.068 122.056 119.914 0.122 0.000 2.567 130 V HA 0.306 4.425 4.120 -0.002 0.000 0.289 130 V C 0.130 176.317 176.094 0.155 0.000 1.049 130 V CA -0.278 62.089 62.300 0.110 0.000 0.969 130 V CB 1.606 33.471 31.823 0.071 0.000 0.995 130 V HN 0.691 nan 8.190 nan 0.000 0.471 131 S N 4.731 120.483 115.700 0.086 0.000 2.532 131 S HA 0.715 5.184 4.470 -0.002 0.000 0.299 131 S C -1.056 173.591 174.600 0.078 0.000 1.105 131 S CA -0.663 57.596 58.200 0.100 0.000 1.018 131 S CB 0.920 64.108 63.200 -0.019 0.000 1.021 131 S HN 0.564 nan 8.310 nan 0.000 0.483 132 L N 4.744 126.024 121.223 0.095 0.000 2.287 132 L HA 0.518 4.857 4.340 -0.002 0.000 0.287 132 L C -0.517 176.423 176.870 0.117 0.000 1.022 132 L CA -0.729 54.162 54.840 0.086 0.000 0.814 132 L CB 1.111 43.205 42.059 0.058 0.000 1.217 132 L HN 0.704 nan 8.230 nan 0.000 0.420 133 F N 6.441 126.361 119.950 -0.051 0.000 2.438 133 F HA 0.524 5.050 4.527 -0.002 0.000 0.360 133 F C 0.129 175.897 175.800 -0.054 0.000 1.118 133 F CA -0.440 57.513 58.000 -0.079 0.000 1.164 133 F CB 0.308 39.212 39.000 -0.159 0.000 1.131 133 F HN 0.323 nan 8.300 nan 0.000 0.527 134 I N 1.856 122.220 120.570 -0.343 0.000 3.264 134 I HA 0.539 4.708 4.170 -0.002 0.000 0.315 134 I C -1.088 174.860 176.117 -0.281 0.000 1.154 134 I CA -1.250 59.901 61.300 -0.249 0.000 0.962 134 I CB 1.801 39.751 38.000 -0.085 0.000 1.265 134 I HN 0.219 nan 8.210 nan 0.000 0.463 135 D N 1.722 122.038 120.400 -0.139 0.000 2.354 135 D HA 0.315 4.954 4.640 -0.002 0.000 0.247 135 D C 0.122 176.386 176.300 -0.060 0.000 1.138 135 D CA -0.145 53.801 54.000 -0.090 0.000 0.958 135 D CB 1.601 42.373 40.800 -0.048 0.000 1.144 135 D HN 0.731 nan 8.370 nan 0.000 0.458 136 A N 1.392 124.185 122.820 -0.045 0.000 3.030 136 A HA 0.055 4.374 4.320 -0.002 0.000 0.273 136 A C -0.057 177.523 177.584 -0.008 0.000 1.841 136 A CA 0.106 52.132 52.037 -0.019 0.000 1.479 136 A CB -0.457 18.531 19.000 -0.020 0.000 1.048 136 A HN 0.307 nan 8.150 nan 0.000 0.612 137 D N 1.259 121.662 120.400 0.006 0.000 2.505 137 D HA 0.268 4.907 4.640 -0.002 0.000 0.250 137 D C 0.600 176.932 176.300 0.052 0.000 1.164 137 D CA -0.320 53.687 54.000 0.011 0.000 0.870 137 D CB 1.171 41.972 40.800 0.001 0.000 1.160 137 D HN 0.343 nan 8.370 nan 0.000 0.549 138 E N 1.904 122.122 120.200 0.030 0.000 2.097 138 E HA -0.225 4.124 4.350 -0.002 0.000 0.196 138 E C 1.495 178.186 176.600 0.150 0.000 1.000 138 E CA 1.320 57.764 56.400 0.074 0.000 0.804 138 E CB 0.194 29.746 29.700 -0.246 0.000 0.740 138 E HN 0.664 nan 8.360 nan 0.000 0.454 139 E N 0.183 120.418 120.200 0.058 0.000 2.051 139 E HA -0.261 4.088 4.350 -0.002 0.000 0.192 139 E C 1.923 178.566 176.600 0.073 0.000 0.991 139 E CA 1.106 57.543 56.400 0.062 0.000 0.799 139 E CB 0.107 29.822 29.700 0.025 0.000 0.748 139 E HN 0.189 nan 8.360 nan 0.000 0.449 140 Q N 0.237 120.070 119.800 0.055 0.000 2.119 140 Q HA -0.118 4.221 4.340 -0.002 0.000 0.201 140 Q C 2.414 178.443 176.000 0.049 0.000 0.972 140 Q CA 0.987 56.814 55.803 0.040 0.000 0.847 140 Q CB -0.155 28.594 28.738 0.018 0.000 0.903 140 Q HN 0.480 nan 8.270 nan 0.000 0.433 141 I N 0.781 121.402 120.570 0.085 0.000 2.142 141 I HA -0.299 3.870 4.170 -0.002 0.000 0.240 141 I C 2.459 178.592 176.117 0.028 0.000 1.078 141 I CA 1.207 62.547 61.300 0.067 0.000 1.343 141 I CB -0.246 37.843 38.000 0.149 0.000 1.046 141 I HN 0.108 nan 8.210 nan 0.000 0.405 142 K N 1.508 121.983 120.400 0.125 0.000 2.032 142 K HA -0.164 4.155 4.320 -0.002 0.000 0.209 142 K C 2.051 178.667 176.600 0.026 0.000 1.048 142 K CA 1.841 58.172 56.287 0.074 0.000 0.927 142 K CB -0.476 32.142 32.500 0.195 0.000 0.712 142 K HN 0.299 nan 8.250 nan 0.000 0.441 143 A N 0.537 123.381 122.820 0.040 0.000 1.883 143 A HA -0.110 4.208 4.320 -0.002 0.000 0.217 143 A C 2.395 179.983 177.584 0.006 0.000 1.186 143 A CA 2.280 54.330 52.037 0.022 0.000 0.624 143 A CB -1.243 17.772 19.000 0.025 0.000 0.822 143 A HN 0.445 nan 8.150 nan 0.000 0.444 144 A N -0.074 122.748 122.820 0.003 0.000 1.873 144 A HA 0.061 4.379 4.320 -0.002 0.000 0.218 144 A C 2.555 180.126 177.584 -0.021 0.000 1.193 144 A CA 2.564 54.599 52.037 -0.004 0.000 0.629 144 A CB -1.214 17.783 19.000 -0.004 0.000 0.826 144 A HN 1.208 nan 8.150 nan 0.000 0.447 145 A N -0.430 122.361 122.820 -0.048 0.000 1.940 145 A HA -0.213 4.106 4.320 -0.002 0.000 0.219 145 A C 1.913 179.469 177.584 -0.046 0.000 1.176 145 A CA 1.844 53.839 52.037 -0.070 0.000 0.631 145 A CB -0.567 18.359 19.000 -0.122 0.000 0.814 145 A HN 0.670 nan 8.150 nan 0.000 0.446 146 E N -0.317 119.865 120.200 -0.029 0.000 2.152 146 E HA -0.095 4.253 4.350 -0.002 0.000 0.192 146 E C 1.792 178.386 176.600 -0.011 0.000 0.983 146 E CA 1.245 57.634 56.400 -0.017 0.000 0.818 146 E CB -0.232 29.464 29.700 -0.006 0.000 0.758 146 E HN 0.640 nan 8.360 nan 0.000 0.467 147 V N -2.585 117.325 119.914 -0.007 0.000 3.510 147 V HA 0.238 4.357 4.120 -0.002 0.000 0.270 147 V C 1.388 177.481 176.094 -0.003 0.000 1.201 147 V CA 0.804 63.103 62.300 -0.002 0.000 1.166 147 V CB -0.561 31.264 31.823 0.005 0.000 0.825 147 V HN 0.321 nan 8.190 nan 0.000 0.484 148 G N -0.430 108.364 108.800 -0.010 0.000 2.157 148 G HA2 -0.081 3.877 3.960 -0.002 0.000 0.239 148 G HA3 -0.081 3.877 3.960 -0.002 0.000 0.239 148 G C 0.353 175.253 174.900 -0.001 0.000 0.982 148 G CA 0.125 45.219 45.100 -0.010 0.000 0.650 148 G HN 1.647 nan 8.290 nan 0.000 0.527 149 A N 0.903 123.727 122.820 0.008 0.000 2.488 149 A HA 0.644 4.963 4.320 -0.002 0.000 0.249 149 A C 0.074 177.674 177.584 0.027 0.000 1.083 149 A CA -0.181 51.877 52.037 0.035 0.000 0.768 149 A CB 0.603 19.630 19.000 0.045 0.000 1.017 149 A HN 0.189 nan 8.150 nan 0.000 0.496 150 P HA 0.076 nan 4.420 nan 0.000 0.227 150 P C -0.198 177.054 177.300 -0.081 0.000 1.161 150 P CA 0.884 63.989 63.100 0.008 0.000 0.788 150 P CB 0.173 31.935 31.700 0.103 0.000 0.822 151 F N 0.479 120.413 119.950 -0.026 0.000 2.593 151 F HA 0.515 5.041 4.527 -0.002 0.000 0.320 151 F C 0.456 176.235 175.800 -0.034 0.000 1.060 151 F CA -1.266 56.707 58.000 -0.045 0.000 0.940 151 F CB 1.792 40.761 39.000 -0.052 0.000 1.268 151 F HN -0.296 nan 8.300 nan 0.000 0.475 152 I N -0.966 119.718 120.570 0.190 0.000 2.769 152 I HA 0.652 4.821 4.170 -0.002 0.000 0.298 152 I C -1.463 174.723 176.117 0.114 0.000 1.128 152 I CA -0.732 60.631 61.300 0.105 0.000 1.031 152 I CB 2.400 40.418 38.000 0.031 0.000 1.235 152 I HN 0.632 nan 8.210 nan 0.000 0.423 153 E N 5.787 126.044 120.200 0.095 0.000 2.185 153 E HA 0.519 4.868 4.350 -0.002 0.000 0.261 153 E C -1.373 175.230 176.600 0.005 0.000 0.879 153 E CA -0.765 55.701 56.400 0.110 0.000 0.756 153 E CB 1.637 31.463 29.700 0.211 0.000 1.152 153 E HN 0.706 nan 8.360 nan 0.000 0.416 154 I N 4.259 124.825 120.570 -0.007 0.000 2.396 154 I HA 0.056 4.225 4.170 -0.002 0.000 0.289 154 I C 0.586 176.657 176.117 -0.076 0.000 1.056 154 I CA -0.278 60.976 61.300 -0.075 0.000 1.365 154 I CB 0.484 38.467 38.000 -0.028 0.000 1.407 154 I HN 0.575 nan 8.210 nan 0.000 0.509 155 H N 5.762 124.582 119.070 -0.418 0.000 3.138 155 H HA 0.010 4.564 4.556 -0.002 0.000 0.275 155 H C 0.841 176.129 175.328 -0.067 0.000 0.997 155 H CA -0.320 55.499 56.048 -0.381 0.000 1.460 155 H CB 0.731 30.130 29.762 -0.605 0.000 1.524 155 H HN 0.744 nan 8.280 nan 0.000 0.532 156 T N 0.759 115.493 114.554 0.301 0.000 3.163 156 T HA 0.103 4.452 4.350 -0.002 0.000 0.252 156 T C 2.005 176.838 174.700 0.221 0.000 1.056 156 T CA 0.041 62.266 62.100 0.209 0.000 0.947 156 T CB 0.423 69.414 68.868 0.205 0.000 1.016 156 T HN 0.662 nan 8.240 nan 0.000 0.554 157 G N 1.331 110.198 108.800 0.113 0.000 2.491 157 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.218 157 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.218 157 G C 1.691 176.568 174.900 -0.039 0.000 1.180 157 G CA 1.149 46.259 45.100 0.017 0.000 0.774 157 G HN 0.627 nan 8.290 nan 0.000 0.562 158 C N -0.647 118.570 119.300 -0.138 0.000 2.429 158 C HA -0.050 4.409 4.460 -0.002 0.000 0.277 158 C C 2.447 177.447 174.990 0.015 0.000 1.262 158 C CA 0.701 59.682 59.018 -0.061 0.000 1.733 158 C CB -1.290 26.403 27.740 -0.078 0.000 2.010 158 C HN 0.575 nan 8.230 nan 0.000 0.483 159 Y N 2.466 122.741 120.300 -0.042 0.000 2.165 159 Y HA -0.170 4.378 4.550 -0.002 0.000 0.286 159 Y C 2.432 178.338 175.900 0.011 0.000 1.155 159 Y CA 1.756 59.851 58.100 -0.009 0.000 1.164 159 Y CB -0.541 37.921 38.460 0.003 0.000 0.978 159 Y HN 0.218 nan 8.280 nan 0.000 0.513 160 A N 0.506 123.295 122.820 -0.052 0.000 1.858 160 A HA -0.212 4.107 4.320 -0.002 0.000 0.216 160 A C 1.970 179.477 177.584 -0.129 0.000 1.190 160 A CA 2.013 53.977 52.037 -0.121 0.000 0.617 160 A CB -1.005 18.040 19.000 0.074 0.000 0.827 160 A HN 0.596 nan 8.150 nan 0.000 0.443 161 D N 0.430 120.796 120.400 -0.057 0.000 2.218 161 D HA 0.046 4.684 4.640 -0.002 0.000 0.204 161 D C 1.176 177.436 176.300 -0.067 0.000 0.976 161 D CA 0.998 54.971 54.000 -0.045 0.000 0.853 161 D CB -0.665 40.123 40.800 -0.019 0.000 0.939 161 D HN 0.466 nan 8.370 nan 0.000 0.481 162 A N 1.072 123.834 122.820 -0.097 0.000 2.602 162 A HA -0.185 4.133 4.320 -0.002 0.000 0.257 162 A C 1.039 178.579 177.584 -0.074 0.000 0.973 162 A CA 0.580 52.565 52.037 -0.087 0.000 0.862 162 A CB 0.165 19.089 19.000 -0.127 0.000 0.855 162 A HN 0.023 nan 8.150 nan 0.000 0.492 163 K N 0.779 121.152 120.400 -0.046 0.000 2.361 163 K HA 0.098 4.417 4.320 -0.002 0.000 0.196 163 K C 0.805 177.385 176.600 -0.033 0.000 1.039 163 K CA 1.238 57.503 56.287 -0.037 0.000 1.001 163 K CB 0.225 32.711 32.500 -0.024 0.000 0.795 163 K HN 0.882 nan 8.250 nan 0.000 0.495 164 T N -2.663 111.872 114.554 -0.032 0.000 2.907 164 T HA 0.285 4.633 4.350 -0.002 0.000 0.292 164 T C 0.076 174.761 174.700 -0.024 0.000 1.043 164 T CA -0.911 61.174 62.100 -0.024 0.000 1.003 164 T CB 1.818 70.677 68.868 -0.015 0.000 1.084 164 T HN -0.191 nan 8.240 nan 0.000 0.483 165 D N 1.393 121.783 120.400 -0.017 0.000 2.149 165 D HA -0.092 4.547 4.640 -0.002 0.000 0.194 165 D C 2.249 178.551 176.300 0.003 0.000 1.001 165 D CA 2.046 56.041 54.000 -0.008 0.000 0.849 165 D CB -0.394 40.406 40.800 0.000 0.000 0.939 165 D HN 0.761 nan 8.370 nan 0.000 0.449 166 A N 0.532 123.354 122.820 0.003 0.000 1.873 166 A HA -0.206 4.113 4.320 -0.002 0.000 0.215 166 A C 2.096 179.687 177.584 0.011 0.000 1.186 166 A CA 1.590 53.632 52.037 0.009 0.000 0.616 166 A CB -0.682 18.321 19.000 0.005 0.000 0.823 166 A HN 0.243 nan 8.150 nan 0.000 0.442 167 E N -0.659 119.542 120.200 0.002 0.000 2.209 167 E HA -0.272 4.076 4.350 -0.002 0.000 0.196 167 E C 2.118 178.725 176.600 0.011 0.000 0.993 167 E CA 1.380 57.781 56.400 0.002 0.000 0.819 167 E CB -0.068 29.626 29.700 -0.011 0.000 0.745 167 E HN 0.798 nan 8.360 nan 0.000 0.477 168 Q N -0.343 119.459 119.800 0.004 0.000 2.033 168 Q HA -0.070 4.269 4.340 -0.002 0.000 0.196 168 Q C 2.114 178.183 176.000 0.115 0.000 0.970 168 Q CA 1.082 56.893 55.803 0.013 0.000 0.828 168 Q CB -0.148 28.554 28.738 -0.060 0.000 0.895 168 Q HN 0.282 nan 8.270 nan 0.000 0.440 169 A N 0.963 123.833 122.820 0.083 0.000 1.940 169 A HA -0.290 4.028 4.320 -0.002 0.000 0.219 169 A C 1.992 179.622 177.584 0.077 0.000 1.176 169 A CA 1.839 53.929 52.037 0.089 0.000 0.631 169 A CB -0.765 18.267 19.000 0.054 0.000 0.814 169 A HN 0.642 nan 8.150 nan 0.000 0.446 170 Q N -0.725 119.110 119.800 0.059 0.000 1.990 170 Q HA -0.206 4.133 4.340 -0.002 0.000 0.200 170 Q C 1.849 177.883 176.000 0.056 0.000 0.980 170 Q CA 1.548 57.376 55.803 0.043 0.000 0.832 170 Q CB -0.233 28.521 28.738 0.027 0.000 0.897 170 Q HN 0.560 nan 8.270 nan 0.000 0.427 171 E N 0.784 121.034 120.200 0.085 0.000 2.209 171 E HA -0.189 4.159 4.350 -0.002 0.000 0.196 171 E C 2.013 178.686 176.600 0.121 0.000 0.993 171 E CA 0.696 57.161 56.400 0.109 0.000 0.819 171 E CB -0.223 29.570 29.700 0.154 0.000 0.745 171 E HN 0.461 nan 8.360 nan 0.000 0.477 172 L N 0.158 121.476 121.223 0.158 0.000 2.005 172 L HA -0.159 4.180 4.340 -0.002 0.000 0.207 172 L C 2.320 179.187 176.870 -0.006 0.000 1.072 172 L CA 1.452 56.319 54.840 0.045 0.000 0.744 172 L CB -0.424 41.701 42.059 0.111 0.000 0.895 172 L HN 0.067 nan 8.230 nan 0.000 0.433 173 A N -0.009 122.824 122.820 0.021 0.000 1.917 173 A HA -0.303 4.016 4.320 -0.002 0.000 0.219 173 A C 2.376 179.958 177.584 -0.003 0.000 1.182 173 A CA 2.043 54.084 52.037 0.006 0.000 0.633 173 A CB -0.721 18.286 19.000 0.012 0.000 0.819 173 A HN 0.499 nan 8.150 nan 0.000 0.448 174 R N -0.381 120.120 120.500 0.002 0.000 2.081 174 R HA -0.092 4.246 4.340 -0.002 0.000 0.235 174 R C 1.935 178.228 176.300 -0.012 0.000 1.131 174 R CA 1.764 57.861 56.100 -0.006 0.000 0.960 174 R CB -0.357 29.943 30.300 -0.000 0.000 0.856 174 R HN 0.594 nan 8.270 nan 0.000 0.436 175 I N 0.355 120.910 120.570 -0.025 0.000 2.233 175 I HA -0.187 3.982 4.170 -0.002 0.000 0.243 175 I C 2.585 178.681 176.117 -0.035 0.000 1.093 175 I CA 1.070 62.344 61.300 -0.043 0.000 1.380 175 I CB -0.423 37.516 38.000 -0.103 0.000 1.067 175 I HN 0.257 nan 8.210 nan 0.000 0.413 176 A N 0.871 123.667 122.820 -0.039 0.000 1.883 176 A HA -0.281 4.038 4.320 -0.002 0.000 0.217 176 A C 2.369 179.954 177.584 0.003 0.000 1.186 176 A CA 2.003 54.025 52.037 -0.024 0.000 0.624 176 A CB -0.599 18.387 19.000 -0.023 0.000 0.822 176 A HN 0.297 nan 8.150 nan 0.000 0.444 177 K N -0.578 119.826 120.400 0.006 0.000 2.044 177 K HA -0.157 4.162 4.320 -0.002 0.000 0.210 177 K C 2.228 178.864 176.600 0.060 0.000 1.049 177 K CA 1.355 57.654 56.287 0.020 0.000 0.927 177 K CB -0.336 32.162 32.500 -0.004 0.000 0.713 177 K HN 0.423 nan 8.250 nan 0.000 0.443 178 A N 0.870 123.722 122.820 0.053 0.000 1.877 178 A HA -0.142 4.177 4.320 -0.002 0.000 0.216 178 A C 2.303 179.953 177.584 0.110 0.000 1.186 178 A CA 1.970 54.071 52.037 0.106 0.000 0.620 178 A CB -0.874 18.161 19.000 0.058 0.000 0.822 178 A HN 0.463 nan 8.150 nan 0.000 0.443 179 A N -0.905 121.944 122.820 0.049 0.000 1.883 179 A HA -0.145 4.174 4.320 -0.002 0.000 0.217 179 A C 2.327 179.929 177.584 0.031 0.000 1.186 179 A CA 2.499 54.551 52.037 0.025 0.000 0.624 179 A CB -1.473 17.530 19.000 0.006 0.000 0.822 179 A HN 0.441 nan 8.150 nan 0.000 0.444 180 T N -0.765 113.819 114.554 0.051 0.000 2.684 180 T HA -0.169 4.180 4.350 -0.002 0.000 0.267 180 T C 1.628 176.384 174.700 0.093 0.000 1.036 180 T CA 1.716 63.850 62.100 0.057 0.000 1.148 180 T CB -0.413 68.492 68.868 0.062 0.000 0.863 180 T HN 0.473 nan 8.240 nan 0.000 0.436 181 F N 2.242 122.178 119.950 -0.023 0.000 2.134 181 F HA 0.054 4.580 4.527 -0.002 0.000 0.299 181 F C 2.438 178.222 175.800 -0.027 0.000 1.097 181 F CA 0.779 58.765 58.000 -0.023 0.000 1.264 181 F CB -0.923 38.064 39.000 -0.022 0.000 1.001 181 F HN 0.142 nan 8.300 nan 0.000 0.479 182 A N 0.434 123.150 122.820 -0.174 0.000 1.902 182 A HA -0.037 4.282 4.320 -0.002 0.000 0.217 182 A C 2.433 179.876 177.584 -0.234 0.000 1.181 182 A CA 1.833 53.704 52.037 -0.276 0.000 0.623 182 A CB -1.572 17.359 19.000 -0.116 0.000 0.818 182 A HN 0.496 nan 8.150 nan 0.000 0.443 183 A N 0.225 122.962 122.820 -0.139 0.000 1.972 183 A HA -0.071 4.248 4.320 -0.002 0.000 0.219 183 A C 2.435 179.942 177.584 -0.129 0.000 1.169 183 A CA 2.131 54.097 52.037 -0.117 0.000 0.635 183 A CB -0.895 18.067 19.000 -0.064 0.000 0.810 183 A HN 1.061 nan 8.150 nan 0.000 0.446 184 S N -0.975 114.643 115.700 -0.137 0.000 2.474 184 S HA -0.001 4.468 4.470 -0.002 0.000 0.235 184 S C 1.173 175.667 174.600 -0.176 0.000 0.997 184 S CA 1.165 59.296 58.200 -0.115 0.000 0.949 184 S CB -0.285 62.891 63.200 -0.040 0.000 0.766 184 S HN 0.210 nan 8.310 nan 0.000 0.517 185 L N 1.068 122.127 121.223 -0.274 0.000 2.607 185 L HA 0.475 4.813 4.340 -0.002 0.000 0.228 185 L C 1.848 178.610 176.870 -0.179 0.000 1.123 185 L CA 0.663 55.349 54.840 -0.257 0.000 0.890 185 L CB -0.529 41.305 42.059 -0.375 0.000 1.103 185 L HN 0.540 nan 8.230 nan 0.000 0.468 186 G N -0.636 108.067 108.800 -0.162 0.000 2.157 186 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.239 186 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.239 186 G C 0.302 175.096 174.900 -0.177 0.000 0.982 186 G CA -0.099 44.915 45.100 -0.143 0.000 0.650 186 G HN 0.236 nan 8.290 nan 0.000 0.527 187 L N 0.592 121.699 121.223 -0.193 0.000 2.349 187 L HA 0.433 4.772 4.340 -0.002 0.000 0.275 187 L C 0.865 177.577 176.870 -0.263 0.000 1.115 187 L CA -0.296 54.414 54.840 -0.216 0.000 0.820 187 L CB 0.933 42.886 42.059 -0.176 0.000 1.135 187 L HN 0.033 nan 8.230 nan 0.000 0.445 188 K N 2.118 122.256 120.400 -0.436 0.000 2.172 188 K HA 0.499 4.817 4.320 -0.002 0.000 0.276 188 K C -0.944 175.488 176.600 -0.281 0.000 1.013 188 K CA -0.461 55.517 56.287 -0.516 0.000 0.913 188 K CB 2.197 34.015 32.500 -1.136 0.000 1.055 188 K HN 0.309 nan 8.250 nan 0.000 0.461 189 V N 3.673 123.544 119.914 -0.072 0.000 2.540 189 V HA 0.444 4.563 4.120 -0.002 0.000 0.302 189 V C -1.173 175.007 176.094 0.143 0.000 1.035 189 V CA -0.593 61.739 62.300 0.054 0.000 0.873 189 V CB 1.528 33.358 31.823 0.011 0.000 0.992 189 V HN 0.748 nan 8.190 nan 0.000 0.428 190 N N 3.938 122.731 118.700 0.155 0.000 2.592 190 N HA 0.988 5.727 4.740 -0.002 0.000 0.292 190 N C -0.287 175.275 175.510 0.086 0.000 1.260 190 N CA 0.160 53.286 53.050 0.126 0.000 0.910 190 N CB 2.077 40.623 38.487 0.099 0.000 1.257 190 N HN 1.127 nan 8.380 nan 0.000 0.569 191 A N -2.151 120.718 122.820 0.081 0.000 2.573 191 A HA 0.730 5.049 4.320 -0.002 0.000 0.310 191 A C 0.193 177.844 177.584 0.111 0.000 1.142 191 A CA 0.218 52.312 52.037 0.096 0.000 0.620 191 A CB 0.482 19.509 19.000 0.045 0.000 1.382 191 A HN 0.935 nan 8.150 nan 0.000 0.545 192 G N -1.673 107.209 108.800 0.137 0.000 2.797 192 G HA2 -0.037 3.922 3.960 -0.002 0.000 0.195 192 G HA3 -0.037 3.922 3.960 -0.002 0.000 0.195 192 G C 0.120 175.107 174.900 0.145 0.000 1.026 192 G CA 0.410 45.572 45.100 0.104 0.000 0.759 192 G HN 1.383 nan 8.290 nan 0.000 0.475 193 H N 1.028 120.211 119.070 0.188 0.000 3.157 193 H HA 0.391 4.946 4.556 -0.002 0.000 0.299 193 H C 1.605 177.074 175.328 0.235 0.000 0.961 193 H CA 2.427 58.609 56.048 0.223 0.000 1.428 193 H CB 0.532 30.520 29.762 0.376 0.000 1.459 193 H HN 1.377 nan 8.280 nan 0.000 0.566 194 G N 3.365 112.245 108.800 0.134 0.000 2.205 194 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.261 194 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.261 194 G C 0.303 175.286 174.900 0.140 0.000 0.980 194 G CA 0.150 45.351 45.100 0.168 0.000 0.632 194 G HN 0.616 nan 8.290 nan 0.000 0.533 195 L N 1.797 123.090 121.223 0.117 0.000 2.485 195 L HA 0.482 4.821 4.340 -0.002 0.000 0.275 195 L C 1.353 178.234 176.870 0.019 0.000 1.207 195 L CA 0.862 55.760 54.840 0.097 0.000 0.855 195 L CB 0.686 42.782 42.059 0.062 0.000 1.114 195 L HN 0.507 nan 8.230 nan 0.000 0.485 196 T N -1.847 112.722 114.554 0.026 0.000 2.888 196 T HA 0.321 4.670 4.350 -0.002 0.000 0.288 196 T C 0.812 175.451 174.700 -0.101 0.000 1.063 196 T CA -0.607 61.482 62.100 -0.019 0.000 1.010 196 T CB 0.679 69.625 68.868 0.129 0.000 1.214 196 T HN 0.359 nan 8.240 nan 0.000 0.533 197 Y N -0.360 119.950 120.300 0.017 0.000 2.403 197 Y HA -0.006 4.542 4.550 -0.003 0.000 0.291 197 Y C 2.307 178.074 175.900 -0.221 0.000 1.143 197 Y CA 1.468 59.501 58.100 -0.113 0.000 1.257 197 Y CB -0.484 37.860 38.460 -0.193 0.000 0.984 197 Y HN 0.775 nan 8.280 nan 0.000 0.550 198 H N -1.461 117.702 119.070 0.155 0.000 2.575 198 H HA 0.101 4.656 4.556 -0.002 0.000 0.267 198 H C 1.178 176.557 175.328 0.084 0.000 0.966 198 H CA 0.755 56.867 56.048 0.107 0.000 1.165 198 H CB 0.099 29.911 29.762 0.084 0.000 1.433 198 H HN 0.510 nan 8.280 nan 0.000 0.544 199 N N -0.726 118.075 118.700 0.167 0.000 2.143 199 N HA -0.021 4.718 4.740 -0.002 0.000 0.222 199 N C 1.118 176.768 175.510 0.233 0.000 1.264 199 N CA 0.204 53.370 53.050 0.194 0.000 0.897 199 N CB 0.293 38.851 38.487 0.120 0.000 1.092 199 N HN 0.051 nan 8.380 nan 0.000 0.516 200 V N 1.940 121.924 119.914 0.117 0.000 2.407 200 V HA -0.195 3.923 4.120 -0.002 0.000 0.248 200 V C 2.179 178.301 176.094 0.047 0.000 1.055 200 V CA 1.827 64.164 62.300 0.062 0.000 1.049 200 V CB -0.449 31.356 31.823 -0.031 0.000 0.662 200 V HN 0.222 nan 8.190 nan 0.000 0.455 201 K N 0.259 120.691 120.400 0.053 0.000 2.009 201 K HA -0.177 4.142 4.320 -0.002 0.000 0.210 201 K C 2.331 178.949 176.600 0.029 0.000 1.049 201 K CA 1.682 57.991 56.287 0.036 0.000 0.929 201 K CB -0.612 31.913 32.500 0.042 0.000 0.714 201 K HN 0.566 nan 8.250 nan 0.000 0.440 202 A N 1.672 124.528 122.820 0.059 0.000 1.917 202 A HA -0.208 4.111 4.320 -0.002 0.000 0.219 202 A C 2.091 179.641 177.584 -0.056 0.000 1.182 202 A CA 1.557 53.611 52.037 0.029 0.000 0.633 202 A CB -0.571 18.489 19.000 0.099 0.000 0.819 202 A HN 0.146 nan 8.150 nan 0.000 0.448 203 I N -0.246 120.261 120.570 -0.104 0.000 2.163 203 I HA -0.203 3.966 4.170 -0.002 0.000 0.240 203 I C 2.941 179.013 176.117 -0.075 0.000 1.081 203 I CA 1.463 62.667 61.300 -0.160 0.000 1.353 203 I CB -1.721 36.172 38.000 -0.178 0.000 1.054 203 I HN 0.358 nan 8.210 nan 0.000 0.407 204 A N 0.827 123.623 122.820 -0.040 0.000 2.076 204 A HA -0.078 4.241 4.320 -0.002 0.000 0.220 204 A C 2.436 180.008 177.584 -0.020 0.000 1.160 204 A CA 1.642 53.663 52.037 -0.026 0.000 0.653 204 A CB -0.635 18.355 19.000 -0.018 0.000 0.801 204 A HN 0.436 nan 8.150 nan 0.000 0.455 205 A N -0.422 122.386 122.820 -0.020 0.000 2.119 205 A HA 0.190 4.509 4.320 -0.002 0.000 0.217 205 A C 0.973 178.547 177.584 -0.016 0.000 1.153 205 A CA 0.178 52.208 52.037 -0.012 0.000 0.692 205 A CB -0.450 18.547 19.000 -0.006 0.000 0.799 205 A HN 0.472 nan 8.150 nan 0.000 0.458 206 I N 0.890 121.444 120.570 -0.027 0.000 2.581 206 I HA 0.040 4.209 4.170 -0.002 0.000 0.285 206 I C -1.475 174.636 176.117 -0.010 0.000 1.129 206 I CA -1.417 59.869 61.300 -0.024 0.000 1.397 206 I CB 1.145 39.121 38.000 -0.040 0.000 1.399 206 I HN 0.088 nan 8.210 nan 0.000 0.537 207 P HA -0.189 nan 4.420 nan 0.000 0.216 207 P C 0.946 178.252 177.300 0.010 0.000 1.150 207 P CA 1.284 64.385 63.100 0.003 0.000 0.843 207 P CB 0.233 31.934 31.700 0.003 0.000 0.787 208 E N -1.711 118.494 120.200 0.009 0.000 2.347 208 E HA -0.027 4.322 4.350 -0.002 0.000 0.196 208 E C 0.594 177.216 176.600 0.037 0.000 1.008 208 E CA 0.473 56.882 56.400 0.014 0.000 0.852 208 E CB -0.624 29.077 29.700 0.002 0.000 0.783 208 E HN 0.187 nan 8.360 nan 0.000 0.505 209 M N 0.809 120.429 119.600 0.033 0.000 2.269 209 M HA -0.048 4.431 4.480 -0.002 0.000 0.350 209 M C 1.252 177.608 176.300 0.094 0.000 1.429 209 M CA 0.875 56.208 55.300 0.055 0.000 1.063 209 M CB 0.196 32.807 32.600 0.020 0.000 1.841 209 M HN 0.185 nan 8.290 nan 0.000 0.455 210 H N 1.891 120.984 119.070 0.038 0.000 2.439 210 H HA 0.270 4.825 4.556 -0.002 0.000 0.299 210 H C -0.294 175.066 175.328 0.052 0.000 1.033 210 H CA 0.761 56.849 56.048 0.067 0.000 1.348 210 H CB 1.062 30.911 29.762 0.144 0.000 1.449 210 H HN 0.757 nan 8.280 nan 0.000 0.544 211 E N 0.475 120.732 120.200 0.096 0.000 2.335 211 E HA 0.318 4.667 4.350 -0.002 0.000 0.280 211 E C -1.637 174.965 176.600 0.003 0.000 0.918 211 E CA -0.521 55.871 56.400 -0.014 0.000 0.765 211 E CB 2.076 31.764 29.700 -0.019 0.000 1.218 211 E HN 0.180 nan 8.360 nan 0.000 0.425 212 L N 3.487 124.695 121.223 -0.025 0.000 2.296 212 L HA 0.498 4.836 4.340 -0.002 0.000 0.286 212 L C -0.538 176.313 176.870 -0.032 0.000 1.023 212 L CA -1.022 53.810 54.840 -0.015 0.000 0.812 212 L CB 1.291 43.336 42.059 -0.023 0.000 1.223 212 L HN 0.405 nan 8.230 nan 0.000 0.421 213 N N 5.102 123.790 118.700 -0.019 0.000 2.469 213 N HA 0.555 5.293 4.740 -0.002 0.000 0.253 213 N C -0.793 174.683 175.510 -0.057 0.000 0.970 213 N CA -0.162 52.862 53.050 -0.045 0.000 0.940 213 N CB 1.787 40.249 38.487 -0.043 0.000 1.128 213 N HN 0.440 nan 8.380 nan 0.000 0.503 214 I N -0.041 120.478 120.570 -0.085 0.000 2.569 214 I HA 0.545 4.714 4.170 -0.002 0.000 0.296 214 I C 1.128 177.168 176.117 -0.128 0.000 1.028 214 I CA -0.638 60.596 61.300 -0.110 0.000 1.082 214 I CB 2.317 40.250 38.000 -0.112 0.000 1.264 214 I HN 0.483 nan 8.210 nan 0.000 0.429 215 G N 1.719 110.429 108.800 -0.150 0.000 2.465 215 G HA2 -0.004 3.955 3.960 -0.002 0.000 0.178 215 G HA3 -0.004 3.955 3.960 -0.002 0.000 0.178 215 G C 1.242 176.105 174.900 -0.061 0.000 1.591 215 G CA 0.155 45.164 45.100 -0.151 0.000 0.689 215 G HN 0.683 nan 8.290 nan 0.000 0.708 216 H N 1.151 120.148 119.070 -0.123 0.000 2.297 216 H HA -0.254 4.301 4.556 -0.002 0.000 0.289 216 H C 2.705 178.089 175.328 0.093 0.000 1.105 216 H CA 2.407 58.513 56.048 0.095 0.000 1.219 216 H CB -0.213 29.646 29.762 0.162 0.000 1.351 216 H HN 0.291 nan 8.280 nan 0.000 0.481 217 A N 0.935 123.784 122.820 0.048 0.000 1.917 217 A HA -0.160 4.158 4.320 -0.002 0.000 0.219 217 A C 2.793 180.414 177.584 0.063 0.000 1.182 217 A CA 1.754 53.801 52.037 0.017 0.000 0.633 217 A CB -0.776 18.208 19.000 -0.026 0.000 0.819 217 A HN 0.495 nan 8.150 nan 0.000 0.448 218 I N -0.212 120.361 120.570 0.005 0.000 2.202 218 I HA -0.199 3.969 4.170 -0.002 0.000 0.242 218 I C 2.046 178.202 176.117 0.066 0.000 1.091 218 I CA 0.832 62.183 61.300 0.085 0.000 1.368 218 I CB -0.286 37.719 38.000 0.009 0.000 1.058 218 I HN 0.219 nan 8.210 nan 0.000 0.410 219 I N 1.080 121.653 120.570 0.005 0.000 2.361 219 I HA -0.161 4.008 4.170 -0.002 0.000 0.251 219 I C 2.636 178.733 176.117 -0.033 0.000 1.133 219 I CA 1.523 62.825 61.300 0.004 0.000 1.413 219 I CB -2.107 35.918 38.000 0.042 0.000 1.073 219 I HN 0.220 nan 8.210 nan 0.000 0.424 220 G N 0.298 109.028 108.800 -0.117 0.000 2.443 220 G HA2 -0.253 3.705 3.960 -0.002 0.000 0.219 220 G HA3 -0.253 3.705 3.960 -0.002 0.000 0.219 220 G C 1.915 176.799 174.900 -0.027 0.000 1.131 220 G CA 0.516 45.537 45.100 -0.132 0.000 0.775 220 G HN 0.268 nan 8.290 nan 0.000 0.547 221 R N 0.556 121.076 120.500 0.034 0.000 2.127 221 R HA 0.311 4.650 4.340 -0.002 0.000 0.217 221 R C 2.715 179.008 176.300 -0.010 0.000 1.074 221 R CA 1.352 57.453 56.100 0.003 0.000 0.991 221 R CB -0.472 29.828 30.300 0.002 0.000 0.895 221 R HN 0.171 nan 8.270 nan 0.000 0.450 222 A N 0.487 123.317 122.820 0.016 0.000 1.883 222 A HA -0.153 4.166 4.320 -0.002 0.000 0.217 222 A C 2.175 179.762 177.584 0.004 0.000 1.186 222 A CA 1.939 53.983 52.037 0.013 0.000 0.624 222 A CB -1.096 17.919 19.000 0.025 0.000 0.822 222 A HN 0.292 nan 8.150 nan 0.000 0.444 223 V N -3.121 116.794 119.914 0.002 0.000 2.568 223 V HA -0.249 3.870 4.120 -0.002 0.000 0.253 223 V C 2.132 178.224 176.094 -0.004 0.000 1.072 223 V CA 2.095 64.397 62.300 0.003 0.000 1.084 223 V CB -0.890 30.936 31.823 0.004 0.000 0.676 223 V HN 0.431 nan 8.190 nan 0.000 0.469 224 M N -0.034 119.559 119.600 -0.012 0.000 2.325 224 M HA 0.088 4.567 4.480 -0.002 0.000 0.265 224 M C 2.179 178.465 176.300 -0.022 0.000 1.094 224 M CA 1.847 57.136 55.300 -0.018 0.000 1.161 224 M CB -0.994 31.590 32.600 -0.027 0.000 1.358 224 M HN 0.469 nan 8.290 nan 0.000 0.446 225 T N -0.476 114.060 114.554 -0.029 0.000 2.971 225 T HA 0.420 4.769 4.350 -0.002 0.000 0.252 225 T C 0.268 174.957 174.700 -0.019 0.000 1.022 225 T CA 0.804 62.884 62.100 -0.032 0.000 0.980 225 T CB 0.332 69.165 68.868 -0.060 0.000 1.044 225 T HN 0.614 nan 8.240 nan 0.000 0.501 226 G N 0.850 109.646 108.800 -0.008 0.000 2.906 226 G HA2 -0.099 3.860 3.960 -0.002 0.000 0.686 226 G HA3 -0.099 3.860 3.960 -0.002 0.000 0.686 226 G C 0.305 175.212 174.900 0.012 0.000 1.170 226 G CA -0.315 44.787 45.100 0.002 0.000 0.775 226 G HN 0.195 nan 8.290 nan 0.000 0.630 227 L N 1.333 122.569 121.223 0.022 0.000 2.012 227 L HA -0.094 4.244 4.340 -0.002 0.000 0.210 227 L C 3.058 179.948 176.870 0.033 0.000 1.073 227 L CA 2.737 57.596 54.840 0.031 0.000 0.748 227 L CB -0.319 41.762 42.059 0.035 0.000 0.891 227 L HN 0.904 nan 8.230 nan 0.000 0.431 228 K N -0.022 120.395 120.400 0.028 0.000 2.015 228 K HA -0.272 4.047 4.320 -0.002 0.000 0.216 228 K C 1.614 178.229 176.600 0.025 0.000 1.052 228 K CA 2.396 58.699 56.287 0.027 0.000 0.937 228 K CB -0.129 32.383 32.500 0.020 0.000 0.719 228 K HN 0.305 nan 8.250 nan 0.000 0.446 229 D N 0.109 120.517 120.400 0.014 0.000 2.144 229 D HA -0.117 4.522 4.640 -0.002 0.000 0.199 229 D C 1.796 178.108 176.300 0.020 0.000 0.984 229 D CA 1.316 55.319 54.000 0.006 0.000 0.834 229 D CB -0.318 40.473 40.800 -0.015 0.000 0.955 229 D HN 0.406 nan 8.370 nan 0.000 0.465 230 A N 0.532 123.370 122.820 0.031 0.000 1.883 230 A HA -0.170 4.148 4.320 -0.002 0.000 0.217 230 A C 2.506 180.190 177.584 0.167 0.000 1.186 230 A CA 1.466 53.559 52.037 0.093 0.000 0.624 230 A CB -0.804 18.257 19.000 0.101 0.000 0.822 230 A HN 0.161 nan 8.150 nan 0.000 0.444 231 V N -0.339 119.632 119.914 0.095 0.000 2.307 231 V HA -0.195 3.924 4.120 -0.002 0.000 0.245 231 V C 3.063 179.197 176.094 0.067 0.000 1.045 231 V CA 1.851 64.194 62.300 0.072 0.000 1.024 231 V CB -1.203 30.643 31.823 0.039 0.000 0.651 231 V HN 0.621 nan 8.190 nan 0.000 0.449 232 A N -0.715 122.137 122.820 0.054 0.000 1.940 232 A HA -0.228 4.090 4.320 -0.002 0.000 0.219 232 A C 2.238 179.857 177.584 0.059 0.000 1.176 232 A CA 1.752 53.813 52.037 0.041 0.000 0.631 232 A CB -0.452 18.564 19.000 0.027 0.000 0.814 232 A HN 0.484 nan 8.150 nan 0.000 0.446 233 E N -0.781 119.472 120.200 0.088 0.000 2.038 233 E HA -0.226 4.123 4.350 -0.002 0.000 0.195 233 E C 1.961 178.674 176.600 0.188 0.000 1.000 233 E CA 1.760 58.234 56.400 0.122 0.000 0.803 233 E CB -0.430 29.336 29.700 0.109 0.000 0.750 233 E HN 0.553 nan 8.360 nan 0.000 0.448 234 M N 1.166 120.915 119.600 0.249 0.000 2.080 234 M HA -0.189 4.290 4.480 -0.002 0.000 0.260 234 M C 1.999 178.311 176.300 0.020 0.000 1.068 234 M CA 1.746 57.088 55.300 0.070 0.000 1.109 234 M CB -0.364 32.185 32.600 -0.085 0.000 1.342 234 M HN -0.142 nan 8.290 nan 0.000 0.405 235 K N -0.026 120.389 120.400 0.024 0.000 2.063 235 K HA -0.179 4.139 4.320 -0.002 0.000 0.208 235 K C 2.222 178.828 176.600 0.010 0.000 1.048 235 K CA 1.915 58.206 56.287 0.006 0.000 0.928 235 K CB -0.499 32.006 32.500 0.007 0.000 0.713 235 K HN 0.478 nan 8.250 nan 0.000 0.442 236 R N -0.073 120.442 120.500 0.025 0.000 2.092 236 R HA -0.023 4.316 4.340 -0.002 0.000 0.231 236 R C 2.180 178.492 176.300 0.020 0.000 1.119 236 R CA 1.264 57.376 56.100 0.021 0.000 0.970 236 R CB -0.216 30.099 30.300 0.025 0.000 0.864 236 R HN 0.225 nan 8.270 nan 0.000 0.440 237 L N 0.154 121.395 121.223 0.030 0.000 2.056 237 L HA -0.169 4.170 4.340 -0.002 0.000 0.207 237 L C 2.607 179.481 176.870 0.008 0.000 1.078 237 L CA 1.348 56.203 54.840 0.024 0.000 0.749 237 L CB -0.300 41.780 42.059 0.035 0.000 0.901 237 L HN 0.278 nan 8.230 nan 0.000 0.433 238 M N -0.536 119.062 119.600 -0.003 0.000 2.086 238 M HA -0.226 4.253 4.480 -0.002 0.000 0.261 238 M C 2.236 178.531 176.300 -0.008 0.000 1.067 238 M CA 1.810 57.103 55.300 -0.012 0.000 1.116 238 M CB -0.339 32.247 32.600 -0.023 0.000 1.348 238 M HN 0.204 nan 8.290 nan 0.000 0.407 239 L N -0.706 120.514 121.223 -0.005 0.000 2.141 239 L HA -0.159 4.180 4.340 -0.002 0.000 0.209 239 L C 2.188 179.058 176.870 0.000 0.000 1.094 239 L CA 1.104 55.941 54.840 -0.004 0.000 0.763 239 L CB -0.755 41.302 42.059 -0.004 0.000 0.908 239 L HN 0.378 nan 8.230 nan 0.000 0.437 240 E N 0.532 120.734 120.200 0.004 0.000 2.077 240 E HA -0.216 4.133 4.350 -0.002 0.000 0.193 240 E C 2.334 178.939 176.600 0.007 0.000 0.989 240 E CA 1.232 57.636 56.400 0.007 0.000 0.800 240 E CB -0.085 29.621 29.700 0.011 0.000 0.746 240 E HN 0.470 nan 8.360 nan 0.000 0.452 241 A N 1.130 123.954 122.820 0.007 0.000 1.940 241 A HA -0.178 4.141 4.320 -0.002 0.000 0.219 241 A C 1.912 179.499 177.584 0.003 0.000 1.176 241 A CA 1.217 53.258 52.037 0.007 0.000 0.631 241 A CB -0.282 18.721 19.000 0.005 0.000 0.814 241 A HN 0.056 nan 8.150 nan 0.000 0.446 242 R N -0.198 120.302 120.500 -0.000 0.000 2.310 242 R HA 0.091 4.430 4.340 -0.002 0.000 0.202 242 R C 0.972 177.272 176.300 0.001 0.000 0.933 242 R CA 0.580 56.679 56.100 -0.001 0.000 1.054 242 R CB -0.287 30.010 30.300 -0.005 0.000 0.985 242 R HN 0.461 nan 8.270 nan 0.000 0.489 243 G N 0.000 108.802 108.800 0.003 0.000 5.446 243 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 243 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 243 G CA 0.000 45.102 45.100 0.004 0.000 0.502 243 G HN 0.000 nan 8.290 nan 0.000 0.925