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 1t8n_1_A DATA FIRST_RESID 1 DATA SEQUENCE cGVPAIQPVL SXXXXIVNGE EAVPGSWPWQ VSLQDKTGFH FcGGSLINEN DATA SEQUENCE WVVTAAHcGV TTSDVVVAGE FDQGSSSEKI QKLKIAKVFK NSKYNSLTIN DATA SEQUENCE NDITLLKLST AASFSQTVSA VcLPSASDDF AAGTTcVTTG WGLTRYXXAN DATA SEQUENCE TPDRLQQASL PLLSNTNcKK YWGTKIKDAM IcAGASGVSS cMGDSGGPLV DATA SEQUENCE cKKNGAWTLV GIVSWGSSTc STSTPGVYAR VTALVNWVQQ TLAAN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 c HA 0.000 nan 4.570 nan 0.000 0.325 1 c C 0.000 174.157 174.090 0.111 0.000 1.270 1 c CA 0.000 56.403 56.329 0.123 0.000 1.963 1 c CB 0.000 42.555 42.510 0.074 0.000 2.134 2 G N 0.162 109.022 108.800 0.101 0.000 2.175 2 G HA2 -0.094 3.868 3.960 0.004 0.000 0.265 2 G HA3 -0.094 3.868 3.960 0.004 0.000 0.265 2 G C -0.160 174.984 174.900 0.408 0.000 0.979 2 G CA 0.533 45.719 45.100 0.143 0.000 0.663 2 G HN 2.003 nan 8.290 nan 0.000 0.533 3 V N 1.759 121.895 119.914 0.370 0.000 2.340 3 V HA 0.391 4.514 4.120 0.004 0.000 0.277 3 V C -1.882 174.367 176.094 0.259 0.000 1.017 3 V CA -1.481 61.001 62.300 0.304 0.000 0.820 3 V CB 1.697 33.617 31.823 0.160 0.000 1.028 3 V HN 0.147 nan 8.190 nan 0.000 0.436 4 P HA 0.242 nan 4.420 nan 0.000 0.271 4 P C 0.827 178.112 177.300 -0.026 0.000 1.220 4 P CA -0.080 63.027 63.100 0.010 0.000 0.768 4 P CB 1.286 32.867 31.700 -0.198 0.000 0.848 5 A N 4.044 126.832 122.820 -0.053 0.000 1.969 5 A HA -0.044 4.278 4.320 0.004 0.000 0.218 5 A C 0.953 178.485 177.584 -0.086 0.000 1.169 5 A CA 1.041 53.049 52.037 -0.048 0.000 0.635 5 A CB -0.646 18.327 19.000 -0.044 0.000 0.810 5 A HN 0.559 nan 8.150 nan 0.000 0.445 6 I N 1.134 121.615 120.570 -0.148 0.000 2.328 6 I HA 0.145 4.318 4.170 0.004 0.000 0.287 6 I C -0.577 175.394 176.117 -0.242 0.000 1.012 6 I CA -0.680 60.509 61.300 -0.186 0.000 1.195 6 I CB 1.316 39.180 38.000 -0.226 0.000 1.350 6 I HN 0.172 nan 8.210 nan 0.000 0.464 7 Q N 7.816 127.507 119.800 -0.180 0.000 2.311 7 Q HA 0.205 4.547 4.340 0.004 0.000 0.272 7 Q C -2.124 173.704 176.000 -0.287 0.000 1.012 7 Q CA -1.288 54.406 55.803 -0.183 0.000 0.891 7 Q CB 0.582 29.268 28.738 -0.086 0.000 1.201 7 Q HN 0.362 nan 8.270 nan 0.000 0.391 8 P HA 0.184 nan 4.420 nan 0.000 0.277 8 P C -0.736 176.440 177.300 -0.206 0.000 1.240 8 P CA -0.351 62.433 63.100 -0.526 0.000 0.798 8 P CB 0.959 31.993 31.700 -1.110 0.000 0.979 9 V N 3.553 123.387 119.914 -0.134 0.000 2.376 9 V HA 0.299 4.421 4.120 0.004 0.000 0.287 9 V C 0.324 176.434 176.094 0.028 0.000 1.015 9 V CA -0.512 61.767 62.300 -0.035 0.000 0.834 9 V CB 1.108 32.903 31.823 -0.047 0.000 1.001 9 V HN 0.383 nan 8.190 nan 0.000 0.428 10 L N 4.067 125.335 121.223 0.075 0.000 2.309 10 L HA 0.776 5.119 4.340 0.004 0.000 0.282 10 L C 0.454 177.365 176.870 0.069 0.000 1.036 10 L CA 0.052 54.953 54.840 0.102 0.000 0.806 10 L CB 1.703 43.858 42.059 0.160 0.000 1.220 10 L HN 0.861 nan 8.230 nan 0.000 0.429 17 V N 5.626 125.550 119.914 0.018 0.000 2.498 17 V HA 0.287 4.410 4.120 0.004 0.000 0.279 17 V C 0.892 176.992 176.094 0.011 0.000 1.048 17 V CA 0.044 62.358 62.300 0.024 0.000 0.967 17 V CB 1.160 33.006 31.823 0.039 0.000 0.988 17 V HN 0.980 nan 8.190 nan 0.000 0.473 18 N N 2.778 121.484 118.700 0.010 0.000 2.776 18 N HA -0.146 4.597 4.740 0.004 0.000 0.250 18 N C 0.341 175.850 175.510 -0.001 0.000 1.112 18 N CA 1.085 54.138 53.050 0.005 0.000 0.733 18 N CB -0.924 37.567 38.487 0.006 0.000 1.097 18 N HN 0.992 nan 8.380 nan 0.000 0.558 19 G N -0.690 108.105 108.800 -0.009 0.000 2.574 19 G HA2 0.621 4.583 3.960 0.004 0.000 0.248 19 G HA3 0.621 4.583 3.960 0.004 0.000 0.248 19 G C -0.399 174.495 174.900 -0.011 0.000 1.422 19 G CA 0.108 45.197 45.100 -0.019 0.000 1.051 19 G HN 0.543 nan 8.290 nan 0.000 0.560 20 E N -1.440 118.752 120.200 -0.012 0.000 2.433 20 E HA 0.410 4.763 4.350 0.004 0.000 0.278 20 E C -1.097 175.508 176.600 0.009 0.000 0.976 20 E CA -0.833 55.570 56.400 0.005 0.000 0.793 20 E CB 1.888 31.600 29.700 0.019 0.000 1.311 20 E HN 0.411 nan 8.360 nan 0.000 0.460 21 E N 0.606 120.824 120.200 0.031 0.000 2.384 21 E HA 0.324 4.677 4.350 0.004 0.000 0.266 21 E C -0.817 175.848 176.600 0.108 0.000 1.012 21 E CA -0.204 56.238 56.400 0.070 0.000 0.901 21 E CB 0.787 30.551 29.700 0.106 0.000 0.967 21 E HN 0.541 nan 8.360 nan 0.000 0.435 22 A N 3.493 126.416 122.820 0.171 0.000 2.279 22 A HA 0.341 4.664 4.320 0.004 0.000 0.303 22 A C -0.461 177.151 177.584 0.046 0.000 1.108 22 A CA -0.714 51.418 52.037 0.158 0.000 0.830 22 A CB 1.041 20.196 19.000 0.259 0.000 1.106 22 A HN 0.499 nan 8.150 nan 0.000 0.493 23 V N 2.789 122.628 119.914 -0.126 0.000 2.585 23 V HA 0.122 4.245 4.120 0.004 0.000 0.296 23 V C -2.032 173.798 176.094 -0.441 0.000 1.035 23 V CA -0.712 61.424 62.300 -0.275 0.000 1.084 23 V CB 0.544 32.202 31.823 -0.275 0.000 0.953 23 V HN 0.733 nan 8.190 nan 0.000 0.483 24 P HA 0.117 nan 4.420 nan 0.000 0.261 24 P C 0.940 177.967 177.300 -0.455 0.000 1.183 24 P CA 1.509 64.023 63.100 -0.976 0.000 0.761 24 P CB 0.322 31.369 31.700 -1.089 0.000 0.785 25 G N 3.059 111.690 108.800 -0.282 0.000 2.168 25 G HA2 -0.323 3.639 3.960 0.004 0.000 0.263 25 G HA3 -0.323 3.639 3.960 0.004 0.000 0.263 25 G C 1.071 175.763 174.900 -0.348 0.000 0.977 25 G CA 0.599 45.562 45.100 -0.227 0.000 0.659 25 G HN 0.602 nan 8.290 nan 0.000 0.533 26 S N -1.777 113.634 115.700 -0.482 0.000 2.607 26 S HA 0.193 4.666 4.470 0.004 0.000 0.224 26 S C 0.608 174.507 174.600 -1.168 0.000 0.969 26 S CA 0.621 58.362 58.200 -0.765 0.000 0.927 26 S CB -0.278 62.409 63.200 -0.854 0.000 0.772 26 S HN 0.662 nan 8.310 nan 0.000 0.533 27 W N 1.942 122.872 121.300 -0.617 0.000 1.890 27 W HA 0.406 5.068 4.660 0.004 0.000 0.293 27 W C -2.107 173.800 176.519 -1.021 0.000 0.895 27 W CA -2.065 54.632 57.345 -1.080 0.000 1.968 27 W CB 1.091 30.062 29.460 -0.816 0.000 2.198 27 W HN 0.056 nan 8.180 nan 0.000 0.401 28 P HA -0.219 nan 4.420 nan 0.000 0.222 28 P C 0.842 178.009 177.300 -0.222 0.000 1.142 28 P CA 1.758 64.630 63.100 -0.381 0.000 0.788 28 P CB 0.046 31.574 31.700 -0.287 0.000 0.767 29 W N -0.272 121.033 121.300 0.007 0.000 2.863 29 W HA 0.322 4.985 4.660 0.004 0.000 0.258 29 W C 0.798 177.350 176.519 0.055 0.000 1.298 29 W CA -0.462 56.888 57.345 0.008 0.000 1.451 29 W CB -1.540 27.939 29.460 0.032 0.000 1.107 29 W HN -0.148 nan 8.180 nan 0.000 0.641 30 Q N 2.998 122.790 119.800 -0.013 0.000 2.271 30 Q HA 0.287 4.629 4.340 0.004 0.000 0.273 30 Q C -0.198 175.922 176.000 0.200 0.000 1.051 30 Q CA -0.008 55.852 55.803 0.094 0.000 0.901 30 Q CB 0.828 29.517 28.738 -0.082 0.000 1.174 30 Q HN 0.257 nan 8.270 nan 0.000 0.385 31 V N 0.882 120.945 119.914 0.249 0.000 3.046 31 V HA 0.836 4.958 4.120 0.004 0.000 0.316 31 V C -0.567 175.698 176.094 0.285 0.000 1.104 31 V CA -0.814 61.629 62.300 0.238 0.000 1.006 31 V CB 2.017 33.930 31.823 0.150 0.000 1.058 31 V HN 0.697 nan 8.190 nan 0.000 0.440 32 S N 2.052 117.831 115.700 0.132 0.000 2.454 32 S HA 0.713 5.186 4.470 0.004 0.000 0.306 32 S C -0.748 173.768 174.600 -0.140 0.000 1.100 32 S CA -0.722 57.492 58.200 0.024 0.000 1.087 32 S CB 0.610 63.647 63.200 -0.271 0.000 1.019 32 S HN 0.758 nan 8.310 nan 0.000 0.480 33 L N 4.945 125.941 121.223 -0.378 0.000 2.264 33 L HA 0.521 4.864 4.340 0.004 0.000 0.289 33 L C 0.094 176.578 176.870 -0.643 0.000 1.044 33 L CA -0.433 54.089 54.840 -0.531 0.000 0.807 33 L CB 1.242 42.812 42.059 -0.817 0.000 1.192 33 L HN 0.674 nan 8.230 nan 0.000 0.425 34 Q N 1.294 121.018 119.800 -0.126 0.000 2.433 34 Q HA 0.344 4.687 4.340 0.004 0.000 0.279 34 Q C -1.179 175.046 176.000 0.376 0.000 1.105 34 Q CA -1.073 54.819 55.803 0.148 0.000 0.815 34 Q CB 2.687 31.448 28.738 0.039 0.000 1.403 34 Q HN 0.630 nan 8.270 nan 0.000 0.435 35 D N -0.272 120.352 120.400 0.373 0.000 2.478 35 D HA 0.018 4.660 4.640 0.004 0.000 0.269 35 D C 0.629 177.005 176.300 0.127 0.000 1.232 35 D CA -0.491 53.630 54.000 0.202 0.000 1.059 35 D CB 0.541 41.404 40.800 0.104 0.000 1.104 35 D HN 0.579 nan 8.370 nan 0.000 0.566 36 K N -1.567 118.874 120.400 0.068 0.000 2.360 36 K HA -0.159 4.164 4.320 0.004 0.000 0.201 36 K C 1.370 177.998 176.600 0.048 0.000 1.046 36 K CA 1.626 57.940 56.287 0.046 0.000 0.940 36 K CB -0.763 31.749 32.500 0.020 0.000 0.748 36 K HN 0.546 nan 8.250 nan 0.000 0.465 37 T N -3.546 111.048 114.554 0.067 0.000 3.081 37 T HA 0.271 4.623 4.350 0.004 0.000 0.250 37 T C 1.340 176.092 174.700 0.088 0.000 1.100 37 T CA 0.269 62.409 62.100 0.067 0.000 1.038 37 T CB 0.356 69.263 68.868 0.065 0.000 0.962 37 T HN 0.470 nan 8.240 nan 0.000 0.516 38 G N 0.923 109.786 108.800 0.106 0.000 2.144 38 G HA2 -0.182 3.781 3.960 0.004 0.000 0.218 38 G HA3 -0.182 3.781 3.960 0.004 0.000 0.218 38 G C -0.237 174.729 174.900 0.111 0.000 0.988 38 G CA -0.226 44.919 45.100 0.075 0.000 0.659 38 G HN 0.608 nan 8.290 nan 0.000 0.522 39 F N 2.765 122.746 119.950 0.053 0.000 2.444 39 F HA 0.586 5.115 4.527 0.003 0.000 0.360 39 F C 0.889 176.780 175.800 0.151 0.000 1.106 39 F CA -0.949 57.102 58.000 0.085 0.000 1.170 39 F CB 0.358 39.405 39.000 0.078 0.000 1.113 39 F HN 0.298 nan 8.300 nan 0.000 0.521 40 H N 7.062 125.804 119.070 -0.546 0.000 2.955 40 H HA 0.163 4.721 4.556 0.004 0.000 0.290 40 H C 0.115 175.242 175.328 -0.335 0.000 1.047 40 H CA 0.180 55.976 56.048 -0.420 0.000 1.484 40 H CB 0.278 29.754 29.762 -0.476 0.000 1.501 40 H HN 0.612 nan 8.280 nan 0.000 0.521 41 F N 1.355 120.985 119.950 -0.533 0.000 2.746 41 F HA 0.445 4.974 4.527 0.004 0.000 0.313 41 F C -0.392 175.232 175.800 -0.293 0.000 1.095 41 F CA -0.766 57.100 58.000 -0.224 0.000 1.224 41 F CB -0.113 38.919 39.000 0.052 0.000 1.060 41 F HN 0.426 nan 8.300 nan 0.000 0.584 42 c N 0.198 118.147 118.600 -1.085 0.000 3.292 42 c HA 0.730 5.303 4.570 0.004 0.000 0.338 42 c C 0.515 174.299 174.090 -0.509 0.000 1.323 42 c CA -0.606 55.358 56.329 -0.608 0.000 1.232 42 c CB 1.177 43.403 42.510 -0.474 0.000 1.517 42 c HN 0.691 nan 8.230 nan 0.000 0.470 43 G N -0.190 108.544 108.800 -0.110 0.000 2.601 43 G HA2 0.855 4.817 3.960 0.004 0.000 0.317 43 G HA3 0.855 4.817 3.960 0.004 0.000 0.317 43 G C -0.353 174.555 174.900 0.014 0.000 1.246 43 G CA 0.148 45.295 45.100 0.079 0.000 1.012 43 G HN 1.477 nan 8.290 nan 0.000 0.494 44 G N -1.804 107.051 108.800 0.091 0.000 2.559 44 G HA2 0.531 4.494 3.960 0.004 0.000 0.291 44 G HA3 0.531 4.494 3.960 0.004 0.000 0.291 44 G C -1.436 173.559 174.900 0.159 0.000 1.424 44 G CA -0.296 44.860 45.100 0.093 0.000 0.786 44 G HN 0.885 nan 8.290 nan 0.000 0.485 45 S N -0.393 115.410 115.700 0.171 0.000 2.594 45 S HA 0.525 4.998 4.470 0.004 0.000 0.296 45 S C -0.319 174.416 174.600 0.224 0.000 1.124 45 S CA -0.496 57.844 58.200 0.232 0.000 1.011 45 S CB 1.447 64.749 63.200 0.170 0.000 1.016 45 S HN 0.562 nan 8.310 nan 0.000 0.485 46 L N 3.781 125.170 121.223 0.277 0.000 2.410 46 L HA 0.344 4.687 4.340 0.004 0.000 0.273 46 L C 1.217 178.242 176.870 0.258 0.000 1.152 46 L CA -0.002 55.009 54.840 0.284 0.000 0.855 46 L CB 0.406 42.646 42.059 0.302 0.000 1.129 46 L HN 0.781 nan 8.230 nan 0.000 0.463 47 I N -0.593 120.131 120.570 0.257 0.000 4.181 47 I HA 0.321 4.493 4.170 0.004 0.000 0.331 47 I C 0.065 176.324 176.117 0.236 0.000 1.312 47 I CA -0.208 61.202 61.300 0.184 0.000 1.146 47 I CB 0.220 38.285 38.000 0.108 0.000 1.074 47 I HN 0.745 nan 8.210 nan 0.000 0.402 48 N N -0.154 118.757 118.700 0.352 0.000 3.373 48 N HA 0.089 4.831 4.740 0.004 0.000 0.275 48 N C -0.343 175.349 175.510 0.304 0.000 1.489 48 N CA -0.622 52.624 53.050 0.326 0.000 0.872 48 N CB 0.514 39.105 38.487 0.174 0.000 1.555 48 N HN -0.109 nan 8.380 nan 0.000 0.500 49 E N -0.806 119.304 120.200 -0.150 0.000 2.409 49 E HA 0.113 4.466 4.350 0.004 0.000 0.198 49 E C 0.161 176.752 176.600 -0.015 0.000 1.024 49 E CA 0.814 57.032 56.400 -0.304 0.000 0.861 49 E CB -0.206 29.128 29.700 -0.609 0.000 0.788 49 E HN 0.447 nan 8.360 nan 0.000 0.521 50 N N -1.143 117.605 118.700 0.080 0.000 2.159 50 N HA 0.069 4.811 4.740 0.004 0.000 0.217 50 N C -0.810 174.597 175.510 -0.172 0.000 1.223 50 N CA 0.099 53.129 53.050 -0.035 0.000 0.896 50 N CB 0.645 39.096 38.487 -0.061 0.000 1.064 50 N HN 0.065 nan 8.380 nan 0.000 0.518 51 W N 0.753 122.090 121.300 0.062 0.000 2.915 51 W HA 0.565 5.227 4.660 0.004 0.000 0.337 51 W C -0.576 176.005 176.519 0.103 0.000 1.102 51 W CA -0.554 56.831 57.345 0.066 0.000 1.224 51 W CB 1.318 30.786 29.460 0.013 0.000 1.416 51 W HN -0.432 nan 8.180 nan 0.000 0.503 52 V N 3.261 123.378 119.914 0.338 0.000 2.656 52 V HA 0.539 4.662 4.120 0.004 0.000 0.307 52 V C -0.911 175.337 176.094 0.257 0.000 1.051 52 V CA -1.192 61.261 62.300 0.254 0.000 0.893 52 V CB 1.820 33.749 31.823 0.177 0.000 0.999 52 V HN 0.338 nan 8.190 nan 0.000 0.426 53 V N 4.588 124.627 119.914 0.208 0.000 2.435 53 V HA 0.834 4.957 4.120 0.004 0.000 0.290 53 V C -0.009 176.170 176.094 0.141 0.000 1.030 53 V CA 0.563 62.978 62.300 0.192 0.000 0.881 53 V CB 1.828 33.747 31.823 0.160 0.000 0.983 53 V HN 1.103 nan 8.190 nan 0.000 0.445 54 T N 4.477 119.105 114.554 0.125 0.000 2.618 54 T HA 0.776 5.128 4.350 0.004 0.000 0.286 54 T C -0.605 174.103 174.700 0.015 0.000 1.027 54 T CA 0.101 62.233 62.100 0.055 0.000 1.063 54 T CB 1.598 70.478 68.868 0.021 0.000 1.440 54 T HN 1.226 nan 8.240 nan 0.000 0.505 55 A N 0.345 123.118 122.820 -0.078 0.000 2.304 55 A HA 0.743 5.066 4.320 0.004 0.000 0.301 55 A C 1.403 178.838 177.584 -0.248 0.000 1.132 55 A CA 0.210 52.153 52.037 -0.157 0.000 0.819 55 A CB 0.418 19.253 19.000 -0.276 0.000 1.094 55 A HN 1.153 nan 8.150 nan 0.000 0.492 56 A N 0.974 123.606 122.820 -0.313 0.000 1.969 56 A HA -0.128 4.195 4.320 0.004 0.000 0.218 56 A C 1.741 179.011 177.584 -0.522 0.000 1.169 56 A CA 1.682 53.426 52.037 -0.488 0.000 0.635 56 A CB -0.960 17.510 19.000 -0.882 0.000 0.810 56 A HN 1.077 nan 8.150 nan 0.000 0.445 57 H N -1.896 116.914 119.070 -0.433 0.000 2.561 57 H HA -0.033 4.525 4.556 0.004 0.000 0.278 57 H C 1.603 176.918 175.328 -0.022 0.000 1.014 57 H CA 1.191 57.135 56.048 -0.173 0.000 1.211 57 H CB -0.750 29.014 29.762 0.004 0.000 1.365 57 H HN 0.405 nan 8.280 nan 0.000 0.594 58 c N 1.041 119.428 118.600 -0.356 0.000 2.456 58 c HA 0.134 4.707 4.570 0.004 0.000 0.279 58 c C 2.025 176.171 174.090 0.093 0.000 1.427 58 c CA 0.872 57.161 56.329 -0.066 0.000 1.778 58 c CB -1.171 41.306 42.510 -0.055 0.000 1.842 58 c HN 0.912 nan 8.230 nan 0.000 0.531 59 G N 1.123 109.925 108.800 0.004 0.000 2.305 59 G HA2 -0.225 3.737 3.960 0.004 0.000 0.287 59 G HA3 -0.225 3.737 3.960 0.004 0.000 0.287 59 G C 0.090 174.999 174.900 0.016 0.000 1.036 59 G CA 0.373 45.473 45.100 -0.001 0.000 0.887 59 G HN 0.439 nan 8.290 nan 0.000 0.505 60 V N 0.687 120.666 119.914 0.108 0.000 2.763 60 V HA 0.511 4.634 4.120 0.004 0.000 0.306 60 V C 1.204 177.335 176.094 0.060 0.000 1.059 60 V CA 0.859 63.256 62.300 0.162 0.000 1.138 60 V CB 1.021 32.965 31.823 0.201 0.000 0.940 60 V HN 0.994 nan 8.190 nan 0.000 0.489 61 T N -0.561 114.018 114.554 0.042 0.000 2.888 61 T HA 0.332 4.685 4.350 0.004 0.000 0.288 61 T C 0.956 175.665 174.700 0.015 0.000 1.063 61 T CA 0.083 62.185 62.100 0.004 0.000 1.010 61 T CB 1.597 70.447 68.868 -0.029 0.000 1.214 61 T HN 0.765 nan 8.240 nan 0.000 0.533 62 T N -1.250 113.299 114.554 -0.009 0.000 3.098 62 T HA 0.015 4.368 4.350 0.004 0.000 0.266 62 T C 1.696 176.396 174.700 0.000 0.000 1.145 62 T CA 0.909 63.003 62.100 -0.009 0.000 1.092 62 T CB -0.660 68.191 68.868 -0.029 0.000 0.908 62 T HN 0.467 nan 8.240 nan 0.000 0.526 63 S N 1.105 116.805 115.700 0.000 0.000 2.496 63 S HA 0.086 4.558 4.470 0.004 0.000 0.224 63 S C 0.630 175.246 174.600 0.028 0.000 0.996 63 S CA -0.047 58.154 58.200 0.002 0.000 0.927 63 S CB -0.075 63.116 63.200 -0.016 0.000 0.774 63 S HN 0.601 nan 8.310 nan 0.000 0.524 64 D N 1.464 121.898 120.400 0.057 0.000 2.383 64 D HA 0.408 5.051 4.640 0.004 0.000 0.248 64 D C 0.142 176.503 176.300 0.102 0.000 1.170 64 D CA -0.099 53.979 54.000 0.130 0.000 0.977 64 D CB 1.352 42.313 40.800 0.268 0.000 1.120 64 D HN 0.153 nan 8.370 nan 0.000 0.481 65 V N -2.499 117.481 119.914 0.109 0.000 2.962 65 V HA 0.595 4.718 4.120 0.004 0.000 0.313 65 V C -0.421 175.693 176.094 0.032 0.000 1.099 65 V CA -0.930 61.404 62.300 0.057 0.000 0.971 65 V CB 1.804 33.651 31.823 0.040 0.000 1.028 65 V HN 0.200 nan 8.190 nan 0.000 0.430 66 V N 3.452 123.380 119.914 0.023 0.000 2.383 66 V HA 0.468 4.591 4.120 0.004 0.000 0.275 66 V C -0.054 176.050 176.094 0.017 0.000 1.036 66 V CA -0.344 61.966 62.300 0.017 0.000 0.889 66 V CB 1.511 33.359 31.823 0.042 0.000 0.985 66 V HN 0.764 nan 8.190 nan 0.000 0.459 67 V N 5.158 125.072 119.914 -0.000 0.000 2.334 67 V HA 0.741 4.864 4.120 0.004 0.000 0.281 67 V C 0.438 176.553 176.094 0.036 0.000 1.016 67 V CA -0.355 61.943 62.300 -0.004 0.000 0.832 67 V CB 1.298 33.081 31.823 -0.066 0.000 0.999 67 V HN 0.967 nan 8.190 nan 0.000 0.439 68 A N 3.394 126.250 122.820 0.061 0.000 2.311 68 A HA 0.807 5.130 4.320 0.004 0.000 0.334 68 A C 1.121 178.755 177.584 0.082 0.000 1.139 68 A CA 0.034 52.126 52.037 0.091 0.000 0.830 68 A CB 1.115 20.179 19.000 0.106 0.000 1.234 68 A HN 1.985 nan 8.150 nan 0.000 0.483 69 G N -0.200 108.653 108.800 0.087 0.000 2.153 69 G HA2 -0.216 3.747 3.960 0.004 0.000 0.252 69 G HA3 -0.216 3.747 3.960 0.004 0.000 0.252 69 G C 0.088 175.059 174.900 0.118 0.000 0.994 69 G CA 0.749 45.894 45.100 0.075 0.000 0.698 69 G HN 1.068 nan 8.290 nan 0.000 0.521 70 E N -1.305 119.003 120.200 0.179 0.000 2.277 70 E HA 0.710 5.063 4.350 0.004 0.000 0.274 70 E C 0.599 177.479 176.600 0.466 0.000 1.022 70 E CA -0.925 55.608 56.400 0.221 0.000 0.853 70 E CB 0.578 30.305 29.700 0.044 0.000 1.086 70 E HN 0.254 nan 8.360 nan 0.000 0.397 71 F N 2.180 122.283 119.950 0.254 0.000 2.212 71 F HA 0.270 4.800 4.527 0.005 0.000 0.262 71 F C -0.198 175.806 175.800 0.340 0.000 0.906 71 F CA -0.134 58.036 58.000 0.283 0.000 1.127 71 F CB 0.589 39.650 39.000 0.102 0.000 1.178 71 F HN 0.408 nan 8.300 nan 0.000 0.779 72 D N 1.565 121.929 120.400 -0.060 0.000 2.454 72 D HA 0.182 4.825 4.640 0.004 0.000 0.225 72 D C 0.347 176.578 176.300 -0.115 0.000 1.081 72 D CA 0.020 53.902 54.000 -0.197 0.000 0.864 72 D CB 1.404 42.166 40.800 -0.064 0.000 1.040 72 D HN 0.439 nan 8.370 nan 0.000 0.517 73 Q N 1.798 121.475 119.800 -0.206 0.000 2.488 73 Q HA 0.019 4.362 4.340 0.004 0.000 0.211 73 Q C 1.512 177.410 176.000 -0.171 0.000 0.967 73 Q CA 0.549 56.181 55.803 -0.285 0.000 0.926 73 Q CB 0.454 28.883 28.738 -0.515 0.000 0.992 73 Q HN 0.498 nan 8.270 nan 0.000 0.506 74 G N 0.331 109.059 108.800 -0.120 0.000 3.042 74 G HA2 -0.034 3.929 3.960 0.004 0.000 0.212 74 G HA3 -0.034 3.929 3.960 0.004 0.000 0.212 74 G C 0.281 175.154 174.900 -0.045 0.000 1.166 74 G CA -0.176 44.879 45.100 -0.076 0.000 0.767 74 G HN 0.126 nan 8.290 nan 0.000 0.546 75 S N 0.610 116.287 115.700 -0.038 0.000 2.410 75 S HA 0.368 4.840 4.470 0.004 0.000 0.304 75 S C 1.672 176.265 174.600 -0.013 0.000 1.095 75 S CA 0.135 58.330 58.200 -0.009 0.000 1.089 75 S CB 1.028 64.241 63.200 0.023 0.000 0.968 75 S HN 0.297 nan 8.310 nan 0.000 0.480 76 S N 3.551 119.246 115.700 -0.010 0.000 2.461 76 S HA -0.078 4.395 4.470 0.004 0.000 0.228 76 S C 1.804 176.404 174.600 -0.001 0.000 1.005 76 S CA 0.844 59.038 58.200 -0.010 0.000 0.942 76 S CB -0.432 62.764 63.200 -0.008 0.000 0.776 76 S HN 0.824 nan 8.310 nan 0.000 0.514 77 S N 0.870 116.574 115.700 0.007 0.000 2.470 77 S HA 0.095 4.568 4.470 0.004 0.000 0.225 77 S C 0.633 175.243 174.600 0.018 0.000 1.006 77 S CA -0.202 58.005 58.200 0.012 0.000 0.934 77 S CB -0.648 62.560 63.200 0.013 0.000 0.778 77 S HN 0.646 nan 8.310 nan 0.000 0.517 78 E N 2.128 122.343 120.200 0.025 0.000 2.502 78 E HA -0.020 4.332 4.350 0.004 0.000 0.261 78 E C -0.712 175.906 176.600 0.030 0.000 0.974 78 E CA 0.267 56.690 56.400 0.039 0.000 0.936 78 E CB 0.387 30.122 29.700 0.059 0.000 0.926 78 E HN 0.352 nan 8.360 nan 0.000 0.459 79 K N 5.439 125.858 120.400 0.032 0.000 2.312 79 K HA 0.276 4.599 4.320 0.004 0.000 0.287 79 K C 0.106 176.726 176.600 0.033 0.000 1.062 79 K CA -0.034 56.270 56.287 0.027 0.000 0.934 79 K CB 0.340 32.855 32.500 0.024 0.000 1.027 79 K HN 0.414 nan 8.250 nan 0.000 0.478 80 I N -1.145 119.442 120.570 0.027 0.000 3.279 80 I HA 0.349 4.521 4.170 0.004 0.000 0.315 80 I C -1.308 174.827 176.117 0.031 0.000 1.187 80 I CA -1.326 59.992 61.300 0.031 0.000 0.953 80 I CB 2.143 40.153 38.000 0.017 0.000 1.279 80 I HN 0.370 nan 8.210 nan 0.000 0.465 81 Q N 1.864 121.687 119.800 0.038 0.000 2.339 81 Q HA 0.427 4.769 4.340 0.004 0.000 0.268 81 Q C -1.407 174.613 176.000 0.033 0.000 1.027 81 Q CA -0.706 55.122 55.803 0.041 0.000 0.759 81 Q CB 2.392 31.168 28.738 0.063 0.000 1.244 81 Q HN 0.404 nan 8.270 nan 0.000 0.464 82 K N 3.609 124.023 120.400 0.023 0.000 2.263 82 K HA 0.341 4.663 4.320 0.004 0.000 0.282 82 K C -0.737 175.876 176.600 0.022 0.000 1.089 82 K CA -0.150 56.147 56.287 0.017 0.000 0.907 82 K CB 0.582 33.088 32.500 0.010 0.000 1.148 82 K HN 0.392 nan 8.250 nan 0.000 0.470 83 L N 3.678 124.917 121.223 0.026 0.000 2.295 83 L HA 0.360 4.703 4.340 0.004 0.000 0.285 83 L C 0.223 177.102 176.870 0.015 0.000 1.035 83 L CA -0.819 54.035 54.840 0.024 0.000 0.806 83 L CB 1.157 43.237 42.059 0.036 0.000 1.214 83 L HN 0.342 nan 8.230 nan 0.000 0.426 84 K N 3.173 123.577 120.400 0.006 0.000 2.202 84 K HA 0.489 4.811 4.320 0.004 0.000 0.264 84 K C -0.617 175.977 176.600 -0.011 0.000 1.010 84 K CA -0.366 55.921 56.287 0.001 0.000 0.940 84 K CB 1.264 33.761 32.500 -0.004 0.000 0.983 84 K HN 0.436 nan 8.250 nan 0.000 0.475 85 I N 2.035 122.600 120.570 -0.008 0.000 2.321 85 I HA 0.089 4.262 4.170 0.004 0.000 0.291 85 I C 0.869 176.962 176.117 -0.040 0.000 0.998 85 I CA -0.125 61.162 61.300 -0.023 0.000 1.227 85 I CB 1.729 39.731 38.000 0.004 0.000 1.368 85 I HN 0.783 nan 8.210 nan 0.000 0.466 86 A N 6.079 128.858 122.820 -0.068 0.000 1.903 86 A HA 0.110 4.433 4.320 0.004 0.000 0.213 86 A C 0.900 178.439 177.584 -0.075 0.000 1.185 86 A CA 1.014 53.011 52.037 -0.068 0.000 0.628 86 A CB 0.227 19.178 19.000 -0.082 0.000 0.830 86 A HN 0.699 nan 8.150 nan 0.000 0.446 87 K N -1.061 119.286 120.400 -0.088 0.000 2.546 87 K HA 0.533 4.856 4.320 0.004 0.000 0.264 87 K C -2.082 174.433 176.600 -0.142 0.000 0.937 87 K CA -0.537 55.655 56.287 -0.158 0.000 0.833 87 K CB 2.261 34.630 32.500 -0.218 0.000 1.378 87 K HN -0.043 nan 8.250 nan 0.000 0.432 88 V N 4.058 123.836 119.914 -0.227 0.000 2.398 88 V HA 0.491 4.614 4.120 0.004 0.000 0.286 88 V C -1.046 174.932 176.094 -0.194 0.000 1.026 88 V CA -0.571 61.688 62.300 -0.067 0.000 0.868 88 V CB 0.991 32.807 31.823 -0.012 0.000 0.982 88 V HN 0.570 nan 8.190 nan 0.000 0.443 89 F N 3.810 123.890 119.950 0.218 0.000 2.359 89 F HA 0.441 4.971 4.527 0.004 0.000 0.370 89 F C 0.422 176.460 175.800 0.397 0.000 1.077 89 F CA -0.619 57.562 58.000 0.301 0.000 1.136 89 F CB 1.066 40.262 39.000 0.328 0.000 1.387 89 F HN 0.333 nan 8.300 nan 0.000 0.468 90 K N 2.638 123.257 120.400 0.365 0.000 2.276 90 K HA 0.112 4.434 4.320 0.004 0.000 0.283 90 K C 0.317 177.063 176.600 0.244 0.000 1.044 90 K CA -0.544 55.883 56.287 0.234 0.000 0.944 90 K CB 0.542 33.104 32.500 0.104 0.000 1.012 90 K HN 0.427 nan 8.250 nan 0.000 0.472 91 N N 2.544 121.202 118.700 -0.069 0.000 2.414 91 N HA -0.096 4.647 4.740 0.004 0.000 0.268 91 N C 0.760 176.215 175.510 -0.091 0.000 1.286 91 N CA 0.454 53.235 53.050 -0.448 0.000 0.896 91 N CB 0.890 38.725 38.487 -1.086 0.000 1.093 91 N HN 0.734 nan 8.380 nan 0.000 0.480 92 S N 3.614 119.338 115.700 0.041 0.000 2.465 92 S HA -0.104 4.369 4.470 0.004 0.000 0.241 92 S C 1.101 175.716 174.600 0.025 0.000 1.000 92 S CA 0.953 59.198 58.200 0.075 0.000 0.964 92 S CB -0.020 63.251 63.200 0.118 0.000 0.763 92 S HN 0.644 nan 8.310 nan 0.000 0.512 93 K N 0.075 120.448 120.400 -0.045 0.000 2.444 93 K HA 0.139 4.462 4.320 0.004 0.000 0.193 93 K C -0.090 176.492 176.600 -0.031 0.000 1.024 93 K CA -0.342 55.917 56.287 -0.046 0.000 1.077 93 K CB -0.062 32.393 32.500 -0.075 0.000 0.833 93 K HN 0.523 nan 8.250 nan 0.000 0.517 94 Y N 2.865 123.094 120.300 -0.119 0.000 2.721 94 Y HA -0.081 4.472 4.550 0.004 0.000 0.329 94 Y C -0.005 175.862 175.900 -0.055 0.000 1.211 94 Y CA -0.456 57.591 58.100 -0.087 0.000 1.512 94 Y CB 0.042 38.460 38.460 -0.069 0.000 1.249 94 Y HN -0.037 nan 8.280 nan 0.000 0.549 95 N N 4.036 122.334 118.700 -0.670 0.000 2.462 95 N HA 0.025 4.768 4.740 0.004 0.000 0.242 95 N C 0.486 175.437 175.510 -0.931 0.000 1.010 95 N CA 0.435 53.130 53.050 -0.592 0.000 0.939 95 N CB 1.033 39.329 38.487 -0.319 0.000 1.127 95 N HN 0.796 nan 8.380 nan 0.000 0.509 96 S N 3.237 118.482 115.700 -0.758 0.000 2.507 96 S HA -0.032 4.440 4.470 0.004 0.000 0.235 96 S C 1.678 176.097 174.600 -0.301 0.000 0.988 96 S CA 0.433 58.330 58.200 -0.506 0.000 0.944 96 S CB -0.041 63.056 63.200 -0.173 0.000 0.762 96 S HN 0.576 nan 8.310 nan 0.000 0.526 97 L N 1.243 122.293 121.223 -0.289 0.000 2.200 97 L HA 0.083 4.426 4.340 0.004 0.000 0.200 97 L C 2.944 179.661 176.870 -0.255 0.000 1.072 97 L CA 1.347 56.056 54.840 -0.218 0.000 0.787 97 L CB -0.954 41.006 42.059 -0.165 0.000 0.957 97 L HN 0.506 nan 8.230 nan 0.000 0.459 98 T N -3.154 111.242 114.554 -0.265 0.000 3.065 98 T HA 0.170 4.523 4.350 0.004 0.000 0.252 98 T C 1.202 175.717 174.700 -0.307 0.000 1.099 98 T CA 0.079 62.024 62.100 -0.259 0.000 1.063 98 T CB 0.073 68.839 68.868 -0.170 0.000 0.948 98 T HN 0.278 nan 8.240 nan 0.000 0.506 99 I N -0.542 119.836 120.570 -0.319 0.000 5.582 99 I HA -0.242 3.931 4.170 0.004 0.000 0.139 99 I C 0.181 176.309 176.117 0.018 0.000 1.814 99 I CA 0.146 61.338 61.300 -0.180 0.000 2.037 99 I CB -2.606 35.195 38.000 -0.332 0.000 3.362 99 I HN 0.312 nan 8.210 nan 0.000 0.169 100 N N 2.617 121.279 118.700 -0.063 0.000 2.503 100 N HA 0.213 4.956 4.740 0.004 0.000 0.267 100 N C 0.616 176.171 175.510 0.075 0.000 1.214 100 N CA 0.574 53.642 53.050 0.030 0.000 0.959 100 N CB 0.354 38.833 38.487 -0.014 0.000 1.142 100 N HN 0.248 nan 8.380 nan 0.000 0.455 101 N N 0.610 119.364 118.700 0.091 0.000 2.758 101 N HA -0.216 4.527 4.740 0.004 0.000 0.248 101 N C -1.287 174.319 175.510 0.160 0.000 1.076 101 N CA 0.459 53.544 53.050 0.058 0.000 0.696 101 N CB -1.223 37.253 38.487 -0.019 0.000 0.979 101 N HN 0.631 nan 8.380 nan 0.000 0.550 102 D N 1.246 121.775 120.400 0.216 0.000 2.600 102 D HA 0.365 5.008 4.640 0.004 0.000 0.226 102 D C 0.075 176.373 176.300 -0.004 0.000 1.119 102 D CA 0.152 54.254 54.000 0.171 0.000 1.051 102 D CB -0.284 40.690 40.800 0.291 0.000 1.106 102 D HN 0.511 nan 8.370 nan 0.000 0.491 103 I N 0.575 121.079 120.570 -0.110 0.000 2.752 103 I HA 0.376 4.549 4.170 0.004 0.000 0.295 103 I C -1.273 174.790 176.117 -0.091 0.000 1.219 103 I CA -0.306 60.945 61.300 -0.082 0.000 1.030 103 I CB 2.216 40.185 38.000 -0.052 0.000 1.259 103 I HN -0.090 nan 8.210 nan 0.000 0.423 104 T N 6.952 121.564 114.554 0.096 0.000 2.933 104 T HA 0.535 4.887 4.350 0.004 0.000 0.305 104 T C -1.000 173.933 174.700 0.388 0.000 1.092 104 T CA -0.449 61.802 62.100 0.252 0.000 1.008 104 T CB 1.783 70.721 68.868 0.116 0.000 1.102 104 T HN 0.344 nan 8.240 nan 0.000 0.469 105 L N 3.126 124.686 121.223 0.561 0.000 2.325 105 L HA 0.648 4.991 4.340 0.004 0.000 0.278 105 L C -0.861 176.327 176.870 0.530 0.000 1.023 105 L CA -0.942 54.208 54.840 0.517 0.000 0.811 105 L CB 1.288 43.613 42.059 0.444 0.000 1.249 105 L HN 0.385 nan 8.230 nan 0.000 0.431 106 L N 3.749 125.218 121.223 0.411 0.000 2.325 106 L HA 0.479 4.822 4.340 0.004 0.000 0.281 106 L C -0.307 176.567 176.870 0.007 0.000 1.004 106 L CA -0.533 54.445 54.840 0.229 0.000 0.823 106 L CB 1.701 43.845 42.059 0.142 0.000 1.236 106 L HN 0.495 nan 8.230 nan 0.000 0.415 107 K N 4.605 124.859 120.400 -0.243 0.000 2.253 107 K HA 0.519 4.841 4.320 0.004 0.000 0.277 107 K C -0.665 175.702 176.600 -0.389 0.000 1.053 107 K CA -0.582 55.212 56.287 -0.821 0.000 0.892 107 K CB 0.882 32.796 32.500 -0.977 0.000 1.102 107 K HN 0.540 nan 8.250 nan 0.000 0.469 108 L N 3.085 124.099 121.223 -0.348 0.000 2.439 108 L HA 0.069 4.412 4.340 0.004 0.000 0.269 108 L C 1.427 178.209 176.870 -0.148 0.000 1.179 108 L CA -0.313 54.426 54.840 -0.169 0.000 0.828 108 L CB 1.324 43.323 42.059 -0.100 0.000 1.106 108 L HN 0.790 nan 8.230 nan 0.000 0.467 109 S N 0.034 115.683 115.700 -0.085 0.000 2.371 109 S HA -0.052 4.421 4.470 0.004 0.000 0.224 109 S C 0.622 175.191 174.600 -0.053 0.000 1.029 109 S CA 0.964 59.126 58.200 -0.063 0.000 0.978 109 S CB 0.093 63.269 63.200 -0.039 0.000 0.833 109 S HN 0.755 nan 8.310 nan 0.000 0.466 110 T N 1.865 116.394 114.554 -0.041 0.000 2.824 110 T HA 0.662 5.014 4.350 0.004 0.000 0.282 110 T C -0.260 174.425 174.700 -0.026 0.000 0.993 110 T CA -0.609 61.474 62.100 -0.028 0.000 0.967 110 T CB 1.685 70.546 68.868 -0.011 0.000 0.960 110 T HN 0.300 nan 8.240 nan 0.000 0.441 111 A N 2.503 125.304 122.820 -0.032 0.000 2.507 111 A HA 0.604 4.927 4.320 0.004 0.000 0.235 111 A C 0.768 178.355 177.584 0.005 0.000 1.070 111 A CA -0.318 51.700 52.037 -0.033 0.000 0.768 111 A CB -0.167 18.797 19.000 -0.060 0.000 1.011 111 A HN 1.082 nan 8.150 nan 0.000 0.502 112 A N 1.611 124.456 122.820 0.042 0.000 2.340 112 A HA 0.544 4.867 4.320 0.004 0.000 0.268 112 A C 0.518 178.185 177.584 0.139 0.000 1.100 112 A CA -0.215 51.905 52.037 0.138 0.000 0.803 112 A CB 0.114 19.288 19.000 0.290 0.000 1.043 112 A HN 0.945 nan 8.150 nan 0.000 0.488 113 S N 2.326 118.128 115.700 0.170 0.000 2.409 113 S HA 0.408 4.881 4.470 0.004 0.000 0.308 113 S C -0.398 174.397 174.600 0.325 0.000 1.080 113 S CA -0.276 58.023 58.200 0.164 0.000 1.081 113 S CB -0.446 62.817 63.200 0.104 0.000 1.009 113 S HN 0.419 nan 8.310 nan 0.000 0.502 114 F N 3.163 123.144 119.950 0.051 0.000 2.553 114 F HA 0.380 4.910 4.527 0.005 0.000 0.356 114 F C 1.446 177.273 175.800 0.045 0.000 1.142 114 F CA -0.537 57.498 58.000 0.058 0.000 1.322 114 F CB 0.355 39.396 39.000 0.069 0.000 1.126 114 F HN 0.656 nan 8.300 nan 0.000 0.599 115 S N 1.201 116.992 115.700 0.151 0.000 2.815 115 S HA 0.191 4.663 4.470 0.004 0.000 0.296 115 S C 0.477 175.083 174.600 0.011 0.000 1.224 115 S CA -0.653 57.594 58.200 0.078 0.000 0.938 115 S CB 1.331 64.568 63.200 0.061 0.000 1.285 115 S HN 0.541 nan 8.310 nan 0.000 0.549 116 Q N 0.450 120.247 119.800 -0.004 0.000 2.226 116 Q HA -0.084 4.259 4.340 0.004 0.000 0.204 116 Q C 1.430 177.384 176.000 -0.076 0.000 0.975 116 Q CA 2.085 57.866 55.803 -0.037 0.000 0.866 116 Q CB -0.384 28.332 28.738 -0.037 0.000 0.915 116 Q HN 0.900 nan 8.270 nan 0.000 0.440 117 T N -3.827 110.686 114.554 -0.068 0.000 3.044 117 T HA 0.326 4.679 4.350 0.004 0.000 0.260 117 T C -0.072 174.568 174.700 -0.099 0.000 1.019 117 T CA -0.380 61.665 62.100 -0.092 0.000 0.921 117 T CB 0.862 69.697 68.868 -0.055 0.000 1.053 117 T HN -0.048 nan 8.240 nan 0.000 0.533 118 V N 2.524 122.369 119.914 -0.114 0.000 2.488 118 V HA 0.736 4.859 4.120 0.004 0.000 0.293 118 V C -0.511 175.275 176.094 -0.513 0.000 1.027 118 V CA -0.480 61.708 62.300 -0.186 0.000 0.862 118 V CB 1.331 33.131 31.823 -0.038 0.000 1.008 118 V HN 0.692 nan 8.190 nan 0.000 0.428 119 S N 3.342 118.655 115.700 -0.646 0.000 2.672 119 S HA 0.954 5.426 4.470 0.004 0.000 0.271 119 S C -0.518 173.796 174.600 -0.478 0.000 1.171 119 S CA -0.333 57.245 58.200 -1.037 0.000 0.817 119 S CB 1.922 64.925 63.200 -0.329 0.000 1.150 119 S HN 1.345 nan 8.310 nan 0.000 0.478 120 A N 0.192 122.933 122.820 -0.132 0.000 2.295 120 A HA 0.826 5.148 4.320 0.004 0.000 0.318 120 A C -0.126 177.567 177.584 0.181 0.000 1.134 120 A CA -0.762 51.395 52.037 0.200 0.000 0.827 120 A CB 1.087 20.294 19.000 0.345 0.000 1.136 120 A HN 1.408 nan 8.150 nan 0.000 0.493 121 V N 1.006 120.889 119.914 -0.051 0.000 2.743 121 V HA 0.412 4.535 4.120 0.004 0.000 0.301 121 V C 0.153 176.097 176.094 -0.250 0.000 1.057 121 V CA -0.621 61.329 62.300 -0.583 0.000 1.006 121 V CB 1.072 32.256 31.823 -1.066 0.000 1.024 121 V HN 1.032 nan 8.190 nan 0.000 0.473 122 c N 5.679 124.138 118.600 -0.235 0.000 2.534 122 c HA 0.507 5.080 4.570 0.004 0.000 0.385 122 c C 0.211 174.248 174.090 -0.089 0.000 1.264 122 c CA -0.740 55.533 56.329 -0.093 0.000 2.342 122 c CB 0.075 42.558 42.510 -0.044 0.000 2.564 122 c HN 0.754 nan 8.230 nan 0.000 0.603 123 L N 4.318 125.518 121.223 -0.038 0.000 2.334 123 L HA 0.498 4.841 4.340 0.004 0.000 0.275 123 L C -1.743 175.138 176.870 0.019 0.000 1.036 123 L CA -1.227 53.600 54.840 -0.021 0.000 0.807 123 L CB 1.464 43.512 42.059 -0.018 0.000 1.231 123 L HN 0.508 nan 8.230 nan 0.000 0.438 124 P HA 0.248 nan 4.420 nan 0.000 0.281 124 P C -0.993 176.357 177.300 0.083 0.000 1.281 124 P CA -0.536 62.639 63.100 0.126 0.000 0.811 124 P CB 1.289 33.130 31.700 0.235 0.000 1.154 125 S N -0.469 115.279 115.700 0.081 0.000 2.585 125 S HA 0.372 4.844 4.470 0.004 0.000 0.277 125 S C 1.511 176.147 174.600 0.059 0.000 1.241 125 S CA -0.122 58.104 58.200 0.044 0.000 1.041 125 S CB 1.104 64.313 63.200 0.015 0.000 0.987 125 S HN 0.568 nan 8.310 nan 0.000 0.512 126 A N 2.200 125.047 122.820 0.046 0.000 2.032 126 A HA -0.127 4.196 4.320 0.004 0.000 0.221 126 A C 2.049 179.661 177.584 0.047 0.000 1.165 126 A CA 2.020 54.089 52.037 0.053 0.000 0.645 126 A CB -0.778 18.248 19.000 0.043 0.000 0.807 126 A HN 0.856 nan 8.150 nan 0.000 0.453 127 S N -0.644 115.071 115.700 0.026 0.000 2.575 127 S HA 0.070 4.543 4.470 0.004 0.000 0.215 127 S C 0.037 174.629 174.600 -0.014 0.000 0.966 127 S CA -0.265 57.940 58.200 0.008 0.000 0.911 127 S CB -0.231 62.965 63.200 -0.006 0.000 0.780 127 S HN 0.416 nan 8.310 nan 0.000 0.514 128 D N 2.991 123.387 120.400 -0.007 0.000 2.472 128 D HA 0.220 4.863 4.640 0.004 0.000 0.237 128 D C -0.649 175.584 176.300 -0.110 0.000 1.141 128 D CA 0.753 54.691 54.000 -0.104 0.000 0.875 128 D CB 0.778 41.547 40.800 -0.052 0.000 1.192 128 D HN 0.410 nan 8.370 nan 0.000 0.450 129 D N 1.435 121.670 120.400 -0.276 0.000 2.462 129 D HA 0.206 4.848 4.640 0.004 0.000 0.245 129 D C -1.276 174.840 176.300 -0.307 0.000 1.122 129 D CA -0.556 53.344 54.000 -0.167 0.000 0.864 129 D CB 0.071 40.808 40.800 -0.104 0.000 1.098 129 D HN 0.037 nan 8.370 nan 0.000 0.541 130 F N 2.837 122.780 119.950 -0.012 0.000 2.350 130 F HA 0.514 5.044 4.527 0.005 0.000 0.365 130 F C 1.094 176.886 175.800 -0.013 0.000 1.122 130 F CA -0.905 57.085 58.000 -0.017 0.000 1.139 130 F CB 1.018 40.006 39.000 -0.021 0.000 1.220 130 F HN 0.373 nan 8.300 nan 0.000 0.499 131 A N 2.657 125.528 122.820 0.085 0.000 2.555 131 A HA 0.476 4.798 4.320 0.004 0.000 0.233 131 A C 0.505 178.130 177.584 0.068 0.000 1.060 131 A CA -0.105 51.965 52.037 0.055 0.000 0.759 131 A CB -0.117 18.895 19.000 0.020 0.000 0.995 131 A HN 0.897 nan 8.150 nan 0.000 0.506 132 A N 0.958 123.807 122.820 0.048 0.000 2.462 132 A HA 0.521 4.844 4.320 0.004 0.000 0.243 132 A C 1.613 179.217 177.584 0.032 0.000 1.076 132 A CA 0.733 52.794 52.037 0.040 0.000 0.773 132 A CB -0.443 18.577 19.000 0.034 0.000 1.010 132 A HN 2.760 nan 8.150 nan 0.000 0.493 133 G N 1.316 110.132 108.800 0.027 0.000 2.234 133 G HA2 -0.208 3.755 3.960 0.004 0.000 0.235 133 G HA3 -0.208 3.755 3.960 0.004 0.000 0.235 133 G C 0.526 175.442 174.900 0.028 0.000 0.997 133 G CA 0.342 45.456 45.100 0.023 0.000 0.623 133 G HN 1.212 nan 8.290 nan 0.000 0.514 134 T N 2.637 117.215 114.554 0.040 0.000 2.902 134 T HA 0.426 4.778 4.350 0.004 0.000 0.301 134 T C 0.596 175.321 174.700 0.042 0.000 1.012 134 T CA 1.081 63.212 62.100 0.053 0.000 1.151 134 T CB 0.977 69.901 68.868 0.094 0.000 0.946 134 T HN 0.255 nan 8.240 nan 0.000 0.542 135 T N 4.383 118.968 114.554 0.051 0.000 2.729 135 T HA 0.345 4.698 4.350 0.004 0.000 0.296 135 T C 0.360 175.115 174.700 0.092 0.000 0.928 135 T CA -0.544 61.591 62.100 0.058 0.000 1.045 135 T CB -0.240 68.669 68.868 0.069 0.000 0.902 135 T HN 0.687 nan 8.240 nan 0.000 0.500 136 c N 2.952 121.586 118.600 0.057 0.000 2.857 136 c HA 0.892 5.465 4.570 0.004 0.000 0.397 136 c C 0.032 174.144 174.090 0.037 0.000 1.558 136 c CA -0.666 55.713 56.329 0.084 0.000 1.694 136 c CB 1.488 43.975 42.510 -0.038 0.000 2.120 136 c HN 0.591 nan 8.230 nan 0.000 0.475 137 V N 0.183 120.070 119.914 -0.045 0.000 2.841 137 V HA 0.709 4.832 4.120 0.004 0.000 0.310 137 V C -0.360 175.523 176.094 -0.352 0.000 1.090 137 V CA -0.165 62.000 62.300 -0.225 0.000 0.930 137 V CB 1.971 33.553 31.823 -0.402 0.000 1.014 137 V HN 0.967 nan 8.190 nan 0.000 0.425 138 T N 2.240 116.591 114.554 -0.338 0.000 2.893 138 T HA 0.822 5.175 4.350 0.004 0.000 0.291 138 T C -0.508 173.957 174.700 -0.391 0.000 1.028 138 T CA 0.032 61.953 62.100 -0.299 0.000 0.995 138 T CB 1.649 70.451 68.868 -0.111 0.000 1.051 138 T HN 1.097 nan 8.240 nan 0.000 0.470 139 T N 0.223 114.537 114.554 -0.400 0.000 2.883 139 T HA 0.934 5.287 4.350 0.004 0.000 0.296 139 T C -0.001 174.504 174.700 -0.325 0.000 1.117 139 T CA -0.310 61.510 62.100 -0.468 0.000 1.006 139 T CB 1.629 70.038 68.868 -0.764 0.000 1.191 139 T HN 1.259 nan 8.240 nan 0.000 0.508 140 G N -0.645 107.908 108.800 -0.411 0.000 2.321 140 G HA2 0.336 4.298 3.960 0.004 0.000 0.298 140 G HA3 0.336 4.298 3.960 0.004 0.000 0.298 140 G C -1.351 173.301 174.900 -0.413 0.000 1.385 140 G CA -0.837 44.064 45.100 -0.332 0.000 0.856 140 G HN 0.693 nan 8.290 nan 0.000 0.584 141 W N 1.282 122.481 121.300 -0.169 0.000 3.067 141 W HA 0.405 5.067 4.660 0.003 0.000 0.417 141 W C 1.109 177.506 176.519 -0.204 0.000 1.029 141 W CA -0.146 57.026 57.345 -0.288 0.000 1.992 141 W CB 0.864 29.959 29.460 -0.609 0.000 1.122 141 W HN 0.830 nan 8.180 nan 0.000 0.681 142 G N 0.886 109.734 108.800 0.081 0.000 2.667 142 G HA2 0.308 4.271 3.960 0.004 0.000 0.250 142 G HA3 0.308 4.271 3.960 0.004 0.000 0.250 142 G C 0.085 175.023 174.900 0.063 0.000 1.212 142 G CA -0.658 44.502 45.100 0.099 0.000 0.874 142 G HN -0.011 nan 8.290 nan 0.000 0.561 143 L N -0.141 121.132 121.223 0.083 0.000 2.543 143 L HA 0.032 4.375 4.340 0.004 0.000 0.285 143 L C 1.964 178.869 176.870 0.057 0.000 1.236 143 L CA 0.525 55.407 54.840 0.071 0.000 0.871 143 L CB 0.464 42.584 42.059 0.101 0.000 1.121 143 L HN 0.790 nan 8.230 nan 0.000 0.501 144 T N -0.808 113.769 114.554 0.040 0.000 3.069 144 T HA 0.144 4.497 4.350 0.004 0.000 0.252 144 T C 0.521 175.249 174.700 0.046 0.000 1.053 144 T CA -0.256 61.862 62.100 0.030 0.000 0.964 144 T CB 0.162 69.036 68.868 0.011 0.000 1.005 144 T HN 0.610 nan 8.240 nan 0.000 0.532 145 R N -0.230 120.307 120.500 0.063 0.000 2.515 145 R HA 0.459 4.801 4.340 0.004 0.000 0.278 145 R C -1.853 174.513 176.300 0.109 0.000 1.107 145 R CA -0.830 55.317 56.100 0.079 0.000 0.945 145 R CB 1.422 31.748 30.300 0.045 0.000 1.219 145 R HN 0.232 nan 8.270 nan 0.000 0.434 150 N N 0.146 118.853 118.700 0.012 0.000 2.459 150 N HA 0.730 5.472 4.740 0.004 0.000 0.288 150 N C 0.293 175.809 175.510 0.010 0.000 1.186 150 N CA 0.562 53.625 53.050 0.021 0.000 0.917 150 N CB 1.525 40.022 38.487 0.017 0.000 1.219 150 N HN 0.933 nan 8.380 nan 0.000 0.525 151 T N -0.295 114.258 114.554 -0.002 0.000 2.898 151 T HA 0.355 4.707 4.350 0.004 0.000 0.301 151 T C -2.292 172.396 174.700 -0.019 0.000 1.049 151 T CA -1.151 60.941 62.100 -0.012 0.000 1.095 151 T CB 0.682 69.516 68.868 -0.057 0.000 0.976 151 T HN 0.416 nan 8.240 nan 0.000 0.539 152 P HA 0.240 nan 4.420 nan 0.000 0.271 152 P C 0.005 177.316 177.300 0.017 0.000 1.218 152 P CA -0.314 62.785 63.100 -0.002 0.000 0.780 152 P CB 0.800 32.493 31.700 -0.012 0.000 0.901 153 D N 1.443 121.826 120.400 -0.029 0.000 2.123 153 D HA -0.039 4.603 4.640 0.004 0.000 0.200 153 D C 0.762 177.043 176.300 -0.032 0.000 0.976 153 D CA 1.305 55.267 54.000 -0.063 0.000 0.831 153 D CB 0.140 40.887 40.800 -0.089 0.000 0.974 153 D HN 0.399 nan 8.370 nan 0.000 0.469 154 R N 0.587 121.001 120.500 -0.143 0.000 2.349 154 R HA 0.306 4.648 4.340 0.004 0.000 0.299 154 R C -0.228 175.845 176.300 -0.379 0.000 1.027 154 R CA -1.021 54.807 56.100 -0.453 0.000 0.958 154 R CB 1.353 31.282 30.300 -0.618 0.000 1.047 154 R HN -0.022 nan 8.270 nan 0.000 0.468 155 L N 2.818 123.687 121.223 -0.591 0.000 2.578 155 L HA -0.093 4.250 4.340 0.004 0.000 0.279 155 L C -0.307 176.323 176.870 -0.400 0.000 1.227 155 L CA 1.157 55.477 54.840 -0.867 0.000 0.900 155 L CB 0.318 41.959 42.059 -0.697 0.000 1.144 155 L HN 0.469 nan 8.230 nan 0.000 0.496 156 Q N 4.431 123.975 119.800 -0.427 0.000 2.297 156 Q HA 0.521 4.863 4.340 0.004 0.000 0.269 156 Q C -1.047 174.817 176.000 -0.226 0.000 1.051 156 Q CA -0.598 55.074 55.803 -0.218 0.000 0.869 156 Q CB 2.012 30.647 28.738 -0.171 0.000 1.346 156 Q HN 0.775 nan 8.270 nan 0.000 0.457 157 Q N -1.085 118.634 119.800 -0.136 0.000 2.462 157 Q HA 0.900 5.243 4.340 0.004 0.000 0.285 157 Q C -1.759 174.177 176.000 -0.106 0.000 1.035 157 Q CA -1.221 54.478 55.803 -0.174 0.000 0.799 157 Q CB 2.248 30.955 28.738 -0.052 0.000 1.452 157 Q HN 0.553 nan 8.270 nan 0.000 0.404 158 A N 0.943 123.684 122.820 -0.131 0.000 2.540 158 A HA 0.652 4.974 4.320 0.004 0.000 0.297 158 A C -1.225 176.316 177.584 -0.071 0.000 1.056 158 A CA -0.672 51.323 52.037 -0.070 0.000 0.700 158 A CB 2.175 21.142 19.000 -0.057 0.000 1.280 158 A HN 0.566 nan 8.150 nan 0.000 0.398 159 S N 1.130 116.818 115.700 -0.020 0.000 2.554 159 S HA 0.804 5.277 4.470 0.004 0.000 0.278 159 S C -0.278 174.317 174.600 -0.008 0.000 1.242 159 S CA -0.422 57.779 58.200 0.002 0.000 1.051 159 S CB 0.629 63.859 63.200 0.050 0.000 0.986 159 S HN 1.227 nan 8.310 nan 0.000 0.502 160 L N 0.340 121.552 121.223 -0.018 0.000 2.582 160 L HA 0.779 5.122 4.340 0.004 0.000 0.257 160 L C -3.194 173.660 176.870 -0.026 0.000 0.974 160 L CA -2.352 52.474 54.840 -0.023 0.000 0.851 160 L CB 2.354 44.392 42.059 -0.036 0.000 1.424 160 L HN 0.331 nan 8.230 nan 0.000 0.412 161 P HA 0.367 nan 4.420 nan 0.000 0.286 161 P C -0.864 176.420 177.300 -0.028 0.000 1.261 161 P CA -0.465 62.628 63.100 -0.012 0.000 0.821 161 P CB 1.820 33.522 31.700 0.002 0.000 1.013 162 L N 2.522 123.731 121.223 -0.023 0.000 2.397 162 L HA 0.298 4.641 4.340 0.004 0.000 0.271 162 L C 0.653 177.524 176.870 0.003 0.000 1.148 162 L CA -0.461 54.362 54.840 -0.028 0.000 0.825 162 L CB -0.013 42.041 42.059 -0.008 0.000 1.117 162 L HN 0.242 nan 8.230 nan 0.000 0.456 163 L N 1.658 122.889 121.223 0.013 0.000 2.334 163 L HA 0.414 4.756 4.340 0.004 0.000 0.273 163 L C 0.407 177.301 176.870 0.040 0.000 1.013 163 L CA -0.611 54.247 54.840 0.030 0.000 0.816 163 L CB 1.984 44.067 42.059 0.041 0.000 1.278 163 L HN 0.688 nan 8.230 nan 0.000 0.431 164 S N 0.228 115.953 115.700 0.042 0.000 2.593 164 S HA 0.142 4.615 4.470 0.004 0.000 0.269 164 S C 0.752 175.387 174.600 0.058 0.000 1.334 164 S CA -0.703 57.525 58.200 0.046 0.000 1.015 164 S CB 0.797 64.021 63.200 0.040 0.000 0.912 164 S HN 0.616 nan 8.310 nan 0.000 0.541 165 N N 1.538 120.274 118.700 0.060 0.000 2.223 165 N HA -0.092 4.651 4.740 0.004 0.000 0.185 165 N C 1.625 177.182 175.510 0.078 0.000 1.016 165 N CA 1.621 54.714 53.050 0.073 0.000 0.863 165 N CB -0.973 37.554 38.487 0.067 0.000 0.983 165 N HN 0.741 nan 8.380 nan 0.000 0.429 166 T N 1.186 115.778 114.554 0.062 0.000 2.746 166 T HA -0.060 4.293 4.350 0.004 0.000 0.267 166 T C 1.667 176.405 174.700 0.063 0.000 1.039 166 T CA 1.074 63.208 62.100 0.058 0.000 1.142 166 T CB -0.269 68.625 68.868 0.043 0.000 0.866 166 T HN 0.412 nan 8.240 nan 0.000 0.444 167 N N -0.239 118.497 118.700 0.060 0.000 2.270 167 N HA -0.058 4.685 4.740 0.004 0.000 0.181 167 N C 2.125 177.686 175.510 0.086 0.000 1.016 167 N CA 0.736 53.822 53.050 0.059 0.000 0.870 167 N CB -0.174 38.339 38.487 0.044 0.000 0.979 167 N HN 0.317 nan 8.380 nan 0.000 0.431 168 c N 1.825 120.492 118.600 0.111 0.000 2.453 168 c HA -0.013 4.559 4.570 0.004 0.000 0.277 168 c C 2.226 176.456 174.090 0.232 0.000 1.262 168 c CA 0.891 57.328 56.329 0.180 0.000 1.718 168 c CB -0.696 41.924 42.510 0.183 0.000 2.031 168 c HN 0.363 nan 8.230 nan 0.000 0.480 169 K N 0.354 120.864 120.400 0.183 0.000 2.360 169 K HA -0.123 4.200 4.320 0.004 0.000 0.201 169 K C 1.960 178.636 176.600 0.127 0.000 1.046 169 K CA 1.043 57.437 56.287 0.177 0.000 0.945 169 K CB -0.147 32.430 32.500 0.128 0.000 0.750 169 K HN 0.564 nan 8.250 nan 0.000 0.464 170 K N -0.433 120.029 120.400 0.103 0.000 2.281 170 K HA -0.191 4.131 4.320 0.004 0.000 0.203 170 K C 1.530 178.165 176.600 0.059 0.000 1.046 170 K CA 1.279 57.606 56.287 0.066 0.000 0.938 170 K CB -0.012 32.523 32.500 0.058 0.000 0.737 170 K HN 0.230 nan 8.250 nan 0.000 0.458 171 Y N -1.456 118.795 120.300 -0.083 0.000 2.447 171 Y HA 0.014 4.566 4.550 0.004 0.000 0.286 171 Y C 1.078 176.838 175.900 -0.235 0.000 1.153 171 Y CA 0.370 58.318 58.100 -0.254 0.000 1.241 171 Y CB 0.037 38.212 38.460 -0.475 0.000 1.284 171 Y HN -0.022 nan 8.280 nan 0.000 0.520 172 W N 1.502 122.896 121.300 0.157 0.000 3.180 172 W HA 0.299 4.961 4.660 0.003 0.000 0.254 172 W C 1.700 178.264 176.519 0.075 0.000 1.318 172 W CA 0.682 58.103 57.345 0.127 0.000 1.608 172 W CB -0.363 29.257 29.460 0.266 0.000 1.124 172 W HN 0.446 nan 8.180 nan 0.000 0.694 173 G N 1.491 110.421 108.800 0.218 0.000 2.652 173 G HA2 -0.502 3.461 3.960 0.004 0.000 0.318 173 G HA3 -0.502 3.461 3.960 0.004 0.000 0.318 173 G C 1.024 176.022 174.900 0.164 0.000 1.295 173 G CA 1.866 47.052 45.100 0.142 0.000 0.999 173 G HN 0.307 nan 8.290 nan 0.000 0.548 174 T N -0.918 113.706 114.554 0.116 0.000 3.163 174 T HA 0.192 4.544 4.350 0.004 0.000 0.260 174 T C 1.763 176.528 174.700 0.108 0.000 1.156 174 T CA 1.586 63.743 62.100 0.095 0.000 1.072 174 T CB 0.060 68.960 68.868 0.054 0.000 0.937 174 T HN 0.462 nan 8.240 nan 0.000 0.528 175 K N 0.846 121.347 120.400 0.169 0.000 2.366 175 K HA 0.184 4.507 4.320 0.004 0.000 0.198 175 K C 0.615 177.347 176.600 0.220 0.000 1.044 175 K CA 0.102 56.480 56.287 0.151 0.000 0.973 175 K CB -0.063 32.560 32.500 0.205 0.000 0.767 175 K HN 0.428 nan 8.250 nan 0.000 0.475 176 I N 3.069 123.782 120.570 0.238 0.000 2.379 176 I HA 0.040 4.213 4.170 0.004 0.000 0.290 176 I C 0.595 176.794 176.117 0.136 0.000 1.063 176 I CA -0.253 61.171 61.300 0.206 0.000 1.351 176 I CB 0.370 38.481 38.000 0.184 0.000 1.410 176 I HN -0.177 nan 8.210 nan 0.000 0.505 177 K N 4.638 125.113 120.400 0.125 0.000 2.210 177 K HA 0.230 4.553 4.320 0.004 0.000 0.236 177 K C 0.883 177.526 176.600 0.073 0.000 1.016 177 K CA -0.562 55.774 56.287 0.081 0.000 0.913 177 K CB 0.763 33.299 32.500 0.060 0.000 1.141 177 K HN 0.443 nan 8.250 nan 0.000 0.462 178 D N -0.265 120.168 120.400 0.054 0.000 2.218 178 D HA -0.118 4.525 4.640 0.004 0.000 0.204 178 D C 0.804 177.137 176.300 0.055 0.000 0.976 178 D CA 1.038 55.069 54.000 0.051 0.000 0.853 178 D CB -0.131 40.693 40.800 0.039 0.000 0.939 178 D HN 0.394 nan 8.370 nan 0.000 0.481 179 A N -0.477 122.377 122.820 0.057 0.000 2.532 179 A HA 0.431 4.754 4.320 0.004 0.000 0.273 179 A C 0.372 178.003 177.584 0.077 0.000 1.342 179 A CA -0.430 51.643 52.037 0.060 0.000 0.929 179 A CB -0.546 18.482 19.000 0.047 0.000 1.051 179 A HN 0.181 nan 8.150 nan 0.000 0.521 180 M N -0.191 119.457 119.600 0.080 0.000 2.535 180 M HA 0.610 5.092 4.480 0.004 0.000 0.314 180 M C -0.893 175.442 176.300 0.059 0.000 1.153 180 M CA -0.371 54.975 55.300 0.077 0.000 0.924 180 M CB 2.521 35.178 32.600 0.094 0.000 1.710 180 M HN 0.257 nan 8.290 nan 0.000 0.451 181 I N 1.029 121.631 120.570 0.054 0.000 2.619 181 I HA 0.564 4.737 4.170 0.004 0.000 0.292 181 I C -1.419 174.739 176.117 0.068 0.000 1.100 181 I CA -0.486 60.843 61.300 0.050 0.000 1.043 181 I CB 1.503 39.521 38.000 0.029 0.000 1.239 181 I HN 0.788 nan 8.210 nan 0.000 0.420 182 c N 5.845 124.477 118.600 0.054 0.000 2.397 182 c HA 1.006 5.579 4.570 0.004 0.000 0.343 182 c C 0.240 174.362 174.090 0.055 0.000 1.188 182 c CA -0.289 56.088 56.329 0.080 0.000 1.992 182 c CB 0.684 43.238 42.510 0.073 0.000 2.358 182 c HN 0.862 nan 8.230 nan 0.000 0.518 183 A N 1.139 124.017 122.820 0.097 0.000 2.604 183 A HA 0.940 5.263 4.320 0.004 0.000 0.295 183 A C -0.121 177.507 177.584 0.074 0.000 1.067 183 A CA 0.429 52.468 52.037 0.004 0.000 0.683 183 A CB 0.895 19.764 19.000 -0.218 0.000 1.281 183 A HN 2.578 nan 8.150 nan 0.000 0.407 184 G N -0.095 108.718 108.800 0.022 0.000 2.443 184 G HA2 0.501 4.464 3.960 0.004 0.000 0.209 184 G HA3 0.501 4.464 3.960 0.004 0.000 0.209 184 G C 0.842 175.743 174.900 0.001 0.000 1.176 184 G CA 1.571 46.686 45.100 0.025 0.000 1.074 184 G HN 2.670 nan 8.290 nan 0.000 0.577 185 A N -1.970 120.840 122.820 -0.017 0.000 2.847 185 A HA 0.087 4.410 4.320 0.004 0.000 0.263 185 A C 1.646 179.205 177.584 -0.041 0.000 1.391 185 A CA 2.748 54.751 52.037 -0.057 0.000 0.866 185 A CB -2.166 16.788 19.000 -0.077 0.000 1.057 185 A HN 2.636 nan 8.150 nan 0.000 0.673 186 S N -2.447 113.239 115.700 -0.023 0.000 2.663 186 S HA 0.514 4.987 4.470 0.004 0.000 0.243 186 S C 1.638 176.231 174.600 -0.013 0.000 1.009 186 S CA 1.017 59.207 58.200 -0.016 0.000 0.988 186 S CB 0.385 63.581 63.200 -0.008 0.000 0.896 186 S HN 2.445 nan 8.310 nan 0.000 0.502 187 G N 0.402 109.192 108.800 -0.016 0.000 2.184 187 G HA2 -0.164 3.799 3.960 0.004 0.000 0.206 187 G HA3 -0.164 3.799 3.960 0.004 0.000 0.206 187 G C -0.004 174.893 174.900 -0.005 0.000 0.995 187 G CA -0.012 45.081 45.100 -0.010 0.000 0.651 187 G HN 1.590 nan 8.290 nan 0.000 0.511 188 V N -2.649 117.263 119.914 -0.005 0.000 3.102 188 V HA 0.988 5.110 4.120 0.004 0.000 0.312 188 V C -0.287 175.810 176.094 0.006 0.000 1.135 188 V CA -0.191 62.109 62.300 0.000 0.000 1.022 188 V CB 1.888 33.710 31.823 -0.003 0.000 1.056 188 V HN 1.536 nan 8.190 nan 0.000 0.436 189 S N 0.679 116.385 115.700 0.012 0.000 2.548 189 S HA 0.596 5.068 4.470 0.004 0.000 0.278 189 S C -0.552 174.061 174.600 0.021 0.000 1.150 189 S CA -0.285 57.926 58.200 0.017 0.000 0.907 189 S CB 1.886 65.090 63.200 0.006 0.000 1.108 189 S HN 1.257 nan 8.310 nan 0.000 0.459 190 S N 2.147 117.860 115.700 0.021 0.000 2.585 190 S HA 0.621 5.093 4.470 0.004 0.000 0.273 190 S C -0.104 174.508 174.600 0.019 0.000 1.339 190 S CA -0.340 57.869 58.200 0.014 0.000 1.028 190 S CB 0.884 64.069 63.200 -0.024 0.000 0.906 190 S HN 0.840 nan 8.310 nan 0.000 0.528 191 c N 2.561 121.191 118.600 0.050 0.000 3.340 191 c HA 0.470 5.043 4.570 0.004 0.000 0.333 191 c C -1.004 173.160 174.090 0.124 0.000 1.464 191 c CA -1.052 55.331 56.329 0.091 0.000 1.337 191 c CB 1.054 43.634 42.510 0.117 0.000 1.740 191 c HN 0.811 nan 8.230 nan 0.000 0.450 192 M N 2.491 122.193 119.600 0.169 0.000 2.487 192 M HA 0.196 4.678 4.480 0.004 0.000 0.398 192 M C 1.317 177.725 176.300 0.179 0.000 1.685 192 M CA 1.547 56.957 55.300 0.184 0.000 0.988 192 M CB -1.658 31.065 32.600 0.205 0.000 2.129 192 M HN 1.259 nan 8.290 nan 0.000 0.485 193 G N 2.880 111.799 108.800 0.198 0.000 2.253 193 G HA2 -0.180 3.782 3.960 0.004 0.000 0.209 193 G HA3 -0.180 3.782 3.960 0.004 0.000 0.209 193 G C 0.596 175.664 174.900 0.280 0.000 0.997 193 G CA 0.052 45.306 45.100 0.257 0.000 0.640 193 G HN 0.569 nan 8.290 nan 0.000 0.496 194 D N 1.051 121.557 120.400 0.177 0.000 2.305 194 D HA 0.175 4.818 4.640 0.004 0.000 0.206 194 D C 1.459 177.822 176.300 0.105 0.000 0.974 194 D CA 0.762 54.839 54.000 0.130 0.000 0.871 194 D CB 0.055 40.896 40.800 0.070 0.000 0.947 194 D HN 0.339 nan 8.370 nan 0.000 0.516 195 S N -0.666 115.105 115.700 0.119 0.000 2.561 195 S HA 0.242 4.715 4.470 0.004 0.000 0.294 195 S C 1.554 176.163 174.600 0.015 0.000 1.294 195 S CA 0.958 59.225 58.200 0.112 0.000 1.055 195 S CB 0.823 64.179 63.200 0.259 0.000 0.819 195 S HN 0.491 nan 8.310 nan 0.000 0.503 196 G N 2.047 110.847 108.800 -0.000 0.000 2.253 196 G HA2 -0.209 3.753 3.960 0.004 0.000 0.251 196 G HA3 -0.209 3.753 3.960 0.004 0.000 0.251 196 G C 0.485 175.408 174.900 0.037 0.000 0.998 196 G CA 0.132 45.219 45.100 -0.022 0.000 0.621 196 G HN 1.146 nan 8.290 nan 0.000 0.524 197 G N 1.015 109.850 108.800 0.059 0.000 2.653 197 G HA2 0.567 4.529 3.960 0.004 0.000 0.265 197 G HA3 0.567 4.529 3.960 0.004 0.000 0.265 197 G C -1.870 173.074 174.900 0.073 0.000 1.237 197 G CA -0.057 45.085 45.100 0.070 0.000 0.946 197 G HN 0.437 nan 8.290 nan 0.000 0.522 198 P HA 0.358 nan 4.420 nan 0.000 0.287 198 P C -1.215 176.050 177.300 -0.059 0.000 1.270 198 P CA -0.597 62.512 63.100 0.015 0.000 0.844 198 P CB 2.088 33.826 31.700 0.063 0.000 1.068 199 L N 4.021 125.176 121.223 -0.113 0.000 2.377 199 L HA 0.405 4.748 4.340 0.004 0.000 0.270 199 L C -0.832 175.906 176.870 -0.219 0.000 0.991 199 L CA -0.827 53.860 54.840 -0.254 0.000 0.851 199 L CB 1.052 42.819 42.059 -0.487 0.000 1.218 199 L HN 0.204 nan 8.230 nan 0.000 0.420 200 V N 1.472 121.288 119.914 -0.164 0.000 2.715 200 V HA 0.870 4.993 4.120 0.004 0.000 0.310 200 V C -0.304 175.891 176.094 0.168 0.000 1.054 200 V CA -0.606 61.682 62.300 -0.020 0.000 0.928 200 V CB 1.338 33.221 31.823 0.101 0.000 1.007 200 V HN 0.832 nan 8.190 nan 0.000 0.437 201 c N 2.439 121.124 118.600 0.143 0.000 2.898 201 c HA 0.594 5.167 4.570 0.004 0.000 0.304 201 c C -0.053 174.084 174.090 0.077 0.000 1.237 201 c CA -1.085 55.330 56.329 0.144 0.000 1.529 201 c CB 1.729 44.211 42.510 -0.047 0.000 2.021 201 c HN 1.003 nan 8.230 nan 0.000 0.474 202 K N 1.490 121.805 120.400 -0.141 0.000 2.298 202 K HA 0.326 4.649 4.320 0.004 0.000 0.280 202 K C -0.269 176.317 176.600 -0.023 0.000 1.032 202 K CA 0.115 56.225 56.287 -0.294 0.000 0.958 202 K CB 0.678 32.867 32.500 -0.518 0.000 0.978 202 K HN 0.569 nan 8.250 nan 0.000 0.472 203 K N 3.435 123.826 120.400 -0.016 0.000 2.616 203 K HA 0.092 4.415 4.320 0.004 0.000 0.241 203 K C -0.907 175.667 176.600 -0.044 0.000 0.961 203 K CA -0.381 55.923 56.287 0.029 0.000 0.942 203 K CB 0.436 33.012 32.500 0.126 0.000 1.153 203 K HN 0.587 nan 8.250 nan 0.000 0.452 204 N N 3.017 121.677 118.700 -0.066 0.000 2.754 204 N HA -0.202 4.541 4.740 0.004 0.000 0.248 204 N C 0.544 176.004 175.510 -0.083 0.000 1.093 204 N CA 1.493 54.504 53.050 -0.066 0.000 0.699 204 N CB -1.343 37.115 38.487 -0.049 0.000 1.016 204 N HN 1.102 nan 8.380 nan 0.000 0.552 205 G N -2.066 106.656 108.800 -0.130 0.000 2.225 205 G HA2 -0.151 3.811 3.960 0.004 0.000 0.254 205 G HA3 -0.151 3.811 3.960 0.004 0.000 0.254 205 G C 0.167 174.928 174.900 -0.231 0.000 0.988 205 G CA 0.798 45.792 45.100 -0.177 0.000 0.625 205 G HN 1.271 nan 8.290 nan 0.000 0.527 206 A N -0.272 122.446 122.820 -0.170 0.000 2.292 206 A HA 0.624 4.946 4.320 0.004 0.000 0.319 206 A C -0.051 177.449 177.584 -0.139 0.000 1.206 206 A CA -0.560 51.407 52.037 -0.117 0.000 0.835 206 A CB 0.415 19.401 19.000 -0.022 0.000 1.164 206 A HN 0.593 nan 8.150 nan 0.000 0.505 207 W N 2.149 123.474 121.300 0.041 0.000 2.381 207 W HA 0.349 5.012 4.660 0.005 0.000 0.321 207 W C 0.174 176.567 176.519 -0.210 0.000 1.407 207 W CA 0.679 58.013 57.345 -0.019 0.000 1.274 207 W CB 0.802 30.332 29.460 0.118 0.000 1.310 207 W HN 0.582 nan 8.180 nan 0.000 0.551 208 T N 4.622 119.210 114.554 0.057 0.000 2.841 208 T HA 0.279 4.632 4.350 0.004 0.000 0.283 208 T C -0.844 173.760 174.700 -0.159 0.000 1.000 208 T CA -0.896 61.164 62.100 -0.067 0.000 0.977 208 T CB 1.351 70.241 68.868 0.037 0.000 0.979 208 T HN 0.139 nan 8.240 nan 0.000 0.446 209 L N 4.611 125.716 121.223 -0.196 0.000 2.485 209 L HA 0.222 4.564 4.340 0.004 0.000 0.279 209 L C 0.810 177.550 176.870 -0.218 0.000 1.124 209 L CA 0.546 55.269 54.840 -0.196 0.000 0.888 209 L CB 0.012 41.981 42.059 -0.150 0.000 1.217 209 L HN 0.609 nan 8.230 nan 0.000 0.464 210 V N 4.153 123.879 119.914 -0.313 0.000 3.125 210 V HA 0.421 4.544 4.120 0.004 0.000 0.249 210 V C 1.052 177.017 176.094 -0.216 0.000 1.113 210 V CA 0.818 62.875 62.300 -0.405 0.000 1.106 210 V CB 0.004 31.412 31.823 -0.691 0.000 0.768 210 V HN 0.844 nan 8.190 nan 0.000 0.468 211 G N -0.674 108.024 108.800 -0.170 0.000 2.695 211 G HA2 0.709 4.672 3.960 0.004 0.000 0.290 211 G HA3 0.709 4.672 3.960 0.004 0.000 0.290 211 G C -1.681 173.251 174.900 0.054 0.000 1.410 211 G CA -0.562 44.511 45.100 -0.046 0.000 0.844 211 G HN 0.024 nan 8.290 nan 0.000 0.478 212 I N 0.874 121.546 120.570 0.169 0.000 2.466 212 I HA 0.246 4.418 4.170 0.004 0.000 0.289 212 I C 0.111 176.363 176.117 0.225 0.000 1.026 212 I CA -1.044 60.355 61.300 0.163 0.000 1.078 212 I CB 2.253 40.315 38.000 0.103 0.000 1.249 212 I HN 0.163 nan 8.210 nan 0.000 0.429 213 V N 5.211 125.250 119.914 0.207 0.000 2.539 213 V HA -0.078 4.044 4.120 0.004 0.000 0.300 213 V C 0.850 176.936 176.094 -0.013 0.000 1.019 213 V CA 0.865 63.154 62.300 -0.018 0.000 1.160 213 V CB 0.592 32.433 31.823 0.031 0.000 0.901 213 V HN 0.988 nan 8.190 nan 0.000 0.481 214 S N 4.905 120.501 115.700 -0.173 0.000 3.393 214 S HA 0.382 4.855 4.470 0.004 0.000 0.209 214 S C -0.092 174.537 174.600 0.049 0.000 0.897 214 S CA 0.062 58.314 58.200 0.088 0.000 0.825 214 S CB 0.593 63.856 63.200 0.105 0.000 0.898 214 S HN 0.892 nan 8.310 nan 0.000 0.615 215 W N -0.078 121.044 121.300 -0.298 0.000 2.988 215 W HA 0.648 5.310 4.660 0.003 0.000 0.355 215 W C -0.199 176.124 176.519 -0.327 0.000 1.233 215 W CA -0.398 56.762 57.345 -0.308 0.000 1.176 215 W CB 0.271 29.531 29.460 -0.334 0.000 1.477 215 W HN 0.637 nan 8.180 nan 0.000 0.582 216 G N 0.279 109.096 108.800 0.028 0.000 2.393 216 G HA2 0.294 4.256 3.960 0.004 0.000 0.264 216 G HA3 0.294 4.256 3.960 0.004 0.000 0.264 216 G C -1.055 174.032 174.900 0.311 0.000 1.221 216 G CA -0.195 44.867 45.100 -0.063 0.000 0.912 216 G HN 0.818 nan 8.290 nan 0.000 0.483 217 S N -0.097 115.841 115.700 0.397 0.000 2.593 217 S HA 0.232 4.704 4.470 0.004 0.000 0.300 217 S C 1.581 176.254 174.600 0.123 0.000 1.267 217 S CA 0.824 59.223 58.200 0.332 0.000 1.065 217 S CB 0.531 63.803 63.200 0.120 0.000 0.807 217 S HN 0.871 nan 8.310 nan 0.000 0.499 218 S N 2.844 118.609 115.700 0.108 0.000 2.507 218 S HA -0.036 4.437 4.470 0.004 0.000 0.235 218 S C 1.549 175.919 174.600 -0.385 0.000 0.988 218 S CA 1.158 59.335 58.200 -0.037 0.000 0.944 218 S CB -0.214 63.009 63.200 0.039 0.000 0.762 218 S HN 0.979 nan 8.310 nan 0.000 0.526 219 T N -3.066 111.222 114.554 -0.444 0.000 3.145 219 T HA 0.216 4.568 4.350 0.004 0.000 0.281 219 T C 0.538 174.906 174.700 -0.552 0.000 1.003 219 T CA -0.128 61.428 62.100 -0.907 0.000 0.901 219 T CB -0.838 67.813 68.868 -0.362 0.000 1.112 219 T HN 0.215 nan 8.240 nan 0.000 0.535 220 c N 1.870 120.291 118.600 -0.299 0.000 4.350 220 c HA -0.147 4.425 4.570 0.004 0.000 0.302 220 c C 1.007 175.066 174.090 -0.052 0.000 1.390 220 c CA 0.352 56.621 56.329 -0.100 0.000 2.016 220 c CB -3.276 39.225 42.510 -0.016 0.000 1.271 220 c HN 0.906 nan 8.230 nan 0.000 0.760 221 S N 0.800 116.464 115.700 -0.061 0.000 2.537 221 S HA 0.320 4.792 4.470 0.004 0.000 0.286 221 S C 1.483 176.053 174.600 -0.049 0.000 1.299 221 S CA 0.647 58.816 58.200 -0.051 0.000 1.067 221 S CB 0.838 63.994 63.200 -0.073 0.000 0.864 221 S HN 0.941 nan 8.310 nan 0.000 0.494 222 T N 1.091 115.623 114.554 -0.037 0.000 3.160 222 T HA 0.017 4.370 4.350 0.004 0.000 0.257 222 T C 1.253 175.919 174.700 -0.056 0.000 1.147 222 T CA 0.665 62.746 62.100 -0.033 0.000 1.064 222 T CB -0.350 68.508 68.868 -0.016 0.000 0.949 222 T HN 0.627 nan 8.240 nan 0.000 0.526 223 S N -0.344 115.302 115.700 -0.090 0.000 2.554 223 S HA 0.272 4.745 4.470 0.004 0.000 0.226 223 S C 0.371 174.838 174.600 -0.222 0.000 0.980 223 S CA -0.650 57.478 58.200 -0.121 0.000 0.939 223 S CB 0.038 63.176 63.200 -0.104 0.000 0.832 223 S HN 0.353 nan 8.310 nan 0.000 0.486 224 T N 4.295 118.698 114.554 -0.251 0.000 2.855 224 T HA 0.551 4.904 4.350 0.004 0.000 0.281 224 T C -3.025 171.564 174.700 -0.186 0.000 1.007 224 T CA -1.637 60.200 62.100 -0.438 0.000 1.009 224 T CB 1.593 70.165 68.868 -0.494 0.000 0.983 224 T HN -0.011 nan 8.240 nan 0.000 0.455 225 P HA 0.280 nan 4.420 nan 0.000 0.267 225 P C -0.010 177.395 177.300 0.174 0.000 1.205 225 P CA -0.141 63.013 63.100 0.090 0.000 0.765 225 P CB 0.383 32.192 31.700 0.181 0.000 0.828 226 G N 2.087 110.931 108.800 0.073 0.000 2.420 226 G HA2 0.480 4.443 3.960 0.004 0.000 0.284 226 G HA3 0.480 4.443 3.960 0.004 0.000 0.284 226 G C -0.899 173.862 174.900 -0.232 0.000 1.177 226 G CA -0.364 44.687 45.100 -0.083 0.000 0.841 226 G HN 0.342 nan 8.290 nan 0.000 0.527 227 V N 1.800 121.266 119.914 -0.746 0.000 2.495 227 V HA 0.485 4.607 4.120 0.004 0.000 0.298 227 V C -1.023 174.600 176.094 -0.785 0.000 1.031 227 V CA -0.712 61.092 62.300 -0.828 0.000 0.871 227 V CB 0.862 31.624 31.823 -1.769 0.000 0.988 227 V HN 0.636 nan 8.190 nan 0.000 0.432 228 Y N 1.507 121.642 120.300 -0.275 0.000 2.562 228 Y HA 0.748 5.300 4.550 0.005 0.000 0.343 228 Y C 0.508 176.374 175.900 -0.058 0.000 1.025 228 Y CA -1.065 56.956 58.100 -0.131 0.000 1.082 228 Y CB 1.723 40.121 38.460 -0.102 0.000 1.264 228 Y HN 0.716 nan 8.280 nan 0.000 0.478 229 A N 2.291 125.197 122.820 0.143 0.000 2.454 229 A HA 0.308 4.631 4.320 0.004 0.000 0.260 229 A C 0.272 177.914 177.584 0.097 0.000 1.106 229 A CA -0.518 51.589 52.037 0.117 0.000 0.780 229 A CB -0.050 19.016 19.000 0.109 0.000 1.044 229 A HN 0.790 nan 8.150 nan 0.000 0.498 230 R N 3.521 124.067 120.500 0.077 0.000 2.309 230 R HA 0.249 4.592 4.340 0.004 0.000 0.331 230 R C 0.426 176.757 176.300 0.053 0.000 1.116 230 R CA -0.300 55.833 56.100 0.055 0.000 0.970 230 R CB 0.171 30.506 30.300 0.059 0.000 1.024 230 R HN 0.571 nan 8.270 nan 0.000 0.472 231 V N 3.250 123.184 119.914 0.034 0.000 2.490 231 V HA -0.272 3.851 4.120 0.004 0.000 0.250 231 V C 2.379 178.513 176.094 0.066 0.000 1.061 231 V CA 2.375 64.702 62.300 0.045 0.000 1.064 231 V CB -0.635 31.193 31.823 0.008 0.000 0.670 231 V HN 0.927 nan 8.190 nan 0.000 0.461 232 T N -0.978 113.620 114.554 0.073 0.000 2.833 232 T HA -0.121 4.231 4.350 0.004 0.000 0.269 232 T C 1.740 176.490 174.700 0.083 0.000 1.054 232 T CA 1.411 63.568 62.100 0.096 0.000 1.135 232 T CB -0.383 68.564 68.868 0.132 0.000 0.869 232 T HN 0.492 nan 8.240 nan 0.000 0.466 233 A N 0.480 123.346 122.820 0.076 0.000 2.208 233 A HA 0.512 4.835 4.320 0.004 0.000 0.209 233 A C 1.992 179.624 177.584 0.080 0.000 1.161 233 A CA 0.317 52.396 52.037 0.070 0.000 0.782 233 A CB -0.364 18.671 19.000 0.060 0.000 0.816 233 A HN 0.570 nan 8.150 nan 0.000 0.477 234 L N -1.957 119.325 121.223 0.098 0.000 2.920 234 L HA 0.172 4.514 4.340 0.004 0.000 0.257 234 L C 1.842 178.843 176.870 0.219 0.000 1.150 234 L CA 0.026 54.953 54.840 0.144 0.000 0.959 234 L CB 0.554 42.675 42.059 0.105 0.000 1.321 234 L HN 0.144 nan 8.230 nan 0.000 0.555 235 V N 0.868 120.867 119.914 0.142 0.000 2.626 235 V HA -0.201 3.922 4.120 0.004 0.000 0.252 235 V C 2.104 178.245 176.094 0.079 0.000 1.067 235 V CA 1.859 64.223 62.300 0.106 0.000 1.081 235 V CB -0.203 31.657 31.823 0.063 0.000 0.686 235 V HN 0.526 nan 8.190 nan 0.000 0.468 236 N N -0.688 118.070 118.700 0.096 0.000 2.188 236 N HA -0.210 4.532 4.740 0.004 0.000 0.184 236 N C 1.437 176.989 175.510 0.070 0.000 1.018 236 N CA 1.898 54.984 53.050 0.060 0.000 0.858 236 N CB -0.503 38.025 38.487 0.069 0.000 0.989 236 N HN 0.814 nan 8.380 nan 0.000 0.426 237 W N 2.037 123.322 121.300 -0.024 0.000 2.363 237 W HA -0.090 4.573 4.660 0.005 0.000 0.296 237 W C 1.829 178.306 176.519 -0.069 0.000 1.212 237 W CA 0.784 58.113 57.345 -0.026 0.000 1.260 237 W CB -0.295 29.169 29.460 0.007 0.000 1.131 237 W HN -0.248 nan 8.180 nan 0.000 0.530 238 V N 1.271 121.151 119.914 -0.057 0.000 2.261 238 V HA -0.339 3.784 4.120 0.004 0.000 0.246 238 V C 2.629 178.446 176.094 -0.461 0.000 1.047 238 V CA 2.208 64.305 62.300 -0.339 0.000 1.015 238 V CB -1.051 30.737 31.823 -0.058 0.000 0.642 238 V HN 0.189 nan 8.190 nan 0.000 0.446 239 Q N -0.174 119.459 119.800 -0.278 0.000 2.084 239 Q HA -0.258 4.085 4.340 0.004 0.000 0.202 239 Q C 2.250 178.054 176.000 -0.327 0.000 0.978 239 Q CA 1.802 57.440 55.803 -0.275 0.000 0.844 239 Q CB -0.454 28.191 28.738 -0.156 0.000 0.898 239 Q HN 0.712 nan 8.270 nan 0.000 0.426 240 Q N -0.321 119.297 119.800 -0.302 0.000 2.124 240 Q HA -0.103 4.240 4.340 0.004 0.000 0.202 240 Q C 2.082 177.836 176.000 -0.410 0.000 0.977 240 Q CA 1.712 57.345 55.803 -0.283 0.000 0.850 240 Q CB -0.073 28.546 28.738 -0.199 0.000 0.901 240 Q HN 0.359 nan 8.270 nan 0.000 0.429 241 T N 1.229 115.389 114.554 -0.657 0.000 2.777 241 T HA -0.076 4.277 4.350 0.004 0.000 0.266 241 T C 1.837 176.046 174.700 -0.817 0.000 1.040 241 T CA 0.841 62.463 62.100 -0.797 0.000 1.141 241 T CB -0.154 67.998 68.868 -1.193 0.000 0.868 241 T HN 0.174 nan 8.240 nan 0.000 0.444 242 L N 0.878 121.556 121.223 -0.909 0.000 2.017 242 L HA -0.072 4.271 4.340 0.004 0.000 0.208 242 L C 3.137 179.721 176.870 -0.476 0.000 1.073 242 L CA 1.314 55.575 54.840 -0.965 0.000 0.745 242 L CB -0.858 40.662 42.059 -0.899 0.000 0.894 242 L HN 0.239 nan 8.230 nan 0.000 0.432 243 A N 0.283 122.890 122.820 -0.355 0.000 1.908 243 A HA -0.156 4.167 4.320 0.004 0.000 0.218 243 A C 2.363 179.858 177.584 -0.148 0.000 1.181 243 A CA 1.840 53.754 52.037 -0.205 0.000 0.627 243 A CB -0.633 18.265 19.000 -0.170 0.000 0.818 243 A HN 0.417 nan 8.150 nan 0.000 0.445 244 A N -1.280 121.436 122.820 -0.173 0.000 2.238 244 A HA 0.197 4.520 4.320 0.004 0.000 0.208 244 A C 0.773 178.333 177.584 -0.040 0.000 1.177 244 A CA 0.177 52.159 52.037 -0.093 0.000 0.804 244 A CB -0.186 18.761 19.000 -0.089 0.000 0.823 244 A HN 0.555 nan 8.150 nan 0.000 0.482 245 N N 0.000 118.667 118.700 -0.054 0.000 1.763 245 N HA 0.000 4.743 4.740 0.004 0.000 0.220 245 N CA 0.000 53.114 53.050 0.107 0.000 0.885 245 N CB 0.000 38.575 38.487 0.147 0.000 1.341 245 N HN 0.000 nan 8.380 nan 0.000 0.667