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 1f0k_1_A DATA FIRST_RESID 7 DATA SEQUENCE KRLMVMAGGT GGHVFPGLAV AHHLMAQGWQ VRWLGTADRM EADLVPKHGI DATA SEQUENCE EIDFIRISGL RGKGIKALIA APLRIFNAWR QARAIMKAYK PDVVLGMGGY DATA SEQUENCE VSGPGGLAAW SLGIPVVLHE QNGIAGLTNK WLAKIATKVM QAFPGAFPNA DATA SEQUENCE EVVGNPVRTD VLALPLPQQR LAGREGPVRV LVVGGSQGAR ILNQTMPQVA DATA SEQUENCE AKLGDSVTIW HQSGKGSQQS VEQAYAEAGQ PQHKVTEFID DMAAAYAWAD DATA SEQUENCE VVVCRSGALT VSEIAAAGLP ALFVPFQHKD RQQYWNALPL EKAGAAKIIE DATA SEQUENCE QPQLSVDAVA NTLAGWSRET LLTMAERARA ASIPDATERV ANEVSRVARA DATA SEQUENCE L 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 7 K HA 0.000 nan 4.320 nan 0.000 0.191 7 K C 0.000 176.263 176.600 -0.561 0.000 0.988 7 K CA 0.000 55.774 56.287 -0.855 0.000 0.838 7 K CB 0.000 31.344 32.500 -1.926 0.000 1.064 8 R N 1.962 122.254 120.500 -0.347 0.000 2.338 8 R HA 0.549 4.985 4.340 0.160 0.000 0.317 8 R C -0.447 175.926 176.300 0.122 0.000 0.968 8 R CA -1.030 54.994 56.100 -0.126 0.000 0.849 8 R CB 1.345 31.375 30.300 -0.451 0.000 1.128 8 R HN 0.359 nan 8.270 nan 0.000 0.448 9 L N 3.297 124.752 121.223 0.387 0.000 2.362 9 L HA 0.572 5.008 4.340 0.160 0.000 0.271 9 L C -1.089 175.981 176.870 0.334 0.000 1.002 9 L CA -0.574 54.498 54.840 0.386 0.000 0.818 9 L CB 1.987 44.288 42.059 0.402 0.000 1.298 9 L HN 0.677 nan 8.230 nan 0.000 0.420 10 M N 5.089 124.808 119.600 0.199 0.000 2.181 10 M HA 0.622 5.198 4.480 0.160 0.000 0.323 10 M C -1.732 174.484 176.300 -0.140 0.000 1.004 10 M CA -0.545 54.789 55.300 0.056 0.000 0.941 10 M CB 1.540 34.198 32.600 0.096 0.000 1.579 10 M HN 0.427 nan 8.290 nan 0.000 0.427 11 V N 6.559 126.256 119.914 -0.361 0.000 2.472 11 V HA 0.477 4.693 4.120 0.160 0.000 0.290 11 V C -0.242 175.313 176.094 -0.898 0.000 1.037 11 V CA -0.420 61.481 62.300 -0.666 0.000 0.908 11 V CB 1.686 32.896 31.823 -1.021 0.000 0.985 11 V HN 0.915 nan 8.190 nan 0.000 0.454 12 M N 4.951 124.170 119.600 -0.635 0.000 2.046 12 M HA 0.764 5.340 4.480 0.160 0.000 0.309 12 M C -0.493 175.567 176.300 -0.400 0.000 0.935 12 M CA -0.281 54.734 55.300 -0.474 0.000 0.915 12 M CB 1.765 34.220 32.600 -0.242 0.000 1.474 12 M HN 0.649 nan 8.290 nan 0.000 0.415 13 A N 2.193 124.832 122.820 -0.302 0.000 2.427 13 A HA 0.865 5.281 4.320 0.160 0.000 0.298 13 A C 0.007 177.669 177.584 0.129 0.000 1.036 13 A CA -0.657 51.358 52.037 -0.037 0.000 0.701 13 A CB 1.210 20.294 19.000 0.139 0.000 1.250 13 A HN 0.873 nan 8.150 nan 0.000 0.412 14 G N 0.418 109.221 108.800 0.004 0.000 2.611 14 G HA2 0.431 4.487 3.960 0.160 0.000 0.273 14 G HA3 0.431 4.487 3.960 0.160 0.000 0.273 14 G C 0.838 175.767 174.900 0.049 0.000 1.305 14 G CA -0.001 45.089 45.100 -0.016 0.000 1.010 14 G HN 1.572 nan 8.290 nan 0.000 0.509 15 G N -0.310 108.478 108.800 -0.020 0.000 3.263 15 G HA2 0.417 4.473 3.960 0.160 0.000 0.246 15 G HA3 0.417 4.473 3.960 0.160 0.000 0.246 15 G C 0.391 175.267 174.900 -0.040 0.000 0.982 15 G CA 0.782 45.868 45.100 -0.023 0.000 1.897 15 G HN 1.036 nan 8.290 nan 0.000 0.624 16 T N -4.143 110.365 114.554 -0.078 0.000 2.982 16 T HA 0.485 4.931 4.350 0.160 0.000 0.321 16 T C 1.167 175.682 174.700 -0.309 0.000 1.229 16 T CA 0.176 62.173 62.100 -0.173 0.000 1.044 16 T CB 1.548 70.290 68.868 -0.211 0.000 1.184 16 T HN 0.185 nan 8.240 nan 0.000 0.477 17 G N 0.868 109.410 108.800 -0.430 0.000 2.448 17 G HA2 0.093 4.149 3.960 0.160 0.000 0.219 17 G HA3 0.093 4.149 3.960 0.160 0.000 0.219 17 G C 1.472 176.090 174.900 -0.470 0.000 1.127 17 G CA 0.785 45.302 45.100 -0.971 0.000 0.766 17 G HN 1.230 nan 8.290 nan 0.000 0.552 18 G N 0.075 108.731 108.800 -0.240 0.000 2.469 18 G HA2 -0.249 3.807 3.960 0.160 0.000 0.219 18 G HA3 -0.249 3.807 3.960 0.160 0.000 0.219 18 G C 1.635 176.459 174.900 -0.127 0.000 1.150 18 G CA 1.253 46.253 45.100 -0.168 0.000 0.763 18 G HN 0.526 nan 8.290 nan 0.000 0.561 19 H N -0.624 118.425 119.070 -0.034 0.000 2.418 19 H HA 0.150 4.807 4.556 0.168 0.000 0.300 19 H C 2.869 178.224 175.328 0.045 0.000 1.041 19 H CA 0.818 56.874 56.048 0.013 0.000 1.364 19 H CB -0.481 29.280 29.762 -0.002 0.000 1.439 19 H HN 0.205 nan 8.280 nan 0.000 0.540 20 V N 1.355 121.309 119.914 0.067 0.000 2.307 20 V HA -0.220 3.996 4.120 0.160 0.000 0.245 20 V C 2.299 178.435 176.094 0.070 0.000 1.045 20 V CA 1.531 63.870 62.300 0.066 0.000 1.024 20 V CB -0.759 30.914 31.823 -0.251 0.000 0.651 20 V HN 0.115 nan 8.190 nan 0.000 0.449 21 F N 0.252 120.244 119.950 0.070 0.000 2.095 21 F HA -0.067 4.551 4.527 0.151 0.000 0.298 21 F C 0.197 176.040 175.800 0.072 0.000 1.104 21 F CA 1.304 59.330 58.000 0.043 0.000 1.232 21 F CB -2.610 36.409 39.000 0.032 0.000 0.987 21 F HN 0.300 nan 8.300 nan 0.000 0.475 22 P HA -0.053 nan 4.420 nan 0.000 0.217 22 P C 1.886 179.246 177.300 0.100 0.000 1.150 22 P CA 1.861 65.040 63.100 0.131 0.000 0.832 22 P CB -0.348 31.412 31.700 0.098 0.000 0.787 23 G N -0.100 108.807 108.800 0.177 0.000 2.422 23 G HA2 -0.211 3.845 3.960 0.160 0.000 0.218 23 G HA3 -0.211 3.845 3.960 0.160 0.000 0.218 23 G C 1.481 176.545 174.900 0.273 0.000 1.146 23 G CA 0.459 45.662 45.100 0.172 0.000 0.769 23 G HN 0.224 nan 8.290 nan 0.000 0.547 24 L N 0.553 121.967 121.223 0.319 0.000 2.141 24 L HA -0.012 4.424 4.340 0.160 0.000 0.209 24 L C 3.378 180.349 176.870 0.168 0.000 1.094 24 L CA 0.824 55.758 54.840 0.157 0.000 0.763 24 L CB -0.315 41.734 42.059 -0.017 0.000 0.908 24 L HN 0.311 nan 8.230 nan 0.000 0.437 25 A N -0.272 122.658 122.820 0.183 0.000 1.877 25 A HA -0.146 4.270 4.320 0.160 0.000 0.216 25 A C 2.292 179.941 177.584 0.108 0.000 1.186 25 A CA 1.771 53.908 52.037 0.166 0.000 0.620 25 A CB -0.773 18.279 19.000 0.086 0.000 0.822 25 A HN 0.188 nan 8.150 nan 0.000 0.443 26 V N -0.142 119.783 119.914 0.017 0.000 2.427 26 V HA -0.199 4.017 4.120 0.160 0.000 0.248 26 V C 3.003 179.089 176.094 -0.013 0.000 1.051 26 V CA 1.730 63.998 62.300 -0.054 0.000 1.048 26 V CB -1.271 30.469 31.823 -0.139 0.000 0.666 26 V HN 0.620 nan 8.190 nan 0.000 0.456 27 A N -0.639 122.187 122.820 0.010 0.000 1.845 27 A HA -0.257 4.159 4.320 0.160 0.000 0.215 27 A C 2.159 179.758 177.584 0.025 0.000 1.195 27 A CA 1.923 53.958 52.037 -0.002 0.000 0.616 27 A CB -0.882 18.130 19.000 0.021 0.000 0.832 27 A HN 0.611 nan 8.150 nan 0.000 0.443 28 H N -1.448 117.702 119.070 0.133 0.000 2.352 28 H HA -0.191 4.460 4.556 0.158 0.000 0.299 28 H C 2.049 177.432 175.328 0.091 0.000 1.097 28 H CA 2.075 58.194 56.048 0.119 0.000 1.311 28 H CB -0.693 29.148 29.762 0.132 0.000 1.377 28 H HN 0.825 nan 8.280 nan 0.000 0.504 29 H N 0.422 119.560 119.070 0.112 0.000 2.352 29 H HA -0.066 4.586 4.556 0.161 0.000 0.299 29 H C 2.348 177.653 175.328 -0.038 0.000 1.097 29 H CA 1.544 57.604 56.048 0.020 0.000 1.311 29 H CB -0.150 29.592 29.762 -0.033 0.000 1.377 29 H HN 0.162 nan 8.280 nan 0.000 0.504 30 L N -0.786 120.431 121.223 -0.010 0.000 2.209 30 L HA -0.070 4.366 4.340 0.160 0.000 0.207 30 L C 2.424 179.328 176.870 0.057 0.000 1.094 30 L CA 0.664 55.388 54.840 -0.193 0.000 0.790 30 L CB -0.231 41.482 42.059 -0.576 0.000 0.932 30 L HN 0.368 nan 8.230 nan 0.000 0.447 31 M N -0.214 119.457 119.600 0.118 0.000 2.213 31 M HA -0.143 4.433 4.480 0.160 0.000 0.263 31 M C 2.198 178.580 176.300 0.136 0.000 1.062 31 M CA 1.645 57.051 55.300 0.177 0.000 1.105 31 M CB -0.424 32.278 32.600 0.169 0.000 1.385 31 M HN 0.274 nan 8.290 nan 0.000 0.417 32 A N -0.321 122.547 122.820 0.080 0.000 2.239 32 A HA -0.077 4.339 4.320 0.160 0.000 0.209 32 A C 1.381 178.979 177.584 0.024 0.000 1.171 32 A CA 0.839 52.896 52.037 0.034 0.000 0.768 32 A CB -0.363 18.625 19.000 -0.021 0.000 0.790 32 A HN 0.602 nan 8.150 nan 0.000 0.478 33 Q N -1.813 118.034 119.800 0.079 0.000 2.110 33 Q HA 0.350 4.786 4.340 0.160 0.000 0.232 33 Q C 0.859 176.993 176.000 0.223 0.000 0.810 33 Q CA 0.227 56.103 55.803 0.121 0.000 1.083 33 Q CB 0.749 29.549 28.738 0.103 0.000 1.193 33 Q HN 0.734 nan 8.270 nan 0.000 0.471 34 G N 0.223 109.134 108.800 0.185 0.000 2.217 34 G HA2 -0.238 3.818 3.960 0.160 0.000 0.246 34 G HA3 -0.238 3.818 3.960 0.160 0.000 0.246 34 G C -0.343 174.659 174.900 0.169 0.000 0.990 34 G CA -0.481 44.704 45.100 0.141 0.000 0.627 34 G HN 0.289 nan 8.290 nan 0.000 0.522 35 W N 1.811 123.127 121.300 0.026 0.000 2.190 35 W HA 0.599 5.357 4.660 0.163 0.000 0.330 35 W C 0.932 177.485 176.519 0.056 0.000 1.299 35 W CA -0.010 57.357 57.345 0.036 0.000 1.215 35 W CB 0.476 29.961 29.460 0.042 0.000 1.147 35 W HN 0.152 nan 8.180 nan 0.000 0.563 36 Q N 1.579 121.534 119.800 0.258 0.000 2.257 36 Q HA 0.514 4.950 4.340 0.160 0.000 0.255 36 Q C -0.914 175.294 176.000 0.347 0.000 0.920 36 Q CA -0.606 55.340 55.803 0.239 0.000 0.927 36 Q CB 1.824 30.660 28.738 0.163 0.000 1.229 36 Q HN 0.212 nan 8.270 nan 0.000 0.433 37 V N 2.679 122.767 119.914 0.291 0.000 2.735 37 V HA 0.605 4.821 4.120 0.160 0.000 0.310 37 V C -0.621 175.546 176.094 0.121 0.000 1.061 37 V CA -0.862 61.587 62.300 0.249 0.000 0.913 37 V CB 2.148 34.074 31.823 0.172 0.000 1.005 37 V HN 0.666 nan 8.190 nan 0.000 0.428 38 R N 2.133 122.627 120.500 -0.010 0.000 2.795 38 R HA 0.511 4.947 4.340 0.160 0.000 0.275 38 R C -1.795 174.450 176.300 -0.092 0.000 0.981 38 R CA -0.451 55.495 56.100 -0.257 0.000 0.917 38 R CB 1.799 31.475 30.300 -1.041 0.000 1.202 38 R HN 0.773 nan 8.270 nan 0.000 0.469 39 W N 5.311 126.460 121.300 -0.251 0.000 2.578 39 W HA 0.543 5.297 4.660 0.157 0.000 0.346 39 W C -1.575 174.815 176.519 -0.215 0.000 1.075 39 W CA -0.965 56.263 57.345 -0.195 0.000 1.233 39 W CB 1.762 31.114 29.460 -0.181 0.000 1.358 39 W HN 0.420 nan 8.180 nan 0.000 0.574 40 L N 4.047 125.184 121.223 -0.143 0.000 2.372 40 L HA 0.755 5.191 4.340 0.160 0.000 0.274 40 L C -0.169 176.765 176.870 0.106 0.000 0.988 40 L CA 0.099 54.909 54.840 -0.049 0.000 0.833 40 L CB 1.215 43.207 42.059 -0.113 0.000 1.236 40 L HN 0.510 nan 8.230 nan 0.000 0.410 41 G N 1.944 110.874 108.800 0.217 0.000 2.753 41 G HA2 0.546 4.602 3.960 0.160 0.000 0.303 41 G HA3 0.546 4.602 3.960 0.160 0.000 0.303 41 G C -1.450 173.679 174.900 0.382 0.000 1.242 41 G CA -0.423 44.853 45.100 0.294 0.000 0.810 41 G HN 0.389 nan 8.290 nan 0.000 0.515 42 T N 0.656 115.399 114.554 0.315 0.000 2.807 42 T HA 0.535 4.981 4.350 0.160 0.000 0.279 42 T C 1.266 175.927 174.700 -0.065 0.000 0.993 42 T CA 0.475 62.692 62.100 0.196 0.000 0.970 42 T CB 1.619 70.537 68.868 0.082 0.000 0.950 42 T HN 1.012 nan 8.240 nan 0.000 0.441 43 A N 2.132 124.609 122.820 -0.572 0.000 2.131 43 A HA -0.113 4.303 4.320 0.160 0.000 0.220 43 A C 1.685 179.004 177.584 -0.441 0.000 1.158 43 A CA 1.955 53.341 52.037 -1.085 0.000 0.665 43 A CB -0.590 17.805 19.000 -1.008 0.000 0.795 43 A HN 0.932 nan 8.150 nan 0.000 0.460 44 D N -2.064 118.210 120.400 -0.211 0.000 2.367 44 D HA 0.059 4.795 4.640 0.160 0.000 0.207 44 D C 1.001 177.267 176.300 -0.056 0.000 1.034 44 D CA -0.189 53.748 54.000 -0.105 0.000 0.861 44 D CB 0.123 40.895 40.800 -0.046 0.000 0.943 44 D HN 0.070 nan 8.370 nan 0.000 0.515 45 R N 0.509 120.983 120.500 -0.043 0.000 2.546 45 R HA 0.310 4.746 4.340 0.160 0.000 0.266 45 R C 1.381 177.662 176.300 -0.032 0.000 1.086 45 R CA -0.394 55.694 56.100 -0.020 0.000 1.160 45 R CB 0.381 30.677 30.300 -0.008 0.000 1.138 45 R HN 0.220 nan 8.270 nan 0.000 0.567 46 M N 0.261 119.835 119.600 -0.043 0.000 2.346 46 M HA -0.134 4.442 4.480 0.160 0.000 0.263 46 M C 1.430 177.674 176.300 -0.092 0.000 1.064 46 M CA 1.704 56.965 55.300 -0.064 0.000 1.083 46 M CB -0.512 32.038 32.600 -0.084 0.000 1.399 46 M HN 0.573 nan 8.290 nan 0.000 0.435 47 E N 1.282 121.426 120.200 -0.094 0.000 2.204 47 E HA -0.107 4.339 4.350 0.160 0.000 0.194 47 E C 1.942 178.479 176.600 -0.104 0.000 0.989 47 E CA 1.439 57.728 56.400 -0.184 0.000 0.824 47 E CB -0.697 28.922 29.700 -0.136 0.000 0.756 47 E HN 0.667 nan 8.360 nan 0.000 0.477 48 A N 1.658 124.513 122.820 0.058 0.000 2.019 48 A HA -0.177 4.239 4.320 0.160 0.000 0.219 48 A C 1.731 179.370 177.584 0.091 0.000 1.164 48 A CA 1.762 53.922 52.037 0.205 0.000 0.644 48 A CB -0.169 18.838 19.000 0.011 0.000 0.805 48 A HN 0.202 nan 8.150 nan 0.000 0.449 49 D N -1.254 119.147 120.400 0.002 0.000 2.394 49 D HA 0.030 4.766 4.640 0.160 0.000 0.226 49 D C 1.817 178.104 176.300 -0.021 0.000 0.990 49 D CA 0.510 54.508 54.000 -0.002 0.000 0.902 49 D CB -0.104 40.693 40.800 -0.006 0.000 1.038 49 D HN 0.345 nan 8.370 nan 0.000 0.499 50 L N 1.346 122.528 121.223 -0.069 0.000 2.044 50 L HA -0.088 4.348 4.340 0.160 0.000 0.205 50 L C 2.228 179.022 176.870 -0.127 0.000 1.075 50 L CA 1.326 56.123 54.840 -0.071 0.000 0.747 50 L CB -0.513 41.469 42.059 -0.128 0.000 0.903 50 L HN -0.197 nan 8.230 nan 0.000 0.435 51 V N 0.535 120.252 119.914 -0.328 0.000 2.332 51 V HA -0.191 4.025 4.120 0.160 0.000 0.248 51 V C -0.200 175.809 176.094 -0.143 0.000 1.055 51 V CA 2.211 64.255 62.300 -0.427 0.000 1.038 51 V CB -1.828 29.560 31.823 -0.724 0.000 0.651 51 V HN 0.366 nan 8.190 nan 0.000 0.450 52 P HA -0.106 nan 4.420 nan 0.000 0.222 52 P C 1.403 178.726 177.300 0.038 0.000 1.147 52 P CA 1.163 64.257 63.100 -0.009 0.000 0.790 52 P CB -0.070 31.634 31.700 0.007 0.000 0.780 53 K N -1.578 118.863 120.400 0.068 0.000 2.486 53 K HA -0.049 4.367 4.320 0.160 0.000 0.194 53 K C 1.129 177.793 176.600 0.107 0.000 1.033 53 K CA 0.642 56.980 56.287 0.085 0.000 1.004 53 K CB -0.218 32.340 32.500 0.096 0.000 0.798 53 K HN 0.435 nan 8.250 nan 0.000 0.495 54 H N -0.792 118.282 119.070 0.007 0.000 2.542 54 H HA 0.089 4.740 4.556 0.158 0.000 0.283 54 H C 0.808 176.190 175.328 0.090 0.000 1.059 54 H CA 0.310 56.409 56.048 0.086 0.000 1.162 54 H CB 0.991 30.810 29.762 0.095 0.000 1.539 54 H HN 0.397 nan 8.280 nan 0.000 0.543 55 G N 1.841 110.717 108.800 0.127 0.000 2.155 55 G HA2 -0.285 3.771 3.960 0.160 0.000 0.257 55 G HA3 -0.285 3.771 3.960 0.160 0.000 0.257 55 G C 0.177 175.119 174.900 0.069 0.000 0.983 55 G CA 0.248 45.399 45.100 0.086 0.000 0.676 55 G HN 0.339 nan 8.290 nan 0.000 0.528 56 I N 0.889 121.489 120.570 0.049 0.000 2.359 56 I HA 0.333 4.599 4.170 0.160 0.000 0.294 56 I C 0.387 176.491 176.117 -0.022 0.000 0.987 56 I CA -1.054 60.258 61.300 0.019 0.000 1.225 56 I CB 1.208 39.216 38.000 0.013 0.000 1.366 56 I HN -0.044 nan 8.210 nan 0.000 0.466 57 E N 5.744 125.925 120.200 -0.032 0.000 2.390 57 E HA 0.371 4.817 4.350 0.160 0.000 0.261 57 E C -0.626 175.900 176.600 -0.122 0.000 1.076 57 E CA -0.121 56.230 56.400 -0.081 0.000 0.905 57 E CB 2.139 31.782 29.700 -0.095 0.000 0.984 57 E HN 0.476 nan 8.360 nan 0.000 0.427 58 I N 1.403 121.842 120.570 -0.218 0.000 2.571 58 I HA 0.182 4.448 4.170 0.160 0.000 0.289 58 I C -1.281 174.467 176.117 -0.614 0.000 1.115 58 I CA -0.583 60.514 61.300 -0.337 0.000 1.045 58 I CB 1.580 39.353 38.000 -0.379 0.000 1.238 58 I HN 0.199 nan 8.210 nan 0.000 0.424 59 D N 7.319 127.439 120.400 -0.467 0.000 2.175 59 D HA 0.413 5.149 4.640 0.160 0.000 0.248 59 D C -1.065 174.977 176.300 -0.430 0.000 1.047 59 D CA 0.278 54.035 54.000 -0.404 0.000 0.883 59 D CB 1.743 42.430 40.800 -0.188 0.000 1.180 59 D HN 0.239 nan 8.370 nan 0.000 0.438 60 F N 0.738 120.709 119.950 0.034 0.000 2.507 60 F HA 0.487 5.109 4.527 0.158 0.000 0.327 60 F C 0.602 176.429 175.800 0.045 0.000 1.068 60 F CA -1.021 57.005 58.000 0.043 0.000 0.965 60 F CB 1.690 40.712 39.000 0.037 0.000 1.192 60 F HN -0.017 nan 8.300 nan 0.000 0.476 61 I N 2.408 123.144 120.570 0.275 0.000 2.378 61 I HA 0.357 4.623 4.170 0.160 0.000 0.291 61 I C -0.301 175.923 176.117 0.179 0.000 0.992 61 I CA -0.729 60.681 61.300 0.185 0.000 1.154 61 I CB 1.788 39.888 38.000 0.166 0.000 1.315 61 I HN 0.539 nan 8.210 nan 0.000 0.448 62 R N 8.128 128.709 120.500 0.135 0.000 2.215 62 R HA 0.575 5.011 4.340 0.160 0.000 0.337 62 R C -1.412 174.948 176.300 0.100 0.000 1.010 62 R CA -0.337 55.824 56.100 0.103 0.000 0.871 62 R CB 0.501 30.844 30.300 0.073 0.000 1.134 62 R HN 0.631 nan 8.270 nan 0.000 0.477 63 I N 4.680 125.319 120.570 0.113 0.000 2.466 63 I HA 0.170 4.436 4.170 0.160 0.000 0.279 63 I C -0.101 176.052 176.117 0.061 0.000 1.033 63 I CA -0.714 60.644 61.300 0.096 0.000 1.123 63 I CB 1.778 39.853 38.000 0.126 0.000 1.237 63 I HN 0.635 nan 8.210 nan 0.000 0.460 64 S N 3.366 119.092 115.700 0.044 0.000 2.654 64 S HA 0.735 5.301 4.470 0.160 0.000 0.283 64 S C 0.902 175.512 174.600 0.016 0.000 1.180 64 S CA 0.100 58.316 58.200 0.028 0.000 1.021 64 S CB 1.708 64.924 63.200 0.026 0.000 1.018 64 S HN 1.133 nan 8.310 nan 0.000 0.532 65 G N 0.484 109.289 108.800 0.008 0.000 2.225 65 G HA2 -0.160 3.896 3.960 0.160 0.000 0.264 65 G HA3 -0.160 3.896 3.960 0.160 0.000 0.264 65 G C 0.258 175.151 174.900 -0.013 0.000 1.060 65 G CA 0.205 45.307 45.100 0.003 0.000 0.833 65 G HN 0.605 nan 8.290 nan 0.000 0.498 66 L N -1.278 119.925 121.223 -0.033 0.000 2.354 66 L HA 0.258 4.694 4.340 0.160 0.000 0.212 66 L C 2.086 178.926 176.870 -0.049 0.000 1.091 66 L CA 1.700 56.498 54.840 -0.070 0.000 0.828 66 L CB -0.775 41.185 42.059 -0.165 0.000 0.973 66 L HN 0.573 nan 8.230 nan 0.000 0.461 67 R N -0.523 119.963 120.500 -0.024 0.000 4.000 67 R HA -0.244 4.192 4.340 0.160 0.000 0.362 67 R C 1.146 177.445 176.300 -0.002 0.000 1.183 67 R CA 0.526 56.622 56.100 -0.006 0.000 1.011 67 R CB -1.916 28.383 30.300 -0.002 0.000 1.501 67 R HN 0.529 nan 8.270 nan 0.000 0.553 68 G N -1.004 107.787 108.800 -0.015 0.000 2.195 68 G HA2 -0.347 3.709 3.960 0.160 0.000 0.246 68 G HA3 -0.347 3.709 3.960 0.160 0.000 0.246 68 G C 0.924 175.822 174.900 -0.004 0.000 0.984 68 G CA 0.453 45.558 45.100 0.007 0.000 0.633 68 G HN 0.184 nan 8.290 nan 0.000 0.525 69 K N 0.630 121.012 120.400 -0.030 0.000 2.009 69 K HA 0.239 4.655 4.320 0.160 0.000 0.210 69 K C 1.930 178.501 176.600 -0.049 0.000 1.049 69 K CA 2.180 58.453 56.287 -0.023 0.000 0.929 69 K CB -0.753 31.733 32.500 -0.023 0.000 0.714 69 K HN 1.726 nan 8.250 nan 0.000 0.440 70 G N 0.079 108.790 108.800 -0.148 0.000 2.384 70 G HA2 -0.249 3.807 3.960 0.160 0.000 0.200 70 G HA3 -0.249 3.807 3.960 0.160 0.000 0.200 70 G C 0.540 175.325 174.900 -0.190 0.000 1.205 70 G CA -0.094 44.875 45.100 -0.217 0.000 1.116 70 G HN 0.147 nan 8.290 nan 0.000 0.547 71 I N 1.896 122.435 120.570 -0.052 0.000 2.361 71 I HA -0.014 4.252 4.170 0.160 0.000 0.251 71 I C 2.829 179.011 176.117 0.108 0.000 1.133 71 I CA 2.613 63.936 61.300 0.038 0.000 1.413 71 I CB -0.261 37.762 38.000 0.038 0.000 1.073 71 I HN 0.631 nan 8.210 nan 0.000 0.424 72 K N 1.355 121.788 120.400 0.054 0.000 2.097 72 K HA -0.013 4.403 4.320 0.160 0.000 0.205 72 K C 1.870 178.549 176.600 0.132 0.000 1.050 72 K CA 1.705 58.095 56.287 0.171 0.000 0.938 72 K CB -1.443 31.112 32.500 0.092 0.000 0.718 72 K HN 0.330 nan 8.250 nan 0.000 0.442 73 A N 2.525 125.375 122.820 0.049 0.000 1.874 73 A HA -0.000 4.416 4.320 0.160 0.000 0.214 73 A C 2.259 179.863 177.584 0.032 0.000 1.189 73 A CA 1.013 53.065 52.037 0.026 0.000 0.615 73 A CB -0.562 18.426 19.000 -0.019 0.000 0.830 73 A HN 0.275 nan 8.150 nan 0.000 0.443 74 L N -0.239 120.993 121.223 0.015 0.000 2.042 74 L HA -0.160 4.276 4.340 0.160 0.000 0.210 74 L C 2.235 179.156 176.870 0.086 0.000 1.076 74 L CA 2.383 57.245 54.840 0.037 0.000 0.749 74 L CB -0.842 41.231 42.059 0.025 0.000 0.893 74 L HN 0.393 nan 8.230 nan 0.000 0.432 75 I N 0.577 121.221 120.570 0.123 0.000 2.756 75 I HA -0.093 4.173 4.170 0.160 0.000 0.262 75 I C 2.133 178.288 176.117 0.062 0.000 1.225 75 I CA 1.246 62.611 61.300 0.108 0.000 1.472 75 I CB -0.410 37.684 38.000 0.156 0.000 1.094 75 I HN 0.261 nan 8.210 nan 0.000 0.454 76 A N 0.074 122.934 122.820 0.067 0.000 2.307 76 A HA 0.685 5.101 4.320 0.160 0.000 0.218 76 A C 1.174 178.782 177.584 0.040 0.000 1.228 76 A CA 0.372 52.436 52.037 0.044 0.000 0.857 76 A CB -0.650 18.379 19.000 0.048 0.000 0.897 76 A HN 0.346 nan 8.150 nan 0.000 0.495 77 A N 0.419 123.270 122.820 0.052 0.000 2.536 77 A HA 0.637 5.053 4.320 0.160 0.000 0.329 77 A C -1.632 176.000 177.584 0.078 0.000 1.321 77 A CA -1.374 50.697 52.037 0.056 0.000 0.804 77 A CB 0.661 19.694 19.000 0.054 0.000 1.126 77 A HN 0.092 nan 8.150 nan 0.000 0.480 78 P HA -0.256 nan 4.420 nan 0.000 0.216 78 P C 1.524 178.912 177.300 0.147 0.000 1.167 78 P CA 1.342 64.490 63.100 0.080 0.000 0.914 78 P CB 0.108 31.830 31.700 0.036 0.000 0.793 79 L N -1.630 119.676 121.223 0.138 0.000 2.083 79 L HA -0.147 4.289 4.340 0.160 0.000 0.209 79 L C 2.716 179.716 176.870 0.216 0.000 1.083 79 L CA 1.465 56.426 54.840 0.201 0.000 0.752 79 L CB -0.627 41.516 42.059 0.140 0.000 0.899 79 L HN -0.064 nan 8.230 nan 0.000 0.433 80 R N -0.254 120.339 120.500 0.155 0.000 2.075 80 R HA -0.153 4.283 4.340 0.160 0.000 0.232 80 R C 2.248 178.653 176.300 0.175 0.000 1.126 80 R CA 1.342 57.524 56.100 0.136 0.000 0.963 80 R CB -0.430 29.926 30.300 0.092 0.000 0.858 80 R HN 0.216 nan 8.270 nan 0.000 0.435 81 I N 0.514 121.204 120.570 0.200 0.000 2.315 81 I HA -0.224 4.042 4.170 0.160 0.000 0.248 81 I C 1.867 178.214 176.117 0.384 0.000 1.117 81 I CA 1.136 62.579 61.300 0.238 0.000 1.404 81 I CB -0.403 37.708 38.000 0.185 0.000 1.071 81 I HN -0.008 nan 8.210 nan 0.000 0.419 82 F N 1.767 121.856 119.950 0.232 0.000 2.102 82 F HA -0.249 4.374 4.527 0.160 0.000 0.298 82 F C 2.437 178.360 175.800 0.205 0.000 1.105 82 F CA 2.136 60.315 58.000 0.298 0.000 1.239 82 F CB -1.011 38.105 39.000 0.192 0.000 0.991 82 F HN 0.296 nan 8.300 nan 0.000 0.474 83 N N 0.676 119.437 118.700 0.103 0.000 2.142 83 N HA -0.159 4.677 4.740 0.160 0.000 0.186 83 N C 1.911 177.429 175.510 0.014 0.000 1.023 83 N CA 1.386 54.404 53.050 -0.054 0.000 0.852 83 N CB -0.244 38.258 38.487 0.025 0.000 0.998 83 N HN 0.372 nan 8.380 nan 0.000 0.424 84 A N 0.248 123.144 122.820 0.127 0.000 1.898 84 A HA -0.150 4.266 4.320 0.160 0.000 0.216 84 A C 2.006 179.718 177.584 0.213 0.000 1.181 84 A CA 1.202 53.334 52.037 0.158 0.000 0.620 84 A CB -1.231 17.882 19.000 0.188 0.000 0.819 84 A HN 0.650 nan 8.150 nan 0.000 0.442 85 W N 1.044 122.369 121.300 0.040 0.000 2.358 85 W HA -0.114 4.642 4.660 0.160 0.000 0.303 85 W C 2.176 178.684 176.519 -0.020 0.000 1.208 85 W CA 1.622 58.994 57.345 0.046 0.000 1.274 85 W CB -0.485 29.038 29.460 0.105 0.000 1.138 85 W HN 0.264 nan 8.180 nan 0.000 0.515 86 R N -0.123 120.243 120.500 -0.224 0.000 2.115 86 R HA -0.135 4.301 4.340 0.160 0.000 0.230 86 R C 2.327 178.515 176.300 -0.186 0.000 1.111 86 R CA 1.655 57.507 56.100 -0.413 0.000 0.976 86 R CB -0.512 29.432 30.300 -0.594 0.000 0.870 86 R HN 0.367 nan 8.270 nan 0.000 0.445 87 Q N -0.033 119.720 119.800 -0.079 0.000 2.084 87 Q HA -0.112 4.324 4.340 0.160 0.000 0.202 87 Q C 2.169 178.178 176.000 0.014 0.000 0.978 87 Q CA 1.606 57.398 55.803 -0.019 0.000 0.844 87 Q CB -0.082 28.674 28.738 0.030 0.000 0.898 87 Q HN 0.347 nan 8.270 nan 0.000 0.426 88 A N 0.998 123.854 122.820 0.061 0.000 1.930 88 A HA -0.168 4.248 4.320 0.160 0.000 0.217 88 A C 1.970 179.596 177.584 0.069 0.000 1.175 88 A CA 1.121 53.213 52.037 0.091 0.000 0.627 88 A CB -0.316 18.781 19.000 0.162 0.000 0.815 88 A HN 0.190 nan 8.150 nan 0.000 0.443 89 R N -0.539 119.976 120.500 0.026 0.000 2.081 89 R HA -0.074 4.362 4.340 0.160 0.000 0.235 89 R C 2.478 178.763 176.300 -0.025 0.000 1.131 89 R CA 1.192 57.284 56.100 -0.013 0.000 0.960 89 R CB -0.429 29.784 30.300 -0.146 0.000 0.856 89 R HN 0.511 nan 8.270 nan 0.000 0.436 90 A N 1.069 123.860 122.820 -0.047 0.000 1.902 90 A HA -0.152 4.264 4.320 0.160 0.000 0.217 90 A C 2.121 179.707 177.584 0.004 0.000 1.181 90 A CA 1.240 53.257 52.037 -0.034 0.000 0.623 90 A CB -0.464 18.509 19.000 -0.045 0.000 0.818 90 A HN 0.199 nan 8.150 nan 0.000 0.443 91 I N -0.829 119.752 120.570 0.018 0.000 2.226 91 I HA -0.283 3.983 4.170 0.160 0.000 0.245 91 I C 2.622 178.786 176.117 0.079 0.000 1.100 91 I CA 1.515 62.837 61.300 0.036 0.000 1.374 91 I CB -0.218 37.797 38.000 0.024 0.000 1.057 91 I HN 0.348 nan 8.210 nan 0.000 0.413 92 M N -0.364 119.284 119.600 0.079 0.000 2.349 92 M HA -0.118 4.458 4.480 0.160 0.000 0.266 92 M C 2.100 178.442 176.300 0.070 0.000 1.076 92 M CA 1.290 56.654 55.300 0.106 0.000 1.126 92 M CB -0.209 32.448 32.600 0.096 0.000 1.392 92 M HN 0.059 nan 8.290 nan 0.000 0.440 93 K N 0.453 120.876 120.400 0.038 0.000 2.148 93 K HA -0.027 4.389 4.320 0.160 0.000 0.204 93 K C 2.053 178.665 176.600 0.020 0.000 1.050 93 K CA 1.290 57.584 56.287 0.013 0.000 0.942 93 K CB -0.038 32.457 32.500 -0.009 0.000 0.724 93 K HN 0.270 nan 8.250 nan 0.000 0.446 94 A N 0.134 122.981 122.820 0.046 0.000 1.903 94 A HA -0.126 4.290 4.320 0.160 0.000 0.213 94 A C 1.938 179.586 177.584 0.106 0.000 1.185 94 A CA 0.843 52.915 52.037 0.058 0.000 0.628 94 A CB -0.476 18.557 19.000 0.056 0.000 0.830 94 A HN 0.346 nan 8.150 nan 0.000 0.446 95 Y N 0.111 120.405 120.300 -0.010 0.000 2.365 95 Y HA 0.100 4.747 4.550 0.160 0.000 0.293 95 Y C 0.202 176.096 175.900 -0.009 0.000 1.119 95 Y CA 1.065 59.160 58.100 -0.008 0.000 1.203 95 Y CB -0.108 38.349 38.460 -0.005 0.000 1.026 95 Y HN 0.370 nan 8.280 nan 0.000 0.549 96 K N 0.908 121.265 120.400 -0.072 0.000 3.619 96 K HA -0.155 4.261 4.320 0.160 0.000 0.275 96 K C -2.715 173.715 176.600 -0.284 0.000 0.993 96 K CA 0.357 56.554 56.287 -0.151 0.000 0.787 96 K CB -1.531 30.884 32.500 -0.143 0.000 1.431 96 K HN 0.333 nan 8.250 nan 0.000 0.451 97 P HA 0.033 nan 4.420 nan 0.000 0.274 97 P C -0.136 177.117 177.300 -0.079 0.000 1.231 97 P CA -0.073 62.929 63.100 -0.164 0.000 0.790 97 P CB 0.705 32.467 31.700 0.104 0.000 0.951 98 D N -0.226 120.131 120.400 -0.071 0.000 2.333 98 D HA 0.076 4.812 4.640 0.160 0.000 0.208 98 D C 0.501 176.823 176.300 0.038 0.000 0.984 98 D CA 0.837 54.811 54.000 -0.044 0.000 0.873 98 D CB 0.732 41.466 40.800 -0.110 0.000 0.935 98 D HN 0.121 nan 8.370 nan 0.000 0.521 99 V N 0.222 120.190 119.914 0.092 0.000 3.225 99 V HA 0.360 4.576 4.120 0.160 0.000 0.293 99 V C -1.826 174.332 176.094 0.106 0.000 1.405 99 V CA -0.861 61.505 62.300 0.111 0.000 1.038 99 V CB 2.400 34.319 31.823 0.160 0.000 1.123 99 V HN -0.099 nan 8.190 nan 0.000 0.447 100 V N 3.521 123.474 119.914 0.064 0.000 2.735 100 V HA 0.753 4.969 4.120 0.160 0.000 0.310 100 V C -1.134 174.945 176.094 -0.025 0.000 1.061 100 V CA -0.744 61.570 62.300 0.022 0.000 0.913 100 V CB 1.809 33.644 31.823 0.020 0.000 1.005 100 V HN 0.967 nan 8.190 nan 0.000 0.428 101 L N 4.096 125.268 121.223 -0.086 0.000 2.319 101 L HA 0.832 5.268 4.340 0.160 0.000 0.281 101 L C 0.419 177.191 176.870 -0.163 0.000 1.005 101 L CA -0.259 54.511 54.840 -0.117 0.000 0.828 101 L CB 1.193 43.164 42.059 -0.147 0.000 1.227 101 L HN 1.058 nan 8.230 nan 0.000 0.415 102 G N 5.051 113.776 108.800 -0.125 0.000 2.335 102 G HA2 0.390 4.446 3.960 0.160 0.000 0.316 102 G HA3 0.390 4.446 3.960 0.160 0.000 0.316 102 G C 0.303 175.130 174.900 -0.122 0.000 1.129 102 G CA -0.485 44.529 45.100 -0.143 0.000 0.899 102 G HN 0.586 nan 8.290 nan 0.000 0.448 103 M N 1.743 121.250 119.600 -0.154 0.000 2.383 103 M HA 0.273 4.849 4.480 0.160 0.000 0.247 103 M C 1.023 177.183 176.300 -0.233 0.000 1.117 103 M CA 0.055 55.310 55.300 -0.076 0.000 0.995 103 M CB -0.533 32.063 32.600 -0.008 0.000 1.480 103 M HN 0.961 nan 8.290 nan 0.000 0.485 104 G N 0.136 108.717 108.800 -0.365 0.000 2.612 104 G HA2 0.321 4.377 3.960 0.160 0.000 0.686 104 G HA3 0.321 4.377 3.960 0.160 0.000 0.686 104 G C -0.201 174.224 174.900 -0.792 0.000 1.274 104 G CA -0.192 44.548 45.100 -0.600 0.000 0.849 104 G HN 0.873 nan 8.290 nan 0.000 0.595 105 G N -1.391 107.103 108.800 -0.510 0.000 2.697 105 G HA2 0.374 4.430 3.960 0.160 0.000 0.686 105 G HA3 0.374 4.430 3.960 0.160 0.000 0.686 105 G C 0.435 175.249 174.900 -0.143 0.000 1.179 105 G CA 0.627 45.566 45.100 -0.269 0.000 0.765 105 G HN 2.460 nan 8.290 nan 0.000 0.649 106 Y N 0.857 121.134 120.300 -0.038 0.000 2.207 106 Y HA 0.046 4.692 4.550 0.160 0.000 0.287 106 Y C 2.619 178.526 175.900 0.012 0.000 1.156 106 Y CA 2.153 60.245 58.100 -0.012 0.000 1.182 106 Y CB -0.905 37.562 38.460 0.012 0.000 0.979 106 Y HN 0.993 nan 8.280 nan 0.000 0.521 107 V N 1.313 121.060 119.914 -0.278 0.000 2.568 107 V HA -0.258 3.958 4.120 0.160 0.000 0.253 107 V C 2.480 178.569 176.094 -0.008 0.000 1.072 107 V CA 2.389 64.643 62.300 -0.076 0.000 1.084 107 V CB -1.025 30.692 31.823 -0.178 0.000 0.676 107 V HN 0.790 nan 8.190 nan 0.000 0.469 108 S N -0.412 115.249 115.700 -0.065 0.000 2.474 108 S HA 0.018 4.584 4.470 0.160 0.000 0.235 108 S C 1.958 176.559 174.600 0.003 0.000 0.997 108 S CA 1.002 59.166 58.200 -0.060 0.000 0.949 108 S CB -0.478 62.649 63.200 -0.123 0.000 0.766 108 S HN 0.656 nan 8.310 nan 0.000 0.517 109 G N 2.897 111.729 108.800 0.053 0.000 2.434 109 G HA2 -0.039 4.017 3.960 0.160 0.000 0.214 109 G HA3 -0.039 4.017 3.960 0.160 0.000 0.214 109 G C -0.680 174.275 174.900 0.092 0.000 1.202 109 G CA 0.815 45.967 45.100 0.087 0.000 0.788 109 G HN 0.540 nan 8.290 nan 0.000 0.539 110 P HA 0.010 nan 4.420 nan 0.000 0.217 110 P C 2.102 179.503 177.300 0.169 0.000 1.150 110 P CA 1.596 64.794 63.100 0.164 0.000 0.832 110 P CB -0.367 31.456 31.700 0.205 0.000 0.787 111 G N -0.002 108.869 108.800 0.119 0.000 2.421 111 G HA2 -0.220 3.836 3.960 0.160 0.000 0.216 111 G HA3 -0.220 3.836 3.960 0.160 0.000 0.216 111 G C 1.820 176.781 174.900 0.102 0.000 1.171 111 G CA 0.969 46.127 45.100 0.097 0.000 0.775 111 G HN 0.347 nan 8.290 nan 0.000 0.543 112 G N 0.518 109.357 108.800 0.066 0.000 2.418 112 G HA2 -0.163 3.892 3.960 0.160 0.000 0.217 112 G HA3 -0.163 3.892 3.960 0.160 0.000 0.217 112 G C 1.748 176.721 174.900 0.122 0.000 1.158 112 G CA 0.726 45.863 45.100 0.063 0.000 0.771 112 G HN 0.392 nan 8.290 nan 0.000 0.545 113 L N 0.464 121.741 121.223 0.091 0.000 2.046 113 L HA -0.044 4.392 4.340 0.160 0.000 0.208 113 L C 3.257 180.267 176.870 0.233 0.000 1.077 113 L CA 1.555 56.434 54.840 0.065 0.000 0.747 113 L CB -0.393 41.533 42.059 -0.222 0.000 0.896 113 L HN 0.326 nan 8.230 nan 0.000 0.432 114 A N -0.086 122.942 122.820 0.347 0.000 1.865 114 A HA -0.237 4.179 4.320 0.160 0.000 0.217 114 A C 2.450 180.226 177.584 0.320 0.000 1.191 114 A CA 1.960 54.294 52.037 0.495 0.000 0.623 114 A CB -0.979 18.243 19.000 0.370 0.000 0.826 114 A HN 0.560 nan 8.150 nan 0.000 0.444 115 A N -1.785 121.176 122.820 0.236 0.000 1.908 115 A HA -0.201 4.215 4.320 0.160 0.000 0.218 115 A C 1.990 179.713 177.584 0.231 0.000 1.181 115 A CA 1.766 53.916 52.037 0.189 0.000 0.627 115 A CB -0.964 18.123 19.000 0.146 0.000 0.818 115 A HN 0.872 nan 8.150 nan 0.000 0.445 116 W N 1.849 123.190 121.300 0.067 0.000 2.358 116 W HA -0.226 4.530 4.660 0.161 0.000 0.303 116 W C 2.621 179.191 176.519 0.085 0.000 1.208 116 W CA 2.339 59.714 57.345 0.049 0.000 1.274 116 W CB -0.463 29.002 29.460 0.009 0.000 1.138 116 W HN 0.430 nan 8.180 nan 0.000 0.515 117 S N -0.640 115.125 115.700 0.109 0.000 2.515 117 S HA -0.091 4.475 4.470 0.160 0.000 0.231 117 S C 1.604 176.211 174.600 0.012 0.000 0.987 117 S CA 1.203 59.417 58.200 0.025 0.000 0.936 117 S CB -0.587 62.883 63.200 0.451 0.000 0.766 117 S HN 0.336 nan 8.310 nan 0.000 0.528 118 L N 0.491 121.741 121.223 0.046 0.000 2.693 118 L HA 0.406 4.842 4.340 0.160 0.000 0.235 118 L C 1.668 178.534 176.870 -0.006 0.000 1.127 118 L CA 0.268 55.120 54.840 0.021 0.000 0.914 118 L CB -0.061 42.028 42.059 0.050 0.000 1.193 118 L HN 0.527 nan 8.230 nan 0.000 0.502 119 G N 1.187 109.970 108.800 -0.028 0.000 2.148 119 G HA2 -0.281 3.775 3.960 0.160 0.000 0.254 119 G HA3 -0.281 3.775 3.960 0.160 0.000 0.254 119 G C 0.181 175.099 174.900 0.031 0.000 0.981 119 G CA -0.148 44.940 45.100 -0.020 0.000 0.670 119 G HN 0.290 nan 8.290 nan 0.000 0.528 120 I N 2.980 123.587 120.570 0.062 0.000 2.352 120 I HA 0.273 4.539 4.170 0.160 0.000 0.290 120 I C -1.347 174.831 176.117 0.102 0.000 1.036 120 I CA -2.289 59.053 61.300 0.070 0.000 1.336 120 I CB 1.146 39.189 38.000 0.071 0.000 1.407 120 I HN -0.066 nan 8.210 nan 0.000 0.497 121 P HA 0.034 nan 4.420 nan 0.000 0.268 121 P C -0.688 176.659 177.300 0.078 0.000 1.205 121 P CA -0.008 63.146 63.100 0.091 0.000 0.771 121 P CB 1.039 32.780 31.700 0.068 0.000 0.858 122 V N 3.992 123.945 119.914 0.066 0.000 2.417 122 V HA 0.271 4.487 4.120 0.160 0.000 0.291 122 V C 0.408 176.493 176.094 -0.014 0.000 1.024 122 V CA -0.622 61.694 62.300 0.025 0.000 0.861 122 V CB 1.910 33.741 31.823 0.014 0.000 0.985 122 V HN 0.284 nan 8.190 nan 0.000 0.436 123 V N 6.486 126.383 119.914 -0.028 0.000 2.495 123 V HA 0.565 4.781 4.120 0.160 0.000 0.298 123 V C -0.270 175.783 176.094 -0.068 0.000 1.031 123 V CA -0.505 61.765 62.300 -0.049 0.000 0.871 123 V CB 1.812 33.611 31.823 -0.040 0.000 0.988 123 V HN 0.642 nan 8.190 nan 0.000 0.432 124 L N 3.633 124.803 121.223 -0.089 0.000 2.333 124 L HA 0.676 5.112 4.340 0.160 0.000 0.269 124 L C -0.980 175.862 176.870 -0.047 0.000 1.010 124 L CA -0.799 53.986 54.840 -0.092 0.000 0.818 124 L CB 2.106 44.073 42.059 -0.153 0.000 1.306 124 L HN 0.731 nan 8.230 nan 0.000 0.430 125 H N 0.920 119.922 119.070 -0.113 0.000 2.782 125 H HA 0.408 5.058 4.556 0.157 0.000 0.347 125 H C -1.308 174.002 175.328 -0.030 0.000 1.038 125 H CA -0.544 55.453 56.048 -0.085 0.000 1.255 125 H CB 1.774 31.488 29.762 -0.080 0.000 1.623 125 H HN 0.518 nan 8.280 nan 0.000 0.525 126 E N 3.168 123.051 120.200 -0.528 0.000 2.145 126 E HA 0.196 4.642 4.350 0.160 0.000 0.270 126 E C -0.128 176.227 176.600 -0.408 0.000 0.906 126 E CA -0.403 55.851 56.400 -0.243 0.000 0.761 126 E CB 1.510 31.250 29.700 0.067 0.000 1.116 126 E HN 0.733 nan 8.360 nan 0.000 0.408 127 Q N 2.201 121.922 119.800 -0.132 0.000 2.269 127 Q HA 0.165 4.601 4.340 0.160 0.000 0.201 127 Q C -0.268 175.774 176.000 0.071 0.000 0.946 127 Q CA 0.728 56.506 55.803 -0.043 0.000 0.877 127 Q CB 0.097 28.903 28.738 0.113 0.000 0.963 127 Q HN 0.504 nan 8.270 nan 0.000 0.472 128 N N -0.905 117.873 118.700 0.130 0.000 2.476 128 N HA 0.328 5.164 4.740 0.160 0.000 0.275 128 N C 0.902 176.574 175.510 0.271 0.000 1.190 128 N CA 0.167 53.354 53.050 0.227 0.000 0.977 128 N CB 0.602 39.159 38.487 0.117 0.000 1.200 128 N HN 0.084 nan 8.380 nan 0.000 0.515 129 G N -0.234 108.708 108.800 0.236 0.000 2.471 129 G HA2 -0.033 4.023 3.960 0.160 0.000 0.219 129 G HA3 -0.033 4.023 3.960 0.160 0.000 0.219 129 G C 0.337 175.234 174.900 -0.005 0.000 1.125 129 G CA 0.618 45.808 45.100 0.150 0.000 0.775 129 G HN 0.617 nan 8.290 nan 0.000 0.548 130 I N -2.323 118.212 120.570 -0.059 0.000 2.498 130 I HA 0.767 5.033 4.170 0.160 0.000 0.290 130 I C 0.082 176.080 176.117 -0.198 0.000 1.032 130 I CA -1.550 59.599 61.300 -0.253 0.000 1.073 130 I CB 2.054 39.843 38.000 -0.352 0.000 1.251 130 I HN -0.043 nan 8.210 nan 0.000 0.426 131 A N 4.233 126.851 122.820 -0.338 0.000 2.511 131 A HA 0.556 4.972 4.320 0.160 0.000 0.242 131 A C 0.787 178.239 177.584 -0.221 0.000 1.069 131 A CA 0.349 52.187 52.037 -0.332 0.000 0.763 131 A CB -0.092 18.415 19.000 -0.822 0.000 1.001 131 A HN 1.073 nan 8.150 nan 0.000 0.498 132 G N 0.295 109.028 108.800 -0.112 0.000 2.569 132 G HA2 0.350 4.406 3.960 0.160 0.000 0.249 132 G HA3 0.350 4.406 3.960 0.160 0.000 0.249 132 G C 0.914 175.691 174.900 -0.205 0.000 1.216 132 G CA -0.444 44.591 45.100 -0.109 0.000 0.845 132 G HN 0.828 nan 8.290 nan 0.000 0.568 133 L N 1.137 122.192 121.223 -0.280 0.000 2.083 133 L HA -0.080 4.356 4.340 0.160 0.000 0.209 133 L C 2.629 179.134 176.870 -0.609 0.000 1.083 133 L CA 2.372 56.893 54.840 -0.533 0.000 0.752 133 L CB -1.177 40.515 42.059 -0.612 0.000 0.899 133 L HN 0.609 nan 8.230 nan 0.000 0.433 134 T N 0.124 114.477 114.554 -0.335 0.000 2.708 134 T HA -0.190 4.256 4.350 0.160 0.000 0.266 134 T C 1.711 176.364 174.700 -0.079 0.000 1.037 134 T CA 1.931 63.925 62.100 -0.176 0.000 1.146 134 T CB -0.320 68.503 68.868 -0.076 0.000 0.865 134 T HN 0.473 nan 8.240 nan 0.000 0.435 135 N N 0.292 118.957 118.700 -0.058 0.000 2.166 135 N HA -0.087 4.749 4.740 0.160 0.000 0.186 135 N C 2.001 177.634 175.510 0.205 0.000 1.019 135 N CA 0.830 53.918 53.050 0.064 0.000 0.856 135 N CB -0.043 38.520 38.487 0.126 0.000 0.993 135 N HN 0.326 nan 8.380 nan 0.000 0.426 136 K N 0.134 120.591 120.400 0.095 0.000 2.063 136 K HA -0.159 4.257 4.320 0.160 0.000 0.208 136 K C 1.443 178.204 176.600 0.268 0.000 1.048 136 K CA 1.247 57.621 56.287 0.144 0.000 0.928 136 K CB 0.003 32.421 32.500 -0.136 0.000 0.713 136 K HN 0.244 nan 8.250 nan 0.000 0.442 137 W N 0.560 121.869 121.300 0.015 0.000 2.453 137 W HA -0.052 4.707 4.660 0.164 0.000 0.289 137 W C 1.869 178.339 176.519 -0.081 0.000 1.215 137 W CA 0.002 57.325 57.345 -0.038 0.000 1.297 137 W CB -1.015 28.416 29.460 -0.048 0.000 1.113 137 W HN 0.142 nan 8.180 nan 0.000 0.551 138 L N 1.235 122.553 121.223 0.158 0.000 2.083 138 L HA -0.091 4.345 4.340 0.160 0.000 0.209 138 L C 2.422 179.250 176.870 -0.072 0.000 1.083 138 L CA 2.179 57.021 54.840 0.003 0.000 0.752 138 L CB -1.392 40.663 42.059 -0.007 0.000 0.899 138 L HN -0.052 nan 8.230 nan 0.000 0.433 139 A N -1.103 121.705 122.820 -0.021 0.000 2.084 139 A HA -0.201 4.215 4.320 0.160 0.000 0.221 139 A C 2.074 179.591 177.584 -0.112 0.000 1.161 139 A CA 1.367 53.341 52.037 -0.106 0.000 0.653 139 A CB -0.470 18.483 19.000 -0.078 0.000 0.802 139 A HN 0.343 nan 8.150 nan 0.000 0.457 140 K N -0.115 120.227 120.400 -0.095 0.000 2.362 140 K HA -0.010 4.406 4.320 0.160 0.000 0.200 140 K C 1.340 177.756 176.600 -0.306 0.000 1.046 140 K CA 1.392 57.585 56.287 -0.156 0.000 0.952 140 K CB -0.348 32.066 32.500 -0.143 0.000 0.753 140 K HN 0.887 nan 8.250 nan 0.000 0.466 141 I N -3.839 116.483 120.570 -0.415 0.000 4.240 141 I HA 0.332 4.598 4.170 0.160 0.000 0.331 141 I C 0.479 176.353 176.117 -0.404 0.000 1.381 141 I CA -0.565 60.317 61.300 -0.697 0.000 1.136 141 I CB 0.443 37.619 38.000 -1.373 0.000 1.137 141 I HN -0.263 nan 8.210 nan 0.000 0.411 142 A N 1.284 123.960 122.820 -0.240 0.000 2.407 142 A HA 0.446 4.862 4.320 0.160 0.000 0.248 142 A C 1.110 178.640 177.584 -0.090 0.000 1.082 142 A CA 0.207 52.158 52.037 -0.143 0.000 0.785 142 A CB 0.338 19.247 19.000 -0.152 0.000 1.020 142 A HN 0.303 nan 8.150 nan 0.000 0.489 143 T N 0.106 114.635 114.554 -0.041 0.000 3.014 143 T HA 0.104 4.550 4.350 0.160 0.000 0.263 143 T C 0.556 175.232 174.700 -0.039 0.000 1.078 143 T CA 1.577 63.669 62.100 -0.014 0.000 1.135 143 T CB -0.122 68.758 68.868 0.020 0.000 0.895 143 T HN 0.626 nan 8.240 nan 0.000 0.480 144 K N 1.156 121.518 120.400 -0.064 0.000 2.565 144 K HA 0.502 4.918 4.320 0.160 0.000 0.251 144 K C -2.038 174.486 176.600 -0.126 0.000 0.956 144 K CA -0.502 55.737 56.287 -0.080 0.000 0.809 144 K CB 1.648 34.117 32.500 -0.051 0.000 1.267 144 K HN -0.167 nan 8.250 nan 0.000 0.438 145 V N 5.192 125.001 119.914 -0.175 0.000 2.495 145 V HA 0.628 4.844 4.120 0.160 0.000 0.298 145 V C -0.326 175.636 176.094 -0.220 0.000 1.031 145 V CA -0.644 61.491 62.300 -0.275 0.000 0.871 145 V CB 1.581 33.110 31.823 -0.489 0.000 0.988 145 V HN 0.806 nan 8.190 nan 0.000 0.432 146 M N 4.588 124.077 119.600 -0.185 0.000 2.518 146 M HA 0.616 5.192 4.480 0.160 0.000 0.300 146 M C -0.951 175.249 176.300 -0.167 0.000 1.175 146 M CA -0.548 54.694 55.300 -0.097 0.000 0.890 146 M CB 2.667 35.290 32.600 0.038 0.000 1.710 146 M HN 0.819 nan 8.290 nan 0.000 0.453 147 Q N 0.792 120.511 119.800 -0.134 0.000 2.389 147 Q HA 0.775 5.211 4.340 0.160 0.000 0.277 147 Q C -0.317 175.563 176.000 -0.199 0.000 1.082 147 Q CA -0.881 54.808 55.803 -0.191 0.000 0.810 147 Q CB 2.093 30.842 28.738 0.018 0.000 1.374 147 Q HN 0.771 nan 8.270 nan 0.000 0.422 148 A N 1.721 124.332 122.820 -0.347 0.000 1.872 148 A HA 0.164 4.580 4.320 0.160 0.000 0.214 148 A C 0.035 177.268 177.584 -0.585 0.000 1.187 148 A CA 0.878 52.615 52.037 -0.499 0.000 0.614 148 A CB -0.191 18.317 19.000 -0.819 0.000 0.826 148 A HN 0.580 nan 8.150 nan 0.000 0.442 149 F N -0.253 119.700 119.950 0.005 0.000 2.538 149 F HA 0.493 5.111 4.527 0.151 0.000 0.325 149 F C -2.281 173.525 175.800 0.011 0.000 1.066 149 F CA -2.875 55.130 58.000 0.008 0.000 0.946 149 F CB 1.459 40.459 39.000 0.001 0.000 1.199 149 F HN -0.068 nan 8.300 nan 0.000 0.473 150 P HA 0.256 nan 4.420 nan 0.000 0.275 150 P C 0.466 177.827 177.300 0.102 0.000 1.228 150 P CA 0.473 63.643 63.100 0.118 0.000 0.786 150 P CB 1.450 33.204 31.700 0.090 0.000 0.927 151 G N 1.589 110.425 108.800 0.060 0.000 2.307 151 G HA2 -0.274 3.782 3.960 0.160 0.000 0.210 151 G HA3 -0.274 3.782 3.960 0.160 0.000 0.210 151 G C 1.135 175.990 174.900 -0.075 0.000 1.005 151 G CA 0.564 45.664 45.100 -0.001 0.000 0.634 151 G HN 0.669 nan 8.290 nan 0.000 0.496 152 A N -0.193 122.606 122.820 -0.035 0.000 1.858 152 A HA 0.523 4.939 4.320 0.160 0.000 0.216 152 A C 0.873 178.239 177.584 -0.363 0.000 1.190 152 A CA 1.610 53.540 52.037 -0.178 0.000 0.617 152 A CB -0.234 18.754 19.000 -0.020 0.000 0.827 152 A HN 0.772 nan 8.150 nan 0.000 0.443 153 F N -2.338 117.573 119.950 -0.066 0.000 2.561 153 F HA 0.477 5.099 4.527 0.158 0.000 0.321 153 F C -1.659 174.113 175.800 -0.045 0.000 1.065 153 F CA -2.026 55.938 58.000 -0.060 0.000 0.934 153 F CB 1.415 40.380 39.000 -0.059 0.000 1.215 153 F HN -0.121 nan 8.300 nan 0.000 0.471 154 P HA -0.103 nan 4.420 nan 0.000 0.215 154 P C -0.048 177.292 177.300 0.068 0.000 1.157 154 P CA 1.662 64.804 63.100 0.071 0.000 0.868 154 P CB 0.205 31.937 31.700 0.053 0.000 0.788 155 N N -2.297 116.447 118.700 0.074 0.000 2.194 155 N HA 0.272 5.108 4.740 0.160 0.000 0.231 155 N C -0.280 175.236 175.510 0.011 0.000 1.247 155 N CA -0.194 52.877 53.050 0.035 0.000 0.884 155 N CB 0.219 38.717 38.487 0.018 0.000 1.146 155 N HN 0.008 nan 8.380 nan 0.000 0.516 156 A N 0.815 123.643 122.820 0.015 0.000 2.477 156 A HA 0.100 4.516 4.320 0.160 0.000 0.246 156 A C 0.482 178.049 177.584 -0.029 0.000 1.078 156 A CA -0.251 51.751 52.037 -0.059 0.000 0.770 156 A CB 0.139 19.048 19.000 -0.151 0.000 1.011 156 A HN 0.351 nan 8.150 nan 0.000 0.494 157 E N 1.756 121.929 120.200 -0.044 0.000 2.465 157 E HA 0.203 4.649 4.350 0.160 0.000 0.260 157 E C -0.870 175.719 176.600 -0.019 0.000 0.980 157 E CA -0.080 56.305 56.400 -0.025 0.000 0.927 157 E CB 0.413 30.096 29.700 -0.029 0.000 0.934 157 E HN 0.374 nan 8.360 nan 0.000 0.459 158 V N 6.389 126.299 119.914 -0.006 0.000 2.385 158 V HA 0.049 4.265 4.120 0.160 0.000 0.269 158 V C 0.931 177.017 176.094 -0.014 0.000 1.043 158 V CA -0.049 62.246 62.300 -0.007 0.000 0.906 158 V CB 0.991 32.822 31.823 0.013 0.000 0.995 158 V HN 0.706 nan 8.190 nan 0.000 0.467 159 V N 2.270 122.174 119.914 -0.017 0.000 3.432 159 V HA 0.730 4.946 4.120 0.160 0.000 0.298 159 V C 0.835 176.908 176.094 -0.036 0.000 1.464 159 V CA 0.567 62.857 62.300 -0.016 0.000 1.046 159 V CB -0.345 31.478 31.823 -0.001 0.000 0.887 159 V HN 1.305 nan 8.190 nan 0.000 0.441 160 G N 1.492 110.243 108.800 -0.081 0.000 2.693 160 G HA2 -0.199 3.857 3.960 0.160 0.000 0.226 160 G HA3 -0.199 3.857 3.960 0.160 0.000 0.226 160 G C -0.644 174.196 174.900 -0.099 0.000 1.354 160 G CA 0.138 45.137 45.100 -0.169 0.000 0.873 160 G HN 0.654 nan 8.290 nan 0.000 0.562 161 N N 0.672 119.298 118.700 -0.123 0.000 2.335 161 N HA 0.616 5.452 4.740 0.160 0.000 0.304 161 N C -2.827 172.654 175.510 -0.048 0.000 1.135 161 N CA -1.152 51.870 53.050 -0.045 0.000 0.817 161 N CB 1.861 40.336 38.487 -0.019 0.000 1.294 161 N HN 0.263 nan 8.380 nan 0.000 0.497 162 P HA 0.108 nan 4.420 nan 0.000 0.267 162 P C -0.681 176.620 177.300 0.002 0.000 1.205 162 P CA 0.041 63.114 63.100 -0.044 0.000 0.765 162 P CB 0.701 32.377 31.700 -0.042 0.000 0.828 163 V N 4.489 124.404 119.914 0.003 0.000 2.680 163 V HA 0.372 4.588 4.120 0.160 0.000 0.309 163 V C 0.527 176.634 176.094 0.021 0.000 1.052 163 V CA -0.971 61.344 62.300 0.024 0.000 0.908 163 V CB 1.800 33.641 31.823 0.031 0.000 1.001 163 V HN 0.529 nan 8.190 nan 0.000 0.431 164 R N 1.489 122.002 120.500 0.023 0.000 2.538 164 R HA 0.074 4.510 4.340 0.160 0.000 0.282 164 R C 1.051 177.364 176.300 0.022 0.000 1.009 164 R CA 0.524 56.631 56.100 0.012 0.000 1.063 164 R CB -0.197 30.101 30.300 -0.005 0.000 0.945 164 R HN 0.857 nan 8.270 nan 0.000 0.414 165 T N -1.264 113.300 114.554 0.016 0.000 2.962 165 T HA -0.178 4.268 4.350 0.160 0.000 0.270 165 T C 1.114 175.829 174.700 0.024 0.000 1.088 165 T CA 1.178 63.291 62.100 0.020 0.000 1.127 165 T CB -0.316 68.563 68.868 0.018 0.000 0.883 165 T HN 0.788 nan 8.240 nan 0.000 0.493 166 D N 1.369 121.781 120.400 0.021 0.000 2.264 166 D HA -0.045 4.691 4.640 0.160 0.000 0.208 166 D C 1.902 178.232 176.300 0.049 0.000 0.966 166 D CA 0.373 54.388 54.000 0.026 0.000 0.864 166 D CB -0.719 40.089 40.800 0.012 0.000 0.933 166 D HN 0.428 nan 8.370 nan 0.000 0.499 167 V N 0.479 120.432 119.914 0.064 0.000 2.446 167 V HA -0.041 4.175 4.120 0.160 0.000 0.244 167 V C 2.639 178.778 176.094 0.074 0.000 1.039 167 V CA 0.646 63.012 62.300 0.110 0.000 1.045 167 V CB -0.410 31.511 31.823 0.163 0.000 0.681 167 V HN 0.180 nan 8.190 nan 0.000 0.459 168 L N 0.445 121.699 121.223 0.050 0.000 2.187 168 L HA -0.141 4.295 4.340 0.160 0.000 0.213 168 L C 2.434 179.321 176.870 0.029 0.000 1.100 168 L CA 1.507 56.367 54.840 0.033 0.000 0.765 168 L CB -0.561 41.513 42.059 0.023 0.000 0.904 168 L HN 0.380 nan 8.230 nan 0.000 0.437 169 A N -0.557 122.282 122.820 0.033 0.000 2.208 169 A HA 0.151 4.567 4.320 0.160 0.000 0.209 169 A C 1.065 178.669 177.584 0.033 0.000 1.161 169 A CA -0.167 51.887 52.037 0.029 0.000 0.782 169 A CB -0.322 18.694 19.000 0.027 0.000 0.816 169 A HN 0.225 nan 8.150 nan 0.000 0.477 170 L N 1.072 122.321 121.223 0.043 0.000 2.525 170 L HA 0.100 4.536 4.340 0.160 0.000 0.278 170 L C -2.000 174.888 176.870 0.030 0.000 1.218 170 L CA -1.410 53.458 54.840 0.047 0.000 0.878 170 L CB 0.027 42.124 42.059 0.064 0.000 1.127 170 L HN 0.116 nan 8.230 nan 0.000 0.492 171 P HA 0.000 nan 4.420 nan 0.000 0.269 171 P C -0.410 176.895 177.300 0.007 0.000 1.217 171 P CA -0.390 62.721 63.100 0.018 0.000 0.783 171 P CB 0.345 32.057 31.700 0.021 0.000 0.898 172 L N 3.840 125.063 121.223 -0.000 0.000 2.482 172 L HA 0.027 4.463 4.340 0.160 0.000 0.273 172 L C -1.100 175.759 176.870 -0.018 0.000 1.228 172 L CA -1.133 53.701 54.840 -0.011 0.000 0.827 172 L CB -0.582 41.471 42.059 -0.011 0.000 1.099 172 L HN 0.343 nan 8.230 nan 0.000 0.494 173 P HA -0.201 nan 4.420 nan 0.000 0.216 173 P C 1.475 178.754 177.300 -0.035 0.000 1.157 173 P CA 1.424 64.499 63.100 -0.042 0.000 0.880 173 P CB 0.204 31.870 31.700 -0.057 0.000 0.791 174 Q N -1.070 118.712 119.800 -0.030 0.000 2.096 174 Q HA -0.232 4.204 4.340 0.160 0.000 0.204 174 Q C 2.267 178.256 176.000 -0.017 0.000 0.982 174 Q CA 1.264 57.052 55.803 -0.024 0.000 0.850 174 Q CB -0.395 28.331 28.738 -0.020 0.000 0.901 174 Q HN 0.369 nan 8.270 nan 0.000 0.422 175 Q N 0.095 119.888 119.800 -0.012 0.000 2.079 175 Q HA -0.129 4.307 4.340 0.160 0.000 0.200 175 Q C 1.929 177.928 176.000 -0.002 0.000 0.974 175 Q CA 1.128 56.929 55.803 -0.004 0.000 0.840 175 Q CB -0.376 28.363 28.738 0.002 0.000 0.898 175 Q HN 0.322 nan 8.270 nan 0.000 0.430 176 R N 0.581 121.077 120.500 -0.005 0.000 2.075 176 R HA -0.022 4.414 4.340 0.160 0.000 0.232 176 R C 1.902 178.192 176.300 -0.017 0.000 1.126 176 R CA 0.862 56.960 56.100 -0.004 0.000 0.963 176 R CB 0.003 30.299 30.300 -0.007 0.000 0.858 176 R HN 0.200 nan 8.270 nan 0.000 0.435 177 L N 0.749 121.955 121.223 -0.029 0.000 2.592 177 L HA 0.289 4.725 4.340 0.160 0.000 0.227 177 L C 0.498 177.352 176.870 -0.027 0.000 1.127 177 L CA -0.426 54.391 54.840 -0.037 0.000 0.884 177 L CB 0.262 42.290 42.059 -0.051 0.000 1.065 177 L HN 0.098 nan 8.230 nan 0.000 0.457 178 A N 0.702 123.512 122.820 -0.017 0.000 2.515 178 A HA 0.393 4.809 4.320 0.160 0.000 0.263 178 A C 1.473 179.052 177.584 -0.008 0.000 1.096 178 A CA 0.716 52.746 52.037 -0.012 0.000 0.769 178 A CB -0.488 18.508 19.000 -0.007 0.000 1.040 178 A HN 0.587 nan 8.150 nan 0.000 0.505 179 G N 1.882 110.677 108.800 -0.009 0.000 2.162 179 G HA2 -0.291 3.765 3.960 0.160 0.000 0.260 179 G HA3 -0.291 3.765 3.960 0.160 0.000 0.260 179 G C 0.492 175.388 174.900 -0.006 0.000 0.976 179 G CA 0.611 45.708 45.100 -0.005 0.000 0.655 179 G HN 1.055 nan 8.290 nan 0.000 0.533 180 R N 0.965 121.457 120.500 -0.014 0.000 2.347 180 R HA 0.511 4.947 4.340 0.160 0.000 0.304 180 R C 0.125 176.413 176.300 -0.019 0.000 1.072 180 R CA 0.217 56.306 56.100 -0.019 0.000 0.980 180 R CB 0.289 30.566 30.300 -0.038 0.000 0.986 180 R HN 0.525 nan 8.270 nan 0.000 0.448 181 E N 1.815 122.008 120.200 -0.012 0.000 2.423 181 E HA 0.610 5.056 4.350 0.160 0.000 0.269 181 E C -0.637 175.961 176.600 -0.003 0.000 0.948 181 E CA -0.706 55.690 56.400 -0.007 0.000 0.802 181 E CB 1.983 31.683 29.700 0.001 0.000 1.339 181 E HN 0.835 nan 8.360 nan 0.000 0.445 182 G N 0.626 109.428 108.800 0.003 0.000 2.566 182 G HA2 -0.124 3.932 3.960 0.160 0.000 0.599 182 G HA3 -0.124 3.932 3.960 0.160 0.000 0.599 182 G C -2.768 172.138 174.900 0.011 0.000 1.292 182 G CA -1.234 43.874 45.100 0.013 0.000 0.922 182 G HN 0.384 nan 8.290 nan 0.000 0.514 183 P HA 0.347 nan 4.420 nan 0.000 0.265 183 P C 0.412 177.715 177.300 0.006 0.000 1.187 183 P CA -0.433 62.689 63.100 0.037 0.000 0.766 183 P CB 0.618 32.362 31.700 0.074 0.000 0.820 184 V N 4.827 124.744 119.914 0.005 0.000 2.529 184 V HA 0.025 4.241 4.120 0.160 0.000 0.292 184 V C 1.040 177.093 176.094 -0.068 0.000 1.028 184 V CA 0.208 62.486 62.300 -0.035 0.000 1.074 184 V CB -0.145 31.682 31.823 0.007 0.000 0.958 184 V HN 0.443 nan 8.190 nan 0.000 0.481 185 R N 3.875 124.237 120.500 -0.230 0.000 2.210 185 R HA 0.432 4.868 4.340 0.160 0.000 0.338 185 R C -0.914 175.220 176.300 -0.277 0.000 1.062 185 R CA -0.365 55.468 56.100 -0.446 0.000 0.902 185 R CB 0.836 30.345 30.300 -1.319 0.000 1.050 185 R HN 0.526 nan 8.270 nan 0.000 0.461 186 V N 5.520 125.450 119.914 0.028 0.000 2.350 186 V HA 0.225 4.441 4.120 0.160 0.000 0.276 186 V C 0.068 176.331 176.094 0.281 0.000 1.028 186 V CA -0.671 61.692 62.300 0.104 0.000 0.860 186 V CB 1.467 33.338 31.823 0.081 0.000 0.990 186 V HN 0.634 nan 8.190 nan 0.000 0.453 187 L N 6.370 127.737 121.223 0.239 0.000 2.265 187 L HA 0.562 4.998 4.340 0.160 0.000 0.289 187 L C -0.748 176.164 176.870 0.070 0.000 1.033 187 L CA -0.391 54.595 54.840 0.243 0.000 0.814 187 L CB 1.553 43.745 42.059 0.223 0.000 1.203 187 L HN 0.438 nan 8.230 nan 0.000 0.423 188 V N 6.194 126.103 119.914 -0.008 0.000 2.333 188 V HA 0.311 4.527 4.120 0.160 0.000 0.274 188 V C -0.009 175.995 176.094 -0.151 0.000 1.028 188 V CA -0.523 61.694 62.300 -0.139 0.000 0.851 188 V CB 1.577 33.156 31.823 -0.406 0.000 1.000 188 V HN 0.463 nan 8.190 nan 0.000 0.456 189 V N 4.123 123.995 119.914 -0.070 0.000 2.384 189 V HA 0.590 4.806 4.120 0.160 0.000 0.287 189 V C 1.023 177.127 176.094 0.017 0.000 1.020 189 V CA 0.112 62.394 62.300 -0.030 0.000 0.850 189 V CB 1.473 33.301 31.823 0.009 0.000 0.987 189 V HN 0.898 nan 8.190 nan 0.000 0.436 190 G N 2.389 111.212 108.800 0.039 0.000 3.192 190 G HA2 0.541 4.597 3.960 0.160 0.000 0.239 190 G HA3 0.541 4.597 3.960 0.160 0.000 0.239 190 G C 0.650 175.605 174.900 0.093 0.000 1.084 190 G CA 0.352 45.498 45.100 0.077 0.000 0.784 190 G HN 1.430 nan 8.290 nan 0.000 0.540 191 G N 0.114 108.968 108.800 0.091 0.000 2.829 191 G HA2 -0.011 4.045 3.960 0.160 0.000 0.628 191 G HA3 -0.011 4.045 3.960 0.160 0.000 0.628 191 G C 1.231 176.230 174.900 0.166 0.000 1.412 191 G CA 0.318 45.481 45.100 0.105 0.000 0.864 191 G HN 1.225 nan 8.290 nan 0.000 0.544 192 S N -1.075 114.731 115.700 0.177 0.000 2.392 192 S HA -0.218 4.348 4.470 0.160 0.000 0.232 192 S C 1.776 176.561 174.600 0.308 0.000 1.041 192 S CA 2.329 60.701 58.200 0.286 0.000 1.026 192 S CB -0.162 63.115 63.200 0.128 0.000 0.845 192 S HN 0.761 nan 8.310 nan 0.000 0.465 193 Q N 1.251 121.157 119.800 0.176 0.000 2.408 193 Q HA 0.373 4.809 4.340 0.160 0.000 0.205 193 Q C 1.256 177.322 176.000 0.110 0.000 0.919 193 Q CA 0.685 56.570 55.803 0.136 0.000 0.932 193 Q CB -0.108 28.686 28.738 0.093 0.000 1.058 193 Q HN 0.779 nan 8.270 nan 0.000 0.517 194 G N 0.771 109.640 108.800 0.115 0.000 2.733 194 G HA2 -0.017 4.039 3.960 0.160 0.000 0.686 194 G HA3 -0.017 4.039 3.960 0.160 0.000 0.686 194 G C -0.723 174.242 174.900 0.108 0.000 1.373 194 G CA -0.453 44.712 45.100 0.107 0.000 0.838 194 G HN 0.410 nan 8.290 nan 0.000 0.588 195 A N 2.196 125.088 122.820 0.120 0.000 2.508 195 A HA 0.673 5.089 4.320 0.160 0.000 0.336 195 A C 1.597 179.256 177.584 0.125 0.000 1.360 195 A CA 0.688 52.801 52.037 0.127 0.000 0.841 195 A CB 0.449 19.523 19.000 0.123 0.000 1.136 195 A HN 1.761 nan 8.150 nan 0.000 0.489 196 R N 2.439 123.006 120.500 0.112 0.000 2.159 196 R HA -0.242 4.194 4.340 0.160 0.000 0.252 196 R C 1.307 177.655 176.300 0.080 0.000 1.144 196 R CA 2.478 58.632 56.100 0.089 0.000 0.961 196 R CB -1.231 29.116 30.300 0.077 0.000 0.877 196 R HN 0.696 nan 8.270 nan 0.000 0.444 197 I N 0.483 121.102 120.570 0.082 0.000 2.315 197 I HA -0.176 4.090 4.170 0.160 0.000 0.248 197 I C 2.209 178.368 176.117 0.071 0.000 1.117 197 I CA 1.064 62.401 61.300 0.062 0.000 1.404 197 I CB 0.082 38.113 38.000 0.052 0.000 1.071 197 I HN 0.117 nan 8.210 nan 0.000 0.419 198 L N 0.548 121.829 121.223 0.097 0.000 2.109 198 L HA -0.171 4.265 4.340 0.160 0.000 0.207 198 L C 2.086 179.087 176.870 0.218 0.000 1.086 198 L CA 0.913 55.818 54.840 0.109 0.000 0.760 198 L CB -0.867 41.229 42.059 0.062 0.000 0.910 198 L HN 0.294 nan 8.230 nan 0.000 0.437 199 N N -0.336 118.499 118.700 0.225 0.000 2.289 199 N HA -0.157 4.679 4.740 0.160 0.000 0.184 199 N C 1.836 177.365 175.510 0.031 0.000 1.016 199 N CA 0.932 54.092 53.050 0.182 0.000 0.872 199 N CB -0.070 38.481 38.487 0.106 0.000 0.973 199 N HN 0.372 nan 8.380 nan 0.000 0.433 200 Q N -0.617 119.202 119.800 0.032 0.000 2.297 200 Q HA 0.161 4.597 4.340 0.160 0.000 0.203 200 Q C 1.551 177.536 176.000 -0.025 0.000 0.931 200 Q CA 0.780 56.574 55.803 -0.016 0.000 0.885 200 Q CB -0.206 28.530 28.738 -0.003 0.000 0.991 200 Q HN 0.333 nan 8.270 nan 0.000 0.498 201 T N 1.133 115.693 114.554 0.009 0.000 2.939 201 T HA 0.026 4.472 4.350 0.160 0.000 0.254 201 T C 1.832 176.531 174.700 -0.001 0.000 1.041 201 T CA 0.549 62.650 62.100 0.002 0.000 1.142 201 T CB 0.063 68.940 68.868 0.015 0.000 0.874 201 T HN 0.051 nan 8.240 nan 0.000 0.452 202 M N 0.845 120.474 119.600 0.048 0.000 2.213 202 M HA 0.021 4.597 4.480 0.160 0.000 0.263 202 M C -0.912 175.368 176.300 -0.033 0.000 1.062 202 M CA 1.033 56.383 55.300 0.083 0.000 1.105 202 M CB -2.299 30.459 32.600 0.263 0.000 1.385 202 M HN 0.125 nan 8.290 nan 0.000 0.417 203 P HA -0.126 nan 4.420 nan 0.000 0.216 203 P C 1.538 178.747 177.300 -0.151 0.000 1.153 203 P CA 1.214 63.965 63.100 -0.582 0.000 0.848 203 P CB -0.136 31.145 31.700 -0.699 0.000 0.787 204 Q N -0.898 118.843 119.800 -0.099 0.000 2.119 204 Q HA -0.077 4.359 4.340 0.160 0.000 0.201 204 Q C 2.046 178.048 176.000 0.003 0.000 0.972 204 Q CA 1.079 56.861 55.803 -0.035 0.000 0.847 204 Q CB -0.676 28.040 28.738 -0.036 0.000 0.903 204 Q HN 0.116 nan 8.270 nan 0.000 0.433 205 V N 1.029 120.949 119.914 0.010 0.000 2.427 205 V HA -0.256 3.960 4.120 0.160 0.000 0.248 205 V C 2.276 178.411 176.094 0.068 0.000 1.051 205 V CA 1.712 64.028 62.300 0.027 0.000 1.048 205 V CB -0.875 30.961 31.823 0.021 0.000 0.666 205 V HN 0.384 nan 8.190 nan 0.000 0.456 206 A N 0.154 123.050 122.820 0.126 0.000 1.908 206 A HA -0.176 4.240 4.320 0.160 0.000 0.218 206 A C 2.449 180.148 177.584 0.191 0.000 1.181 206 A CA 2.177 54.349 52.037 0.225 0.000 0.627 206 A CB -0.810 18.462 19.000 0.454 0.000 0.818 206 A HN 0.578 nan 8.150 nan 0.000 0.445 207 A N -0.424 122.475 122.820 0.132 0.000 1.908 207 A HA -0.175 4.241 4.320 0.160 0.000 0.218 207 A C 2.038 179.662 177.584 0.066 0.000 1.181 207 A CA 2.251 54.342 52.037 0.091 0.000 0.627 207 A CB -0.360 18.672 19.000 0.053 0.000 0.818 207 A HN 0.410 nan 8.150 nan 0.000 0.445 208 K N -0.198 120.232 120.400 0.050 0.000 2.155 208 K HA 0.140 4.556 4.320 0.160 0.000 0.203 208 K C 1.567 178.189 176.600 0.037 0.000 1.052 208 K CA 0.910 57.216 56.287 0.031 0.000 0.948 208 K CB -0.329 32.178 32.500 0.012 0.000 0.728 208 K HN 0.513 nan 8.250 nan 0.000 0.448 209 L N -0.764 120.492 121.223 0.055 0.000 2.477 209 L HA 0.172 4.608 4.340 0.160 0.000 0.220 209 L C 1.427 178.344 176.870 0.078 0.000 1.106 209 L CA 0.221 55.095 54.840 0.056 0.000 0.851 209 L CB -0.858 41.233 42.059 0.054 0.000 0.994 209 L HN 0.344 nan 8.230 nan 0.000 0.462 210 G N 1.444 110.305 108.800 0.101 0.000 2.684 210 G HA2 -0.428 3.628 3.960 0.160 0.000 0.332 210 G HA3 -0.428 3.628 3.960 0.160 0.000 0.332 210 G C 0.508 175.474 174.900 0.110 0.000 1.306 210 G CA 0.826 45.986 45.100 0.100 0.000 1.002 210 G HN 0.321 nan 8.290 nan 0.000 0.545 211 D N 1.074 121.517 120.400 0.072 0.000 2.351 211 D HA 0.015 4.751 4.640 0.160 0.000 0.216 211 D C 2.706 179.051 176.300 0.074 0.000 0.968 211 D CA 1.594 55.634 54.000 0.067 0.000 0.899 211 D CB -0.348 40.476 40.800 0.041 0.000 0.907 211 D HN 0.569 nan 8.370 nan 0.000 0.514 212 S N -0.541 115.201 115.700 0.071 0.000 2.481 212 S HA -0.012 4.554 4.470 0.160 0.000 0.231 212 S C 0.903 175.546 174.600 0.071 0.000 0.996 212 S CA 0.270 58.505 58.200 0.059 0.000 0.942 212 S CB -0.354 62.872 63.200 0.043 0.000 0.768 212 S HN 0.130 nan 8.310 nan 0.000 0.520 213 V N -2.730 117.249 119.914 0.108 0.000 3.078 213 V HA 0.832 5.048 4.120 0.160 0.000 0.311 213 V C -0.750 175.476 176.094 0.220 0.000 1.138 213 V CA -0.450 61.922 62.300 0.120 0.000 1.007 213 V CB 1.569 33.442 31.823 0.083 0.000 1.045 213 V HN 0.101 nan 8.190 nan 0.000 0.432 214 T N 3.342 118.028 114.554 0.220 0.000 2.841 214 T HA 0.748 5.194 4.350 0.160 0.000 0.285 214 T C -0.901 173.999 174.700 0.333 0.000 0.991 214 T CA -0.382 61.934 62.100 0.360 0.000 0.966 214 T CB 0.683 69.761 68.868 0.350 0.000 0.962 214 T HN 0.719 nan 8.240 nan 0.000 0.438 215 I N 3.926 124.616 120.570 0.199 0.000 2.562 215 I HA 0.549 4.815 4.170 0.160 0.000 0.301 215 I C -1.020 175.248 176.117 0.252 0.000 1.003 215 I CA -1.003 60.365 61.300 0.114 0.000 1.127 215 I CB 1.903 39.679 38.000 -0.372 0.000 1.304 215 I HN 0.596 nan 8.210 nan 0.000 0.446 216 W N 6.666 128.031 121.300 0.109 0.000 2.453 216 W HA 0.382 5.162 4.660 0.201 0.000 0.310 216 W C -1.406 175.146 176.519 0.055 0.000 1.000 216 W CA -1.100 56.212 57.345 -0.056 0.000 1.367 216 W CB 0.640 29.912 29.460 -0.312 0.000 1.269 216 W HN 0.522 nan 8.180 nan 0.000 0.418 217 H N 4.099 123.389 119.070 0.367 0.000 2.519 217 H HA 0.221 4.885 4.556 0.180 0.000 0.316 217 H C -0.203 175.274 175.328 0.247 0.000 1.065 217 H CA -0.236 55.965 56.048 0.255 0.000 1.264 217 H CB 1.208 31.131 29.762 0.268 0.000 1.413 217 H HN 0.277 nan 8.280 nan 0.000 0.465 218 Q N 4.251 124.233 119.800 0.304 0.000 2.430 218 Q HA 0.082 4.517 4.340 0.160 0.000 0.245 218 Q C 0.270 176.443 176.000 0.290 0.000 1.021 218 Q CA -0.207 55.734 55.803 0.230 0.000 0.867 218 Q CB 1.108 29.877 28.738 0.052 0.000 1.210 218 Q HN 0.923 nan 8.270 nan 0.000 0.487 219 S N 2.391 118.254 115.700 0.273 0.000 2.436 219 S HA 0.234 4.800 4.470 0.160 0.000 0.228 219 S C 0.903 175.545 174.600 0.070 0.000 1.014 219 S CA 0.535 58.852 58.200 0.195 0.000 0.950 219 S CB -0.066 63.167 63.200 0.054 0.000 0.784 219 S HN 0.964 nan 8.310 nan 0.000 0.504 220 G N 1.002 109.778 108.800 -0.040 0.000 2.612 220 G HA2 -0.075 3.981 3.960 0.160 0.000 0.686 220 G HA3 -0.075 3.981 3.960 0.160 0.000 0.686 220 G C -0.797 173.950 174.900 -0.256 0.000 1.274 220 G CA -0.567 44.492 45.100 -0.067 0.000 0.849 220 G HN 0.507 nan 8.290 nan 0.000 0.595 221 K N 0.460 120.761 120.400 -0.165 0.000 2.491 221 K HA 0.389 4.805 4.320 0.160 0.000 0.279 221 K C 1.598 178.154 176.600 -0.073 0.000 1.026 221 K CA 1.503 57.709 56.287 -0.135 0.000 1.070 221 K CB -0.285 32.335 32.500 0.199 0.000 0.887 221 K HN 2.445 nan 8.250 nan 0.000 0.481 222 G N 2.730 111.472 108.800 -0.097 0.000 2.166 222 G HA2 -0.280 3.776 3.960 0.160 0.000 0.260 222 G HA3 -0.280 3.776 3.960 0.160 0.000 0.260 222 G C 0.458 175.330 174.900 -0.047 0.000 0.986 222 G CA 0.722 45.795 45.100 -0.046 0.000 0.683 222 G HN 0.609 nan 8.290 nan 0.000 0.527 223 S N -0.565 115.092 115.700 -0.072 0.000 2.603 223 S HA 0.176 4.742 4.470 0.160 0.000 0.232 223 S C 1.754 176.321 174.600 -0.055 0.000 1.016 223 S CA 0.628 58.800 58.200 -0.046 0.000 0.976 223 S CB 0.404 63.591 63.200 -0.022 0.000 0.921 223 S HN 0.418 nan 8.310 nan 0.000 0.516 224 Q N 2.352 122.106 119.800 -0.077 0.000 2.030 224 Q HA -0.167 4.269 4.340 0.160 0.000 0.204 224 Q C 1.725 177.704 176.000 -0.036 0.000 0.986 224 Q CA 1.819 57.586 55.803 -0.060 0.000 0.843 224 Q CB -0.283 28.409 28.738 -0.077 0.000 0.904 224 Q HN 0.607 nan 8.270 nan 0.000 0.420 225 Q N -0.206 119.574 119.800 -0.033 0.000 2.124 225 Q HA -0.116 4.320 4.340 0.160 0.000 0.202 225 Q C 2.139 178.129 176.000 -0.017 0.000 0.977 225 Q CA 1.764 57.555 55.803 -0.020 0.000 0.850 225 Q CB -0.037 28.690 28.738 -0.018 0.000 0.901 225 Q HN 0.508 nan 8.270 nan 0.000 0.429 226 S N -0.568 115.117 115.700 -0.025 0.000 2.387 226 S HA -0.063 4.503 4.470 0.160 0.000 0.226 226 S C 2.013 176.588 174.600 -0.042 0.000 1.026 226 S CA 0.887 59.070 58.200 -0.028 0.000 0.972 226 S CB -0.325 62.858 63.200 -0.027 0.000 0.814 226 S HN 0.130 nan 8.310 nan 0.000 0.477 227 V N 2.015 121.896 119.914 -0.055 0.000 2.488 227 V HA -0.045 4.171 4.120 0.160 0.000 0.246 227 V C 2.828 178.944 176.094 0.037 0.000 1.046 227 V CA 1.980 64.223 62.300 -0.095 0.000 1.053 227 V CB -0.840 30.865 31.823 -0.198 0.000 0.679 227 V HN 0.557 nan 8.190 nan 0.000 0.458 228 E N 0.571 120.807 120.200 0.059 0.000 2.077 228 E HA -0.289 4.157 4.350 0.160 0.000 0.193 228 E C 2.248 178.905 176.600 0.095 0.000 0.989 228 E CA 1.880 58.342 56.400 0.104 0.000 0.800 228 E CB -0.295 29.424 29.700 0.032 0.000 0.746 228 E HN 0.634 nan 8.360 nan 0.000 0.452 229 Q N -0.789 119.032 119.800 0.036 0.000 2.167 229 Q HA -0.106 4.330 4.340 0.160 0.000 0.202 229 Q C 2.014 178.021 176.000 0.012 0.000 0.970 229 Q CA 1.268 57.083 55.803 0.020 0.000 0.855 229 Q CB -0.214 28.523 28.738 -0.001 0.000 0.911 229 Q HN 0.398 nan 8.270 nan 0.000 0.438 230 A N -0.295 122.511 122.820 -0.024 0.000 1.902 230 A HA -0.190 4.226 4.320 0.160 0.000 0.217 230 A C 1.635 179.165 177.584 -0.090 0.000 1.181 230 A CA 1.203 53.184 52.037 -0.094 0.000 0.623 230 A CB -0.842 18.041 19.000 -0.194 0.000 0.818 230 A HN 0.505 nan 8.150 nan 0.000 0.443 231 Y N -0.093 120.209 120.300 0.003 0.000 2.242 231 Y HA -0.066 4.576 4.550 0.153 0.000 0.291 231 Y C 2.899 178.817 175.900 0.029 0.000 1.137 231 Y CA 0.861 58.988 58.100 0.046 0.000 1.181 231 Y CB -0.505 38.002 38.460 0.078 0.000 0.989 231 Y HN 0.332 nan 8.280 nan 0.000 0.527 232 A N 0.057 122.973 122.820 0.159 0.000 1.902 232 A HA -0.206 4.210 4.320 0.160 0.000 0.217 232 A C 2.033 179.647 177.584 0.050 0.000 1.181 232 A CA 1.852 53.937 52.037 0.081 0.000 0.623 232 A CB -0.597 18.432 19.000 0.048 0.000 0.818 232 A HN 0.508 nan 8.150 nan 0.000 0.443 233 E N -0.437 119.783 120.200 0.033 0.000 2.268 233 E HA -0.016 4.430 4.350 0.160 0.000 0.195 233 E C 1.851 178.461 176.600 0.016 0.000 0.995 233 E CA 0.674 57.082 56.400 0.013 0.000 0.836 233 E CB -0.178 29.519 29.700 -0.004 0.000 0.763 233 E HN 0.610 nan 8.360 nan 0.000 0.491 234 A N 0.202 123.039 122.820 0.028 0.000 2.238 234 A HA 0.249 4.665 4.320 0.160 0.000 0.208 234 A C 1.649 179.269 177.584 0.061 0.000 1.177 234 A CA 0.719 52.778 52.037 0.036 0.000 0.804 234 A CB -0.265 18.755 19.000 0.032 0.000 0.823 234 A HN 0.304 nan 8.150 nan 0.000 0.482 235 G N -1.375 107.459 108.800 0.057 0.000 2.143 235 G HA2 -0.200 3.856 3.960 0.160 0.000 0.248 235 G HA3 -0.200 3.856 3.960 0.160 0.000 0.248 235 G C -0.017 174.912 174.900 0.047 0.000 0.991 235 G CA 0.374 45.500 45.100 0.044 0.000 0.689 235 G HN 0.455 nan 8.290 nan 0.000 0.522 236 Q N -0.649 119.204 119.800 0.088 0.000 2.928 236 Q HA 0.227 4.663 4.340 0.160 0.000 0.353 236 Q C -1.651 174.351 176.000 0.002 0.000 0.870 236 Q CA -1.038 54.783 55.803 0.030 0.000 0.963 236 Q CB 1.680 30.516 28.738 0.164 0.000 1.419 236 Q HN 0.442 nan 8.270 nan 0.000 0.396 237 P HA -0.186 nan 4.420 nan 0.000 0.226 237 P C 1.119 178.358 177.300 -0.102 0.000 1.153 237 P CA 1.052 64.143 63.100 -0.014 0.000 0.777 237 P CB 0.387 32.081 31.700 -0.010 0.000 0.794 238 Q N -0.672 119.009 119.800 -0.198 0.000 2.364 238 Q HA -0.125 4.311 4.340 0.160 0.000 0.207 238 Q C 0.500 176.358 176.000 -0.237 0.000 0.970 238 Q CA 0.998 56.671 55.803 -0.217 0.000 0.888 238 Q CB -1.354 27.252 28.738 -0.220 0.000 0.951 238 Q HN 0.384 nan 8.270 nan 0.000 0.469 239 H N 1.943 120.904 119.070 -0.181 0.000 2.871 239 H HA 0.158 4.814 4.556 0.165 0.000 0.355 239 H C -0.224 174.921 175.328 -0.304 0.000 1.092 239 H CA 0.138 56.014 56.048 -0.286 0.000 1.420 239 H CB 0.592 30.007 29.762 -0.579 0.000 1.400 239 H HN 0.124 nan 8.280 nan 0.000 0.604 240 K N 2.266 122.587 120.400 -0.131 0.000 2.276 240 K HA 0.303 4.719 4.320 0.160 0.000 0.283 240 K C -1.135 175.389 176.600 -0.125 0.000 1.044 240 K CA -0.417 55.724 56.287 -0.244 0.000 0.944 240 K CB 0.461 32.638 32.500 -0.538 0.000 1.012 240 K HN 0.243 nan 8.250 nan 0.000 0.472 241 V N 3.981 123.843 119.914 -0.086 0.000 2.483 241 V HA 0.310 4.526 4.120 0.160 0.000 0.297 241 V C -0.442 175.679 176.094 0.045 0.000 1.027 241 V CA -0.821 61.507 62.300 0.046 0.000 0.855 241 V CB 1.606 33.444 31.823 0.026 0.000 0.995 241 V HN 1.001 nan 8.190 nan 0.000 0.424 242 T N -0.410 114.237 114.554 0.155 0.000 2.893 242 T HA 0.475 4.921 4.350 0.160 0.000 0.291 242 T C 0.647 175.373 174.700 0.043 0.000 1.028 242 T CA -0.503 61.666 62.100 0.115 0.000 0.995 242 T CB 2.465 71.481 68.868 0.247 0.000 1.051 242 T HN 0.650 nan 8.240 nan 0.000 0.470 243 E N 0.772 120.909 120.200 -0.106 0.000 2.051 243 E HA -0.011 4.435 4.350 0.160 0.000 0.192 243 E C -0.546 175.729 176.600 -0.541 0.000 0.991 243 E CA 1.195 57.345 56.400 -0.417 0.000 0.799 243 E CB 0.104 29.429 29.700 -0.625 0.000 0.748 243 E HN 0.630 nan 8.360 nan 0.000 0.449 244 F N -1.102 118.899 119.950 0.085 0.000 2.691 244 F HA 0.520 5.133 4.527 0.144 0.000 0.334 244 F C -0.345 175.497 175.800 0.070 0.000 1.107 244 F CA -0.983 57.052 58.000 0.058 0.000 0.991 244 F CB 1.305 40.325 39.000 0.033 0.000 1.400 244 F HN -0.224 nan 8.300 nan 0.000 0.503 245 I N 1.410 122.118 120.570 0.229 0.000 2.542 245 I HA 0.187 4.453 4.170 0.160 0.000 0.278 245 I C -0.497 175.625 176.117 0.008 0.000 1.069 245 I CA -0.305 61.040 61.300 0.076 0.000 1.100 245 I CB 1.431 39.331 38.000 -0.167 0.000 1.204 245 I HN 0.523 nan 8.210 nan 0.000 0.470 246 D N 2.256 122.678 120.400 0.036 0.000 2.103 246 D HA -0.117 4.619 4.640 0.160 0.000 0.199 246 D C 0.868 177.134 176.300 -0.056 0.000 0.978 246 D CA 1.529 55.515 54.000 -0.023 0.000 0.829 246 D CB 0.206 41.002 40.800 -0.007 0.000 0.981 246 D HN 0.423 nan 8.370 nan 0.000 0.464 247 D N 0.785 121.165 120.400 -0.033 0.000 2.558 247 D HA 0.005 4.741 4.640 0.160 0.000 0.221 247 D C 1.218 177.436 176.300 -0.136 0.000 1.143 247 D CA -0.121 53.849 54.000 -0.051 0.000 1.010 247 D CB 0.152 40.956 40.800 0.006 0.000 1.068 247 D HN -0.133 nan 8.370 nan 0.000 0.511 248 M N 1.276 120.744 119.600 -0.221 0.000 2.202 248 M HA -0.138 4.438 4.480 0.160 0.000 0.262 248 M C 1.931 177.972 176.300 -0.431 0.000 1.063 248 M CA 0.710 55.740 55.300 -0.448 0.000 1.097 248 M CB -0.903 31.402 32.600 -0.491 0.000 1.382 248 M HN 0.409 nan 8.290 nan 0.000 0.413 249 A N 0.034 122.758 122.820 -0.161 0.000 1.908 249 A HA -0.060 4.356 4.320 0.160 0.000 0.218 249 A C 2.396 180.004 177.584 0.040 0.000 1.181 249 A CA 2.189 54.227 52.037 0.001 0.000 0.627 249 A CB -0.906 18.114 19.000 0.033 0.000 0.818 249 A HN 0.488 nan 8.150 nan 0.000 0.445 250 A N -0.316 122.515 122.820 0.018 0.000 1.933 250 A HA 0.182 4.598 4.320 0.160 0.000 0.218 250 A C 2.476 180.142 177.584 0.136 0.000 1.175 250 A CA 2.029 54.122 52.037 0.094 0.000 0.628 250 A CB -0.909 18.154 19.000 0.105 0.000 0.814 250 A HN 1.039 nan 8.150 nan 0.000 0.444 251 A N -1.444 121.347 122.820 -0.048 0.000 1.898 251 A HA -0.073 4.343 4.320 0.160 0.000 0.216 251 A C 2.098 179.790 177.584 0.181 0.000 1.181 251 A CA 1.296 53.250 52.037 -0.139 0.000 0.620 251 A CB -0.802 17.753 19.000 -0.740 0.000 0.819 251 A HN 0.665 nan 8.150 nan 0.000 0.442 252 Y N -0.443 119.882 120.300 0.043 0.000 2.352 252 Y HA -0.141 4.470 4.550 0.102 0.000 0.292 252 Y C 2.893 178.842 175.900 0.083 0.000 1.136 252 Y CA 0.209 58.339 58.100 0.049 0.000 1.227 252 Y CB -0.093 38.375 38.460 0.013 0.000 0.991 252 Y HN 0.416 nan 8.280 nan 0.000 0.545 253 A N -0.098 122.889 122.820 0.278 0.000 1.898 253 A HA -0.248 4.168 4.320 0.160 0.000 0.216 253 A C 1.837 179.561 177.584 0.233 0.000 1.181 253 A CA 1.506 53.668 52.037 0.207 0.000 0.620 253 A CB -1.195 17.916 19.000 0.186 0.000 0.819 253 A HN 0.746 nan 8.150 nan 0.000 0.442 254 W N 1.013 122.388 121.300 0.126 0.000 2.409 254 W HA 0.274 5.020 4.660 0.144 0.000 0.299 254 W C 1.272 177.866 176.519 0.124 0.000 1.203 254 W CA 0.720 58.150 57.345 0.141 0.000 1.298 254 W CB -0.391 29.206 29.460 0.229 0.000 1.127 254 W HN 0.356 nan 8.180 nan 0.000 0.528 255 A N 1.386 124.233 122.820 0.045 0.000 2.448 255 A HA 0.009 4.425 4.320 0.160 0.000 0.239 255 A C 0.908 178.316 177.584 -0.294 0.000 1.080 255 A CA 0.861 52.707 52.037 -0.318 0.000 0.779 255 A CB 0.079 19.129 19.000 0.085 0.000 1.026 255 A HN 0.410 nan 8.150 nan 0.000 0.499 256 D N -0.963 119.243 120.400 -0.323 0.000 2.431 256 D HA 0.218 4.954 4.640 0.160 0.000 0.227 256 D C -0.062 176.157 176.300 -0.135 0.000 1.030 256 D CA 1.018 54.894 54.000 -0.206 0.000 0.897 256 D CB 0.973 41.655 40.800 -0.196 0.000 1.058 256 D HN 0.300 nan 8.370 nan 0.000 0.500 257 V N 0.581 120.436 119.914 -0.099 0.000 3.120 257 V HA 0.424 4.640 4.120 0.160 0.000 0.303 257 V C -1.690 174.395 176.094 -0.014 0.000 1.238 257 V CA -0.644 61.628 62.300 -0.047 0.000 1.008 257 V CB 2.538 34.399 31.823 0.063 0.000 1.064 257 V HN -0.227 nan 8.190 nan 0.000 0.434 258 V N 5.176 125.065 119.914 -0.042 0.000 2.604 258 V HA 0.638 4.854 4.120 0.160 0.000 0.305 258 V C -0.582 175.485 176.094 -0.045 0.000 1.043 258 V CA -0.656 61.636 62.300 -0.015 0.000 0.888 258 V CB 1.908 33.725 31.823 -0.010 0.000 0.995 258 V HN 0.670 nan 8.190 nan 0.000 0.429 259 V N 3.931 123.842 119.914 -0.004 0.000 2.378 259 V HA 0.728 4.944 4.120 0.160 0.000 0.288 259 V C -0.076 176.035 176.094 0.029 0.000 1.016 259 V CA -0.255 62.043 62.300 -0.003 0.000 0.840 259 V CB 1.029 32.851 31.823 -0.001 0.000 0.994 259 V HN 1.229 nan 8.190 nan 0.000 0.431 260 C N 3.906 123.259 119.300 0.088 0.000 3.249 260 C HA 0.696 5.252 4.460 0.160 0.000 0.350 260 C C -0.383 174.757 174.990 0.250 0.000 1.431 260 C CA -1.209 57.899 59.018 0.151 0.000 1.209 260 C CB 1.740 29.581 27.740 0.168 0.000 1.546 260 C HN 0.676 nan 8.230 nan 0.000 0.450 261 R N 1.267 121.893 120.500 0.210 0.000 2.738 261 R HA 0.486 4.922 4.340 0.160 0.000 0.275 261 R C 0.622 177.039 176.300 0.194 0.000 1.121 261 R CA 0.579 56.798 56.100 0.199 0.000 1.207 261 R CB 0.324 30.715 30.300 0.151 0.000 1.141 261 R HN 1.101 nan 8.270 nan 0.000 0.571 262 S N -1.352 114.375 115.700 0.046 0.000 2.384 262 S HA 0.277 4.843 4.470 0.160 0.000 0.227 262 S C 0.461 174.983 174.600 -0.131 0.000 1.257 262 S CA -0.653 57.421 58.200 -0.209 0.000 1.249 262 S CB 0.602 63.445 63.200 -0.595 0.000 1.018 262 S HN 0.701 nan 8.310 nan 0.000 0.478 263 G N 0.730 109.519 108.800 -0.018 0.000 2.544 263 G HA2 0.475 4.531 3.960 0.160 0.000 0.242 263 G HA3 0.475 4.531 3.960 0.160 0.000 0.242 263 G C 1.076 175.992 174.900 0.026 0.000 1.247 263 G CA -0.325 44.778 45.100 0.006 0.000 0.840 263 G HN 0.673 nan 8.290 nan 0.000 0.578 264 A N 1.588 124.453 122.820 0.075 0.000 1.884 264 A HA -0.141 4.275 4.320 0.160 0.000 0.219 264 A C 2.423 180.133 177.584 0.210 0.000 1.197 264 A CA 1.675 53.833 52.037 0.202 0.000 0.637 264 A CB -0.515 18.622 19.000 0.228 0.000 0.827 264 A HN 0.622 nan 8.150 nan 0.000 0.450 265 L N -1.035 120.277 121.223 0.148 0.000 2.131 265 L HA -0.157 4.279 4.340 0.160 0.000 0.210 265 L C 2.742 179.696 176.870 0.141 0.000 1.092 265 L CA 1.710 56.634 54.840 0.141 0.000 0.759 265 L CB -1.067 41.078 42.059 0.144 0.000 0.903 265 L HN 0.369 nan 8.230 nan 0.000 0.435 266 T N -0.387 114.248 114.554 0.134 0.000 2.777 266 T HA -0.128 4.318 4.350 0.160 0.000 0.266 266 T C 2.063 176.868 174.700 0.173 0.000 1.040 266 T CA 1.159 63.353 62.100 0.157 0.000 1.141 266 T CB -0.136 68.824 68.868 0.152 0.000 0.868 266 T HN 0.050 nan 8.240 nan 0.000 0.444 267 V N 1.511 121.493 119.914 0.114 0.000 2.343 267 V HA -0.172 4.044 4.120 0.160 0.000 0.247 267 V C 2.684 178.903 176.094 0.208 0.000 1.051 267 V CA 1.843 64.200 62.300 0.094 0.000 1.036 267 V CB -0.730 31.017 31.823 -0.127 0.000 0.654 267 V HN 0.435 nan 8.190 nan 0.000 0.451 268 S N -0.857 114.993 115.700 0.250 0.000 2.383 268 S HA -0.224 4.342 4.470 0.160 0.000 0.227 268 S C 1.989 176.659 174.600 0.116 0.000 1.026 268 S CA 1.583 59.899 58.200 0.193 0.000 0.981 268 S CB -0.232 63.039 63.200 0.119 0.000 0.818 268 S HN 0.742 nan 8.310 nan 0.000 0.472 269 E N 0.774 121.046 120.200 0.119 0.000 2.072 269 E HA -0.117 4.329 4.350 0.160 0.000 0.191 269 E C 1.778 178.375 176.600 -0.006 0.000 0.985 269 E CA 0.894 57.355 56.400 0.102 0.000 0.801 269 E CB -0.013 29.795 29.700 0.181 0.000 0.750 269 E HN 0.293 nan 8.360 nan 0.000 0.452 270 I N 1.218 121.785 120.570 -0.005 0.000 2.226 270 I HA -0.207 4.058 4.170 0.160 0.000 0.245 270 I C 2.513 178.567 176.117 -0.105 0.000 1.100 270 I CA 1.274 62.489 61.300 -0.143 0.000 1.374 270 I CB -1.476 36.553 38.000 0.048 0.000 1.057 270 I HN 0.172 nan 8.210 nan 0.000 0.413 271 A N 0.902 123.727 122.820 0.009 0.000 1.877 271 A HA -0.108 4.308 4.320 0.160 0.000 0.216 271 A C 2.573 180.146 177.584 -0.020 0.000 1.186 271 A CA 1.924 53.968 52.037 0.011 0.000 0.620 271 A CB -0.784 18.261 19.000 0.075 0.000 0.822 271 A HN 0.402 nan 8.150 nan 0.000 0.443 272 A N -0.251 122.564 122.820 -0.009 0.000 1.933 272 A HA 0.176 4.592 4.320 0.160 0.000 0.218 272 A C 2.367 179.930 177.584 -0.035 0.000 1.175 272 A CA 1.935 53.968 52.037 -0.008 0.000 0.628 272 A CB -0.826 18.184 19.000 0.017 0.000 0.814 272 A HN 1.095 nan 8.150 nan 0.000 0.444 273 A N -1.331 121.431 122.820 -0.098 0.000 2.167 273 A HA 0.387 4.803 4.320 0.160 0.000 0.214 273 A C 1.722 179.230 177.584 -0.127 0.000 1.151 273 A CA 1.161 53.116 52.037 -0.137 0.000 0.735 273 A CB -1.120 17.642 19.000 -0.397 0.000 0.802 273 A HN 1.961 nan 8.150 nan 0.000 0.467 274 G N -0.783 107.947 108.800 -0.116 0.000 2.351 274 G HA2 -0.183 3.873 3.960 0.160 0.000 0.297 274 G HA3 -0.183 3.873 3.960 0.160 0.000 0.297 274 G C -0.302 174.515 174.900 -0.138 0.000 1.054 274 G CA 0.549 45.588 45.100 -0.102 0.000 1.123 274 G HN 0.520 nan 8.290 nan 0.000 0.512 275 L N 0.009 121.121 121.223 -0.185 0.000 2.381 275 L HA 0.526 4.962 4.340 0.160 0.000 0.268 275 L C -2.200 174.531 176.870 -0.231 0.000 0.997 275 L CA -2.540 52.174 54.840 -0.211 0.000 0.818 275 L CB 2.737 44.634 42.059 -0.269 0.000 1.310 275 L HN -0.047 nan 8.230 nan 0.000 0.416 276 P HA 0.339 nan 4.420 nan 0.000 0.274 276 P C -1.346 175.760 177.300 -0.324 0.000 1.231 276 P CA -0.217 62.680 63.100 -0.338 0.000 0.790 276 P CB 1.147 32.601 31.700 -0.410 0.000 0.951 277 A N 2.169 124.747 122.820 -0.404 0.000 2.549 277 A HA 0.620 5.036 4.320 0.160 0.000 0.297 277 A C -1.808 175.562 177.584 -0.356 0.000 1.061 277 A CA -0.492 51.254 52.037 -0.486 0.000 0.690 277 A CB 1.073 19.475 19.000 -0.996 0.000 1.287 277 A HN 0.475 nan 8.150 nan 0.000 0.402 278 L N 2.202 123.313 121.223 -0.187 0.000 2.313 278 L HA 0.592 5.028 4.340 0.160 0.000 0.273 278 L C -1.345 175.483 176.870 -0.070 0.000 1.028 278 L CA -0.324 54.516 54.840 -0.001 0.000 0.871 278 L CB -0.585 41.508 42.059 0.056 0.000 1.242 278 L HN 0.544 nan 8.230 nan 0.000 0.434 279 F N 3.947 123.945 119.950 0.080 0.000 2.456 279 F HA 0.335 4.905 4.527 0.072 0.000 0.358 279 F C 0.595 176.424 175.800 0.047 0.000 1.095 279 F CA -0.558 57.470 58.000 0.048 0.000 1.216 279 F CB 1.088 40.098 39.000 0.016 0.000 1.125 279 F HN 0.049 nan 8.300 nan 0.000 0.549 280 V N 5.432 125.506 119.914 0.267 0.000 2.235 280 V HA 0.214 4.430 4.120 0.160 0.000 0.266 280 V C -2.239 173.953 176.094 0.162 0.000 1.055 280 V CA -2.022 60.376 62.300 0.164 0.000 0.844 280 V CB 0.406 32.301 31.823 0.119 0.000 1.097 280 V HN 0.516 nan 8.190 nan 0.000 0.453 281 P HA -0.049 nan 4.420 nan 0.000 0.264 281 P C -0.344 177.047 177.300 0.152 0.000 1.183 281 P CA 0.094 63.271 63.100 0.128 0.000 0.763 281 P CB 0.285 32.048 31.700 0.105 0.000 0.807 282 F N 3.244 123.226 119.950 0.053 0.000 2.504 282 F HA 0.150 4.768 4.527 0.153 0.000 0.369 282 F C 0.839 176.686 175.800 0.077 0.000 1.082 282 F CA -0.213 57.825 58.000 0.063 0.000 1.216 282 F CB 0.462 39.501 39.000 0.065 0.000 1.108 282 F HN 0.226 nan 8.300 nan 0.000 0.554 283 Q N 5.905 125.423 119.800 -0.471 0.000 2.313 283 Q HA 0.221 4.657 4.340 0.160 0.000 0.266 283 Q C -1.186 174.698 176.000 -0.193 0.000 0.989 283 Q CA 0.481 56.111 55.803 -0.289 0.000 0.890 283 Q CB 0.194 28.753 28.738 -0.299 0.000 1.200 283 Q HN 0.754 nan 8.270 nan 0.000 0.396 284 H N 2.356 121.375 119.070 -0.085 0.000 3.024 284 H HA 0.121 4.773 4.556 0.159 0.000 0.324 284 H C -0.337 175.007 175.328 0.028 0.000 1.347 284 H CA -0.447 55.608 56.048 0.013 0.000 1.182 284 H CB 1.251 31.100 29.762 0.146 0.000 1.889 284 H HN 0.585 nan 8.280 nan 0.000 0.528 285 K N 0.988 121.406 120.400 0.031 0.000 2.113 285 K HA -0.138 4.278 4.320 0.160 0.000 0.208 285 K C 1.403 178.168 176.600 0.274 0.000 1.047 285 K CA 2.459 58.821 56.287 0.125 0.000 0.928 285 K CB -0.119 32.399 32.500 0.029 0.000 0.716 285 K HN 0.640 nan 8.250 nan 0.000 0.446 286 D N -0.260 120.420 120.400 0.466 0.000 2.317 286 D HA -0.143 4.593 4.640 0.160 0.000 0.211 286 D C -0.172 176.338 176.300 0.350 0.000 0.966 286 D CA 0.357 54.526 54.000 0.282 0.000 0.876 286 D CB -0.164 40.713 40.800 0.128 0.000 0.927 286 D HN 0.231 nan 8.370 nan 0.000 0.519 287 R N 0.314 120.998 120.500 0.306 0.000 3.416 287 R HA -0.252 4.184 4.340 0.160 0.000 0.263 287 R C 1.356 177.862 176.300 0.344 0.000 1.053 287 R CA 0.818 57.065 56.100 0.245 0.000 0.705 287 R CB -2.498 27.873 30.300 0.118 0.000 1.124 287 R HN 0.428 nan 8.270 nan 0.000 0.444 288 Q N 1.195 121.159 119.800 0.274 0.000 2.014 288 Q HA -0.283 4.153 4.340 0.160 0.000 0.207 288 Q C 1.594 177.698 176.000 0.173 0.000 0.993 288 Q CA 2.082 58.027 55.803 0.236 0.000 0.850 288 Q CB 0.013 28.799 28.738 0.080 0.000 0.916 288 Q HN 0.634 nan 8.270 nan 0.000 0.417 289 Q N -0.903 118.965 119.800 0.113 0.000 2.234 289 Q HA -0.219 4.217 4.340 0.160 0.000 0.206 289 Q C 1.867 177.831 176.000 -0.061 0.000 0.980 289 Q CA 1.440 57.256 55.803 0.022 0.000 0.869 289 Q CB -0.256 28.527 28.738 0.075 0.000 0.912 289 Q HN 0.536 nan 8.270 nan 0.000 0.436 290 Y N -0.317 119.893 120.300 -0.150 0.000 2.200 290 Y HA -0.227 4.418 4.550 0.158 0.000 0.290 290 Y C 1.418 177.089 175.900 -0.382 0.000 1.137 290 Y CA 1.434 59.343 58.100 -0.318 0.000 1.163 290 Y CB -0.496 37.676 38.460 -0.479 0.000 0.988 290 Y HN 0.070 nan 8.280 nan 0.000 0.518 291 W N 0.804 121.972 121.300 -0.219 0.000 2.425 291 W HA -0.124 4.631 4.660 0.159 0.000 0.277 291 W C 2.054 178.330 176.519 -0.406 0.000 1.231 291 W CA 0.797 57.951 57.345 -0.318 0.000 1.248 291 W CB -0.343 29.057 29.460 -0.101 0.000 1.117 291 W HN 0.052 nan 8.180 nan 0.000 0.568 292 N N 0.409 118.987 118.700 -0.204 0.000 2.216 292 N HA -0.096 4.740 4.740 0.160 0.000 0.183 292 N C 1.775 176.865 175.510 -0.699 0.000 1.017 292 N CA 1.788 54.561 53.050 -0.461 0.000 0.861 292 N CB -0.930 37.396 38.487 -0.268 0.000 0.986 292 N HN 0.141 nan 8.380 nan 0.000 0.428 293 A N 0.893 123.343 122.820 -0.618 0.000 1.930 293 A HA 0.027 4.443 4.320 0.160 0.000 0.215 293 A C 2.121 179.447 177.584 -0.430 0.000 1.176 293 A CA 0.426 52.071 52.037 -0.654 0.000 0.632 293 A CB -0.630 17.980 19.000 -0.649 0.000 0.819 293 A HN 0.177 nan 8.150 nan 0.000 0.445 294 L N 0.690 121.590 121.223 -0.538 0.000 2.064 294 L HA -0.151 4.285 4.340 0.160 0.000 0.216 294 L C -0.770 175.955 176.870 -0.242 0.000 1.077 294 L CA 2.622 57.189 54.840 -0.455 0.000 0.766 294 L CB -1.362 40.332 42.059 -0.608 0.000 0.890 294 L HN 0.172 nan 8.230 nan 0.000 0.435 295 P HA -0.173 nan 4.420 nan 0.000 0.215 295 P C 2.163 179.408 177.300 -0.091 0.000 1.153 295 P CA 1.495 64.499 63.100 -0.159 0.000 0.853 295 P CB -0.012 31.539 31.700 -0.247 0.000 0.788 296 L N -0.706 120.462 121.223 -0.091 0.000 2.109 296 L HA -0.145 4.291 4.340 0.160 0.000 0.207 296 L C 2.607 179.483 176.870 0.010 0.000 1.086 296 L CA 1.407 56.252 54.840 0.008 0.000 0.760 296 L CB -0.764 41.374 42.059 0.132 0.000 0.910 296 L HN 0.044 nan 8.230 nan 0.000 0.437 297 E N 0.860 121.065 120.200 0.008 0.000 2.077 297 E HA -0.296 4.150 4.350 0.160 0.000 0.193 297 E C 2.219 178.813 176.600 -0.009 0.000 0.989 297 E CA 1.318 57.724 56.400 0.011 0.000 0.800 297 E CB 0.054 29.762 29.700 0.014 0.000 0.746 297 E HN 0.284 nan 8.360 nan 0.000 0.452 298 K N 0.073 120.457 120.400 -0.025 0.000 2.097 298 K HA -0.120 4.296 4.320 0.160 0.000 0.206 298 K C 1.812 178.406 176.600 -0.009 0.000 1.049 298 K CA 1.199 57.478 56.287 -0.013 0.000 0.933 298 K CB -0.164 32.329 32.500 -0.012 0.000 0.717 298 K HN 0.171 nan 8.250 nan 0.000 0.442 299 A N 0.277 123.089 122.820 -0.014 0.000 2.206 299 A HA 0.153 4.569 4.320 0.160 0.000 0.211 299 A C 1.220 178.785 177.584 -0.031 0.000 1.158 299 A CA 0.869 52.897 52.037 -0.015 0.000 0.761 299 A CB -0.456 18.538 19.000 -0.011 0.000 0.801 299 A HN 0.565 nan 8.150 nan 0.000 0.473 300 G N -2.205 106.574 108.800 -0.035 0.000 2.182 300 G HA2 0.018 4.074 3.960 0.160 0.000 0.248 300 G HA3 0.018 4.074 3.960 0.160 0.000 0.248 300 G C 0.699 175.533 174.900 -0.110 0.000 1.042 300 G CA 0.516 45.581 45.100 -0.059 0.000 0.775 300 G HN 1.468 nan 8.290 nan 0.000 0.501 301 A N -1.632 121.128 122.820 -0.101 0.000 2.343 301 A HA 0.910 5.326 4.320 0.160 0.000 0.223 301 A C 1.159 178.623 177.584 -0.200 0.000 1.214 301 A CA 1.507 53.456 52.037 -0.148 0.000 0.900 301 A CB 0.329 19.277 19.000 -0.087 0.000 0.942 301 A HN 2.282 nan 8.150 nan 0.000 0.507 302 A N -0.682 122.058 122.820 -0.134 0.000 2.557 302 A HA 0.712 5.128 4.320 0.160 0.000 0.292 302 A C -1.407 176.206 177.584 0.049 0.000 1.139 302 A CA -0.587 51.378 52.037 -0.120 0.000 0.665 302 A CB 0.903 19.856 19.000 -0.079 0.000 1.285 302 A HN 0.154 nan 8.150 nan 0.000 0.433 303 K N 0.442 120.946 120.400 0.172 0.000 2.443 303 K HA 0.741 5.157 4.320 0.160 0.000 0.252 303 K C -1.781 174.943 176.600 0.207 0.000 0.933 303 K CA -0.280 56.159 56.287 0.252 0.000 0.792 303 K CB 0.980 33.743 32.500 0.439 0.000 1.185 303 K HN 0.579 nan 8.250 nan 0.000 0.425 304 I N 5.514 126.189 120.570 0.174 0.000 2.377 304 I HA 0.452 4.718 4.170 0.160 0.000 0.293 304 I C -0.345 175.846 176.117 0.124 0.000 0.987 304 I CA -0.868 60.539 61.300 0.178 0.000 1.185 304 I CB 1.281 39.375 38.000 0.156 0.000 1.341 304 I HN 0.487 nan 8.210 nan 0.000 0.455 305 I N 5.910 126.545 120.570 0.109 0.000 2.517 305 I HA 0.232 4.498 4.170 0.160 0.000 0.280 305 I C -0.276 175.867 176.117 0.044 0.000 1.061 305 I CA -0.502 60.830 61.300 0.054 0.000 1.091 305 I CB 1.321 39.336 38.000 0.025 0.000 1.205 305 I HN 0.574 nan 8.210 nan 0.000 0.459 306 E N 5.241 125.450 120.200 0.014 0.000 2.366 306 E HA 0.117 4.563 4.350 0.160 0.000 0.266 306 E C 0.439 177.020 176.600 -0.031 0.000 1.051 306 E CA -0.422 55.969 56.400 -0.016 0.000 0.884 306 E CB 1.109 30.765 29.700 -0.074 0.000 1.006 306 E HN 0.533 nan 8.360 nan 0.000 0.417 307 Q N 1.313 121.089 119.800 -0.040 0.000 2.242 307 Q HA -0.192 4.244 4.340 0.160 0.000 0.211 307 Q C -0.761 175.208 176.000 -0.051 0.000 0.992 307 Q CA 1.614 57.389 55.803 -0.045 0.000 0.889 307 Q CB -1.113 27.585 28.738 -0.066 0.000 0.913 307 Q HN 0.460 nan 8.270 nan 0.000 0.422 308 P HA -0.222 nan 4.420 nan 0.000 0.214 308 P C 0.775 178.046 177.300 -0.049 0.000 1.163 308 P CA 1.615 64.678 63.100 -0.061 0.000 0.889 308 P CB -0.149 31.507 31.700 -0.073 0.000 0.790 309 Q N -1.139 118.633 119.800 -0.046 0.000 2.211 309 Q HA 0.177 4.613 4.340 0.160 0.000 0.231 309 Q C -0.169 175.812 176.000 -0.033 0.000 0.865 309 Q CA -0.203 55.577 55.803 -0.039 0.000 0.997 309 Q CB -0.186 28.529 28.738 -0.039 0.000 1.101 309 Q HN 0.131 nan 8.270 nan 0.000 0.468 310 L N 2.222 123.427 121.223 -0.030 0.000 2.275 310 L HA 0.603 5.039 4.340 0.160 0.000 0.288 310 L C -0.833 176.023 176.870 -0.024 0.000 1.046 310 L CA 0.294 55.120 54.840 -0.023 0.000 0.805 310 L CB 1.383 43.434 42.059 -0.014 0.000 1.193 310 L HN 0.493 nan 8.230 nan 0.000 0.426 311 S N 2.975 118.659 115.700 -0.026 0.000 2.636 311 S HA 0.378 4.944 4.470 0.160 0.000 0.268 311 S C 0.718 175.301 174.600 -0.027 0.000 1.159 311 S CA -0.351 57.834 58.200 -0.025 0.000 0.815 311 S CB 1.279 64.462 63.200 -0.027 0.000 1.130 311 S HN 0.252 nan 8.310 nan 0.000 0.471 312 V N 1.472 121.371 119.914 -0.024 0.000 2.231 312 V HA -0.194 4.022 4.120 0.160 0.000 0.248 312 V C 2.187 178.261 176.094 -0.033 0.000 1.054 312 V CA 2.491 64.776 62.300 -0.025 0.000 1.015 312 V CB -0.934 30.877 31.823 -0.021 0.000 0.638 312 V HN 0.923 nan 8.190 nan 0.000 0.444 313 D N 0.101 120.481 120.400 -0.034 0.000 2.178 313 D HA -0.116 4.620 4.640 0.160 0.000 0.201 313 D C 2.194 178.460 176.300 -0.056 0.000 0.980 313 D CA 1.563 55.539 54.000 -0.040 0.000 0.842 313 D CB -0.150 40.629 40.800 -0.034 0.000 0.948 313 D HN 0.478 nan 8.370 nan 0.000 0.472 314 A N 0.802 123.589 122.820 -0.055 0.000 1.898 314 A HA -0.115 4.301 4.320 0.160 0.000 0.216 314 A C 2.568 180.093 177.584 -0.097 0.000 1.181 314 A CA 1.114 53.110 52.037 -0.068 0.000 0.620 314 A CB -0.652 18.317 19.000 -0.052 0.000 0.819 314 A HN 0.131 nan 8.150 nan 0.000 0.442 315 V N -0.148 119.716 119.914 -0.084 0.000 2.270 315 V HA -0.187 4.029 4.120 0.160 0.000 0.245 315 V C 3.068 179.080 176.094 -0.137 0.000 1.043 315 V CA 1.826 64.062 62.300 -0.107 0.000 1.014 315 V CB -1.391 30.394 31.823 -0.062 0.000 0.645 315 V HN 0.597 nan 8.190 nan 0.000 0.447 316 A N 0.696 123.460 122.820 -0.094 0.000 1.892 316 A HA -0.272 4.144 4.320 0.160 0.000 0.218 316 A C 2.073 179.580 177.584 -0.129 0.000 1.188 316 A CA 2.261 54.245 52.037 -0.089 0.000 0.631 316 A CB -0.794 18.176 19.000 -0.049 0.000 0.822 316 A HN 0.596 nan 8.150 nan 0.000 0.447 317 N N -0.402 118.221 118.700 -0.128 0.000 2.166 317 N HA -0.107 4.729 4.740 0.160 0.000 0.186 317 N C 1.738 177.102 175.510 -0.243 0.000 1.019 317 N CA 1.875 54.838 53.050 -0.145 0.000 0.856 317 N CB -0.766 37.655 38.487 -0.110 0.000 0.993 317 N HN 0.529 nan 8.380 nan 0.000 0.426 318 T N 1.947 116.304 114.554 -0.329 0.000 2.737 318 T HA 0.026 4.472 4.350 0.160 0.000 0.265 318 T C 2.178 176.332 174.700 -0.911 0.000 1.038 318 T CA 0.625 62.364 62.100 -0.603 0.000 1.144 318 T CB -0.201 68.307 68.868 -0.600 0.000 0.866 318 T HN 0.122 nan 8.240 nan 0.000 0.434 319 L N 0.865 121.721 121.223 -0.611 0.000 2.017 319 L HA -0.061 4.375 4.340 0.160 0.000 0.208 319 L C 3.034 179.759 176.870 -0.243 0.000 1.073 319 L CA 1.237 55.819 54.840 -0.430 0.000 0.745 319 L CB -0.704 41.240 42.059 -0.191 0.000 0.894 319 L HN 0.229 nan 8.230 nan 0.000 0.432 320 A N 0.184 122.891 122.820 -0.188 0.000 2.076 320 A HA -0.111 4.305 4.320 0.160 0.000 0.220 320 A C 2.189 179.722 177.584 -0.084 0.000 1.160 320 A CA 1.596 53.575 52.037 -0.096 0.000 0.653 320 A CB -0.928 18.026 19.000 -0.077 0.000 0.801 320 A HN 0.479 nan 8.150 nan 0.000 0.455 321 G N -2.571 106.122 108.800 -0.177 0.000 2.985 321 G HA2 0.200 4.256 3.960 0.160 0.000 0.209 321 G HA3 0.200 4.256 3.960 0.160 0.000 0.209 321 G C -0.084 174.874 174.900 0.097 0.000 1.165 321 G CA -0.338 44.707 45.100 -0.091 0.000 0.776 321 G HN 0.384 nan 8.290 nan 0.000 0.541 322 W N 2.139 123.424 121.300 -0.025 0.000 2.329 322 W HA 0.581 5.328 4.660 0.146 0.000 0.312 322 W C 0.518 177.018 176.519 -0.031 0.000 1.054 322 W CA -1.834 55.492 57.345 -0.032 0.000 1.245 322 W CB 0.642 30.076 29.460 -0.044 0.000 1.255 322 W HN 0.077 nan 8.180 nan 0.000 0.436 323 S N 2.631 118.439 115.700 0.179 0.000 2.669 323 S HA 0.438 5.004 4.470 0.160 0.000 0.270 323 S C 1.213 175.840 174.600 0.045 0.000 1.225 323 S CA -0.524 57.727 58.200 0.085 0.000 0.991 323 S CB 1.856 65.088 63.200 0.053 0.000 0.987 323 S HN 0.514 nan 8.310 nan 0.000 0.552 324 R N 0.201 120.711 120.500 0.017 0.000 2.092 324 R HA -0.091 4.345 4.340 0.160 0.000 0.231 324 R C 2.248 178.530 176.300 -0.031 0.000 1.119 324 R CA 1.581 57.673 56.100 -0.013 0.000 0.970 324 R CB -0.457 29.833 30.300 -0.016 0.000 0.864 324 R HN 0.857 nan 8.270 nan 0.000 0.440 325 E N 0.346 120.533 120.200 -0.021 0.000 2.077 325 E HA -0.131 4.315 4.350 0.160 0.000 0.193 325 E C 1.567 178.137 176.600 -0.051 0.000 0.989 325 E CA 2.032 58.413 56.400 -0.031 0.000 0.800 325 E CB -0.259 29.430 29.700 -0.018 0.000 0.746 325 E HN 0.101 nan 8.360 nan 0.000 0.452 326 T N 1.119 115.644 114.554 -0.047 0.000 2.708 326 T HA -0.080 4.366 4.350 0.160 0.000 0.266 326 T C 1.867 176.461 174.700 -0.177 0.000 1.037 326 T CA 1.429 63.474 62.100 -0.092 0.000 1.146 326 T CB -0.321 68.517 68.868 -0.051 0.000 0.865 326 T HN 0.131 nan 8.240 nan 0.000 0.435 327 L N 0.531 121.658 121.223 -0.160 0.000 2.079 327 L HA -0.079 4.357 4.340 0.160 0.000 0.210 327 L C 2.452 179.215 176.870 -0.177 0.000 1.081 327 L CA 0.740 55.453 54.840 -0.211 0.000 0.752 327 L CB -0.581 41.400 42.059 -0.129 0.000 0.896 327 L HN 0.233 nan 8.230 nan 0.000 0.433 328 L N -0.618 120.531 121.223 -0.123 0.000 2.046 328 L HA -0.164 4.272 4.340 0.160 0.000 0.208 328 L C 2.395 179.200 176.870 -0.109 0.000 1.077 328 L CA 2.046 56.825 54.840 -0.102 0.000 0.747 328 L CB -0.775 41.241 42.059 -0.071 0.000 0.896 328 L HN 0.110 nan 8.230 nan 0.000 0.432 329 T N -0.154 114.331 114.554 -0.115 0.000 2.674 329 T HA -0.226 4.220 4.350 0.160 0.000 0.265 329 T C 1.915 176.531 174.700 -0.141 0.000 1.039 329 T CA 2.231 64.264 62.100 -0.111 0.000 1.150 329 T CB -0.291 68.514 68.868 -0.104 0.000 0.864 329 T HN 0.328 nan 8.240 nan 0.000 0.427 330 M N 1.001 120.477 119.600 -0.206 0.000 2.106 330 M HA -0.131 4.445 4.480 0.160 0.000 0.259 330 M C 2.785 178.966 176.300 -0.199 0.000 1.068 330 M CA 1.723 56.874 55.300 -0.249 0.000 1.100 330 M CB -0.548 31.801 32.600 -0.419 0.000 1.351 330 M HN 0.329 nan 8.290 nan 0.000 0.404 331 A N 0.392 123.101 122.820 -0.184 0.000 1.883 331 A HA -0.201 4.215 4.320 0.160 0.000 0.217 331 A C 1.946 179.465 177.584 -0.108 0.000 1.186 331 A CA 1.919 53.867 52.037 -0.148 0.000 0.624 331 A CB -0.764 18.157 19.000 -0.131 0.000 0.822 331 A HN 0.560 nan 8.150 nan 0.000 0.444 332 E N -0.623 119.521 120.200 -0.094 0.000 2.077 332 E HA -0.208 4.238 4.350 0.160 0.000 0.193 332 E C 2.334 178.897 176.600 -0.062 0.000 0.989 332 E CA 1.185 57.545 56.400 -0.068 0.000 0.800 332 E CB -0.186 29.479 29.700 -0.059 0.000 0.746 332 E HN 0.543 nan 8.360 nan 0.000 0.452 333 R N 0.570 121.025 120.500 -0.075 0.000 2.073 333 R HA -0.121 4.315 4.340 0.160 0.000 0.234 333 R C 2.416 178.684 176.300 -0.053 0.000 1.134 333 R CA 1.280 57.343 56.100 -0.063 0.000 0.952 333 R CB -0.352 29.901 30.300 -0.079 0.000 0.850 333 R HN 0.118 nan 8.270 nan 0.000 0.433 334 A N 0.970 123.747 122.820 -0.072 0.000 1.908 334 A HA -0.229 4.187 4.320 0.160 0.000 0.218 334 A C 2.124 179.688 177.584 -0.034 0.000 1.181 334 A CA 1.732 53.736 52.037 -0.055 0.000 0.627 334 A CB -0.416 18.529 19.000 -0.091 0.000 0.818 334 A HN 0.130 nan 8.150 nan 0.000 0.445 335 R N 0.028 120.501 120.500 -0.045 0.000 2.092 335 R HA 0.026 4.462 4.340 0.160 0.000 0.231 335 R C 2.120 178.411 176.300 -0.015 0.000 1.119 335 R CA 1.758 57.840 56.100 -0.030 0.000 0.970 335 R CB -0.830 29.448 30.300 -0.036 0.000 0.864 335 R HN 0.396 nan 8.270 nan 0.000 0.440 336 A N -0.063 122.747 122.820 -0.017 0.000 2.019 336 A HA 0.044 4.460 4.320 0.160 0.000 0.219 336 A C 1.850 179.438 177.584 0.005 0.000 1.164 336 A CA 1.464 53.496 52.037 -0.008 0.000 0.644 336 A CB -0.609 18.384 19.000 -0.013 0.000 0.805 336 A HN 0.397 nan 8.150 nan 0.000 0.449 337 A N -0.594 122.233 122.820 0.012 0.000 2.476 337 A HA 0.505 4.921 4.320 0.160 0.000 0.263 337 A C 0.750 178.367 177.584 0.055 0.000 1.342 337 A CA 0.506 52.565 52.037 0.036 0.000 0.926 337 A CB -0.538 18.486 19.000 0.041 0.000 1.019 337 A HN 0.347 nan 8.150 nan 0.000 0.515 338 S N -0.150 115.570 115.700 0.034 0.000 2.537 338 S HA 0.745 5.311 4.470 0.160 0.000 0.301 338 S C -0.704 173.908 174.600 0.020 0.000 1.092 338 S CA -0.518 57.703 58.200 0.035 0.000 1.048 338 S CB 0.628 63.840 63.200 0.020 0.000 1.053 338 S HN 0.284 nan 8.310 nan 0.000 0.501 339 I N 5.656 126.234 120.570 0.013 0.000 2.420 339 I HA 0.350 4.616 4.170 0.160 0.000 0.282 339 I C -1.537 174.572 176.117 -0.012 0.000 1.019 339 I CA -1.919 59.378 61.300 -0.005 0.000 1.130 339 I CB 2.273 40.263 38.000 -0.017 0.000 1.262 339 I HN 0.582 nan 8.210 nan 0.000 0.454 340 P HA -0.031 nan 4.420 nan 0.000 0.236 340 P C 0.173 177.458 177.300 -0.025 0.000 1.177 340 P CA 0.822 63.915 63.100 -0.012 0.000 0.773 340 P CB 0.203 31.901 31.700 -0.004 0.000 0.878 341 D N -0.767 119.611 120.400 -0.036 0.000 2.643 341 D HA 0.264 5.000 4.640 0.160 0.000 0.244 341 D C 1.304 177.549 176.300 -0.092 0.000 1.257 341 D CA -0.585 53.380 54.000 -0.057 0.000 0.831 341 D CB -0.106 40.669 40.800 -0.042 0.000 1.043 341 D HN -0.031 nan 8.370 nan 0.000 0.488 342 A N 0.818 123.581 122.820 -0.095 0.000 1.859 342 A HA -0.224 4.192 4.320 0.160 0.000 0.217 342 A C 2.182 179.648 177.584 -0.197 0.000 1.198 342 A CA 2.218 54.178 52.037 -0.129 0.000 0.629 342 A CB -1.121 17.807 19.000 -0.119 0.000 0.830 342 A HN 0.316 nan 8.150 nan 0.000 0.446 343 T N 0.049 114.475 114.554 -0.213 0.000 2.635 343 T HA -0.176 4.270 4.350 0.160 0.000 0.267 343 T C 1.807 176.238 174.700 -0.449 0.000 1.040 343 T CA 2.008 63.923 62.100 -0.308 0.000 1.156 343 T CB -0.395 68.306 68.868 -0.279 0.000 0.863 343 T HN 0.635 nan 8.240 nan 0.000 0.430 344 E N 0.459 120.399 120.200 -0.434 0.000 2.110 344 E HA -0.063 4.383 4.350 0.160 0.000 0.193 344 E C 2.268 178.743 176.600 -0.207 0.000 0.988 344 E CA 0.798 56.970 56.400 -0.381 0.000 0.804 344 E CB -0.149 29.459 29.700 -0.154 0.000 0.745 344 E HN 0.342 nan 8.360 nan 0.000 0.458 345 R N 0.199 120.599 120.500 -0.167 0.000 2.062 345 R HA -0.106 4.330 4.340 0.160 0.000 0.231 345 R C 2.098 178.321 176.300 -0.128 0.000 1.136 345 R CA 1.313 57.344 56.100 -0.114 0.000 0.948 345 R CB -0.292 29.953 30.300 -0.092 0.000 0.845 345 R HN 0.066 nan 8.270 nan 0.000 0.430 346 V N 1.034 120.844 119.914 -0.173 0.000 2.343 346 V HA -0.218 3.998 4.120 0.160 0.000 0.247 346 V C 2.418 178.402 176.094 -0.184 0.000 1.051 346 V CA 1.863 64.058 62.300 -0.176 0.000 1.036 346 V CB -0.709 30.959 31.823 -0.259 0.000 0.654 346 V HN 0.559 nan 8.190 nan 0.000 0.451 347 A N 0.543 123.226 122.820 -0.228 0.000 1.908 347 A HA -0.249 4.167 4.320 0.160 0.000 0.218 347 A C 2.091 179.570 177.584 -0.175 0.000 1.181 347 A CA 2.130 54.028 52.037 -0.233 0.000 0.627 347 A CB -0.660 18.211 19.000 -0.214 0.000 0.818 347 A HN 0.603 nan 8.150 nan 0.000 0.445 348 N N -0.121 118.514 118.700 -0.108 0.000 2.120 348 N HA -0.123 4.713 4.740 0.160 0.000 0.188 348 N C 1.597 177.086 175.510 -0.036 0.000 1.024 348 N CA 1.327 54.349 53.050 -0.047 0.000 0.852 348 N CB -0.375 38.096 38.487 -0.026 0.000 1.003 348 N HN 0.439 nan 8.380 nan 0.000 0.424 349 E N 0.832 121.000 120.200 -0.054 0.000 2.110 349 E HA -0.063 4.383 4.350 0.160 0.000 0.193 349 E C 2.152 178.736 176.600 -0.026 0.000 0.988 349 E CA 0.367 56.746 56.400 -0.035 0.000 0.804 349 E CB -0.282 29.391 29.700 -0.045 0.000 0.745 349 E HN 0.101 nan 8.360 nan 0.000 0.458 350 V N 0.904 120.776 119.914 -0.069 0.000 2.343 350 V HA -0.229 3.987 4.120 0.160 0.000 0.247 350 V C 2.568 178.691 176.094 0.048 0.000 1.051 350 V CA 1.935 64.200 62.300 -0.059 0.000 1.036 350 V CB -0.515 31.193 31.823 -0.192 0.000 0.654 350 V HN 0.249 nan 8.190 nan 0.000 0.451 351 S N -0.608 115.108 115.700 0.026 0.000 2.368 351 S HA -0.239 4.327 4.470 0.160 0.000 0.225 351 S C 2.234 176.959 174.600 0.208 0.000 1.030 351 S CA 1.778 60.138 58.200 0.266 0.000 0.999 351 S CB -0.317 63.012 63.200 0.214 0.000 0.844 351 S HN 0.525 nan 8.310 nan 0.000 0.459 352 R N 0.163 120.727 120.500 0.105 0.000 2.081 352 R HA -0.050 4.386 4.340 0.160 0.000 0.235 352 R C 2.142 178.485 176.300 0.073 0.000 1.131 352 R CA 1.748 57.893 56.100 0.075 0.000 0.960 352 R CB -0.488 29.836 30.300 0.040 0.000 0.856 352 R HN 0.391 nan 8.270 nan 0.000 0.436 353 V N 0.938 120.895 119.914 0.071 0.000 2.358 353 V HA -0.191 4.025 4.120 0.160 0.000 0.246 353 V C 2.457 178.602 176.094 0.085 0.000 1.047 353 V CA 1.821 64.159 62.300 0.063 0.000 1.035 353 V CB -0.649 31.203 31.823 0.048 0.000 0.658 353 V HN 0.510 nan 8.190 nan 0.000 0.452 354 A N 0.041 122.946 122.820 0.141 0.000 1.978 354 A HA -0.216 4.200 4.320 0.160 0.000 0.220 354 A C 2.252 179.876 177.584 0.065 0.000 1.170 354 A CA 1.648 53.767 52.037 0.137 0.000 0.636 354 A CB -0.450 18.719 19.000 0.281 0.000 0.810 354 A HN 0.560 nan 8.150 nan 0.000 0.448 355 R N -1.409 119.135 120.500 0.074 0.000 2.310 355 R HA 0.376 4.812 4.340 0.160 0.000 0.202 355 R C 0.835 177.151 176.300 0.027 0.000 0.933 355 R CA 0.506 56.628 56.100 0.036 0.000 1.054 355 R CB -0.212 30.117 30.300 0.048 0.000 0.985 355 R HN 0.655 nan 8.270 nan 0.000 0.489 356 A N 0.893 123.733 122.820 0.034 0.000 2.822 356 A HA -0.191 4.225 4.320 0.160 0.000 0.287 356 A C 0.258 177.856 177.584 0.023 0.000 1.479 356 A CA 0.502 52.555 52.037 0.027 0.000 0.779 356 A CB -2.188 16.822 19.000 0.017 0.000 1.022 356 A HN 0.261 nan 8.150 nan 0.000 0.532 357 L N 0.000 121.240 121.223 0.028 0.000 2.949 357 L HA 0.000 4.436 4.340 0.160 0.000 0.249 357 L CA 0.000 54.854 54.840 0.023 0.000 0.813 357 L CB 0.000 42.075 42.059 0.027 0.000 0.961 357 L HN 0.000 nan 8.230 nan 0.000 0.502