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 2f25_1_B DATA FIRST_RESID 1 DATA SEQUENCE MASLPVLQKE SVFQSGAHAY RIPALLYLPG QQSLLAFAEQ RASKKDEHAE DATA SEQUENCE LIVLRRGDYD APTHQVQWQA QEVVAQARLD GHRSMNPCPL YDAQTGTLFL DATA SEQUENCE FFIAIPGQVT QQQQLQTRAN VTRLCQVTST DHGRTWSSPR DLTDAAIGPA DATA SEQUENCE YREWSTFAVG PGHCLQLNDR ARSLVVPAYA YRKLHPIQRP IPSAFCFLSH DATA SEQUENCE DHGRTWARGH FVAQDTLECQ VAEVEXXXQR VVTLNARSHL RARVQAQSTN DATA SEQUENCE DGLDFQESQL VKKLVEPPPQ GCQGSVISFP SPRXXXXSPA QWLLYTHPTH DATA SEQUENCE SWQRADLGAY LNPRPPAPEA WSEPVLLAKG SCAYSDLQSM GTGPDGSPLF DATA SEQUENCE GCLYEANDYE EIVFLMFTLK QAFPAEY 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.284 176.300 -0.027 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 1 M CB 0.000 32.592 32.600 -0.014 0.000 1.302 2 A N 1.447 124.249 122.820 -0.030 0.000 2.332 2 A HA 0.692 5.012 4.320 -0.000 0.000 0.258 2 A C 0.554 178.107 177.584 -0.051 0.000 1.087 2 A CA 0.166 52.183 52.037 -0.032 0.000 0.802 2 A CB 0.042 19.026 19.000 -0.027 0.000 1.042 2 A HN 0.673 nan 8.150 nan 0.000 0.489 3 S N 0.609 116.275 115.700 -0.056 0.000 2.617 3 S HA 0.392 4.862 4.470 -0.000 0.000 0.259 3 S C 0.198 174.738 174.600 -0.100 0.000 1.301 3 S CA -0.586 57.562 58.200 -0.087 0.000 0.984 3 S CB 0.133 63.283 63.200 -0.084 0.000 0.954 3 S HN 1.128 nan 8.310 nan 0.000 0.572 4 L N 2.364 123.498 121.223 -0.149 0.000 2.540 4 L HA 0.285 4.625 4.340 -0.000 0.000 0.276 4 L C -2.129 174.670 176.870 -0.119 0.000 1.212 4 L CA -1.140 53.599 54.840 -0.168 0.000 0.893 4 L CB -0.311 41.580 42.059 -0.280 0.000 1.138 4 L HN 0.508 nan 8.230 nan 0.000 0.491 5 P HA 0.213 nan 4.420 nan 0.000 0.282 5 P C -0.898 176.383 177.300 -0.031 0.000 1.262 5 P CA -0.225 62.850 63.100 -0.042 0.000 0.773 5 P CB 1.131 32.813 31.700 -0.030 0.000 0.879 6 V N 1.397 121.317 119.914 0.009 0.000 3.204 6 V HA 0.364 4.484 4.120 -0.000 0.000 0.316 6 V C 1.536 177.691 176.094 0.103 0.000 1.160 6 V CA -0.848 61.494 62.300 0.070 0.000 1.044 6 V CB 1.019 32.903 31.823 0.100 0.000 1.136 6 V HN 0.298 nan 8.190 nan 0.000 0.455 7 L N -0.400 120.912 121.223 0.148 0.000 2.156 7 L HA 0.208 4.548 4.340 -0.000 0.000 0.208 7 L C 1.168 178.139 176.870 0.168 0.000 1.095 7 L CA 1.447 56.386 54.840 0.165 0.000 0.770 7 L CB -0.086 42.085 42.059 0.187 0.000 0.914 7 L HN 0.909 nan 8.230 nan 0.000 0.439 8 Q N -0.437 119.449 119.800 0.143 0.000 2.438 8 Q HA 0.276 4.616 4.340 -0.000 0.000 0.272 8 Q C -1.440 174.625 176.000 0.109 0.000 0.994 8 Q CA -0.661 55.230 55.803 0.146 0.000 0.887 8 Q CB 1.959 30.834 28.738 0.228 0.000 1.432 8 Q HN -0.078 nan 8.270 nan 0.000 0.392 9 K N 2.745 123.218 120.400 0.122 0.000 2.668 9 K HA 0.365 4.685 4.320 -0.000 0.000 0.246 9 K C -1.927 174.743 176.600 0.117 0.000 0.976 9 K CA -0.223 56.129 56.287 0.107 0.000 0.902 9 K CB 1.493 34.047 32.500 0.091 0.000 1.172 9 K HN 0.653 nan 8.250 nan 0.000 0.452 10 E N 2.582 122.867 120.200 0.142 0.000 2.308 10 E HA 0.269 4.619 4.350 -0.000 0.000 0.275 10 E C -1.349 175.251 176.600 0.001 0.000 0.890 10 E CA -0.720 55.739 56.400 0.097 0.000 0.754 10 E CB 1.821 31.626 29.700 0.175 0.000 1.207 10 E HN 0.417 nan 8.360 nan 0.000 0.426 11 S N 2.837 118.503 115.700 -0.056 0.000 2.430 11 S HA 0.073 4.543 4.470 -0.000 0.000 0.282 11 S C 0.998 175.468 174.600 -0.216 0.000 1.186 11 S CA -0.328 57.799 58.200 -0.121 0.000 1.060 11 S CB 0.773 63.922 63.200 -0.086 0.000 0.966 11 S HN 0.500 nan 8.310 nan 0.000 0.501 12 V N 0.616 120.319 119.914 -0.353 0.000 3.590 12 V HA 0.466 4.586 4.120 -0.000 0.000 0.265 12 V C -0.196 175.336 176.094 -0.938 0.000 1.239 12 V CA 0.423 62.300 62.300 -0.706 0.000 1.117 12 V CB -0.756 30.408 31.823 -1.098 0.000 0.818 12 V HN 0.556 nan 8.190 nan 0.000 0.451 13 F N 0.062 119.839 119.950 -0.287 0.000 2.591 13 F HA 0.781 5.307 4.527 -0.000 0.000 0.309 13 F C -0.229 175.432 175.800 -0.231 0.000 1.098 13 F CA -0.756 57.028 58.000 -0.361 0.000 0.937 13 F CB 2.207 40.997 39.000 -0.350 0.000 1.250 13 F HN -0.055 nan 8.300 nan 0.000 0.447 14 Q N 0.623 120.398 119.800 -0.042 0.000 2.416 14 Q HA 0.531 4.870 4.340 -0.000 0.000 0.281 14 Q C -1.005 175.127 176.000 0.220 0.000 1.067 14 Q CA -1.220 54.624 55.803 0.068 0.000 0.809 14 Q CB 2.838 31.588 28.738 0.021 0.000 1.418 14 Q HN 0.725 nan 8.270 nan 0.000 0.411 15 S N -0.279 115.563 115.700 0.236 0.000 2.576 15 S HA 0.744 5.214 4.470 -0.000 0.000 0.276 15 S C 0.275 174.987 174.600 0.186 0.000 1.339 15 S CA 0.512 58.872 58.200 0.265 0.000 1.039 15 S CB 1.307 64.604 63.200 0.162 0.000 0.902 15 S HN 0.845 nan 8.310 nan 0.000 0.516 16 G N 0.816 109.724 108.800 0.181 0.000 3.504 16 G HA2 0.493 4.453 3.960 -0.000 0.000 0.157 16 G HA3 0.493 4.453 3.960 -0.000 0.000 0.157 16 G C 0.825 175.745 174.900 0.034 0.000 1.245 16 G CA 0.106 45.268 45.100 0.104 0.000 1.410 16 G HN 1.110 nan 8.290 nan 0.000 0.731 17 A N -0.495 122.325 122.820 0.002 0.000 2.016 17 A HA 0.363 4.683 4.320 -0.000 0.000 0.217 17 A C 1.008 178.357 177.584 -0.392 0.000 1.162 17 A CA 0.952 52.874 52.037 -0.192 0.000 0.662 17 A CB -0.407 18.454 19.000 -0.230 0.000 0.812 17 A HN 0.487 nan 8.150 nan 0.000 0.450 18 H N -2.231 116.838 119.070 -0.002 0.000 2.855 18 H HA 0.675 5.231 4.556 -0.000 0.000 0.363 18 H C -0.404 174.790 175.328 -0.224 0.000 1.185 18 H CA -0.261 55.683 56.048 -0.174 0.000 1.174 18 H CB 1.723 31.275 29.762 -0.351 0.000 1.857 18 H HN 0.246 nan 8.280 nan 0.000 0.565 19 A N 0.937 123.629 122.820 -0.213 0.000 2.311 19 A HA 0.645 4.964 4.320 -0.000 0.000 0.334 19 A C -1.610 175.674 177.584 -0.500 0.000 1.139 19 A CA -0.486 51.455 52.037 -0.161 0.000 0.830 19 A CB 0.744 19.707 19.000 -0.063 0.000 1.234 19 A HN 0.556 nan 8.150 nan 0.000 0.483 20 Y N 0.355 120.655 120.300 0.001 0.000 2.361 20 Y HA 0.660 5.210 4.550 -0.000 0.000 0.337 20 Y C 0.512 176.362 175.900 -0.082 0.000 0.965 20 Y CA -0.364 57.681 58.100 -0.091 0.000 1.091 20 Y CB 2.052 40.435 38.460 -0.129 0.000 1.182 20 Y HN 0.750 nan 8.280 nan 0.000 0.450 21 R N 2.292 122.771 120.500 -0.036 0.000 2.781 21 R HA 0.587 4.927 4.340 -0.000 0.000 0.269 21 R C -1.397 174.860 176.300 -0.073 0.000 1.025 21 R CA -1.177 54.892 56.100 -0.051 0.000 0.914 21 R CB 2.169 32.387 30.300 -0.137 0.000 1.236 21 R HN 0.635 nan 8.270 nan 0.000 0.465 22 I N -0.057 120.478 120.570 -0.058 0.000 7.141 22 I HA -0.135 4.035 4.170 -0.000 0.000 0.126 22 I C -2.355 173.833 176.117 0.118 0.000 1.833 22 I CA -0.299 61.030 61.300 0.049 0.000 2.047 22 I CB -2.184 35.824 38.000 0.015 0.000 3.597 22 I HN 0.514 nan 8.210 nan 0.000 0.172 23 P HA 0.537 nan 4.420 nan 0.000 0.277 23 P C -0.388 177.079 177.300 0.277 0.000 1.240 23 P CA -0.117 63.111 63.100 0.212 0.000 0.798 23 P CB 2.173 34.017 31.700 0.240 0.000 0.979 24 A N 2.480 125.500 122.820 0.334 0.000 2.455 24 A HA 0.646 4.966 4.320 -0.000 0.000 0.300 24 A C -1.705 176.178 177.584 0.499 0.000 1.040 24 A CA -0.596 51.677 52.037 0.393 0.000 0.697 24 A CB 1.199 20.400 19.000 0.335 0.000 1.265 24 A HN 0.502 nan 8.150 nan 0.000 0.407 25 L N 2.097 123.606 121.223 0.477 0.000 2.408 25 L HA 0.894 5.234 4.340 -0.000 0.000 0.268 25 L C -1.673 175.468 176.870 0.453 0.000 0.986 25 L CA -0.652 54.468 54.840 0.467 0.000 0.820 25 L CB 1.859 44.171 42.059 0.421 0.000 1.303 25 L HN 0.743 nan 8.230 nan 0.000 0.411 26 L N 4.703 126.198 121.223 0.454 0.000 2.438 26 L HA 0.500 4.840 4.340 -0.000 0.000 0.270 26 L C -1.834 175.243 176.870 0.345 0.000 0.972 26 L CA -0.298 54.788 54.840 0.411 0.000 0.831 26 L CB 1.682 44.027 42.059 0.476 0.000 1.273 26 L HN 0.606 nan 8.230 nan 0.000 0.405 27 Y N 5.201 125.596 120.300 0.159 0.000 2.323 27 Y HA 0.668 5.218 4.550 -0.000 0.000 0.331 27 Y C -1.095 174.820 175.900 0.025 0.000 1.092 27 Y CA -0.797 57.346 58.100 0.071 0.000 1.150 27 Y CB 1.203 39.689 38.460 0.043 0.000 1.200 27 Y HN 0.528 nan 8.280 nan 0.000 0.472 28 L N 9.550 130.310 121.223 -0.772 0.000 2.313 28 L HA 0.339 4.678 4.340 -0.000 0.000 0.273 28 L C -1.621 174.652 176.870 -0.995 0.000 1.028 28 L CA -1.762 52.628 54.840 -0.749 0.000 0.871 28 L CB 1.502 43.190 42.059 -0.620 0.000 1.242 28 L HN 0.556 nan 8.230 nan 0.000 0.434 29 P HA -0.189 nan 4.420 nan 0.000 0.216 29 P C 1.370 178.514 177.300 -0.260 0.000 1.153 29 P CA 1.634 64.500 63.100 -0.391 0.000 0.858 29 P CB 0.391 32.062 31.700 -0.048 0.000 0.789 30 G N -0.284 108.356 108.800 -0.267 0.000 2.448 30 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.218 30 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.218 30 G C 1.607 176.349 174.900 -0.264 0.000 1.135 30 G CA 0.396 45.374 45.100 -0.203 0.000 0.784 30 G HN 0.260 nan 8.290 nan 0.000 0.543 31 Q N -0.761 118.794 119.800 -0.408 0.000 2.402 31 Q HA 0.091 4.431 4.340 -0.000 0.000 0.206 31 Q C 0.871 176.715 176.000 -0.259 0.000 0.919 31 Q CA 0.348 55.934 55.803 -0.361 0.000 0.923 31 Q CB 0.285 28.731 28.738 -0.487 0.000 1.048 31 Q HN 0.698 nan 8.270 nan 0.000 0.515 32 Q N 1.157 120.777 119.800 -0.300 0.000 2.468 32 Q HA -0.177 4.163 4.340 -0.000 0.000 0.289 32 Q C -0.987 174.977 176.000 -0.060 0.000 1.299 32 Q CA 0.556 56.289 55.803 -0.116 0.000 0.838 32 Q CB -1.138 27.618 28.738 0.031 0.000 1.195 32 Q HN 0.384 nan 8.270 nan 0.000 0.456 33 S N -1.362 114.194 115.700 -0.240 0.000 2.627 33 S HA 0.897 5.367 4.470 -0.000 0.000 0.283 33 S C -0.452 174.099 174.600 -0.082 0.000 1.127 33 S CA -1.131 56.988 58.200 -0.136 0.000 0.863 33 S CB 2.059 65.155 63.200 -0.173 0.000 1.121 33 S HN 0.253 nan 8.310 nan 0.000 0.479 34 L N 0.907 122.095 121.223 -0.058 0.000 2.342 34 L HA 0.620 4.960 4.340 -0.000 0.000 0.271 34 L C -1.076 175.846 176.870 0.087 0.000 1.008 34 L CA -0.923 53.956 54.840 0.065 0.000 0.818 34 L CB 1.694 43.772 42.059 0.031 0.000 1.296 34 L HN 0.567 nan 8.230 nan 0.000 0.427 35 L N 2.498 123.845 121.223 0.208 0.000 2.319 35 L HA 0.670 5.010 4.340 -0.000 0.000 0.281 35 L C -0.292 176.673 176.870 0.159 0.000 1.005 35 L CA -0.534 54.383 54.840 0.129 0.000 0.828 35 L CB 1.772 43.942 42.059 0.186 0.000 1.227 35 L HN 0.649 nan 8.230 nan 0.000 0.415 36 A N 4.293 127.152 122.820 0.066 0.000 2.267 36 A HA 0.787 5.107 4.320 -0.000 0.000 0.315 36 A C -0.938 176.642 177.584 -0.006 0.000 1.297 36 A CA -0.280 51.817 52.037 0.100 0.000 0.865 36 A CB 0.230 19.164 19.000 -0.109 0.000 1.165 36 A HN 0.523 nan 8.150 nan 0.000 0.513 37 F N 1.506 121.588 119.950 0.220 0.000 2.497 37 F HA 0.811 5.338 4.527 -0.000 0.000 0.331 37 F C 0.686 176.490 175.800 0.007 0.000 1.060 37 F CA 0.025 58.097 58.000 0.122 0.000 0.989 37 F CB 2.190 41.236 39.000 0.077 0.000 1.245 37 F HN 0.769 nan 8.300 nan 0.000 0.486 38 A N 0.644 123.491 122.820 0.045 0.000 2.586 38 A HA 0.523 4.843 4.320 -0.000 0.000 0.291 38 A C -1.598 175.901 177.584 -0.141 0.000 1.062 38 A CA -0.908 51.020 52.037 -0.182 0.000 0.666 38 A CB 1.084 19.640 19.000 -0.739 0.000 1.281 38 A HN 0.702 nan 8.150 nan 0.000 0.421 39 E N 0.875 120.998 120.200 -0.128 0.000 2.200 39 E HA 0.325 4.675 4.350 -0.000 0.000 0.283 39 E C -0.488 175.991 176.600 -0.202 0.000 1.015 39 E CA -0.264 56.058 56.400 -0.130 0.000 0.819 39 E CB 1.319 30.955 29.700 -0.108 0.000 1.081 39 E HN 0.511 nan 8.360 nan 0.000 0.397 40 Q N 4.691 124.344 119.800 -0.245 0.000 2.331 40 Q HA 0.212 4.552 4.340 -0.000 0.000 0.257 40 Q C -0.868 174.906 176.000 -0.378 0.000 0.957 40 Q CA -0.521 54.998 55.803 -0.473 0.000 0.923 40 Q CB 0.583 29.081 28.738 -0.400 0.000 1.212 40 Q HN 0.417 nan 8.270 nan 0.000 0.443 41 R N 2.289 122.573 120.500 -0.361 0.000 2.832 41 R HA 0.526 4.866 4.340 -0.000 0.000 0.271 41 R C 0.149 176.428 176.300 -0.035 0.000 0.996 41 R CA -0.297 55.712 56.100 -0.152 0.000 0.977 41 R CB 1.244 31.474 30.300 -0.116 0.000 1.168 41 R HN 0.677 nan 8.270 nan 0.000 0.482 42 A N 0.726 123.559 122.820 0.023 0.000 2.119 42 A HA -0.041 4.278 4.320 -0.000 0.000 0.217 42 A C 0.792 178.343 177.584 -0.054 0.000 1.153 42 A CA 1.488 53.516 52.037 -0.015 0.000 0.692 42 A CB -0.138 18.782 19.000 -0.133 0.000 0.799 42 A HN 0.773 nan 8.150 nan 0.000 0.458 43 S N -2.803 112.912 115.700 0.025 0.000 2.661 43 S HA 0.366 4.836 4.470 -0.000 0.000 0.268 43 S C 0.113 174.734 174.600 0.035 0.000 1.162 43 S CA -0.206 58.026 58.200 0.053 0.000 0.817 43 S CB 0.340 63.639 63.200 0.166 0.000 1.141 43 S HN 0.101 nan 8.310 nan 0.000 0.477 44 K N 0.522 120.929 120.400 0.013 0.000 2.283 44 K HA 0.062 4.382 4.320 -0.000 0.000 0.202 44 K C 0.067 176.594 176.600 -0.123 0.000 1.048 44 K CA 0.647 56.899 56.287 -0.058 0.000 0.948 44 K CB -0.192 32.285 32.500 -0.038 0.000 0.742 44 K HN 0.337 nan 8.250 nan 0.000 0.458 45 K N 1.993 122.343 120.400 -0.083 0.000 2.451 45 K HA -0.049 4.271 4.320 -0.000 0.000 0.280 45 K C 0.255 176.735 176.600 -0.200 0.000 1.020 45 K CA 0.293 56.462 56.287 -0.196 0.000 1.008 45 K CB 0.557 32.830 32.500 -0.379 0.000 0.917 45 K HN 0.024 nan 8.250 nan 0.000 0.478 46 D N 2.372 122.651 120.400 -0.201 0.000 2.123 46 D HA -0.210 4.430 4.640 -0.000 0.000 0.196 46 D C 1.516 177.736 176.300 -0.135 0.000 0.992 46 D CA 1.543 55.449 54.000 -0.156 0.000 0.833 46 D CB 0.142 40.864 40.800 -0.131 0.000 0.954 46 D HN 0.704 nan 8.370 nan 0.000 0.455 47 E N 0.008 120.088 120.200 -0.199 0.000 2.333 47 E HA -0.187 4.163 4.350 -0.000 0.000 0.198 47 E C 0.815 177.374 176.600 -0.067 0.000 1.007 47 E CA 0.872 57.172 56.400 -0.167 0.000 0.845 47 E CB -0.306 29.255 29.700 -0.231 0.000 0.766 47 E HN 0.362 nan 8.360 nan 0.000 0.507 48 H N 0.729 119.762 119.070 -0.062 0.000 2.517 48 H HA 0.424 4.979 4.556 -0.000 0.000 0.282 48 H C 0.436 175.723 175.328 -0.068 0.000 1.023 48 H CA -0.079 55.934 56.048 -0.058 0.000 1.169 48 H CB -0.226 29.501 29.762 -0.057 0.000 1.454 48 H HN 0.257 nan 8.280 nan 0.000 0.556 49 A N 0.721 123.556 122.820 0.025 0.000 2.406 49 A HA 0.228 4.548 4.320 -0.000 0.000 0.243 49 A C 0.669 178.239 177.584 -0.024 0.000 1.082 49 A CA 0.056 52.075 52.037 -0.030 0.000 0.786 49 A CB 0.794 19.767 19.000 -0.045 0.000 1.029 49 A HN 0.507 nan 8.150 nan 0.000 0.495 50 E N 0.386 120.548 120.200 -0.063 0.000 3.762 50 E HA 0.361 4.711 4.350 -0.000 0.000 0.198 50 E C -0.442 176.114 176.600 -0.073 0.000 1.298 50 E CA -0.395 55.969 56.400 -0.059 0.000 1.439 50 E CB 0.131 29.782 29.700 -0.082 0.000 2.030 50 E HN 0.554 nan 8.360 nan 0.000 0.547 51 L N 1.028 122.177 121.223 -0.123 0.000 2.257 51 L HA 0.579 4.919 4.340 -0.000 0.000 0.257 51 L C -0.692 176.093 176.870 -0.143 0.000 1.033 51 L CA -1.075 53.686 54.840 -0.131 0.000 0.835 51 L CB 1.892 43.873 42.059 -0.129 0.000 1.398 51 L HN 0.073 nan 8.230 nan 0.000 0.429 52 I N 1.452 121.927 120.570 -0.159 0.000 2.404 52 I HA 0.417 4.587 4.170 -0.000 0.000 0.293 52 I C -0.322 175.756 176.117 -0.065 0.000 0.992 52 I CA -0.821 60.404 61.300 -0.125 0.000 1.149 52 I CB 1.907 39.789 38.000 -0.196 0.000 1.315 52 I HN 0.249 nan 8.210 nan 0.000 0.446 53 V N 4.519 124.429 119.914 -0.006 0.000 2.994 53 V HA 0.781 4.901 4.120 -0.000 0.000 0.318 53 V C -0.831 175.321 176.094 0.097 0.000 1.085 53 V CA -0.803 61.528 62.300 0.052 0.000 0.998 53 V CB 2.114 34.005 31.823 0.113 0.000 1.063 53 V HN 0.612 nan 8.190 nan 0.000 0.447 54 L N 1.567 122.836 121.223 0.076 0.000 2.466 54 L HA 0.792 5.132 4.340 -0.000 0.000 0.258 54 L C -0.764 176.106 176.870 -0.000 0.000 0.973 54 L CA -0.475 54.322 54.840 -0.071 0.000 0.826 54 L CB 2.327 44.228 42.059 -0.262 0.000 1.372 54 L HN 0.864 nan 8.230 nan 0.000 0.409 55 R N 2.907 123.386 120.500 -0.034 0.000 2.575 55 R HA 0.532 4.872 4.340 -0.000 0.000 0.293 55 R C -1.177 175.223 176.300 0.166 0.000 0.983 55 R CA -0.897 55.222 56.100 0.032 0.000 0.887 55 R CB 2.464 32.694 30.300 -0.116 0.000 1.184 55 R HN 0.629 nan 8.270 nan 0.000 0.445 56 R N 1.294 121.878 120.500 0.141 0.000 2.265 56 R HA 0.416 4.756 4.340 -0.000 0.000 0.319 56 R C -0.609 175.664 176.300 -0.045 0.000 1.006 56 R CA -0.287 55.852 56.100 0.065 0.000 0.880 56 R CB 1.369 31.669 30.300 -0.000 0.000 1.077 56 R HN 0.803 nan 8.270 nan 0.000 0.454 57 G N 2.879 111.447 108.800 -0.387 0.000 2.415 57 G HA2 0.285 4.245 3.960 -0.000 0.000 0.327 57 G HA3 0.285 4.245 3.960 -0.000 0.000 0.327 57 G C -1.180 173.365 174.900 -0.592 0.000 1.182 57 G CA -0.533 43.954 45.100 -1.022 0.000 0.924 57 G HN 0.619 nan 8.290 nan 0.000 0.470 58 D N 0.613 120.732 120.400 -0.469 0.000 2.344 58 D HA 0.170 4.810 4.640 -0.000 0.000 0.239 58 D C -1.002 175.183 176.300 -0.191 0.000 1.064 58 D CA -0.204 53.648 54.000 -0.247 0.000 0.829 58 D CB 2.354 43.043 40.800 -0.185 0.000 1.129 58 D HN 0.365 nan 8.370 nan 0.000 0.506 59 Y N 1.737 121.935 120.300 -0.169 0.000 2.393 59 Y HA 0.146 4.696 4.550 -0.000 0.000 0.338 59 Y C -0.193 175.661 175.900 -0.076 0.000 1.029 59 Y CA -0.333 57.704 58.100 -0.105 0.000 1.239 59 Y CB 0.725 39.171 38.460 -0.023 0.000 1.170 59 Y HN 0.217 nan 8.280 nan 0.000 0.515 60 D N 4.794 124.788 120.400 -0.676 0.000 2.329 60 D HA 0.416 5.056 4.640 -0.000 0.000 0.232 60 D C 0.581 176.467 176.300 -0.690 0.000 1.088 60 D CA 0.250 53.952 54.000 -0.496 0.000 0.835 60 D CB 1.441 42.032 40.800 -0.348 0.000 1.078 60 D HN 0.726 nan 8.370 nan 0.000 0.495 61 A N 5.061 127.681 122.820 -0.333 0.000 1.877 61 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 61 A C -0.374 177.159 177.584 -0.086 0.000 1.186 61 A CA 0.976 52.944 52.037 -0.115 0.000 0.620 61 A CB -1.317 17.721 19.000 0.063 0.000 0.822 61 A HN 0.591 nan 8.150 nan 0.000 0.443 62 P HA -0.124 nan 4.420 nan 0.000 0.215 62 P C 1.480 178.710 177.300 -0.117 0.000 1.153 62 P CA 2.104 65.162 63.100 -0.070 0.000 0.853 62 P CB -0.145 31.509 31.700 -0.077 0.000 0.788 63 T N -4.705 109.698 114.554 -0.252 0.000 3.069 63 T HA -0.006 4.344 4.350 -0.000 0.000 0.252 63 T C 0.609 174.811 174.700 -0.831 0.000 1.053 63 T CA -0.187 61.638 62.100 -0.458 0.000 0.964 63 T CB -1.149 67.512 68.868 -0.344 0.000 1.005 63 T HN 0.381 nan 8.240 nan 0.000 0.532 64 H N 1.190 120.116 119.070 -0.240 0.000 2.506 64 H HA -0.130 4.426 4.556 -0.000 0.000 0.323 64 H C -1.161 174.086 175.328 -0.135 0.000 1.076 64 H CA 0.460 56.373 56.048 -0.224 0.000 1.108 64 H CB -2.390 27.395 29.762 0.039 0.000 1.569 64 H HN 0.475 nan 8.280 nan 0.000 0.399 65 Q N 0.239 119.860 119.800 -0.298 0.000 2.421 65 Q HA 0.628 4.968 4.340 -0.000 0.000 0.280 65 Q C -0.293 175.614 176.000 -0.155 0.000 1.085 65 Q CA -1.049 54.688 55.803 -0.110 0.000 0.807 65 Q CB 3.272 31.930 28.738 -0.133 0.000 1.405 65 Q HN 0.199 nan 8.270 nan 0.000 0.419 66 V N 1.630 121.536 119.914 -0.015 0.000 2.435 66 V HA 0.318 4.438 4.120 -0.000 0.000 0.290 66 V C -0.280 175.620 176.094 -0.323 0.000 1.030 66 V CA -0.558 61.613 62.300 -0.216 0.000 0.881 66 V CB 1.697 33.330 31.823 -0.316 0.000 0.983 66 V HN 0.653 nan 8.190 nan 0.000 0.445 67 Q N 3.836 123.396 119.800 -0.400 0.000 2.325 67 Q HA 0.382 4.722 4.340 -0.000 0.000 0.262 67 Q C -1.704 174.050 176.000 -0.410 0.000 0.968 67 Q CA -0.546 55.091 55.803 -0.278 0.000 0.877 67 Q CB 1.194 29.830 28.738 -0.169 0.000 1.253 67 Q HN 0.705 nan 8.270 nan 0.000 0.448 68 W N 3.195 124.413 121.300 -0.136 0.000 2.351 68 W HA 0.320 4.980 4.660 -0.000 0.000 0.311 68 W C 0.175 176.611 176.519 -0.138 0.000 1.168 68 W CA -0.471 56.774 57.345 -0.167 0.000 1.200 68 W CB 0.997 30.320 29.460 -0.228 0.000 1.221 68 W HN 0.530 nan 8.180 nan 0.000 0.519 69 Q N 1.878 121.731 119.800 0.089 0.000 2.396 69 Q HA 0.504 4.844 4.340 -0.000 0.000 0.221 69 Q C 0.357 176.379 176.000 0.037 0.000 1.025 69 Q CA -0.631 55.193 55.803 0.034 0.000 0.946 69 Q CB 0.563 29.306 28.738 0.007 0.000 1.224 69 Q HN 0.608 nan 8.270 nan 0.000 0.539 70 A N 1.183 124.008 122.820 0.007 0.000 2.445 70 A HA 0.062 4.382 4.320 -0.000 0.000 0.242 70 A C -0.055 177.522 177.584 -0.011 0.000 1.075 70 A CA -0.285 51.743 52.037 -0.014 0.000 0.777 70 A CB 0.008 19.005 19.000 -0.006 0.000 1.013 70 A HN 0.673 nan 8.150 nan 0.000 0.493 71 Q N 0.930 120.710 119.800 -0.033 0.000 2.352 71 Q HA 0.455 4.795 4.340 -0.000 0.000 0.260 71 Q C -0.435 175.595 176.000 0.050 0.000 0.976 71 Q CA 0.098 55.911 55.803 0.017 0.000 0.881 71 Q CB 0.452 29.224 28.738 0.056 0.000 1.235 71 Q HN 0.751 nan 8.270 nan 0.000 0.419 72 E N 0.432 120.672 120.200 0.067 0.000 2.366 72 E HA 0.459 4.809 4.350 -0.000 0.000 0.278 72 E C -1.292 175.341 176.600 0.055 0.000 0.923 72 E CA -1.108 55.328 56.400 0.060 0.000 0.761 72 E CB 1.428 31.162 29.700 0.056 0.000 1.231 72 E HN 0.403 nan 8.360 nan 0.000 0.443 73 V N 1.728 121.663 119.914 0.035 0.000 2.715 73 V HA 0.052 4.172 4.120 -0.000 0.000 0.299 73 V C 0.223 176.308 176.094 -0.015 0.000 1.054 73 V CA -0.586 61.714 62.300 -0.001 0.000 1.077 73 V CB 1.335 33.144 31.823 -0.023 0.000 0.972 73 V HN 0.580 nan 8.190 nan 0.000 0.484 74 V N 5.227 125.095 119.914 -0.076 0.000 2.222 74 V HA 0.180 4.299 4.120 -0.000 0.000 0.253 74 V C 1.407 177.403 176.094 -0.163 0.000 1.210 74 V CA 0.492 62.700 62.300 -0.154 0.000 1.079 74 V CB -0.191 31.426 31.823 -0.343 0.000 1.265 74 V HN 1.097 nan 8.190 nan 0.000 0.494 75 A N 3.349 126.130 122.820 -0.065 0.000 1.927 75 A HA -0.229 4.090 4.320 -0.000 0.000 0.220 75 A C 2.083 179.632 177.584 -0.058 0.000 1.185 75 A CA 1.649 53.659 52.037 -0.045 0.000 0.639 75 A CB -0.228 18.775 19.000 0.005 0.000 0.820 75 A HN 0.663 nan 8.150 nan 0.000 0.451 76 Q N -0.794 118.976 119.800 -0.050 0.000 2.369 76 Q HA 0.080 4.420 4.340 -0.000 0.000 0.206 76 Q C 1.274 177.222 176.000 -0.086 0.000 0.963 76 Q CA 0.897 56.688 55.803 -0.020 0.000 0.894 76 Q CB -0.507 28.269 28.738 0.064 0.000 0.965 76 Q HN 0.617 nan 8.270 nan 0.000 0.475 77 A N 2.445 125.087 122.820 -0.297 0.000 3.063 77 A HA 0.258 4.578 4.320 -0.000 0.000 0.263 77 A C 0.089 177.323 177.584 -0.583 0.000 1.736 77 A CA -0.213 51.409 52.037 -0.691 0.000 1.408 77 A CB -0.751 17.592 19.000 -1.094 0.000 1.108 77 A HN 0.296 nan 8.150 nan 0.000 0.621 78 R N -0.581 119.903 120.500 -0.028 0.000 2.728 78 R HA 0.692 5.031 4.340 -0.000 0.000 0.274 78 R C -1.990 174.394 176.300 0.141 0.000 1.032 78 R CA -1.008 55.159 56.100 0.112 0.000 0.866 78 R CB 0.807 31.107 30.300 0.000 0.000 1.263 78 R HN 0.124 nan 8.270 nan 0.000 0.475 79 L N 0.787 122.069 121.223 0.099 0.000 2.381 79 L HA 0.397 4.737 4.340 -0.000 0.000 0.268 79 L C -0.434 176.494 176.870 0.096 0.000 0.997 79 L CA -1.237 53.602 54.840 -0.002 0.000 0.818 79 L CB 2.002 43.892 42.059 -0.282 0.000 1.310 79 L HN 0.704 nan 8.230 nan 0.000 0.416 80 D N 1.861 122.321 120.400 0.099 0.000 2.583 80 D HA -0.006 4.634 4.640 -0.000 0.000 0.232 80 D C 1.179 177.638 176.300 0.265 0.000 1.128 80 D CA 1.806 55.889 54.000 0.138 0.000 0.859 80 D CB 1.097 41.953 40.800 0.094 0.000 1.169 80 D HN 0.827 nan 8.370 nan 0.000 0.481 81 G N 2.954 111.850 108.800 0.161 0.000 2.175 81 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.265 81 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.265 81 G C 0.085 174.994 174.900 0.015 0.000 0.979 81 G CA 0.929 46.080 45.100 0.084 0.000 0.663 81 G HN 0.751 nan 8.290 nan 0.000 0.533 82 H N -0.554 118.535 119.070 0.032 0.000 2.621 82 H HA 0.700 5.256 4.556 -0.000 0.000 0.360 82 H C 0.601 175.950 175.328 0.034 0.000 1.163 82 H CA -0.443 55.628 56.048 0.037 0.000 1.194 82 H CB 0.939 30.733 29.762 0.054 0.000 1.649 82 H HN 0.554 nan 8.280 nan 0.000 0.532 83 R N 0.793 121.375 120.500 0.138 0.000 2.407 83 R HA 0.672 5.012 4.340 -0.000 0.000 0.303 83 R C -0.929 175.432 176.300 0.102 0.000 0.981 83 R CA -0.754 55.393 56.100 0.078 0.000 0.905 83 R CB 1.072 31.392 30.300 0.034 0.000 1.099 83 R HN 0.381 nan 8.270 nan 0.000 0.459 84 S N 3.618 119.359 115.700 0.068 0.000 2.554 84 S HA 0.513 4.983 4.470 -0.000 0.000 0.278 84 S C -0.251 174.377 174.600 0.047 0.000 1.242 84 S CA -0.611 57.647 58.200 0.098 0.000 1.051 84 S CB 0.929 64.119 63.200 -0.018 0.000 0.986 84 S HN 0.559 nan 8.310 nan 0.000 0.502 85 M N 1.797 121.453 119.600 0.094 0.000 2.683 85 M HA 0.451 4.931 4.480 -0.000 0.000 0.274 85 M C -0.679 175.673 176.300 0.087 0.000 1.272 85 M CA -0.735 54.595 55.300 0.049 0.000 0.833 85 M CB 1.514 34.128 32.600 0.023 0.000 1.708 85 M HN 0.615 nan 8.290 nan 0.000 0.463 86 N N 1.160 119.905 118.700 0.074 0.000 2.648 86 N HA -0.089 4.651 4.740 -0.000 0.000 0.265 86 N C -2.670 172.905 175.510 0.109 0.000 1.100 86 N CA 0.076 53.188 53.050 0.103 0.000 0.715 86 N CB -1.074 37.471 38.487 0.096 0.000 0.881 86 N HN 0.350 nan 8.380 nan 0.000 0.548 87 P HA 0.139 nan 4.420 nan 0.000 0.271 87 P C -0.279 177.025 177.300 0.006 0.000 1.220 87 P CA 0.034 63.120 63.100 -0.023 0.000 0.768 87 P CB 0.727 32.379 31.700 -0.080 0.000 0.848 88 C N 5.978 125.281 119.300 0.005 0.000 2.801 88 C HA 0.353 4.813 4.460 -0.000 0.000 0.296 88 C C -2.180 172.899 174.990 0.149 0.000 1.054 88 C CA -1.582 57.505 59.018 0.115 0.000 1.442 88 C CB 1.371 29.229 27.740 0.197 0.000 1.860 88 C HN 0.495 nan 8.230 nan 0.000 0.459 89 P HA 0.623 nan 4.420 nan 0.000 0.281 89 P C -1.090 176.446 177.300 0.392 0.000 1.249 89 P CA -0.236 62.973 63.100 0.182 0.000 0.810 89 P CB 2.123 33.932 31.700 0.182 0.000 1.008 90 L N 2.864 124.370 121.223 0.472 0.000 2.545 90 L HA 0.513 4.853 4.340 -0.000 0.000 0.258 90 L C -2.122 175.113 176.870 0.609 0.000 0.942 90 L CA -0.968 54.185 54.840 0.521 0.000 0.855 90 L CB 1.832 44.206 42.059 0.524 0.000 1.374 90 L HN 0.295 nan 8.230 nan 0.000 0.411 91 Y N 3.494 124.029 120.300 0.392 0.000 2.341 91 Y HA 0.515 5.065 4.550 -0.000 0.000 0.338 91 Y C -0.770 175.327 175.900 0.328 0.000 0.965 91 Y CA -0.755 57.560 58.100 0.358 0.000 1.108 91 Y CB 1.286 39.910 38.460 0.273 0.000 1.180 91 Y HN 0.708 nan 8.280 nan 0.000 0.458 92 D N 4.944 125.167 120.400 -0.294 0.000 2.380 92 D HA 0.261 4.901 4.640 -0.000 0.000 0.230 92 D C 0.581 176.494 176.300 -0.645 0.000 1.154 92 D CA 0.307 54.171 54.000 -0.227 0.000 0.859 92 D CB 1.525 42.393 40.800 0.113 0.000 1.045 92 D HN 0.831 nan 8.370 nan 0.000 0.495 93 A N 3.810 126.410 122.820 -0.365 0.000 2.121 93 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 93 A C 1.847 179.392 177.584 -0.064 0.000 1.154 93 A CA 1.145 53.077 52.037 -0.175 0.000 0.679 93 A CB -0.166 18.876 19.000 0.070 0.000 0.795 93 A HN 0.671 nan 8.150 nan 0.000 0.458 94 Q N -0.647 119.118 119.800 -0.057 0.000 2.259 94 Q HA -0.082 4.258 4.340 -0.000 0.000 0.201 94 Q C 1.985 177.913 176.000 -0.120 0.000 0.938 94 Q CA 1.648 57.423 55.803 -0.047 0.000 0.872 94 Q CB 0.036 28.778 28.738 0.008 0.000 0.971 94 Q HN 0.682 nan 8.270 nan 0.000 0.494 95 T N -4.566 109.886 114.554 -0.170 0.000 3.040 95 T HA 0.297 4.647 4.350 -0.000 0.000 0.252 95 T C 1.334 175.978 174.700 -0.093 0.000 1.064 95 T CA 0.704 62.705 62.100 -0.165 0.000 1.110 95 T CB 0.589 69.345 68.868 -0.187 0.000 0.921 95 T HN 0.469 nan 8.240 nan 0.000 0.480 96 G N 1.053 109.784 108.800 -0.115 0.000 2.157 96 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.239 96 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.239 96 G C 0.120 175.025 174.900 0.009 0.000 0.982 96 G CA 0.089 45.189 45.100 0.001 0.000 0.650 96 G HN 0.759 nan 8.290 nan 0.000 0.527 97 T N 0.934 115.448 114.554 -0.068 0.000 2.889 97 T HA 0.595 4.944 4.350 -0.000 0.000 0.291 97 T C 0.211 174.924 174.700 0.022 0.000 0.995 97 T CA -0.159 61.880 62.100 -0.102 0.000 1.092 97 T CB 2.273 71.030 68.868 -0.185 0.000 0.954 97 T HN 0.462 nan 8.240 nan 0.000 0.506 98 L N 3.343 124.539 121.223 -0.045 0.000 2.329 98 L HA 0.675 5.014 4.340 -0.000 0.000 0.279 98 L C -1.504 175.372 176.870 0.011 0.000 1.014 98 L CA -0.884 54.078 54.840 0.203 0.000 0.814 98 L CB 0.749 42.896 42.059 0.147 0.000 1.257 98 L HN 0.586 nan 8.230 nan 0.000 0.424 99 F N 4.809 124.911 119.950 0.253 0.000 2.508 99 F HA 0.534 5.061 4.527 -0.000 0.000 0.325 99 F C -0.505 175.278 175.800 -0.028 0.000 1.090 99 F CA -0.768 57.258 58.000 0.044 0.000 0.945 99 F CB 2.011 40.913 39.000 -0.163 0.000 1.156 99 F HN 0.238 nan 8.300 nan 0.000 0.463 100 L N 4.066 125.243 121.223 -0.076 0.000 2.415 100 L HA 0.591 4.931 4.340 -0.000 0.000 0.268 100 L C -1.749 174.959 176.870 -0.271 0.000 0.984 100 L CA -0.417 54.277 54.840 -0.242 0.000 0.853 100 L CB 0.341 42.087 42.059 -0.522 0.000 1.215 100 L HN 0.359 nan 8.230 nan 0.000 0.419 101 F N 5.753 125.764 119.950 0.101 0.000 2.397 101 F HA 0.790 5.317 4.527 -0.000 0.000 0.331 101 F C 0.094 175.987 175.800 0.154 0.000 1.090 101 F CA -0.297 57.733 58.000 0.050 0.000 1.065 101 F CB 1.392 40.340 39.000 -0.086 0.000 1.184 101 F HN 0.488 nan 8.300 nan 0.000 0.499 102 F N 0.432 120.417 119.950 0.058 0.000 2.858 102 F HA 0.736 5.263 4.527 -0.000 0.000 0.319 102 F C -1.751 174.048 175.800 -0.003 0.000 1.166 102 F CA -1.966 56.030 58.000 -0.007 0.000 0.899 102 F CB 1.038 39.994 39.000 -0.073 0.000 1.332 102 F HN 0.409 nan 8.300 nan 0.000 0.461 103 I N 0.510 121.107 120.570 0.045 0.000 2.693 103 I HA 0.988 5.158 4.170 -0.000 0.000 0.303 103 I C -1.024 175.130 176.117 0.062 0.000 1.025 103 I CA -1.221 60.026 61.300 -0.087 0.000 1.086 103 I CB 2.023 39.914 38.000 -0.181 0.000 1.268 103 I HN 0.990 nan 8.210 nan 0.000 0.440 104 A N 6.378 129.207 122.820 0.015 0.000 2.343 104 A HA 0.849 5.169 4.320 -0.000 0.000 0.308 104 A C -0.857 176.861 177.584 0.223 0.000 1.092 104 A CA -0.569 51.550 52.037 0.138 0.000 0.751 104 A CB 0.998 20.030 19.000 0.055 0.000 1.203 104 A HN 0.717 nan 8.150 nan 0.000 0.452 105 I N 2.692 123.391 120.570 0.214 0.000 2.509 105 I HA 0.347 4.517 4.170 -0.000 0.000 0.293 105 I C -2.514 173.606 176.117 0.004 0.000 1.020 105 I CA -2.534 58.848 61.300 0.137 0.000 1.088 105 I CB 2.653 40.673 38.000 0.034 0.000 1.267 105 I HN 0.357 nan 8.210 nan 0.000 0.430 106 P HA 0.015 nan 4.420 nan 0.000 0.263 106 P C 0.808 178.015 177.300 -0.154 0.000 1.195 106 P CA 0.723 63.611 63.100 -0.352 0.000 0.762 106 P CB 0.512 32.048 31.700 -0.273 0.000 0.799 107 G N 4.297 113.018 108.800 -0.133 0.000 2.674 107 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.375 107 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.375 107 G C 0.781 175.667 174.900 -0.024 0.000 1.175 107 G CA 0.483 45.549 45.100 -0.056 0.000 0.925 107 G HN 0.510 nan 8.290 nan 0.000 0.606 108 Q N 0.010 119.801 119.800 -0.014 0.000 2.319 108 Q HA 0.273 4.613 4.340 -0.000 0.000 0.202 108 Q C 1.249 177.237 176.000 -0.020 0.000 0.896 108 Q CA 0.071 55.876 55.803 0.002 0.000 0.942 108 Q CB 0.276 29.029 28.738 0.025 0.000 1.083 108 Q HN 0.420 nan 8.270 nan 0.000 0.510 109 V N 3.775 123.671 119.914 -0.030 0.000 2.555 109 V HA -0.083 4.037 4.120 -0.000 0.000 0.299 109 V C 1.154 177.225 176.094 -0.038 0.000 1.012 109 V CA 0.744 63.025 62.300 -0.033 0.000 1.180 109 V CB -0.676 31.128 31.823 -0.032 0.000 0.887 109 V HN 0.348 nan 8.190 nan 0.000 0.476 110 T N 1.944 116.470 114.554 -0.046 0.000 2.816 110 T HA 0.180 4.530 4.350 -0.000 0.000 0.282 110 T C 0.921 175.585 174.700 -0.060 0.000 0.993 110 T CA -0.025 62.039 62.100 -0.060 0.000 0.994 110 T CB 1.217 70.042 68.868 -0.071 0.000 1.025 110 T HN 0.651 nan 8.240 nan 0.000 0.529 111 Q N -0.556 119.204 119.800 -0.067 0.000 2.123 111 Q HA -0.145 4.195 4.340 -0.000 0.000 0.199 111 Q C 2.262 178.195 176.000 -0.111 0.000 0.966 111 Q CA 0.793 56.548 55.803 -0.080 0.000 0.845 111 Q CB -0.104 28.599 28.738 -0.059 0.000 0.907 111 Q HN 0.672 nan 8.270 nan 0.000 0.439 112 Q N 0.538 120.282 119.800 -0.093 0.000 2.096 112 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 112 Q C 1.956 177.906 176.000 -0.083 0.000 0.982 112 Q CA 1.823 57.570 55.803 -0.092 0.000 0.850 112 Q CB -0.057 28.639 28.738 -0.071 0.000 0.901 112 Q HN 0.567 nan 8.270 nan 0.000 0.422 113 Q N -0.229 119.531 119.800 -0.066 0.000 2.079 113 Q HA -0.173 4.167 4.340 -0.000 0.000 0.200 113 Q C 2.164 178.134 176.000 -0.051 0.000 0.974 113 Q CA 1.189 56.962 55.803 -0.050 0.000 0.840 113 Q CB -0.089 28.626 28.738 -0.038 0.000 0.898 113 Q HN 0.455 nan 8.270 nan 0.000 0.430 114 Q N 0.357 120.121 119.800 -0.059 0.000 2.124 114 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 114 Q C 2.154 178.106 176.000 -0.079 0.000 0.977 114 Q CA 1.014 56.786 55.803 -0.052 0.000 0.850 114 Q CB -0.053 28.656 28.738 -0.048 0.000 0.901 114 Q HN 0.389 nan 8.270 nan 0.000 0.429 115 L N 0.211 121.351 121.223 -0.137 0.000 2.072 115 L HA -0.192 4.148 4.340 -0.000 0.000 0.205 115 L C 2.329 179.139 176.870 -0.100 0.000 1.079 115 L CA 1.140 55.872 54.840 -0.179 0.000 0.752 115 L CB -0.330 41.557 42.059 -0.286 0.000 0.906 115 L HN 0.265 nan 8.230 nan 0.000 0.436 116 Q N -0.699 119.055 119.800 -0.077 0.000 2.297 116 Q HA -0.129 4.211 4.340 -0.000 0.000 0.204 116 Q C 1.781 177.764 176.000 -0.029 0.000 0.962 116 Q CA 1.768 57.543 55.803 -0.048 0.000 0.879 116 Q CB 0.052 28.765 28.738 -0.042 0.000 0.947 116 Q HN 0.598 nan 8.270 nan 0.000 0.462 117 T N -3.672 110.866 114.554 -0.026 0.000 3.044 117 T HA 0.217 4.567 4.350 -0.000 0.000 0.260 117 T C 0.295 174.994 174.700 -0.001 0.000 1.019 117 T CA -0.495 61.599 62.100 -0.010 0.000 0.921 117 T CB 0.254 69.118 68.868 -0.006 0.000 1.053 117 T HN 0.162 nan 8.240 nan 0.000 0.533 118 R N 0.562 121.057 120.500 -0.008 0.000 3.516 118 R HA -0.140 4.200 4.340 -0.000 0.000 0.271 118 R C -0.163 176.149 176.300 0.020 0.000 1.098 118 R CA 0.546 56.651 56.100 0.009 0.000 0.732 118 R CB -2.381 27.932 30.300 0.021 0.000 1.152 118 R HN 0.653 nan 8.270 nan 0.000 0.455 119 A N 1.336 124.166 122.820 0.016 0.000 2.323 119 A HA 0.382 4.702 4.320 -0.000 0.000 0.305 119 A C -0.313 177.296 177.584 0.041 0.000 1.275 119 A CA -0.694 51.364 52.037 0.034 0.000 0.804 119 A CB 0.944 19.966 19.000 0.036 0.000 1.152 119 A HN 0.231 nan 8.150 nan 0.000 0.487 120 N N 1.942 120.665 118.700 0.038 0.000 2.470 120 N HA 0.288 5.028 4.740 -0.000 0.000 0.268 120 N C 0.413 176.022 175.510 0.165 0.000 1.136 120 N CA 0.322 53.388 53.050 0.028 0.000 0.961 120 N CB 1.273 39.658 38.487 -0.170 0.000 1.067 120 N HN 0.729 nan 8.380 nan 0.000 0.468 121 V N -0.130 119.900 119.914 0.193 0.000 3.276 121 V HA 0.361 4.481 4.120 -0.000 0.000 0.319 121 V C 0.275 176.544 176.094 0.292 0.000 1.476 121 V CA -0.421 62.038 62.300 0.265 0.000 1.097 121 V CB -0.387 31.519 31.823 0.138 0.000 0.988 121 V HN 0.451 nan 8.190 nan 0.000 0.473 122 T N 3.367 118.092 114.554 0.285 0.000 2.889 122 T HA 0.565 4.915 4.350 -0.000 0.000 0.291 122 T C -0.057 174.885 174.700 0.403 0.000 0.995 122 T CA -0.208 61.989 62.100 0.161 0.000 1.092 122 T CB 1.075 69.804 68.868 -0.232 0.000 0.954 122 T HN 0.433 nan 8.240 nan 0.000 0.506 123 R N 1.633 122.268 120.500 0.224 0.000 2.711 123 R HA 0.520 4.860 4.340 -0.000 0.000 0.284 123 R C -1.153 175.250 176.300 0.171 0.000 0.968 123 R CA -1.073 55.178 56.100 0.250 0.000 0.924 123 R CB 1.957 32.277 30.300 0.033 0.000 1.162 123 R HN 0.375 nan 8.270 nan 0.000 0.465 124 L N 2.239 123.595 121.223 0.222 0.000 2.272 124 L HA 0.413 4.753 4.340 -0.000 0.000 0.289 124 L C -0.989 175.726 176.870 -0.258 0.000 1.032 124 L CA -0.036 54.813 54.840 0.015 0.000 0.810 124 L CB 0.797 42.846 42.059 -0.016 0.000 1.205 124 L HN 0.676 nan 8.230 nan 0.000 0.422 125 C N 3.469 122.455 119.300 -0.524 0.000 2.973 125 C HA 0.933 5.393 4.460 -0.000 0.000 0.329 125 C C -0.474 174.203 174.990 -0.522 0.000 1.327 125 C CA -0.683 57.946 59.018 -0.649 0.000 1.632 125 C CB 1.926 29.017 27.740 -1.082 0.000 2.098 125 C HN 0.904 nan 8.230 nan 0.000 0.469 126 Q N -0.011 119.654 119.800 -0.225 0.000 2.522 126 Q HA 0.810 5.150 4.340 -0.000 0.000 0.285 126 Q C -1.685 174.388 176.000 0.122 0.000 0.982 126 Q CA -0.719 55.070 55.803 -0.022 0.000 0.805 126 Q CB 1.786 30.501 28.738 -0.039 0.000 1.457 126 Q HN 0.963 nan 8.270 nan 0.000 0.394 127 V N -1.804 118.178 119.914 0.113 0.000 2.888 127 V HA 0.914 5.034 4.120 -0.000 0.000 0.309 127 V C -0.497 175.742 176.094 0.242 0.000 1.114 127 V CA 0.039 62.450 62.300 0.184 0.000 0.940 127 V CB 1.383 33.308 31.823 0.170 0.000 1.021 127 V HN 1.092 nan 8.190 nan 0.000 0.426 128 T N -0.078 114.585 114.554 0.180 0.000 2.940 128 T HA 0.855 5.205 4.350 -0.000 0.000 0.288 128 T C -0.236 174.411 174.700 -0.089 0.000 1.045 128 T CA -0.461 61.610 62.100 -0.048 0.000 1.018 128 T CB 1.816 70.464 68.868 -0.367 0.000 1.151 128 T HN 1.536 nan 8.240 nan 0.000 0.529 129 S N -0.405 115.085 115.700 -0.351 0.000 2.546 129 S HA 0.533 5.003 4.470 -0.000 0.000 0.272 129 S C 0.464 174.832 174.600 -0.388 0.000 1.140 129 S CA -0.221 57.673 58.200 -0.510 0.000 0.920 129 S CB 1.426 63.990 63.200 -1.059 0.000 1.083 129 S HN 1.082 nan 8.310 nan 0.000 0.476 130 T N -0.204 114.152 114.554 -0.329 0.000 3.054 130 T HA 0.223 4.573 4.350 -0.000 0.000 0.255 130 T C 0.112 174.597 174.700 -0.358 0.000 1.035 130 T CA 0.204 62.130 62.100 -0.290 0.000 0.941 130 T CB -0.297 68.456 68.868 -0.192 0.000 1.026 130 T HN 0.612 nan 8.240 nan 0.000 0.533 131 D N 0.219 120.389 120.400 -0.383 0.000 2.696 131 D HA 0.076 4.716 4.640 -0.000 0.000 0.269 131 D C -0.004 176.132 176.300 -0.272 0.000 1.319 131 D CA -0.775 53.035 54.000 -0.316 0.000 0.826 131 D CB -0.886 39.801 40.800 -0.188 0.000 1.086 131 D HN 0.357 nan 8.370 nan 0.000 0.481 132 H N 0.080 119.030 119.070 -0.199 0.000 2.826 132 H HA -0.099 4.457 4.556 -0.000 0.000 0.306 132 H C 1.432 176.619 175.328 -0.234 0.000 1.235 132 H CA 1.031 56.958 56.048 -0.202 0.000 1.150 132 H CB -1.622 28.030 29.762 -0.184 0.000 1.409 132 H HN 0.662 nan 8.280 nan 0.000 0.420 133 G N -0.697 107.850 108.800 -0.421 0.000 2.195 133 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.246 133 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.246 133 G C 1.420 176.144 174.900 -0.293 0.000 0.984 133 G CA 0.578 45.404 45.100 -0.457 0.000 0.633 133 G HN 0.533 nan 8.290 nan 0.000 0.525 134 R N 0.489 120.835 120.500 -0.257 0.000 2.066 134 R HA 0.123 4.463 4.340 -0.000 0.000 0.232 134 R C 1.441 177.661 176.300 -0.134 0.000 1.131 134 R CA 1.773 57.802 56.100 -0.119 0.000 0.955 134 R CB -0.294 29.950 30.300 -0.094 0.000 0.851 134 R HN 0.672 nan 8.270 nan 0.000 0.432 135 T N -2.466 111.902 114.554 -0.309 0.000 2.900 135 T HA 0.487 4.837 4.350 -0.000 0.000 0.295 135 T C -1.248 173.203 174.700 -0.416 0.000 1.044 135 T CA -0.941 61.043 62.100 -0.192 0.000 0.995 135 T CB 1.628 70.440 68.868 -0.092 0.000 1.072 135 T HN 0.143 nan 8.240 nan 0.000 0.473 136 W N 1.421 122.720 121.300 -0.001 0.000 2.761 136 W HA 0.628 5.288 4.660 -0.000 0.000 0.340 136 W C 0.731 177.242 176.519 -0.013 0.000 1.072 136 W CA -0.774 56.566 57.345 -0.009 0.000 1.215 136 W CB 1.703 31.167 29.460 0.006 0.000 1.420 136 W HN 0.999 nan 8.180 nan 0.000 0.519 137 S N 0.619 116.437 115.700 0.196 0.000 2.606 137 S HA 0.374 4.844 4.470 -0.000 0.000 0.257 137 S C 0.349 175.029 174.600 0.134 0.000 1.327 137 S CA -0.709 57.558 58.200 0.113 0.000 0.984 137 S CB 0.439 63.678 63.200 0.066 0.000 0.941 137 S HN 0.370 nan 8.310 nan 0.000 0.576 138 S N 3.018 118.772 115.700 0.091 0.000 2.579 138 S HA 0.301 4.771 4.470 -0.000 0.000 0.275 138 S C -2.077 172.581 174.600 0.097 0.000 1.345 138 S CA -0.741 57.510 58.200 0.084 0.000 1.031 138 S CB -0.150 63.086 63.200 0.060 0.000 0.892 138 S HN 0.698 nan 8.310 nan 0.000 0.529 139 P HA 0.130 nan 4.420 nan 0.000 0.268 139 P C -0.833 176.509 177.300 0.070 0.000 1.205 139 P CA -0.201 62.973 63.100 0.124 0.000 0.771 139 P CB 0.479 32.276 31.700 0.161 0.000 0.858 140 R N 2.262 122.793 120.500 0.052 0.000 2.409 140 R HA 0.213 4.553 4.340 -0.000 0.000 0.313 140 R C -0.624 175.654 176.300 -0.037 0.000 0.953 140 R CA -0.573 55.543 56.100 0.027 0.000 0.849 140 R CB 0.724 31.067 30.300 0.071 0.000 1.171 140 R HN 0.361 nan 8.270 nan 0.000 0.458 141 D N 5.737 126.105 120.400 -0.053 0.000 2.352 141 D HA 0.058 4.698 4.640 -0.000 0.000 0.245 141 D C 0.838 177.087 176.300 -0.085 0.000 1.224 141 D CA -0.064 53.875 54.000 -0.101 0.000 0.879 141 D CB 0.955 41.697 40.800 -0.095 0.000 1.057 141 D HN 0.632 nan 8.370 nan 0.000 0.491 142 L N 2.854 124.002 121.223 -0.126 0.000 2.599 142 L HA -0.032 4.308 4.340 -0.000 0.000 0.230 142 L C 2.195 178.983 176.870 -0.137 0.000 1.141 142 L CA 0.068 54.828 54.840 -0.133 0.000 0.877 142 L CB -0.244 41.649 42.059 -0.276 0.000 1.009 142 L HN 0.319 nan 8.230 nan 0.000 0.447 143 T N -0.043 114.441 114.554 -0.117 0.000 2.570 143 T HA -0.247 4.103 4.350 -0.000 0.000 0.266 143 T C 1.376 176.015 174.700 -0.102 0.000 1.071 143 T CA 2.053 64.097 62.100 -0.093 0.000 1.172 143 T CB -0.229 68.581 68.868 -0.098 0.000 0.864 143 T HN 0.347 nan 8.240 nan 0.000 0.421 144 D N 1.251 121.588 120.400 -0.105 0.000 2.106 144 D HA -0.053 4.587 4.640 -0.000 0.000 0.191 144 D C 2.299 178.575 176.300 -0.039 0.000 0.997 144 D CA 1.560 55.508 54.000 -0.086 0.000 0.834 144 D CB -0.586 40.171 40.800 -0.072 0.000 0.956 144 D HN 0.460 nan 8.370 nan 0.000 0.448 145 A N 0.040 122.855 122.820 -0.009 0.000 2.067 145 A HA 0.256 4.576 4.320 -0.000 0.000 0.217 145 A C 2.090 179.716 177.584 0.070 0.000 1.156 145 A CA 1.581 53.640 52.037 0.037 0.000 0.683 145 A CB -0.132 18.910 19.000 0.069 0.000 0.808 145 A HN 0.234 nan 8.150 nan 0.000 0.455 146 A N -0.755 122.088 122.820 0.038 0.000 1.973 146 A HA 0.360 4.680 4.320 -0.000 0.000 0.210 146 A C 1.905 179.574 177.584 0.142 0.000 1.200 146 A CA 0.940 53.027 52.037 0.084 0.000 0.707 146 A CB -0.126 18.788 19.000 -0.142 0.000 0.862 146 A HN 0.385 nan 8.150 nan 0.000 0.461 147 I N -1.831 118.763 120.570 0.040 0.000 2.947 147 I HA 0.220 4.390 4.170 -0.000 0.000 0.263 147 I C 2.024 178.079 176.117 -0.103 0.000 1.130 147 I CA 0.644 61.931 61.300 -0.021 0.000 1.448 147 I CB -0.570 37.372 38.000 -0.097 0.000 1.222 147 I HN 0.438 nan 8.210 nan 0.000 0.453 148 G N 2.538 111.292 108.800 -0.077 0.000 2.685 148 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.329 148 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.329 148 G C -1.284 173.560 174.900 -0.093 0.000 1.271 148 G CA 0.742 45.796 45.100 -0.077 0.000 1.003 148 G HN 0.204 nan 8.290 nan 0.000 0.549 149 P HA 0.040 nan 4.420 nan 0.000 0.220 149 P C 1.862 179.066 177.300 -0.160 0.000 1.144 149 P CA 2.687 65.735 63.100 -0.087 0.000 0.800 149 P CB -0.281 31.384 31.700 -0.058 0.000 0.772 150 A N -2.419 120.232 122.820 -0.281 0.000 2.167 150 A HA -0.131 4.189 4.320 -0.000 0.000 0.214 150 A C 1.972 179.019 177.584 -0.896 0.000 1.151 150 A CA 0.480 52.177 52.037 -0.566 0.000 0.735 150 A CB -1.479 17.114 19.000 -0.680 0.000 0.802 150 A HN 0.106 nan 8.150 nan 0.000 0.467 151 Y N 1.827 121.729 120.300 -0.664 0.000 2.114 151 Y HA -0.317 4.233 4.550 -0.000 0.000 0.282 151 Y C 2.552 178.283 175.900 -0.283 0.000 1.165 151 Y CA 2.465 60.269 58.100 -0.493 0.000 1.148 151 Y CB -0.143 38.175 38.460 -0.238 0.000 0.972 151 Y HN 0.494 nan 8.280 nan 0.000 0.504 152 R N 0.027 120.475 120.500 -0.087 0.000 2.285 152 R HA -0.095 4.245 4.340 -0.000 0.000 0.213 152 R C 1.303 177.552 176.300 -0.084 0.000 1.068 152 R CA 1.632 57.705 56.100 -0.045 0.000 1.004 152 R CB -0.583 29.720 30.300 0.005 0.000 0.873 152 R HN 0.429 nan 8.270 nan 0.000 0.467 153 E N -0.112 119.973 120.200 -0.191 0.000 2.478 153 E HA 0.010 4.360 4.350 -0.000 0.000 0.194 153 E C -0.464 176.251 176.600 0.192 0.000 1.045 153 E CA 0.084 56.449 56.400 -0.058 0.000 0.868 153 E CB 0.214 29.858 29.700 -0.093 0.000 0.885 153 E HN 0.272 nan 8.360 nan 0.000 0.505 154 W N -0.031 121.234 121.300 -0.057 0.000 2.632 154 W HA 0.315 4.975 4.660 -0.000 0.000 0.328 154 W C 0.899 177.403 176.519 -0.026 0.000 1.044 154 W CA -1.625 55.708 57.345 -0.020 0.000 1.225 154 W CB 1.074 30.537 29.460 0.004 0.000 1.396 154 W HN -0.227 nan 8.180 nan 0.000 0.499 155 S N 0.682 116.536 115.700 0.257 0.000 2.428 155 S HA -0.008 4.462 4.470 -0.000 0.000 0.230 155 S C 0.631 175.300 174.600 0.115 0.000 1.014 155 S CA 1.346 59.621 58.200 0.125 0.000 0.957 155 S CB 0.175 63.411 63.200 0.060 0.000 0.784 155 S HN 0.585 nan 8.310 nan 0.000 0.499 156 T N -0.500 114.199 114.554 0.241 0.000 2.726 156 T HA 0.475 4.825 4.350 -0.000 0.000 0.314 156 T C -2.164 172.766 174.700 0.384 0.000 1.836 156 T CA -0.753 61.487 62.100 0.233 0.000 0.999 156 T CB 0.382 69.282 68.868 0.054 0.000 1.800 156 T HN 0.224 nan 8.240 nan 0.000 0.507 157 F N -0.122 119.878 119.950 0.083 0.000 2.877 157 F HA 0.953 5.480 4.527 -0.000 0.000 0.319 157 F C -1.357 174.309 175.800 -0.223 0.000 1.174 157 F CA -0.517 57.416 58.000 -0.110 0.000 0.903 157 F CB 0.840 39.843 39.000 0.004 0.000 1.357 157 F HN 1.034 nan 8.300 nan 0.000 0.472 158 A N 0.489 123.029 122.820 -0.467 0.000 2.601 158 A HA 0.733 5.053 4.320 -0.000 0.000 0.291 158 A C -1.649 175.836 177.584 -0.165 0.000 1.075 158 A CA -0.290 51.498 52.037 -0.415 0.000 0.671 158 A CB 1.122 19.872 19.000 -0.417 0.000 1.277 158 A HN 2.031 nan 8.150 nan 0.000 0.417 159 V N -0.505 119.401 119.914 -0.013 0.000 2.667 159 V HA 0.926 5.046 4.120 -0.000 0.000 0.308 159 V C 1.034 177.165 176.094 0.061 0.000 1.048 159 V CA 0.312 62.627 62.300 0.026 0.000 0.928 159 V CB 0.430 32.284 31.823 0.052 0.000 1.004 159 V HN 2.930 nan 8.190 nan 0.000 0.444 160 G N 3.561 112.390 108.800 0.048 0.000 2.611 160 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.301 160 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.301 160 G C -1.987 173.002 174.900 0.149 0.000 1.233 160 G CA 0.252 45.399 45.100 0.079 0.000 0.993 160 G HN 1.023 nan 8.290 nan 0.000 0.553 161 P HA 0.509 nan 4.420 nan 0.000 0.274 161 P C 0.503 177.890 177.300 0.145 0.000 1.246 161 P CA 1.569 64.769 63.100 0.166 0.000 0.795 161 P CB 1.026 32.862 31.700 0.228 0.000 1.006 162 G N -0.131 108.766 108.800 0.162 0.000 2.408 162 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.682 162 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.682 162 G C -0.576 174.429 174.900 0.175 0.000 1.303 162 G CA -0.644 44.575 45.100 0.199 0.000 0.966 162 G HN 1.032 nan 8.290 nan 0.000 0.560 163 H N -0.829 118.379 119.070 0.228 0.000 2.852 163 H HA 0.495 5.051 4.556 -0.000 0.000 0.362 163 H C 0.666 176.128 175.328 0.224 0.000 1.122 163 H CA 0.722 56.920 56.048 0.250 0.000 1.419 163 H CB 0.112 30.042 29.762 0.281 0.000 1.401 163 H HN 0.702 nan 8.280 nan 0.000 0.609 164 C N 2.299 121.736 119.300 0.227 0.000 2.566 164 C HA 0.629 5.089 4.460 -0.000 0.000 0.401 164 C C 0.412 175.546 174.990 0.240 0.000 2.232 164 C CA -0.632 58.481 59.018 0.159 0.000 1.808 164 C CB 0.899 28.775 27.740 0.227 0.000 2.068 164 C HN 0.806 nan 8.230 nan 0.000 0.441 165 L N 0.804 122.146 121.223 0.199 0.000 2.434 165 L HA 0.540 4.880 4.340 -0.000 0.000 0.260 165 L C -0.946 176.024 176.870 0.167 0.000 0.983 165 L CA -0.025 54.939 54.840 0.208 0.000 0.820 165 L CB 1.744 43.907 42.059 0.173 0.000 1.361 165 L HN 0.797 nan 8.230 nan 0.000 0.410 166 Q N 3.748 123.648 119.800 0.166 0.000 2.330 166 Q HA 0.617 4.957 4.340 -0.000 0.000 0.269 166 Q C -1.690 174.371 176.000 0.103 0.000 1.022 166 Q CA -0.664 55.209 55.803 0.117 0.000 0.796 166 Q CB 1.539 30.353 28.738 0.126 0.000 1.271 166 Q HN 0.790 nan 8.270 nan 0.000 0.450 167 L N 2.896 124.161 121.223 0.069 0.000 2.456 167 L HA 0.339 4.678 4.340 -0.000 0.000 0.257 167 L C 0.306 177.210 176.870 0.056 0.000 1.162 167 L CA -0.516 54.361 54.840 0.062 0.000 0.808 167 L CB 0.532 42.617 42.059 0.044 0.000 1.136 167 L HN 0.726 nan 8.230 nan 0.000 0.466 168 N N -0.028 118.703 118.700 0.052 0.000 2.327 168 N HA 0.001 4.741 4.740 -0.000 0.000 0.231 168 N C -0.470 175.058 175.510 0.030 0.000 1.130 168 N CA -0.250 52.828 53.050 0.046 0.000 0.845 168 N CB -0.087 38.429 38.487 0.048 0.000 1.073 168 N HN 0.559 nan 8.380 nan 0.000 0.496 169 D N -0.912 119.501 120.400 0.022 0.000 2.414 169 D HA 0.031 4.671 4.640 -0.000 0.000 0.259 169 D C 1.317 177.619 176.300 0.004 0.000 1.269 169 D CA -0.401 53.603 54.000 0.006 0.000 1.028 169 D CB 0.903 41.702 40.800 -0.001 0.000 1.093 169 D HN -0.184 nan 8.370 nan 0.000 0.545 170 R N -0.084 120.410 120.500 -0.011 0.000 2.096 170 R HA -0.090 4.250 4.340 -0.000 0.000 0.240 170 R C 1.952 178.251 176.300 -0.002 0.000 1.139 170 R CA 2.331 58.425 56.100 -0.009 0.000 0.952 170 R CB -0.967 29.317 30.300 -0.026 0.000 0.854 170 R HN 0.600 nan 8.270 nan 0.000 0.436 171 A N -0.507 122.300 122.820 -0.021 0.000 2.275 171 A HA 0.177 4.497 4.320 -0.000 0.000 0.212 171 A C -0.268 177.271 177.584 -0.074 0.000 1.201 171 A CA -0.077 51.937 52.037 -0.038 0.000 0.843 171 A CB 0.131 19.092 19.000 -0.066 0.000 0.873 171 A HN 0.262 nan 8.150 nan 0.000 0.492 172 R N 0.183 120.671 120.500 -0.020 0.000 3.209 172 R HA -0.108 4.232 4.340 -0.000 0.000 0.252 172 R C -0.416 175.830 176.300 -0.090 0.000 0.958 172 R CA 0.842 56.940 56.100 -0.003 0.000 0.651 172 R CB -3.093 27.264 30.300 0.094 0.000 1.142 172 R HN 0.504 nan 8.270 nan 0.000 0.441 173 S N 0.732 116.392 115.700 -0.067 0.000 2.573 173 S HA 0.353 4.823 4.470 -0.000 0.000 0.277 173 S C 1.145 175.677 174.600 -0.114 0.000 1.346 173 S CA -0.392 57.737 58.200 -0.119 0.000 1.034 173 S CB 1.012 64.219 63.200 0.012 0.000 0.879 173 S HN 0.281 nan 8.310 nan 0.000 0.528 174 L N 2.142 123.241 121.223 -0.207 0.000 2.309 174 L HA 0.612 4.952 4.340 -0.000 0.000 0.282 174 L C -0.851 176.013 176.870 -0.011 0.000 1.036 174 L CA -0.816 53.965 54.840 -0.099 0.000 0.806 174 L CB 1.168 43.121 42.059 -0.176 0.000 1.220 174 L HN 0.290 nan 8.230 nan 0.000 0.429 175 V N 3.750 123.707 119.914 0.072 0.000 2.483 175 V HA 0.406 4.526 4.120 -0.000 0.000 0.297 175 V C -0.218 175.908 176.094 0.054 0.000 1.027 175 V CA -0.620 61.729 62.300 0.081 0.000 0.855 175 V CB 2.293 34.158 31.823 0.071 0.000 0.995 175 V HN 0.448 nan 8.190 nan 0.000 0.424 176 V N 7.234 127.145 119.914 -0.005 0.000 2.350 176 V HA 0.409 4.529 4.120 -0.000 0.000 0.285 176 V C -2.166 173.850 176.094 -0.131 0.000 1.014 176 V CA -1.798 60.420 62.300 -0.136 0.000 0.831 176 V CB 2.044 33.584 31.823 -0.472 0.000 1.000 176 V HN 0.723 nan 8.190 nan 0.000 0.433 177 P HA 0.486 nan 4.420 nan 0.000 0.271 177 P C -0.537 176.600 177.300 -0.271 0.000 1.216 177 P CA 0.217 63.202 63.100 -0.193 0.000 0.776 177 P CB 1.908 33.538 31.700 -0.116 0.000 0.881 178 A N 3.016 125.533 122.820 -0.504 0.000 2.515 178 A HA 0.853 5.173 4.320 -0.000 0.000 0.299 178 A C -1.806 175.540 177.584 -0.396 0.000 1.179 178 A CA -0.562 51.142 52.037 -0.556 0.000 0.656 178 A CB 1.216 19.635 19.000 -0.969 0.000 1.306 178 A HN 0.651 nan 8.150 nan 0.000 0.459 179 Y N -3.038 117.126 120.300 -0.227 0.000 2.604 179 Y HA 0.823 5.373 4.550 -0.000 0.000 0.331 179 Y C -0.764 175.208 175.900 0.121 0.000 1.158 179 Y CA -0.714 57.401 58.100 0.026 0.000 1.056 179 Y CB 0.847 39.264 38.460 -0.071 0.000 1.330 179 Y HN 1.783 nan 8.280 nan 0.000 0.457 180 A N 1.779 124.656 122.820 0.095 0.000 2.549 180 A HA 0.674 4.994 4.320 -0.000 0.000 0.297 180 A C -2.491 174.965 177.584 -0.213 0.000 1.061 180 A CA -0.880 51.023 52.037 -0.222 0.000 0.690 180 A CB 0.996 19.338 19.000 -1.096 0.000 1.287 180 A HN 0.756 nan 8.150 nan 0.000 0.402 181 Y N 2.619 122.886 120.300 -0.054 0.000 2.556 181 Y HA 0.310 4.860 4.550 -0.000 0.000 0.352 181 Y C 1.133 177.009 175.900 -0.039 0.000 1.006 181 Y CA 0.149 58.238 58.100 -0.018 0.000 1.277 181 Y CB 0.662 39.151 38.460 0.049 0.000 1.136 181 Y HN 0.560 nan 8.280 nan 0.000 0.523 182 R N 3.075 123.556 120.500 -0.031 0.000 2.308 182 R HA 0.328 4.668 4.340 -0.000 0.000 0.305 182 R C -0.784 175.553 176.300 0.062 0.000 1.053 182 R CA -0.857 55.246 56.100 0.006 0.000 0.957 182 R CB 0.843 31.010 30.300 -0.221 0.000 1.022 182 R HN 0.512 nan 8.270 nan 0.000 0.461 183 K N 3.714 124.179 120.400 0.108 0.000 2.228 183 K HA 0.114 4.434 4.320 -0.000 0.000 0.284 183 K C 0.629 177.263 176.600 0.057 0.000 1.088 183 K CA 0.009 56.346 56.287 0.083 0.000 0.941 183 K CB 0.471 33.019 32.500 0.080 0.000 1.158 183 K HN 0.549 nan 8.250 nan 0.000 0.438 184 L N 0.915 122.171 121.223 0.055 0.000 2.537 184 L HA 0.134 4.474 4.340 -0.000 0.000 0.224 184 L C 0.891 177.808 176.870 0.079 0.000 1.065 184 L CA 0.072 54.938 54.840 0.044 0.000 0.860 184 L CB 0.147 42.219 42.059 0.023 0.000 1.086 184 L HN 0.620 nan 8.230 nan 0.000 0.482 185 H N 0.068 119.139 119.070 0.001 0.000 2.690 185 H HA 0.281 4.837 4.556 -0.000 0.000 0.368 185 H C -2.169 173.162 175.328 0.005 0.000 1.150 185 H CA -1.592 54.457 56.048 0.002 0.000 1.174 185 H CB 2.697 32.459 29.762 -0.000 0.000 1.684 185 H HN -0.253 nan 8.280 nan 0.000 0.538 186 P HA 0.065 nan 4.420 nan 0.000 0.221 186 P C 1.012 178.449 177.300 0.228 0.000 1.150 186 P CA 1.051 64.198 63.100 0.077 0.000 0.800 186 P CB 0.709 32.367 31.700 -0.069 0.000 0.787 187 I N -2.967 117.923 120.570 0.533 0.000 3.443 187 I HA 0.034 4.204 4.170 -0.000 0.000 0.277 187 I C 0.667 176.796 176.117 0.020 0.000 1.169 187 I CA -0.098 61.324 61.300 0.202 0.000 1.419 187 I CB -0.311 37.786 38.000 0.162 0.000 1.331 187 I HN -0.224 nan 8.210 nan 0.000 0.458 188 Q N 3.516 123.185 119.800 -0.219 0.000 2.361 188 Q HA 0.058 4.398 4.340 -0.000 0.000 0.276 188 Q C -0.100 175.870 176.000 -0.050 0.000 1.022 188 Q CA 0.170 55.828 55.803 -0.242 0.000 0.898 188 Q CB 0.446 28.930 28.738 -0.424 0.000 1.246 188 Q HN 0.416 nan 8.270 nan 0.000 0.410 189 R N 1.771 122.247 120.500 -0.040 0.000 2.537 189 R HA 0.297 4.637 4.340 -0.000 0.000 0.280 189 R C -2.251 174.067 176.300 0.030 0.000 1.058 189 R CA -1.369 54.731 56.100 -0.001 0.000 1.057 189 R CB -0.826 29.467 30.300 -0.011 0.000 0.973 189 R HN 0.216 nan 8.270 nan 0.000 0.438 190 P HA -0.054 nan 4.420 nan 0.000 0.266 190 P C -0.592 176.797 177.300 0.147 0.000 1.193 190 P CA 0.399 63.564 63.100 0.109 0.000 0.770 190 P CB 0.465 32.251 31.700 0.144 0.000 0.836 191 I N 4.672 125.279 120.570 0.061 0.000 2.441 191 I HA 0.349 4.519 4.170 -0.000 0.000 0.295 191 I C -2.129 173.891 176.117 -0.161 0.000 0.994 191 I CA -2.670 58.614 61.300 -0.026 0.000 1.144 191 I CB 2.353 40.315 38.000 -0.063 0.000 1.314 191 I HN 0.194 nan 8.210 nan 0.000 0.445 192 P HA 0.294 nan 4.420 nan 0.000 0.282 192 P C -1.034 176.092 177.300 -0.290 0.000 1.249 192 P CA -0.362 62.423 63.100 -0.524 0.000 0.806 192 P CB 1.618 32.726 31.700 -0.987 0.000 0.984 193 S N 0.206 115.790 115.700 -0.193 0.000 2.536 193 S HA 0.631 5.100 4.470 -0.000 0.000 0.271 193 S C -0.540 174.198 174.600 0.229 0.000 1.134 193 S CA -0.535 57.637 58.200 -0.046 0.000 0.897 193 S CB 1.678 64.789 63.200 -0.148 0.000 1.094 193 S HN 0.666 nan 8.310 nan 0.000 0.473 194 A N 1.908 124.834 122.820 0.177 0.000 2.304 194 A HA 0.959 5.279 4.320 -0.000 0.000 0.271 194 A C -0.434 177.307 177.584 0.262 0.000 1.091 194 A CA -0.253 51.878 52.037 0.157 0.000 0.812 194 A CB -0.073 18.891 19.000 -0.060 0.000 1.056 194 A HN 1.269 nan 8.150 nan 0.000 0.489 195 F N -2.017 117.852 119.950 -0.135 0.000 2.978 195 F HA 0.587 5.114 4.527 -0.000 0.000 0.324 195 F C -1.378 174.284 175.800 -0.229 0.000 1.157 195 F CA -1.458 56.402 58.000 -0.232 0.000 0.879 195 F CB 0.318 38.979 39.000 -0.565 0.000 1.364 195 F HN 0.573 nan 8.300 nan 0.000 0.465 196 C N 1.387 120.588 119.300 -0.165 0.000 2.563 196 C HA 0.744 5.204 4.460 -0.000 0.000 0.314 196 C C -0.866 174.025 174.990 -0.166 0.000 1.199 196 C CA -0.602 58.276 59.018 -0.234 0.000 1.564 196 C CB 1.143 28.902 27.740 0.032 0.000 2.173 196 C HN 0.613 nan 8.230 nan 0.000 0.485 197 F N 2.269 122.182 119.950 -0.061 0.000 2.379 197 F HA 0.744 5.271 4.527 -0.000 0.000 0.332 197 F C 0.326 176.215 175.800 0.148 0.000 1.096 197 F CA -0.337 57.701 58.000 0.063 0.000 1.105 197 F CB 0.666 39.583 39.000 -0.138 0.000 1.189 197 F HN 0.209 nan 8.300 nan 0.000 0.515 198 L N 1.611 123.069 121.223 0.392 0.000 2.388 198 L HA 0.645 4.985 4.340 -0.000 0.000 0.264 198 L C -0.592 176.100 176.870 -0.297 0.000 0.998 198 L CA -0.740 54.134 54.840 0.058 0.000 0.817 198 L CB 2.246 44.234 42.059 -0.119 0.000 1.338 198 L HN 0.517 nan 8.230 nan 0.000 0.414 199 S N -0.810 114.427 115.700 -0.772 0.000 2.575 199 S HA 0.483 4.953 4.470 -0.000 0.000 0.278 199 S C -0.402 173.661 174.600 -0.895 0.000 1.139 199 S CA -0.566 56.989 58.200 -1.074 0.000 0.954 199 S CB 0.845 62.998 63.200 -1.745 0.000 1.054 199 S HN 0.717 nan 8.310 nan 0.000 0.483 200 H N 2.743 121.592 119.070 -0.367 0.000 2.755 200 H HA 0.223 4.779 4.556 -0.000 0.000 0.273 200 H C -0.409 174.717 175.328 -0.336 0.000 1.055 200 H CA 0.118 55.985 56.048 -0.302 0.000 1.191 200 H CB 0.435 30.080 29.762 -0.196 0.000 1.536 200 H HN 0.693 nan 8.280 nan 0.000 0.529 201 D N -0.658 119.577 120.400 -0.275 0.000 2.788 201 D HA 0.036 4.676 4.640 -0.000 0.000 0.289 201 D C -0.206 176.029 176.300 -0.107 0.000 1.340 201 D CA -0.597 53.300 54.000 -0.171 0.000 0.831 201 D CB -0.547 40.215 40.800 -0.063 0.000 1.103 201 D HN 0.096 nan 8.370 nan 0.000 0.476 202 H N 0.135 119.130 119.070 -0.125 0.000 2.819 202 H HA -0.114 4.442 4.556 -0.000 0.000 0.315 202 H C 1.422 176.750 175.328 -0.001 0.000 1.242 202 H CA 0.929 56.943 56.048 -0.056 0.000 1.157 202 H CB -1.574 28.207 29.762 0.032 0.000 1.451 202 H HN 0.687 nan 8.280 nan 0.000 0.430 203 G N -0.371 108.286 108.800 -0.239 0.000 2.176 203 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.253 203 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.253 203 G C 1.141 176.047 174.900 0.010 0.000 0.979 203 G CA 0.958 45.975 45.100 -0.138 0.000 0.641 203 G HN 0.598 nan 8.290 nan 0.000 0.530 204 R N 0.836 121.300 120.500 -0.059 0.000 2.062 204 R HA 0.077 4.417 4.340 -0.000 0.000 0.231 204 R C 1.484 177.765 176.300 -0.031 0.000 1.136 204 R CA 2.148 58.258 56.100 0.016 0.000 0.948 204 R CB -0.214 30.092 30.300 0.011 0.000 0.845 204 R HN 0.671 nan 8.270 nan 0.000 0.430 205 T N -3.055 111.375 114.554 -0.207 0.000 2.907 205 T HA 0.493 4.843 4.350 -0.000 0.000 0.292 205 T C -1.148 173.297 174.700 -0.425 0.000 1.043 205 T CA -0.922 61.090 62.100 -0.146 0.000 1.003 205 T CB 1.576 70.409 68.868 -0.060 0.000 1.084 205 T HN 0.226 nan 8.240 nan 0.000 0.483 206 W N 0.235 121.531 121.300 -0.006 0.000 2.864 206 W HA 0.781 5.441 4.660 -0.000 0.000 0.343 206 W C -0.268 176.264 176.519 0.021 0.000 1.109 206 W CA -0.837 56.497 57.345 -0.018 0.000 1.192 206 W CB 2.300 31.744 29.460 -0.027 0.000 1.426 206 W HN 1.083 nan 8.180 nan 0.000 0.529 207 A N 1.634 124.630 122.820 0.294 0.000 2.515 207 A HA 0.852 5.172 4.320 -0.000 0.000 0.296 207 A C -1.117 176.622 177.584 0.258 0.000 1.094 207 A CA -1.167 50.992 52.037 0.203 0.000 0.718 207 A CB 1.436 20.490 19.000 0.089 0.000 1.307 207 A HN 0.681 nan 8.150 nan 0.000 0.408 208 R N 0.710 121.305 120.500 0.159 0.000 2.254 208 R HA 0.471 4.811 4.340 -0.000 0.000 0.318 208 R C 0.642 176.870 176.300 -0.121 0.000 1.031 208 R CA 0.050 56.176 56.100 0.044 0.000 0.905 208 R CB 1.501 31.788 30.300 -0.022 0.000 1.050 208 R HN 0.856 nan 8.270 nan 0.000 0.456 209 G N 1.599 110.323 108.800 -0.126 0.000 2.599 209 G HA2 0.111 4.071 3.960 -0.000 0.000 0.264 209 G HA3 0.111 4.071 3.960 -0.000 0.000 0.264 209 G C -0.376 174.353 174.900 -0.285 0.000 1.200 209 G CA -0.517 44.448 45.100 -0.225 0.000 0.896 209 G HN 0.521 nan 8.290 nan 0.000 0.536 210 H N -0.617 118.414 119.070 -0.065 0.000 2.505 210 H HA 0.309 4.865 4.556 -0.000 0.000 0.355 210 H C -0.147 175.148 175.328 -0.055 0.000 1.179 210 H CA -0.676 55.304 56.048 -0.113 0.000 1.343 210 H CB 0.668 30.437 29.762 0.012 0.000 1.501 210 H HN 0.234 nan 8.280 nan 0.000 0.569 211 F N -0.012 120.063 119.950 0.208 0.000 2.450 211 F HA 0.067 4.594 4.527 -0.000 0.000 0.339 211 F C 0.748 176.636 175.800 0.148 0.000 1.146 211 F CA -0.271 57.812 58.000 0.139 0.000 1.267 211 F CB 0.405 39.419 39.000 0.024 0.000 1.178 211 F HN 0.075 nan 8.300 nan 0.000 0.585 212 V N 2.615 122.707 119.914 0.297 0.000 2.488 212 V HA 0.299 4.419 4.120 -0.000 0.000 0.277 212 V C 0.445 176.609 176.094 0.117 0.000 1.046 212 V CA -0.888 61.491 62.300 0.132 0.000 0.986 212 V CB 0.880 32.669 31.823 -0.057 0.000 0.989 212 V HN 0.882 nan 8.190 nan 0.000 0.475 213 A N 5.065 127.941 122.820 0.093 0.000 3.048 213 A HA 0.477 4.797 4.320 -0.000 0.000 0.264 213 A C 0.163 177.753 177.584 0.009 0.000 1.796 213 A CA 0.194 52.261 52.037 0.049 0.000 1.445 213 A CB -0.545 18.485 19.000 0.050 0.000 1.074 213 A HN 0.816 nan 8.150 nan 0.000 0.621 214 Q N 0.226 120.019 119.800 -0.011 0.000 2.479 214 Q HA 0.221 4.561 4.340 -0.000 0.000 0.276 214 Q C -1.460 174.510 176.000 -0.050 0.000 0.989 214 Q CA -0.553 55.231 55.803 -0.031 0.000 0.864 214 Q CB 1.507 30.219 28.738 -0.043 0.000 1.444 214 Q HN 0.381 nan 8.270 nan 0.000 0.388 215 D N 2.100 122.478 120.400 -0.037 0.000 2.441 215 D HA 0.153 4.793 4.640 -0.000 0.000 0.243 215 D C -0.997 175.265 176.300 -0.064 0.000 1.257 215 D CA 0.486 54.459 54.000 -0.047 0.000 1.027 215 D CB -0.065 40.758 40.800 0.037 0.000 1.084 215 D HN 0.533 nan 8.370 nan 0.000 0.514 216 T N 0.634 115.115 114.554 -0.122 0.000 2.907 216 T HA 0.640 4.990 4.350 -0.000 0.000 0.292 216 T C 0.707 175.245 174.700 -0.271 0.000 1.043 216 T CA -0.840 61.166 62.100 -0.158 0.000 1.003 216 T CB 1.754 70.546 68.868 -0.127 0.000 1.084 216 T HN 0.150 nan 8.240 nan 0.000 0.483 217 L N -0.146 120.850 121.223 -0.378 0.000 2.760 217 L HA 0.525 4.865 4.340 -0.000 0.000 0.213 217 L C 0.420 176.857 176.870 -0.721 0.000 2.003 217 L CA -1.416 52.938 54.840 -0.811 0.000 2.737 217 L CB 0.004 41.653 42.059 -0.683 0.000 2.794 217 L HN 0.656 nan 8.230 nan 0.000 0.633 218 E N 0.440 120.209 120.200 -0.719 0.000 2.568 218 E HA 0.079 4.429 4.350 -0.000 0.000 0.262 218 E C -0.684 175.841 176.600 -0.126 0.000 0.961 218 E CA 0.189 56.460 56.400 -0.214 0.000 0.945 218 E CB 0.225 29.846 29.700 -0.132 0.000 0.924 218 E HN 0.490 nan 8.360 nan 0.000 0.467 219 C N 1.226 120.499 119.300 -0.045 0.000 3.323 219 C HA 0.674 5.134 4.460 -0.000 0.000 0.324 219 C C -1.171 173.787 174.990 -0.053 0.000 1.428 219 C CA -0.764 58.212 59.018 -0.070 0.000 1.368 219 C CB 1.399 29.069 27.740 -0.117 0.000 1.731 219 C HN 0.804 nan 8.230 nan 0.000 0.455 220 Q N 0.275 120.046 119.800 -0.049 0.000 2.462 220 Q HA 0.758 5.098 4.340 -0.000 0.000 0.285 220 Q C -1.091 174.903 176.000 -0.011 0.000 1.035 220 Q CA -0.722 55.049 55.803 -0.053 0.000 0.799 220 Q CB 2.680 31.394 28.738 -0.041 0.000 1.452 220 Q HN 1.145 nan 8.270 nan 0.000 0.404 221 V N -2.594 117.327 119.914 0.010 0.000 3.102 221 V HA 1.068 5.187 4.120 -0.000 0.000 0.312 221 V C -1.182 175.010 176.094 0.164 0.000 1.135 221 V CA -0.731 61.627 62.300 0.096 0.000 1.022 221 V CB 1.673 33.569 31.823 0.123 0.000 1.056 221 V HN 0.920 nan 8.190 nan 0.000 0.436 222 A N 1.162 124.097 122.820 0.191 0.000 2.606 222 A HA 0.825 5.145 4.320 -0.000 0.000 0.293 222 A C -1.016 176.670 177.584 0.171 0.000 1.082 222 A CA -0.561 51.604 52.037 0.213 0.000 0.685 222 A CB 1.929 21.078 19.000 0.249 0.000 1.284 222 A HN 1.110 nan 8.150 nan 0.000 0.408 223 E N 0.362 120.655 120.200 0.155 0.000 2.183 223 E HA 0.624 4.974 4.350 -0.000 0.000 0.271 223 E C -1.063 175.594 176.600 0.095 0.000 0.919 223 E CA -0.673 55.795 56.400 0.115 0.000 0.781 223 E CB 1.676 31.438 29.700 0.103 0.000 1.140 223 E HN 1.034 nan 8.360 nan 0.000 0.402 224 V N 0.917 120.872 119.914 0.068 0.000 2.876 224 V HA 0.629 4.749 4.120 -0.000 0.000 0.312 224 V C -0.560 175.552 176.094 0.030 0.000 1.085 224 V CA -0.905 61.423 62.300 0.045 0.000 0.945 224 V CB 1.749 33.592 31.823 0.033 0.000 1.017 224 V HN 0.726 nan 8.190 nan 0.000 0.428 230 R N 1.480 121.980 120.500 0.000 0.000 2.308 230 R HA 0.601 4.941 4.340 -0.000 0.000 0.305 230 R C -0.421 175.881 176.300 0.004 0.000 1.053 230 R CA -0.076 56.028 56.100 0.007 0.000 0.957 230 R CB 1.270 31.576 30.300 0.009 0.000 1.022 230 R HN -0.115 nan 8.270 nan 0.000 0.461 231 V N 3.084 123.007 119.914 0.016 0.000 2.876 231 V HA 0.366 4.486 4.120 -0.000 0.000 0.312 231 V C -0.422 175.700 176.094 0.046 0.000 1.085 231 V CA -0.927 61.384 62.300 0.019 0.000 0.945 231 V CB 2.454 34.292 31.823 0.024 0.000 1.017 231 V HN 0.412 nan 8.190 nan 0.000 0.428 232 V N 2.293 122.238 119.914 0.052 0.000 2.357 232 V HA 0.469 4.589 4.120 -0.000 0.000 0.284 232 V C 0.197 176.420 176.094 0.215 0.000 1.018 232 V CA -0.217 62.152 62.300 0.115 0.000 0.841 232 V CB 1.702 33.573 31.823 0.081 0.000 0.991 232 V HN 0.979 nan 8.190 nan 0.000 0.437 233 T N 6.220 120.896 114.554 0.203 0.000 2.867 233 T HA 0.690 5.040 4.350 -0.000 0.000 0.282 233 T C -0.882 173.928 174.700 0.184 0.000 1.000 233 T CA -0.322 61.900 62.100 0.203 0.000 1.042 233 T CB 0.901 69.858 68.868 0.149 0.000 0.973 233 T HN 0.544 nan 8.240 nan 0.000 0.465 234 L N 5.360 126.639 121.223 0.095 0.000 2.362 234 L HA 0.640 4.980 4.340 -0.000 0.000 0.275 234 L C -0.800 176.018 176.870 -0.087 0.000 0.998 234 L CA -0.786 54.014 54.840 -0.066 0.000 0.820 234 L CB 1.637 43.451 42.059 -0.409 0.000 1.270 234 L HN 0.565 nan 8.230 nan 0.000 0.415 235 N N 3.935 122.593 118.700 -0.069 0.000 2.399 235 N HA 0.714 5.454 4.740 -0.000 0.000 0.280 235 N C -1.499 173.942 175.510 -0.114 0.000 1.008 235 N CA -0.133 52.854 53.050 -0.105 0.000 0.894 235 N CB 2.110 40.555 38.487 -0.071 0.000 1.273 235 N HN 0.770 nan 8.380 nan 0.000 0.486 236 A N 2.985 125.711 122.820 -0.155 0.000 2.423 236 A HA 0.583 4.903 4.320 -0.000 0.000 0.304 236 A C -0.289 177.204 177.584 -0.151 0.000 1.104 236 A CA -0.832 51.117 52.037 -0.147 0.000 0.757 236 A CB 1.495 20.398 19.000 -0.162 0.000 1.313 236 A HN 0.735 nan 8.150 nan 0.000 0.423 237 R N 0.455 120.867 120.500 -0.146 0.000 2.441 237 R HA 0.550 4.890 4.340 -0.000 0.000 0.284 237 R C -0.173 176.053 176.300 -0.123 0.000 1.070 237 R CA 0.756 56.781 56.100 -0.124 0.000 1.047 237 R CB 0.591 30.809 30.300 -0.137 0.000 1.016 237 R HN 1.076 nan 8.270 nan 0.000 0.477 238 S N 1.658 117.310 115.700 -0.079 0.000 2.596 238 S HA 0.154 4.624 4.470 -0.000 0.000 0.270 238 S C 0.097 174.712 174.600 0.025 0.000 1.155 238 S CA -0.880 57.303 58.200 -0.029 0.000 0.827 238 S CB 1.172 64.328 63.200 -0.073 0.000 1.130 238 S HN 0.909 nan 8.310 nan 0.000 0.467 239 H N 1.219 120.249 119.070 -0.067 0.000 2.526 239 H HA 0.366 4.922 4.556 -0.000 0.000 0.274 239 H C 0.600 175.902 175.328 -0.044 0.000 0.999 239 H CA -0.212 55.812 56.048 -0.040 0.000 1.157 239 H CB -0.411 29.336 29.762 -0.026 0.000 1.407 239 H HN 0.529 nan 8.280 nan 0.000 0.568 240 L N 0.787 121.736 121.223 -0.457 0.000 2.645 240 L HA 0.149 4.489 4.340 -0.000 0.000 0.234 240 L C 0.405 177.140 176.870 -0.225 0.000 1.165 240 L CA -0.095 54.499 54.840 -0.410 0.000 0.944 240 L CB -0.080 41.766 42.059 -0.356 0.000 1.149 240 L HN 0.088 nan 8.230 nan 0.000 0.446 241 R N -0.997 119.404 120.500 -0.164 0.000 3.989 241 R HA -0.171 4.169 4.340 -0.000 0.000 0.377 241 R C -0.276 175.936 176.300 -0.147 0.000 1.158 241 R CA 0.889 56.909 56.100 -0.133 0.000 1.035 241 R CB -2.144 28.072 30.300 -0.141 0.000 1.557 241 R HN 0.504 nan 8.270 nan 0.000 0.551 242 A N -0.784 121.936 122.820 -0.168 0.000 2.612 242 A HA 0.799 5.119 4.320 -0.000 0.000 0.293 242 A C -0.726 176.721 177.584 -0.229 0.000 1.075 242 A CA -0.993 50.922 52.037 -0.203 0.000 0.680 242 A CB 1.267 20.155 19.000 -0.187 0.000 1.279 242 A HN 0.013 nan 8.150 nan 0.000 0.411 243 R N -0.058 120.259 120.500 -0.306 0.000 2.615 243 R HA 0.543 4.883 4.340 -0.000 0.000 0.270 243 R C -0.648 175.494 176.300 -0.264 0.000 1.081 243 R CA -0.376 55.530 56.100 -0.323 0.000 1.154 243 R CB 0.847 30.851 30.300 -0.493 0.000 1.063 243 R HN 0.452 nan 8.270 nan 0.000 0.519 244 V N 1.814 121.592 119.914 -0.226 0.000 2.495 244 V HA 0.287 4.407 4.120 -0.000 0.000 0.298 244 V C -0.013 175.974 176.094 -0.179 0.000 1.031 244 V CA -0.596 61.598 62.300 -0.177 0.000 0.871 244 V CB 1.674 33.413 31.823 -0.141 0.000 0.988 244 V HN 0.605 nan 8.190 nan 0.000 0.432 245 Q N 2.959 122.677 119.800 -0.137 0.000 2.365 245 Q HA 0.836 5.176 4.340 -0.000 0.000 0.269 245 Q C -1.119 174.849 176.000 -0.053 0.000 1.061 245 Q CA -0.574 55.172 55.803 -0.096 0.000 0.816 245 Q CB 2.320 31.030 28.738 -0.046 0.000 1.325 245 Q HN 0.913 nan 8.270 nan 0.000 0.446 246 A N 2.968 125.760 122.820 -0.046 0.000 2.539 246 A HA 0.667 4.987 4.320 -0.000 0.000 0.296 246 A C -1.699 176.004 177.584 0.199 0.000 1.073 246 A CA -0.749 51.304 52.037 0.026 0.000 0.700 246 A CB 2.106 21.043 19.000 -0.105 0.000 1.296 246 A HN 0.692 nan 8.150 nan 0.000 0.405 247 Q N 0.356 120.347 119.800 0.318 0.000 2.394 247 Q HA 0.708 5.047 4.340 -0.000 0.000 0.273 247 Q C -0.949 175.198 176.000 0.245 0.000 1.089 247 Q CA -0.705 55.285 55.803 0.312 0.000 0.812 247 Q CB 1.943 30.765 28.738 0.140 0.000 1.353 247 Q HN 0.673 nan 8.270 nan 0.000 0.438 248 S N 0.228 115.939 115.700 0.018 0.000 2.532 248 S HA 0.494 4.964 4.470 -0.000 0.000 0.299 248 S C -0.000 174.514 174.600 -0.143 0.000 1.105 248 S CA -0.271 57.760 58.200 -0.281 0.000 1.018 248 S CB 1.012 63.696 63.200 -0.859 0.000 1.021 248 S HN 0.642 nan 8.310 nan 0.000 0.483 249 T N 0.761 115.246 114.554 -0.114 0.000 3.174 249 T HA 0.228 4.578 4.350 -0.000 0.000 0.269 249 T C 0.389 175.042 174.700 -0.077 0.000 1.017 249 T CA -0.397 61.661 62.100 -0.069 0.000 0.899 249 T CB -0.514 68.331 68.868 -0.039 0.000 1.077 249 T HN 0.619 nan 8.240 nan 0.000 0.552 250 N N 0.939 119.569 118.700 -0.116 0.000 2.497 250 N HA 0.117 4.857 4.740 -0.000 0.000 0.284 250 N C -0.861 174.585 175.510 -0.108 0.000 1.459 250 N CA -0.304 52.688 53.050 -0.098 0.000 0.899 250 N CB -0.045 38.389 38.487 -0.088 0.000 1.316 250 N HN 0.051 nan 8.380 nan 0.000 0.500 251 D N 0.116 120.454 120.400 -0.103 0.000 2.800 251 D HA -0.127 4.513 4.640 -0.000 0.000 0.232 251 D C 1.099 177.340 176.300 -0.098 0.000 1.137 251 D CA 1.735 55.692 54.000 -0.072 0.000 0.718 251 D CB -1.489 39.297 40.800 -0.022 0.000 1.084 251 D HN 0.745 nan 8.370 nan 0.000 0.432 252 G N -1.138 107.520 108.800 -0.238 0.000 2.217 252 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.246 252 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.246 252 G C 0.925 175.652 174.900 -0.288 0.000 0.990 252 G CA 0.543 45.465 45.100 -0.296 0.000 0.627 252 G HN 0.498 nan 8.290 nan 0.000 0.522 253 L N 0.948 122.030 121.223 -0.234 0.000 2.093 253 L HA 0.332 4.672 4.340 -0.000 0.000 0.208 253 L C 0.487 177.212 176.870 -0.241 0.000 1.085 253 L CA 2.062 56.760 54.840 -0.237 0.000 0.755 253 L CB -0.021 41.938 42.059 -0.167 0.000 0.904 253 L HN 0.372 nan 8.230 nan 0.000 0.435 254 D N -2.088 118.166 120.400 -0.243 0.000 2.756 254 D HA 0.249 4.889 4.640 -0.000 0.000 0.226 254 D C -1.386 174.698 176.300 -0.359 0.000 1.186 254 D CA -0.307 53.630 54.000 -0.105 0.000 0.845 254 D CB 1.648 42.472 40.800 0.039 0.000 1.610 254 D HN -0.201 nan 8.370 nan 0.000 0.465 255 F N 1.597 121.585 119.950 0.064 0.000 2.325 255 F HA 0.167 4.694 4.527 -0.000 0.000 0.369 255 F C 1.440 177.266 175.800 0.044 0.000 1.095 255 F CA -0.440 57.588 58.000 0.046 0.000 1.082 255 F CB 1.562 40.590 39.000 0.046 0.000 1.289 255 F HN 0.070 nan 8.300 nan 0.000 0.462 256 Q N 0.533 120.394 119.800 0.101 0.000 2.436 256 Q HA -0.047 4.293 4.340 -0.000 0.000 0.209 256 Q C 0.099 176.151 176.000 0.087 0.000 0.965 256 Q CA 0.713 56.562 55.803 0.077 0.000 0.910 256 Q CB 0.077 28.833 28.738 0.030 0.000 0.980 256 Q HN 0.522 nan 8.270 nan 0.000 0.491 257 E N -0.635 119.637 120.200 0.120 0.000 2.352 257 E HA 0.538 4.888 4.350 -0.000 0.000 0.280 257 E C -1.519 175.138 176.600 0.095 0.000 0.930 257 E CA -0.539 55.914 56.400 0.087 0.000 0.765 257 E CB 1.513 31.249 29.700 0.060 0.000 1.219 257 E HN -0.032 nan 8.360 nan 0.000 0.434 258 S N 3.010 118.741 115.700 0.051 0.000 2.547 258 S HA 0.803 5.273 4.470 -0.000 0.000 0.270 258 S C -1.342 173.255 174.600 -0.006 0.000 1.150 258 S CA -0.680 57.532 58.200 0.019 0.000 0.850 258 S CB 1.363 64.568 63.200 0.008 0.000 1.118 258 S HN 0.734 nan 8.310 nan 0.000 0.461 259 Q N 0.846 120.628 119.800 -0.031 0.000 2.756 259 Q HA 0.581 4.921 4.340 -0.000 0.000 0.295 259 Q C -1.864 174.090 176.000 -0.075 0.000 0.903 259 Q CA -1.226 54.550 55.803 -0.044 0.000 0.768 259 Q CB 0.724 29.443 28.738 -0.031 0.000 1.472 259 Q HN 0.664 nan 8.270 nan 0.000 0.416 260 L N 1.194 122.367 121.223 -0.084 0.000 2.326 260 L HA 0.514 4.853 4.340 -0.000 0.000 0.278 260 L C -0.702 176.096 176.870 -0.121 0.000 1.092 260 L CA -1.010 53.759 54.840 -0.117 0.000 0.810 260 L CB 1.550 43.540 42.059 -0.115 0.000 1.153 260 L HN 0.492 nan 8.230 nan 0.000 0.439 261 V N 3.855 123.665 119.914 -0.174 0.000 2.257 261 V HA 0.149 4.269 4.120 -0.000 0.000 0.269 261 V C 0.883 176.856 176.094 -0.203 0.000 1.040 261 V CA -0.641 61.550 62.300 -0.181 0.000 0.813 261 V CB 0.660 32.319 31.823 -0.274 0.000 1.065 261 V HN 0.730 nan 8.190 nan 0.000 0.457 262 K N 1.959 122.276 120.400 -0.138 0.000 2.286 262 K HA -0.186 4.134 4.320 -0.000 0.000 0.203 262 K C 1.886 178.413 176.600 -0.122 0.000 1.045 262 K CA 1.196 57.408 56.287 -0.126 0.000 0.935 262 K CB 0.118 32.565 32.500 -0.088 0.000 0.737 262 K HN 0.443 nan 8.250 nan 0.000 0.460 263 K N 0.877 121.209 120.400 -0.114 0.000 2.439 263 K HA -0.016 4.304 4.320 -0.000 0.000 0.197 263 K C -0.064 176.453 176.600 -0.139 0.000 1.041 263 K CA 0.471 56.717 56.287 -0.068 0.000 0.970 263 K CB 0.202 32.701 32.500 -0.001 0.000 0.773 263 K HN 0.070 nan 8.250 nan 0.000 0.479 264 L N 1.808 122.838 121.223 -0.322 0.000 2.335 264 L HA 0.259 4.599 4.340 -0.000 0.000 0.268 264 L C -0.250 176.413 176.870 -0.345 0.000 1.037 264 L CA -0.751 53.791 54.840 -0.498 0.000 0.895 264 L CB 1.365 42.888 42.059 -0.893 0.000 1.266 264 L HN -0.176 nan 8.230 nan 0.000 0.439 265 V N 3.092 122.896 119.914 -0.183 0.000 3.096 265 V HA 0.190 4.310 4.120 -0.000 0.000 0.306 265 V C 0.175 176.190 176.094 -0.131 0.000 1.088 265 V CA 0.178 62.398 62.300 -0.133 0.000 1.129 265 V CB 1.396 33.186 31.823 -0.054 0.000 1.014 265 V HN 0.648 nan 8.190 nan 0.000 0.486 266 E N 5.718 125.875 120.200 -0.072 0.000 2.272 266 E HA 0.489 4.839 4.350 -0.000 0.000 0.269 266 E C -2.679 173.942 176.600 0.036 0.000 0.877 266 E CA -1.666 54.753 56.400 0.031 0.000 0.755 266 E CB 2.319 32.000 29.700 -0.031 0.000 1.192 266 E HN 0.557 nan 8.360 nan 0.000 0.422 267 P HA 0.387 nan 4.420 nan 0.000 0.278 267 P C -2.715 174.624 177.300 0.066 0.000 1.258 267 P CA -1.830 61.313 63.100 0.071 0.000 0.811 267 P CB 0.506 32.274 31.700 0.113 0.000 1.063 268 P HA 0.274 nan 4.420 nan 0.000 0.279 268 P C -1.710 175.656 177.300 0.110 0.000 1.252 268 P CA -1.415 61.740 63.100 0.092 0.000 0.811 268 P CB -0.256 31.520 31.700 0.126 0.000 1.035 269 P HA 0.118 nan 4.420 nan 0.000 0.259 269 P C 0.496 177.862 177.300 0.109 0.000 1.233 269 P CA 0.788 63.947 63.100 0.099 0.000 0.827 269 P CB 0.882 32.635 31.700 0.088 0.000 1.154 270 Q N 0.122 119.985 119.800 0.104 0.000 2.084 270 Q HA 0.398 4.738 4.340 -0.000 0.000 0.230 270 Q C 0.348 176.406 176.000 0.097 0.000 0.806 270 Q CA 0.160 56.031 55.803 0.112 0.000 1.083 270 Q CB 0.668 29.454 28.738 0.080 0.000 1.208 270 Q HN 0.171 nan 8.270 nan 0.000 0.462 271 G N 0.294 109.151 108.800 0.094 0.000 2.741 271 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.222 271 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.222 271 G C -0.741 174.228 174.900 0.115 0.000 1.364 271 G CA -0.289 44.869 45.100 0.098 0.000 0.866 271 G HN 0.471 nan 8.290 nan 0.000 0.555 272 C N -0.571 118.807 119.300 0.131 0.000 3.170 272 C HA 0.679 5.139 4.460 -0.000 0.000 0.319 272 C C 0.253 175.178 174.990 -0.108 0.000 1.260 272 C CA -0.095 58.945 59.018 0.036 0.000 1.374 272 C CB 1.426 29.142 27.740 -0.039 0.000 1.739 272 C HN 1.175 nan 8.230 nan 0.000 0.479 273 Q N 1.981 121.458 119.800 -0.539 0.000 2.421 273 Q HA 0.513 4.853 4.340 -0.000 0.000 0.255 273 Q C 0.013 175.837 176.000 -0.293 0.000 1.013 273 Q CA 0.881 56.312 55.803 -0.621 0.000 0.895 273 Q CB 1.301 29.189 28.738 -1.417 0.000 1.271 273 Q HN 1.101 nan 8.270 nan 0.000 0.460 274 G N 0.673 109.435 108.800 -0.063 0.000 2.708 274 G HA2 0.482 4.441 3.960 -0.000 0.000 0.289 274 G HA3 0.482 4.441 3.960 -0.000 0.000 0.289 274 G C -1.705 173.227 174.900 0.053 0.000 1.416 274 G CA -0.316 44.806 45.100 0.037 0.000 0.829 274 G HN 0.555 nan 8.290 nan 0.000 0.480 275 S N -1.640 114.078 115.700 0.030 0.000 2.568 275 S HA 0.798 5.268 4.470 -0.000 0.000 0.293 275 S C -1.364 173.412 174.600 0.294 0.000 1.089 275 S CA -0.627 57.680 58.200 0.177 0.000 0.945 275 S CB 1.889 65.217 63.200 0.214 0.000 1.077 275 S HN 1.418 nan 8.310 nan 0.000 0.485 276 V N 5.060 125.195 119.914 0.367 0.000 2.971 276 V HA 0.826 4.946 4.120 -0.000 0.000 0.309 276 V C -1.376 174.985 176.094 0.445 0.000 1.130 276 V CA -0.702 61.847 62.300 0.414 0.000 0.964 276 V CB 1.700 33.744 31.823 0.368 0.000 1.029 276 V HN 0.964 nan 8.190 nan 0.000 0.427 277 I N 2.547 123.368 120.570 0.420 0.000 3.102 277 I HA 0.878 5.048 4.170 -0.000 0.000 0.310 277 I C -0.543 175.820 176.117 0.410 0.000 1.246 277 I CA -0.620 60.924 61.300 0.407 0.000 0.979 277 I CB 2.273 40.474 38.000 0.336 0.000 1.267 277 I HN 0.662 nan 8.210 nan 0.000 0.451 278 S N 2.104 118.027 115.700 0.370 0.000 2.621 278 S HA 0.929 5.399 4.470 -0.000 0.000 0.302 278 S C -0.768 174.087 174.600 0.425 0.000 1.093 278 S CA -0.523 57.857 58.200 0.299 0.000 1.017 278 S CB 1.755 65.063 63.200 0.181 0.000 1.077 278 S HN 1.021 nan 8.310 nan 0.000 0.517 279 F N -2.952 117.132 119.950 0.224 0.000 2.678 279 F HA 0.734 5.261 4.527 -0.000 0.000 0.308 279 F C -3.553 172.289 175.800 0.070 0.000 1.118 279 F CA -2.473 55.634 58.000 0.178 0.000 0.959 279 F CB 0.264 39.444 39.000 0.299 0.000 1.305 279 F HN 0.340 nan 8.300 nan 0.000 0.443 280 P HA 0.064 nan 4.420 nan 0.000 0.262 280 P C -0.277 176.893 177.300 -0.216 0.000 1.182 280 P CA 0.296 63.373 63.100 -0.038 0.000 0.761 280 P CB 0.936 32.647 31.700 0.018 0.000 0.795 281 S N 4.629 120.035 115.700 -0.490 0.000 2.562 281 S HA 0.154 4.624 4.470 -0.000 0.000 0.281 281 S C -1.309 172.920 174.600 -0.619 0.000 1.333 281 S CA -0.973 56.632 58.200 -0.991 0.000 1.052 281 S CB -0.122 62.531 63.200 -0.912 0.000 0.884 281 S HN 0.267 nan 8.310 nan 0.000 0.506 282 P HA 0.044 nan 4.420 nan 0.000 0.225 282 P C 0.113 177.262 177.300 -0.253 0.000 1.156 282 P CA 0.708 63.601 63.100 -0.346 0.000 0.787 282 P CB 0.125 31.630 31.700 -0.325 0.000 0.802 289 P HA 0.437 nan 4.420 nan 0.000 0.265 289 P C 0.355 177.667 177.300 0.021 0.000 1.193 289 P CA 0.321 63.457 63.100 0.061 0.000 0.765 289 P CB 0.874 32.644 31.700 0.117 0.000 0.823 290 A N 2.842 125.656 122.820 -0.010 0.000 2.119 290 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 290 A C 0.845 178.366 177.584 -0.105 0.000 1.152 290 A CA 0.967 52.972 52.037 -0.053 0.000 0.708 290 A CB -0.225 18.759 19.000 -0.026 0.000 0.805 290 A HN 0.740 nan 8.150 nan 0.000 0.460 291 Q N -2.760 116.993 119.800 -0.079 0.000 2.456 291 Q HA 0.536 4.875 4.340 -0.000 0.000 0.284 291 Q C -1.475 174.500 176.000 -0.042 0.000 1.061 291 Q CA -0.647 55.064 55.803 -0.153 0.000 0.799 291 Q CB 1.610 30.306 28.738 -0.069 0.000 1.445 291 Q HN 0.462 nan 8.270 nan 0.000 0.411 292 W N 0.748 121.664 121.300 -0.641 0.000 2.894 292 W HA 0.725 5.385 4.660 -0.000 0.000 0.345 292 W C -1.004 175.147 176.519 -0.613 0.000 1.152 292 W CA -0.848 56.079 57.345 -0.697 0.000 1.089 292 W CB 0.685 29.621 29.460 -0.873 0.000 1.454 292 W HN 0.463 nan 8.180 nan 0.000 0.589 293 L N 1.816 122.993 121.223 -0.078 0.000 2.341 293 L HA 0.660 5.000 4.340 -0.000 0.000 0.267 293 L C -1.009 176.104 176.870 0.406 0.000 1.009 293 L CA -1.199 53.737 54.840 0.159 0.000 0.819 293 L CB 1.796 43.896 42.059 0.068 0.000 1.323 293 L HN 0.101 nan 8.230 nan 0.000 0.425 294 L N 2.097 123.644 121.223 0.541 0.000 2.401 294 L HA 0.605 4.945 4.340 -0.000 0.000 0.266 294 L C -1.524 175.669 176.870 0.539 0.000 0.991 294 L CA -0.300 54.830 54.840 0.482 0.000 0.818 294 L CB 2.042 44.156 42.059 0.092 0.000 1.321 294 L HN 0.474 nan 8.230 nan 0.000 0.413 295 Y N 2.242 122.769 120.300 0.378 0.000 2.504 295 Y HA 0.745 5.295 4.550 -0.000 0.000 0.344 295 Y C -1.160 174.887 175.900 0.245 0.000 1.023 295 Y CA -0.369 57.853 58.100 0.204 0.000 1.020 295 Y CB 2.123 40.508 38.460 -0.125 0.000 1.282 295 Y HN 0.732 nan 8.280 nan 0.000 0.454 296 T N 3.106 117.360 114.554 -0.500 0.000 2.876 296 T HA 0.617 4.967 4.350 -0.000 0.000 0.289 296 T C -1.501 172.847 174.700 -0.586 0.000 1.014 296 T CA -0.534 61.338 62.100 -0.379 0.000 0.986 296 T CB 1.900 70.722 68.868 -0.076 0.000 1.021 296 T HN 0.995 nan 8.240 nan 0.000 0.458 297 H N 0.896 119.721 119.070 -0.409 0.000 2.984 297 H HA 0.311 4.867 4.556 -0.000 0.000 0.298 297 H C -3.411 171.884 175.328 -0.054 0.000 1.378 297 H CA -0.961 54.933 56.048 -0.257 0.000 1.241 297 H CB 1.520 31.073 29.762 -0.349 0.000 1.894 297 H HN 0.435 nan 8.280 nan 0.000 0.511 298 P HA 0.074 nan 4.420 nan 0.000 0.270 298 P C 0.446 177.899 177.300 0.255 0.000 1.223 298 P CA 0.747 63.843 63.100 -0.007 0.000 0.785 298 P CB 0.711 32.337 31.700 -0.123 0.000 0.923 299 T N -3.553 111.100 114.554 0.165 0.000 3.040 299 T HA 0.066 4.416 4.350 -0.000 0.000 0.266 299 T C 0.520 175.291 174.700 0.118 0.000 1.005 299 T CA 0.151 62.351 62.100 0.166 0.000 0.906 299 T CB -0.458 68.461 68.868 0.086 0.000 1.082 299 T HN 0.336 nan 8.240 nan 0.000 0.531 300 H N 2.308 121.404 119.070 0.043 0.000 2.610 300 H HA 0.362 4.918 4.556 -0.000 0.000 0.336 300 H C 1.146 176.460 175.328 -0.025 0.000 1.087 300 H CA 0.607 56.671 56.048 0.026 0.000 1.405 300 H CB 1.875 31.671 29.762 0.057 0.000 1.460 300 H HN 0.343 nan 8.280 nan 0.000 0.538 301 S N 2.450 118.086 115.700 -0.108 0.000 2.528 301 S HA -0.040 4.430 4.470 -0.000 0.000 0.219 301 S C 1.280 175.693 174.600 -0.312 0.000 0.985 301 S CA -0.225 57.800 58.200 -0.291 0.000 0.914 301 S CB -0.001 62.841 63.200 -0.596 0.000 0.776 301 S HN 0.720 nan 8.310 nan 0.000 0.526 302 W N 2.119 123.685 121.300 0.444 0.000 2.901 302 W HA 0.383 5.043 4.660 -0.000 0.000 0.281 302 W C 1.100 177.689 176.519 0.117 0.000 1.167 302 W CA -0.592 56.907 57.345 0.256 0.000 1.506 302 W CB 0.397 30.021 29.460 0.273 0.000 0.985 302 W HN 0.381 nan 8.180 nan 0.000 0.590 303 Q N -0.417 119.506 119.800 0.206 0.000 2.693 303 Q HA 0.510 4.850 4.340 -0.000 0.000 0.306 303 Q C -0.647 175.335 176.000 -0.029 0.000 0.969 303 Q CA -1.219 54.578 55.803 -0.010 0.000 0.757 303 Q CB 1.064 29.699 28.738 -0.172 0.000 1.494 303 Q HN -0.111 nan 8.270 nan 0.000 0.459 304 R N 0.221 120.709 120.500 -0.020 0.000 2.248 304 R HA 0.685 5.025 4.340 -0.000 0.000 0.337 304 R C -0.960 175.306 176.300 -0.056 0.000 1.106 304 R CA 0.179 56.275 56.100 -0.006 0.000 0.959 304 R CB 0.783 31.102 30.300 0.031 0.000 1.075 304 R HN 0.608 nan 8.270 nan 0.000 0.480 305 A N 2.257 125.068 122.820 -0.015 0.000 2.601 305 A HA 0.385 4.705 4.320 -0.000 0.000 0.291 305 A C -1.393 176.221 177.584 0.050 0.000 1.075 305 A CA -0.962 51.070 52.037 -0.008 0.000 0.671 305 A CB 1.159 20.126 19.000 -0.056 0.000 1.277 305 A HN 0.673 nan 8.150 nan 0.000 0.417 306 D N -0.222 120.187 120.400 0.015 0.000 3.187 306 D HA -0.136 4.504 4.640 -0.000 0.000 0.244 306 D C -0.320 175.943 176.300 -0.061 0.000 1.114 306 D CA 0.985 54.978 54.000 -0.011 0.000 0.920 306 D CB -1.029 39.796 40.800 0.042 0.000 0.970 306 D HN 0.787 nan 8.370 nan 0.000 0.418 307 L N 0.729 121.861 121.223 -0.152 0.000 2.490 307 L HA 0.413 4.753 4.340 -0.000 0.000 0.274 307 L C 1.026 177.775 176.870 -0.202 0.000 1.201 307 L CA 1.044 55.756 54.840 -0.213 0.000 0.869 307 L CB 0.839 42.626 42.059 -0.453 0.000 1.123 307 L HN 0.338 nan 8.230 nan 0.000 0.484 308 G N 3.238 111.957 108.800 -0.135 0.000 2.574 308 G HA2 0.777 4.736 3.960 -0.000 0.000 0.299 308 G HA3 0.777 4.736 3.960 -0.000 0.000 0.299 308 G C -1.803 173.002 174.900 -0.158 0.000 1.298 308 G CA -0.307 44.666 45.100 -0.212 0.000 0.952 308 G HN 0.943 nan 8.290 nan 0.000 0.477 309 A N 0.184 122.869 122.820 -0.225 0.000 2.318 309 A HA 0.824 5.144 4.320 -0.000 0.000 0.324 309 A C -1.574 176.113 177.584 0.171 0.000 1.170 309 A CA -0.559 51.491 52.037 0.023 0.000 0.810 309 A CB 0.851 19.805 19.000 -0.075 0.000 1.198 309 A HN 0.591 nan 8.150 nan 0.000 0.484 310 Y N 0.794 121.329 120.300 0.392 0.000 2.485 310 Y HA 0.663 5.213 4.550 -0.000 0.000 0.345 310 Y C -0.305 175.917 175.900 0.537 0.000 0.998 310 Y CA -1.023 57.380 58.100 0.506 0.000 1.059 310 Y CB 2.037 40.749 38.460 0.420 0.000 1.234 310 Y HN 0.662 nan 8.280 nan 0.000 0.461 311 L N 2.819 124.257 121.223 0.359 0.000 2.354 311 L HA 0.627 4.967 4.340 -0.000 0.000 0.269 311 L C -1.174 175.561 176.870 -0.227 0.000 1.005 311 L CA -0.479 54.325 54.840 -0.060 0.000 0.819 311 L CB 1.761 43.266 42.059 -0.923 0.000 1.311 311 L HN 0.711 nan 8.230 nan 0.000 0.423 312 N N 4.701 123.085 118.700 -0.527 0.000 2.617 312 N HA 0.414 5.154 4.740 -0.000 0.000 0.263 312 N C -2.437 172.594 175.510 -0.798 0.000 1.074 312 N CA -1.585 50.925 53.050 -0.900 0.000 0.841 312 N CB 2.293 39.811 38.487 -1.616 0.000 1.221 312 N HN 0.446 nan 8.380 nan 0.000 0.529 313 P HA 0.116 nan 4.420 nan 0.000 0.249 313 P C -0.313 176.417 177.300 -0.950 0.000 1.229 313 P CA 0.338 62.450 63.100 -1.648 0.000 0.788 313 P CB 0.449 31.186 31.700 -1.606 0.000 1.072 314 R N 0.639 120.790 120.500 -0.583 0.000 2.638 314 R HA 0.282 4.622 4.340 -0.000 0.000 0.269 314 R C -2.520 173.608 176.300 -0.287 0.000 1.393 314 R CA -1.547 54.357 56.100 -0.326 0.000 1.531 314 R CB 0.827 30.967 30.300 -0.267 0.000 1.327 314 R HN 0.189 nan 8.270 nan 0.000 0.709 315 P HA 0.040 nan 4.420 nan 0.000 0.267 315 P C -2.040 175.188 177.300 -0.120 0.000 1.200 315 P CA -0.579 62.386 63.100 -0.224 0.000 0.772 315 P CB 0.791 32.392 31.700 -0.165 0.000 0.855 316 P HA 0.167 nan 4.420 nan 0.000 0.254 316 P C 0.133 177.354 177.300 -0.133 0.000 1.620 316 P CA -0.276 62.763 63.100 -0.101 0.000 1.050 316 P CB -0.119 31.576 31.700 -0.007 0.000 1.539 317 A N 2.476 125.190 122.820 -0.176 0.000 2.532 317 A HA 0.059 4.379 4.320 -0.000 0.000 0.269 317 A C -1.123 176.350 177.584 -0.185 0.000 1.079 317 A CA -0.408 51.533 52.037 -0.160 0.000 0.800 317 A CB -0.553 18.342 19.000 -0.176 0.000 1.000 317 A HN 0.135 nan 8.150 nan 0.000 0.522 318 P HA -0.221 nan 4.420 nan 0.000 0.217 318 P C 1.418 178.779 177.300 0.101 0.000 1.148 318 P CA 1.617 64.769 63.100 0.088 0.000 0.828 318 P CB 0.226 31.964 31.700 0.063 0.000 0.783 319 E N -0.283 119.914 120.200 -0.006 0.000 2.427 319 E HA -0.012 4.338 4.350 -0.000 0.000 0.196 319 E C 1.460 178.031 176.600 -0.049 0.000 1.028 319 E CA 0.903 57.300 56.400 -0.006 0.000 0.864 319 E CB -0.876 28.808 29.700 -0.027 0.000 0.813 319 E HN 0.137 nan 8.360 nan 0.000 0.514 320 A N 0.624 123.346 122.820 -0.164 0.000 2.238 320 A HA 0.076 4.396 4.320 -0.000 0.000 0.208 320 A C 0.189 177.601 177.584 -0.286 0.000 1.177 320 A CA -0.497 51.385 52.037 -0.258 0.000 0.804 320 A CB -0.771 18.008 19.000 -0.368 0.000 0.823 320 A HN 0.248 nan 8.150 nan 0.000 0.482 321 W N 1.781 123.015 121.300 -0.109 0.000 2.251 321 W HA 0.311 4.971 4.660 -0.000 0.000 0.327 321 W C 1.163 177.670 176.519 -0.019 0.000 1.361 321 W CA 0.402 57.702 57.345 -0.076 0.000 1.234 321 W CB 0.679 30.083 29.460 -0.093 0.000 1.212 321 W HN 0.331 nan 8.180 nan 0.000 0.557 322 S N 2.093 117.960 115.700 0.278 0.000 2.641 322 S HA 0.300 4.770 4.470 -0.000 0.000 0.261 322 S C 0.008 174.788 174.600 0.300 0.000 1.257 322 S CA -0.864 57.452 58.200 0.193 0.000 0.983 322 S CB 0.761 64.007 63.200 0.078 0.000 0.990 322 S HN 0.558 nan 8.310 nan 0.000 0.572 323 E N 1.923 122.241 120.200 0.198 0.000 2.373 323 E HA 0.299 4.649 4.350 -0.000 0.000 0.263 323 E C -2.090 174.531 176.600 0.036 0.000 1.073 323 E CA -1.828 54.652 56.400 0.134 0.000 0.894 323 E CB 0.204 29.948 29.700 0.074 0.000 1.008 323 E HN 0.543 nan 8.360 nan 0.000 0.420 324 P HA 0.066 nan 4.420 nan 0.000 0.276 324 P C -0.756 176.361 177.300 -0.306 0.000 1.244 324 P CA -0.225 62.501 63.100 -0.623 0.000 0.801 324 P CB 0.862 31.936 31.700 -1.043 0.000 1.006 325 V N 3.128 122.841 119.914 -0.335 0.000 2.459 325 V HA 0.152 4.272 4.120 -0.000 0.000 0.295 325 V C 0.488 176.390 176.094 -0.320 0.000 1.029 325 V CA -0.906 61.198 62.300 -0.327 0.000 0.874 325 V CB 1.388 32.908 31.823 -0.505 0.000 0.985 325 V HN 0.422 nan 8.190 nan 0.000 0.438 326 L N 5.550 126.623 121.223 -0.251 0.000 2.456 326 L HA 0.262 4.602 4.340 -0.000 0.000 0.277 326 L C 0.752 177.474 176.870 -0.246 0.000 1.124 326 L CA 0.800 55.511 54.840 -0.217 0.000 0.880 326 L CB 0.121 42.090 42.059 -0.149 0.000 1.192 326 L HN 0.621 nan 8.230 nan 0.000 0.463 327 L N 4.876 125.931 121.223 -0.280 0.000 2.249 327 L HA 0.384 4.724 4.340 -0.000 0.000 0.207 327 L C 0.699 177.425 176.870 -0.240 0.000 1.090 327 L CA 0.513 55.169 54.840 -0.307 0.000 0.802 327 L CB -0.207 41.628 42.059 -0.373 0.000 0.947 327 L HN 0.782 nan 8.230 nan 0.000 0.453 328 A N -0.141 122.539 122.820 -0.234 0.000 2.540 328 A HA 0.514 4.834 4.320 -0.000 0.000 0.297 328 A C -1.047 176.483 177.584 -0.092 0.000 1.056 328 A CA -0.729 51.219 52.037 -0.148 0.000 0.700 328 A CB 1.256 20.123 19.000 -0.221 0.000 1.280 328 A HN -0.073 nan 8.150 nan 0.000 0.398 329 K N 1.008 121.389 120.400 -0.033 0.000 2.098 329 K HA 0.672 4.992 4.320 -0.000 0.000 0.261 329 K C 0.720 177.325 176.600 0.008 0.000 0.987 329 K CA 0.380 56.660 56.287 -0.012 0.000 0.916 329 K CB 1.448 33.946 32.500 -0.004 0.000 1.039 329 K HN 1.936 nan 8.250 nan 0.000 0.455 330 G N 0.905 109.713 108.800 0.014 0.000 2.693 330 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.226 330 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.226 330 G C -0.279 174.613 174.900 -0.014 0.000 1.354 330 G CA -0.295 44.808 45.100 0.006 0.000 0.873 330 G HN 0.553 nan 8.290 nan 0.000 0.562 331 S N -0.886 114.791 115.700 -0.039 0.000 2.737 331 S HA 0.349 4.819 4.470 -0.000 0.000 0.315 331 S C 0.322 174.887 174.600 -0.058 0.000 1.236 331 S CA 0.771 58.922 58.200 -0.082 0.000 1.093 331 S CB -1.400 61.728 63.200 -0.120 0.000 0.832 331 S HN 1.422 nan 8.310 nan 0.000 0.507 332 C N 3.959 123.224 119.300 -0.060 0.000 2.880 332 C HA 0.854 5.314 4.460 -0.000 0.000 0.320 332 C C 0.757 175.739 174.990 -0.013 0.000 1.176 332 C CA -0.212 58.812 59.018 0.009 0.000 1.390 332 C CB 1.129 28.860 27.740 -0.015 0.000 1.846 332 C HN 1.085 nan 8.230 nan 0.000 0.478 333 A N 0.971 123.835 122.820 0.073 0.000 2.905 333 A HA 0.774 5.094 4.320 -0.000 0.000 0.193 333 A C -0.966 176.769 177.584 0.251 0.000 1.268 333 A CA -0.033 52.101 52.037 0.162 0.000 1.416 333 A CB -0.490 18.686 19.000 0.293 0.000 1.753 333 A HN 0.677 nan 8.150 nan 0.000 0.583 334 Y N 1.516 121.877 120.300 0.101 0.000 2.652 334 Y HA 0.389 4.939 4.550 -0.000 0.000 0.344 334 Y C 1.217 177.202 175.900 0.142 0.000 1.254 334 Y CA 0.417 58.576 58.100 0.098 0.000 1.480 334 Y CB 0.339 38.874 38.460 0.126 0.000 1.345 334 Y HN 0.727 nan 8.280 nan 0.000 0.617 335 S N 0.451 116.293 115.700 0.237 0.000 2.615 335 S HA 0.659 5.129 4.470 -0.000 0.000 0.269 335 S C -1.880 172.858 174.600 0.230 0.000 1.161 335 S CA -0.987 57.359 58.200 0.245 0.000 0.817 335 S CB 2.952 66.261 63.200 0.181 0.000 1.131 335 S HN 0.488 nan 8.310 nan 0.000 0.467 336 D N -0.152 120.413 120.400 0.276 0.000 2.927 336 D HA 0.581 5.221 4.640 -0.000 0.000 0.219 336 D C -1.388 175.096 176.300 0.307 0.000 1.248 336 D CA -0.312 53.877 54.000 0.315 0.000 0.861 336 D CB 1.642 42.660 40.800 0.363 0.000 1.677 336 D HN 0.660 nan 8.370 nan 0.000 0.511 337 L N 2.095 123.489 121.223 0.286 0.000 2.322 337 L HA 0.653 4.993 4.340 -0.000 0.000 0.269 337 L C -0.290 176.605 176.870 0.041 0.000 1.012 337 L CA -0.750 54.204 54.840 0.190 0.000 0.815 337 L CB 1.758 43.929 42.059 0.186 0.000 1.295 337 L HN 0.244 nan 8.230 nan 0.000 0.438 338 Q N 0.912 120.766 119.800 0.091 0.000 2.309 338 Q HA 0.272 4.612 4.340 -0.000 0.000 0.273 338 Q C -1.233 174.828 176.000 0.101 0.000 1.040 338 Q CA -0.430 55.407 55.803 0.056 0.000 0.834 338 Q CB 2.490 31.308 28.738 0.133 0.000 1.345 338 Q HN 0.571 nan 8.270 nan 0.000 0.414 339 S N 2.187 117.951 115.700 0.106 0.000 2.489 339 S HA 0.426 4.896 4.470 -0.000 0.000 0.277 339 S C 0.467 174.932 174.600 -0.225 0.000 1.230 339 S CA -0.156 58.070 58.200 0.043 0.000 1.053 339 S CB 0.220 63.527 63.200 0.178 0.000 0.955 339 S HN 0.611 nan 8.310 nan 0.000 0.488 340 M N 4.547 123.841 119.600 -0.509 0.000 2.484 340 M HA 0.309 4.789 4.480 -0.000 0.000 0.307 340 M C 0.993 176.907 176.300 -0.643 0.000 1.149 340 M CA 0.122 54.853 55.300 -0.948 0.000 0.972 340 M CB 0.160 32.144 32.600 -1.026 0.000 1.400 340 M HN 0.973 nan 8.290 nan 0.000 0.508 341 G N 0.619 109.197 108.800 -0.369 0.000 2.527 341 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.227 341 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.227 341 G C -0.425 174.309 174.900 -0.276 0.000 1.291 341 G CA -0.717 44.246 45.100 -0.228 0.000 0.904 341 G HN 0.223 nan 8.290 nan 0.000 0.577 342 T N 1.751 116.191 114.554 -0.190 0.000 2.794 342 T HA 0.566 4.916 4.350 -0.000 0.000 0.296 342 T C 1.088 175.671 174.700 -0.195 0.000 0.949 342 T CA 0.701 62.701 62.100 -0.167 0.000 1.101 342 T CB 1.086 69.903 68.868 -0.085 0.000 0.905 342 T HN 1.373 nan 8.240 nan 0.000 0.516 343 G N 3.202 111.876 108.800 -0.210 0.000 2.557 343 G HA2 0.378 4.338 3.960 -0.000 0.000 0.292 343 G HA3 0.378 4.338 3.960 -0.000 0.000 0.292 343 G C -1.521 173.322 174.900 -0.095 0.000 1.237 343 G CA -1.490 43.503 45.100 -0.178 0.000 0.978 343 G HN 0.388 nan 8.290 nan 0.000 0.498 344 P HA -0.048 nan 4.420 nan 0.000 0.218 344 P C 0.757 177.992 177.300 -0.108 0.000 1.148 344 P CA 1.449 64.495 63.100 -0.090 0.000 0.822 344 P CB 0.149 31.694 31.700 -0.257 0.000 0.784 345 D N -2.502 117.819 120.400 -0.132 0.000 2.358 345 D HA 0.197 4.837 4.640 -0.000 0.000 0.224 345 D C 1.324 177.561 176.300 -0.105 0.000 1.123 345 D CA 0.096 54.022 54.000 -0.124 0.000 0.833 345 D CB -0.895 39.809 40.800 -0.160 0.000 0.946 345 D HN 0.174 nan 8.370 nan 0.000 0.505 346 G N 0.053 108.805 108.800 -0.081 0.000 2.184 346 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.264 346 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.264 346 G C 0.416 175.291 174.900 -0.040 0.000 0.975 346 G CA 0.580 45.652 45.100 -0.047 0.000 0.642 346 G HN 0.876 nan 8.290 nan 0.000 0.536 347 S N -0.317 115.325 115.700 -0.097 0.000 2.681 347 S HA 0.793 5.263 4.470 -0.000 0.000 0.299 347 S C -2.608 171.893 174.600 -0.166 0.000 1.113 347 S CA -1.675 56.487 58.200 -0.064 0.000 1.013 347 S CB 2.678 65.784 63.200 -0.157 0.000 1.076 347 S HN 0.039 nan 8.310 nan 0.000 0.534 348 P HA 0.152 nan 4.420 nan 0.000 0.264 348 P C -0.940 175.823 177.300 -0.896 0.000 1.183 348 P CA -0.123 62.663 63.100 -0.522 0.000 0.763 348 P CB 0.201 31.559 31.700 -0.570 0.000 0.807 349 L N 5.309 125.977 121.223 -0.926 0.000 2.309 349 L HA 0.612 4.952 4.340 -0.000 0.000 0.282 349 L C -1.216 174.978 176.870 -1.127 0.000 1.036 349 L CA -0.118 54.202 54.840 -0.867 0.000 0.806 349 L CB 0.122 41.827 42.059 -0.590 0.000 1.220 349 L HN 0.154 nan 8.230 nan 0.000 0.429 350 F N 2.396 122.052 119.950 -0.489 0.000 2.576 350 F HA 0.784 5.311 4.527 -0.000 0.000 0.313 350 F C 0.625 176.108 175.800 -0.528 0.000 1.078 350 F CA -0.731 56.936 58.000 -0.554 0.000 0.921 350 F CB 2.150 40.679 39.000 -0.785 0.000 1.232 350 F HN 0.562 nan 8.300 nan 0.000 0.459 351 G N 0.073 108.839 108.800 -0.057 0.000 2.495 351 G HA2 0.555 4.515 3.960 -0.000 0.000 0.318 351 G HA3 0.555 4.515 3.960 -0.000 0.000 0.318 351 G C -2.004 172.984 174.900 0.148 0.000 1.257 351 G CA -0.818 44.344 45.100 0.104 0.000 0.962 351 G HN 0.908 nan 8.290 nan 0.000 0.483 352 C N 3.126 122.484 119.300 0.096 0.000 2.608 352 C HA 0.755 5.215 4.460 -0.000 0.000 0.325 352 C C -1.199 173.993 174.990 0.337 0.000 1.147 352 C CA -0.760 58.404 59.018 0.243 0.000 1.359 352 C CB 0.610 28.517 27.740 0.278 0.000 1.912 352 C HN 0.695 nan 8.230 nan 0.000 0.466 353 L N 6.650 128.112 121.223 0.399 0.000 2.322 353 L HA 0.818 5.158 4.340 -0.000 0.000 0.281 353 L C -0.642 176.448 176.870 0.367 0.000 1.014 353 L CA -0.003 55.059 54.840 0.370 0.000 0.815 353 L CB 1.397 43.669 42.059 0.356 0.000 1.247 353 L HN 0.786 nan 8.230 nan 0.000 0.421 354 Y N 0.899 121.304 120.300 0.175 0.000 2.544 354 Y HA 0.633 5.183 4.550 -0.000 0.000 0.342 354 Y C -0.944 175.032 175.900 0.127 0.000 1.062 354 Y CA -1.173 57.013 58.100 0.143 0.000 1.023 354 Y CB 0.960 39.476 38.460 0.094 0.000 1.308 354 Y HN 0.610 nan 8.280 nan 0.000 0.457 355 E N 2.194 122.545 120.200 0.251 0.000 2.354 355 E HA 0.640 4.990 4.350 -0.000 0.000 0.269 355 E C -0.755 175.922 176.600 0.128 0.000 1.036 355 E CA -0.419 56.067 56.400 0.143 0.000 0.876 355 E CB 1.357 31.177 29.700 0.200 0.000 1.009 355 E HN 0.825 nan 8.360 nan 0.000 0.416 356 A N 2.748 125.571 122.820 0.006 0.000 2.566 356 A HA 0.494 4.814 4.320 -0.000 0.000 0.292 356 A C -0.789 176.751 177.584 -0.072 0.000 1.112 356 A CA -0.977 51.064 52.037 0.006 0.000 0.707 356 A CB 0.826 19.870 19.000 0.073 0.000 1.302 356 A HN 0.791 nan 8.150 nan 0.000 0.409 357 N N 1.034 119.691 118.700 -0.072 0.000 2.642 357 N HA -0.160 4.580 4.740 -0.000 0.000 0.269 357 N C -0.412 175.037 175.510 -0.102 0.000 1.073 357 N CA 1.403 54.410 53.050 -0.072 0.000 0.748 357 N CB -0.656 37.818 38.487 -0.021 0.000 0.894 357 N HN 0.956 nan 8.380 nan 0.000 0.548 358 D N -0.133 120.138 120.400 -0.215 0.000 2.772 358 D HA -0.267 4.373 4.640 -0.000 0.000 0.233 358 D C -0.669 175.601 176.300 -0.050 0.000 1.143 358 D CA 1.507 55.401 54.000 -0.177 0.000 0.700 358 D CB -1.203 39.594 40.800 -0.006 0.000 1.076 358 D HN 0.668 nan 8.370 nan 0.000 0.430 359 Y N -2.459 117.855 120.300 0.024 0.000 3.929 359 Y HA -0.284 4.266 4.550 -0.000 0.000 0.225 359 Y C 1.359 177.279 175.900 0.034 0.000 1.200 359 Y CA 1.147 59.258 58.100 0.018 0.000 1.791 359 Y CB -2.241 36.213 38.460 -0.009 0.000 1.561 359 Y HN 0.438 nan 8.280 nan 0.000 0.657 360 E N 0.604 120.866 120.200 0.103 0.000 2.481 360 E HA 0.110 4.459 4.350 -0.000 0.000 0.198 360 E C 0.742 177.402 176.600 0.100 0.000 1.027 360 E CA 0.706 57.168 56.400 0.103 0.000 0.900 360 E CB 0.462 30.202 29.700 0.066 0.000 0.993 360 E HN 0.757 nan 8.360 nan 0.000 0.482 361 E N 0.165 120.413 120.200 0.081 0.000 2.416 361 E HA 0.450 4.800 4.350 -0.000 0.000 0.280 361 E C -1.225 175.397 176.600 0.036 0.000 1.055 361 E CA -0.750 55.686 56.400 0.060 0.000 0.825 361 E CB 1.217 30.920 29.700 0.004 0.000 1.312 361 E HN -0.108 nan 8.360 nan 0.000 0.452 362 I N 1.685 122.275 120.570 0.034 0.000 2.478 362 I HA 0.354 4.524 4.170 -0.000 0.000 0.287 362 I C -0.915 175.123 176.117 -0.132 0.000 1.042 362 I CA -1.184 60.116 61.300 0.001 0.000 1.067 362 I CB 2.029 40.151 38.000 0.204 0.000 1.233 362 I HN 0.349 nan 8.210 nan 0.000 0.431 363 V N 6.051 125.729 119.914 -0.394 0.000 2.547 363 V HA 0.376 4.496 4.120 -0.000 0.000 0.299 363 V C -0.595 175.382 176.094 -0.194 0.000 1.040 363 V CA -0.704 61.346 62.300 -0.418 0.000 0.913 363 V CB 1.968 33.337 31.823 -0.756 0.000 0.992 363 V HN 0.457 nan 8.190 nan 0.000 0.449 364 F N 5.264 125.130 119.950 -0.140 0.000 2.427 364 F HA 0.764 5.291 4.527 -0.000 0.000 0.346 364 F C -0.908 175.005 175.800 0.187 0.000 1.120 364 F CA -0.856 57.170 58.000 0.044 0.000 1.033 364 F CB 1.299 40.319 39.000 0.034 0.000 1.126 364 F HN 0.342 nan 8.300 nan 0.000 0.462 365 L N 7.275 128.177 121.223 -0.535 0.000 2.365 365 L HA 0.616 4.956 4.340 -0.000 0.000 0.273 365 L C -1.114 175.371 176.870 -0.641 0.000 1.000 365 L CA -0.561 54.083 54.840 -0.328 0.000 0.819 365 L CB 1.831 43.979 42.059 0.148 0.000 1.284 365 L HN 0.828 nan 8.230 nan 0.000 0.418 366 M N 5.383 124.790 119.600 -0.321 0.000 2.327 366 M HA 0.689 5.169 4.480 -0.000 0.000 0.298 366 M C -1.783 174.573 176.300 0.094 0.000 1.065 366 M CA -0.443 54.736 55.300 -0.201 0.000 0.916 366 M CB 1.387 33.979 32.600 -0.013 0.000 1.630 366 M HN 0.526 nan 8.290 nan 0.000 0.442 367 F N 0.494 120.457 119.950 0.021 0.000 2.741 367 F HA 0.868 5.395 4.527 -0.000 0.000 0.313 367 F C -0.902 174.943 175.800 0.076 0.000 1.153 367 F CA -0.757 57.266 58.000 0.038 0.000 0.931 367 F CB 0.838 39.852 39.000 0.023 0.000 1.335 367 F HN 0.575 nan 8.300 nan 0.000 0.460 368 T N -0.947 113.763 114.554 0.261 0.000 2.949 368 T HA 0.445 4.795 4.350 -0.000 0.000 0.287 368 T C 0.345 175.263 174.700 0.363 0.000 1.034 368 T CA -0.552 61.614 62.100 0.110 0.000 1.018 368 T CB 1.687 70.525 68.868 -0.051 0.000 1.135 368 T HN 0.919 nan 8.240 nan 0.000 0.532 369 L N 0.729 122.135 121.223 0.306 0.000 2.093 369 L HA 0.190 4.530 4.340 -0.000 0.000 0.208 369 L C 2.600 179.685 176.870 0.358 0.000 1.085 369 L CA 1.833 56.988 54.840 0.525 0.000 0.755 369 L CB -0.898 41.480 42.059 0.531 0.000 0.904 369 L HN 0.892 nan 8.230 nan 0.000 0.435 370 K N -1.184 119.233 120.400 0.028 0.000 2.147 370 K HA -0.192 4.128 4.320 -0.000 0.000 0.205 370 K C 2.044 178.636 176.600 -0.013 0.000 1.049 370 K CA 1.493 57.672 56.287 -0.181 0.000 0.936 370 K CB -0.000 32.197 32.500 -0.504 0.000 0.722 370 K HN 0.508 nan 8.250 nan 0.000 0.446 371 Q N -0.504 119.312 119.800 0.026 0.000 2.049 371 Q HA -0.080 4.260 4.340 -0.000 0.000 0.198 371 Q C 2.108 178.067 176.000 -0.067 0.000 0.971 371 Q CA 1.417 57.221 55.803 0.002 0.000 0.833 371 Q CB -0.049 28.716 28.738 0.045 0.000 0.896 371 Q HN 0.374 nan 8.270 nan 0.000 0.434 372 A N 0.086 122.867 122.820 -0.065 0.000 1.929 372 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 372 A C 0.504 177.657 177.584 -0.718 0.000 1.176 372 A CA 0.889 52.657 52.037 -0.448 0.000 0.628 372 A CB 0.094 18.821 19.000 -0.455 0.000 0.816 372 A HN 0.296 nan 8.150 nan 0.000 0.444 373 F N -0.438 119.605 119.950 0.154 0.000 2.584 373 F HA 0.311 4.838 4.527 -0.000 0.000 0.328 373 F C -1.746 174.194 175.800 0.234 0.000 1.407 373 F CA -2.024 56.083 58.000 0.178 0.000 1.145 373 F CB 1.336 40.474 39.000 0.231 0.000 1.440 373 F HN 0.085 nan 8.300 nan 0.000 0.580 374 P HA -0.201 nan 4.420 nan 0.000 0.221 374 P C 1.459 178.929 177.300 0.284 0.000 1.145 374 P CA 1.279 64.518 63.100 0.233 0.000 0.795 374 P CB 0.348 32.109 31.700 0.103 0.000 0.775 375 A N 0.508 123.481 122.820 0.256 0.000 1.972 375 A HA -0.182 4.137 4.320 -0.000 0.000 0.219 375 A C 2.152 179.860 177.584 0.206 0.000 1.169 375 A CA 1.579 53.735 52.037 0.199 0.000 0.635 375 A CB -1.126 17.974 19.000 0.167 0.000 0.810 375 A HN 0.087 nan 8.150 nan 0.000 0.446 376 E N -1.576 118.796 120.200 0.285 0.000 2.338 376 E HA 0.006 4.356 4.350 -0.000 0.000 0.197 376 E C -0.285 176.300 176.600 -0.026 0.000 1.007 376 E CA 0.633 57.133 56.400 0.167 0.000 0.849 376 E CB -0.153 29.710 29.700 0.271 0.000 0.774 376 E HN 0.739 nan 8.360 nan 0.000 0.506 377 Y N 0.000 120.391 120.300 0.151 0.000 2.660 377 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 377 Y CA 0.000 58.167 58.100 0.112 0.000 1.940 377 Y CB 0.000 38.522 38.460 0.104 0.000 1.050 377 Y HN 0.000 nan 8.280 nan 0.000 0.758