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 2q7y_1_C DATA FIRST_RESID 7 DATA SEQUENCE NYTFRCLQMS SFANRSWSRT DSVVWLGDLQ THRWSNDSAT ISFTKPWSQG DATA SEQUENCE KLSNQQWEKL QHMFQVYRVS FTRDIQELVK MMSPKEDYPI EIQLSAGcEM DATA SEQUENCE YPGNASESFL HVAFQGKYVV RFWGTSWQTV PGAPSWLDLP IKVLNADQGT DATA SEQUENCE SATVQMLLND TcPLFVRGLL EAGKSDLEKQ EKPVAWLSSV PXXXXGHRQL DATA SEQUENCE VcHVSGFYPK PVWVMWMRGD QEQQGTHRGD FLPNADETWY LQATLDVEAG DATA SEQUENCE EEAGLAcRVK HSSLGGQDII LYW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 N HA 0.000 nan 4.740 nan 0.000 0.220 7 N C 0.000 175.380 175.510 -0.216 0.000 1.280 7 N CA 0.000 53.029 53.050 -0.036 0.000 0.885 7 N CB 0.000 38.491 38.487 0.007 0.000 1.341 8 Y N 0.471 120.779 120.300 0.013 0.000 2.462 8 Y HA 0.477 5.027 4.550 -0.000 0.000 0.346 8 Y C 0.367 176.308 175.900 0.069 0.000 0.976 8 Y CA -0.443 57.692 58.100 0.058 0.000 1.044 8 Y CB 2.322 40.828 38.460 0.078 0.000 1.230 8 Y HN 0.172 nan 8.280 nan 0.000 0.455 9 T N 3.988 118.717 114.554 0.292 0.000 2.771 9 T HA 0.340 4.689 4.350 -0.000 0.000 0.281 9 T C -1.379 173.575 174.700 0.424 0.000 0.982 9 T CA -0.461 61.818 62.100 0.298 0.000 0.978 9 T CB 0.319 69.310 68.868 0.205 0.000 0.930 9 T HN 0.373 nan 8.240 nan 0.000 0.447 10 F N 3.898 124.010 119.950 0.271 0.000 2.411 10 F HA 0.588 5.115 4.527 -0.000 0.000 0.352 10 F C 0.070 176.061 175.800 0.318 0.000 1.123 10 F CA -1.039 57.124 58.000 0.270 0.000 1.044 10 F CB 0.673 39.784 39.000 0.185 0.000 1.135 10 F HN 0.364 nan 8.300 nan 0.000 0.461 11 R N 5.695 126.117 120.500 -0.131 0.000 2.439 11 R HA 0.472 4.812 4.340 -0.000 0.000 0.310 11 R C -1.519 174.685 176.300 -0.159 0.000 0.955 11 R CA -0.701 55.416 56.100 0.028 0.000 0.853 11 R CB 1.322 31.768 30.300 0.242 0.000 1.171 11 R HN 0.634 nan 8.270 nan 0.000 0.449 12 C N 5.007 124.213 119.300 -0.157 0.000 2.265 12 C HA 0.436 4.895 4.460 -0.000 0.000 0.332 12 C C 0.153 175.192 174.990 0.081 0.000 1.248 12 C CA -0.704 58.265 59.018 -0.082 0.000 1.727 12 C CB -0.370 27.315 27.740 -0.092 0.000 2.348 12 C HN 0.615 nan 8.230 nan 0.000 0.519 13 L N 4.204 125.504 121.223 0.128 0.000 2.298 13 L HA 0.499 4.839 4.340 -0.000 0.000 0.284 13 L C -0.024 176.927 176.870 0.136 0.000 1.013 13 L CA 0.001 54.945 54.840 0.172 0.000 0.824 13 L CB 0.948 43.152 42.059 0.241 0.000 1.221 13 L HN 0.693 nan 8.230 nan 0.000 0.418 14 Q N 4.230 124.107 119.800 0.128 0.000 2.316 14 Q HA 0.643 4.983 4.340 -0.000 0.000 0.264 14 Q C -1.379 174.677 176.000 0.094 0.000 0.987 14 Q CA -0.719 55.136 55.803 0.087 0.000 0.852 14 Q CB 2.049 30.828 28.738 0.069 0.000 1.287 14 Q HN 0.612 nan 8.270 nan 0.000 0.448 15 M N 2.240 121.879 119.600 0.065 0.000 2.142 15 M HA 0.375 4.855 4.480 -0.000 0.000 0.299 15 M C -1.167 175.164 176.300 0.053 0.000 0.960 15 M CA -0.381 54.973 55.300 0.091 0.000 0.920 15 M CB 2.373 35.026 32.600 0.089 0.000 1.541 15 M HN 0.377 nan 8.290 nan 0.000 0.429 16 S N 1.377 117.152 115.700 0.125 0.000 2.478 16 S HA 0.664 5.133 4.470 -0.000 0.000 0.312 16 S C -0.633 174.033 174.600 0.109 0.000 1.094 16 S CA -0.813 57.431 58.200 0.073 0.000 1.081 16 S CB 1.705 65.098 63.200 0.323 0.000 1.007 16 S HN 0.611 nan 8.310 nan 0.000 0.475 17 S N 2.350 118.003 115.700 -0.078 0.000 2.473 17 S HA 0.651 5.121 4.470 -0.000 0.000 0.307 17 S C -1.191 173.373 174.600 -0.060 0.000 1.094 17 S CA -0.579 57.683 58.200 0.103 0.000 1.070 17 S CB 0.355 63.695 63.200 0.234 0.000 1.019 17 S HN 0.550 nan 8.310 nan 0.000 0.480 18 F N 1.545 121.686 119.950 0.317 0.000 2.434 18 F HA 0.511 5.038 4.527 0.001 0.000 0.355 18 F C 0.883 176.857 175.800 0.290 0.000 1.115 18 F CA -0.866 57.326 58.000 0.319 0.000 1.010 18 F CB 1.131 40.399 39.000 0.446 0.000 1.234 18 F HN 0.732 nan 8.300 nan 0.000 0.439 19 A N 2.939 125.949 122.820 0.317 0.000 1.935 19 A HA 0.179 4.499 4.320 -0.000 0.000 0.214 19 A C 0.529 178.057 177.584 -0.093 0.000 1.178 19 A CA 1.244 53.332 52.037 0.086 0.000 0.640 19 A CB -0.283 18.623 19.000 -0.158 0.000 0.825 19 A HN 0.782 nan 8.150 nan 0.000 0.447 20 N N -3.884 114.578 118.700 -0.398 0.000 3.308 20 N HA 0.249 4.989 4.740 -0.000 0.000 0.276 20 N C -0.145 174.779 175.510 -0.976 0.000 1.533 20 N CA -0.468 52.124 53.050 -0.765 0.000 0.878 20 N CB 0.325 38.680 38.487 -0.221 0.000 1.566 20 N HN -0.090 nan 8.380 nan 0.000 0.546 21 R N -0.728 119.439 120.500 -0.556 0.000 2.159 21 R HA -0.003 4.337 4.340 -0.000 0.000 0.237 21 R C 0.778 177.029 176.300 -0.083 0.000 1.131 21 R CA 1.803 57.796 56.100 -0.177 0.000 0.982 21 R CB -0.295 30.027 30.300 0.036 0.000 0.868 21 R HN 0.585 nan 8.270 nan 0.000 0.453 22 S N -1.502 114.162 115.700 -0.061 0.000 2.568 22 S HA 0.120 4.590 4.470 -0.000 0.000 0.232 22 S C -1.163 173.482 174.600 0.075 0.000 0.975 22 S CA -0.694 57.511 58.200 0.009 0.000 0.949 22 S CB 0.180 63.394 63.200 0.024 0.000 0.829 22 S HN 0.396 nan 8.310 nan 0.000 0.479 23 W N 1.467 122.677 121.300 -0.151 0.000 3.132 23 W HA 0.576 5.235 4.660 -0.001 0.000 0.337 23 W C -0.892 175.531 176.519 -0.160 0.000 1.082 23 W CA -0.271 56.993 57.345 -0.135 0.000 1.242 23 W CB 1.399 30.785 29.460 -0.123 0.000 1.354 23 W HN 0.160 nan 8.180 nan 0.000 0.461 24 S N 4.841 120.214 115.700 -0.546 0.000 2.587 24 S HA 0.855 5.325 4.470 -0.000 0.000 0.269 24 S C -1.326 172.721 174.600 -0.921 0.000 1.154 24 S CA -1.262 56.557 58.200 -0.635 0.000 0.824 24 S CB 2.223 65.060 63.200 -0.606 0.000 1.118 24 S HN 0.784 nan 8.310 nan 0.000 0.462 25 R N -0.045 120.005 120.500 -0.750 0.000 2.680 25 R HA 0.797 5.136 4.340 -0.000 0.000 0.269 25 R C -1.738 174.318 176.300 -0.406 0.000 1.026 25 R CA -0.827 54.930 56.100 -0.571 0.000 0.889 25 R CB 1.551 31.524 30.300 -0.544 0.000 1.241 25 R HN 0.566 nan 8.270 nan 0.000 0.463 26 T N 1.304 115.644 114.554 -0.358 0.000 2.879 26 T HA 0.404 4.754 4.350 -0.000 0.000 0.290 26 T C -1.485 173.027 174.700 -0.313 0.000 0.993 26 T CA -0.705 61.219 62.100 -0.294 0.000 0.975 26 T CB 1.295 69.973 68.868 -0.317 0.000 0.981 26 T HN 0.510 nan 8.240 nan 0.000 0.439 27 D N 1.669 121.953 120.400 -0.194 0.000 2.738 27 D HA 0.592 5.232 4.640 -0.000 0.000 0.237 27 D C -0.762 175.500 176.300 -0.065 0.000 1.123 27 D CA -0.534 53.372 54.000 -0.156 0.000 0.856 27 D CB 2.460 43.212 40.800 -0.079 0.000 1.552 27 D HN 0.338 nan 8.370 nan 0.000 0.480 28 S N 0.229 115.923 115.700 -0.010 0.000 2.568 28 S HA 0.706 5.175 4.470 -0.000 0.000 0.293 28 S C -0.424 174.224 174.600 0.080 0.000 1.089 28 S CA -0.753 57.489 58.200 0.070 0.000 0.945 28 S CB 2.204 65.489 63.200 0.142 0.000 1.077 28 S HN 0.390 nan 8.310 nan 0.000 0.485 29 V N -0.511 119.442 119.914 0.063 0.000 3.007 29 V HA 0.935 5.055 4.120 -0.000 0.000 0.311 29 V C -1.104 174.943 176.094 -0.079 0.000 1.120 29 V CA -0.754 61.525 62.300 -0.035 0.000 0.980 29 V CB 1.584 33.377 31.823 -0.049 0.000 1.033 29 V HN 0.569 nan 8.190 nan 0.000 0.429 30 V N 2.321 122.105 119.914 -0.216 0.000 2.656 30 V HA 0.616 4.735 4.120 -0.000 0.000 0.307 30 V C -1.234 174.675 176.094 -0.309 0.000 1.051 30 V CA -0.334 61.867 62.300 -0.165 0.000 0.893 30 V CB 1.906 33.727 31.823 -0.002 0.000 0.999 30 V HN 1.007 nan 8.190 nan 0.000 0.426 31 W N 4.296 125.575 121.300 -0.036 0.000 2.702 31 W HA 0.731 5.391 4.660 -0.001 0.000 0.331 31 W C -0.818 175.787 176.519 0.144 0.000 1.049 31 W CA -0.655 56.734 57.345 0.075 0.000 1.230 31 W CB 1.923 31.434 29.460 0.085 0.000 1.408 31 W HN 0.378 nan 8.180 nan 0.000 0.492 32 L N 4.321 125.861 121.223 0.528 0.000 2.295 32 L HA 0.773 5.112 4.340 -0.000 0.000 0.281 32 L C 0.629 177.826 176.870 0.545 0.000 1.018 32 L CA 0.646 55.822 54.840 0.559 0.000 0.841 32 L CB 0.250 42.620 42.059 0.518 0.000 1.218 32 L HN 0.786 nan 8.230 nan 0.000 0.424 33 G N 4.656 113.773 108.800 0.528 0.000 2.591 33 G HA2 -0.382 3.577 3.960 -0.000 0.000 0.298 33 G HA3 -0.382 3.577 3.960 -0.000 0.000 0.298 33 G C 0.268 175.425 174.900 0.429 0.000 1.195 33 G CA 0.565 45.949 45.100 0.473 0.000 0.989 33 G HN 0.962 nan 8.290 nan 0.000 0.551 34 D N 0.669 121.352 120.400 0.471 0.000 2.388 34 D HA 0.338 4.977 4.640 -0.000 0.000 0.221 34 D C 0.792 177.472 176.300 0.633 0.000 1.133 34 D CA 0.018 54.306 54.000 0.479 0.000 0.831 34 D CB -0.127 41.009 40.800 0.561 0.000 0.962 34 D HN 0.537 nan 8.370 nan 0.000 0.502 35 L N 0.691 122.307 121.223 0.654 0.000 2.313 35 L HA 0.350 4.690 4.340 -0.000 0.000 0.283 35 L C 0.142 177.209 176.870 0.329 0.000 1.013 35 L CA -0.939 54.187 54.840 0.477 0.000 0.816 35 L CB 2.350 44.633 42.059 0.374 0.000 1.236 35 L HN -0.056 nan 8.230 nan 0.000 0.419 36 Q N 1.136 120.881 119.800 -0.091 0.000 2.296 36 Q HA 0.121 4.461 4.340 -0.000 0.000 0.262 36 Q C 0.560 176.323 176.000 -0.395 0.000 0.981 36 Q CA 0.037 55.454 55.803 -0.643 0.000 0.905 36 Q CB 1.174 29.335 28.738 -0.960 0.000 1.186 36 Q HN 0.814 nan 8.270 nan 0.000 0.399 37 T N -0.115 114.238 114.554 -0.336 0.000 2.969 37 T HA 0.194 4.544 4.350 -0.000 0.000 0.250 37 T C -0.153 174.193 174.700 -0.589 0.000 1.021 37 T CA 0.125 61.948 62.100 -0.461 0.000 1.003 37 T CB 0.184 68.908 68.868 -0.241 0.000 1.040 37 T HN 0.670 nan 8.240 nan 0.000 0.492 38 H N 0.717 119.682 119.070 -0.176 0.000 3.016 38 H HA 0.764 5.320 4.556 -0.000 0.000 0.362 38 H C -0.672 174.587 175.328 -0.115 0.000 1.233 38 H CA -1.164 54.843 56.048 -0.068 0.000 1.124 38 H CB 1.536 31.337 29.762 0.065 0.000 1.850 38 H HN 0.384 nan 8.280 nan 0.000 0.549 39 R N 0.593 121.154 120.500 0.101 0.000 2.725 39 R HA 0.536 4.876 4.340 -0.000 0.000 0.277 39 R C -1.980 174.448 176.300 0.214 0.000 0.987 39 R CA -1.036 55.115 56.100 0.085 0.000 0.901 39 R CB 1.962 32.268 30.300 0.010 0.000 1.207 39 R HN 0.566 nan 8.270 nan 0.000 0.463 40 W N 3.074 124.356 121.300 -0.030 0.000 2.591 40 W HA 0.397 5.056 4.660 -0.000 0.000 0.311 40 W C -1.046 175.450 176.519 -0.038 0.000 1.003 40 W CA -0.976 56.349 57.345 -0.034 0.000 1.332 40 W CB 1.765 31.196 29.460 -0.049 0.000 1.272 40 W HN 0.698 nan 8.180 nan 0.000 0.412 41 S N 3.391 119.157 115.700 0.110 0.000 2.580 41 S HA 0.034 4.504 4.470 -0.000 0.000 0.274 41 S C 1.268 175.722 174.600 -0.244 0.000 1.329 41 S CA 0.154 58.314 58.200 -0.066 0.000 1.036 41 S CB 0.879 64.073 63.200 -0.009 0.000 0.919 41 S HN 0.582 nan 8.310 nan 0.000 0.515 42 N N 2.779 121.306 118.700 -0.288 0.000 2.258 42 N HA -0.141 4.599 4.740 -0.000 0.000 0.187 42 N C 0.784 176.163 175.510 -0.218 0.000 1.012 42 N CA 1.844 54.691 53.050 -0.338 0.000 0.870 42 N CB -0.103 38.198 38.487 -0.311 0.000 0.977 42 N HN 0.603 nan 8.380 nan 0.000 0.434 43 D N -1.089 119.233 120.400 -0.130 0.000 2.264 43 D HA -0.043 4.597 4.640 -0.000 0.000 0.208 43 D C 0.223 176.511 176.300 -0.020 0.000 0.966 43 D CA 0.661 54.620 54.000 -0.069 0.000 0.864 43 D CB -0.140 40.637 40.800 -0.039 0.000 0.933 43 D HN 0.122 nan 8.370 nan 0.000 0.499 44 S N -1.023 114.692 115.700 0.025 0.000 2.472 44 S HA 0.561 5.031 4.470 -0.000 0.000 0.303 44 S C 0.820 175.574 174.600 0.256 0.000 1.099 44 S CA -0.433 57.846 58.200 0.132 0.000 1.077 44 S CB 1.790 65.109 63.200 0.197 0.000 1.031 44 S HN 0.034 nan 8.310 nan 0.000 0.487 45 A N 3.234 126.173 122.820 0.199 0.000 2.066 45 A HA 0.209 4.529 4.320 -0.000 0.000 0.218 45 A C 1.122 178.884 177.584 0.296 0.000 1.157 45 A CA 1.249 53.429 52.037 0.238 0.000 0.670 45 A CB -0.706 18.363 19.000 0.115 0.000 0.804 45 A HN 0.945 nan 8.150 nan 0.000 0.453 46 T N -2.665 112.000 114.554 0.184 0.000 2.908 46 T HA 0.682 5.032 4.350 -0.000 0.000 0.290 46 T C -0.282 174.252 174.700 -0.278 0.000 1.034 46 T CA -0.731 61.310 62.100 -0.098 0.000 1.010 46 T CB 1.316 70.136 68.868 -0.079 0.000 1.068 46 T HN 0.100 nan 8.240 nan 0.000 0.481 47 I N 2.277 122.485 120.570 -0.604 0.000 2.529 47 I HA 0.245 4.415 4.170 -0.000 0.000 0.284 47 I C 0.514 176.536 176.117 -0.157 0.000 1.082 47 I CA -0.154 60.866 61.300 -0.466 0.000 1.406 47 I CB 0.996 38.768 38.000 -0.380 0.000 1.405 47 I HN 0.656 nan 8.210 nan 0.000 0.548 48 S N 5.908 121.584 115.700 -0.040 0.000 2.489 48 S HA 0.514 4.984 4.470 -0.000 0.000 0.291 48 S C -0.446 174.143 174.600 -0.020 0.000 1.151 48 S CA -0.609 57.532 58.200 -0.097 0.000 1.082 48 S CB 0.751 63.932 63.200 -0.031 0.000 1.019 48 S HN 0.177 nan 8.310 nan 0.000 0.492 49 F N 2.374 122.232 119.950 -0.153 0.000 2.427 49 F HA 0.277 4.804 4.527 -0.000 0.000 0.352 49 F C 1.902 177.497 175.800 -0.342 0.000 1.100 49 F CA -1.199 56.588 58.000 -0.355 0.000 1.191 49 F CB 0.545 39.315 39.000 -0.383 0.000 1.128 49 F HN 0.672 nan 8.300 nan 0.000 0.533 50 T N -1.027 113.369 114.554 -0.264 0.000 3.085 50 T HA 0.292 4.642 4.350 -0.000 0.000 0.264 50 T C 0.306 174.764 174.700 -0.402 0.000 1.019 50 T CA -0.232 61.699 62.100 -0.282 0.000 0.910 50 T CB 0.003 68.708 68.868 -0.273 0.000 1.059 50 T HN 0.226 nan 8.240 nan 0.000 0.542 51 K N 1.109 121.157 120.400 -0.586 0.000 2.477 51 K HA 0.418 4.738 4.320 -0.000 0.000 0.255 51 K C -2.555 173.649 176.600 -0.661 0.000 0.952 51 K CA -2.231 53.580 56.287 -0.795 0.000 0.826 51 K CB 2.008 33.485 32.500 -1.705 0.000 1.331 51 K HN -0.312 nan 8.250 nan 0.000 0.437 52 P HA -0.118 nan 4.420 nan 0.000 0.219 52 P C 0.542 177.688 177.300 -0.256 0.000 1.146 52 P CA 1.278 64.241 63.100 -0.229 0.000 0.808 52 P CB 0.108 31.789 31.700 -0.031 0.000 0.779 53 W N -2.807 118.320 121.300 -0.288 0.000 3.239 53 W HA 0.423 5.083 4.660 -0.000 0.000 0.368 53 W C 0.467 176.698 176.519 -0.480 0.000 1.154 53 W CA -0.219 56.927 57.345 -0.332 0.000 1.860 53 W CB -1.309 28.004 29.460 -0.245 0.000 1.094 53 W HN -0.166 nan 8.180 nan 0.000 0.643 54 S N 1.167 116.357 115.700 -0.851 0.000 2.500 54 S HA -0.232 4.238 4.470 -0.000 0.000 0.239 54 S C 1.701 175.732 174.600 -0.949 0.000 0.989 54 S CA 1.326 58.909 58.200 -1.029 0.000 0.951 54 S CB -0.182 62.232 63.200 -1.310 0.000 0.759 54 S HN 0.403 nan 8.310 nan 0.000 0.523 55 Q N 0.430 119.567 119.800 -1.105 0.000 2.403 55 Q HA 0.210 4.550 4.340 -0.000 0.000 0.203 55 Q C 1.336 177.305 176.000 -0.052 0.000 0.932 55 Q CA 0.392 55.799 55.803 -0.660 0.000 0.945 55 Q CB -0.161 28.204 28.738 -0.622 0.000 1.045 55 Q HN 0.502 nan 8.270 nan 0.000 0.511 56 G N 1.671 110.385 108.800 -0.143 0.000 2.611 56 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.301 56 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.301 56 G C 0.203 175.076 174.900 -0.045 0.000 1.233 56 G CA 0.507 45.527 45.100 -0.132 0.000 0.993 56 G HN 0.418 nan 8.290 nan 0.000 0.553 57 K N 0.219 120.619 120.400 0.000 0.000 2.372 57 K HA 0.367 4.687 4.320 -0.000 0.000 0.200 57 K C 0.790 177.440 176.600 0.084 0.000 1.022 57 K CA -0.307 55.993 56.287 0.022 0.000 1.125 57 K CB 0.243 32.740 32.500 -0.005 0.000 0.855 57 K HN 0.347 nan 8.250 nan 0.000 0.524 58 L N 2.625 123.948 121.223 0.166 0.000 2.453 58 L HA 0.020 4.359 4.340 -0.000 0.000 0.272 58 L C 1.019 177.983 176.870 0.157 0.000 1.182 58 L CA -0.157 54.804 54.840 0.202 0.000 0.858 58 L CB 0.460 42.721 42.059 0.337 0.000 1.120 58 L HN 0.181 nan 8.230 nan 0.000 0.474 59 S N 1.945 117.723 115.700 0.131 0.000 2.589 59 S HA 0.061 4.531 4.470 -0.000 0.000 0.265 59 S C 1.004 175.700 174.600 0.161 0.000 1.342 59 S CA -0.657 57.611 58.200 0.112 0.000 1.005 59 S CB 0.730 63.980 63.200 0.083 0.000 0.909 59 S HN 0.606 nan 8.310 nan 0.000 0.555 60 N N 1.135 119.917 118.700 0.137 0.000 2.104 60 N HA -0.176 4.564 4.740 -0.000 0.000 0.190 60 N C 1.794 177.407 175.510 0.172 0.000 1.024 60 N CA 1.802 54.953 53.050 0.170 0.000 0.853 60 N CB -0.896 37.661 38.487 0.116 0.000 1.008 60 N HN 0.856 nan 8.380 nan 0.000 0.424 61 Q N 0.914 120.779 119.800 0.109 0.000 2.050 61 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 61 Q C 1.734 177.777 176.000 0.072 0.000 0.980 61 Q CA 1.533 57.379 55.803 0.072 0.000 0.840 61 Q CB -0.205 28.558 28.738 0.041 0.000 0.898 61 Q HN 0.248 nan 8.270 nan 0.000 0.424 62 Q N -0.798 119.060 119.800 0.097 0.000 2.167 62 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 62 Q C 1.754 177.819 176.000 0.108 0.000 0.970 62 Q CA 1.227 57.079 55.803 0.081 0.000 0.855 62 Q CB -0.653 28.141 28.738 0.094 0.000 0.911 62 Q HN 0.624 nan 8.270 nan 0.000 0.438 63 W N 1.953 123.274 121.300 0.034 0.000 2.358 63 W HA -0.177 4.483 4.660 -0.000 0.000 0.303 63 W C 1.148 177.677 176.519 0.016 0.000 1.208 63 W CA 1.289 58.659 57.345 0.041 0.000 1.274 63 W CB 0.336 29.878 29.460 0.136 0.000 1.138 63 W HN 0.122 nan 8.180 nan 0.000 0.515 64 E N 0.890 121.096 120.200 0.011 0.000 2.077 64 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 64 E C 1.854 178.359 176.600 -0.160 0.000 0.989 64 E CA 1.552 57.894 56.400 -0.098 0.000 0.800 64 E CB -0.689 29.016 29.700 0.008 0.000 0.746 64 E HN 0.414 nan 8.360 nan 0.000 0.452 65 K N 0.362 120.691 120.400 -0.118 0.000 2.026 65 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 65 K C 2.211 178.718 176.600 -0.155 0.000 1.048 65 K CA 0.820 57.042 56.287 -0.108 0.000 0.929 65 K CB -0.259 32.192 32.500 -0.080 0.000 0.713 65 K HN -0.011 nan 8.250 nan 0.000 0.439 66 L N 1.886 122.955 121.223 -0.256 0.000 2.017 66 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 66 L C 2.565 179.232 176.870 -0.339 0.000 1.073 66 L CA 1.730 56.377 54.840 -0.322 0.000 0.745 66 L CB -0.597 41.212 42.059 -0.416 0.000 0.894 66 L HN 0.218 nan 8.230 nan 0.000 0.432 67 Q N -1.571 117.860 119.800 -0.615 0.000 2.061 67 Q HA -0.305 4.035 4.340 -0.000 0.000 0.204 67 Q C 2.382 178.246 176.000 -0.227 0.000 0.984 67 Q CA 1.924 57.400 55.803 -0.544 0.000 0.846 67 Q CB -0.452 27.866 28.738 -0.700 0.000 0.902 67 Q HN 0.695 nan 8.270 nan 0.000 0.421 68 H N 0.193 119.126 119.070 -0.229 0.000 2.352 68 H HA -0.185 4.371 4.556 -0.000 0.000 0.299 68 H C 2.048 177.324 175.328 -0.087 0.000 1.097 68 H CA 1.848 57.823 56.048 -0.122 0.000 1.311 68 H CB -0.166 29.534 29.762 -0.105 0.000 1.377 68 H HN 0.437 nan 8.280 nan 0.000 0.504 69 M N -0.204 119.329 119.600 -0.112 0.000 2.086 69 M HA -0.197 4.283 4.480 -0.000 0.000 0.261 69 M C 1.796 177.969 176.300 -0.211 0.000 1.067 69 M CA 1.733 56.906 55.300 -0.211 0.000 1.116 69 M CB -0.288 32.109 32.600 -0.339 0.000 1.348 69 M HN 0.130 nan 8.290 nan 0.000 0.407 70 F N 0.856 120.743 119.950 -0.105 0.000 2.186 70 F HA -0.181 4.346 4.527 -0.000 0.000 0.299 70 F C 2.523 178.469 175.800 0.242 0.000 1.090 70 F CA 1.502 59.540 58.000 0.062 0.000 1.307 70 F CB -0.721 38.185 39.000 -0.157 0.000 1.019 70 F HN 0.274 nan 8.300 nan 0.000 0.489 71 Q N -0.238 119.680 119.800 0.196 0.000 2.061 71 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 71 Q C 2.383 178.452 176.000 0.114 0.000 0.984 71 Q CA 1.876 57.816 55.803 0.228 0.000 0.846 71 Q CB -0.539 28.208 28.738 0.016 0.000 0.902 71 Q HN 0.275 nan 8.270 nan 0.000 0.421 72 V N 0.187 120.067 119.914 -0.056 0.000 2.358 72 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 72 V C 1.968 178.114 176.094 0.087 0.000 1.047 72 V CA 1.849 64.121 62.300 -0.048 0.000 1.035 72 V CB -0.740 31.002 31.823 -0.135 0.000 0.658 72 V HN 0.402 nan 8.190 nan 0.000 0.452 73 Y N 1.588 121.909 120.300 0.035 0.000 2.165 73 Y HA -0.272 4.277 4.550 -0.001 0.000 0.286 73 Y C 2.712 178.716 175.900 0.175 0.000 1.155 73 Y CA 2.226 60.385 58.100 0.100 0.000 1.164 73 Y CB -0.378 38.132 38.460 0.083 0.000 0.978 73 Y HN 0.094 nan 8.280 nan 0.000 0.513 74 R N -0.337 120.135 120.500 -0.047 0.000 2.081 74 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 74 R C 2.042 178.265 176.300 -0.128 0.000 1.131 74 R CA 1.775 57.739 56.100 -0.226 0.000 0.960 74 R CB -0.432 29.778 30.300 -0.150 0.000 0.856 74 R HN 0.358 nan 8.270 nan 0.000 0.436 75 V N 0.075 119.964 119.914 -0.042 0.000 2.358 75 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 75 V C 2.196 178.285 176.094 -0.008 0.000 1.047 75 V CA 1.988 64.273 62.300 -0.025 0.000 1.035 75 V CB -0.187 31.631 31.823 -0.010 0.000 0.658 75 V HN 0.352 nan 8.190 nan 0.000 0.452 76 S N -0.198 115.503 115.700 0.003 0.000 2.356 76 S HA -0.182 4.288 4.470 -0.000 0.000 0.223 76 S C 1.793 176.405 174.600 0.019 0.000 1.032 76 S CA 1.799 60.013 58.200 0.024 0.000 1.005 76 S CB -0.486 62.756 63.200 0.070 0.000 0.867 76 S HN 0.597 nan 8.310 nan 0.000 0.449 77 F N 2.620 122.463 119.950 -0.177 0.000 2.095 77 F HA -0.213 4.314 4.527 0.000 0.000 0.298 77 F C 2.421 178.211 175.800 -0.016 0.000 1.104 77 F CA 1.771 59.674 58.000 -0.162 0.000 1.232 77 F CB -0.861 37.869 39.000 -0.449 0.000 0.987 77 F HN 0.115 nan 8.300 nan 0.000 0.475 78 T N 0.632 115.253 114.554 0.113 0.000 2.674 78 T HA -0.233 4.117 4.350 -0.000 0.000 0.265 78 T C 2.053 176.785 174.700 0.053 0.000 1.039 78 T CA 1.654 63.855 62.100 0.168 0.000 1.150 78 T CB -0.420 68.510 68.868 0.103 0.000 0.864 78 T HN 0.268 nan 8.240 nan 0.000 0.427 79 R N 0.911 121.411 120.500 -0.001 0.000 2.083 79 R HA -0.160 4.179 4.340 -0.000 0.000 0.237 79 R C 1.994 178.249 176.300 -0.075 0.000 1.137 79 R CA 2.030 58.118 56.100 -0.020 0.000 0.951 79 R CB -0.336 29.955 30.300 -0.015 0.000 0.851 79 R HN 0.301 nan 8.270 nan 0.000 0.434 80 D N 0.482 120.805 120.400 -0.127 0.000 2.104 80 D HA -0.176 4.464 4.640 -0.000 0.000 0.194 80 D C 1.942 178.082 176.300 -0.267 0.000 0.994 80 D CA 1.156 55.049 54.000 -0.179 0.000 0.830 80 D CB -0.178 40.511 40.800 -0.184 0.000 0.959 80 D HN 0.231 nan 8.370 nan 0.000 0.452 81 I N 1.037 121.349 120.570 -0.430 0.000 2.226 81 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 81 I C 2.366 178.252 176.117 -0.384 0.000 1.100 81 I CA 1.106 62.076 61.300 -0.551 0.000 1.374 81 I CB -1.153 36.236 38.000 -1.018 0.000 1.057 81 I HN 0.107 nan 8.210 nan 0.000 0.413 82 Q N 0.464 120.144 119.800 -0.199 0.000 2.096 82 Q HA -0.229 4.111 4.340 -0.000 0.000 0.204 82 Q C 2.141 178.111 176.000 -0.050 0.000 0.982 82 Q CA 1.684 57.479 55.803 -0.014 0.000 0.850 82 Q CB -0.116 28.683 28.738 0.102 0.000 0.901 82 Q HN 0.568 nan 8.270 nan 0.000 0.422 83 E N 0.236 120.387 120.200 -0.082 0.000 2.106 83 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 83 E C 1.945 178.480 176.600 -0.108 0.000 0.984 83 E CA 0.678 57.032 56.400 -0.075 0.000 0.806 83 E CB -0.075 29.584 29.700 -0.069 0.000 0.750 83 E HN 0.165 nan 8.360 nan 0.000 0.458 84 L N 0.795 121.926 121.223 -0.154 0.000 2.046 84 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 84 L C 2.183 178.923 176.870 -0.217 0.000 1.077 84 L CA 1.385 56.121 54.840 -0.173 0.000 0.747 84 L CB -0.298 41.641 42.059 -0.201 0.000 0.896 84 L HN -0.053 nan 8.230 nan 0.000 0.432 85 V N -0.326 119.434 119.914 -0.257 0.000 2.307 85 V HA -0.278 3.841 4.120 -0.000 0.000 0.245 85 V C 2.517 178.477 176.094 -0.223 0.000 1.045 85 V CA 1.960 64.061 62.300 -0.331 0.000 1.024 85 V CB -0.707 30.822 31.823 -0.491 0.000 0.651 85 V HN 0.454 nan 8.190 nan 0.000 0.449 86 K N -0.246 120.083 120.400 -0.119 0.000 2.103 86 K HA -0.212 4.108 4.320 -0.000 0.000 0.207 86 K C 2.181 178.729 176.600 -0.087 0.000 1.048 86 K CA 1.960 58.207 56.287 -0.067 0.000 0.930 86 K CB -0.310 32.176 32.500 -0.024 0.000 0.716 86 K HN 0.415 nan 8.250 nan 0.000 0.444 87 M N 0.362 119.901 119.600 -0.102 0.000 2.175 87 M HA -0.107 4.373 4.480 -0.000 0.000 0.264 87 M C 1.933 178.164 176.300 -0.116 0.000 1.063 87 M CA 1.538 56.782 55.300 -0.093 0.000 1.119 87 M CB 0.114 32.663 32.600 -0.085 0.000 1.377 87 M HN 0.101 nan 8.290 nan 0.000 0.415 88 M N -0.659 118.839 119.600 -0.171 0.000 2.506 88 M HA 0.031 4.511 4.480 -0.000 0.000 0.260 88 M C 0.915 177.096 176.300 -0.199 0.000 1.104 88 M CA -0.071 55.100 55.300 -0.215 0.000 1.112 88 M CB 0.004 32.395 32.600 -0.349 0.000 1.401 88 M HN 0.184 nan 8.290 nan 0.000 0.473 89 S N 1.823 117.422 115.700 -0.168 0.000 2.573 89 S HA 0.016 4.486 4.470 -0.000 0.000 0.297 89 S C -1.351 173.189 174.600 -0.100 0.000 1.280 89 S CA -0.916 57.206 58.200 -0.131 0.000 1.061 89 S CB 0.429 63.576 63.200 -0.088 0.000 0.812 89 S HN 0.220 nan 8.310 nan 0.000 0.500 90 P HA 0.246 nan 4.420 nan 0.000 0.268 90 P C 0.355 177.584 177.300 -0.119 0.000 1.329 90 P CA -0.007 63.039 63.100 -0.090 0.000 0.899 90 P CB 0.221 31.887 31.700 -0.056 0.000 1.378 91 K N -0.049 120.259 120.400 -0.153 0.000 2.116 91 K HA -0.005 4.315 4.320 -0.000 0.000 0.203 91 K C 0.555 177.006 176.600 -0.248 0.000 1.052 91 K CA 0.853 57.037 56.287 -0.172 0.000 0.952 91 K CB 0.130 32.534 32.500 -0.161 0.000 0.729 91 K HN 0.044 nan 8.250 nan 0.000 0.446 92 E N 1.032 121.020 120.200 -0.354 0.000 2.158 92 E HA 0.207 4.557 4.350 -0.000 0.000 0.271 92 E C -1.359 175.027 176.600 -0.357 0.000 0.911 92 E CA -0.265 55.870 56.400 -0.442 0.000 0.767 92 E CB 1.050 30.260 29.700 -0.817 0.000 1.120 92 E HN 0.010 nan 8.360 nan 0.000 0.405 93 D N 1.628 121.863 120.400 -0.274 0.000 2.615 93 D HA 0.177 4.817 4.640 -0.000 0.000 0.267 93 D C -0.758 175.419 176.300 -0.204 0.000 1.236 93 D CA -0.520 53.302 54.000 -0.296 0.000 0.839 93 D CB 0.808 41.526 40.800 -0.136 0.000 1.380 93 D HN 0.342 nan 8.370 nan 0.000 0.433 94 Y N 0.604 120.920 120.300 0.027 0.000 2.457 94 Y HA 0.250 4.800 4.550 0.001 0.000 0.341 94 Y C -1.206 174.718 175.900 0.041 0.000 1.240 94 Y CA -0.896 57.243 58.100 0.065 0.000 1.437 94 Y CB 0.018 38.528 38.460 0.082 0.000 1.328 94 Y HN 0.028 nan 8.280 nan 0.000 0.588 95 P HA 0.429 nan 4.420 nan 0.000 0.282 95 P C -1.106 176.334 177.300 0.233 0.000 1.249 95 P CA -0.269 62.996 63.100 0.274 0.000 0.806 95 P CB 1.318 33.107 31.700 0.149 0.000 0.984 96 I N 1.159 121.946 120.570 0.361 0.000 2.545 96 I HA 0.347 4.517 4.170 -0.000 0.000 0.292 96 I C -0.098 176.257 176.117 0.396 0.000 1.040 96 I CA -0.703 60.792 61.300 0.324 0.000 1.068 96 I CB 2.327 40.558 38.000 0.385 0.000 1.251 96 I HN 0.289 nan 8.210 nan 0.000 0.424 97 E N 6.658 127.008 120.200 0.250 0.000 2.210 97 E HA 0.664 5.014 4.350 -0.000 0.000 0.266 97 E C -1.576 175.228 176.600 0.340 0.000 0.883 97 E CA -0.324 56.248 56.400 0.287 0.000 0.761 97 E CB 1.444 31.240 29.700 0.160 0.000 1.156 97 E HN 0.423 nan 8.360 nan 0.000 0.412 98 I N 3.641 124.483 120.570 0.453 0.000 2.498 98 I HA 0.355 4.525 4.170 -0.000 0.000 0.290 98 I C -0.502 175.839 176.117 0.374 0.000 1.032 98 I CA -0.761 60.828 61.300 0.481 0.000 1.073 98 I CB 2.038 40.423 38.000 0.642 0.000 1.251 98 I HN 0.447 nan 8.210 nan 0.000 0.426 99 Q N 5.616 125.609 119.800 0.321 0.000 2.356 99 Q HA 0.690 5.030 4.340 -0.000 0.000 0.270 99 Q C -1.411 174.753 176.000 0.272 0.000 1.058 99 Q CA -0.702 55.253 55.803 0.254 0.000 0.802 99 Q CB 3.619 32.486 28.738 0.215 0.000 1.303 99 Q HN 0.495 nan 8.270 nan 0.000 0.444 100 L N 1.007 122.370 121.223 0.233 0.000 2.386 100 L HA 0.682 5.022 4.340 -0.000 0.000 0.271 100 L C -1.221 175.795 176.870 0.242 0.000 0.993 100 L CA -0.373 54.625 54.840 0.264 0.000 0.819 100 L CB 2.071 44.272 42.059 0.236 0.000 1.294 100 L HN 0.594 nan 8.230 nan 0.000 0.414 101 S N 3.804 119.676 115.700 0.287 0.000 2.707 101 S HA 0.888 5.358 4.470 -0.000 0.000 0.312 101 S C -0.929 173.896 174.600 0.376 0.000 1.116 101 S CA -0.164 58.211 58.200 0.292 0.000 1.078 101 S CB 1.226 64.571 63.200 0.240 0.000 0.997 101 S HN 0.833 nan 8.310 nan 0.000 0.477 102 A N 3.340 126.306 122.820 0.243 0.000 2.475 102 A HA 1.024 5.344 4.320 -0.000 0.000 0.301 102 A C 0.310 177.664 177.584 -0.382 0.000 1.059 102 A CA -0.152 51.857 52.037 -0.046 0.000 0.710 102 A CB 1.318 20.329 19.000 0.018 0.000 1.288 102 A HN 1.654 nan 8.150 nan 0.000 0.408 103 G N -0.866 107.296 108.800 -1.062 0.000 2.452 103 G HA2 0.569 4.528 3.960 -0.000 0.000 0.224 103 G HA3 0.569 4.528 3.960 -0.000 0.000 0.224 103 G C -0.604 173.822 174.900 -0.789 0.000 1.208 103 G CA 0.486 45.222 45.100 -0.606 0.000 0.946 103 G HN 2.412 nan 8.290 nan 0.000 0.481 104 c N -1.652 116.868 118.600 -0.133 0.000 3.239 104 c HA 0.871 5.441 4.570 -0.000 0.000 0.317 104 c C -0.844 173.415 174.090 0.281 0.000 1.310 104 c CA -0.995 55.381 56.329 0.078 0.000 1.371 104 c CB 1.243 43.784 42.510 0.052 0.000 1.714 104 c HN 0.950 nan 8.230 nan 0.000 0.473 105 E N 1.712 122.013 120.200 0.169 0.000 2.129 105 E HA 0.573 4.923 4.350 -0.000 0.000 0.268 105 E C -0.530 175.786 176.600 -0.473 0.000 0.900 105 E CA -0.300 56.059 56.400 -0.069 0.000 0.755 105 E CB 0.954 30.618 29.700 -0.060 0.000 1.117 105 E HN 0.611 nan 8.360 nan 0.000 0.410 106 M N 3.630 123.030 119.600 -0.332 0.000 2.180 106 M HA 0.315 4.795 4.480 -0.000 0.000 0.358 106 M C -0.884 175.169 176.300 -0.412 0.000 1.233 106 M CA -0.307 54.813 55.300 -0.300 0.000 1.114 106 M CB -0.060 32.512 32.600 -0.046 0.000 1.594 106 M HN 0.432 nan 8.290 nan 0.000 0.467 107 Y N 2.069 122.425 120.300 0.093 0.000 2.659 107 Y HA 0.692 5.242 4.550 -0.000 0.000 0.333 107 Y C -1.930 174.004 175.900 0.056 0.000 1.064 107 Y CA -2.175 55.967 58.100 0.070 0.000 1.141 107 Y CB 0.009 38.505 38.460 0.059 0.000 1.316 107 Y HN 0.495 nan 8.280 nan 0.000 0.509 108 P HA 0.222 nan 4.420 nan 0.000 0.277 108 P C 0.189 177.552 177.300 0.106 0.000 1.271 108 P CA 0.177 63.352 63.100 0.124 0.000 0.795 108 P CB 0.658 32.413 31.700 0.092 0.000 1.101 109 G N 0.566 109.407 108.800 0.069 0.000 2.273 109 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.280 109 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.280 109 G C 0.409 175.344 174.900 0.058 0.000 1.047 109 G CA 0.491 45.623 45.100 0.053 0.000 0.869 109 G HN 1.004 nan 8.290 nan 0.000 0.502 110 N N -2.115 116.621 118.700 0.059 0.000 2.614 110 N HA 0.147 4.887 4.740 -0.000 0.000 0.276 110 N C -0.031 175.528 175.510 0.082 0.000 1.119 110 N CA 2.089 55.173 53.050 0.056 0.000 0.742 110 N CB -1.063 37.446 38.487 0.035 0.000 0.900 110 N HN 2.017 nan 8.380 nan 0.000 0.549 111 A N 1.150 124.047 122.820 0.128 0.000 2.414 111 A HA 0.835 5.155 4.320 -0.000 0.000 0.306 111 A C -0.192 177.525 177.584 0.222 0.000 1.054 111 A CA 0.195 52.354 52.037 0.204 0.000 0.724 111 A CB 1.708 20.873 19.000 0.274 0.000 1.267 111 A HN 1.432 nan 8.150 nan 0.000 0.418 112 S N 1.248 117.080 115.700 0.220 0.000 2.547 112 S HA 0.763 5.233 4.470 -0.000 0.000 0.270 112 S C -1.390 173.339 174.600 0.215 0.000 1.150 112 S CA -0.719 57.554 58.200 0.122 0.000 0.850 112 S CB 1.641 64.863 63.200 0.036 0.000 1.118 112 S HN 0.696 nan 8.310 nan 0.000 0.461 113 E N 0.893 121.225 120.200 0.221 0.000 2.275 113 E HA 0.610 4.960 4.350 -0.000 0.000 0.270 113 E C -1.117 175.629 176.600 0.244 0.000 0.882 113 E CA -0.782 55.780 56.400 0.270 0.000 0.758 113 E CB 2.402 32.353 29.700 0.420 0.000 1.195 113 E HN 0.616 nan 8.360 nan 0.000 0.419 114 S N 1.610 117.425 115.700 0.191 0.000 2.718 114 S HA 0.793 5.263 4.470 -0.000 0.000 0.300 114 S C -0.847 173.899 174.600 0.244 0.000 1.117 114 S CA -0.721 57.535 58.200 0.093 0.000 1.002 114 S CB 0.612 63.808 63.200 -0.007 0.000 1.092 114 S HN 0.464 nan 8.310 nan 0.000 0.542 115 F N -0.556 119.487 119.950 0.155 0.000 2.654 115 F HA 0.776 5.303 4.527 -0.001 0.000 0.308 115 F C -1.567 174.330 175.800 0.161 0.000 1.108 115 F CA -1.219 56.881 58.000 0.168 0.000 0.957 115 F CB 1.234 40.218 39.000 -0.026 0.000 1.309 115 F HN 0.465 nan 8.300 nan 0.000 0.446 116 L N 3.360 124.867 121.223 0.474 0.000 2.620 116 L HA 0.490 4.830 4.340 -0.000 0.000 0.261 116 L C -1.925 175.368 176.870 0.706 0.000 0.978 116 L CA -0.289 54.810 54.840 0.431 0.000 0.897 116 L CB 0.893 43.108 42.059 0.259 0.000 1.207 116 L HN 0.842 nan 8.230 nan 0.000 0.425 117 H N 2.639 121.967 119.070 0.429 0.000 2.492 117 H HA 0.731 5.288 4.556 0.000 0.000 0.345 117 H C -0.806 174.769 175.328 0.412 0.000 1.136 117 H CA -0.613 55.678 56.048 0.406 0.000 1.202 117 H CB 2.438 32.264 29.762 0.107 0.000 1.524 117 H HN 0.233 nan 8.280 nan 0.000 0.506 118 V N 1.476 121.744 119.914 0.590 0.000 2.588 118 V HA 0.729 4.849 4.120 -0.000 0.000 0.304 118 V C -0.140 176.226 176.094 0.454 0.000 1.042 118 V CA -0.914 61.669 62.300 0.471 0.000 0.877 118 V CB 1.718 33.802 31.823 0.436 0.000 0.996 118 V HN 0.967 nan 8.190 nan 0.000 0.425 119 A N 4.077 127.129 122.820 0.387 0.000 2.355 119 A HA 0.938 5.258 4.320 -0.000 0.000 0.324 119 A C -1.380 176.432 177.584 0.379 0.000 1.117 119 A CA -0.465 51.783 52.037 0.351 0.000 0.785 119 A CB 1.429 20.599 19.000 0.284 0.000 1.254 119 A HN 0.909 nan 8.150 nan 0.000 0.453 120 F N 1.561 121.617 119.950 0.178 0.000 2.518 120 F HA 0.455 4.981 4.527 -0.000 0.000 0.323 120 F C 0.315 176.212 175.800 0.162 0.000 1.129 120 F CA -0.542 57.564 58.000 0.178 0.000 0.920 120 F CB 1.660 40.752 39.000 0.153 0.000 1.160 120 F HN 0.697 nan 8.300 nan 0.000 0.440 121 Q N 4.247 123.796 119.800 -0.417 0.000 2.435 121 Q HA -0.213 4.126 4.340 -0.000 0.000 0.286 121 Q C 1.104 177.049 176.000 -0.092 0.000 1.229 121 Q CA 1.390 56.986 55.803 -0.344 0.000 0.884 121 Q CB -2.092 26.306 28.738 -0.567 0.000 1.245 121 Q HN 1.680 nan 8.270 nan 0.000 0.488 122 G N -0.575 108.237 108.800 0.019 0.000 2.159 122 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.256 122 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.256 122 G C 0.008 174.965 174.900 0.096 0.000 0.977 122 G CA 0.731 45.871 45.100 0.067 0.000 0.652 122 G HN 0.416 nan 8.290 nan 0.000 0.531 123 K N -0.370 120.103 120.400 0.122 0.000 2.397 123 K HA 0.549 4.868 4.320 -0.000 0.000 0.253 123 K C -0.119 176.623 176.600 0.235 0.000 0.932 123 K CA -1.281 55.099 56.287 0.155 0.000 0.795 123 K CB 0.980 33.548 32.500 0.114 0.000 1.159 123 K HN 0.104 nan 8.250 nan 0.000 0.424 124 Y N 4.700 125.051 120.300 0.085 0.000 2.729 124 Y HA 0.012 4.563 4.550 0.001 0.000 0.331 124 Y C 0.486 176.418 175.900 0.053 0.000 1.208 124 Y CA 0.438 58.583 58.100 0.076 0.000 1.521 124 Y CB 0.438 38.918 38.460 0.033 0.000 1.233 124 Y HN 0.389 nan 8.280 nan 0.000 0.539 125 V N 3.771 123.652 119.914 -0.054 0.000 3.480 125 V HA 0.424 4.544 4.120 -0.000 0.000 0.263 125 V C -0.140 175.793 176.094 -0.269 0.000 1.442 125 V CA 0.256 62.439 62.300 -0.195 0.000 1.053 125 V CB 0.163 31.959 31.823 -0.045 0.000 0.846 125 V HN 0.396 nan 8.190 nan 0.000 0.440 126 V N 1.678 121.510 119.914 -0.137 0.000 3.048 126 V HA 0.693 4.812 4.120 -0.000 0.000 0.303 126 V C -0.893 175.355 176.094 0.256 0.000 1.214 126 V CA -0.649 61.677 62.300 0.044 0.000 0.984 126 V CB 2.585 34.514 31.823 0.177 0.000 1.054 126 V HN 0.839 nan 8.190 nan 0.000 0.430 127 R N 2.117 122.795 120.500 0.296 0.000 2.774 127 R HA 0.712 5.052 4.340 -0.000 0.000 0.272 127 R C -1.747 174.800 176.300 0.412 0.000 1.000 127 R CA -0.699 55.661 56.100 0.434 0.000 0.906 127 R CB 2.006 32.502 30.300 0.326 0.000 1.227 127 R HN 0.481 nan 8.270 nan 0.000 0.468 128 F N 2.122 122.166 119.950 0.157 0.000 2.404 128 F HA 0.496 5.023 4.527 -0.000 0.000 0.345 128 F C -0.975 174.923 175.800 0.164 0.000 1.110 128 F CA -0.083 57.798 58.000 -0.199 0.000 1.130 128 F CB 1.193 39.772 39.000 -0.702 0.000 1.129 128 F HN 0.527 nan 8.300 nan 0.000 0.500 129 W N 8.140 129.111 121.300 -0.548 0.000 3.132 129 W HA 0.413 5.073 4.660 -0.000 0.000 0.337 129 W C 0.097 176.390 176.519 -0.377 0.000 1.082 129 W CA -0.093 57.105 57.345 -0.245 0.000 1.242 129 W CB 1.617 31.015 29.460 -0.104 0.000 1.354 129 W HN 0.975 nan 8.180 nan 0.000 0.461 130 G N 2.727 111.114 108.800 -0.688 0.000 2.889 130 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.308 130 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.308 130 G C 0.610 175.320 174.900 -0.317 0.000 1.248 130 G CA 1.707 46.501 45.100 -0.511 0.000 0.982 130 G HN 1.097 nan 8.290 nan 0.000 0.571 131 T N -1.769 112.579 114.554 -0.344 0.000 3.091 131 T HA 0.643 4.993 4.350 -0.000 0.000 0.277 131 T C 0.442 174.913 174.700 -0.381 0.000 0.996 131 T CA 1.288 63.266 62.100 -0.203 0.000 0.897 131 T CB 0.123 68.951 68.868 -0.068 0.000 1.109 131 T HN 2.075 nan 8.240 nan 0.000 0.534 132 S N -0.729 114.457 115.700 -0.857 0.000 2.625 132 S HA 0.701 5.171 4.470 -0.000 0.000 0.271 132 S C -1.616 172.473 174.600 -0.852 0.000 1.161 132 S CA -1.339 56.469 58.200 -0.655 0.000 0.820 132 S CB 0.515 63.617 63.200 -0.164 0.000 1.137 132 S HN 0.376 nan 8.310 nan 0.000 0.470 133 W N 1.692 122.897 121.300 -0.158 0.000 2.251 133 W HA 0.575 5.235 4.660 -0.000 0.000 0.329 133 W C 0.458 176.967 176.519 -0.017 0.000 1.234 133 W CA -0.007 57.350 57.345 0.019 0.000 1.228 133 W CB 0.716 30.266 29.460 0.151 0.000 1.135 133 W HN 0.877 nan 8.180 nan 0.000 0.576 134 Q N 0.041 119.985 119.800 0.240 0.000 2.377 134 Q HA 0.566 4.906 4.340 -0.000 0.000 0.279 134 Q C -0.701 175.328 176.000 0.048 0.000 1.049 134 Q CA -1.141 54.722 55.803 0.100 0.000 0.825 134 Q CB 1.601 30.361 28.738 0.036 0.000 1.401 134 Q HN 0.406 nan 8.270 nan 0.000 0.404 135 T N -1.074 113.462 114.554 -0.031 0.000 2.910 135 T HA 0.533 4.883 4.350 -0.000 0.000 0.293 135 T C 0.674 175.275 174.700 -0.165 0.000 1.015 135 T CA -0.478 61.552 62.100 -0.116 0.000 1.094 135 T CB 1.059 69.838 68.868 -0.149 0.000 0.968 135 T HN 0.743 nan 8.240 nan 0.000 0.521 136 V N -1.001 118.752 119.914 -0.267 0.000 2.997 136 V HA 0.634 4.753 4.120 -0.000 0.000 0.311 136 V C -2.744 173.219 176.094 -0.218 0.000 1.066 136 V CA -2.852 59.264 62.300 -0.306 0.000 1.039 136 V CB 0.074 31.548 31.823 -0.583 0.000 1.081 136 V HN 0.721 nan 8.190 nan 0.000 0.467 137 P HA 0.343 nan 4.420 nan 0.000 0.264 137 P C 0.848 178.083 177.300 -0.109 0.000 1.193 137 P CA 1.635 64.666 63.100 -0.116 0.000 0.763 137 P CB 0.628 32.276 31.700 -0.087 0.000 0.810 138 G N 1.732 110.477 108.800 -0.091 0.000 2.175 138 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.244 138 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.244 138 G C 0.453 175.300 174.900 -0.089 0.000 0.982 138 G CA -0.064 44.993 45.100 -0.072 0.000 0.641 138 G HN 0.846 nan 8.290 nan 0.000 0.527 139 A N 0.515 123.253 122.820 -0.137 0.000 2.366 139 A HA 0.683 5.003 4.320 -0.000 0.000 0.249 139 A C -1.308 176.153 177.584 -0.204 0.000 1.084 139 A CA -0.486 51.446 52.037 -0.176 0.000 0.794 139 A CB 0.029 18.888 19.000 -0.235 0.000 1.034 139 A HN 0.221 nan 8.150 nan 0.000 0.491 140 P HA 0.117 nan 4.420 nan 0.000 0.271 140 P C 0.966 177.998 177.300 -0.447 0.000 1.216 140 P CA 0.327 63.228 63.100 -0.332 0.000 0.776 140 P CB 0.885 32.290 31.700 -0.492 0.000 0.881 141 S N 2.943 118.516 115.700 -0.212 0.000 2.400 141 S HA -0.175 4.295 4.470 -0.000 0.000 0.232 141 S C 1.624 176.150 174.600 -0.125 0.000 1.025 141 S CA 0.814 58.935 58.200 -0.133 0.000 0.993 141 S CB -1.245 61.943 63.200 -0.020 0.000 0.808 141 S HN 0.714 nan 8.310 nan 0.000 0.478 142 W N 1.193 122.455 121.300 -0.063 0.000 2.538 142 W HA 0.133 4.791 4.660 -0.003 0.000 0.254 142 W C 1.195 177.646 176.519 -0.113 0.000 1.249 142 W CA -0.076 57.218 57.345 -0.085 0.000 1.253 142 W CB -0.843 28.559 29.460 -0.096 0.000 1.130 142 W HN 0.301 nan 8.180 nan 0.000 0.618 143 L N 0.930 121.820 121.223 -0.556 0.000 2.395 143 L HA -0.092 4.248 4.340 -0.000 0.000 0.218 143 L C 2.163 178.907 176.870 -0.211 0.000 1.130 143 L CA 0.851 55.401 54.840 -0.483 0.000 0.826 143 L CB -0.563 41.072 42.059 -0.706 0.000 0.941 143 L HN -0.194 nan 8.230 nan 0.000 0.451 144 D N 0.097 120.406 120.400 -0.152 0.000 2.144 144 D HA -0.168 4.472 4.640 -0.000 0.000 0.200 144 D C 2.043 178.318 176.300 -0.042 0.000 0.978 144 D CA 1.076 55.025 54.000 -0.086 0.000 0.833 144 D CB 0.187 40.946 40.800 -0.068 0.000 0.961 144 D HN 0.170 nan 8.370 nan 0.000 0.470 145 L N 1.314 122.524 121.223 -0.022 0.000 2.068 145 L HA 0.005 4.345 4.340 -0.000 0.000 0.204 145 L C -1.054 175.809 176.870 -0.012 0.000 1.076 145 L CA 1.534 56.371 54.840 -0.005 0.000 0.753 145 L CB -1.399 40.665 42.059 0.009 0.000 0.910 145 L HN -0.055 nan 8.230 nan 0.000 0.439 146 P HA -0.178 nan 4.420 nan 0.000 0.218 146 P C 1.983 179.244 177.300 -0.065 0.000 1.148 146 P CA 1.400 64.477 63.100 -0.038 0.000 0.822 146 P CB -0.116 31.565 31.700 -0.032 0.000 0.784 147 I N 0.725 121.256 120.570 -0.065 0.000 2.226 147 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 147 I C 2.569 178.696 176.117 0.016 0.000 1.100 147 I CA 1.439 62.715 61.300 -0.041 0.000 1.374 147 I CB -1.313 36.677 38.000 -0.017 0.000 1.057 147 I HN 0.065 nan 8.210 nan 0.000 0.413 148 K N 1.021 121.429 120.400 0.013 0.000 2.032 148 K HA -0.156 4.164 4.320 -0.000 0.000 0.209 148 K C 2.131 178.751 176.600 0.034 0.000 1.048 148 K CA 1.539 57.845 56.287 0.032 0.000 0.927 148 K CB -0.017 32.493 32.500 0.018 0.000 0.712 148 K HN 0.077 nan 8.250 nan 0.000 0.441 149 V N 1.563 121.484 119.914 0.011 0.000 2.332 149 V HA -0.253 3.866 4.120 -0.000 0.000 0.248 149 V C 2.317 178.422 176.094 0.018 0.000 1.055 149 V CA 1.665 63.971 62.300 0.009 0.000 1.038 149 V CB -0.518 31.299 31.823 -0.009 0.000 0.651 149 V HN 0.390 nan 8.190 nan 0.000 0.450 150 L N 0.875 122.093 121.223 -0.009 0.000 2.079 150 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 150 L C 2.126 179.076 176.870 0.133 0.000 1.081 150 L CA 1.897 56.727 54.840 -0.017 0.000 0.752 150 L CB -1.045 40.885 42.059 -0.215 0.000 0.896 150 L HN 0.321 nan 8.230 nan 0.000 0.433 151 N N 0.012 118.821 118.700 0.182 0.000 2.364 151 N HA -0.076 4.664 4.740 -0.000 0.000 0.183 151 N C 1.668 177.277 175.510 0.165 0.000 1.022 151 N CA 1.177 54.376 53.050 0.248 0.000 0.883 151 N CB -0.236 38.372 38.487 0.201 0.000 0.965 151 N HN 0.519 nan 8.380 nan 0.000 0.438 152 A N 0.088 122.974 122.820 0.111 0.000 2.206 152 A HA -0.064 4.256 4.320 -0.000 0.000 0.211 152 A C 0.731 178.368 177.584 0.089 0.000 1.158 152 A CA 0.237 52.324 52.037 0.083 0.000 0.761 152 A CB -0.076 18.957 19.000 0.055 0.000 0.801 152 A HN 0.042 nan 8.150 nan 0.000 0.473 153 D N 0.120 120.589 120.400 0.114 0.000 2.470 153 D HA 0.133 4.773 4.640 -0.000 0.000 0.226 153 D C 1.000 177.383 176.300 0.139 0.000 1.196 153 D CA 0.014 54.082 54.000 0.114 0.000 0.979 153 D CB 0.231 41.101 40.800 0.116 0.000 1.059 153 D HN 0.445 nan 8.370 nan 0.000 0.515 154 Q N 2.027 121.889 119.800 0.103 0.000 2.119 154 Q HA -0.087 4.253 4.340 -0.000 0.000 0.201 154 Q C 1.832 177.884 176.000 0.087 0.000 0.972 154 Q CA 1.363 57.224 55.803 0.096 0.000 0.847 154 Q CB 0.061 28.839 28.738 0.067 0.000 0.903 154 Q HN 0.642 nan 8.270 nan 0.000 0.433 155 G N -0.510 108.333 108.800 0.071 0.000 2.418 155 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 155 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 155 G C 1.353 176.288 174.900 0.057 0.000 1.158 155 G CA 1.333 46.464 45.100 0.052 0.000 0.771 155 G HN 0.310 nan 8.290 nan 0.000 0.545 156 T N 0.568 115.181 114.554 0.098 0.000 2.737 156 T HA -0.137 4.213 4.350 -0.000 0.000 0.265 156 T C 2.709 177.484 174.700 0.125 0.000 1.038 156 T CA 1.739 63.915 62.100 0.126 0.000 1.144 156 T CB -0.340 68.649 68.868 0.203 0.000 0.866 156 T HN 0.381 nan 8.240 nan 0.000 0.434 157 S N 1.138 116.955 115.700 0.195 0.000 2.368 157 S HA -0.068 4.402 4.470 -0.000 0.000 0.225 157 S C 2.384 177.016 174.600 0.053 0.000 1.030 157 S CA 1.378 59.699 58.200 0.201 0.000 0.999 157 S CB -0.516 62.873 63.200 0.316 0.000 0.844 157 S HN 0.486 nan 8.310 nan 0.000 0.459 158 A N 0.650 123.497 122.820 0.045 0.000 1.902 158 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 158 A C 2.411 179.961 177.584 -0.056 0.000 1.181 158 A CA 2.264 54.303 52.037 0.003 0.000 0.623 158 A CB -1.592 17.414 19.000 0.010 0.000 0.818 158 A HN 0.614 nan 8.150 nan 0.000 0.443 159 T N -0.363 114.149 114.554 -0.070 0.000 2.737 159 T HA -0.103 4.247 4.350 -0.000 0.000 0.265 159 T C 1.892 176.473 174.700 -0.199 0.000 1.038 159 T CA 1.510 63.539 62.100 -0.119 0.000 1.144 159 T CB -0.476 68.326 68.868 -0.109 0.000 0.866 159 T HN 0.144 nan 8.240 nan 0.000 0.434 160 V N 1.688 121.438 119.914 -0.273 0.000 2.332 160 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 160 V C 2.651 178.449 176.094 -0.494 0.000 1.055 160 V CA 1.743 63.750 62.300 -0.489 0.000 1.038 160 V CB -0.735 30.574 31.823 -0.858 0.000 0.651 160 V HN 0.516 nan 8.190 nan 0.000 0.450 161 Q N -0.947 118.626 119.800 -0.378 0.000 2.061 161 Q HA -0.254 4.085 4.340 -0.000 0.000 0.204 161 Q C 2.302 178.229 176.000 -0.121 0.000 0.984 161 Q CA 2.186 57.888 55.803 -0.168 0.000 0.846 161 Q CB -0.268 28.461 28.738 -0.015 0.000 0.902 161 Q HN 0.653 nan 8.270 nan 0.000 0.421 162 M N 0.448 119.979 119.600 -0.115 0.000 2.086 162 M HA -0.193 4.287 4.480 -0.000 0.000 0.261 162 M C 1.874 178.116 176.300 -0.097 0.000 1.067 162 M CA 1.505 56.752 55.300 -0.088 0.000 1.116 162 M CB -0.008 32.542 32.600 -0.083 0.000 1.348 162 M HN 0.230 nan 8.290 nan 0.000 0.407 163 L N 0.174 121.314 121.223 -0.138 0.000 2.017 163 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 163 L C 2.407 179.224 176.870 -0.087 0.000 1.073 163 L CA 0.743 55.510 54.840 -0.122 0.000 0.745 163 L CB -0.761 41.193 42.059 -0.175 0.000 0.894 163 L HN 0.337 nan 8.230 nan 0.000 0.432 164 L N -0.112 121.036 121.223 -0.125 0.000 2.005 164 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 164 L C 2.270 179.111 176.870 -0.049 0.000 1.072 164 L CA 1.721 56.505 54.840 -0.093 0.000 0.744 164 L CB -1.336 40.654 42.059 -0.115 0.000 0.895 164 L HN 0.283 nan 8.230 nan 0.000 0.433 165 N N -0.796 117.875 118.700 -0.048 0.000 2.300 165 N HA -0.085 4.655 4.740 -0.000 0.000 0.179 165 N C 1.149 176.649 175.510 -0.016 0.000 1.016 165 N CA 1.071 54.105 53.050 -0.027 0.000 0.876 165 N CB 0.056 38.525 38.487 -0.031 0.000 0.979 165 N HN 0.397 nan 8.380 nan 0.000 0.432 166 D N -1.259 119.128 120.400 -0.022 0.000 3.099 166 D HA 0.100 4.740 4.640 -0.000 0.000 0.291 166 D C 1.527 177.826 176.300 -0.000 0.000 1.209 166 D CA 0.757 54.750 54.000 -0.011 0.000 1.032 166 D CB -0.412 40.377 40.800 -0.018 0.000 1.324 166 D HN -0.004 nan 8.370 nan 0.000 0.440 167 T N 1.215 115.763 114.554 -0.009 0.000 2.684 167 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 167 T C 2.140 176.874 174.700 0.057 0.000 1.036 167 T CA 1.222 63.330 62.100 0.012 0.000 1.148 167 T CB -0.618 68.237 68.868 -0.022 0.000 0.863 167 T HN 0.205 nan 8.240 nan 0.000 0.436 168 c N 2.686 121.315 118.600 0.048 0.000 2.442 168 c HA -0.007 4.563 4.570 -0.000 0.000 0.279 168 c C -0.149 173.953 174.090 0.021 0.000 1.237 168 c CA 0.838 57.211 56.329 0.075 0.000 1.722 168 c CB -1.233 41.324 42.510 0.078 0.000 2.056 168 c HN 0.413 nan 8.230 nan 0.000 0.469 169 P HA -0.113 nan 4.420 nan 0.000 0.216 169 P C 1.766 179.052 177.300 -0.024 0.000 1.150 169 P CA 1.340 64.430 63.100 -0.016 0.000 0.837 169 P CB -0.396 31.305 31.700 0.002 0.000 0.786 170 L N -0.751 120.479 121.223 0.012 0.000 1.994 170 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 170 L C 2.459 179.357 176.870 0.047 0.000 1.071 170 L CA 1.762 56.617 54.840 0.026 0.000 0.745 170 L CB -1.907 40.181 42.059 0.048 0.000 0.892 170 L HN -0.176 nan 8.230 nan 0.000 0.431 171 F N -0.455 119.442 119.950 -0.089 0.000 2.095 171 F HA -0.203 4.323 4.527 -0.000 0.000 0.298 171 F C 2.252 177.931 175.800 -0.202 0.000 1.104 171 F CA 2.000 59.934 58.000 -0.110 0.000 1.232 171 F CB -0.737 38.203 39.000 -0.100 0.000 0.987 171 F HN -0.046 nan 8.300 nan 0.000 0.475 172 V N 1.112 120.794 119.914 -0.387 0.000 2.407 172 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 172 V C 2.601 178.492 176.094 -0.337 0.000 1.055 172 V CA 1.813 63.798 62.300 -0.525 0.000 1.049 172 V CB -0.707 30.855 31.823 -0.435 0.000 0.662 172 V HN 0.235 nan 8.190 nan 0.000 0.455 173 R N 0.656 121.031 120.500 -0.209 0.000 2.127 173 R HA -0.108 4.232 4.340 -0.000 0.000 0.238 173 R C 2.401 178.590 176.300 -0.185 0.000 1.134 173 R CA 1.488 57.493 56.100 -0.158 0.000 0.975 173 R CB -1.256 28.990 30.300 -0.090 0.000 0.865 173 R HN 0.585 nan 8.270 nan 0.000 0.447 174 G N 0.782 109.459 108.800 -0.205 0.000 2.403 174 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.216 174 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.216 174 G C 1.635 176.375 174.900 -0.267 0.000 1.154 174 G CA 0.090 45.074 45.100 -0.193 0.000 0.784 174 G HN 0.171 nan 8.290 nan 0.000 0.538 175 L N -0.041 120.942 121.223 -0.399 0.000 2.046 175 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 175 L C 2.904 179.555 176.870 -0.365 0.000 1.077 175 L CA 0.586 55.227 54.840 -0.332 0.000 0.747 175 L CB -0.385 41.448 42.059 -0.377 0.000 0.896 175 L HN 0.188 nan 8.230 nan 0.000 0.432 176 L N -0.380 120.623 121.223 -0.367 0.000 2.046 176 L HA -0.241 4.098 4.340 -0.000 0.000 0.208 176 L C 2.614 179.271 176.870 -0.357 0.000 1.077 176 L CA 1.452 56.050 54.840 -0.403 0.000 0.747 176 L CB -0.499 41.368 42.059 -0.321 0.000 0.896 176 L HN 0.362 nan 8.230 nan 0.000 0.432 177 E N 0.467 120.504 120.200 -0.271 0.000 2.047 177 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 177 E C 2.223 178.665 176.600 -0.263 0.000 0.987 177 E CA 1.178 57.445 56.400 -0.221 0.000 0.799 177 E CB -0.019 29.589 29.700 -0.153 0.000 0.752 177 E HN 0.418 nan 8.360 nan 0.000 0.449 178 A N 0.364 123.021 122.820 -0.271 0.000 1.969 178 A HA 0.000 4.320 4.320 -0.000 0.000 0.218 178 A C 2.131 179.430 177.584 -0.476 0.000 1.169 178 A CA 1.386 53.277 52.037 -0.243 0.000 0.635 178 A CB -0.429 18.508 19.000 -0.104 0.000 0.810 178 A HN 0.387 nan 8.150 nan 0.000 0.445 179 G N -1.072 107.180 108.800 -0.913 0.000 3.434 179 G HA2 0.143 4.103 3.960 -0.000 0.000 0.258 179 G HA3 0.143 4.103 3.960 -0.000 0.000 0.258 179 G C 1.093 175.315 174.900 -1.130 0.000 1.128 179 G CA 0.503 44.433 45.100 -1.950 0.000 0.792 179 G HN 0.507 nan 8.290 nan 0.000 0.539 180 K N 1.443 121.465 120.400 -0.630 0.000 2.059 180 K HA -0.214 4.106 4.320 -0.000 0.000 0.212 180 K C 2.736 179.177 176.600 -0.265 0.000 1.050 180 K CA 2.065 58.129 56.287 -0.373 0.000 0.927 180 K CB -0.111 32.242 32.500 -0.245 0.000 0.714 180 K HN 0.395 nan 8.250 nan 0.000 0.447 181 S N 0.279 115.832 115.700 -0.244 0.000 2.382 181 S HA -0.152 4.317 4.470 -0.000 0.000 0.228 181 S C 1.518 176.065 174.600 -0.088 0.000 1.027 181 S CA 1.493 59.618 58.200 -0.125 0.000 0.991 181 S CB -0.261 62.886 63.200 -0.089 0.000 0.823 181 S HN 0.299 nan 8.310 nan 0.000 0.469 182 D N 1.852 122.163 120.400 -0.149 0.000 2.103 182 D HA 0.101 4.741 4.640 -0.000 0.000 0.199 182 D C 1.972 178.277 176.300 0.009 0.000 0.978 182 D CA 0.949 54.933 54.000 -0.027 0.000 0.829 182 D CB -0.464 40.437 40.800 0.168 0.000 0.981 182 D HN 0.384 nan 8.370 nan 0.000 0.464 183 L N 0.659 121.836 121.223 -0.078 0.000 2.131 183 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 183 L C 1.601 178.608 176.870 0.229 0.000 1.092 183 L CA 1.164 56.060 54.840 0.094 0.000 0.759 183 L CB -0.278 41.706 42.059 -0.126 0.000 0.903 183 L HN -0.009 nan 8.230 nan 0.000 0.435 184 E N 0.423 120.688 120.200 0.109 0.000 2.444 184 E HA 0.022 4.372 4.350 -0.000 0.000 0.191 184 E C 0.211 176.909 176.600 0.163 0.000 1.041 184 E CA -0.219 56.263 56.400 0.138 0.000 0.883 184 E CB 0.222 29.956 29.700 0.056 0.000 1.024 184 E HN 0.456 nan 8.360 nan 0.000 0.470 185 K N 1.017 121.536 120.400 0.198 0.000 2.219 185 K HA 0.126 4.446 4.320 -0.000 0.000 0.258 185 K C 0.023 176.809 176.600 0.310 0.000 1.008 185 K CA -0.101 56.296 56.287 0.185 0.000 0.928 185 K CB 0.771 33.331 32.500 0.099 0.000 0.983 185 K HN -0.241 nan 8.250 nan 0.000 0.484 186 Q N 1.785 121.735 119.800 0.251 0.000 2.292 186 Q HA 0.253 4.593 4.340 -0.000 0.000 0.270 186 Q C -1.174 174.994 176.000 0.281 0.000 1.024 186 Q CA -0.607 55.377 55.803 0.303 0.000 0.768 186 Q CB 2.219 31.083 28.738 0.210 0.000 1.250 186 Q HN 0.641 nan 8.270 nan 0.000 0.447 187 E N 1.802 122.216 120.200 0.357 0.000 2.222 187 E HA 0.373 4.722 4.350 -0.000 0.000 0.267 187 E C -0.691 176.070 176.600 0.268 0.000 0.884 187 E CA -0.671 55.886 56.400 0.262 0.000 0.764 187 E CB 2.235 32.071 29.700 0.228 0.000 1.169 187 E HN 0.270 nan 8.360 nan 0.000 0.413 188 K N 3.349 123.871 120.400 0.203 0.000 2.276 188 K HA 0.278 4.597 4.320 -0.000 0.000 0.283 188 K C -2.087 174.608 176.600 0.157 0.000 1.044 188 K CA -1.499 54.896 56.287 0.180 0.000 0.944 188 K CB 0.535 33.125 32.500 0.150 0.000 1.012 188 K HN 0.242 nan 8.250 nan 0.000 0.472 189 P HA 0.101 nan 4.420 nan 0.000 0.274 189 P C -0.645 176.750 177.300 0.158 0.000 1.246 189 P CA -0.401 62.807 63.100 0.181 0.000 0.795 189 P CB 0.866 32.619 31.700 0.088 0.000 1.006 190 V N 0.800 120.839 119.914 0.208 0.000 2.604 190 V HA 0.666 4.786 4.120 -0.000 0.000 0.305 190 V C 0.179 176.440 176.094 0.278 0.000 1.043 190 V CA -0.641 61.791 62.300 0.220 0.000 0.888 190 V CB 1.614 33.573 31.823 0.226 0.000 0.995 190 V HN 0.851 nan 8.190 nan 0.000 0.429 191 A N 4.119 127.078 122.820 0.231 0.000 2.384 191 A HA 1.048 5.367 4.320 -0.000 0.000 0.312 191 A C -1.408 176.404 177.584 0.378 0.000 1.113 191 A CA -0.616 51.522 52.037 0.169 0.000 0.779 191 A CB 1.572 20.550 19.000 -0.038 0.000 1.307 191 A HN 1.316 nan 8.150 nan 0.000 0.436 192 W N 0.108 121.448 121.300 0.066 0.000 3.137 192 W HA 0.683 5.342 4.660 -0.000 0.000 0.324 192 W C -2.273 174.377 176.519 0.219 0.000 1.253 192 W CA -0.930 56.475 57.345 0.100 0.000 1.183 192 W CB 0.726 30.228 29.460 0.069 0.000 1.424 192 W HN 0.554 nan 8.180 nan 0.000 0.566 193 L N 3.594 125.048 121.223 0.385 0.000 2.331 193 L HA 0.846 5.186 4.340 -0.000 0.000 0.275 193 L C 0.368 177.571 176.870 0.556 0.000 1.022 193 L CA -0.868 54.243 54.840 0.452 0.000 0.812 193 L CB 1.744 44.119 42.059 0.526 0.000 1.257 193 L HN 0.753 nan 8.230 nan 0.000 0.435 194 S N 0.411 116.485 115.700 0.622 0.000 2.656 194 S HA 0.858 5.328 4.470 -0.000 0.000 0.273 194 S C -0.932 173.964 174.600 0.493 0.000 1.168 194 S CA -0.511 58.025 58.200 0.560 0.000 0.817 194 S CB 2.042 65.548 63.200 0.510 0.000 1.146 194 S HN 0.742 nan 8.310 nan 0.000 0.475 195 S N -0.688 115.241 115.700 0.382 0.000 2.565 195 S HA 0.753 5.223 4.470 -0.000 0.000 0.269 195 S C -1.146 173.541 174.600 0.146 0.000 1.153 195 S CA -0.409 57.901 58.200 0.183 0.000 0.835 195 S CB 0.974 64.241 63.200 0.111 0.000 1.122 195 S HN 2.056 nan 8.310 nan 0.000 0.462 196 V N -0.431 119.521 119.914 0.063 0.000 2.443 196 V HA 0.832 4.952 4.120 -0.000 0.000 0.293 196 V C -2.819 173.290 176.094 0.026 0.000 1.021 196 V CA -1.682 60.653 62.300 0.058 0.000 0.848 196 V CB 0.662 32.517 31.823 0.054 0.000 0.998 196 V HN 0.869 nan 8.190 nan 0.000 0.424 203 H N 0.134 119.174 119.070 -0.049 0.000 2.616 203 H HA 0.832 5.388 4.556 -0.000 0.000 0.353 203 H C 0.106 175.382 175.328 -0.087 0.000 1.170 203 H CA -0.256 55.747 56.048 -0.076 0.000 1.212 203 H CB 1.511 31.228 29.762 -0.075 0.000 1.653 203 H HN 0.064 nan 8.280 nan 0.000 0.537 204 R N 1.007 121.490 120.500 -0.028 0.000 2.673 204 R HA 0.238 4.578 4.340 -0.000 0.000 0.281 204 R C -1.196 175.002 176.300 -0.169 0.000 0.991 204 R CA -0.874 55.164 56.100 -0.102 0.000 0.896 204 R CB 2.342 32.540 30.300 -0.169 0.000 1.201 204 R HN 0.591 nan 8.270 nan 0.000 0.457 205 Q N 3.660 123.365 119.800 -0.158 0.000 2.347 205 Q HA 0.268 4.608 4.340 -0.000 0.000 0.262 205 Q C -1.181 174.649 176.000 -0.283 0.000 0.980 205 Q CA -0.800 54.880 55.803 -0.205 0.000 0.867 205 Q CB 0.977 29.649 28.738 -0.110 0.000 1.242 205 Q HN 0.268 nan 8.270 nan 0.000 0.453 206 L N 3.972 124.893 121.223 -0.503 0.000 2.326 206 L HA 0.425 4.765 4.340 -0.000 0.000 0.278 206 L C -0.524 176.194 176.870 -0.253 0.000 1.092 206 L CA -0.253 54.238 54.840 -0.581 0.000 0.810 206 L CB 1.663 42.965 42.059 -1.262 0.000 1.153 206 L HN 0.407 nan 8.230 nan 0.000 0.439 207 V N 1.686 121.643 119.914 0.071 0.000 2.531 207 V HA 0.368 4.488 4.120 -0.000 0.000 0.301 207 V C -0.556 175.609 176.094 0.119 0.000 1.034 207 V CA -0.744 61.584 62.300 0.047 0.000 0.865 207 V CB 1.916 33.643 31.823 -0.160 0.000 0.995 207 V HN 0.875 nan 8.190 nan 0.000 0.424 208 c N 6.223 124.810 118.600 -0.021 0.000 2.264 208 c HA 0.559 5.129 4.570 -0.000 0.000 0.324 208 c C 0.046 173.790 174.090 -0.576 0.000 1.267 208 c CA -0.364 55.785 56.329 -0.299 0.000 1.618 208 c CB -0.810 41.339 42.510 -0.602 0.000 2.278 208 c HN 0.932 nan 8.230 nan 0.000 0.499 209 H N 4.358 123.011 119.070 -0.695 0.000 2.489 209 H HA 0.527 5.083 4.556 -0.000 0.000 0.322 209 H C -0.598 174.137 175.328 -0.987 0.000 1.091 209 H CA -0.305 55.094 56.048 -1.083 0.000 1.291 209 H CB 1.636 30.221 29.762 -1.962 0.000 1.436 209 H HN 0.484 nan 8.280 nan 0.000 0.480 210 V N 2.538 122.037 119.914 -0.692 0.000 2.483 210 V HA 0.260 4.380 4.120 -0.000 0.000 0.297 210 V C -0.076 175.973 176.094 -0.075 0.000 1.027 210 V CA -0.543 61.575 62.300 -0.303 0.000 0.855 210 V CB 1.764 33.424 31.823 -0.270 0.000 0.995 210 V HN 0.749 nan 8.190 nan 0.000 0.424 211 S N 2.668 118.488 115.700 0.200 0.000 2.540 211 S HA 0.741 5.211 4.470 -0.000 0.000 0.275 211 S C 0.504 175.301 174.600 0.327 0.000 1.123 211 S CA 0.577 58.978 58.200 0.334 0.000 0.907 211 S CB 1.686 65.226 63.200 0.566 0.000 1.081 211 S HN 2.003 nan 8.310 nan 0.000 0.476 212 G N 2.433 111.353 108.800 0.199 0.000 2.159 212 G HA2 -0.165 3.794 3.960 -0.000 0.000 0.227 212 G HA3 -0.165 3.794 3.960 -0.000 0.000 0.227 212 G C -0.154 174.837 174.900 0.152 0.000 0.986 212 G CA 0.189 45.379 45.100 0.149 0.000 0.651 212 G HN 1.255 nan 8.290 nan 0.000 0.523 213 F N -0.356 119.666 119.950 0.120 0.000 2.375 213 F HA 0.854 5.381 4.527 -0.000 0.000 0.333 213 F C -0.173 175.801 175.800 0.291 0.000 1.104 213 F CA -2.305 55.687 58.000 -0.013 0.000 1.149 213 F CB 0.849 39.568 39.000 -0.469 0.000 1.190 213 F HN 0.146 nan 8.300 nan 0.000 0.533 214 Y N 3.266 123.787 120.300 0.369 0.000 2.519 214 Y HA 0.463 5.012 4.550 -0.000 0.000 0.336 214 Y C -2.788 173.456 175.900 0.573 0.000 1.089 214 Y CA -2.481 55.898 58.100 0.464 0.000 1.025 214 Y CB 2.385 41.009 38.460 0.274 0.000 1.318 214 Y HN 0.518 nan 8.280 nan 0.000 0.452 215 P HA 0.098 nan 4.420 nan 0.000 0.286 215 P C -0.031 177.304 177.300 0.059 0.000 1.293 215 P CA -0.036 62.728 63.100 -0.560 0.000 0.770 215 P CB 1.218 32.718 31.700 -0.334 0.000 1.206 216 K N -0.279 120.034 120.400 -0.146 0.000 2.057 216 K HA -0.028 4.292 4.320 -0.000 0.000 0.207 216 K C -1.222 175.410 176.600 0.054 0.000 1.049 216 K CA 0.912 57.091 56.287 -0.180 0.000 0.931 216 K CB -1.673 30.405 32.500 -0.704 0.000 0.714 216 K HN 0.448 nan 8.250 nan 0.000 0.440 217 P HA -0.066 nan 4.420 nan 0.000 0.262 217 P C -1.087 176.307 177.300 0.155 0.000 1.182 217 P CA 0.382 63.490 63.100 0.013 0.000 0.761 217 P CB 1.170 32.835 31.700 -0.059 0.000 0.795 218 V N 4.577 124.583 119.914 0.153 0.000 3.204 218 V HA 0.705 4.825 4.120 -0.000 0.000 0.298 218 V C -2.169 173.995 176.094 0.116 0.000 1.328 218 V CA -0.702 61.641 62.300 0.071 0.000 1.035 218 V CB 2.173 33.781 31.823 -0.358 0.000 1.095 218 V HN 0.603 nan 8.190 nan 0.000 0.442 219 W N 4.469 125.687 121.300 -0.136 0.000 2.781 219 W HA 0.799 5.459 4.660 -0.000 0.000 0.333 219 W C -1.881 174.527 176.519 -0.186 0.000 1.047 219 W CA -0.431 56.838 57.345 -0.127 0.000 1.236 219 W CB 1.959 31.364 29.460 -0.092 0.000 1.394 219 W HN 0.480 nan 8.180 nan 0.000 0.466 220 V N 7.899 127.393 119.914 -0.700 0.000 2.525 220 V HA 0.587 4.707 4.120 -0.000 0.000 0.299 220 V C -0.791 174.690 176.094 -1.022 0.000 1.034 220 V CA -0.703 61.155 62.300 -0.736 0.000 0.863 220 V CB 1.405 32.902 31.823 -0.543 0.000 0.999 220 V HN 0.578 nan 8.190 nan 0.000 0.423 221 M N 4.839 123.784 119.600 -1.092 0.000 2.371 221 M HA 0.584 5.064 4.480 -0.000 0.000 0.287 221 M C -1.945 174.021 176.300 -0.556 0.000 1.149 221 M CA -0.553 54.220 55.300 -0.879 0.000 0.929 221 M CB 2.152 33.990 32.600 -1.271 0.000 1.683 221 M HN 0.560 nan 8.290 nan 0.000 0.470 222 W N 5.745 126.843 121.300 -0.335 0.000 2.272 222 W HA 0.591 5.251 4.660 -0.000 0.000 0.318 222 W C -0.452 175.968 176.519 -0.165 0.000 1.255 222 W CA -0.225 56.980 57.345 -0.232 0.000 1.200 222 W CB 0.842 30.168 29.460 -0.222 0.000 1.170 222 W HN 0.341 nan 8.180 nan 0.000 0.549 223 M N 3.113 122.776 119.600 0.105 0.000 2.572 223 M HA 0.390 4.870 4.480 -0.000 0.000 0.299 223 M C -0.791 175.561 176.300 0.087 0.000 1.205 223 M CA -1.185 54.156 55.300 0.068 0.000 0.876 223 M CB 2.400 35.015 32.600 0.024 0.000 1.728 223 M HN 0.445 nan 8.290 nan 0.000 0.458 224 R N 0.520 121.067 120.500 0.078 0.000 2.358 224 R HA 0.551 4.891 4.340 -0.000 0.000 0.309 224 R C 0.569 176.920 176.300 0.086 0.000 1.026 224 R CA 0.706 56.858 56.100 0.086 0.000 0.909 224 R CB 0.583 30.922 30.300 0.065 0.000 1.153 224 R HN 0.974 nan 8.270 nan 0.000 0.515 225 G N 3.422 112.289 108.800 0.111 0.000 2.596 225 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.304 225 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.304 225 G C 0.138 175.089 174.900 0.085 0.000 1.189 225 G CA 0.494 45.659 45.100 0.109 0.000 0.986 225 G HN 0.671 nan 8.290 nan 0.000 0.548 226 D N 1.534 121.976 120.400 0.069 0.000 2.340 226 D HA 0.114 4.754 4.640 -0.000 0.000 0.217 226 D C 1.160 177.499 176.300 0.064 0.000 1.081 226 D CA 0.410 54.446 54.000 0.061 0.000 0.842 226 D CB 0.376 41.201 40.800 0.043 0.000 0.934 226 D HN 0.509 nan 8.370 nan 0.000 0.511 227 Q N 1.748 121.587 119.800 0.064 0.000 2.314 227 Q HA 0.096 4.436 4.340 -0.000 0.000 0.257 227 Q C -0.415 175.630 176.000 0.074 0.000 0.975 227 Q CA -0.254 55.586 55.803 0.061 0.000 0.933 227 Q CB 0.761 29.527 28.738 0.046 0.000 1.195 227 Q HN 0.082 nan 8.270 nan 0.000 0.426 228 E N 2.869 123.124 120.200 0.093 0.000 2.384 228 E HA -0.018 4.332 4.350 -0.000 0.000 0.266 228 E C -0.590 176.041 176.600 0.051 0.000 1.012 228 E CA 0.005 56.465 56.400 0.101 0.000 0.901 228 E CB 0.679 30.467 29.700 0.146 0.000 0.967 228 E HN 0.443 nan 8.360 nan 0.000 0.435 229 Q N 2.759 122.578 119.800 0.033 0.000 2.361 229 Q HA 0.027 4.367 4.340 -0.000 0.000 0.250 229 Q C 0.444 176.423 176.000 -0.035 0.000 1.023 229 Q CA 0.202 56.001 55.803 -0.005 0.000 0.915 229 Q CB 1.049 29.779 28.738 -0.013 0.000 1.238 229 Q HN 0.575 nan 8.270 nan 0.000 0.451 230 Q N 1.152 120.934 119.800 -0.030 0.000 2.291 230 Q HA -0.088 4.252 4.340 -0.000 0.000 0.206 230 Q C 1.426 177.378 176.000 -0.080 0.000 0.976 230 Q CA 1.147 56.931 55.803 -0.031 0.000 0.875 230 Q CB 0.130 28.864 28.738 -0.006 0.000 0.927 230 Q HN 0.776 nan 8.270 nan 0.000 0.450 231 G N 0.570 109.285 108.800 -0.141 0.000 2.776 231 G HA2 -0.081 3.878 3.960 -0.000 0.000 0.209 231 G HA3 -0.081 3.878 3.960 -0.000 0.000 0.209 231 G C 0.292 174.848 174.900 -0.575 0.000 1.145 231 G CA -0.047 44.877 45.100 -0.293 0.000 0.791 231 G HN 0.134 nan 8.290 nan 0.000 0.530 232 T N 2.166 116.524 114.554 -0.326 0.000 2.902 232 T HA 0.150 4.500 4.350 -0.000 0.000 0.301 232 T C -0.463 174.079 174.700 -0.264 0.000 1.012 232 T CA 0.348 62.289 62.100 -0.265 0.000 1.151 232 T CB 0.376 69.186 68.868 -0.096 0.000 0.946 232 T HN 0.225 nan 8.240 nan 0.000 0.542 233 H N 2.784 121.813 119.070 -0.068 0.000 2.587 233 H HA 0.326 4.882 4.556 -0.000 0.000 0.325 233 H C 0.301 175.573 175.328 -0.095 0.000 1.012 233 H CA -0.705 55.298 56.048 -0.075 0.000 1.213 233 H CB 0.788 30.508 29.762 -0.071 0.000 1.431 233 H HN 0.480 nan 8.280 nan 0.000 0.492 234 R N 1.999 122.503 120.500 0.008 0.000 2.389 234 R HA 0.350 4.690 4.340 -0.000 0.000 0.295 234 R C 0.410 176.664 176.300 -0.077 0.000 1.075 234 R CA -0.349 55.694 56.100 -0.095 0.000 1.005 234 R CB 0.527 30.750 30.300 -0.127 0.000 0.987 234 R HN 0.775 nan 8.270 nan 0.000 0.452 235 G N 2.241 110.973 108.800 -0.112 0.000 2.535 235 G HA2 0.060 4.020 3.960 -0.000 0.000 0.282 235 G HA3 0.060 4.020 3.960 -0.000 0.000 0.282 235 G C -0.682 174.168 174.900 -0.084 0.000 1.350 235 G CA -0.603 44.457 45.100 -0.066 0.000 1.039 235 G HN 0.645 nan 8.290 nan 0.000 0.509 236 D N -0.615 119.783 120.400 -0.003 0.000 2.339 236 D HA 0.234 4.874 4.640 -0.000 0.000 0.245 236 D C -0.254 176.079 176.300 0.056 0.000 1.115 236 D CA 0.231 54.271 54.000 0.067 0.000 0.917 236 D CB 0.881 41.749 40.800 0.114 0.000 1.192 236 D HN 0.070 nan 8.370 nan 0.000 0.428 237 F N 0.775 120.761 119.950 0.061 0.000 2.504 237 F HA 0.182 4.709 4.527 -0.000 0.000 0.369 237 F C 0.578 176.566 175.800 0.313 0.000 1.082 237 F CA -0.183 57.883 58.000 0.111 0.000 1.216 237 F CB 0.340 39.182 39.000 -0.263 0.000 1.108 237 F HN -0.091 nan 8.300 nan 0.000 0.554 238 L N 6.122 127.708 121.223 0.605 0.000 2.346 238 L HA 0.497 4.837 4.340 -0.000 0.000 0.276 238 L C -2.381 174.785 176.870 0.494 0.000 1.006 238 L CA -2.318 52.809 54.840 0.478 0.000 0.817 238 L CB 2.040 44.263 42.059 0.273 0.000 1.272 238 L HN 0.328 nan 8.230 nan 0.000 0.421 239 P HA 0.171 nan 4.420 nan 0.000 0.279 239 P C -1.183 176.064 177.300 -0.088 0.000 1.239 239 P CA -0.470 62.526 63.100 -0.174 0.000 0.789 239 P CB 1.037 32.603 31.700 -0.223 0.000 0.933 240 N N 1.015 119.629 118.700 -0.145 0.000 2.434 240 N HA 0.262 5.002 4.740 -0.000 0.000 0.266 240 N C 1.211 176.664 175.510 -0.095 0.000 1.223 240 N CA -0.465 52.544 53.050 -0.068 0.000 0.972 240 N CB 0.776 39.251 38.487 -0.020 0.000 1.207 240 N HN 0.369 nan 8.380 nan 0.000 0.525 241 A N -0.072 122.717 122.820 -0.052 0.000 2.208 241 A HA -0.074 4.246 4.320 -0.000 0.000 0.209 241 A C 0.519 178.069 177.584 -0.056 0.000 1.161 241 A CA 0.734 52.743 52.037 -0.046 0.000 0.782 241 A CB -0.233 18.751 19.000 -0.027 0.000 0.816 241 A HN 0.674 nan 8.150 nan 0.000 0.477 242 D N -0.625 119.737 120.400 -0.063 0.000 2.615 242 D HA 0.124 4.764 4.640 -0.000 0.000 0.236 242 D C -0.210 176.030 176.300 -0.099 0.000 1.233 242 D CA -0.184 53.777 54.000 -0.064 0.000 0.829 242 D CB -0.933 39.845 40.800 -0.036 0.000 1.024 242 D HN 0.436 nan 8.370 nan 0.000 0.490 243 E N -0.398 119.718 120.200 -0.139 0.000 2.320 243 E HA -0.186 4.164 4.350 -0.000 0.000 0.234 243 E C -0.380 176.096 176.600 -0.207 0.000 1.183 243 E CA 0.966 57.250 56.400 -0.195 0.000 0.713 243 E CB -2.063 27.527 29.700 -0.182 0.000 1.226 243 E HN 0.721 nan 8.360 nan 0.000 0.382 244 T N -3.777 110.648 114.554 -0.214 0.000 2.804 244 T HA 0.698 5.048 4.350 -0.000 0.000 0.290 244 T C -0.683 173.789 174.700 -0.380 0.000 1.099 244 T CA -0.953 61.062 62.100 -0.142 0.000 1.011 244 T CB 1.492 70.347 68.868 -0.022 0.000 1.291 244 T HN 0.239 nan 8.240 nan 0.000 0.523 245 W N -0.404 120.714 121.300 -0.303 0.000 2.719 245 W HA 0.708 5.367 4.660 -0.000 0.000 0.352 245 W C -1.153 175.069 176.519 -0.495 0.000 1.085 245 W CA -1.028 56.049 57.345 -0.447 0.000 1.187 245 W CB 1.668 30.691 29.460 -0.729 0.000 1.417 245 W HN 0.830 nan 8.180 nan 0.000 0.557 246 Y N 2.758 123.121 120.300 0.105 0.000 2.462 246 Y HA 0.726 5.276 4.550 -0.000 0.000 0.346 246 Y C -1.593 174.441 175.900 0.224 0.000 0.976 246 Y CA -1.334 56.876 58.100 0.184 0.000 1.044 246 Y CB 1.343 39.908 38.460 0.174 0.000 1.230 246 Y HN 0.373 nan 8.280 nan 0.000 0.455 247 L N 6.097 127.225 121.223 -0.158 0.000 2.505 247 L HA 0.444 4.783 4.340 -0.000 0.000 0.259 247 L C -1.919 174.649 176.870 -0.502 0.000 0.952 247 L CA -0.306 54.383 54.840 -0.252 0.000 0.840 247 L CB 2.324 44.170 42.059 -0.355 0.000 1.358 247 L HN 0.763 nan 8.230 nan 0.000 0.409 248 Q N 3.832 123.412 119.800 -0.367 0.000 2.377 248 Q HA 0.944 5.284 4.340 -0.000 0.000 0.271 248 Q C -1.505 174.318 176.000 -0.294 0.000 1.077 248 Q CA -0.928 54.631 55.803 -0.407 0.000 0.820 248 Q CB 2.496 30.996 28.738 -0.396 0.000 1.347 248 Q HN 0.873 nan 8.270 nan 0.000 0.444 249 A N 1.626 124.281 122.820 -0.276 0.000 2.343 249 A HA 0.716 5.036 4.320 -0.000 0.000 0.316 249 A C -0.392 177.231 177.584 0.065 0.000 1.104 249 A CA -0.507 51.448 52.037 -0.136 0.000 0.768 249 A CB 1.603 20.478 19.000 -0.209 0.000 1.213 249 A HN 0.821 nan 8.150 nan 0.000 0.456 250 T N -0.458 114.116 114.554 0.033 0.000 2.940 250 T HA 0.741 5.091 4.350 -0.000 0.000 0.288 250 T C -0.828 173.733 174.700 -0.232 0.000 1.033 250 T CA -0.691 61.385 62.100 -0.041 0.000 1.033 250 T CB 1.397 70.227 68.868 -0.064 0.000 1.079 250 T HN 1.073 nan 8.240 nan 0.000 0.496 251 L N 1.556 122.474 121.223 -0.510 0.000 2.470 251 L HA 0.573 4.913 4.340 -0.000 0.000 0.268 251 L C -1.364 175.211 176.870 -0.493 0.000 0.964 251 L CA -0.426 54.046 54.840 -0.613 0.000 0.839 251 L CB 2.097 43.558 42.059 -0.996 0.000 1.276 251 L HN 0.910 nan 8.230 nan 0.000 0.403 252 D N 3.152 123.355 120.400 -0.328 0.000 2.317 252 D HA 0.500 5.140 4.640 -0.000 0.000 0.252 252 D C -0.673 175.504 176.300 -0.206 0.000 1.174 252 D CA 0.114 53.989 54.000 -0.208 0.000 0.866 252 D CB 1.063 41.802 40.800 -0.102 0.000 1.127 252 D HN 0.468 nan 8.370 nan 0.000 0.467 253 V N 0.509 120.297 119.914 -0.210 0.000 2.962 253 V HA 0.598 4.718 4.120 -0.000 0.000 0.313 253 V C -0.222 175.737 176.094 -0.225 0.000 1.099 253 V CA -0.951 61.213 62.300 -0.226 0.000 0.971 253 V CB 1.856 33.471 31.823 -0.347 0.000 1.028 253 V HN 0.498 nan 8.190 nan 0.000 0.430 254 E N 1.759 121.782 120.200 -0.296 0.000 2.349 254 E HA 0.587 4.937 4.350 -0.000 0.000 0.262 254 E C 0.335 176.759 176.600 -0.293 0.000 1.088 254 E CA -0.302 55.812 56.400 -0.477 0.000 0.899 254 E CB 1.610 31.051 29.700 -0.432 0.000 1.044 254 E HN 1.164 nan 8.360 nan 0.000 0.420 255 A N 0.987 123.649 122.820 -0.263 0.000 2.566 255 A HA 0.293 4.613 4.320 -0.000 0.000 0.245 255 A C 1.173 178.695 177.584 -0.104 0.000 1.056 255 A CA 0.939 52.889 52.037 -0.145 0.000 0.757 255 A CB -0.728 18.208 19.000 -0.107 0.000 0.979 255 A HN 0.828 nan 8.150 nan 0.000 0.508 256 G N 1.781 110.544 108.800 -0.062 0.000 2.159 256 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.256 256 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.256 256 G C 0.415 175.293 174.900 -0.037 0.000 0.977 256 G CA 0.680 45.764 45.100 -0.027 0.000 0.652 256 G HN 0.819 nan 8.290 nan 0.000 0.531 257 E N -0.385 119.764 120.200 -0.084 0.000 2.474 257 E HA 0.150 4.500 4.350 -0.000 0.000 0.195 257 E C 1.837 178.377 176.600 -0.100 0.000 1.039 257 E CA 0.320 56.666 56.400 -0.090 0.000 0.881 257 E CB 0.145 29.765 29.700 -0.134 0.000 0.970 257 E HN 0.610 nan 8.360 nan 0.000 0.486 258 E N 1.284 121.421 120.200 -0.105 0.000 2.106 258 E HA -0.045 4.305 4.350 -0.000 0.000 0.192 258 E C 0.660 177.337 176.600 0.128 0.000 0.984 258 E CA 0.558 56.867 56.400 -0.151 0.000 0.806 258 E CB 0.003 29.563 29.700 -0.232 0.000 0.750 258 E HN 0.115 nan 8.360 nan 0.000 0.458 259 A N 0.357 123.277 122.820 0.167 0.000 2.545 259 A HA 0.406 4.726 4.320 -0.000 0.000 0.253 259 A C 1.321 179.007 177.584 0.169 0.000 1.074 259 A CA 0.788 52.944 52.037 0.198 0.000 0.760 259 A CB -0.621 18.458 19.000 0.132 0.000 1.005 259 A HN 0.398 nan 8.150 nan 0.000 0.506 260 G N 1.568 110.510 108.800 0.237 0.000 2.213 260 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.226 260 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.226 260 G C 0.154 175.214 174.900 0.266 0.000 0.992 260 G CA 0.070 45.311 45.100 0.236 0.000 0.632 260 G HN 0.748 nan 8.290 nan 0.000 0.511 261 L N 1.234 122.612 121.223 0.259 0.000 2.395 261 L HA 0.664 5.004 4.340 -0.000 0.000 0.269 261 L C 0.689 177.741 176.870 0.304 0.000 1.133 261 L CA 0.132 55.129 54.840 0.262 0.000 0.812 261 L CB 1.457 43.633 42.059 0.194 0.000 1.125 261 L HN 0.485 nan 8.230 nan 0.000 0.452 262 A N 2.148 125.047 122.820 0.132 0.000 2.539 262 A HA 0.526 4.846 4.320 -0.000 0.000 0.296 262 A C -1.334 176.034 177.584 -0.360 0.000 1.073 262 A CA -0.505 51.400 52.037 -0.220 0.000 0.700 262 A CB 1.723 20.247 19.000 -0.792 0.000 1.296 262 A HN 0.744 nan 8.150 nan 0.000 0.405 263 c N 1.729 119.912 118.600 -0.695 0.000 2.273 263 c HA 0.789 5.359 4.570 -0.000 0.000 0.328 263 c C 0.260 174.035 174.090 -0.526 0.000 1.275 263 c CA -0.419 55.342 56.329 -0.947 0.000 1.704 263 c CB -0.285 41.454 42.510 -1.284 0.000 2.326 263 c HN 0.886 nan 8.230 nan 0.000 0.517 264 R N 4.173 124.423 120.500 -0.417 0.000 2.514 264 R HA 0.738 5.078 4.340 -0.000 0.000 0.301 264 R C -1.211 174.991 176.300 -0.163 0.000 0.962 264 R CA -0.417 55.573 56.100 -0.183 0.000 0.882 264 R CB 1.757 32.078 30.300 0.035 0.000 1.143 264 R HN 0.695 nan 8.270 nan 0.000 0.452 265 V N 3.666 123.545 119.914 -0.059 0.000 2.540 265 V HA 0.546 4.665 4.120 -0.000 0.000 0.302 265 V C -1.334 174.836 176.094 0.126 0.000 1.035 265 V CA -0.660 61.630 62.300 -0.017 0.000 0.873 265 V CB 1.765 33.493 31.823 -0.159 0.000 0.992 265 V HN 0.793 nan 8.190 nan 0.000 0.428 266 K N 4.666 125.209 120.400 0.238 0.000 2.292 266 K HA 0.654 4.974 4.320 -0.000 0.000 0.257 266 K C -1.400 175.293 176.600 0.156 0.000 0.940 266 K CA -0.650 55.737 56.287 0.167 0.000 0.811 266 K CB 1.771 34.334 32.500 0.105 0.000 1.120 266 K HN 0.979 nan 8.250 nan 0.000 0.428 267 H N -0.243 118.829 119.070 0.004 0.000 3.085 267 H HA 0.058 4.614 4.556 -0.000 0.000 0.356 267 H C 0.637 175.982 175.328 0.027 0.000 1.178 267 H CA -0.334 55.714 56.048 -0.001 0.000 1.214 267 H CB 1.496 31.245 29.762 -0.021 0.000 1.881 267 H HN 0.540 nan 8.280 nan 0.000 0.538 268 S N 1.663 117.026 115.700 -0.561 0.000 2.402 268 S HA -0.254 4.216 4.470 -0.000 0.000 0.233 268 S C 1.924 176.473 174.600 -0.084 0.000 1.030 268 S CA 1.608 59.628 58.200 -0.301 0.000 1.003 268 S CB -0.647 62.353 63.200 -0.333 0.000 0.813 268 S HN 0.648 nan 8.310 nan 0.000 0.477 269 S N 1.871 117.623 115.700 0.085 0.000 2.481 269 S HA 0.161 4.631 4.470 -0.000 0.000 0.231 269 S C 1.644 176.345 174.600 0.170 0.000 0.996 269 S CA 0.591 58.931 58.200 0.233 0.000 0.942 269 S CB -0.770 62.683 63.200 0.421 0.000 0.768 269 S HN 0.582 nan 8.310 nan 0.000 0.520 270 L N 1.040 122.355 121.223 0.154 0.000 2.554 270 L HA 0.280 4.620 4.340 -0.000 0.000 0.226 270 L C 1.710 178.619 176.870 0.064 0.000 1.137 270 L CA 0.255 55.160 54.840 0.109 0.000 0.863 270 L CB -1.071 41.054 42.059 0.110 0.000 0.985 270 L HN 0.541 nan 8.230 nan 0.000 0.451 271 G N 0.664 109.491 108.800 0.045 0.000 2.323 271 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.292 271 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.292 271 G C 1.021 175.930 174.900 0.015 0.000 1.040 271 G CA 0.470 45.585 45.100 0.025 0.000 0.942 271 G HN 0.672 nan 8.290 nan 0.000 0.506 272 G N -1.682 107.122 108.800 0.007 0.000 2.179 272 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.260 272 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.260 272 G C 0.417 175.322 174.900 0.009 0.000 0.977 272 G CA 0.866 45.964 45.100 -0.003 0.000 0.641 272 G HN 1.295 nan 8.290 nan 0.000 0.533 273 Q N 1.744 121.559 119.800 0.025 0.000 2.673 273 Q HA 0.341 4.681 4.340 -0.000 0.000 0.224 273 Q C -0.688 175.337 176.000 0.041 0.000 1.226 273 Q CA -0.608 55.214 55.803 0.033 0.000 1.019 273 Q CB 0.540 29.301 28.738 0.039 0.000 1.312 273 Q HN 0.404 nan 8.270 nan 0.000 0.566 274 D N 1.512 121.933 120.400 0.036 0.000 2.419 274 D HA 0.056 4.696 4.640 -0.000 0.000 0.236 274 D C 0.205 176.528 176.300 0.039 0.000 1.165 274 D CA 0.300 54.327 54.000 0.044 0.000 0.882 274 D CB 0.960 41.788 40.800 0.046 0.000 1.201 274 D HN 0.353 nan 8.370 nan 0.000 0.443 275 I N 1.601 122.188 120.570 0.028 0.000 2.416 275 I HA 0.176 4.345 4.170 -0.000 0.000 0.288 275 I C 0.137 176.237 176.117 -0.027 0.000 1.051 275 I CA -0.112 61.193 61.300 0.008 0.000 1.375 275 I CB 0.387 38.383 38.000 -0.007 0.000 1.407 275 I HN 0.037 nan 8.210 nan 0.000 0.516 276 I N 7.766 128.325 120.570 -0.018 0.000 2.439 276 I HA 0.354 4.524 4.170 -0.000 0.000 0.283 276 I C -0.694 175.383 176.117 -0.066 0.000 1.023 276 I CA -0.351 60.899 61.300 -0.084 0.000 1.100 276 I CB 1.372 39.353 38.000 -0.031 0.000 1.238 276 I HN 0.349 nan 8.210 nan 0.000 0.445 277 L N 6.769 127.893 121.223 -0.164 0.000 2.298 277 L HA 0.460 4.800 4.340 -0.000 0.000 0.284 277 L C -0.970 175.840 176.870 -0.101 0.000 1.013 277 L CA -0.698 54.107 54.840 -0.059 0.000 0.824 277 L CB 1.120 43.146 42.059 -0.054 0.000 1.221 277 L HN 0.432 nan 8.230 nan 0.000 0.418 278 Y N 2.459 122.801 120.300 0.070 0.000 2.304 278 Y HA 0.092 4.642 4.550 -0.000 0.000 0.328 278 Y C 0.436 176.457 175.900 0.201 0.000 1.123 278 Y CA 0.041 58.223 58.100 0.137 0.000 1.218 278 Y CB 1.002 39.519 38.460 0.096 0.000 1.207 278 Y HN 0.556 nan 8.280 nan 0.000 0.495 279 W N 0.000 121.459 121.300 0.265 0.000 2.388 279 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 279 W CA 0.000 57.489 57.345 0.241 0.000 1.226 279 W CB 0.000 29.614 29.460 0.256 0.000 1.126 279 W HN 0.000 nan 8.180 nan 0.000 0.535