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 3alp_1_A DATA FIRST_RESID 36 DATA SEQUENCE NDSMYGFIGT DVVLHcSFAN PLPSVKITQV TWQKSTNGSK QNVAIYNPSM DATA SEQUENCE GVSVLAPYRE RVEFLRPSFT DGTIRLSRLE LEDEGVYIcE FATFPTGNRE DATA SEQUENCE SQLNLTVMAK PTNWIEGTQA VLRAKKGQDD KVLVATcTSA NGKPPSVVSW DATA SEQUENCE ETRLKGEAEY QEIRNPNGTV TVISRYRLVP SREAHQQSLA cIVNYHMDRF DATA SEQUENCE KESLTLNVQY EPEVTIEGFD GNWYLQRMDV KLTcKADANP PATEYHWTTL DATA SEQUENCE NGSLPKGVEA QNRTLFFKGP INYSLAGTYI cEATNPIGTR SGQVEVNITE DATA SEQUENCE A 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 36 N HA 0.000 nan 4.740 nan 0.000 0.220 36 N C 0.000 175.529 175.510 0.031 0.000 1.280 36 N CA 0.000 53.063 53.050 0.023 0.000 0.885 36 N CB 0.000 38.497 38.487 0.016 0.000 1.341 37 D N 0.700 121.121 120.400 0.034 0.000 2.549 37 D HA 0.499 5.139 4.640 -0.000 0.000 0.251 37 D C -1.126 175.192 176.300 0.029 0.000 1.153 37 D CA 0.073 54.099 54.000 0.044 0.000 0.861 37 D CB 1.257 42.091 40.800 0.057 0.000 1.207 37 D HN -0.116 nan 8.370 nan 0.000 0.543 38 S N 3.565 119.281 115.700 0.027 0.000 2.532 38 S HA 0.566 5.036 4.470 -0.000 0.000 0.299 38 S C -0.195 174.348 174.600 -0.095 0.000 1.105 38 S CA -0.837 57.318 58.200 -0.075 0.000 1.018 38 S CB 1.491 64.644 63.200 -0.078 0.000 1.021 38 S HN 0.408 nan 8.310 nan 0.000 0.483 39 M N 3.122 122.568 119.600 -0.256 0.000 2.456 39 M HA 0.510 4.990 4.480 -0.000 0.000 0.324 39 M C -1.557 174.510 176.300 -0.388 0.000 1.124 39 M CA -0.387 54.819 55.300 -0.157 0.000 0.959 39 M CB 1.088 33.629 32.600 -0.099 0.000 1.692 39 M HN 0.658 nan 8.290 nan 0.000 0.444 40 Y N -0.226 120.013 120.300 -0.102 0.000 2.406 40 Y HA 0.738 5.288 4.550 0.000 0.000 0.340 40 Y C 0.531 176.305 175.900 -0.211 0.000 0.975 40 Y CA -0.900 57.098 58.100 -0.170 0.000 1.056 40 Y CB 2.482 40.810 38.460 -0.220 0.000 1.210 40 Y HN 0.818 nan 8.280 nan 0.000 0.448 41 G N 1.744 110.478 108.800 -0.109 0.000 2.619 41 G HA2 0.644 4.604 3.960 -0.000 0.000 0.296 41 G HA3 0.644 4.604 3.960 -0.000 0.000 0.296 41 G C -1.830 172.946 174.900 -0.207 0.000 1.334 41 G CA -0.753 44.266 45.100 -0.135 0.000 0.934 41 G HN 0.338 nan 8.290 nan 0.000 0.476 42 F N 0.117 120.094 119.950 0.045 0.000 2.371 42 F HA 0.432 4.959 4.527 0.000 0.000 0.329 42 F C 1.341 177.156 175.800 0.025 0.000 1.107 42 F CA -0.435 57.593 58.000 0.047 0.000 1.137 42 F CB 1.060 40.094 39.000 0.055 0.000 1.214 42 F HN 0.168 nan 8.300 nan 0.000 0.536 43 I N 2.131 122.843 120.570 0.238 0.000 2.826 43 I HA 0.035 4.205 4.170 -0.000 0.000 0.295 43 I C 1.230 177.412 176.117 0.109 0.000 1.213 43 I CA 1.522 62.898 61.300 0.127 0.000 1.436 43 I CB -0.255 37.804 38.000 0.099 0.000 1.348 43 I HN 0.909 nan 8.210 nan 0.000 0.570 44 G N 3.376 112.215 108.800 0.066 0.000 2.268 44 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.240 44 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.240 44 G C 0.410 175.336 174.900 0.042 0.000 1.010 44 G CA 0.257 45.384 45.100 0.045 0.000 0.618 44 G HN 0.792 nan 8.290 nan 0.000 0.516 45 T N -0.689 113.906 114.554 0.068 0.000 2.770 45 T HA 0.584 4.934 4.350 -0.000 0.000 0.281 45 T C -0.524 174.185 174.700 0.014 0.000 0.981 45 T CA 0.216 62.350 62.100 0.056 0.000 0.955 45 T CB 1.788 70.722 68.868 0.109 0.000 1.060 45 T HN 0.098 nan 8.240 nan 0.000 0.531 46 D N 0.410 120.808 120.400 -0.002 0.000 2.248 46 D HA 0.562 5.202 4.640 -0.000 0.000 0.246 46 D C -0.222 176.041 176.300 -0.062 0.000 1.027 46 D CA -0.452 53.520 54.000 -0.045 0.000 0.853 46 D CB 1.794 42.564 40.800 -0.050 0.000 1.243 46 D HN 0.716 nan 8.370 nan 0.000 0.462 47 V N -1.471 118.371 119.914 -0.119 0.000 2.914 47 V HA 0.736 4.856 4.120 -0.000 0.000 0.314 47 V C -0.601 175.364 176.094 -0.216 0.000 1.084 47 V CA -0.870 61.347 62.300 -0.139 0.000 0.963 47 V CB 1.977 33.709 31.823 -0.150 0.000 1.025 47 V HN 0.233 nan 8.190 nan 0.000 0.432 48 V N 4.282 124.067 119.914 -0.214 0.000 2.347 48 V HA 0.446 4.566 4.120 -0.000 0.000 0.280 48 V C -0.091 175.764 176.094 -0.399 0.000 1.021 48 V CA -0.378 61.721 62.300 -0.335 0.000 0.847 48 V CB 1.193 32.808 31.823 -0.346 0.000 0.990 48 V HN 0.769 nan 8.190 nan 0.000 0.444 49 L N 5.674 126.625 121.223 -0.453 0.000 2.259 49 L HA 0.483 4.823 4.340 -0.000 0.000 0.288 49 L C -0.141 176.661 176.870 -0.114 0.000 1.051 49 L CA -0.504 54.138 54.840 -0.330 0.000 0.824 49 L CB 0.248 41.907 42.059 -0.667 0.000 1.206 49 L HN 0.672 nan 8.230 nan 0.000 0.429 50 H N 1.568 120.730 119.070 0.153 0.000 2.582 50 H HA 0.353 4.909 4.556 -0.000 0.000 0.345 50 H C -0.390 175.137 175.328 0.332 0.000 1.104 50 H CA 0.068 56.247 56.048 0.219 0.000 1.390 50 H CB 1.472 31.315 29.762 0.135 0.000 1.461 50 H HN 0.512 nan 8.280 nan 0.000 0.551 51 c N 3.303 122.178 118.600 0.458 0.000 2.752 51 c HA 0.635 5.205 4.570 -0.000 0.000 0.360 51 c C -0.941 173.382 174.090 0.389 0.000 1.081 51 c CA -0.268 56.277 56.329 0.360 0.000 1.272 51 c CB -0.320 42.346 42.510 0.261 0.000 1.754 51 c HN 0.989 nan 8.230 nan 0.000 0.483 52 S N 4.359 120.226 115.700 0.279 0.000 2.607 52 S HA 0.808 5.278 4.470 -0.000 0.000 0.273 52 S C -1.287 173.274 174.600 -0.066 0.000 1.148 52 S CA -0.514 57.814 58.200 0.215 0.000 0.833 52 S CB 1.581 64.888 63.200 0.180 0.000 1.130 52 S HN 0.921 nan 8.310 nan 0.000 0.470 53 F N 2.120 121.832 119.950 -0.396 0.000 2.404 53 F HA 0.761 5.288 4.527 0.000 0.000 0.354 53 F C 0.990 176.643 175.800 -0.245 0.000 1.122 53 F CA -1.133 56.527 58.000 -0.566 0.000 1.080 53 F CB 1.131 39.613 39.000 -0.864 0.000 1.131 53 F HN 0.936 nan 8.300 nan 0.000 0.471 54 A N 4.650 127.701 122.820 0.386 0.000 1.858 54 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 54 A C 0.800 178.489 177.584 0.175 0.000 1.190 54 A CA 1.404 53.548 52.037 0.178 0.000 0.617 54 A CB -0.318 18.726 19.000 0.073 0.000 0.827 54 A HN 0.665 nan 8.150 nan 0.000 0.443 55 N N 0.019 118.867 118.700 0.246 0.000 2.765 55 N HA 0.270 5.010 4.740 -0.000 0.000 0.277 55 N C -3.150 172.284 175.510 -0.126 0.000 1.750 55 N CA -1.214 51.870 53.050 0.057 0.000 0.827 55 N CB 1.089 39.625 38.487 0.082 0.000 1.200 55 N HN 0.218 nan 8.380 nan 0.000 0.494 56 P HA 0.112 nan 4.420 nan 0.000 0.268 56 P C -0.186 176.948 177.300 -0.278 0.000 1.204 56 P CA 0.094 62.909 63.100 -0.476 0.000 0.768 56 P CB 1.386 32.894 31.700 -0.321 0.000 0.842 57 L N 4.692 125.748 121.223 -0.279 0.000 2.371 57 L HA 0.323 4.663 4.340 -0.000 0.000 0.262 57 L C -1.153 175.635 176.870 -0.136 0.000 1.006 57 L CA -2.107 52.640 54.840 -0.156 0.000 0.818 57 L CB 2.501 44.499 42.059 -0.102 0.000 1.354 57 L HN 0.156 nan 8.230 nan 0.000 0.415 58 P HA -0.129 nan 4.420 nan 0.000 0.216 58 P C 1.504 178.758 177.300 -0.076 0.000 1.153 58 P CA 1.147 64.195 63.100 -0.088 0.000 0.848 58 P CB 0.417 32.082 31.700 -0.060 0.000 0.787 59 S N -1.016 114.653 115.700 -0.050 0.000 2.399 59 S HA -0.017 4.453 4.470 -0.000 0.000 0.231 59 S C 0.924 175.518 174.600 -0.009 0.000 1.022 59 S CA 0.466 58.654 58.200 -0.020 0.000 0.983 59 S CB -0.492 62.705 63.200 -0.005 0.000 0.803 59 S HN -0.087 nan 8.310 nan 0.000 0.480 60 V N 2.183 122.073 119.914 -0.040 0.000 2.370 60 V HA 0.367 4.487 4.120 -0.000 0.000 0.279 60 V C -0.493 175.588 176.094 -0.021 0.000 1.029 60 V CA -0.639 61.658 62.300 -0.006 0.000 0.870 60 V CB 1.579 33.383 31.823 -0.031 0.000 0.984 60 V HN 0.043 nan 8.190 nan 0.000 0.451 61 K N 5.210 125.653 120.400 0.070 0.000 2.235 61 K HA 0.579 4.899 4.320 -0.000 0.000 0.266 61 K C -0.620 176.082 176.600 0.170 0.000 0.980 61 K CA -0.632 55.697 56.287 0.070 0.000 0.849 61 K CB 1.803 34.351 32.500 0.081 0.000 1.098 61 K HN 0.506 nan 8.250 nan 0.000 0.445 62 I N 2.490 123.197 120.570 0.229 0.000 2.396 62 I HA 0.139 4.309 4.170 -0.000 0.000 0.289 62 I C 1.547 177.829 176.117 0.276 0.000 1.056 62 I CA 0.548 62.052 61.300 0.340 0.000 1.365 62 I CB 1.246 39.546 38.000 0.501 0.000 1.407 62 I HN 0.713 nan 8.210 nan 0.000 0.509 63 T N 4.531 119.203 114.554 0.197 0.000 2.953 63 T HA 0.083 4.433 4.350 -0.000 0.000 0.247 63 T C 0.507 175.211 174.700 0.007 0.000 1.029 63 T CA 0.615 62.776 62.100 0.102 0.000 1.144 63 T CB 0.106 69.042 68.868 0.114 0.000 0.870 63 T HN 0.628 nan 8.240 nan 0.000 0.446 64 Q N -0.012 119.792 119.800 0.007 0.000 2.472 64 Q HA 0.538 4.878 4.340 -0.000 0.000 0.281 64 Q C -2.351 173.582 176.000 -0.111 0.000 0.997 64 Q CA -0.530 55.219 55.803 -0.091 0.000 0.828 64 Q CB 2.169 30.866 28.738 -0.068 0.000 1.443 64 Q HN 0.058 nan 8.270 nan 0.000 0.390 65 V N 2.079 121.885 119.914 -0.179 0.000 2.487 65 V HA 0.639 4.758 4.120 -0.000 0.000 0.298 65 V C -0.898 175.116 176.094 -0.133 0.000 1.028 65 V CA -0.317 61.800 62.300 -0.305 0.000 0.860 65 V CB 1.995 33.584 31.823 -0.389 0.000 0.991 65 V HN 0.850 nan 8.190 nan 0.000 0.427 66 T N 3.872 118.315 114.554 -0.185 0.000 2.879 66 T HA 0.440 4.790 4.350 -0.000 0.000 0.290 66 T C -1.148 173.485 174.700 -0.111 0.000 0.993 66 T CA -0.362 61.713 62.100 -0.041 0.000 0.975 66 T CB 1.012 69.865 68.868 -0.026 0.000 0.981 66 T HN 0.552 nan 8.240 nan 0.000 0.439 67 W N 2.734 124.058 121.300 0.040 0.000 2.433 67 W HA 0.540 5.200 4.660 -0.000 0.000 0.315 67 W C 0.326 176.845 176.519 0.000 0.000 1.087 67 W CA -0.554 56.796 57.345 0.008 0.000 1.205 67 W CB 1.044 30.476 29.460 -0.048 0.000 1.288 67 W HN 0.486 nan 8.180 nan 0.000 0.504 68 Q N 2.566 122.506 119.800 0.233 0.000 2.394 68 Q HA 0.395 4.735 4.340 -0.000 0.000 0.273 68 Q C -0.857 175.186 176.000 0.072 0.000 1.089 68 Q CA -1.340 54.539 55.803 0.128 0.000 0.812 68 Q CB 2.968 31.739 28.738 0.055 0.000 1.353 68 Q HN 0.299 nan 8.270 nan 0.000 0.438 69 K N 1.167 121.538 120.400 -0.048 0.000 2.185 69 K HA 0.345 4.665 4.320 -0.000 0.000 0.269 69 K C -0.931 175.549 176.600 -0.201 0.000 0.987 69 K CA -0.228 55.864 56.287 -0.325 0.000 0.865 69 K CB 1.455 33.700 32.500 -0.425 0.000 1.090 69 K HN 0.576 nan 8.250 nan 0.000 0.450 70 S N 3.046 118.609 115.700 -0.227 0.000 2.420 70 S HA 0.184 4.654 4.470 -0.000 0.000 0.313 70 S C -0.837 173.684 174.600 -0.132 0.000 1.079 70 S CA -0.376 57.748 58.200 -0.127 0.000 1.104 70 S CB 1.036 64.185 63.200 -0.084 0.000 0.969 70 S HN 0.591 nan 8.310 nan 0.000 0.471 71 T N 5.719 120.219 114.554 -0.089 0.000 2.770 71 T HA 0.357 4.707 4.350 -0.000 0.000 0.283 71 T C -0.202 174.474 174.700 -0.039 0.000 0.988 71 T CA -0.664 61.397 62.100 -0.064 0.000 0.957 71 T CB 0.184 69.022 68.868 -0.049 0.000 0.930 71 T HN 0.750 nan 8.240 nan 0.000 0.443 72 N N 2.312 120.993 118.700 -0.033 0.000 2.513 72 N HA 0.271 5.011 4.740 -0.000 0.000 0.268 72 N C 1.231 176.727 175.510 -0.023 0.000 1.180 72 N CA 1.016 54.048 53.050 -0.031 0.000 0.948 72 N CB 1.070 39.542 38.487 -0.025 0.000 1.083 72 N HN 1.032 nan 8.380 nan 0.000 0.455 73 G N 0.878 109.665 108.800 -0.022 0.000 2.179 73 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 73 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 73 G C -0.010 174.881 174.900 -0.016 0.000 0.977 73 G CA 0.524 45.614 45.100 -0.016 0.000 0.641 73 G HN 0.772 nan 8.290 nan 0.000 0.533 74 S N -0.830 114.858 115.700 -0.021 0.000 2.532 74 S HA 0.760 5.230 4.470 -0.000 0.000 0.299 74 S C -0.711 173.875 174.600 -0.022 0.000 1.105 74 S CA -0.675 57.515 58.200 -0.017 0.000 1.018 74 S CB 2.378 65.569 63.200 -0.015 0.000 1.021 74 S HN 0.340 nan 8.310 nan 0.000 0.483 75 K N 2.591 122.983 120.400 -0.013 0.000 2.339 75 K HA 0.330 4.650 4.320 -0.000 0.000 0.264 75 K C -0.393 176.212 176.600 0.007 0.000 0.986 75 K CA -0.428 55.852 56.287 -0.011 0.000 0.866 75 K CB 1.513 34.009 32.500 -0.007 0.000 1.103 75 K HN 0.843 nan 8.250 nan 0.000 0.441 76 Q N 2.161 121.970 119.800 0.016 0.000 2.306 76 Q HA 0.360 4.700 4.340 -0.000 0.000 0.265 76 Q C -0.663 175.384 176.000 0.078 0.000 1.022 76 Q CA -1.025 54.807 55.803 0.049 0.000 0.853 76 Q CB 1.414 30.190 28.738 0.064 0.000 1.327 76 Q HN 0.304 nan 8.270 nan 0.000 0.449 77 N N 1.032 119.788 118.700 0.093 0.000 2.529 77 N HA 0.104 4.844 4.740 -0.000 0.000 0.278 77 N C -0.147 175.456 175.510 0.155 0.000 1.146 77 N CA -0.043 53.073 53.050 0.111 0.000 0.980 77 N CB 1.888 40.432 38.487 0.095 0.000 1.124 77 N HN 0.500 nan 8.380 nan 0.000 0.458 78 V N 0.431 120.419 119.914 0.122 0.000 2.840 78 V HA 0.361 4.481 4.120 -0.000 0.000 0.234 78 V C 0.395 176.501 176.094 0.019 0.000 1.159 78 V CA 0.688 62.986 62.300 -0.003 0.000 1.194 78 V CB 0.125 31.831 31.823 -0.194 0.000 0.971 78 V HN 0.799 nan 8.190 nan 0.000 0.494 79 A N -0.107 122.778 122.820 0.108 0.000 2.574 79 A HA 0.822 5.142 4.320 -0.000 0.000 0.297 79 A C -1.891 175.924 177.584 0.385 0.000 1.062 79 A CA -0.288 51.865 52.037 0.194 0.000 0.686 79 A CB 1.768 20.745 19.000 -0.037 0.000 1.285 79 A HN 0.147 nan 8.150 nan 0.000 0.403 80 I N 0.887 121.708 120.570 0.417 0.000 2.582 80 I HA 0.464 4.634 4.170 -0.000 0.000 0.292 80 I C -1.137 175.109 176.117 0.217 0.000 1.066 80 I CA -0.321 61.153 61.300 0.290 0.000 1.053 80 I CB 2.110 40.185 38.000 0.125 0.000 1.241 80 I HN 0.614 nan 8.210 nan 0.000 0.421 81 Y N 6.229 126.436 120.300 -0.156 0.000 2.326 81 Y HA 0.572 5.122 4.550 -0.000 0.000 0.329 81 Y C -1.027 174.718 175.900 -0.259 0.000 0.973 81 Y CA -0.818 57.035 58.100 -0.413 0.000 1.162 81 Y CB 1.166 39.082 38.460 -0.907 0.000 1.147 81 Y HN 0.599 nan 8.280 nan 0.000 0.456 82 N N 8.995 127.231 118.700 -0.773 0.000 2.479 82 N HA 0.320 5.060 4.740 -0.000 0.000 0.261 82 N C -2.144 172.825 175.510 -0.902 0.000 0.979 82 N CA -2.385 50.244 53.050 -0.702 0.000 0.930 82 N CB 2.321 40.617 38.487 -0.318 0.000 1.172 82 N HN 0.397 nan 8.380 nan 0.000 0.499 83 P HA -0.158 nan 4.420 nan 0.000 0.218 83 P C 0.731 177.839 177.300 -0.320 0.000 1.154 83 P CA 1.527 64.225 63.100 -0.669 0.000 0.872 83 P CB 0.254 31.626 31.700 -0.546 0.000 0.790 84 S N -1.615 113.949 115.700 -0.228 0.000 2.527 84 S HA 0.150 4.619 4.470 -0.000 0.000 0.222 84 S C 1.723 176.255 174.600 -0.113 0.000 0.985 84 S CA 0.786 58.913 58.200 -0.121 0.000 0.921 84 S CB -0.380 62.772 63.200 -0.080 0.000 0.772 84 S HN 0.198 nan 8.310 nan 0.000 0.529 85 M N -0.027 119.479 119.600 -0.157 0.000 2.231 85 M HA 0.328 4.808 4.480 -0.000 0.000 0.347 85 M C 0.925 177.169 176.300 -0.093 0.000 0.901 85 M CA 0.282 55.519 55.300 -0.105 0.000 1.064 85 M CB 1.527 34.071 32.600 -0.094 0.000 1.861 85 M HN 0.385 nan 8.290 nan 0.000 0.638 86 G N 0.880 109.597 108.800 -0.138 0.000 2.451 86 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.208 86 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.208 86 G C -1.091 173.801 174.900 -0.013 0.000 1.248 86 G CA -0.845 44.228 45.100 -0.045 0.000 0.989 86 G HN 0.034 nan 8.290 nan 0.000 0.559 87 V N 0.268 120.226 119.914 0.072 0.000 2.769 87 V HA 0.815 4.935 4.120 -0.000 0.000 0.312 87 V C 0.408 176.572 176.094 0.118 0.000 1.058 87 V CA 0.309 62.679 62.300 0.117 0.000 0.952 87 V CB 1.693 33.606 31.823 0.149 0.000 1.019 87 V HN 1.727 nan 8.190 nan 0.000 0.445 88 S N 2.889 118.691 115.700 0.172 0.000 2.720 88 S HA 0.655 5.125 4.470 -0.000 0.000 0.278 88 S C -1.293 173.423 174.600 0.193 0.000 1.172 88 S CA -0.466 57.822 58.200 0.146 0.000 1.019 88 S CB 1.415 64.673 63.200 0.098 0.000 1.049 88 S HN 0.458 nan 8.310 nan 0.000 0.483 89 V N 5.957 125.965 119.914 0.156 0.000 2.547 89 V HA 0.578 4.698 4.120 -0.000 0.000 0.299 89 V C -0.104 176.068 176.094 0.131 0.000 1.040 89 V CA -0.720 61.664 62.300 0.139 0.000 0.913 89 V CB 1.496 33.381 31.823 0.103 0.000 0.992 89 V HN 0.846 nan 8.190 nan 0.000 0.449 90 L N 2.987 124.308 121.223 0.162 0.000 2.334 90 L HA 0.743 5.083 4.340 -0.000 0.000 0.272 90 L C 0.707 177.681 176.870 0.172 0.000 1.020 90 L CA -0.752 54.181 54.840 0.154 0.000 0.812 90 L CB 1.595 43.749 42.059 0.159 0.000 1.264 90 L HN 0.765 nan 8.230 nan 0.000 0.439 91 A N 2.587 125.457 122.820 0.082 0.000 2.531 91 A HA 0.318 4.637 4.320 -0.000 0.000 0.236 91 A C -2.062 175.491 177.584 -0.052 0.000 1.062 91 A CA -0.565 51.475 52.037 0.005 0.000 0.760 91 A CB -0.496 18.496 19.000 -0.013 0.000 0.995 91 A HN 0.548 nan 8.150 nan 0.000 0.501 92 P HA 0.341 nan 4.420 nan 0.000 0.211 92 P C -0.936 176.103 177.300 -0.434 0.000 1.856 92 P CA 0.410 63.307 63.100 -0.337 0.000 0.962 92 P CB -0.224 31.247 31.700 -0.383 0.000 1.785 93 Y N -0.819 119.476 120.300 -0.008 0.000 2.626 93 Y HA 0.246 4.796 4.550 -0.000 0.000 0.248 93 Y C 1.850 177.733 175.900 -0.028 0.000 1.147 93 Y CA -0.266 57.818 58.100 -0.026 0.000 1.219 93 Y CB 0.251 38.690 38.460 -0.034 0.000 1.279 93 Y HN -0.120 nan 8.280 nan 0.000 0.541 94 R N 0.714 121.273 120.500 0.098 0.000 2.127 94 R HA -0.123 4.217 4.340 -0.000 0.000 0.238 94 R C 1.031 177.359 176.300 0.047 0.000 1.134 94 R CA 1.597 57.739 56.100 0.071 0.000 0.975 94 R CB -0.224 30.104 30.300 0.046 0.000 0.865 94 R HN 0.347 nan 8.270 nan 0.000 0.447 95 E N -0.553 119.668 120.200 0.035 0.000 2.476 95 E HA 0.123 4.473 4.350 -0.000 0.000 0.196 95 E C 0.821 177.429 176.600 0.012 0.000 1.029 95 E CA 0.012 56.422 56.400 0.017 0.000 0.896 95 E CB 0.569 30.272 29.700 0.006 0.000 1.012 95 E HN 0.234 nan 8.360 nan 0.000 0.475 96 R N -0.639 119.879 120.500 0.030 0.000 2.513 96 R HA 0.234 4.574 4.340 -0.000 0.000 0.245 96 R C -0.214 176.059 176.300 -0.044 0.000 0.908 96 R CA 0.036 56.144 56.100 0.015 0.000 1.023 96 R CB 1.535 31.879 30.300 0.074 0.000 1.338 96 R HN -0.123 nan 8.270 nan 0.000 0.575 97 V N 2.550 122.426 119.914 -0.063 0.000 2.656 97 V HA 0.323 4.443 4.120 -0.000 0.000 0.307 97 V C -0.813 175.170 176.094 -0.185 0.000 1.051 97 V CA -0.810 61.368 62.300 -0.202 0.000 0.893 97 V CB 1.914 33.551 31.823 -0.309 0.000 0.999 97 V HN 0.254 nan 8.190 nan 0.000 0.426 98 E N 3.293 123.345 120.200 -0.248 0.000 2.352 98 E HA 0.562 4.912 4.350 -0.000 0.000 0.280 98 E C -1.631 174.835 176.600 -0.224 0.000 0.930 98 E CA -0.863 55.446 56.400 -0.153 0.000 0.765 98 E CB 1.684 31.352 29.700 -0.053 0.000 1.219 98 E HN 0.314 nan 8.360 nan 0.000 0.434 99 F N 2.147 122.050 119.950 -0.078 0.000 2.484 99 F HA 0.124 4.651 4.527 -0.000 0.000 0.360 99 F C 1.573 177.323 175.800 -0.083 0.000 1.101 99 F CA -0.335 57.616 58.000 -0.082 0.000 1.251 99 F CB 0.607 39.549 39.000 -0.098 0.000 1.132 99 F HN 0.477 nan 8.300 nan 0.000 0.570 100 L N 2.505 123.775 121.223 0.078 0.000 2.056 100 L HA -0.072 4.268 4.340 -0.000 0.000 0.207 100 L C 1.341 178.237 176.870 0.043 0.000 1.078 100 L CA 1.338 56.199 54.840 0.035 0.000 0.749 100 L CB -0.271 41.795 42.059 0.012 0.000 0.901 100 L HN 0.632 nan 8.230 nan 0.000 0.433 101 R N -0.657 119.875 120.500 0.053 0.000 2.797 101 R HA 0.298 4.638 4.340 -0.000 0.000 0.230 101 R C -2.941 173.304 176.300 -0.091 0.000 1.591 101 R CA -1.271 54.826 56.100 -0.004 0.000 1.501 101 R CB -0.018 30.297 30.300 0.026 0.000 1.524 101 R HN -0.107 nan 8.270 nan 0.000 0.711 102 P HA 0.067 nan 4.420 nan 0.000 0.265 102 P C -0.517 176.402 177.300 -0.635 0.000 1.193 102 P CA 0.407 63.055 63.100 -0.753 0.000 0.765 102 P CB 1.308 32.222 31.700 -1.311 0.000 0.823 103 S N 1.690 117.094 115.700 -0.493 0.000 2.615 103 S HA 0.327 4.797 4.470 -0.000 0.000 0.268 103 S C 0.157 174.839 174.600 0.136 0.000 1.146 103 S CA -0.639 57.505 58.200 -0.094 0.000 0.818 103 S CB -0.256 62.962 63.200 0.030 0.000 1.111 103 S HN 0.056 nan 8.310 nan 0.000 0.465 104 F N 1.797 121.885 119.950 0.229 0.000 2.373 104 F HA 0.054 4.581 4.527 -0.000 0.000 0.300 104 F C 2.352 178.335 175.800 0.305 0.000 1.080 104 F CA 1.781 59.924 58.000 0.238 0.000 1.417 104 F CB 0.013 39.075 39.000 0.104 0.000 1.070 104 F HN 0.838 nan 8.300 nan 0.000 0.546 105 T N -5.795 109.017 114.554 0.430 0.000 3.130 105 T HA 0.133 4.482 4.350 -0.000 0.000 0.288 105 T C -0.144 174.791 174.700 0.392 0.000 0.936 105 T CA -0.341 61.967 62.100 0.347 0.000 0.897 105 T CB 0.233 69.193 68.868 0.154 0.000 1.178 105 T HN -0.013 nan 8.240 nan 0.000 0.543 106 D N 0.399 121.028 120.400 0.383 0.000 2.696 106 D HA 0.533 5.173 4.640 -0.000 0.000 0.251 106 D C 0.233 176.722 176.300 0.315 0.000 1.188 106 D CA -0.462 53.742 54.000 0.341 0.000 0.876 106 D CB 1.879 42.802 40.800 0.205 0.000 1.334 106 D HN 0.244 nan 8.370 nan 0.000 0.540 107 G N 2.158 111.206 108.800 0.413 0.000 3.596 107 G HA2 0.055 4.015 3.960 -0.000 0.000 0.274 107 G HA3 0.055 4.015 3.960 -0.000 0.000 0.274 107 G C 0.465 175.753 174.900 0.647 0.000 1.007 107 G CA -0.135 45.237 45.100 0.453 0.000 0.825 107 G HN 0.433 nan 8.290 nan 0.000 0.508 108 T N 2.392 117.208 114.554 0.437 0.000 2.891 108 T HA 0.260 4.610 4.350 -0.000 0.000 0.296 108 T C 0.550 175.291 174.700 0.068 0.000 1.025 108 T CA 0.708 62.968 62.100 0.266 0.000 1.149 108 T CB 0.392 69.347 68.868 0.146 0.000 1.007 108 T HN 0.435 nan 8.240 nan 0.000 0.528 109 I N 0.373 120.802 120.570 -0.236 0.000 2.957 109 I HA 0.762 4.932 4.170 -0.000 0.000 0.310 109 I C -0.323 175.514 176.117 -0.468 0.000 1.063 109 I CA -1.650 59.346 61.300 -0.507 0.000 1.033 109 I CB 2.353 39.777 38.000 -0.960 0.000 1.230 109 I HN 0.427 nan 8.210 nan 0.000 0.447 110 R N 3.875 124.135 120.500 -0.400 0.000 2.494 110 R HA 0.600 4.940 4.340 -0.000 0.000 0.305 110 R C -1.934 174.160 176.300 -0.343 0.000 0.959 110 R CA -0.711 55.191 56.100 -0.329 0.000 0.864 110 R CB 1.853 32.027 30.300 -0.210 0.000 1.159 110 R HN 0.853 nan 8.270 nan 0.000 0.446 111 L N 3.733 124.750 121.223 -0.343 0.000 2.272 111 L HA 0.393 4.733 4.340 -0.000 0.000 0.289 111 L C -0.829 175.940 176.870 -0.168 0.000 1.032 111 L CA -0.288 54.381 54.840 -0.284 0.000 0.810 111 L CB 1.829 43.673 42.059 -0.359 0.000 1.205 111 L HN 0.794 nan 8.230 nan 0.000 0.422 112 S N 3.248 118.886 115.700 -0.104 0.000 2.638 112 S HA 0.531 5.001 4.470 -0.000 0.000 0.298 112 S C -0.405 174.176 174.600 -0.031 0.000 1.111 112 S CA -0.675 57.487 58.200 -0.063 0.000 1.027 112 S CB 1.662 64.831 63.200 -0.051 0.000 1.064 112 S HN 0.635 nan 8.310 nan 0.000 0.525 113 R N 0.508 120.997 120.500 -0.019 0.000 3.079 113 R HA -0.127 4.213 4.340 -0.000 0.000 0.254 113 R C -1.066 175.236 176.300 0.003 0.000 0.900 113 R CA 0.000 56.098 56.100 -0.003 0.000 0.641 113 R CB -1.896 28.402 30.300 -0.003 0.000 1.307 113 R HN 0.394 nan 8.270 nan 0.000 0.477 114 L N 1.634 122.859 121.223 0.004 0.000 2.485 114 L HA 0.092 4.432 4.340 -0.000 0.000 0.275 114 L C 1.033 177.916 176.870 0.023 0.000 1.207 114 L CA 0.726 55.571 54.840 0.008 0.000 0.855 114 L CB 0.336 42.399 42.059 0.006 0.000 1.114 114 L HN 0.509 nan 8.230 nan 0.000 0.485 115 E N 2.945 123.161 120.200 0.027 0.000 2.369 115 E HA 0.267 4.617 4.350 -0.000 0.000 0.270 115 E C 0.253 176.873 176.600 0.033 0.000 0.909 115 E CA -0.946 55.471 56.400 0.028 0.000 0.775 115 E CB 0.952 30.663 29.700 0.019 0.000 1.270 115 E HN 0.160 nan 8.360 nan 0.000 0.445 116 L N 1.149 122.390 121.223 0.031 0.000 2.051 116 L HA -0.221 4.119 4.340 -0.000 0.000 0.214 116 L C 1.750 178.640 176.870 0.033 0.000 1.076 116 L CA 1.907 56.766 54.840 0.031 0.000 0.758 116 L CB -1.493 40.582 42.059 0.027 0.000 0.890 116 L HN 0.710 nan 8.230 nan 0.000 0.433 117 E N -0.597 119.622 120.200 0.030 0.000 2.472 117 E HA -0.140 4.210 4.350 -0.000 0.000 0.200 117 E C 1.547 178.183 176.600 0.061 0.000 1.046 117 E CA 0.428 56.847 56.400 0.032 0.000 0.871 117 E CB -0.253 29.456 29.700 0.015 0.000 0.806 117 E HN 0.428 nan 8.360 nan 0.000 0.533 118 D N 0.790 121.240 120.400 0.083 0.000 2.347 118 D HA -0.044 4.596 4.640 -0.000 0.000 0.213 118 D C 0.086 176.493 176.300 0.178 0.000 0.985 118 D CA 0.261 54.355 54.000 0.156 0.000 0.879 118 D CB 0.076 40.955 40.800 0.132 0.000 0.919 118 D HN 0.281 nan 8.370 nan 0.000 0.526 119 E N 0.593 120.849 120.200 0.094 0.000 2.534 119 E HA 0.266 4.616 4.350 -0.000 0.000 0.264 119 E C 0.697 177.331 176.600 0.058 0.000 0.981 119 E CA 0.572 57.014 56.400 0.071 0.000 0.948 119 E CB 0.830 30.546 29.700 0.026 0.000 0.934 119 E HN 0.213 nan 8.360 nan 0.000 0.459 120 G N 0.661 109.493 108.800 0.053 0.000 2.345 120 G HA2 0.098 4.058 3.960 -0.000 0.000 0.285 120 G HA3 0.098 4.058 3.960 -0.000 0.000 0.285 120 G C -1.445 173.425 174.900 -0.050 0.000 1.297 120 G CA -0.855 44.210 45.100 -0.058 0.000 0.875 120 G HN 0.379 nan 8.290 nan 0.000 0.506 121 V N 0.755 120.578 119.914 -0.151 0.000 2.394 121 V HA 0.542 4.662 4.120 -0.000 0.000 0.282 121 V C -0.966 175.012 176.094 -0.193 0.000 1.031 121 V CA -0.450 61.811 62.300 -0.065 0.000 0.881 121 V CB 0.924 32.720 31.823 -0.046 0.000 0.982 121 V HN 0.547 nan 8.190 nan 0.000 0.451 122 Y N 5.159 125.510 120.300 0.086 0.000 2.335 122 Y HA 0.591 5.141 4.550 0.000 0.000 0.339 122 Y C 0.049 176.086 175.900 0.227 0.000 0.987 122 Y CA -0.558 57.660 58.100 0.197 0.000 1.140 122 Y CB 1.334 39.938 38.460 0.241 0.000 1.173 122 Y HN 0.464 nan 8.280 nan 0.000 0.486 123 I N 3.512 124.220 120.570 0.231 0.000 2.336 123 I HA 0.256 4.426 4.170 -0.000 0.000 0.292 123 I C -0.515 175.497 176.117 -0.175 0.000 0.991 123 I CA -0.357 60.966 61.300 0.040 0.000 1.227 123 I CB 1.196 39.190 38.000 -0.010 0.000 1.366 123 I HN 0.586 nan 8.210 nan 0.000 0.466 124 c N 7.029 125.318 118.600 -0.519 0.000 2.281 124 c HA 0.531 5.101 4.570 -0.000 0.000 0.323 124 c C -0.131 173.692 174.090 -0.445 0.000 1.270 124 c CA -0.302 55.445 56.329 -0.969 0.000 1.559 124 c CB -0.318 41.194 42.510 -1.663 0.000 2.239 124 c HN 0.911 nan 8.230 nan 0.000 0.488 125 E N 5.038 125.021 120.200 -0.361 0.000 2.176 125 E HA 0.428 4.778 4.350 -0.000 0.000 0.267 125 E C -1.583 174.910 176.600 -0.177 0.000 0.893 125 E CA -0.486 55.818 56.400 -0.161 0.000 0.761 125 E CB 0.878 30.517 29.700 -0.102 0.000 1.133 125 E HN 0.676 nan 8.360 nan 0.000 0.409 126 F N 2.932 122.831 119.950 -0.086 0.000 2.350 126 F HA 0.375 4.901 4.527 -0.000 0.000 0.365 126 F C 0.603 176.426 175.800 0.039 0.000 1.122 126 F CA -0.489 57.519 58.000 0.013 0.000 1.139 126 F CB 1.377 40.412 39.000 0.059 0.000 1.220 126 F HN 0.521 nan 8.300 nan 0.000 0.499 127 A N 3.186 126.097 122.820 0.153 0.000 2.404 127 A HA 0.559 4.879 4.320 -0.000 0.000 0.273 127 A C 0.259 177.973 177.584 0.216 0.000 1.144 127 A CA -0.069 52.054 52.037 0.143 0.000 0.806 127 A CB -0.010 19.039 19.000 0.083 0.000 1.080 127 A HN 0.709 nan 8.150 nan 0.000 0.509 128 T N -0.262 114.421 114.554 0.214 0.000 2.906 128 T HA 0.718 5.068 4.350 -0.000 0.000 0.295 128 T C -0.911 173.925 174.700 0.225 0.000 1.075 128 T CA -0.579 61.670 62.100 0.248 0.000 1.005 128 T CB 1.275 70.315 68.868 0.287 0.000 1.136 128 T HN 0.665 nan 8.240 nan 0.000 0.498 129 F N 2.958 122.957 119.950 0.081 0.000 2.556 129 F HA 0.622 5.149 4.527 -0.000 0.000 0.314 129 F C -2.127 173.694 175.800 0.036 0.000 1.106 129 F CA -2.520 55.511 58.000 0.050 0.000 0.911 129 F CB 2.921 41.943 39.000 0.038 0.000 1.190 129 F HN 0.437 nan 8.300 nan 0.000 0.448 130 P HA 0.082 nan 4.420 nan 0.000 0.259 130 P C 0.445 177.500 177.300 -0.408 0.000 1.530 130 P CA 0.226 62.823 63.100 -0.839 0.000 1.022 130 P CB 0.022 31.352 31.700 -0.616 0.000 1.514 131 T N -4.537 109.924 114.554 -0.155 0.000 3.107 131 T HA 0.406 4.756 4.350 -0.000 0.000 0.249 131 T C 1.099 175.769 174.700 -0.050 0.000 1.096 131 T CA 0.407 62.463 62.100 -0.073 0.000 1.012 131 T CB -0.349 68.527 68.868 0.015 0.000 0.977 131 T HN 0.306 nan 8.240 nan 0.000 0.527 132 G N 1.912 110.680 108.800 -0.054 0.000 2.632 132 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.224 132 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.224 132 G C -1.012 173.909 174.900 0.035 0.000 1.341 132 G CA -0.633 44.456 45.100 -0.017 0.000 0.880 132 G HN 0.581 nan 8.290 nan 0.000 0.566 133 N N 0.606 119.320 118.700 0.023 0.000 2.524 133 N HA 0.644 5.384 4.740 -0.000 0.000 0.283 133 N C 0.244 175.753 175.510 -0.001 0.000 1.142 133 N CA -0.255 52.815 53.050 0.033 0.000 0.984 133 N CB 1.263 39.763 38.487 0.020 0.000 1.155 133 N HN 0.632 nan 8.380 nan 0.000 0.467 134 R N 1.456 121.953 120.500 -0.005 0.000 2.502 134 R HA 0.215 4.555 4.340 -0.000 0.000 0.300 134 R C -0.970 175.300 176.300 -0.049 0.000 0.984 134 R CA -0.396 55.648 56.100 -0.094 0.000 0.882 134 R CB 0.998 31.121 30.300 -0.295 0.000 1.180 134 R HN 0.902 nan 8.270 nan 0.000 0.444 135 E N 1.466 121.627 120.200 -0.064 0.000 2.336 135 E HA 0.568 4.918 4.350 -0.000 0.000 0.267 135 E C -1.277 175.285 176.600 -0.063 0.000 0.906 135 E CA -0.852 55.514 56.400 -0.056 0.000 0.781 135 E CB 1.993 31.658 29.700 -0.058 0.000 1.261 135 E HN 0.452 nan 8.360 nan 0.000 0.436 136 S N 1.509 117.168 115.700 -0.069 0.000 2.536 136 S HA 0.439 4.909 4.470 -0.000 0.000 0.287 136 S C -0.658 173.928 174.600 -0.025 0.000 1.101 136 S CA -0.889 57.287 58.200 -0.040 0.000 0.950 136 S CB 1.756 64.944 63.200 -0.019 0.000 1.056 136 S HN 0.601 nan 8.310 nan 0.000 0.481 137 Q N 0.789 120.602 119.800 0.022 0.000 2.351 137 Q HA 0.817 5.157 4.340 -0.000 0.000 0.273 137 Q C -1.284 174.780 176.000 0.108 0.000 1.077 137 Q CA -1.147 54.696 55.803 0.067 0.000 0.843 137 Q CB 2.084 30.847 28.738 0.041 0.000 1.367 137 Q HN 0.760 nan 8.270 nan 0.000 0.449 138 L N -1.852 119.469 121.223 0.164 0.000 2.506 138 L HA 0.528 4.868 4.340 -0.000 0.000 0.257 138 L C -1.048 175.899 176.870 0.129 0.000 0.964 138 L CA -0.876 54.042 54.840 0.130 0.000 0.836 138 L CB 1.534 43.676 42.059 0.138 0.000 1.384 138 L HN 0.415 nan 8.230 nan 0.000 0.410 139 N N 2.057 120.779 118.700 0.037 0.000 2.444 139 N HA 0.419 5.159 4.740 -0.000 0.000 0.271 139 N C -1.370 174.095 175.510 -0.075 0.000 1.069 139 N CA -0.444 52.602 53.050 -0.007 0.000 0.965 139 N CB 1.968 40.411 38.487 -0.074 0.000 1.092 139 N HN 0.630 nan 8.380 nan 0.000 0.476 140 L N 2.636 123.866 121.223 0.011 0.000 2.272 140 L HA 0.313 4.653 4.340 -0.000 0.000 0.289 140 L C -0.435 176.364 176.870 -0.120 0.000 1.032 140 L CA -0.201 54.596 54.840 -0.071 0.000 0.810 140 L CB 1.149 43.234 42.059 0.044 0.000 1.205 140 L HN 0.407 nan 8.230 nan 0.000 0.422 141 T N 3.992 118.383 114.554 -0.272 0.000 2.779 141 T HA 0.402 4.752 4.350 -0.000 0.000 0.280 141 T C -0.285 174.351 174.700 -0.105 0.000 0.987 141 T CA -0.304 61.679 62.100 -0.194 0.000 0.966 141 T CB 1.750 70.439 68.868 -0.298 0.000 0.933 141 T HN 0.263 nan 8.240 nan 0.000 0.442 142 V N 5.433 125.322 119.914 -0.041 0.000 2.427 142 V HA 0.495 4.615 4.120 -0.000 0.000 0.286 142 V C 0.018 176.108 176.094 -0.007 0.000 1.034 142 V CA -0.635 61.649 62.300 -0.027 0.000 0.893 142 V CB 1.243 33.070 31.823 0.006 0.000 0.982 142 V HN 0.849 nan 8.190 nan 0.000 0.452 143 M N 3.612 123.184 119.600 -0.045 0.000 2.644 143 M HA 0.840 5.320 4.480 -0.000 0.000 0.316 143 M C -0.328 176.089 176.300 0.194 0.000 1.200 143 M CA -0.528 54.778 55.300 0.011 0.000 0.944 143 M CB 2.272 34.709 32.600 -0.272 0.000 1.691 143 M HN 0.674 nan 8.290 nan 0.000 0.471 144 A N 1.743 124.711 122.820 0.247 0.000 2.381 144 A HA 0.524 4.844 4.320 -0.000 0.000 0.299 144 A C -1.152 176.430 177.584 -0.004 0.000 1.049 144 A CA -0.790 51.352 52.037 0.174 0.000 0.715 144 A CB 1.202 20.244 19.000 0.071 0.000 1.222 144 A HN 0.802 nan 8.150 nan 0.000 0.428 145 K N 3.923 124.264 120.400 -0.099 0.000 2.349 145 K HA 0.349 4.669 4.320 -0.000 0.000 0.288 145 K C -2.153 174.216 176.600 -0.384 0.000 1.058 145 K CA -1.623 54.373 56.287 -0.485 0.000 0.953 145 K CB 0.596 32.904 32.500 -0.320 0.000 0.997 145 K HN 0.532 nan 8.250 nan 0.000 0.477 146 P HA 0.019 nan 4.420 nan 0.000 0.271 146 P C -0.744 176.436 177.300 -0.200 0.000 1.244 146 P CA -0.274 62.667 63.100 -0.265 0.000 0.793 146 P CB 0.659 32.207 31.700 -0.254 0.000 0.984 147 T N 2.419 116.907 114.554 -0.110 0.000 2.770 147 T HA 0.319 4.669 4.350 -0.000 0.000 0.283 147 T C -0.201 174.476 174.700 -0.038 0.000 0.988 147 T CA -0.437 61.635 62.100 -0.046 0.000 0.957 147 T CB 0.055 68.963 68.868 0.067 0.000 0.930 147 T HN 0.320 nan 8.240 nan 0.000 0.443 148 N N 2.992 121.552 118.700 -0.233 0.000 2.314 148 N HA 0.707 5.447 4.740 -0.000 0.000 0.304 148 N C -0.910 174.507 175.510 -0.155 0.000 1.073 148 N CA -0.681 52.067 53.050 -0.504 0.000 0.822 148 N CB 2.313 39.977 38.487 -1.372 0.000 1.280 148 N HN 0.806 nan 8.380 nan 0.000 0.489 149 W N 0.861 122.011 121.300 -0.252 0.000 3.057 149 W HA 0.666 5.326 4.660 -0.000 0.000 0.328 149 W C -2.240 174.311 176.519 0.052 0.000 1.232 149 W CA -0.955 56.384 57.345 -0.009 0.000 1.187 149 W CB 0.639 30.099 29.460 -0.001 0.000 1.417 149 W HN 0.379 nan 8.180 nan 0.000 0.569 150 I N 2.253 122.993 120.570 0.284 0.000 2.689 150 I HA 0.587 4.757 4.170 -0.000 0.000 0.299 150 I C -1.194 175.091 176.117 0.279 0.000 1.059 150 I CA -1.026 60.374 61.300 0.166 0.000 1.055 150 I CB 2.068 40.166 38.000 0.164 0.000 1.243 150 I HN 0.689 nan 8.210 nan 0.000 0.425 151 E N 5.168 125.501 120.200 0.221 0.000 2.321 151 E HA 0.543 4.893 4.350 -0.000 0.000 0.281 151 E C -1.105 175.591 176.600 0.159 0.000 0.910 151 E CA -1.006 55.521 56.400 0.212 0.000 0.770 151 E CB 1.596 31.452 29.700 0.260 0.000 1.225 151 E HN 0.644 nan 8.360 nan 0.000 0.417 152 G N 1.448 110.324 108.800 0.127 0.000 2.580 152 G HA2 0.428 4.388 3.960 -0.000 0.000 0.278 152 G HA3 0.428 4.388 3.960 -0.000 0.000 0.278 152 G C 0.115 175.064 174.900 0.082 0.000 1.212 152 G CA -0.331 44.827 45.100 0.097 0.000 0.939 152 G HN 0.586 nan 8.290 nan 0.000 0.513 153 T N -1.239 113.352 114.554 0.063 0.000 2.898 153 T HA 0.185 4.535 4.350 -0.000 0.000 0.301 153 T C 0.997 175.727 174.700 0.049 0.000 1.049 153 T CA -0.197 61.934 62.100 0.052 0.000 1.095 153 T CB 1.469 70.360 68.868 0.039 0.000 0.976 153 T HN 0.372 nan 8.240 nan 0.000 0.539 154 Q N 0.527 120.353 119.800 0.043 0.000 2.311 154 Q HA 0.302 4.642 4.340 -0.000 0.000 0.203 154 Q C 1.194 177.213 176.000 0.032 0.000 0.954 154 Q CA 0.556 56.382 55.803 0.037 0.000 0.885 154 Q CB -0.377 28.381 28.738 0.034 0.000 0.963 154 Q HN 0.932 nan 8.270 nan 0.000 0.471 155 A N 0.275 123.113 122.820 0.030 0.000 2.507 155 A HA 0.259 4.579 4.320 -0.000 0.000 0.235 155 A C -0.017 177.584 177.584 0.028 0.000 1.070 155 A CA -0.217 51.835 52.037 0.025 0.000 0.768 155 A CB 0.156 19.168 19.000 0.021 0.000 1.011 155 A HN 0.206 nan 8.150 nan 0.000 0.502 156 V N 1.635 121.564 119.914 0.025 0.000 2.353 156 V HA 0.390 4.510 4.120 -0.000 0.000 0.264 156 V C 0.098 176.211 176.094 0.032 0.000 1.049 156 V CA -0.511 61.806 62.300 0.028 0.000 0.896 156 V CB -0.424 31.411 31.823 0.020 0.000 1.025 156 V HN 0.595 nan 8.190 nan 0.000 0.475 157 L N 5.357 126.607 121.223 0.045 0.000 2.462 157 L HA 0.447 4.787 4.340 -0.000 0.000 0.272 157 L C 0.615 177.519 176.870 0.057 0.000 1.166 157 L CA 0.342 55.212 54.840 0.050 0.000 0.880 157 L CB 0.357 42.453 42.059 0.062 0.000 1.142 157 L HN 0.739 nan 8.230 nan 0.000 0.473 158 R N 3.161 123.687 120.500 0.045 0.000 2.502 158 R HA 0.554 4.894 4.340 -0.000 0.000 0.298 158 R C -0.668 175.659 176.300 0.045 0.000 1.018 158 R CA -0.474 55.652 56.100 0.044 0.000 0.899 158 R CB 1.571 31.884 30.300 0.022 0.000 1.181 158 R HN 0.722 nan 8.270 nan 0.000 0.444 159 A N 3.843 126.704 122.820 0.068 0.000 2.445 159 A HA 0.342 4.662 4.320 -0.000 0.000 0.242 159 A C -0.534 177.072 177.584 0.036 0.000 1.075 159 A CA 0.112 52.180 52.037 0.051 0.000 0.777 159 A CB 0.482 19.521 19.000 0.065 0.000 1.013 159 A HN 0.730 nan 8.150 nan 0.000 0.493 160 K N 0.558 120.969 120.400 0.017 0.000 2.575 160 K HA 0.500 4.820 4.320 -0.000 0.000 0.255 160 K C -0.476 176.124 176.600 0.001 0.000 0.953 160 K CA -0.234 56.058 56.287 0.009 0.000 0.840 160 K CB 1.046 33.549 32.500 0.005 0.000 1.303 160 K HN 0.888 nan 8.250 nan 0.000 0.438 161 K N 1.145 121.544 120.400 -0.001 0.000 2.484 161 K HA 0.326 4.646 4.320 -0.000 0.000 0.280 161 K C 1.030 177.625 176.600 -0.008 0.000 1.013 161 K CA 0.872 57.155 56.287 -0.006 0.000 1.029 161 K CB -0.298 32.197 32.500 -0.007 0.000 0.902 161 K HN 1.136 nan 8.250 nan 0.000 0.481 162 G N 0.337 109.131 108.800 -0.010 0.000 2.234 162 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.235 162 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.235 162 G C 0.450 175.344 174.900 -0.011 0.000 0.997 162 G CA 0.341 45.435 45.100 -0.010 0.000 0.623 162 G HN 1.095 nan 8.290 nan 0.000 0.514 163 Q N 1.169 120.963 119.800 -0.010 0.000 2.348 163 Q HA 0.355 4.695 4.340 -0.000 0.000 0.251 163 Q C -0.098 175.893 176.000 -0.015 0.000 1.113 163 Q CA 0.055 55.851 55.803 -0.011 0.000 0.902 163 Q CB 0.222 28.955 28.738 -0.008 0.000 1.333 163 Q HN 0.300 nan 8.270 nan 0.000 0.457 164 D N 3.124 123.514 120.400 -0.017 0.000 2.340 164 D HA 0.076 4.715 4.640 -0.000 0.000 0.217 164 D C -0.870 175.414 176.300 -0.026 0.000 1.081 164 D CA 0.164 54.151 54.000 -0.021 0.000 0.842 164 D CB 0.410 41.198 40.800 -0.020 0.000 0.934 164 D HN 0.493 nan 8.370 nan 0.000 0.511 165 D N 0.916 121.302 120.400 -0.025 0.000 2.249 165 D HA 0.163 4.803 4.640 -0.000 0.000 0.246 165 D C 0.051 176.330 176.300 -0.036 0.000 1.114 165 D CA -0.191 53.792 54.000 -0.029 0.000 0.854 165 D CB 1.234 42.020 40.800 -0.023 0.000 1.132 165 D HN -0.256 nan 8.370 nan 0.000 0.461 166 K N 1.108 121.478 120.400 -0.050 0.000 2.298 166 K HA 0.428 4.747 4.320 -0.000 0.000 0.280 166 K C -0.675 175.889 176.600 -0.061 0.000 1.032 166 K CA -0.317 55.930 56.287 -0.068 0.000 0.958 166 K CB 1.025 33.468 32.500 -0.096 0.000 0.978 166 K HN 0.147 nan 8.250 nan 0.000 0.472 167 V N 3.883 123.762 119.914 -0.058 0.000 2.769 167 V HA 0.254 4.374 4.120 -0.000 0.000 0.312 167 V C -0.824 175.240 176.094 -0.050 0.000 1.061 167 V CA -1.143 61.132 62.300 -0.042 0.000 0.931 167 V CB 1.910 33.721 31.823 -0.021 0.000 1.010 167 V HN 0.571 nan 8.190 nan 0.000 0.433 168 L N 5.165 126.365 121.223 -0.038 0.000 2.410 168 L HA 0.338 4.678 4.340 -0.000 0.000 0.273 168 L C 0.701 177.566 176.870 -0.008 0.000 1.152 168 L CA 1.019 55.838 54.840 -0.035 0.000 0.855 168 L CB 1.353 43.401 42.059 -0.018 0.000 1.129 168 L HN 0.601 nan 8.230 nan 0.000 0.463 169 V N 1.696 121.609 119.914 -0.002 0.000 3.426 169 V HA 0.822 4.942 4.120 -0.000 0.000 0.271 169 V C 0.231 176.346 176.094 0.035 0.000 1.530 169 V CA 0.466 62.778 62.300 0.021 0.000 1.021 169 V CB -0.192 31.647 31.823 0.027 0.000 0.824 169 V HN 1.064 nan 8.190 nan 0.000 0.432 170 A N -0.333 122.508 122.820 0.035 0.000 2.594 170 A HA 0.768 5.088 4.320 -0.000 0.000 0.296 170 A C -0.600 177.093 177.584 0.183 0.000 1.061 170 A CA -0.024 52.079 52.037 0.111 0.000 0.689 170 A CB 1.511 20.593 19.000 0.136 0.000 1.280 170 A HN 0.227 nan 8.150 nan 0.000 0.406 171 T N 0.945 115.639 114.554 0.233 0.000 2.841 171 T HA 0.508 4.858 4.350 -0.000 0.000 0.285 171 T C -0.994 173.796 174.700 0.150 0.000 0.991 171 T CA -0.267 61.953 62.100 0.199 0.000 0.966 171 T CB 1.018 69.939 68.868 0.089 0.000 0.962 171 T HN 1.095 nan 8.240 nan 0.000 0.438 172 c N 4.012 122.687 118.600 0.125 0.000 2.322 172 c HA 0.786 5.356 4.570 -0.000 0.000 0.324 172 c C 0.022 173.926 174.090 -0.311 0.000 1.284 172 c CA -0.075 56.153 56.329 -0.168 0.000 1.606 172 c CB -0.406 41.835 42.510 -0.449 0.000 2.251 172 c HN 0.940 nan 8.230 nan 0.000 0.502 173 T N 3.883 118.078 114.554 -0.599 0.000 2.812 173 T HA 0.428 4.778 4.350 -0.000 0.000 0.282 173 T C -0.567 173.727 174.700 -0.676 0.000 0.990 173 T CA -0.201 61.447 62.100 -0.753 0.000 0.960 173 T CB 1.472 69.500 68.868 -1.400 0.000 0.948 173 T HN 0.668 nan 8.240 nan 0.000 0.438 174 S N 2.296 117.756 115.700 -0.401 0.000 2.601 174 S HA 0.675 5.145 4.470 -0.000 0.000 0.312 174 S C -0.171 174.319 174.600 -0.184 0.000 1.107 174 S CA -0.646 57.385 58.200 -0.282 0.000 1.129 174 S CB -0.128 62.963 63.200 -0.182 0.000 0.982 174 S HN 0.904 nan 8.310 nan 0.000 0.469 175 A N 4.167 126.911 122.820 -0.126 0.000 2.306 175 A HA 0.646 4.966 4.320 -0.000 0.000 0.314 175 A C 0.578 178.159 177.584 -0.005 0.000 1.164 175 A CA -0.641 51.387 52.037 -0.016 0.000 0.822 175 A CB 0.161 19.253 19.000 0.155 0.000 1.130 175 A HN 0.947 nan 8.150 nan 0.000 0.496 176 N N 0.027 118.731 118.700 0.006 0.000 2.716 176 N HA -0.160 4.580 4.740 -0.000 0.000 0.250 176 N C 0.351 175.848 175.510 -0.022 0.000 1.033 176 N CA 1.303 54.356 53.050 0.004 0.000 0.727 176 N CB -1.309 37.188 38.487 0.016 0.000 0.950 176 N HN 1.085 nan 8.380 nan 0.000 0.541 177 G N -0.179 108.601 108.800 -0.033 0.000 2.451 177 G HA2 0.578 4.538 3.960 -0.000 0.000 0.303 177 G HA3 0.578 4.538 3.960 -0.000 0.000 0.303 177 G C -0.224 174.702 174.900 0.043 0.000 1.166 177 G CA -0.444 44.620 45.100 -0.060 0.000 0.884 177 G HN 0.248 nan 8.290 nan 0.000 0.514 178 K N 1.818 122.288 120.400 0.117 0.000 2.606 178 K HA 0.290 4.609 4.320 -0.000 0.000 0.259 178 K C -2.843 173.930 176.600 0.290 0.000 1.001 178 K CA -1.291 55.100 56.287 0.173 0.000 0.881 178 K CB 2.853 35.415 32.500 0.103 0.000 1.288 178 K HN 0.327 nan 8.250 nan 0.000 0.452 179 P HA 0.174 nan 4.420 nan 0.000 0.274 179 P C -2.618 174.822 177.300 0.233 0.000 1.260 179 P CA -1.250 61.952 63.100 0.169 0.000 0.793 179 P CB -0.385 31.365 31.700 0.083 0.000 1.048 180 P HA -0.001 nan 4.420 nan 0.000 0.267 180 P C 0.379 177.784 177.300 0.175 0.000 1.200 180 P CA 0.403 63.578 63.100 0.125 0.000 0.772 180 P CB 0.084 31.825 31.700 0.068 0.000 0.855 181 S N 1.019 116.825 115.700 0.177 0.000 2.671 181 S HA 0.469 4.939 4.470 -0.000 0.000 0.272 181 S C -0.156 174.494 174.600 0.084 0.000 1.174 181 S CA -0.663 57.658 58.200 0.201 0.000 1.004 181 S CB 0.397 63.707 63.200 0.183 0.000 1.077 181 S HN 0.183 nan 8.310 nan 0.000 0.553 182 V N 1.389 121.340 119.914 0.061 0.000 2.409 182 V HA 0.461 4.581 4.120 -0.000 0.000 0.291 182 V C -0.489 175.610 176.094 0.008 0.000 1.020 182 V CA -0.663 61.644 62.300 0.011 0.000 0.848 182 V CB 1.303 33.121 31.823 -0.008 0.000 0.990 182 V HN 0.771 nan 8.190 nan 0.000 0.430 183 V N 4.643 124.565 119.914 0.013 0.000 2.532 183 V HA 0.877 4.997 4.120 -0.000 0.000 0.295 183 V C 0.165 176.313 176.094 0.091 0.000 1.041 183 V CA -0.070 62.245 62.300 0.025 0.000 0.926 183 V CB 1.885 33.745 31.823 0.061 0.000 0.992 183 V HN 1.072 nan 8.190 nan 0.000 0.457 184 S N 2.596 118.264 115.700 -0.054 0.000 2.587 184 S HA 0.687 5.157 4.470 -0.000 0.000 0.269 184 S C -1.961 172.522 174.600 -0.195 0.000 1.154 184 S CA -0.940 57.288 58.200 0.047 0.000 0.824 184 S CB 1.132 64.386 63.200 0.089 0.000 1.118 184 S HN 0.481 nan 8.310 nan 0.000 0.462 185 W N 0.663 122.042 121.300 0.131 0.000 2.647 185 W HA 0.745 5.404 4.660 -0.000 0.000 0.353 185 W C 0.042 176.564 176.519 0.005 0.000 1.080 185 W CA -0.377 56.985 57.345 0.028 0.000 1.208 185 W CB 1.395 30.836 29.460 -0.031 0.000 1.396 185 W HN 0.863 nan 8.180 nan 0.000 0.573 186 E N 1.835 122.150 120.200 0.190 0.000 2.373 186 E HA 0.440 4.790 4.350 -0.000 0.000 0.251 186 E C -1.167 175.469 176.600 0.060 0.000 0.923 186 E CA -0.104 56.354 56.400 0.096 0.000 0.798 186 E CB 1.454 31.177 29.700 0.039 0.000 1.303 186 E HN 0.361 nan 8.360 nan 0.000 0.412 187 T N 1.739 116.320 114.554 0.046 0.000 2.786 187 T HA 0.270 4.620 4.350 -0.000 0.000 0.316 187 T C -0.008 174.704 174.700 0.020 0.000 1.503 187 T CA -0.585 61.515 62.100 -0.000 0.000 1.019 187 T CB 1.071 69.885 68.868 -0.089 0.000 1.415 187 T HN 0.556 nan 8.240 nan 0.000 0.496 188 R N 1.899 122.405 120.500 0.008 0.000 2.334 188 R HA 0.402 4.742 4.340 -0.000 0.000 0.216 188 R C 0.649 176.964 176.300 0.024 0.000 0.905 188 R CA -0.354 55.757 56.100 0.019 0.000 1.064 188 R CB -0.353 29.952 30.300 0.010 0.000 1.046 188 R HN 0.372 nan 8.270 nan 0.000 0.508 189 L N 1.778 123.015 121.223 0.022 0.000 2.492 189 L HA 0.128 4.468 4.340 -0.000 0.000 0.280 189 L C 0.754 177.681 176.870 0.097 0.000 1.240 189 L CA 0.687 55.558 54.840 0.051 0.000 0.831 189 L CB 0.249 42.343 42.059 0.058 0.000 1.100 189 L HN 0.291 nan 8.230 nan 0.000 0.505 190 K N 2.119 122.566 120.400 0.078 0.000 2.606 190 K HA 0.601 4.921 4.320 -0.000 0.000 0.196 190 K C -0.146 176.458 176.600 0.007 0.000 1.048 190 K CA 0.088 56.409 56.287 0.056 0.000 1.017 190 K CB 0.790 33.304 32.500 0.022 0.000 1.413 190 K HN 0.830 nan 8.250 nan 0.000 0.568 191 G N -0.131 108.662 108.800 -0.011 0.000 2.932 191 G HA2 0.606 4.566 3.960 -0.000 0.000 0.283 191 G HA3 0.606 4.566 3.960 -0.000 0.000 0.283 191 G C -0.999 173.602 174.900 -0.499 0.000 1.336 191 G CA -0.535 44.381 45.100 -0.307 0.000 1.056 191 G HN 0.489 nan 8.290 nan 0.000 0.522 192 E N -0.361 119.480 120.200 -0.600 0.000 2.175 192 E HA 0.517 4.867 4.350 -0.000 0.000 0.278 192 E C -0.361 175.833 176.600 -0.677 0.000 0.969 192 E CA -0.519 55.605 56.400 -0.459 0.000 0.796 192 E CB 1.909 31.444 29.700 -0.275 0.000 1.104 192 E HN 0.528 nan 8.360 nan 0.000 0.395 193 A N 3.512 126.071 122.820 -0.436 0.000 2.288 193 A HA 0.283 4.603 4.320 -0.000 0.000 0.320 193 A C -0.306 177.126 177.584 -0.253 0.000 1.217 193 A CA -0.620 51.183 52.037 -0.390 0.000 0.840 193 A CB 0.795 19.707 19.000 -0.146 0.000 1.179 193 A HN 0.719 nan 8.150 nan 0.000 0.504 194 E N 2.195 122.213 120.200 -0.302 0.000 2.222 194 E HA 0.602 4.952 4.350 -0.000 0.000 0.272 194 E C -1.732 174.671 176.600 -0.328 0.000 0.982 194 E CA -0.383 55.918 56.400 -0.165 0.000 0.842 194 E CB 0.956 30.604 29.700 -0.087 0.000 1.144 194 E HN 0.610 nan 8.360 nan 0.000 0.397 195 Y N 1.036 121.379 120.300 0.072 0.000 2.462 195 Y HA 0.307 4.857 4.550 -0.000 0.000 0.346 195 Y C -0.103 175.823 175.900 0.043 0.000 0.976 195 Y CA -0.856 57.289 58.100 0.074 0.000 1.044 195 Y CB 2.251 40.756 38.460 0.074 0.000 1.230 195 Y HN 0.481 nan 8.280 nan 0.000 0.455 196 Q N 2.286 122.187 119.800 0.168 0.000 2.347 196 Q HA 0.425 4.765 4.340 -0.000 0.000 0.271 196 Q C -1.682 174.369 176.000 0.085 0.000 1.064 196 Q CA -0.740 55.123 55.803 0.100 0.000 0.800 196 Q CB 1.951 30.723 28.738 0.055 0.000 1.304 196 Q HN 0.751 nan 8.270 nan 0.000 0.438 197 E N 4.195 124.435 120.200 0.066 0.000 2.218 197 E HA 0.410 4.760 4.350 -0.000 0.000 0.263 197 E C -1.017 175.605 176.600 0.035 0.000 0.879 197 E CA -0.497 55.932 56.400 0.049 0.000 0.762 197 E CB 1.890 31.618 29.700 0.047 0.000 1.166 197 E HN 0.522 nan 8.360 nan 0.000 0.415 198 I N 2.764 123.351 120.570 0.028 0.000 2.355 198 I HA 0.289 4.458 4.170 -0.000 0.000 0.288 198 I C 0.160 176.291 176.117 0.024 0.000 0.999 198 I CA -0.591 60.724 61.300 0.025 0.000 1.163 198 I CB 1.307 39.321 38.000 0.023 0.000 1.316 198 I HN 0.208 nan 8.210 nan 0.000 0.454 199 R N 6.188 126.702 120.500 0.024 0.000 2.248 199 R HA 0.253 4.593 4.340 -0.000 0.000 0.328 199 R C -0.426 175.887 176.300 0.022 0.000 1.067 199 R CA -0.446 55.668 56.100 0.024 0.000 0.924 199 R CB 0.386 30.700 30.300 0.022 0.000 1.013 199 R HN 0.586 nan 8.270 nan 0.000 0.454 200 N N 4.914 123.628 118.700 0.023 0.000 2.483 200 N HA 0.104 4.844 4.740 -0.000 0.000 0.269 200 N C -1.826 173.696 175.510 0.019 0.000 1.209 200 N CA -1.492 51.571 53.050 0.022 0.000 0.969 200 N CB 0.911 39.412 38.487 0.024 0.000 1.173 200 N HN 0.385 nan 8.380 nan 0.000 0.475 201 P HA -0.169 nan 4.420 nan 0.000 0.216 201 P C 0.768 178.077 177.300 0.014 0.000 1.154 201 P CA 1.521 64.629 63.100 0.014 0.000 0.865 201 P CB 0.080 31.788 31.700 0.013 0.000 0.789 202 N N -1.513 117.197 118.700 0.016 0.000 2.521 202 N HA 0.019 4.759 4.740 -0.000 0.000 0.188 202 N C 1.313 176.835 175.510 0.020 0.000 1.146 202 N CA 1.296 54.356 53.050 0.017 0.000 0.893 202 N CB -0.856 37.641 38.487 0.017 0.000 0.975 202 N HN 0.274 nan 8.380 nan 0.000 0.451 203 G N -0.938 107.875 108.800 0.021 0.000 2.254 203 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.225 203 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.225 203 G C 0.393 175.312 174.900 0.031 0.000 1.003 203 G CA 0.401 45.516 45.100 0.025 0.000 0.622 203 G HN 0.827 nan 8.290 nan 0.000 0.507 204 T N -1.220 113.353 114.554 0.031 0.000 2.680 204 T HA 0.522 4.872 4.350 -0.000 0.000 0.314 204 T C 0.110 174.830 174.700 0.032 0.000 1.045 204 T CA 0.412 62.533 62.100 0.035 0.000 1.025 204 T CB 2.050 70.934 68.868 0.028 0.000 1.000 204 T HN 1.076 nan 8.240 nan 0.000 0.535 205 V N 0.921 120.855 119.914 0.033 0.000 2.623 205 V HA 0.412 4.532 4.120 -0.000 0.000 0.304 205 V C 0.030 176.134 176.094 0.018 0.000 1.054 205 V CA -0.896 61.422 62.300 0.029 0.000 0.882 205 V CB 2.165 34.010 31.823 0.038 0.000 1.002 205 V HN 1.166 nan 8.190 nan 0.000 0.424 206 T N 4.440 119.000 114.554 0.011 0.000 2.799 206 T HA 0.567 4.917 4.350 -0.000 0.000 0.286 206 T C -0.269 174.425 174.700 -0.010 0.000 0.973 206 T CA -0.260 61.835 62.100 -0.009 0.000 1.035 206 T CB 1.448 70.313 68.868 -0.005 0.000 0.932 206 T HN 0.361 nan 8.240 nan 0.000 0.469 207 V N 5.354 125.249 119.914 -0.031 0.000 2.417 207 V HA 0.534 4.654 4.120 -0.000 0.000 0.291 207 V C -0.209 175.859 176.094 -0.042 0.000 1.024 207 V CA -0.733 61.565 62.300 -0.003 0.000 0.861 207 V CB 1.276 33.109 31.823 0.018 0.000 0.985 207 V HN 0.771 nan 8.190 nan 0.000 0.436 208 I N 3.466 124.036 120.570 0.000 0.000 2.498 208 I HA 0.501 4.671 4.170 -0.000 0.000 0.290 208 I C -0.228 175.904 176.117 0.024 0.000 1.032 208 I CA -0.262 61.016 61.300 -0.037 0.000 1.073 208 I CB 2.180 40.155 38.000 -0.041 0.000 1.251 208 I HN 0.580 nan 8.210 nan 0.000 0.426 209 S N 5.988 121.700 115.700 0.019 0.000 2.502 209 S HA 0.593 5.063 4.470 -0.000 0.000 0.304 209 S C -0.702 173.998 174.600 0.167 0.000 1.097 209 S CA -0.656 57.551 58.200 0.012 0.000 1.045 209 S CB 1.093 64.316 63.200 0.039 0.000 1.019 209 S HN 0.563 nan 8.310 nan 0.000 0.481 210 R N 2.816 123.328 120.500 0.019 0.000 2.387 210 R HA 0.346 4.686 4.340 -0.000 0.000 0.314 210 R C -1.658 174.558 176.300 -0.139 0.000 0.958 210 R CA -0.551 55.553 56.100 0.006 0.000 0.846 210 R CB 1.412 31.688 30.300 -0.040 0.000 1.147 210 R HN 0.675 nan 8.270 nan 0.000 0.447 211 Y N 3.346 123.418 120.300 -0.380 0.000 2.342 211 Y HA 0.371 4.921 4.550 -0.000 0.000 0.338 211 Y C -0.410 175.262 175.900 -0.380 0.000 0.965 211 Y CA -0.450 57.257 58.100 -0.655 0.000 1.159 211 Y CB 0.863 38.483 38.460 -1.401 0.000 1.157 211 Y HN 0.365 nan 8.280 nan 0.000 0.486 212 R N 6.632 126.794 120.500 -0.563 0.000 2.670 212 R HA 0.789 5.129 4.340 -0.000 0.000 0.289 212 R C -1.533 174.560 176.300 -0.345 0.000 0.965 212 R CA -1.067 54.842 56.100 -0.318 0.000 0.899 212 R CB 2.122 32.275 30.300 -0.245 0.000 1.173 212 R HN 0.759 nan 8.270 nan 0.000 0.456 213 L N -1.917 119.208 121.223 -0.164 0.000 2.600 213 L HA 0.633 4.973 4.340 -0.000 0.000 0.257 213 L C -1.177 175.654 176.870 -0.066 0.000 1.048 213 L CA -1.207 53.562 54.840 -0.118 0.000 0.869 213 L CB 1.772 43.803 42.059 -0.048 0.000 1.482 213 L HN 0.331 nan 8.230 nan 0.000 0.408 214 V N 2.157 122.040 119.914 -0.052 0.000 2.385 214 V HA 0.514 4.634 4.120 -0.000 0.000 0.269 214 V C -2.118 173.967 176.094 -0.016 0.000 1.043 214 V CA -1.566 60.715 62.300 -0.032 0.000 0.906 214 V CB 0.637 32.440 31.823 -0.033 0.000 0.995 214 V HN 0.759 nan 8.190 nan 0.000 0.467 215 P HA 0.266 nan 4.420 nan 0.000 0.267 215 P C -0.873 176.431 177.300 0.006 0.000 1.205 215 P CA 0.314 63.422 63.100 0.014 0.000 0.765 215 P CB 0.635 32.351 31.700 0.028 0.000 0.828 216 S N 1.501 117.200 115.700 -0.002 0.000 2.588 216 S HA 0.509 4.978 4.470 -0.000 0.000 0.275 216 S C 0.829 175.369 174.600 -0.100 0.000 1.130 216 S CA -0.867 57.309 58.200 -0.039 0.000 0.855 216 S CB 2.112 65.286 63.200 -0.043 0.000 1.116 216 S HN 0.283 nan 8.310 nan 0.000 0.472 217 R N 1.918 122.288 120.500 -0.217 0.000 2.094 217 R HA -0.178 4.162 4.340 -0.000 0.000 0.239 217 R C 1.874 177.974 176.300 -0.332 0.000 1.137 217 R CA 2.659 58.435 56.100 -0.540 0.000 0.943 217 R CB -1.114 28.809 30.300 -0.629 0.000 0.850 217 R HN 0.843 nan 8.270 nan 0.000 0.433 218 E N 0.493 120.587 120.200 -0.178 0.000 2.160 218 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 218 E C 1.808 178.382 176.600 -0.043 0.000 0.991 218 E CA 1.475 57.818 56.400 -0.095 0.000 0.810 218 E CB -0.642 29.020 29.700 -0.063 0.000 0.742 218 E HN 0.507 nan 8.360 nan 0.000 0.466 219 A N 1.976 124.780 122.820 -0.028 0.000 2.121 219 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 219 A C 1.383 178.990 177.584 0.038 0.000 1.154 219 A CA 0.474 52.514 52.037 0.006 0.000 0.679 219 A CB -0.892 18.118 19.000 0.017 0.000 0.795 219 A HN 0.423 nan 8.150 nan 0.000 0.458 220 H N -0.279 118.768 119.070 -0.038 0.000 2.871 220 H HA 0.034 4.590 4.556 -0.000 0.000 0.355 220 H C 0.392 175.735 175.328 0.025 0.000 1.092 220 H CA 1.192 57.255 56.048 0.025 0.000 1.420 220 H CB 0.235 30.051 29.762 0.090 0.000 1.400 220 H HN 0.522 nan 8.280 nan 0.000 0.604 221 Q N 0.240 119.630 119.800 -0.684 0.000 2.264 221 Q HA -0.257 4.083 4.340 -0.000 0.000 0.207 221 Q C -0.209 175.690 176.000 -0.169 0.000 0.702 221 Q CA 0.944 56.491 55.803 -0.427 0.000 1.411 221 Q CB -0.413 28.120 28.738 -0.341 0.000 1.717 221 Q HN 0.661 nan 8.270 nan 0.000 0.683 222 Q N 0.886 120.619 119.800 -0.112 0.000 2.352 222 Q HA 0.228 4.568 4.340 -0.000 0.000 0.260 222 Q C 0.282 176.248 176.000 -0.058 0.000 0.976 222 Q CA 0.375 56.141 55.803 -0.062 0.000 0.881 222 Q CB 1.292 30.007 28.738 -0.038 0.000 1.235 222 Q HN 0.327 nan 8.270 nan 0.000 0.419 223 S N 1.747 117.420 115.700 -0.044 0.000 2.586 223 S HA 0.604 5.074 4.470 -0.000 0.000 0.274 223 S C -0.428 174.148 174.600 -0.040 0.000 1.281 223 S CA -0.838 57.340 58.200 -0.037 0.000 1.035 223 S CB 1.053 64.236 63.200 -0.029 0.000 0.962 223 S HN 0.427 nan 8.310 nan 0.000 0.512 224 L N 2.101 123.306 121.223 -0.029 0.000 2.441 224 L HA 0.780 5.120 4.340 -0.000 0.000 0.270 224 L C -0.717 176.192 176.870 0.065 0.000 0.973 224 L CA -0.455 54.364 54.840 -0.036 0.000 0.842 224 L CB 1.330 43.320 42.059 -0.115 0.000 1.239 224 L HN 1.022 nan 8.230 nan 0.000 0.406 225 A N 4.396 127.274 122.820 0.097 0.000 2.319 225 A HA 0.657 4.977 4.320 -0.000 0.000 0.310 225 A C -0.176 177.428 177.584 0.032 0.000 1.152 225 A CA -0.380 51.689 52.037 0.052 0.000 0.783 225 A CB 0.680 19.674 19.000 -0.011 0.000 1.184 225 A HN 1.046 nan 8.150 nan 0.000 0.474 226 c N 3.508 122.021 118.600 -0.145 0.000 2.466 226 c HA 0.834 5.404 4.570 -0.000 0.000 0.379 226 c C -0.257 173.677 174.090 -0.260 0.000 1.251 226 c CA -0.680 55.318 56.329 -0.552 0.000 2.263 226 c CB -0.542 41.392 42.510 -0.960 0.000 2.511 226 c HN 0.618 nan 8.230 nan 0.000 0.573 227 I N 5.237 125.655 120.570 -0.254 0.000 2.466 227 I HA 0.486 4.656 4.170 -0.000 0.000 0.289 227 I C -0.185 175.915 176.117 -0.029 0.000 1.026 227 I CA -0.282 60.970 61.300 -0.079 0.000 1.078 227 I CB 1.421 39.385 38.000 -0.061 0.000 1.249 227 I HN 0.818 nan 8.210 nan 0.000 0.429 228 V N 6.228 126.211 119.914 0.116 0.000 2.444 228 V HA 0.568 4.688 4.120 -0.000 0.000 0.294 228 V C -0.779 175.385 176.094 0.117 0.000 1.022 228 V CA -0.439 61.908 62.300 0.078 0.000 0.850 228 V CB 1.761 33.592 31.823 0.013 0.000 0.992 228 V HN 0.795 nan 8.190 nan 0.000 0.426 229 N N 5.417 124.168 118.700 0.086 0.000 2.425 229 N HA 0.510 5.250 4.740 -0.000 0.000 0.268 229 N C -1.695 173.906 175.510 0.152 0.000 0.991 229 N CA -0.405 52.702 53.050 0.094 0.000 0.931 229 N CB 1.503 40.015 38.487 0.041 0.000 1.130 229 N HN 0.857 nan 8.380 nan 0.000 0.493 230 Y N 2.701 123.032 120.300 0.051 0.000 2.326 230 Y HA 0.191 4.741 4.550 -0.000 0.000 0.329 230 Y C 0.164 176.153 175.900 0.148 0.000 0.973 230 Y CA -0.670 57.483 58.100 0.087 0.000 1.162 230 Y CB 0.272 38.781 38.460 0.082 0.000 1.147 230 Y HN 0.720 nan 8.280 nan 0.000 0.456 231 H N 7.626 126.400 119.070 -0.493 0.000 2.626 231 H HA -0.267 4.289 4.556 0.000 0.000 0.317 231 H C 0.321 175.588 175.328 -0.101 0.000 1.140 231 H CA 1.150 56.989 56.048 -0.348 0.000 1.134 231 H CB -0.278 29.204 29.762 -0.466 0.000 1.486 231 H HN 1.077 nan 8.280 nan 0.000 0.417 232 M N -0.913 118.600 119.600 -0.145 0.000 2.949 232 M HA -0.211 4.269 4.480 -0.000 0.000 0.194 232 M C -0.319 175.932 176.300 -0.081 0.000 0.618 232 M CA 1.713 56.928 55.300 -0.141 0.000 0.742 232 M CB -0.938 31.529 32.600 -0.223 0.000 2.662 232 M HN 0.463 nan 8.290 nan 0.000 0.291 233 D N 1.022 121.409 120.400 -0.022 0.000 2.382 233 D HA 0.341 4.981 4.640 -0.000 0.000 0.245 233 D C 0.365 176.711 176.300 0.077 0.000 1.120 233 D CA 0.024 54.054 54.000 0.050 0.000 0.890 233 D CB 0.630 41.510 40.800 0.133 0.000 1.201 233 D HN 0.273 nan 8.370 nan 0.000 0.433 234 R N 2.754 123.294 120.500 0.066 0.000 2.388 234 R HA 0.256 4.596 4.340 -0.000 0.000 0.314 234 R C -1.289 175.073 176.300 0.103 0.000 0.959 234 R CA -0.683 55.460 56.100 0.071 0.000 0.851 234 R CB 0.452 30.764 30.300 0.019 0.000 1.168 234 R HN 0.295 nan 8.270 nan 0.000 0.472 235 F N 3.958 123.902 119.950 -0.010 0.000 2.399 235 F HA 0.476 5.004 4.527 0.000 0.000 0.334 235 F C -0.837 174.939 175.800 -0.040 0.000 1.097 235 F CA -0.315 57.673 58.000 -0.019 0.000 1.076 235 F CB 1.046 40.036 39.000 -0.017 0.000 1.162 235 F HN 0.399 nan 8.300 nan 0.000 0.495 236 K N 5.131 124.974 120.400 -0.928 0.000 2.535 236 K HA 0.359 4.679 4.320 -0.000 0.000 0.251 236 K C -1.965 174.132 176.600 -0.840 0.000 0.942 236 K CA -0.562 55.324 56.287 -0.669 0.000 0.798 236 K CB 1.647 33.963 32.500 -0.308 0.000 1.267 236 K HN 0.857 nan 8.250 nan 0.000 0.434 237 E N 2.459 122.353 120.200 -0.510 0.000 2.290 237 E HA 0.338 4.688 4.350 -0.000 0.000 0.274 237 E C -1.552 174.997 176.600 -0.084 0.000 0.889 237 E CA -0.671 55.570 56.400 -0.265 0.000 0.760 237 E CB 1.972 31.624 29.700 -0.080 0.000 1.206 237 E HN 0.646 nan 8.360 nan 0.000 0.419 238 S N 3.418 119.088 115.700 -0.050 0.000 2.537 238 S HA 0.590 5.060 4.470 -0.000 0.000 0.301 238 S C -0.432 174.182 174.600 0.024 0.000 1.092 238 S CA -0.733 57.462 58.200 -0.008 0.000 1.048 238 S CB 1.131 64.315 63.200 -0.028 0.000 1.053 238 S HN 0.443 nan 8.310 nan 0.000 0.501 239 L N 1.183 122.430 121.223 0.039 0.000 2.303 239 L HA 0.635 4.975 4.340 -0.000 0.000 0.266 239 L C -0.399 176.476 176.870 0.008 0.000 1.011 239 L CA -0.601 54.261 54.840 0.037 0.000 0.818 239 L CB 2.378 44.475 42.059 0.063 0.000 1.326 239 L HN 0.563 nan 8.230 nan 0.000 0.435 240 T N 2.422 116.975 114.554 -0.002 0.000 2.809 240 T HA 0.464 4.814 4.350 -0.000 0.000 0.284 240 T C -0.175 174.506 174.700 -0.033 0.000 0.992 240 T CA -0.477 61.605 62.100 -0.031 0.000 0.957 240 T CB 1.007 69.849 68.868 -0.044 0.000 0.942 240 T HN 0.242 nan 8.240 nan 0.000 0.439 241 L N 3.510 124.706 121.223 -0.045 0.000 2.456 241 L HA 0.327 4.667 4.340 -0.000 0.000 0.272 241 L C 0.683 177.534 176.870 -0.031 0.000 1.189 241 L CA -0.401 54.428 54.840 -0.019 0.000 0.846 241 L CB 0.272 42.329 42.059 -0.004 0.000 1.111 241 L HN 0.515 nan 8.230 nan 0.000 0.475 242 N N 2.370 121.107 118.700 0.061 0.000 2.564 242 N HA 0.326 5.066 4.740 -0.000 0.000 0.248 242 N C -1.302 174.362 175.510 0.257 0.000 0.986 242 N CA -0.281 52.876 53.050 0.178 0.000 0.921 242 N CB 1.333 39.901 38.487 0.134 0.000 1.136 242 N HN 0.217 nan 8.380 nan 0.000 0.509 243 V N 3.532 123.727 119.914 0.469 0.000 2.384 243 V HA 0.368 4.488 4.120 -0.000 0.000 0.287 243 V C 0.214 176.458 176.094 0.250 0.000 1.020 243 V CA -0.795 61.682 62.300 0.295 0.000 0.850 243 V CB 1.502 33.474 31.823 0.248 0.000 0.987 243 V HN 0.513 nan 8.190 nan 0.000 0.436 244 Q N 3.872 123.744 119.800 0.121 0.000 2.299 244 Q HA 0.611 4.951 4.340 -0.000 0.000 0.246 244 Q C -1.237 174.824 176.000 0.103 0.000 0.935 244 Q CA -0.307 55.486 55.803 -0.017 0.000 0.887 244 Q CB 1.447 30.155 28.738 -0.051 0.000 1.223 244 Q HN 0.818 nan 8.270 nan 0.000 0.439 245 Y N -3.689 116.552 120.300 -0.098 0.000 2.558 245 Y HA 0.555 5.105 4.550 -0.000 0.000 0.333 245 Y C -0.401 175.452 175.900 -0.077 0.000 1.125 245 Y CA -1.368 56.685 58.100 -0.077 0.000 1.039 245 Y CB 0.097 38.511 38.460 -0.076 0.000 1.331 245 Y HN 0.595 nan 8.280 nan 0.000 0.456 246 E N 1.706 121.943 120.200 0.061 0.000 2.437 246 E HA 0.374 4.723 4.350 -0.000 0.000 0.263 246 E C -2.881 173.740 176.600 0.035 0.000 1.030 246 E CA -1.719 54.679 56.400 -0.002 0.000 0.934 246 E CB -0.785 28.918 29.700 0.004 0.000 0.943 246 E HN 0.553 nan 8.360 nan 0.000 0.444 247 P HA 0.406 nan 4.420 nan 0.000 0.269 247 P C -0.469 176.848 177.300 0.029 0.000 1.209 247 P CA 0.632 63.717 63.100 -0.025 0.000 0.776 247 P CB 0.777 32.415 31.700 -0.103 0.000 0.876 248 E N 2.256 122.495 120.200 0.065 0.000 2.114 248 E HA 0.465 4.815 4.350 -0.000 0.000 0.266 248 E C -0.700 175.915 176.600 0.025 0.000 0.896 248 E CA -0.742 55.684 56.400 0.042 0.000 0.750 248 E CB 0.615 30.347 29.700 0.054 0.000 1.121 248 E HN 0.304 nan 8.360 nan 0.000 0.413 249 V N 2.391 122.304 119.914 -0.001 0.000 2.481 249 V HA 0.737 4.857 4.120 -0.000 0.000 0.286 249 V C 0.357 176.454 176.094 0.005 0.000 1.042 249 V CA -0.515 61.781 62.300 -0.008 0.000 0.928 249 V CB 1.591 33.385 31.823 -0.048 0.000 0.986 249 V HN 0.835 nan 8.190 nan 0.000 0.462 250 T N 5.232 119.800 114.554 0.023 0.000 2.900 250 T HA 0.710 5.060 4.350 -0.000 0.000 0.295 250 T C -0.614 174.118 174.700 0.054 0.000 1.044 250 T CA -0.335 61.785 62.100 0.033 0.000 0.995 250 T CB 1.734 70.627 68.868 0.041 0.000 1.072 250 T HN 0.406 nan 8.240 nan 0.000 0.473 251 I N 2.262 122.870 120.570 0.064 0.000 2.436 251 I HA 0.442 4.612 4.170 -0.000 0.000 0.289 251 I C 0.246 176.430 176.117 0.111 0.000 1.010 251 I CA -0.655 60.715 61.300 0.117 0.000 1.098 251 I CB 1.992 40.085 38.000 0.156 0.000 1.266 251 I HN 0.643 nan 8.210 nan 0.000 0.434 252 E N 2.887 123.165 120.200 0.131 0.000 2.754 252 E HA 0.605 4.955 4.350 -0.000 0.000 0.224 252 E C 0.937 177.622 176.600 0.143 0.000 0.851 252 E CA -0.441 56.028 56.400 0.115 0.000 1.047 252 E CB 0.734 30.487 29.700 0.087 0.000 1.584 252 E HN 0.750 nan 8.360 nan 0.000 0.429 253 G N 0.363 109.232 108.800 0.116 0.000 2.220 253 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.269 253 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.269 253 G C -0.011 174.969 174.900 0.134 0.000 0.977 253 G CA 0.715 45.888 45.100 0.122 0.000 0.634 253 G HN 0.329 nan 8.290 nan 0.000 0.539 254 F N 1.873 121.777 119.950 -0.078 0.000 2.429 254 F HA 0.569 5.096 4.527 -0.000 0.000 0.348 254 F C 0.254 175.844 175.800 -0.351 0.000 1.109 254 F CA -0.183 57.615 58.000 -0.336 0.000 1.232 254 F CB 1.107 39.920 39.000 -0.311 0.000 1.157 254 F HN 0.095 nan 8.300 nan 0.000 0.564 255 D N 3.032 122.509 120.400 -1.538 0.000 2.481 255 D HA 0.336 4.976 4.640 -0.000 0.000 0.244 255 D C 0.966 176.562 176.300 -1.173 0.000 1.057 255 D CA -0.080 53.344 54.000 -0.960 0.000 0.848 255 D CB 1.922 42.402 40.800 -0.533 0.000 1.388 255 D HN 0.641 nan 8.370 nan 0.000 0.475 256 G N 3.017 111.556 108.800 -0.436 0.000 2.513 256 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 256 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 256 G C 0.590 175.363 174.900 -0.213 0.000 1.160 256 G CA 1.193 46.175 45.100 -0.195 0.000 0.767 256 G HN 0.705 nan 8.290 nan 0.000 0.571 257 N N -1.817 116.789 118.700 -0.156 0.000 2.400 257 N HA 0.403 5.143 4.740 -0.000 0.000 0.288 257 N C -1.688 173.902 175.510 0.133 0.000 1.024 257 N CA -0.913 52.149 53.050 0.021 0.000 0.894 257 N CB 1.290 39.859 38.487 0.137 0.000 1.173 257 N HN 0.117 nan 8.380 nan 0.000 0.487 258 W N 3.191 124.444 121.300 -0.079 0.000 2.830 258 W HA 0.389 5.049 4.660 -0.000 0.000 0.335 258 W C -0.814 175.708 176.519 0.006 0.000 1.043 258 W CA -1.275 55.971 57.345 -0.165 0.000 1.239 258 W CB 0.572 29.887 29.460 -0.241 0.000 1.378 258 W HN 0.487 nan 8.180 nan 0.000 0.456 259 Y N 2.235 122.557 120.300 0.037 0.000 2.296 259 Y HA 0.364 4.914 4.550 -0.000 0.000 0.343 259 Y C 1.571 177.454 175.900 -0.028 0.000 1.292 259 Y CA -1.300 56.800 58.100 0.001 0.000 1.490 259 Y CB 0.226 38.670 38.460 -0.027 0.000 1.359 259 Y HN 0.223 nan 8.280 nan 0.000 0.599 260 L N 1.982 123.324 121.223 0.197 0.000 2.601 260 L HA 0.013 4.353 4.340 -0.000 0.000 0.277 260 L C 0.826 177.790 176.870 0.156 0.000 1.219 260 L CA 0.382 55.315 54.840 0.155 0.000 0.915 260 L CB -1.338 40.820 42.059 0.165 0.000 1.160 260 L HN 0.973 nan 8.230 nan 0.000 0.494 261 Q N 0.463 120.303 119.800 0.067 0.000 2.475 261 Q HA -0.127 4.213 4.340 -0.000 0.000 0.280 261 Q C 0.195 176.236 176.000 0.069 0.000 1.234 261 Q CA 1.895 57.721 55.803 0.038 0.000 0.873 261 Q CB -2.088 26.678 28.738 0.048 0.000 1.256 261 Q HN 2.272 nan 8.270 nan 0.000 0.475 262 R N 0.569 121.071 120.500 0.004 0.000 2.694 262 R HA 0.563 4.903 4.340 -0.000 0.000 0.268 262 R C 0.332 176.513 176.300 -0.199 0.000 1.061 262 R CA 0.523 56.530 56.100 -0.155 0.000 1.133 262 R CB -0.060 29.791 30.300 -0.748 0.000 1.020 262 R HN 0.358 nan 8.270 nan 0.000 0.475 263 M N 1.075 120.582 119.600 -0.156 0.000 2.238 263 M HA 0.386 4.866 4.480 -0.000 0.000 0.347 263 M C 1.070 177.254 176.300 -0.194 0.000 1.173 263 M CA 0.531 55.750 55.300 -0.134 0.000 1.147 263 M CB -0.330 32.225 32.600 -0.076 0.000 1.547 263 M HN 1.214 nan 8.290 nan 0.000 0.455 264 D N -0.031 120.276 120.400 -0.154 0.000 2.723 264 D HA -0.012 4.628 4.640 -0.000 0.000 0.236 264 D C -0.418 175.796 176.300 -0.142 0.000 1.138 264 D CA 0.679 54.605 54.000 -0.123 0.000 0.676 264 D CB -1.774 38.970 40.800 -0.093 0.000 1.069 264 D HN 0.716 nan 8.370 nan 0.000 0.430 265 V N -1.248 118.561 119.914 -0.174 0.000 2.435 265 V HA 0.854 4.974 4.120 -0.000 0.000 0.290 265 V C 0.542 176.555 176.094 -0.134 0.000 1.030 265 V CA 0.319 62.504 62.300 -0.191 0.000 0.881 265 V CB 1.245 32.781 31.823 -0.478 0.000 0.983 265 V HN 1.165 nan 8.190 nan 0.000 0.445 266 K N 5.758 126.109 120.400 -0.081 0.000 2.166 266 K HA 0.882 5.202 4.320 -0.000 0.000 0.245 266 K C -1.169 175.393 176.600 -0.063 0.000 0.967 266 K CA -0.560 55.618 56.287 -0.180 0.000 0.863 266 K CB 1.562 33.971 32.500 -0.152 0.000 1.107 266 K HN 0.725 nan 8.250 nan 0.000 0.436 267 L N 0.903 121.985 121.223 -0.236 0.000 2.346 267 L HA 0.691 5.031 4.340 -0.000 0.000 0.274 267 L C 0.000 176.838 176.870 -0.053 0.000 1.007 267 L CA -1.025 53.772 54.840 -0.071 0.000 0.818 267 L CB 2.610 44.609 42.059 -0.100 0.000 1.284 267 L HN 0.841 nan 8.230 nan 0.000 0.424 268 T N 1.085 115.710 114.554 0.118 0.000 2.881 268 T HA 0.254 4.604 4.350 -0.000 0.000 0.290 268 T C -1.063 173.793 174.700 0.260 0.000 1.000 268 T CA -0.393 61.804 62.100 0.162 0.000 0.978 268 T CB 1.092 69.999 68.868 0.065 0.000 0.997 268 T HN 0.688 nan 8.240 nan 0.000 0.443 269 c N 5.445 124.234 118.600 0.315 0.000 2.184 269 c HA 0.834 5.404 4.570 -0.000 0.000 0.328 269 c C 0.577 174.760 174.090 0.155 0.000 1.081 269 c CA -0.553 55.902 56.329 0.211 0.000 1.533 269 c CB -1.963 40.590 42.510 0.072 0.000 1.905 269 c HN 1.050 nan 8.230 nan 0.000 0.439 270 K N 3.669 124.143 120.400 0.122 0.000 2.310 270 K HA 0.683 5.003 4.320 -0.000 0.000 0.290 270 K C 0.051 176.723 176.600 0.120 0.000 1.077 270 K CA 0.389 56.743 56.287 0.112 0.000 0.922 270 K CB 0.781 33.329 32.500 0.080 0.000 1.057 270 K HN 1.406 nan 8.250 nan 0.000 0.479 271 A N 3.057 125.979 122.820 0.171 0.000 2.256 271 A HA 0.464 4.783 4.320 -0.000 0.000 0.317 271 A C -0.503 177.126 177.584 0.075 0.000 1.318 271 A CA -0.500 51.598 52.037 0.102 0.000 0.894 271 A CB 0.359 19.392 19.000 0.056 0.000 1.165 271 A HN 0.789 nan 8.150 nan 0.000 0.525 272 D N 2.621 123.065 120.400 0.075 0.000 2.342 272 D HA 0.497 5.137 4.640 -0.000 0.000 0.260 272 D C -0.013 176.346 176.300 0.098 0.000 1.278 272 D CA 0.835 54.898 54.000 0.107 0.000 0.910 272 D CB 0.528 41.413 40.800 0.141 0.000 1.079 272 D HN 0.710 nan 8.370 nan 0.000 0.496 273 A N 3.698 126.482 122.820 -0.060 0.000 2.594 273 A HA 0.613 4.933 4.320 -0.000 0.000 0.295 273 A C -1.214 176.005 177.584 -0.607 0.000 1.071 273 A CA -0.940 50.877 52.037 -0.368 0.000 0.685 273 A CB 1.733 20.588 19.000 -0.242 0.000 1.285 273 A HN 0.506 nan 8.150 nan 0.000 0.405 274 N N 1.377 119.447 118.700 -1.050 0.000 2.478 274 N HA 0.556 5.296 4.740 -0.000 0.000 0.291 274 N C -3.227 171.981 175.510 -0.503 0.000 1.090 274 N CA -1.611 51.003 53.050 -0.727 0.000 0.911 274 N CB 2.953 40.923 38.487 -0.861 0.000 1.546 274 N HN 0.333 nan 8.380 nan 0.000 0.500 275 P HA 0.238 nan 4.420 nan 0.000 0.271 275 P C -2.634 174.547 177.300 -0.199 0.000 1.244 275 P CA -0.781 62.203 63.100 -0.193 0.000 0.793 275 P CB -0.506 31.128 31.700 -0.111 0.000 0.984 276 P HA 0.041 nan 4.420 nan 0.000 0.268 276 P C -0.316 176.936 177.300 -0.081 0.000 1.208 276 P CA 0.335 63.384 63.100 -0.084 0.000 0.777 276 P CB 0.066 31.754 31.700 -0.020 0.000 0.875 277 A N 1.910 124.684 122.820 -0.078 0.000 2.440 277 A HA 0.326 4.645 4.320 -0.000 0.000 0.251 277 A C 1.142 178.696 177.584 -0.050 0.000 1.089 277 A CA 0.428 52.370 52.037 -0.157 0.000 0.779 277 A CB -0.483 18.294 19.000 -0.371 0.000 1.022 277 A HN 0.646 nan 8.150 nan 0.000 0.492 278 T N -0.530 113.975 114.554 -0.081 0.000 3.001 278 T HA 0.283 4.633 4.350 -0.000 0.000 0.251 278 T C 0.252 174.985 174.700 0.055 0.000 1.040 278 T CA 0.304 62.419 62.100 0.024 0.000 0.985 278 T CB 0.041 68.909 68.868 -0.001 0.000 1.011 278 T HN 0.690 nan 8.240 nan 0.000 0.509 279 E N 0.360 120.505 120.200 -0.090 0.000 2.275 279 E HA 0.483 4.833 4.350 -0.000 0.000 0.270 279 E C -1.886 174.594 176.600 -0.200 0.000 0.882 279 E CA -0.842 55.546 56.400 -0.020 0.000 0.758 279 E CB 2.102 31.777 29.700 -0.041 0.000 1.195 279 E HN 0.388 nan 8.360 nan 0.000 0.419 280 Y N 1.407 121.718 120.300 0.019 0.000 2.326 280 Y HA 0.289 4.839 4.550 -0.000 0.000 0.329 280 Y C -0.207 175.708 175.900 0.024 0.000 0.973 280 Y CA -0.857 57.223 58.100 -0.034 0.000 1.162 280 Y CB 1.524 39.971 38.460 -0.023 0.000 1.147 280 Y HN 0.476 nan 8.280 nan 0.000 0.456 281 H N 3.227 122.251 119.070 -0.077 0.000 2.529 281 H HA 0.254 4.810 4.556 -0.000 0.000 0.348 281 H C -1.578 173.679 175.328 -0.119 0.000 1.079 281 H CA -1.063 54.978 56.048 -0.011 0.000 1.198 281 H CB 1.147 30.914 29.762 0.009 0.000 1.521 281 H HN 0.793 nan 8.280 nan 0.000 0.514 282 W N 2.901 123.952 121.300 -0.415 0.000 2.509 282 W HA 0.469 5.129 4.660 0.000 0.000 0.351 282 W C -0.227 176.181 176.519 -0.186 0.000 1.107 282 W CA -0.091 57.139 57.345 -0.192 0.000 1.264 282 W CB 1.791 31.184 29.460 -0.112 0.000 1.312 282 W HN 0.483 nan 8.180 nan 0.000 0.608 283 T N -0.081 114.638 114.554 0.275 0.000 2.733 283 T HA 0.309 4.659 4.350 -0.000 0.000 0.312 283 T C -1.071 173.781 174.700 0.254 0.000 1.590 283 T CA -0.816 61.411 62.100 0.213 0.000 1.005 283 T CB 1.709 70.665 68.868 0.147 0.000 1.528 283 T HN 0.311 nan 8.240 nan 0.000 0.496 284 T N -0.122 114.521 114.554 0.148 0.000 2.949 284 T HA 0.669 5.019 4.350 -0.000 0.000 0.287 284 T C 1.492 176.188 174.700 -0.007 0.000 1.034 284 T CA 0.083 62.190 62.100 0.012 0.000 1.018 284 T CB 0.779 69.595 68.868 -0.086 0.000 1.135 284 T HN 0.723 nan 8.240 nan 0.000 0.532 285 L N 1.764 122.949 121.223 -0.064 0.000 2.465 285 L HA 0.341 4.681 4.340 -0.000 0.000 0.224 285 L C 1.548 178.403 176.870 -0.025 0.000 1.145 285 L CA 1.473 56.292 54.840 -0.036 0.000 0.834 285 L CB -1.375 40.653 42.059 -0.051 0.000 0.944 285 L HN 0.690 nan 8.230 nan 0.000 0.451 286 N N -0.499 118.182 118.700 -0.031 0.000 2.321 286 N HA 0.422 5.162 4.740 -0.000 0.000 0.242 286 N C 1.389 176.905 175.510 0.010 0.000 1.141 286 N CA 0.740 53.783 53.050 -0.012 0.000 0.864 286 N CB 0.772 39.248 38.487 -0.019 0.000 1.100 286 N HN 0.594 nan 8.380 nan 0.000 0.510 287 G N -0.003 108.811 108.800 0.024 0.000 3.757 287 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.215 287 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.215 287 G C 0.240 175.180 174.900 0.066 0.000 1.411 287 G CA 0.314 45.441 45.100 0.045 0.000 0.896 287 G HN 0.552 nan 8.290 nan 0.000 0.581 288 S N 1.264 117.000 115.700 0.060 0.000 2.585 288 S HA 0.731 5.201 4.470 -0.000 0.000 0.277 288 S C 0.128 174.794 174.600 0.110 0.000 1.241 288 S CA -0.713 57.534 58.200 0.078 0.000 1.041 288 S CB 1.952 65.189 63.200 0.063 0.000 0.987 288 S HN 0.765 nan 8.310 nan 0.000 0.512 289 L N 2.854 124.155 121.223 0.130 0.000 2.342 289 L HA 0.305 4.645 4.340 -0.000 0.000 0.285 289 L C -2.146 174.814 176.870 0.150 0.000 1.095 289 L CA -2.008 52.937 54.840 0.175 0.000 0.843 289 L CB 0.399 42.542 42.059 0.141 0.000 1.201 289 L HN 0.533 nan 8.230 nan 0.000 0.445 290 P HA 0.032 nan 4.420 nan 0.000 0.259 290 P C -0.044 177.317 177.300 0.102 0.000 1.211 290 P CA 0.080 63.254 63.100 0.124 0.000 0.810 290 P CB 0.169 31.948 31.700 0.132 0.000 0.815 291 K N 2.554 122.995 120.400 0.070 0.000 2.484 291 K HA 0.371 4.691 4.320 -0.000 0.000 0.280 291 K C 0.815 177.438 176.600 0.039 0.000 1.013 291 K CA 0.389 56.706 56.287 0.050 0.000 1.029 291 K CB -0.371 32.151 32.500 0.036 0.000 0.902 291 K HN 0.640 nan 8.250 nan 0.000 0.481 292 G N 1.192 110.013 108.800 0.035 0.000 2.522 292 G HA2 0.496 4.456 3.960 -0.000 0.000 0.318 292 G HA3 0.496 4.456 3.960 -0.000 0.000 0.318 292 G C -0.387 174.554 174.900 0.068 0.000 1.192 292 G CA 0.109 45.232 45.100 0.038 0.000 0.988 292 G HN 1.525 nan 8.290 nan 0.000 0.480 293 V N 0.358 120.324 119.914 0.087 0.000 2.378 293 V HA 0.645 4.765 4.120 -0.000 0.000 0.288 293 V C -0.280 175.773 176.094 -0.069 0.000 1.016 293 V CA -1.130 61.216 62.300 0.077 0.000 0.840 293 V CB 1.579 33.555 31.823 0.255 0.000 0.994 293 V HN 0.668 nan 8.190 nan 0.000 0.431 294 E N 4.153 124.263 120.200 -0.150 0.000 2.216 294 E HA 0.714 5.064 4.350 -0.000 0.000 0.279 294 E C -0.372 176.069 176.600 -0.266 0.000 0.997 294 E CA -0.649 55.658 56.400 -0.156 0.000 0.817 294 E CB 1.827 31.453 29.700 -0.122 0.000 1.096 294 E HN 1.098 nan 8.360 nan 0.000 0.393 295 A N 4.511 127.206 122.820 -0.209 0.000 2.273 295 A HA 0.297 4.617 4.320 -0.000 0.000 0.315 295 A C -0.762 176.751 177.584 -0.119 0.000 1.256 295 A CA -0.605 51.273 52.037 -0.266 0.000 0.851 295 A CB 1.014 19.903 19.000 -0.184 0.000 1.172 295 A HN 0.613 nan 8.150 nan 0.000 0.508 296 Q N 3.360 123.078 119.800 -0.138 0.000 2.309 296 Q HA 0.372 4.712 4.340 -0.000 0.000 0.270 296 Q C -0.735 175.255 176.000 -0.017 0.000 1.023 296 Q CA -0.732 55.038 55.803 -0.054 0.000 0.758 296 Q CB 1.037 29.727 28.738 -0.080 0.000 1.247 296 Q HN 0.763 nan 8.270 nan 0.000 0.455 297 N N 4.115 122.840 118.700 0.042 0.000 2.412 297 N HA -0.069 4.671 4.740 -0.000 0.000 0.254 297 N C -0.084 175.470 175.510 0.072 0.000 1.232 297 N CA 0.725 53.864 53.050 0.147 0.000 0.880 297 N CB 0.775 39.343 38.487 0.135 0.000 1.076 297 N HN 1.047 nan 8.380 nan 0.000 0.458 298 R N -1.374 119.355 120.500 0.382 0.000 3.892 298 R HA -0.187 4.153 4.340 -0.000 0.000 0.441 298 R C -1.393 175.015 176.300 0.179 0.000 1.052 298 R CA 1.514 57.696 56.100 0.138 0.000 1.190 298 R CB -2.637 27.136 30.300 -0.878 0.000 1.808 298 R HN 0.829 nan 8.270 nan 0.000 0.538 299 T N -0.490 114.121 114.554 0.095 0.000 2.893 299 T HA 0.616 4.966 4.350 -0.000 0.000 0.293 299 T C -0.412 173.977 174.700 -0.519 0.000 1.027 299 T CA -0.983 61.037 62.100 -0.133 0.000 0.988 299 T CB 2.370 71.148 68.868 -0.149 0.000 1.043 299 T HN 0.167 nan 8.240 nan 0.000 0.461 300 L N 3.101 123.820 121.223 -0.840 0.000 2.417 300 L HA 0.580 4.920 4.340 -0.000 0.000 0.259 300 L C -0.534 175.738 176.870 -0.997 0.000 1.023 300 L CA -0.490 53.620 54.840 -1.217 0.000 0.901 300 L CB -0.238 40.639 42.059 -1.971 0.000 1.227 300 L HN 1.018 nan 8.230 nan 0.000 0.454 301 F N 3.543 123.064 119.950 -0.715 0.000 2.410 301 F HA 0.564 5.091 4.527 -0.000 0.000 0.348 301 F C -0.765 174.675 175.800 -0.599 0.000 1.106 301 F CA -0.657 56.996 58.000 -0.577 0.000 1.163 301 F CB 0.444 39.252 39.000 -0.320 0.000 1.129 301 F HN 0.368 nan 8.300 nan 0.000 0.516 302 F N 2.652 122.451 119.950 -0.253 0.000 2.404 302 F HA 0.550 5.077 4.527 -0.000 0.000 0.354 302 F C 0.533 176.209 175.800 -0.206 0.000 1.122 302 F CA -1.602 56.256 58.000 -0.237 0.000 1.080 302 F CB 0.744 39.563 39.000 -0.301 0.000 1.131 302 F HN 0.839 nan 8.300 nan 0.000 0.471 303 K N 2.109 122.517 120.400 0.014 0.000 2.401 303 K HA 0.560 4.880 4.320 -0.000 0.000 0.278 303 K C 1.065 177.637 176.600 -0.048 0.000 1.018 303 K CA 0.150 56.416 56.287 -0.034 0.000 0.981 303 K CB -0.460 32.021 32.500 -0.031 0.000 0.933 303 K HN 1.279 nan 8.250 nan 0.000 0.477 304 G N 2.673 111.431 108.800 -0.070 0.000 2.596 304 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.304 304 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.304 304 G C -1.873 172.974 174.900 -0.088 0.000 1.189 304 G CA 0.242 45.301 45.100 -0.068 0.000 0.986 304 G HN 1.009 nan 8.290 nan 0.000 0.548 305 P HA 0.438 nan 4.420 nan 0.000 0.267 305 P C -0.170 177.060 177.300 -0.117 0.000 1.205 305 P CA 0.154 63.212 63.100 -0.071 0.000 0.765 305 P CB 0.620 32.295 31.700 -0.041 0.000 0.828 306 I N 2.954 123.437 120.570 -0.144 0.000 2.607 306 I HA 0.425 4.595 4.170 -0.000 0.000 0.305 306 I C 1.015 177.082 176.117 -0.084 0.000 0.995 306 I CA -0.660 60.526 61.300 -0.190 0.000 1.148 306 I CB 1.298 39.117 38.000 -0.301 0.000 1.323 306 I HN 0.557 nan 8.210 nan 0.000 0.461 307 N N 1.958 120.616 118.700 -0.068 0.000 3.479 307 N HA 0.252 4.992 4.740 -0.000 0.000 0.336 307 N C -0.093 175.445 175.510 0.047 0.000 1.623 307 N CA -0.524 52.549 53.050 0.038 0.000 0.759 307 N CB 1.112 39.629 38.487 0.050 0.000 2.016 307 N HN 0.257 nan 8.380 nan 0.000 0.637 308 Y N 0.661 120.963 120.300 0.003 0.000 2.519 308 Y HA 0.140 4.690 4.550 -0.000 0.000 0.287 308 Y C 1.922 177.831 175.900 0.016 0.000 1.128 308 Y CA 0.543 58.654 58.100 0.018 0.000 1.282 308 Y CB -0.011 38.461 38.460 0.020 0.000 1.027 308 Y HN 0.465 nan 8.280 nan 0.000 0.551 309 S N -0.714 115.051 115.700 0.107 0.000 2.641 309 S HA 0.202 4.672 4.470 -0.000 0.000 0.261 309 S C 0.844 175.444 174.600 -0.001 0.000 1.257 309 S CA 0.059 58.288 58.200 0.048 0.000 0.983 309 S CB 0.201 63.424 63.200 0.037 0.000 0.990 309 S HN 0.380 nan 8.310 nan 0.000 0.572 310 L N -1.632 119.592 121.223 0.001 0.000 4.885 310 L HA -0.158 4.182 4.340 -0.000 0.000 0.404 310 L C 0.598 177.508 176.870 0.067 0.000 0.970 310 L CA 0.184 55.021 54.840 -0.005 0.000 1.426 310 L CB -2.547 39.409 42.059 -0.171 0.000 1.934 310 L HN 0.734 nan 8.230 nan 0.000 0.613 311 A N 0.779 123.620 122.820 0.035 0.000 2.511 311 A HA 0.567 4.887 4.320 -0.000 0.000 0.242 311 A C 0.966 178.537 177.584 -0.023 0.000 1.069 311 A CA 1.202 53.258 52.037 0.032 0.000 0.763 311 A CB 0.370 19.379 19.000 0.016 0.000 1.001 311 A HN 1.011 nan 8.150 nan 0.000 0.498 312 G N 0.424 109.188 108.800 -0.060 0.000 2.359 312 G HA2 0.398 4.357 3.960 -0.000 0.000 0.293 312 G HA3 0.398 4.357 3.960 -0.000 0.000 0.293 312 G C -0.506 174.227 174.900 -0.279 0.000 1.300 312 G CA -0.273 44.717 45.100 -0.184 0.000 0.888 312 G HN 0.905 nan 8.290 nan 0.000 0.541 313 T N 0.927 115.337 114.554 -0.239 0.000 2.888 313 T HA 0.463 4.813 4.350 -0.000 0.000 0.301 313 T C -0.825 173.682 174.700 -0.321 0.000 1.001 313 T CA 0.870 62.865 62.100 -0.175 0.000 1.147 313 T CB 0.133 68.943 68.868 -0.096 0.000 0.931 313 T HN 0.352 nan 8.240 nan 0.000 0.541 314 Y N 2.555 122.927 120.300 0.121 0.000 2.429 314 Y HA 0.626 5.176 4.550 -0.000 0.000 0.342 314 Y C 0.470 176.472 175.900 0.170 0.000 1.004 314 Y CA -1.520 56.703 58.100 0.205 0.000 1.075 314 Y CB 1.244 39.894 38.460 0.317 0.000 1.214 314 Y HN 0.550 nan 8.280 nan 0.000 0.455 315 I N 0.646 121.415 120.570 0.333 0.000 2.533 315 I HA 0.665 4.835 4.170 -0.000 0.000 0.290 315 I C -1.334 174.749 176.117 -0.056 0.000 1.056 315 I CA -0.749 60.622 61.300 0.117 0.000 1.057 315 I CB 1.648 39.681 38.000 0.055 0.000 1.240 315 I HN 0.659 nan 8.210 nan 0.000 0.423 316 c N 5.489 123.893 118.600 -0.328 0.000 2.355 316 c HA 0.524 5.094 4.570 -0.000 0.000 0.332 316 c C -0.107 173.763 174.090 -0.367 0.000 1.255 316 c CA -0.014 55.874 56.329 -0.734 0.000 1.792 316 c CB 0.975 42.839 42.510 -1.077 0.000 2.300 316 c HN 0.936 nan 8.230 nan 0.000 0.515 317 E N 4.043 124.058 120.200 -0.309 0.000 2.149 317 E HA 0.495 4.845 4.350 -0.000 0.000 0.255 317 E C -0.386 176.082 176.600 -0.220 0.000 0.888 317 E CA -0.114 56.180 56.400 -0.177 0.000 0.742 317 E CB 1.555 31.217 29.700 -0.064 0.000 1.164 317 E HN 0.847 nan 8.360 nan 0.000 0.422 318 A N 2.876 125.531 122.820 -0.275 0.000 2.304 318 A HA 0.616 4.936 4.320 -0.000 0.000 0.301 318 A C -0.001 177.396 177.584 -0.310 0.000 1.132 318 A CA -0.153 51.624 52.037 -0.432 0.000 0.819 318 A CB 1.313 20.030 19.000 -0.472 0.000 1.094 318 A HN 0.440 nan 8.150 nan 0.000 0.492 319 T N 1.176 115.525 114.554 -0.341 0.000 2.909 319 T HA 0.635 4.985 4.350 -0.000 0.000 0.299 319 T C -0.780 173.799 174.700 -0.201 0.000 1.073 319 T CA -0.537 61.434 62.100 -0.214 0.000 0.999 319 T CB 1.288 70.062 68.868 -0.157 0.000 1.098 319 T HN 1.118 nan 8.240 nan 0.000 0.477 320 N N 1.765 120.374 118.700 -0.151 0.000 3.020 320 N HA 0.476 5.216 4.740 -0.000 0.000 0.248 320 N C -2.806 172.641 175.510 -0.105 0.000 1.480 320 N CA -1.331 51.639 53.050 -0.134 0.000 0.874 320 N CB 0.837 39.226 38.487 -0.162 0.000 1.433 320 N HN 0.091 nan 8.380 nan 0.000 0.530 321 P HA 0.015 nan 4.420 nan 0.000 0.220 321 P C 1.146 178.406 177.300 -0.066 0.000 1.148 321 P CA 0.628 63.686 63.100 -0.071 0.000 0.803 321 P CB 0.102 31.763 31.700 -0.066 0.000 0.782 322 I N -1.241 119.281 120.570 -0.080 0.000 2.226 322 I HA -0.040 4.130 4.170 -0.000 0.000 0.245 322 I C 1.480 177.562 176.117 -0.057 0.000 1.100 322 I CA 1.028 62.290 61.300 -0.064 0.000 1.374 322 I CB -1.330 36.627 38.000 -0.072 0.000 1.057 322 I HN -0.133 nan 8.210 nan 0.000 0.413 323 G N -1.362 107.394 108.800 -0.073 0.000 2.563 323 G HA2 0.655 4.614 3.960 -0.000 0.000 0.302 323 G HA3 0.655 4.614 3.960 -0.000 0.000 0.302 323 G C -1.146 173.706 174.900 -0.081 0.000 1.301 323 G CA -0.211 44.843 45.100 -0.075 0.000 0.965 323 G HN 0.002 nan 8.290 nan 0.000 0.480 324 T N 0.673 115.183 114.554 -0.073 0.000 2.894 324 T HA 0.825 5.175 4.350 -0.000 0.000 0.309 324 T C -0.766 173.890 174.700 -0.073 0.000 1.208 324 T CA -0.750 61.297 62.100 -0.087 0.000 1.016 324 T CB 2.324 71.144 68.868 -0.079 0.000 1.192 324 T HN 0.543 nan 8.240 nan 0.000 0.491 325 R N 0.500 120.948 120.500 -0.086 0.000 2.728 325 R HA 0.682 5.022 4.340 -0.000 0.000 0.274 325 R C -1.406 174.844 176.300 -0.083 0.000 1.032 325 R CA -0.644 55.416 56.100 -0.067 0.000 0.866 325 R CB 1.673 31.943 30.300 -0.050 0.000 1.263 325 R HN 0.936 nan 8.270 nan 0.000 0.475 326 S N -1.063 114.598 115.700 -0.065 0.000 2.661 326 S HA 0.909 5.379 4.470 -0.000 0.000 0.285 326 S C -0.265 174.301 174.600 -0.057 0.000 1.138 326 S CA -0.449 57.705 58.200 -0.076 0.000 0.855 326 S CB 2.731 65.893 63.200 -0.064 0.000 1.136 326 S HN 0.758 nan 8.310 nan 0.000 0.484 327 G N -0.539 108.224 108.800 -0.063 0.000 2.818 327 G HA2 0.707 4.667 3.960 -0.000 0.000 0.286 327 G HA3 0.707 4.667 3.960 -0.000 0.000 0.286 327 G C -1.751 173.142 174.900 -0.011 0.000 1.364 327 G CA -0.813 44.267 45.100 -0.033 0.000 0.938 327 G HN 0.723 nan 8.290 nan 0.000 0.490 328 Q N -1.563 118.241 119.800 0.008 0.000 2.501 328 Q HA 0.673 5.013 4.340 -0.000 0.000 0.288 328 Q C -1.679 174.337 176.000 0.028 0.000 1.051 328 Q CA -0.875 54.947 55.803 0.030 0.000 0.788 328 Q CB 3.268 32.008 28.738 0.003 0.000 1.469 328 Q HN 0.367 nan 8.270 nan 0.000 0.416 329 V N 0.468 120.411 119.914 0.048 0.000 2.777 329 V HA 0.464 4.584 4.120 -0.000 0.000 0.306 329 V C -0.859 175.192 176.094 -0.071 0.000 1.112 329 V CA -0.717 61.555 62.300 -0.046 0.000 0.917 329 V CB 1.718 33.538 31.823 -0.006 0.000 1.018 329 V HN 0.885 nan 8.190 nan 0.000 0.426 330 E N 2.446 122.521 120.200 -0.209 0.000 2.167 330 E HA 0.603 4.953 4.350 -0.000 0.000 0.284 330 E C -0.677 175.766 176.600 -0.261 0.000 1.016 330 E CA -0.306 55.991 56.400 -0.171 0.000 0.817 330 E CB 1.812 31.424 29.700 -0.146 0.000 1.080 330 E HN 0.772 nan 8.360 nan 0.000 0.397 331 V N 4.264 124.179 119.914 0.001 0.000 2.370 331 V HA 0.444 4.564 4.120 -0.000 0.000 0.283 331 V C -1.025 175.229 176.094 0.266 0.000 1.023 331 V CA -0.842 61.608 62.300 0.249 0.000 0.857 331 V CB 1.279 33.425 31.823 0.540 0.000 0.985 331 V HN 0.791 nan 8.190 nan 0.000 0.443 332 N N 6.851 125.765 118.700 0.356 0.000 2.399 332 N HA 0.646 5.386 4.740 -0.000 0.000 0.295 332 N C -0.824 174.795 175.510 0.181 0.000 1.048 332 N CA -0.296 52.876 53.050 0.204 0.000 0.886 332 N CB 1.790 40.381 38.487 0.174 0.000 1.185 332 N HN 0.722 nan 8.380 nan 0.000 0.487 333 I N -1.315 119.278 120.570 0.038 0.000 2.548 333 I HA 0.571 4.741 4.170 -0.000 0.000 0.287 333 I C -0.790 175.173 176.117 -0.257 0.000 1.103 333 I CA -0.671 60.604 61.300 -0.042 0.000 1.049 333 I CB 1.917 39.854 38.000 -0.105 0.000 1.232 333 I HN 0.170 nan 8.210 nan 0.000 0.429 334 T N 1.340 115.844 114.554 -0.084 0.000 2.812 334 T HA 0.455 4.805 4.350 -0.000 0.000 0.294 334 T C 1.100 175.870 174.700 0.117 0.000 1.159 334 T CA 0.055 62.144 62.100 -0.018 0.000 1.008 334 T CB 1.780 70.695 68.868 0.079 0.000 1.289 334 T HN 0.720 nan 8.240 nan 0.000 0.514 335 E N 0.259 120.578 120.200 0.198 0.000 2.171 335 E HA 0.099 4.449 4.350 -0.000 0.000 0.197 335 E C 1.281 177.917 176.600 0.060 0.000 0.997 335 E CA 1.492 57.977 56.400 0.142 0.000 0.810 335 E CB -1.037 28.734 29.700 0.118 0.000 0.738 335 E HN 0.999 nan 8.360 nan 0.000 0.467 336 A N 0.000 122.860 122.820 0.066 0.000 2.254 336 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 336 A CA 0.000 52.054 52.037 0.029 0.000 0.836 336 A CB 0.000 19.037 19.000 0.062 0.000 0.831 336 A HN 0.000 nan 8.150 nan 0.000 0.486