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 2hi4_1_A DATA FIRST_RESID 34 DATA SEQUENCE RVPKGLKSPP EPWGWPLLGH VLTLGKNPHL ALSRMSQRYG DVLQIRIGST DATA SEQUENCE PVLVLSRLDT IRQALVRQGD DFKGRPDLYT STLITDGQSL TFSTDSGPVW DATA SEQUENCE AARRRLAQNA LNTFSIASDP ASSSSCYLEE HVSKEAKALI SRLQELMAGP DATA SEQUENCE GHFDPYNQVV VSVANVIGAM CFGQHFPESS DEMLSLVKNT HEFVETASSG DATA SEQUENCE NPLDFFPILR YLPNPALQRF KAFNQRFLWF LQKTVQEHYQ DFDKNSVRDI DATA SEQUENCE TGALFKHSKK GPRASGNLIP QEKIVNLVND IFGAGFDTVT TAISWSLMYL DATA SEQUENCE VTKPEIQRKI QKELDTVIGR ERRPRLSDRP QLPYLEAFIL ETFRHSSFLP DATA SEQUENCE FTIPHSTTRD TTLNGFYIPK KCCVFVNQWQ VNHDPELWED PSEFRPERFL DATA SEQUENCE TADGTAINKP LSEKMMLFGM GKRRCIGEVL AKWEIFLFLA ILLQQLEFSV DATA SEQUENCE PPGVKVDLTP IYGLTMKHAR CEHVQARRFS 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 34 R HA 0.000 nan 4.340 nan 0.000 0.208 34 R C 0.000 176.263 176.300 -0.062 0.000 0.893 34 R CA 0.000 56.091 56.100 -0.015 0.000 0.921 34 R CB 0.000 30.309 30.300 0.015 0.000 0.687 35 V N 3.019 122.838 119.914 -0.158 0.000 2.638 35 V HA 0.522 4.680 4.120 0.063 0.000 0.306 35 V C -2.283 173.579 176.094 -0.388 0.000 1.052 35 V CA -1.651 60.415 62.300 -0.389 0.000 0.885 35 V CB 1.875 33.592 31.823 -0.177 0.000 0.999 35 V HN 0.091 nan 8.190 nan 0.000 0.424 36 P HA 0.103 nan 4.420 nan 0.000 0.269 36 P C -0.312 176.881 177.300 -0.179 0.000 1.217 36 P CA -0.386 62.538 63.100 -0.294 0.000 0.783 36 P CB 0.408 31.944 31.700 -0.274 0.000 0.898 37 K N 1.555 121.890 120.400 -0.109 0.000 2.489 37 K HA 0.080 4.438 4.320 0.063 0.000 0.278 37 K C 1.268 177.837 176.600 -0.052 0.000 1.000 37 K CA 1.348 57.596 56.287 -0.066 0.000 1.012 37 K CB -0.560 31.912 32.500 -0.047 0.000 0.903 37 K HN 0.781 nan 8.250 nan 0.000 0.485 38 G N 2.943 111.723 108.800 -0.034 0.000 2.179 38 G HA2 -0.252 3.745 3.960 0.063 0.000 0.260 38 G HA3 -0.252 3.745 3.960 0.063 0.000 0.260 38 G C 0.095 174.989 174.900 -0.010 0.000 0.977 38 G CA 0.555 45.643 45.100 -0.019 0.000 0.641 38 G HN 0.482 nan 8.290 nan 0.000 0.533 39 L N -0.663 120.550 121.223 -0.017 0.000 2.322 39 L HA 0.788 5.165 4.340 0.063 0.000 0.269 39 L C 0.296 177.202 176.870 0.060 0.000 1.012 39 L CA -1.074 53.780 54.840 0.022 0.000 0.815 39 L CB 2.004 44.078 42.059 0.026 0.000 1.295 39 L HN 0.106 nan 8.230 nan 0.000 0.438 40 K N -0.156 120.323 120.400 0.131 0.000 2.340 40 K HA 0.533 4.890 4.320 0.063 0.000 0.244 40 K C -0.815 175.961 176.600 0.293 0.000 0.973 40 K CA -0.522 55.873 56.287 0.180 0.000 0.828 40 K CB 2.117 34.727 32.500 0.183 0.000 1.226 40 K HN 0.607 nan 8.250 nan 0.000 0.437 41 S N 2.402 118.240 115.700 0.228 0.000 2.632 41 S HA 0.334 4.842 4.470 0.063 0.000 0.267 41 S C -2.460 172.185 174.600 0.075 0.000 1.276 41 S CA -1.051 57.266 58.200 0.194 0.000 0.998 41 S CB 0.920 64.189 63.200 0.115 0.000 0.953 41 S HN 0.480 nan 8.310 nan 0.000 0.547 42 P HA 0.207 nan 4.420 nan 0.000 0.270 42 P C -2.571 174.477 177.300 -0.421 0.000 1.223 42 P CA -0.992 61.735 63.100 -0.623 0.000 0.785 42 P CB -0.455 31.007 31.700 -0.396 0.000 0.923 43 P HA 0.077 nan 4.420 nan 0.000 0.267 43 P C -0.593 176.567 177.300 -0.233 0.000 1.205 43 P CA 0.615 63.585 63.100 -0.216 0.000 0.765 43 P CB 0.291 31.922 31.700 -0.116 0.000 0.828 44 E N 4.424 124.514 120.200 -0.183 0.000 2.220 44 E HA 0.335 4.722 4.350 0.063 0.000 0.256 44 E C -2.415 174.045 176.600 -0.233 0.000 0.881 44 E CA -2.482 53.775 56.400 -0.239 0.000 0.766 44 E CB 0.904 30.529 29.700 -0.125 0.000 1.187 44 E HN 0.279 nan 8.360 nan 0.000 0.419 45 P HA -0.045 nan 4.420 nan 0.000 0.270 45 P C -0.594 176.803 177.300 0.162 0.000 1.223 45 P CA -0.369 62.571 63.100 -0.268 0.000 0.785 45 P CB 0.307 31.698 31.700 -0.514 0.000 0.923 46 W N 2.454 123.764 121.300 0.017 0.000 2.193 46 W HA 0.379 5.077 4.660 0.064 0.000 0.338 46 W C -0.566 175.792 176.519 -0.269 0.000 1.310 46 W CA 0.293 57.571 57.345 -0.111 0.000 1.243 46 W CB 0.305 29.670 29.460 -0.158 0.000 1.165 46 W HN 0.476 nan 8.180 nan 0.000 0.566 47 G N 3.663 111.550 108.800 -1.521 0.000 2.680 47 G HA2 0.540 4.538 3.960 0.063 0.000 0.290 47 G HA3 0.540 4.538 3.960 0.063 0.000 0.290 47 G C -2.152 171.648 174.900 -1.832 0.000 1.355 47 G CA -1.116 42.979 45.100 -1.675 0.000 0.903 47 G HN 0.632 nan 8.290 nan 0.000 0.474 48 W N 0.088 120.857 121.300 -0.884 0.000 2.237 48 W HA 0.465 5.162 4.660 0.063 0.000 0.335 48 W C -1.959 174.316 176.519 -0.406 0.000 1.230 48 W CA -1.421 55.598 57.345 -0.544 0.000 1.253 48 W CB 0.507 29.835 29.460 -0.221 0.000 1.129 48 W HN 0.247 nan 8.180 nan 0.000 0.590 49 P HA 0.104 nan 4.420 nan 0.000 0.271 49 P C 0.444 177.769 177.300 0.041 0.000 1.218 49 P CA 0.363 63.448 63.100 -0.024 0.000 0.780 49 P CB 0.526 32.250 31.700 0.041 0.000 0.901 50 L N -0.398 120.839 121.223 0.022 0.000 3.417 50 L HA -0.328 4.049 4.340 0.063 0.000 0.368 50 L C 1.503 178.468 176.870 0.159 0.000 0.810 50 L CA 1.114 56.001 54.840 0.079 0.000 3.108 50 L CB -1.589 40.525 42.059 0.091 0.000 0.687 50 L HN 0.302 nan 8.230 nan 0.000 0.756 51 L N -0.772 120.542 121.223 0.151 0.000 2.209 51 L HA 0.243 4.620 4.340 0.063 0.000 0.207 51 L C 1.774 178.722 176.870 0.130 0.000 1.094 51 L CA 2.146 57.120 54.840 0.223 0.000 0.790 51 L CB -0.535 41.599 42.059 0.125 0.000 0.932 51 L HN 0.611 nan 8.230 nan 0.000 0.447 52 G N -0.435 108.335 108.800 -0.050 0.000 2.561 52 G HA2 -0.416 3.582 3.960 0.063 0.000 0.289 52 G HA3 -0.416 3.582 3.960 0.063 0.000 0.289 52 G C 0.439 175.152 174.900 -0.311 0.000 1.169 52 G CA 0.670 45.620 45.100 -0.250 0.000 0.980 52 G HN 0.462 nan 8.290 nan 0.000 0.550 53 H N -0.160 118.870 119.070 -0.066 0.000 2.505 53 H HA 0.480 5.074 4.556 0.062 0.000 0.286 53 H C 2.016 177.352 175.328 0.015 0.000 1.072 53 H CA 0.500 56.530 56.048 -0.029 0.000 1.141 53 H CB 0.762 30.466 29.762 -0.096 0.000 1.550 53 H HN 0.463 nan 8.280 nan 0.000 0.547 54 V N 0.748 120.741 119.914 0.132 0.000 2.324 54 V HA -0.255 3.903 4.120 0.063 0.000 0.250 54 V C 1.773 177.905 176.094 0.063 0.000 1.060 54 V CA 1.798 64.164 62.300 0.110 0.000 1.042 54 V CB -0.320 31.620 31.823 0.196 0.000 0.650 54 V HN 0.545 nan 8.190 nan 0.000 0.450 55 L N -0.440 120.820 121.223 0.061 0.000 2.191 55 L HA -0.134 4.243 4.340 0.063 0.000 0.212 55 L C 2.516 179.413 176.870 0.045 0.000 1.103 55 L CA 1.943 56.795 54.840 0.020 0.000 0.769 55 L CB -1.093 40.953 42.059 -0.023 0.000 0.908 55 L HN 0.362 nan 8.230 nan 0.000 0.438 56 T N 0.424 115.036 114.554 0.096 0.000 2.867 56 T HA -0.102 4.286 4.350 0.063 0.000 0.268 56 T C 2.017 176.729 174.700 0.020 0.000 1.057 56 T CA 0.984 63.134 62.100 0.084 0.000 1.136 56 T CB -0.146 68.803 68.868 0.135 0.000 0.874 56 T HN 0.221 nan 8.240 nan 0.000 0.466 57 L N 0.595 121.820 121.223 0.003 0.000 2.083 57 L HA 0.067 4.445 4.340 0.063 0.000 0.209 57 L C 2.024 178.833 176.870 -0.102 0.000 1.083 57 L CA 0.857 55.666 54.840 -0.051 0.000 0.752 57 L CB -1.557 40.472 42.059 -0.050 0.000 0.899 57 L HN 0.507 nan 8.230 nan 0.000 0.433 58 G N 1.165 109.920 108.800 -0.075 0.000 2.578 58 G HA2 -0.422 3.575 3.960 0.063 0.000 0.275 58 G HA3 -0.422 3.575 3.960 0.063 0.000 0.275 58 G C 0.649 175.475 174.900 -0.124 0.000 1.271 58 G CA 0.642 45.691 45.100 -0.086 0.000 0.941 58 G HN 0.513 nan 8.290 nan 0.000 0.564 59 K N -0.196 120.139 120.400 -0.110 0.000 2.418 59 K HA 0.129 4.487 4.320 0.063 0.000 0.195 59 K C 0.756 177.257 176.600 -0.165 0.000 1.035 59 K CA 1.436 57.665 56.287 -0.096 0.000 1.003 59 K CB 0.054 32.536 32.500 -0.030 0.000 0.793 59 K HN 0.418 nan 8.250 nan 0.000 0.494 60 N N 1.379 119.931 118.700 -0.247 0.000 2.790 60 N HA 0.180 4.958 4.740 0.063 0.000 0.256 60 N C -2.518 172.717 175.510 -0.458 0.000 1.409 60 N CA -1.635 51.215 53.050 -0.334 0.000 0.799 60 N CB 1.974 40.265 38.487 -0.328 0.000 1.170 60 N HN -0.067 nan 8.380 nan 0.000 0.507 61 P HA -0.246 nan 4.420 nan 0.000 0.216 61 P C 1.207 178.541 177.300 0.057 0.000 1.150 61 P CA 1.336 64.322 63.100 -0.191 0.000 0.843 61 P CB 0.040 31.574 31.700 -0.278 0.000 0.787 62 H N -0.894 118.124 119.070 -0.086 0.000 2.423 62 H HA 0.015 4.608 4.556 0.062 0.000 0.297 62 H C 1.832 176.876 175.328 -0.475 0.000 1.075 62 H CA 0.945 56.782 56.048 -0.352 0.000 1.342 62 H CB -1.422 27.964 29.762 -0.627 0.000 1.395 62 H HN 0.157 nan 8.280 nan 0.000 0.530 63 L N 0.522 121.014 121.223 -1.218 0.000 2.072 63 L HA 0.003 4.380 4.340 0.063 0.000 0.205 63 L C 3.088 179.707 176.870 -0.418 0.000 1.079 63 L CA 0.979 55.245 54.840 -0.955 0.000 0.752 63 L CB -0.611 40.892 42.059 -0.927 0.000 0.906 63 L HN 0.341 nan 8.230 nan 0.000 0.436 64 A N 0.280 122.917 122.820 -0.305 0.000 1.898 64 A HA -0.111 4.246 4.320 0.063 0.000 0.216 64 A C 2.232 179.787 177.584 -0.049 0.000 1.181 64 A CA 1.269 53.225 52.037 -0.135 0.000 0.620 64 A CB -0.597 18.340 19.000 -0.105 0.000 0.819 64 A HN 0.359 nan 8.150 nan 0.000 0.442 65 L N -0.890 120.325 121.223 -0.013 0.000 2.313 65 L HA -0.067 4.310 4.340 0.063 0.000 0.214 65 L C 2.766 179.678 176.870 0.069 0.000 1.119 65 L CA 1.079 55.961 54.840 0.068 0.000 0.809 65 L CB -0.278 41.906 42.059 0.209 0.000 0.933 65 L HN 0.462 nan 8.230 nan 0.000 0.449 66 S N -0.011 115.706 115.700 0.029 0.000 2.383 66 S HA -0.126 4.382 4.470 0.063 0.000 0.227 66 S C 2.142 176.799 174.600 0.096 0.000 1.026 66 S CA 1.124 59.386 58.200 0.104 0.000 0.981 66 S CB 0.029 63.339 63.200 0.185 0.000 0.818 66 S HN 0.339 nan 8.310 nan 0.000 0.472 67 R N 0.023 120.553 120.500 0.051 0.000 2.073 67 R HA 0.110 4.488 4.340 0.063 0.000 0.229 67 R C 2.549 178.901 176.300 0.088 0.000 1.120 67 R CA 1.414 57.550 56.100 0.060 0.000 0.967 67 R CB -0.324 29.995 30.300 0.031 0.000 0.862 67 R HN 0.425 nan 8.270 nan 0.000 0.436 68 M N 0.615 120.273 119.600 0.096 0.000 2.159 68 M HA -0.181 4.337 4.480 0.063 0.000 0.263 68 M C 2.340 178.768 176.300 0.213 0.000 1.063 68 M CA 1.943 57.342 55.300 0.165 0.000 1.110 68 M CB -0.088 32.559 32.600 0.078 0.000 1.374 68 M HN 0.210 nan 8.290 nan 0.000 0.411 69 S N -0.558 115.223 115.700 0.136 0.000 2.387 69 S HA -0.175 4.332 4.470 0.063 0.000 0.226 69 S C 1.615 176.283 174.600 0.112 0.000 1.026 69 S CA 0.952 59.228 58.200 0.128 0.000 0.972 69 S CB -0.512 62.751 63.200 0.106 0.000 0.814 69 S HN 0.563 nan 8.310 nan 0.000 0.477 70 Q N 0.495 120.352 119.800 0.095 0.000 2.364 70 Q HA -0.035 4.343 4.340 0.063 0.000 0.209 70 Q C 2.252 178.268 176.000 0.026 0.000 0.977 70 Q CA 1.379 57.221 55.803 0.065 0.000 0.885 70 Q CB -0.092 28.686 28.738 0.067 0.000 0.941 70 Q HN 0.733 nan 8.270 nan 0.000 0.464 71 R N -1.110 119.400 120.500 0.017 0.000 2.103 71 R HA -0.028 4.350 4.340 0.063 0.000 0.212 71 R C 1.215 177.378 176.300 -0.228 0.000 1.107 71 R CA 0.775 56.795 56.100 -0.135 0.000 1.025 71 R CB 0.034 30.193 30.300 -0.235 0.000 0.929 71 R HN 0.151 nan 8.270 nan 0.000 0.456 72 Y N -0.449 119.851 120.300 -0.000 0.000 2.397 72 Y HA 0.407 4.995 4.550 0.063 0.000 0.292 72 Y C 0.993 176.885 175.900 -0.013 0.000 1.115 72 Y CA 0.813 58.904 58.100 -0.014 0.000 1.208 72 Y CB 0.922 39.357 38.460 -0.042 0.000 1.046 72 Y HN 0.379 nan 8.280 nan 0.000 0.552 73 G N -0.210 108.678 108.800 0.147 0.000 2.359 73 G HA2 -0.086 3.912 3.960 0.063 0.000 0.314 73 G HA3 -0.086 3.912 3.960 0.063 0.000 0.314 73 G C -0.732 174.214 174.900 0.076 0.000 1.364 73 G CA -0.174 44.983 45.100 0.096 0.000 0.978 73 G HN 0.099 nan 8.290 nan 0.000 0.615 74 D N -1.334 119.109 120.400 0.071 0.000 2.347 74 D HA 0.052 4.730 4.640 0.063 0.000 0.215 74 D C 0.797 177.123 176.300 0.043 0.000 0.976 74 D CA 0.675 54.711 54.000 0.059 0.000 0.884 74 D CB 0.802 41.636 40.800 0.057 0.000 0.915 74 D HN 0.433 nan 8.370 nan 0.000 0.526 75 V N 1.711 121.643 119.914 0.032 0.000 2.445 75 V HA 0.300 4.458 4.120 0.063 0.000 0.283 75 V C -0.755 175.254 176.094 -0.142 0.000 1.014 75 V CA -0.859 61.432 62.300 -0.016 0.000 0.852 75 V CB 1.288 33.160 31.823 0.082 0.000 1.021 75 V HN 0.192 nan 8.190 nan 0.000 0.435 76 L N 3.032 124.175 121.223 -0.134 0.000 2.409 76 L HA 0.906 5.283 4.340 0.063 0.000 0.255 76 L C -0.649 176.092 176.870 -0.215 0.000 1.027 76 L CA -0.750 53.966 54.840 -0.207 0.000 0.834 76 L CB 2.185 44.142 42.059 -0.171 0.000 1.426 76 L HN 0.654 nan 8.230 nan 0.000 0.411 77 Q N 1.720 121.363 119.800 -0.261 0.000 2.377 77 Q HA 0.845 5.222 4.340 0.063 0.000 0.271 77 Q C -0.856 174.946 176.000 -0.330 0.000 1.077 77 Q CA -0.891 54.761 55.803 -0.251 0.000 0.820 77 Q CB 2.791 31.411 28.738 -0.196 0.000 1.347 77 Q HN 0.887 nan 8.270 nan 0.000 0.444 78 I N -1.889 118.471 120.570 -0.349 0.000 3.436 78 I HA 0.763 4.970 4.170 0.063 0.000 0.300 78 I C -1.073 174.922 176.117 -0.204 0.000 1.131 78 I CA -1.590 59.427 61.300 -0.472 0.000 1.001 78 I CB 2.469 40.154 38.000 -0.525 0.000 1.305 78 I HN 0.734 nan 8.210 nan 0.000 0.494 79 R N 1.364 121.898 120.500 0.058 0.000 2.604 79 R HA 0.691 5.069 4.340 0.063 0.000 0.281 79 R C -1.929 174.322 176.300 -0.082 0.000 1.020 79 R CA -0.564 55.513 56.100 -0.039 0.000 0.899 79 R CB 2.143 32.431 30.300 -0.020 0.000 1.205 79 R HN 0.727 nan 8.270 nan 0.000 0.450 80 I N 4.748 125.148 120.570 -0.283 0.000 2.382 80 I HA 0.398 4.605 4.170 0.063 0.000 0.286 80 I C 0.938 176.826 176.117 -0.382 0.000 1.002 80 I CA -0.140 60.941 61.300 -0.365 0.000 1.135 80 I CB 1.642 39.089 38.000 -0.922 0.000 1.288 80 I HN 1.022 nan 8.210 nan 0.000 0.448 81 G N 5.279 113.874 108.800 -0.340 0.000 2.561 81 G HA2 -0.349 3.649 3.960 0.063 0.000 0.289 81 G HA3 -0.349 3.649 3.960 0.063 0.000 0.289 81 G C 0.587 175.340 174.900 -0.244 0.000 1.169 81 G CA 0.582 45.320 45.100 -0.602 0.000 0.980 81 G HN 0.839 nan 8.290 nan 0.000 0.550 82 S N -0.967 114.604 115.700 -0.216 0.000 2.578 82 S HA 0.473 4.981 4.470 0.063 0.000 0.231 82 S C 0.602 175.147 174.600 -0.092 0.000 0.994 82 S CA 1.098 59.226 58.200 -0.120 0.000 0.956 82 S CB 0.509 63.659 63.200 -0.084 0.000 0.870 82 S HN 0.949 nan 8.310 nan 0.000 0.494 83 T N 5.613 120.120 114.554 -0.079 0.000 2.749 83 T HA 0.422 4.809 4.350 0.063 0.000 0.295 83 T C -2.826 171.832 174.700 -0.069 0.000 0.936 83 T CA -1.160 60.937 62.100 -0.005 0.000 1.060 83 T CB 1.053 70.053 68.868 0.221 0.000 0.904 83 T HN 0.212 nan 8.240 nan 0.000 0.500 84 P HA 0.323 nan 4.420 nan 0.000 0.271 84 P C -1.045 176.156 177.300 -0.165 0.000 1.216 84 P CA -0.373 62.658 63.100 -0.115 0.000 0.771 84 P CB 0.611 32.260 31.700 -0.085 0.000 0.864 85 V N 4.392 124.149 119.914 -0.261 0.000 2.577 85 V HA 0.250 4.408 4.120 0.063 0.000 0.303 85 V C -0.210 175.680 176.094 -0.340 0.000 1.042 85 V CA -0.795 61.267 62.300 -0.398 0.000 0.872 85 V CB 1.880 33.267 31.823 -0.727 0.000 0.998 85 V HN 0.372 nan 8.190 nan 0.000 0.423 86 L N 6.548 127.618 121.223 -0.254 0.000 2.290 86 L HA 0.612 4.989 4.340 0.063 0.000 0.284 86 L C -0.378 176.418 176.870 -0.123 0.000 1.078 86 L CA 0.427 55.177 54.840 -0.150 0.000 0.815 86 L CB 1.354 43.390 42.059 -0.038 0.000 1.162 86 L HN 0.475 nan 8.230 nan 0.000 0.435 87 V N 6.781 126.646 119.914 -0.081 0.000 2.384 87 V HA 0.431 4.589 4.120 0.063 0.000 0.287 87 V C -0.051 176.072 176.094 0.048 0.000 1.020 87 V CA -0.596 61.723 62.300 0.032 0.000 0.850 87 V CB 1.402 33.259 31.823 0.056 0.000 0.987 87 V HN 0.583 nan 8.190 nan 0.000 0.436 88 L N 3.817 125.091 121.223 0.085 0.000 2.322 88 L HA 0.551 4.928 4.340 0.063 0.000 0.281 88 L C 0.610 177.525 176.870 0.075 0.000 1.014 88 L CA -0.103 54.762 54.840 0.041 0.000 0.815 88 L CB 1.979 44.021 42.059 -0.029 0.000 1.247 88 L HN 0.708 nan 8.230 nan 0.000 0.421 89 S N 0.526 116.263 115.700 0.062 0.000 2.649 89 S HA 0.269 4.777 4.470 0.063 0.000 0.246 89 S C 0.378 175.016 174.600 0.064 0.000 1.057 89 S CA -0.484 57.763 58.200 0.078 0.000 1.051 89 S CB 0.486 63.743 63.200 0.096 0.000 1.018 89 S HN 0.460 nan 8.310 nan 0.000 0.569 90 R N 1.242 121.766 120.500 0.040 0.000 2.532 90 R HA 0.403 4.780 4.340 0.063 0.000 0.295 90 R C 0.669 176.975 176.300 0.011 0.000 0.968 90 R CA -0.652 55.465 56.100 0.030 0.000 0.916 90 R CB 1.189 31.504 30.300 0.024 0.000 1.124 90 R HN 0.091 nan 8.270 nan 0.000 0.463 91 L N 2.502 123.732 121.223 0.012 0.000 2.043 91 L HA -0.234 4.144 4.340 0.063 0.000 0.212 91 L C 1.360 178.220 176.870 -0.018 0.000 1.075 91 L CA 2.082 56.923 54.840 0.001 0.000 0.752 91 L CB -0.224 41.835 42.059 0.001 0.000 0.891 91 L HN 0.599 nan 8.230 nan 0.000 0.432 92 D N -1.605 118.783 120.400 -0.020 0.000 2.097 92 D HA -0.189 4.489 4.640 0.063 0.000 0.195 92 D C 1.957 178.237 176.300 -0.033 0.000 0.989 92 D CA 2.002 55.987 54.000 -0.025 0.000 0.827 92 D CB -0.432 40.355 40.800 -0.020 0.000 0.966 92 D HN 0.381 nan 8.370 nan 0.000 0.456 93 T N 1.437 115.974 114.554 -0.028 0.000 2.788 93 T HA -0.049 4.338 4.350 0.063 0.000 0.268 93 T C 2.247 176.887 174.700 -0.099 0.000 1.044 93 T CA 0.417 62.491 62.100 -0.044 0.000 1.139 93 T CB -0.137 68.722 68.868 -0.014 0.000 0.867 93 T HN 0.145 nan 8.240 nan 0.000 0.454 94 I N 0.503 121.020 120.570 -0.088 0.000 2.315 94 I HA -0.126 4.082 4.170 0.063 0.000 0.248 94 I C 2.794 178.830 176.117 -0.134 0.000 1.117 94 I CA 1.118 62.343 61.300 -0.126 0.000 1.404 94 I CB -0.307 37.650 38.000 -0.072 0.000 1.071 94 I HN 0.118 nan 8.210 nan 0.000 0.419 95 R N 0.639 121.089 120.500 -0.083 0.000 2.092 95 R HA -0.230 4.148 4.340 0.063 0.000 0.231 95 R C 2.343 178.599 176.300 -0.073 0.000 1.119 95 R CA 1.473 57.535 56.100 -0.062 0.000 0.970 95 R CB -0.089 30.190 30.300 -0.034 0.000 0.864 95 R HN 0.211 nan 8.270 nan 0.000 0.440 96 Q N 0.417 120.168 119.800 -0.083 0.000 2.061 96 Q HA -0.114 4.263 4.340 0.063 0.000 0.204 96 Q C 1.708 177.628 176.000 -0.133 0.000 0.984 96 Q CA 2.367 58.124 55.803 -0.077 0.000 0.846 96 Q CB -0.280 28.420 28.738 -0.063 0.000 0.902 96 Q HN 0.411 nan 8.270 nan 0.000 0.421 97 A N -0.042 122.597 122.820 -0.302 0.000 1.840 97 A HA -0.032 4.326 4.320 0.063 0.000 0.214 97 A C 2.074 179.420 177.584 -0.397 0.000 1.198 97 A CA 1.349 52.979 52.037 -0.678 0.000 0.608 97 A CB -0.758 17.453 19.000 -1.315 0.000 0.839 97 A HN 0.422 nan 8.150 nan 0.000 0.443 98 L N -0.612 120.440 121.223 -0.285 0.000 2.291 98 L HA -0.063 4.315 4.340 0.063 0.000 0.214 98 L C 2.065 178.942 176.870 0.012 0.000 1.120 98 L CA 0.618 55.405 54.840 -0.089 0.000 0.799 98 L CB -0.415 41.571 42.059 -0.120 0.000 0.925 98 L HN 0.259 nan 8.230 nan 0.000 0.446 99 V N -0.727 119.181 119.914 -0.009 0.000 2.784 99 V HA -0.000 4.158 4.120 0.063 0.000 0.231 99 V C 2.373 178.490 176.094 0.038 0.000 1.128 99 V CA 0.540 62.855 62.300 0.025 0.000 1.178 99 V CB -0.251 31.577 31.823 0.009 0.000 0.943 99 V HN 0.224 nan 8.190 nan 0.000 0.500 100 R N 0.424 120.936 120.500 0.020 0.000 2.096 100 R HA -0.088 4.290 4.340 0.063 0.000 0.235 100 R C 1.536 177.875 176.300 0.066 0.000 1.127 100 R CA 1.221 57.342 56.100 0.034 0.000 0.968 100 R CB -0.147 30.163 30.300 0.018 0.000 0.861 100 R HN 0.557 nan 8.270 nan 0.000 0.440 101 Q N -0.285 119.573 119.800 0.097 0.000 2.201 101 Q HA 0.141 4.519 4.340 0.063 0.000 0.236 101 Q C 1.336 177.487 176.000 0.253 0.000 0.857 101 Q CA -0.217 55.697 55.803 0.184 0.000 1.025 101 Q CB 1.326 30.234 28.738 0.283 0.000 1.124 101 Q HN 0.390 nan 8.270 nan 0.000 0.473 102 G N 1.524 110.425 108.800 0.169 0.000 2.505 102 G HA2 -0.349 3.649 3.960 0.063 0.000 0.220 102 G HA3 -0.349 3.649 3.960 0.063 0.000 0.220 102 G C 1.007 176.011 174.900 0.172 0.000 1.145 102 G CA 1.419 46.625 45.100 0.178 0.000 0.761 102 G HN 0.386 nan 8.290 nan 0.000 0.571 103 D N 0.023 120.498 120.400 0.126 0.000 2.264 103 D HA -0.040 4.638 4.640 0.063 0.000 0.208 103 D C 1.681 178.000 176.300 0.031 0.000 0.966 103 D CA 0.929 54.977 54.000 0.080 0.000 0.864 103 D CB -0.018 40.824 40.800 0.068 0.000 0.933 103 D HN 0.212 nan 8.370 nan 0.000 0.499 104 D N -0.948 119.478 120.400 0.043 0.000 2.249 104 D HA -0.047 4.631 4.640 0.063 0.000 0.205 104 D C 0.627 176.725 176.300 -0.337 0.000 0.962 104 D CA 0.498 54.412 54.000 -0.143 0.000 0.860 104 D CB -0.056 40.635 40.800 -0.181 0.000 0.955 104 D HN 0.321 nan 8.370 nan 0.000 0.505 105 F N 0.694 120.653 119.950 0.016 0.000 2.684 105 F HA 0.194 4.758 4.527 0.062 0.000 0.298 105 F C 1.573 177.441 175.800 0.113 0.000 1.120 105 F CA -0.274 57.757 58.000 0.050 0.000 1.332 105 F CB 0.307 39.331 39.000 0.039 0.000 0.986 105 F HN -0.117 nan 8.300 nan 0.000 0.524 106 K N -0.470 119.976 120.400 0.077 0.000 2.404 106 K HA 0.305 4.662 4.320 0.063 0.000 0.194 106 K C 1.041 177.448 176.600 -0.321 0.000 1.023 106 K CA 0.089 56.326 56.287 -0.084 0.000 1.094 106 K CB 0.127 32.511 32.500 -0.195 0.000 0.841 106 K HN 0.170 nan 8.250 nan 0.000 0.523 107 G N 1.202 109.873 108.800 -0.215 0.000 2.606 107 G HA2 0.219 4.217 3.960 0.063 0.000 0.252 107 G HA3 0.219 4.217 3.960 0.063 0.000 0.252 107 G C -0.672 174.072 174.900 -0.261 0.000 1.206 107 G CA -0.703 44.246 45.100 -0.252 0.000 0.861 107 G HN 0.089 nan 8.290 nan 0.000 0.561 108 R N 0.712 121.079 120.500 -0.222 0.000 2.562 108 R HA 0.424 4.801 4.340 0.063 0.000 0.298 108 R C -2.421 173.841 176.300 -0.063 0.000 0.961 108 R CA -2.098 53.911 56.100 -0.152 0.000 0.881 108 R CB 2.004 32.221 30.300 -0.137 0.000 1.159 108 R HN 0.411 nan 8.270 nan 0.000 0.450 109 P HA 0.033 nan 4.420 nan 0.000 0.274 109 P C -0.459 176.843 177.300 0.003 0.000 1.231 109 P CA -0.343 62.760 63.100 0.004 0.000 0.790 109 P CB 0.782 32.511 31.700 0.048 0.000 0.951 110 D N 2.513 122.905 120.400 -0.014 0.000 2.608 110 D HA 0.165 4.843 4.640 0.063 0.000 0.224 110 D C -0.201 176.083 176.300 -0.027 0.000 1.123 110 D CA 0.027 54.021 54.000 -0.010 0.000 1.030 110 D CB -1.066 39.727 40.800 -0.012 0.000 1.093 110 D HN 0.217 nan 8.370 nan 0.000 0.497 111 L N 2.470 123.679 121.223 -0.024 0.000 2.357 111 L HA 0.189 4.567 4.340 0.063 0.000 0.273 111 L C 1.361 178.216 176.870 -0.026 0.000 1.080 111 L CA -1.018 53.784 54.840 -0.064 0.000 0.803 111 L CB 0.868 42.880 42.059 -0.078 0.000 1.174 111 L HN 0.233 nan 8.230 nan 0.000 0.443 112 Y N 2.083 122.300 120.300 -0.139 0.000 2.114 112 Y HA -0.346 4.236 4.550 0.053 0.000 0.282 112 Y C 2.534 178.392 175.900 -0.070 0.000 1.165 112 Y CA 2.425 60.465 58.100 -0.101 0.000 1.148 112 Y CB -0.416 37.969 38.460 -0.125 0.000 0.972 112 Y HN 0.833 nan 8.280 nan 0.000 0.504 113 T N -3.054 111.297 114.554 -0.338 0.000 2.788 113 T HA -0.182 4.206 4.350 0.063 0.000 0.268 113 T C 2.111 176.668 174.700 -0.237 0.000 1.044 113 T CA 1.624 63.475 62.100 -0.415 0.000 1.139 113 T CB -0.962 67.623 68.868 -0.471 0.000 0.867 113 T HN 0.319 nan 8.240 nan 0.000 0.454 114 S N 1.770 117.359 115.700 -0.184 0.000 2.399 114 S HA -0.091 4.416 4.470 0.063 0.000 0.231 114 S C 2.444 177.003 174.600 -0.068 0.000 1.022 114 S CA 1.568 59.703 58.200 -0.109 0.000 0.983 114 S CB -0.837 62.390 63.200 0.044 0.000 0.803 114 S HN 0.934 nan 8.310 nan 0.000 0.480 115 T N 0.473 114.965 114.554 -0.102 0.000 2.962 115 T HA 0.060 4.448 4.350 0.063 0.000 0.270 115 T C 1.307 175.952 174.700 -0.091 0.000 1.088 115 T CA 0.784 62.843 62.100 -0.068 0.000 1.127 115 T CB -0.453 68.384 68.868 -0.052 0.000 0.883 115 T HN 0.352 nan 8.240 nan 0.000 0.493 116 L N 0.047 121.179 121.223 -0.150 0.000 2.592 116 L HA 0.460 4.838 4.340 0.063 0.000 0.227 116 L C 0.518 177.288 176.870 -0.167 0.000 1.127 116 L CA -0.189 54.561 54.840 -0.151 0.000 0.884 116 L CB -0.178 41.780 42.059 -0.168 0.000 1.065 116 L HN 0.242 nan 8.230 nan 0.000 0.457 117 I N 0.936 121.448 120.570 -0.097 0.000 2.352 117 I HA 0.081 4.289 4.170 0.063 0.000 0.290 117 I C 1.491 177.646 176.117 0.063 0.000 1.036 117 I CA -0.018 61.258 61.300 -0.040 0.000 1.336 117 I CB 1.053 39.012 38.000 -0.069 0.000 1.407 117 I HN 0.387 nan 8.210 nan 0.000 0.497 118 T N 3.285 117.901 114.554 0.103 0.000 13.618 118 T HA -0.379 4.009 4.350 0.063 0.000 0.415 118 T C 0.678 175.441 174.700 0.105 0.000 1.445 118 T CA 1.682 63.879 62.100 0.161 0.000 2.324 118 T CB -1.039 67.974 68.868 0.242 0.000 2.756 118 T HN 0.771 nan 8.240 nan 0.000 0.458 119 D N 1.984 122.450 120.400 0.109 0.000 2.368 119 D HA 0.450 5.127 4.640 0.063 0.000 0.218 119 D C 1.585 177.926 176.300 0.069 0.000 1.112 119 D CA 0.873 54.919 54.000 0.077 0.000 0.834 119 D CB -0.339 40.503 40.800 0.070 0.000 0.953 119 D HN 1.798 nan 8.370 nan 0.000 0.505 120 G N 0.524 109.371 108.800 0.078 0.000 2.155 120 G HA2 -0.307 3.691 3.960 0.063 0.000 0.257 120 G HA3 -0.307 3.691 3.960 0.063 0.000 0.257 120 G C 0.667 175.623 174.900 0.092 0.000 0.983 120 G CA 0.169 45.313 45.100 0.073 0.000 0.676 120 G HN 0.343 nan 8.290 nan 0.000 0.528 121 Q N 0.253 120.117 119.800 0.107 0.000 2.135 121 Q HA 0.262 4.640 4.340 0.063 0.000 0.231 121 Q C 1.021 177.103 176.000 0.136 0.000 0.817 121 Q CA 0.613 56.480 55.803 0.107 0.000 1.073 121 Q CB 0.629 29.415 28.738 0.081 0.000 1.176 121 Q HN 0.925 nan 8.270 nan 0.000 0.478 122 S N -0.400 115.411 115.700 0.185 0.000 2.579 122 S HA 0.116 4.624 4.470 0.063 0.000 0.275 122 S C 1.252 175.966 174.600 0.190 0.000 1.345 122 S CA -0.443 57.886 58.200 0.215 0.000 1.031 122 S CB 1.107 64.506 63.200 0.331 0.000 0.892 122 S HN 0.274 nan 8.310 nan 0.000 0.529 123 L N 2.763 124.086 121.223 0.166 0.000 2.017 123 L HA -0.030 4.347 4.340 0.063 0.000 0.208 123 L C 2.531 179.496 176.870 0.158 0.000 1.073 123 L CA 2.298 57.249 54.840 0.185 0.000 0.745 123 L CB -1.448 40.688 42.059 0.128 0.000 0.894 123 L HN 0.975 nan 8.230 nan 0.000 0.432 124 T N -0.712 113.878 114.554 0.061 0.000 2.674 124 T HA -0.160 4.227 4.350 0.063 0.000 0.265 124 T C 1.536 176.004 174.700 -0.386 0.000 1.039 124 T CA 2.244 64.226 62.100 -0.198 0.000 1.150 124 T CB -0.473 68.177 68.868 -0.363 0.000 0.864 124 T HN 0.299 nan 8.240 nan 0.000 0.427 125 F N 1.432 121.437 119.950 0.091 0.000 2.714 125 F HA 0.262 4.829 4.527 0.067 0.000 0.294 125 F C 1.639 177.458 175.800 0.032 0.000 1.120 125 F CA -0.476 57.561 58.000 0.063 0.000 1.398 125 F CB 0.013 39.078 39.000 0.108 0.000 1.120 125 F HN 0.050 nan 8.300 nan 0.000 0.589 126 S N -0.164 115.649 115.700 0.188 0.000 2.593 126 S HA 0.040 4.547 4.470 0.063 0.000 0.269 126 S C 1.405 176.031 174.600 0.044 0.000 1.334 126 S CA 0.044 58.317 58.200 0.122 0.000 1.015 126 S CB 1.126 64.397 63.200 0.119 0.000 0.912 126 S HN 0.311 nan 8.310 nan 0.000 0.541 127 T N -1.783 112.788 114.554 0.027 0.000 3.085 127 T HA 0.010 4.398 4.350 0.063 0.000 0.263 127 T C 0.371 175.045 174.700 -0.043 0.000 1.127 127 T CA 0.611 62.699 62.100 -0.021 0.000 1.103 127 T CB -0.705 68.157 68.868 -0.009 0.000 0.921 127 T HN 0.776 nan 8.240 nan 0.000 0.510 128 D N 2.289 122.690 120.400 0.002 0.000 2.425 128 D HA 0.186 4.864 4.640 0.063 0.000 0.247 128 D C 0.656 176.941 176.300 -0.025 0.000 1.147 128 D CA 0.166 54.179 54.000 0.023 0.000 0.879 128 D CB 0.744 41.597 40.800 0.089 0.000 1.179 128 D HN 0.305 nan 8.370 nan 0.000 0.456 129 S N 1.569 117.241 115.700 -0.046 0.000 3.101 129 S HA 0.412 4.920 4.470 0.063 0.000 0.252 129 S C 0.657 175.314 174.600 0.097 0.000 0.920 129 S CA -0.291 57.792 58.200 -0.196 0.000 1.158 129 S CB 0.134 63.046 63.200 -0.480 0.000 1.125 129 S HN 0.480 nan 8.310 nan 0.000 0.608 130 G N 2.389 111.299 108.800 0.184 0.000 2.773 130 G HA2 0.534 4.532 3.960 0.063 0.000 0.186 130 G HA3 0.534 4.532 3.960 0.063 0.000 0.186 130 G C -1.897 173.150 174.900 0.245 0.000 1.411 130 G CA -1.478 43.733 45.100 0.184 0.000 1.054 130 G HN 0.170 nan 8.290 nan 0.000 0.579 131 P HA -0.051 nan 4.420 nan 0.000 0.218 131 P C 1.952 179.292 177.300 0.067 0.000 1.148 131 P CA 0.612 63.769 63.100 0.095 0.000 0.822 131 P CB 0.104 31.840 31.700 0.060 0.000 0.784 132 V N -1.460 118.509 119.914 0.092 0.000 2.323 132 V HA -0.173 3.985 4.120 0.063 0.000 0.244 132 V C 2.118 178.256 176.094 0.074 0.000 1.041 132 V CA 1.523 63.862 62.300 0.065 0.000 1.025 132 V CB -1.412 30.456 31.823 0.074 0.000 0.656 132 V HN 0.206 nan 8.190 nan 0.000 0.451 133 W N 1.518 122.818 121.300 -0.000 0.000 2.338 133 W HA -0.213 4.484 4.660 0.062 0.000 0.304 133 W C 2.325 178.839 176.519 -0.008 0.000 1.212 133 W CA 2.065 59.407 57.345 -0.006 0.000 1.264 133 W CB -0.382 29.073 29.460 -0.009 0.000 1.142 133 W HN 0.177 nan 8.180 nan 0.000 0.512 134 A N 0.895 123.531 122.820 -0.307 0.000 1.898 134 A HA 0.007 4.364 4.320 0.063 0.000 0.216 134 A C 2.155 179.460 177.584 -0.465 0.000 1.181 134 A CA 2.472 54.101 52.037 -0.679 0.000 0.620 134 A CB -1.500 17.354 19.000 -0.243 0.000 0.819 134 A HN 0.478 nan 8.150 nan 0.000 0.442 135 A N -0.136 122.538 122.820 -0.244 0.000 1.930 135 A HA -0.124 4.233 4.320 0.063 0.000 0.217 135 A C 2.235 179.705 177.584 -0.190 0.000 1.175 135 A CA 1.400 53.335 52.037 -0.169 0.000 0.627 135 A CB -0.415 18.536 19.000 -0.082 0.000 0.815 135 A HN 0.552 nan 8.150 nan 0.000 0.443 136 R N -0.914 119.467 120.500 -0.198 0.000 2.092 136 R HA -0.083 4.294 4.340 0.063 0.000 0.231 136 R C 2.485 178.645 176.300 -0.233 0.000 1.119 136 R CA 1.391 57.390 56.100 -0.167 0.000 0.970 136 R CB -0.314 29.927 30.300 -0.098 0.000 0.864 136 R HN 0.588 nan 8.270 nan 0.000 0.440 137 R N 1.168 121.430 120.500 -0.397 0.000 2.081 137 R HA -0.147 4.231 4.340 0.063 0.000 0.235 137 R C 2.309 178.445 176.300 -0.273 0.000 1.131 137 R CA 1.587 57.456 56.100 -0.386 0.000 0.960 137 R CB -0.110 29.779 30.300 -0.686 0.000 0.856 137 R HN 0.071 nan 8.270 nan 0.000 0.436 138 R N 0.259 120.593 120.500 -0.277 0.000 2.075 138 R HA -0.080 4.297 4.340 0.063 0.000 0.232 138 R C 2.316 178.511 176.300 -0.175 0.000 1.126 138 R CA 1.506 57.487 56.100 -0.197 0.000 0.963 138 R CB -0.229 29.967 30.300 -0.173 0.000 0.858 138 R HN 0.260 nan 8.270 nan 0.000 0.435 139 L N 0.084 121.194 121.223 -0.188 0.000 2.093 139 L HA -0.112 4.265 4.340 0.063 0.000 0.208 139 L C 2.666 179.412 176.870 -0.207 0.000 1.085 139 L CA 1.276 55.979 54.840 -0.227 0.000 0.755 139 L CB -0.490 41.438 42.059 -0.218 0.000 0.904 139 L HN 0.303 nan 8.230 nan 0.000 0.435 140 A N -0.263 122.456 122.820 -0.168 0.000 1.858 140 A HA -0.307 4.051 4.320 0.063 0.000 0.216 140 A C 2.248 179.760 177.584 -0.119 0.000 1.190 140 A CA 1.979 53.935 52.037 -0.135 0.000 0.617 140 A CB -0.678 18.261 19.000 -0.102 0.000 0.827 140 A HN 0.449 nan 8.150 nan 0.000 0.443 141 Q N -0.243 119.486 119.800 -0.120 0.000 2.096 141 Q HA -0.230 4.147 4.340 0.063 0.000 0.204 141 Q C 1.783 177.726 176.000 -0.095 0.000 0.982 141 Q CA 2.157 57.899 55.803 -0.102 0.000 0.850 141 Q CB -0.174 28.499 28.738 -0.108 0.000 0.901 141 Q HN 0.665 nan 8.270 nan 0.000 0.422 142 N N 0.042 118.677 118.700 -0.109 0.000 2.135 142 N HA -0.091 4.687 4.740 0.063 0.000 0.186 142 N C 1.551 177.019 175.510 -0.069 0.000 1.027 142 N CA 1.455 54.451 53.050 -0.091 0.000 0.849 142 N CB -0.672 37.754 38.487 -0.101 0.000 1.002 142 N HN 0.389 nan 8.380 nan 0.000 0.425 143 A N 1.118 123.882 122.820 -0.093 0.000 1.902 143 A HA -0.097 4.260 4.320 0.063 0.000 0.217 143 A C 2.221 179.831 177.584 0.044 0.000 1.181 143 A CA 1.097 53.126 52.037 -0.015 0.000 0.623 143 A CB -0.829 18.111 19.000 -0.099 0.000 0.818 143 A HN 0.246 nan 8.150 nan 0.000 0.443 144 L N 0.487 121.694 121.223 -0.027 0.000 2.012 144 L HA -0.197 4.181 4.340 0.063 0.000 0.210 144 L C 1.869 178.739 176.870 -0.001 0.000 1.073 144 L CA 2.399 57.231 54.840 -0.014 0.000 0.748 144 L CB -0.809 41.225 42.059 -0.042 0.000 0.891 144 L HN 0.342 nan 8.230 nan 0.000 0.431 145 N N -0.867 117.812 118.700 -0.035 0.000 2.120 145 N HA -0.150 4.627 4.740 0.063 0.000 0.188 145 N C 1.729 177.205 175.510 -0.057 0.000 1.024 145 N CA 1.852 54.873 53.050 -0.049 0.000 0.852 145 N CB -0.714 37.733 38.487 -0.066 0.000 1.003 145 N HN 0.420 nan 8.380 nan 0.000 0.424 146 T N 0.375 114.870 114.554 -0.097 0.000 2.665 146 T HA -0.130 4.257 4.350 0.063 0.000 0.268 146 T C 1.028 175.356 174.700 -0.620 0.000 1.035 146 T CA 1.152 63.077 62.100 -0.293 0.000 1.151 146 T CB -0.336 68.317 68.868 -0.357 0.000 0.862 146 T HN 0.204 nan 8.240 nan 0.000 0.438 147 F N 1.105 120.908 119.950 -0.243 0.000 2.713 147 F HA 0.320 4.884 4.527 0.063 0.000 0.294 147 F C 1.663 177.365 175.800 -0.164 0.000 1.152 147 F CA -0.433 57.249 58.000 -0.529 0.000 1.385 147 F CB -0.068 38.656 39.000 -0.460 0.000 0.981 147 F HN 0.203 nan 8.300 nan 0.000 0.514 148 S N -0.318 115.436 115.700 0.090 0.000 4.207 148 S HA 0.132 4.640 4.470 0.063 0.000 0.177 148 S C 1.406 176.148 174.600 0.237 0.000 0.981 148 S CA 0.198 58.514 58.200 0.192 0.000 1.097 148 S CB -0.539 62.728 63.200 0.113 0.000 1.525 148 S HN 0.216 nan 8.310 nan 0.000 0.686 149 I N 1.088 121.742 120.570 0.141 0.000 3.578 149 I HA 0.559 4.767 4.170 0.063 0.000 0.295 149 I C 0.802 177.047 176.117 0.213 0.000 1.280 149 I CA -0.231 61.184 61.300 0.193 0.000 1.347 149 I CB -0.241 37.669 38.000 -0.151 0.000 1.051 149 I HN 0.387 nan 8.210 nan 0.000 0.460 150 A N 1.834 124.742 122.820 0.146 0.000 2.316 150 A HA 0.531 4.889 4.320 0.063 0.000 0.284 150 A C 0.720 178.386 177.584 0.137 0.000 1.115 150 A CA -0.050 52.055 52.037 0.113 0.000 0.812 150 A CB 0.328 19.355 19.000 0.045 0.000 1.064 150 A HN 0.523 nan 8.150 nan 0.000 0.489 151 S N 1.355 117.091 115.700 0.061 0.000 2.563 151 S HA 0.186 4.694 4.470 0.063 0.000 0.284 151 S C -0.143 174.364 174.600 -0.154 0.000 1.331 151 S CA -0.078 58.103 58.200 -0.033 0.000 1.047 151 S CB 0.493 63.669 63.200 -0.040 0.000 0.859 151 S HN 0.750 nan 8.310 nan 0.000 0.514 152 D N 2.347 122.499 120.400 -0.415 0.000 2.264 152 D HA 0.381 5.058 4.640 0.063 0.000 0.250 152 D C -1.631 174.454 176.300 -0.357 0.000 1.113 152 D CA -2.262 51.254 54.000 -0.806 0.000 0.871 152 D CB 1.220 41.303 40.800 -1.196 0.000 1.167 152 D HN 0.182 nan 8.370 nan 0.000 0.447 153 P HA -0.136 nan 4.420 nan 0.000 0.210 153 P C 1.080 178.328 177.300 -0.087 0.000 1.185 153 P CA 2.265 65.313 63.100 -0.087 0.000 0.924 153 P CB -0.050 31.646 31.700 -0.006 0.000 0.786 154 A N -0.707 122.069 122.820 -0.073 0.000 1.971 154 A HA -0.202 4.155 4.320 0.063 0.000 0.222 154 A C 1.694 179.232 177.584 -0.077 0.000 1.182 154 A CA 1.710 53.717 52.037 -0.051 0.000 0.649 154 A CB -1.514 17.472 19.000 -0.024 0.000 0.818 154 A HN 0.321 nan 8.150 nan 0.000 0.458 155 S N -1.392 114.228 115.700 -0.132 0.000 2.614 155 S HA 0.335 4.843 4.470 0.063 0.000 0.265 155 S C 1.318 175.861 174.600 -0.094 0.000 1.303 155 S CA 0.200 58.327 58.200 -0.123 0.000 1.000 155 S CB 0.935 64.029 63.200 -0.176 0.000 0.935 155 S HN 0.800 nan 8.310 nan 0.000 0.551 156 S N 0.630 116.285 115.700 -0.075 0.000 2.523 156 S HA 0.181 4.688 4.470 0.063 0.000 0.217 156 S C 0.824 175.390 174.600 -0.058 0.000 0.996 156 S CA 0.506 58.671 58.200 -0.057 0.000 0.921 156 S CB 0.109 63.283 63.200 -0.043 0.000 0.829 156 S HN 0.823 nan 8.310 nan 0.000 0.495 157 S N 0.091 115.749 115.700 -0.070 0.000 2.551 157 S HA 0.312 4.820 4.470 0.063 0.000 0.276 157 S C 0.268 174.823 174.600 -0.075 0.000 1.051 157 S CA 0.202 58.363 58.200 -0.065 0.000 1.377 157 S CB 0.044 63.211 63.200 -0.055 0.000 1.208 157 S HN 0.624 nan 8.310 nan 0.000 0.656 158 S N 1.321 116.966 115.700 -0.092 0.000 2.667 158 S HA 0.807 5.314 4.470 0.063 0.000 0.292 158 S C 0.161 174.697 174.600 -0.108 0.000 1.126 158 S CA -0.497 57.649 58.200 -0.091 0.000 0.881 158 S CB 0.840 63.989 63.200 -0.086 0.000 1.132 158 S HN 0.927 nan 8.310 nan 0.000 0.492 159 C N 0.060 119.332 119.300 -0.048 0.000 2.422 159 C HA 0.617 5.115 4.460 0.063 0.000 0.364 159 C C 1.519 176.497 174.990 -0.020 0.000 1.251 159 C CA -0.701 58.314 59.018 -0.005 0.000 2.441 159 C CB -1.204 26.637 27.740 0.168 0.000 2.393 159 C HN 0.877 nan 8.230 nan 0.000 0.606 160 Y N 0.426 120.718 120.300 -0.013 0.000 2.096 160 Y HA -0.218 4.370 4.550 0.063 0.000 0.278 160 Y C 2.411 178.264 175.900 -0.077 0.000 1.192 160 Y CA 2.363 60.418 58.100 -0.076 0.000 1.143 160 Y CB -0.768 37.734 38.460 0.069 0.000 0.963 160 Y HN 0.727 nan 8.280 nan 0.000 0.505 161 L N 0.568 121.962 121.223 0.284 0.000 1.990 161 L HA -0.275 4.103 4.340 0.063 0.000 0.213 161 L C 2.365 179.325 176.870 0.149 0.000 1.072 161 L CA 2.421 57.422 54.840 0.267 0.000 0.755 161 L CB -0.915 41.325 42.059 0.301 0.000 0.889 161 L HN 0.376 nan 8.230 nan 0.000 0.432 162 E N -0.719 119.542 120.200 0.101 0.000 2.085 162 E HA -0.280 4.108 4.350 0.063 0.000 0.194 162 E C 1.965 178.545 176.600 -0.033 0.000 0.994 162 E CA 1.717 58.130 56.400 0.022 0.000 0.801 162 E CB -0.171 29.523 29.700 -0.009 0.000 0.743 162 E HN 0.702 nan 8.360 nan 0.000 0.453 163 E N -0.496 119.654 120.200 -0.084 0.000 2.051 163 E HA -0.212 4.176 4.350 0.063 0.000 0.192 163 E C 2.234 178.784 176.600 -0.083 0.000 0.991 163 E CA 1.240 57.562 56.400 -0.130 0.000 0.799 163 E CB -0.191 29.373 29.700 -0.227 0.000 0.748 163 E HN 0.462 nan 8.360 nan 0.000 0.449 164 H N 0.118 119.235 119.070 0.078 0.000 2.326 164 H HA -0.065 4.529 4.556 0.063 0.000 0.301 164 H C 2.422 177.753 175.328 0.006 0.000 1.081 164 H CA 1.141 57.237 56.048 0.079 0.000 1.334 164 H CB -0.480 29.356 29.762 0.124 0.000 1.385 164 H HN 0.026 nan 8.280 nan 0.000 0.504 165 V N 0.762 120.705 119.914 0.049 0.000 2.343 165 V HA -0.224 3.934 4.120 0.063 0.000 0.247 165 V C 2.520 178.440 176.094 -0.289 0.000 1.051 165 V CA 1.803 63.942 62.300 -0.269 0.000 1.036 165 V CB -0.646 30.959 31.823 -0.365 0.000 0.654 165 V HN 0.350 nan 8.190 nan 0.000 0.451 166 S N -0.371 115.243 115.700 -0.143 0.000 2.365 166 S HA -0.304 4.204 4.470 0.063 0.000 0.225 166 S C 2.023 176.598 174.600 -0.042 0.000 1.039 166 S CA 2.196 60.338 58.200 -0.097 0.000 1.033 166 S CB -0.347 62.821 63.200 -0.055 0.000 0.887 166 S HN 0.666 nan 8.310 nan 0.000 0.447 167 K N 1.020 121.424 120.400 0.006 0.000 2.025 167 K HA -0.142 4.215 4.320 0.063 0.000 0.207 167 K C 2.131 178.778 176.600 0.078 0.000 1.049 167 K CA 1.567 57.886 56.287 0.053 0.000 0.933 167 K CB -0.144 32.414 32.500 0.096 0.000 0.714 167 K HN 0.116 nan 8.250 nan 0.000 0.438 168 E N 0.398 120.656 120.200 0.097 0.000 2.152 168 E HA -0.038 4.350 4.350 0.063 0.000 0.192 168 E C 1.588 178.341 176.600 0.255 0.000 0.983 168 E CA 1.264 57.780 56.400 0.193 0.000 0.818 168 E CB -0.134 29.752 29.700 0.311 0.000 0.758 168 E HN 0.417 nan 8.360 nan 0.000 0.467 169 A N 0.641 123.533 122.820 0.120 0.000 1.930 169 A HA -0.168 4.190 4.320 0.063 0.000 0.217 169 A C 2.022 179.690 177.584 0.139 0.000 1.175 169 A CA 1.565 53.729 52.037 0.211 0.000 0.627 169 A CB -0.317 18.651 19.000 -0.053 0.000 0.815 169 A HN 0.161 nan 8.150 nan 0.000 0.443 170 K N -0.364 120.079 120.400 0.072 0.000 1.984 170 K HA -0.021 4.337 4.320 0.063 0.000 0.209 170 K C 2.348 178.985 176.600 0.061 0.000 1.046 170 K CA 1.122 57.440 56.287 0.052 0.000 0.934 170 K CB -0.360 32.158 32.500 0.031 0.000 0.717 170 K HN 0.391 nan 8.250 nan 0.000 0.438 171 A N 1.792 124.656 122.820 0.074 0.000 1.978 171 A HA -0.176 4.182 4.320 0.063 0.000 0.220 171 A C 2.097 179.721 177.584 0.067 0.000 1.170 171 A CA 1.293 53.371 52.037 0.068 0.000 0.636 171 A CB -0.671 18.379 19.000 0.083 0.000 0.810 171 A HN 0.390 nan 8.150 nan 0.000 0.448 172 L N -0.737 120.548 121.223 0.103 0.000 2.056 172 L HA -0.129 4.248 4.340 0.063 0.000 0.207 172 L C 2.320 179.206 176.870 0.027 0.000 1.078 172 L CA 1.645 56.528 54.840 0.072 0.000 0.749 172 L CB -0.284 41.857 42.059 0.136 0.000 0.901 172 L HN 0.403 nan 8.230 nan 0.000 0.433 173 I N -0.184 120.417 120.570 0.052 0.000 2.208 173 I HA -0.343 3.864 4.170 0.063 0.000 0.245 173 I C 2.845 178.954 176.117 -0.013 0.000 1.097 173 I CA 1.628 62.940 61.300 0.021 0.000 1.363 173 I CB -0.355 37.661 38.000 0.028 0.000 1.051 173 I HN 0.401 nan 8.210 nan 0.000 0.413 174 S N 0.667 116.366 115.700 -0.001 0.000 2.368 174 S HA -0.245 4.263 4.470 0.063 0.000 0.225 174 S C 2.272 176.861 174.600 -0.018 0.000 1.030 174 S CA 1.452 59.647 58.200 -0.007 0.000 0.999 174 S CB -0.273 62.930 63.200 0.006 0.000 0.844 174 S HN 0.361 nan 8.310 nan 0.000 0.459 175 R N 0.180 120.666 120.500 -0.024 0.000 2.092 175 R HA 0.069 4.447 4.340 0.063 0.000 0.231 175 R C 2.312 178.562 176.300 -0.084 0.000 1.119 175 R CA 1.403 57.478 56.100 -0.041 0.000 0.970 175 R CB -0.324 29.951 30.300 -0.041 0.000 0.864 175 R HN 0.457 nan 8.270 nan 0.000 0.440 176 L N 0.415 121.558 121.223 -0.134 0.000 2.109 176 L HA -0.152 4.225 4.340 0.063 0.000 0.207 176 L C 2.561 179.396 176.870 -0.059 0.000 1.086 176 L CA 1.244 55.952 54.840 -0.220 0.000 0.760 176 L CB -0.489 41.381 42.059 -0.315 0.000 0.910 176 L HN 0.348 nan 8.230 nan 0.000 0.437 177 Q N -0.003 119.773 119.800 -0.040 0.000 2.079 177 Q HA -0.231 4.147 4.340 0.063 0.000 0.200 177 Q C 2.023 178.025 176.000 0.004 0.000 0.974 177 Q CA 1.355 57.151 55.803 -0.012 0.000 0.840 177 Q CB -0.106 28.618 28.738 -0.023 0.000 0.898 177 Q HN 0.534 nan 8.270 nan 0.000 0.430 178 E N 0.750 120.947 120.200 -0.005 0.000 2.070 178 E HA -0.202 4.186 4.350 0.063 0.000 0.197 178 E C 2.054 178.662 176.600 0.014 0.000 1.004 178 E CA 1.073 57.474 56.400 0.002 0.000 0.805 178 E CB -0.105 29.592 29.700 -0.004 0.000 0.744 178 E HN 0.278 nan 8.360 nan 0.000 0.451 179 L N 0.055 121.292 121.223 0.024 0.000 2.201 179 L HA -0.170 4.207 4.340 0.063 0.000 0.212 179 L C 2.453 179.367 176.870 0.072 0.000 1.105 179 L CA 0.482 55.353 54.840 0.052 0.000 0.775 179 L CB -0.226 41.897 42.059 0.105 0.000 0.913 179 L HN 0.248 nan 8.230 nan 0.000 0.440 180 M N -0.639 119.021 119.600 0.100 0.000 2.236 180 M HA -0.023 4.495 4.480 0.063 0.000 0.266 180 M C 2.420 178.745 176.300 0.042 0.000 1.070 180 M CA 1.365 56.716 55.300 0.086 0.000 1.137 180 M CB -1.041 31.614 32.600 0.092 0.000 1.378 180 M HN 0.237 nan 8.290 nan 0.000 0.426 181 A N -0.326 122.511 122.820 0.029 0.000 2.216 181 A HA 0.232 4.590 4.320 0.063 0.000 0.214 181 A C 1.893 179.487 177.584 0.017 0.000 1.160 181 A CA 1.458 53.506 52.037 0.018 0.000 0.725 181 A CB -0.746 18.261 19.000 0.011 0.000 0.784 181 A HN 0.507 nan 8.150 nan 0.000 0.472 182 G N -0.659 108.150 108.800 0.014 0.000 2.542 182 G HA2 0.333 4.331 3.960 0.063 0.000 0.208 182 G HA3 0.333 4.331 3.960 0.063 0.000 0.208 182 G C -0.981 173.921 174.900 0.004 0.000 1.976 182 G CA 0.335 45.440 45.100 0.008 0.000 0.722 182 G HN 0.243 nan 8.290 nan 0.000 0.798 183 P HA 0.112 nan 4.420 nan 0.000 0.220 183 P C 1.105 178.407 177.300 0.004 0.000 1.148 183 P CA 1.807 64.869 63.100 -0.064 0.000 0.803 183 P CB 0.015 31.548 31.700 -0.280 0.000 0.782 184 G N -0.287 108.503 108.800 -0.017 0.000 2.137 184 G HA2 -0.181 3.817 3.960 0.063 0.000 0.237 184 G HA3 -0.181 3.817 3.960 0.063 0.000 0.237 184 G C -0.055 174.918 174.900 0.121 0.000 1.002 184 G CA 0.219 45.362 45.100 0.073 0.000 0.702 184 G HN 0.758 nan 8.290 nan 0.000 0.515 185 H N -2.909 116.158 119.070 -0.004 0.000 2.935 185 H HA 0.736 5.329 4.556 0.062 0.000 0.297 185 H C -0.617 174.678 175.328 -0.054 0.000 1.423 185 H CA -0.959 54.992 56.048 -0.161 0.000 1.161 185 H CB 0.487 30.190 29.762 -0.099 0.000 1.841 185 H HN 1.218 nan 8.280 nan 0.000 0.506 186 F N -1.727 118.278 119.950 0.091 0.000 2.817 186 F HA 0.491 5.055 4.527 0.062 0.000 0.317 186 F C -1.821 174.032 175.800 0.087 0.000 1.168 186 F CA -1.139 56.883 58.000 0.037 0.000 0.911 186 F CB 1.042 40.054 39.000 0.019 0.000 1.337 186 F HN 0.673 nan 8.300 nan 0.000 0.464 187 D N 2.772 123.411 120.400 0.398 0.000 2.392 187 D HA 0.357 5.035 4.640 0.063 0.000 0.228 187 D C -1.810 174.727 176.300 0.395 0.000 1.074 187 D CA -2.518 51.646 54.000 0.274 0.000 0.838 187 D CB 2.022 42.924 40.800 0.170 0.000 1.067 187 D HN 0.310 nan 8.370 nan 0.000 0.511 188 P HA -0.219 nan 4.420 nan 0.000 0.215 188 P C 1.438 178.825 177.300 0.144 0.000 1.153 188 P CA 0.905 64.201 63.100 0.327 0.000 0.853 188 P CB 0.094 31.961 31.700 0.279 0.000 0.788 189 Y N 1.407 121.745 120.300 0.063 0.000 2.128 189 Y HA -0.188 4.399 4.550 0.062 0.000 0.284 189 Y C 2.479 178.384 175.900 0.008 0.000 1.154 189 Y CA 1.842 59.934 58.100 -0.015 0.000 1.149 189 Y CB -0.999 37.415 38.460 -0.075 0.000 0.976 189 Y HN -0.098 nan 8.280 nan 0.000 0.505 190 N N -0.460 118.327 118.700 0.144 0.000 2.188 190 N HA -0.164 4.613 4.740 0.063 0.000 0.184 190 N C 1.536 177.049 175.510 0.004 0.000 1.018 190 N CA 1.273 54.378 53.050 0.093 0.000 0.858 190 N CB 0.029 38.602 38.487 0.144 0.000 0.989 190 N HN 0.487 nan 8.380 nan 0.000 0.426 191 Q N 0.307 120.097 119.800 -0.016 0.000 2.187 191 Q HA 0.024 4.402 4.340 0.063 0.000 0.199 191 Q C 2.241 178.169 176.000 -0.121 0.000 0.957 191 Q CA 0.488 56.248 55.803 -0.072 0.000 0.857 191 Q CB -0.362 28.286 28.738 -0.151 0.000 0.929 191 Q HN 0.218 nan 8.270 nan 0.000 0.453 192 V N 0.359 120.162 119.914 -0.186 0.000 2.427 192 V HA -0.168 3.989 4.120 0.063 0.000 0.248 192 V C 2.444 178.391 176.094 -0.246 0.000 1.051 192 V CA 0.977 63.104 62.300 -0.288 0.000 1.048 192 V CB -0.534 31.073 31.823 -0.360 0.000 0.666 192 V HN 0.067 nan 8.190 nan 0.000 0.456 193 V N 0.034 119.818 119.914 -0.218 0.000 2.282 193 V HA -0.277 3.880 4.120 0.063 0.000 0.249 193 V C 2.450 178.640 176.094 0.161 0.000 1.057 193 V CA 2.288 64.608 62.300 0.034 0.000 1.032 193 V CB -0.493 31.368 31.823 0.063 0.000 0.645 193 V HN 0.424 nan 8.190 nan 0.000 0.447 194 V N -0.442 119.511 119.914 0.066 0.000 2.287 194 V HA -0.255 3.903 4.120 0.063 0.000 0.248 194 V C 2.519 178.692 176.094 0.132 0.000 1.053 194 V CA 2.421 64.781 62.300 0.100 0.000 1.027 194 V CB -0.740 31.119 31.823 0.061 0.000 0.646 194 V HN 0.551 nan 8.190 nan 0.000 0.447 195 S N -0.260 115.479 115.700 0.064 0.000 2.368 195 S HA -0.131 4.376 4.470 0.063 0.000 0.224 195 S C 2.006 176.712 174.600 0.177 0.000 1.029 195 S CA 1.408 59.680 58.200 0.121 0.000 0.988 195 S CB -0.133 63.083 63.200 0.027 0.000 0.838 195 S HN 0.381 nan 8.310 nan 0.000 0.462 196 V N 2.038 121.983 119.914 0.052 0.000 2.427 196 V HA -0.153 4.004 4.120 0.063 0.000 0.248 196 V C 2.616 178.862 176.094 0.253 0.000 1.051 196 V CA 1.602 63.967 62.300 0.108 0.000 1.048 196 V CB -1.173 30.596 31.823 -0.090 0.000 0.666 196 V HN 0.525 nan 8.190 nan 0.000 0.456 197 A N 0.371 123.409 122.820 0.364 0.000 1.933 197 A HA -0.217 4.141 4.320 0.063 0.000 0.218 197 A C 2.069 179.788 177.584 0.226 0.000 1.175 197 A CA 1.938 54.178 52.037 0.340 0.000 0.628 197 A CB -0.633 18.537 19.000 0.283 0.000 0.814 197 A HN 0.572 nan 8.150 nan 0.000 0.444 198 N N 0.103 118.962 118.700 0.266 0.000 2.166 198 N HA -0.109 4.669 4.740 0.063 0.000 0.186 198 N C 1.686 177.232 175.510 0.060 0.000 1.019 198 N CA 1.520 54.708 53.050 0.231 0.000 0.856 198 N CB -0.462 38.180 38.487 0.259 0.000 0.993 198 N HN 0.277 nan 8.380 nan 0.000 0.426 199 V N 1.004 120.987 119.914 0.113 0.000 2.270 199 V HA -0.136 4.022 4.120 0.063 0.000 0.245 199 V C 2.217 178.284 176.094 -0.044 0.000 1.043 199 V CA 1.031 63.373 62.300 0.070 0.000 1.014 199 V CB -0.328 31.642 31.823 0.245 0.000 0.645 199 V HN 0.170 nan 8.190 nan 0.000 0.447 200 I N 1.019 121.590 120.570 0.002 0.000 2.546 200 I HA -0.006 4.202 4.170 0.063 0.000 0.255 200 I C 2.202 178.256 176.117 -0.104 0.000 1.163 200 I CA 1.565 62.856 61.300 -0.016 0.000 1.457 200 I CB -0.639 37.372 38.000 0.019 0.000 1.092 200 I HN 0.207 nan 8.210 nan 0.000 0.434 201 G N -0.092 108.512 108.800 -0.326 0.000 2.422 201 G HA2 -0.174 3.824 3.960 0.063 0.000 0.218 201 G HA3 -0.174 3.824 3.960 0.063 0.000 0.218 201 G C 1.713 176.327 174.900 -0.476 0.000 1.140 201 G CA 0.638 45.205 45.100 -0.889 0.000 0.775 201 G HN 0.546 nan 8.290 nan 0.000 0.545 202 A N 0.800 123.415 122.820 -0.342 0.000 1.873 202 A HA 0.093 4.451 4.320 0.063 0.000 0.215 202 A C 2.438 179.883 177.584 -0.231 0.000 1.186 202 A CA 1.611 53.514 52.037 -0.224 0.000 0.616 202 A CB -0.359 18.372 19.000 -0.449 0.000 0.823 202 A HN 0.349 nan 8.150 nan 0.000 0.442 203 M N -0.938 118.497 119.600 -0.275 0.000 2.108 203 M HA -0.223 4.294 4.480 0.063 0.000 0.261 203 M C 2.349 178.451 176.300 -0.330 0.000 1.066 203 M CA 1.551 56.747 55.300 -0.173 0.000 1.107 203 M CB -0.659 31.903 32.600 -0.064 0.000 1.356 203 M HN 0.573 nan 8.290 nan 0.000 0.406 204 C N -0.919 118.093 119.300 -0.480 0.000 2.500 204 C HA -0.046 4.452 4.460 0.063 0.000 0.279 204 C C 1.935 176.300 174.990 -1.041 0.000 1.288 204 C CA 0.488 58.961 59.018 -0.909 0.000 1.710 204 C CB -0.700 26.199 27.740 -1.402 0.000 2.052 204 C HN 0.488 nan 8.230 nan 0.000 0.488 205 F N 0.342 120.211 119.950 -0.134 0.000 2.729 205 F HA 0.413 4.977 4.527 0.063 0.000 0.315 205 F C 1.654 177.599 175.800 0.241 0.000 1.102 205 F CA 0.227 58.258 58.000 0.052 0.000 1.204 205 F CB -1.071 37.986 39.000 0.096 0.000 1.052 205 F HN 0.338 nan 8.300 nan 0.000 0.551 206 G N 1.038 109.967 108.800 0.214 0.000 2.652 206 G HA2 -0.358 3.640 3.960 0.063 0.000 0.318 206 G HA3 -0.358 3.640 3.960 0.063 0.000 0.318 206 G C 1.208 176.260 174.900 0.254 0.000 1.295 206 G CA 0.774 46.004 45.100 0.217 0.000 0.999 206 G HN 0.241 nan 8.290 nan 0.000 0.548 207 Q N -0.200 119.710 119.800 0.182 0.000 2.224 207 Q HA -0.059 4.318 4.340 0.063 0.000 0.203 207 Q C 2.273 178.296 176.000 0.038 0.000 0.970 207 Q CA 1.920 57.765 55.803 0.069 0.000 0.865 207 Q CB -0.150 28.548 28.738 -0.068 0.000 0.922 207 Q HN 0.838 nan 8.270 nan 0.000 0.445 208 H N -1.072 118.067 119.070 0.115 0.000 2.545 208 H HA -0.019 4.574 4.556 0.063 0.000 0.282 208 H C 0.002 175.386 175.328 0.093 0.000 1.020 208 H CA -0.026 56.062 56.048 0.066 0.000 1.243 208 H CB -0.231 29.562 29.762 0.052 0.000 1.377 208 H HN 0.056 nan 8.280 nan 0.000 0.581 209 F N 4.282 124.333 119.950 0.168 0.000 2.541 209 F HA 0.162 4.727 4.527 0.062 0.000 0.378 209 F C -2.045 173.800 175.800 0.074 0.000 1.068 209 F CA -3.449 54.623 58.000 0.120 0.000 1.199 209 F CB 0.781 39.916 39.000 0.225 0.000 1.091 209 F HN -0.057 nan 8.300 nan 0.000 0.555 210 P HA 0.097 nan 4.420 nan 0.000 0.256 210 P C -0.092 176.874 177.300 -0.557 0.000 1.689 210 P CA -0.029 62.834 63.100 -0.396 0.000 1.124 210 P CB 0.381 31.920 31.700 -0.267 0.000 1.766 211 E N 0.757 120.770 120.200 -0.312 0.000 2.118 211 E HA -0.125 4.263 4.350 0.063 0.000 0.195 211 E C 1.277 177.808 176.600 -0.115 0.000 0.992 211 E CA 1.325 57.645 56.400 -0.133 0.000 0.804 211 E CB -0.292 29.462 29.700 0.090 0.000 0.741 211 E HN 0.418 nan 8.360 nan 0.000 0.458 212 S N 0.843 116.479 115.700 -0.106 0.000 2.489 212 S HA -0.043 4.464 4.470 0.063 0.000 0.228 212 S C 1.061 175.599 174.600 -0.103 0.000 0.995 212 S CA -0.079 58.075 58.200 -0.076 0.000 0.934 212 S CB 0.145 63.314 63.200 -0.052 0.000 0.771 212 S HN 0.130 nan 8.310 nan 0.000 0.522 213 S N 2.139 117.743 115.700 -0.160 0.000 2.596 213 S HA -0.046 4.462 4.470 0.063 0.000 0.298 213 S C 0.716 175.223 174.600 -0.155 0.000 1.255 213 S CA -0.268 57.838 58.200 -0.156 0.000 1.083 213 S CB 0.109 63.193 63.200 -0.194 0.000 0.837 213 S HN 0.251 nan 8.310 nan 0.000 0.499 214 D N 3.619 123.958 120.400 -0.101 0.000 2.277 214 D HA -0.073 4.605 4.640 0.063 0.000 0.208 214 D C 1.625 177.859 176.300 -0.109 0.000 0.962 214 D CA 0.677 54.627 54.000 -0.084 0.000 0.865 214 D CB 0.112 40.887 40.800 -0.041 0.000 0.939 214 D HN 0.881 nan 8.370 nan 0.000 0.510 215 E N 0.891 121.015 120.200 -0.128 0.000 2.047 215 E HA -0.207 4.181 4.350 0.063 0.000 0.191 215 E C 2.183 178.554 176.600 -0.381 0.000 0.987 215 E CA 1.083 57.393 56.400 -0.149 0.000 0.799 215 E CB 0.047 29.716 29.700 -0.053 0.000 0.752 215 E HN 0.157 nan 8.360 nan 0.000 0.449 216 M N -0.012 119.222 119.600 -0.611 0.000 2.200 216 M HA -0.008 4.510 4.480 0.063 0.000 0.265 216 M C 1.818 177.875 176.300 -0.404 0.000 1.066 216 M CA 1.489 56.247 55.300 -0.904 0.000 1.127 216 M CB -0.373 31.520 32.600 -1.179 0.000 1.379 216 M HN 0.091 nan 8.290 nan 0.000 0.420 217 L N 0.023 121.097 121.223 -0.248 0.000 2.093 217 L HA -0.119 4.258 4.340 0.063 0.000 0.208 217 L C 2.859 179.686 176.870 -0.072 0.000 1.085 217 L CA 1.514 56.283 54.840 -0.118 0.000 0.755 217 L CB -0.858 41.160 42.059 -0.070 0.000 0.904 217 L HN 0.652 nan 8.230 nan 0.000 0.435 218 S N -0.052 115.599 115.700 -0.081 0.000 2.399 218 S HA -0.144 4.363 4.470 0.063 0.000 0.231 218 S C 1.977 176.584 174.600 0.011 0.000 1.022 218 S CA 0.995 59.184 58.200 -0.018 0.000 0.983 218 S CB -0.098 63.088 63.200 -0.023 0.000 0.803 218 S HN 0.309 nan 8.310 nan 0.000 0.480 219 L N 1.431 122.613 121.223 -0.068 0.000 2.023 219 L HA -0.025 4.353 4.340 0.063 0.000 0.205 219 L C 2.649 179.598 176.870 0.132 0.000 1.073 219 L CA 1.526 56.362 54.840 -0.007 0.000 0.745 219 L CB -0.574 41.385 42.059 -0.167 0.000 0.900 219 L HN 0.434 nan 8.230 nan 0.000 0.435 220 V N -3.392 116.482 119.914 -0.066 0.000 2.913 220 V HA -0.179 3.979 4.120 0.063 0.000 0.260 220 V C 1.997 178.129 176.094 0.064 0.000 1.098 220 V CA 1.341 63.468 62.300 -0.287 0.000 1.121 220 V CB -0.767 30.482 31.823 -0.957 0.000 0.714 220 V HN 0.374 nan 8.190 nan 0.000 0.487 221 K N 0.679 121.162 120.400 0.139 0.000 2.418 221 K HA 0.141 4.498 4.320 0.063 0.000 0.195 221 K C 0.708 177.503 176.600 0.325 0.000 1.035 221 K CA 0.548 56.988 56.287 0.256 0.000 1.003 221 K CB -0.009 32.599 32.500 0.179 0.000 0.793 221 K HN 0.497 nan 8.250 nan 0.000 0.494 222 N N 0.643 119.519 118.700 0.294 0.000 2.351 222 N HA -0.010 4.768 4.740 0.063 0.000 0.254 222 N C 0.616 176.148 175.510 0.038 0.000 1.241 222 N CA 0.234 53.415 53.050 0.218 0.000 0.883 222 N CB 1.181 39.792 38.487 0.205 0.000 1.202 222 N HN 0.149 nan 8.380 nan 0.000 0.512 223 T N -1.771 112.868 114.554 0.141 0.000 3.051 223 T HA -0.146 4.242 4.350 0.063 0.000 0.269 223 T C 1.737 176.319 174.700 -0.196 0.000 1.127 223 T CA 0.792 62.809 62.100 -0.139 0.000 1.107 223 T CB -0.544 68.408 68.868 0.140 0.000 0.898 223 T HN 0.404 nan 8.240 nan 0.000 0.517 224 H N 1.291 120.359 119.070 -0.004 0.000 2.489 224 H HA 0.028 4.622 4.556 0.063 0.000 0.293 224 H C 1.474 176.772 175.328 -0.051 0.000 1.066 224 H CA 1.386 57.414 56.048 -0.034 0.000 1.305 224 H CB -0.371 29.357 29.762 -0.056 0.000 1.386 224 H HN 0.536 nan 8.280 nan 0.000 0.551 225 E N -0.047 119.741 120.200 -0.687 0.000 2.208 225 E HA -0.072 4.315 4.350 0.063 0.000 0.193 225 E C 1.612 178.110 176.600 -0.170 0.000 0.988 225 E CA 0.667 56.860 56.400 -0.345 0.000 0.828 225 E CB -0.093 29.479 29.700 -0.214 0.000 0.763 225 E HN 0.396 nan 8.360 nan 0.000 0.478 226 F N 0.610 120.205 119.950 -0.592 0.000 2.123 226 F HA -0.108 4.457 4.527 0.063 0.000 0.289 226 F C 2.146 177.882 175.800 -0.106 0.000 1.099 226 F CA 0.790 58.580 58.000 -0.351 0.000 1.234 226 F CB -0.302 38.231 39.000 -0.780 0.000 1.034 226 F HN -0.244 nan 8.300 nan 0.000 0.479 227 V N 0.594 120.536 119.914 0.047 0.000 2.392 227 V HA -0.297 3.861 4.120 0.063 0.000 0.249 227 V C 2.154 178.167 176.094 -0.135 0.000 1.059 227 V CA 2.357 64.665 62.300 0.012 0.000 1.051 227 V CB -0.532 31.348 31.823 0.096 0.000 0.658 227 V HN 0.378 nan 8.190 nan 0.000 0.455 228 E N -0.927 119.205 120.200 -0.115 0.000 2.150 228 E HA -0.156 4.231 4.350 0.063 0.000 0.193 228 E C 2.205 178.680 176.600 -0.207 0.000 0.985 228 E CA 1.651 57.984 56.400 -0.111 0.000 0.814 228 E CB -0.080 29.611 29.700 -0.016 0.000 0.752 228 E HN 0.539 nan 8.360 nan 0.000 0.466 229 T N -0.100 114.229 114.554 -0.376 0.000 3.031 229 T HA 0.118 4.506 4.350 0.063 0.000 0.254 229 T C 1.020 175.246 174.700 -0.790 0.000 1.060 229 T CA 0.652 62.373 62.100 -0.631 0.000 1.135 229 T CB 0.319 68.601 68.868 -0.977 0.000 0.896 229 T HN 0.060 nan 8.240 nan 0.000 0.472 230 A N 2.652 124.970 122.820 -0.837 0.000 3.202 230 A HA 0.557 4.914 4.320 0.063 0.000 0.258 230 A C 0.607 178.013 177.584 -0.296 0.000 1.572 230 A CA -0.648 50.986 52.037 -0.671 0.000 1.241 230 A CB -0.556 17.885 19.000 -0.933 0.000 1.127 230 A HN 0.400 nan 8.150 nan 0.000 0.648 231 S N -0.901 114.652 115.700 -0.245 0.000 2.638 231 S HA 0.685 5.193 4.470 0.063 0.000 0.302 231 S C 0.014 174.523 174.600 -0.152 0.000 1.096 231 S CA -0.631 57.466 58.200 -0.172 0.000 0.953 231 S CB 1.186 64.262 63.200 -0.207 0.000 1.107 231 S HN 0.249 nan 8.310 nan 0.000 0.503 232 S N 0.570 116.092 115.700 -0.295 0.000 2.562 232 S HA 0.497 5.005 4.470 0.063 0.000 0.281 232 S C 1.326 175.609 174.600 -0.528 0.000 1.333 232 S CA 0.491 58.227 58.200 -0.773 0.000 1.052 232 S CB 0.122 62.246 63.200 -1.793 0.000 0.884 232 S HN 1.954 nan 8.310 nan 0.000 0.506 233 G N 2.489 111.124 108.800 -0.275 0.000 2.179 233 G HA2 -0.269 3.728 3.960 0.063 0.000 0.257 233 G HA3 -0.269 3.728 3.960 0.063 0.000 0.257 233 G C 0.038 175.055 174.900 0.195 0.000 1.010 233 G CA 0.040 45.210 45.100 0.115 0.000 0.736 233 G HN 0.736 nan 8.290 nan 0.000 0.513 234 N N 0.684 119.521 118.700 0.228 0.000 2.452 234 N HA 0.230 5.008 4.740 0.063 0.000 0.266 234 N C -0.552 175.146 175.510 0.314 0.000 1.209 234 N CA -1.476 51.675 53.050 0.168 0.000 0.929 234 N CB 1.173 39.678 38.487 0.029 0.000 1.063 234 N HN 0.026 nan 8.380 nan 0.000 0.472 235 P HA -0.119 nan 4.420 nan 0.000 0.218 235 P C 1.563 179.093 177.300 0.384 0.000 1.146 235 P CA 0.916 64.261 63.100 0.409 0.000 0.813 235 P CB 0.282 32.092 31.700 0.182 0.000 0.778 236 L N -0.667 120.672 121.223 0.193 0.000 2.187 236 L HA -0.181 4.196 4.340 0.063 0.000 0.213 236 L C 1.365 178.290 176.870 0.091 0.000 1.100 236 L CA 1.393 56.308 54.840 0.125 0.000 0.765 236 L CB -0.611 41.509 42.059 0.102 0.000 0.904 236 L HN -0.004 nan 8.230 nan 0.000 0.437 237 D N -1.268 119.154 120.400 0.036 0.000 2.340 237 D HA 0.002 4.680 4.640 0.063 0.000 0.220 237 D C 0.942 176.801 176.300 -0.734 0.000 1.039 237 D CA 0.742 54.560 54.000 -0.302 0.000 0.866 237 D CB 0.382 40.917 40.800 -0.442 0.000 0.913 237 D HN 0.309 nan 8.370 nan 0.000 0.523 238 F N -1.300 118.654 119.950 0.007 0.000 2.871 238 F HA 0.251 4.817 4.527 0.065 0.000 0.344 238 F C -0.045 175.471 175.800 -0.474 0.000 1.078 238 F CA -0.298 57.565 58.000 -0.228 0.000 1.149 238 F CB 0.725 39.532 39.000 -0.320 0.000 1.087 238 F HN -0.256 nan 8.300 nan 0.000 0.557 239 F N 0.773 120.772 119.950 0.081 0.000 2.810 239 F HA 0.398 4.961 4.527 0.059 0.000 0.373 239 F C -2.029 173.756 175.800 -0.024 0.000 1.174 239 F CA -2.228 55.796 58.000 0.040 0.000 1.141 239 F CB 1.035 40.063 39.000 0.046 0.000 1.420 239 F HN -0.236 nan 8.300 nan 0.000 0.518 240 P HA -0.217 nan 4.420 nan 0.000 0.218 240 P C 1.971 179.309 177.300 0.064 0.000 1.146 240 P CA 1.104 64.201 63.100 -0.006 0.000 0.820 240 P CB 0.379 32.093 31.700 0.024 0.000 0.778 241 I N -0.908 119.762 120.570 0.166 0.000 2.208 241 I HA -0.230 3.978 4.170 0.063 0.000 0.245 241 I C 2.024 178.223 176.117 0.137 0.000 1.097 241 I CA 1.434 62.864 61.300 0.217 0.000 1.363 241 I CB -0.794 37.293 38.000 0.145 0.000 1.051 241 I HN -0.139 nan 8.210 nan 0.000 0.413 242 L N 0.741 121.998 121.223 0.057 0.000 2.129 242 L HA -0.246 4.132 4.340 0.063 0.000 0.212 242 L C 2.460 179.275 176.870 -0.091 0.000 1.087 242 L CA 1.383 56.218 54.840 -0.007 0.000 0.757 242 L CB -0.894 41.171 42.059 0.009 0.000 0.896 242 L HN 0.357 nan 8.230 nan 0.000 0.434 243 R N -0.792 119.548 120.500 -0.266 0.000 2.316 243 R HA -0.141 4.236 4.340 0.063 0.000 0.202 243 R C 1.382 177.386 176.300 -0.493 0.000 1.029 243 R CA 1.073 56.911 56.100 -0.437 0.000 1.018 243 R CB -0.683 29.123 30.300 -0.823 0.000 0.888 243 R HN 0.411 nan 8.270 nan 0.000 0.471 244 Y N 1.097 121.364 120.300 -0.055 0.000 2.510 244 Y HA 0.249 4.806 4.550 0.012 0.000 0.273 244 Y C 1.150 177.042 175.900 -0.014 0.000 1.119 244 Y CA -0.266 57.816 58.100 -0.029 0.000 1.286 244 Y CB 0.381 38.822 38.460 -0.032 0.000 1.061 244 Y HN -0.146 nan 8.280 nan 0.000 0.542 245 L N 2.026 123.294 121.223 0.075 0.000 2.371 245 L HA 0.257 4.634 4.340 0.063 0.000 0.272 245 L C -2.167 174.720 176.870 0.029 0.000 1.124 245 L CA -2.111 52.760 54.840 0.051 0.000 0.816 245 L CB 0.344 42.420 42.059 0.028 0.000 1.129 245 L HN -0.186 nan 8.230 nan 0.000 0.448 246 P HA -0.005 nan 4.420 nan 0.000 0.262 246 P C -0.796 176.516 177.300 0.020 0.000 1.182 246 P CA 0.328 63.444 63.100 0.026 0.000 0.761 246 P CB 0.312 32.026 31.700 0.024 0.000 0.795 247 N N 4.200 122.914 118.700 0.024 0.000 2.594 247 N HA 0.205 4.982 4.740 0.063 0.000 0.280 247 N C -2.319 173.213 175.510 0.036 0.000 1.156 247 N CA -2.011 51.053 53.050 0.024 0.000 0.831 247 N CB 1.359 39.859 38.487 0.022 0.000 1.379 247 N HN 0.008 nan 8.380 nan 0.000 0.536 248 P HA -0.026 nan 4.420 nan 0.000 0.216 248 P C 1.133 178.467 177.300 0.057 0.000 1.153 248 P CA 1.217 64.344 63.100 0.045 0.000 0.848 248 P CB 0.350 32.073 31.700 0.039 0.000 0.787 249 A N -0.246 122.602 122.820 0.047 0.000 1.873 249 A HA -0.224 4.133 4.320 0.063 0.000 0.218 249 A C 2.188 179.813 177.584 0.068 0.000 1.193 249 A CA 1.892 53.958 52.037 0.048 0.000 0.629 249 A CB -1.753 17.257 19.000 0.016 0.000 0.826 249 A HN 0.176 nan 8.150 nan 0.000 0.447 250 L N -0.725 120.533 121.223 0.059 0.000 2.042 250 L HA -0.196 4.182 4.340 0.063 0.000 0.210 250 L C 2.424 179.383 176.870 0.148 0.000 1.076 250 L CA 2.228 57.130 54.840 0.104 0.000 0.749 250 L CB -0.654 41.462 42.059 0.096 0.000 0.893 250 L HN 0.362 nan 8.230 nan 0.000 0.432 251 Q N -0.317 119.544 119.800 0.102 0.000 2.124 251 Q HA -0.171 4.207 4.340 0.063 0.000 0.202 251 Q C 2.431 178.491 176.000 0.101 0.000 0.977 251 Q CA 1.460 57.316 55.803 0.089 0.000 0.850 251 Q CB -0.277 28.499 28.738 0.062 0.000 0.901 251 Q HN 0.551 nan 8.270 nan 0.000 0.429 252 R N -0.719 119.850 120.500 0.115 0.000 2.092 252 R HA -0.107 4.271 4.340 0.063 0.000 0.231 252 R C 2.131 178.545 176.300 0.191 0.000 1.119 252 R CA 1.031 57.210 56.100 0.132 0.000 0.970 252 R CB -0.328 30.042 30.300 0.116 0.000 0.864 252 R HN 0.180 nan 8.270 nan 0.000 0.440 253 F N 2.029 121.989 119.950 0.016 0.000 2.113 253 F HA -0.150 4.411 4.527 0.056 0.000 0.297 253 F C 1.887 177.726 175.800 0.065 0.000 1.103 253 F CA 1.520 59.514 58.000 -0.010 0.000 1.248 253 F CB -0.039 38.883 39.000 -0.129 0.000 0.999 253 F HN -0.217 nan 8.300 nan 0.000 0.475 254 K N 0.057 120.477 120.400 0.034 0.000 2.057 254 K HA -0.133 4.224 4.320 0.063 0.000 0.207 254 K C 2.284 178.860 176.600 -0.039 0.000 1.049 254 K CA 1.332 57.578 56.287 -0.068 0.000 0.931 254 K CB -0.535 31.975 32.500 0.018 0.000 0.714 254 K HN 0.351 nan 8.250 nan 0.000 0.440 255 A N 0.717 123.552 122.820 0.026 0.000 1.929 255 A HA -0.128 4.229 4.320 0.063 0.000 0.216 255 A C 1.970 179.571 177.584 0.027 0.000 1.176 255 A CA 0.892 52.942 52.037 0.021 0.000 0.628 255 A CB -0.609 18.413 19.000 0.037 0.000 0.816 255 A HN 0.369 nan 8.150 nan 0.000 0.444 256 F N 1.320 121.253 119.950 -0.029 0.000 2.102 256 F HA -0.196 4.366 4.527 0.059 0.000 0.298 256 F C 2.167 177.982 175.800 0.026 0.000 1.105 256 F CA 2.025 60.030 58.000 0.009 0.000 1.239 256 F CB -0.178 38.830 39.000 0.013 0.000 0.991 256 F HN 0.214 nan 8.300 nan 0.000 0.474 257 N N 0.306 119.075 118.700 0.114 0.000 2.120 257 N HA -0.189 4.589 4.740 0.063 0.000 0.188 257 N C 1.802 177.337 175.510 0.042 0.000 1.024 257 N CA 1.612 54.697 53.050 0.060 0.000 0.852 257 N CB -0.341 38.042 38.487 -0.173 0.000 1.003 257 N HN 0.553 nan 8.380 nan 0.000 0.424 258 Q N 0.637 120.433 119.800 -0.006 0.000 2.050 258 Q HA -0.052 4.326 4.340 0.063 0.000 0.202 258 Q C 2.121 178.152 176.000 0.051 0.000 0.980 258 Q CA 1.132 56.944 55.803 0.015 0.000 0.840 258 Q CB -0.089 28.634 28.738 -0.025 0.000 0.898 258 Q HN 0.312 nan 8.270 nan 0.000 0.424 259 R N -0.325 120.168 120.500 -0.010 0.000 2.096 259 R HA -0.132 4.245 4.340 0.063 0.000 0.235 259 R C 2.097 178.432 176.300 0.058 0.000 1.127 259 R CA 1.249 57.366 56.100 0.028 0.000 0.968 259 R CB -0.331 29.919 30.300 -0.084 0.000 0.861 259 R HN 0.198 nan 8.270 nan 0.000 0.440 260 F N 1.320 121.110 119.950 -0.267 0.000 2.102 260 F HA -0.200 4.363 4.527 0.061 0.000 0.298 260 F C 2.035 177.851 175.800 0.027 0.000 1.105 260 F CA 1.278 59.167 58.000 -0.184 0.000 1.239 260 F CB -0.317 38.538 39.000 -0.241 0.000 0.991 260 F HN -0.068 nan 8.300 nan 0.000 0.474 261 L N -0.562 120.786 121.223 0.208 0.000 2.083 261 L HA -0.176 4.202 4.340 0.063 0.000 0.209 261 L C 2.065 178.959 176.870 0.040 0.000 1.083 261 L CA 1.943 56.853 54.840 0.117 0.000 0.752 261 L CB -1.227 40.925 42.059 0.155 0.000 0.899 261 L HN 0.443 nan 8.230 nan 0.000 0.433 262 W N -0.464 120.793 121.300 -0.072 0.000 2.355 262 W HA -0.263 4.438 4.660 0.068 0.000 0.309 262 W C 2.444 178.884 176.519 -0.130 0.000 1.206 262 W CA 1.932 59.226 57.345 -0.085 0.000 1.284 262 W CB -0.830 28.597 29.460 -0.054 0.000 1.145 262 W HN 0.313 nan 8.180 nan 0.000 0.502 263 F N 0.510 120.280 119.950 -0.300 0.000 2.102 263 F HA -0.223 4.341 4.527 0.061 0.000 0.298 263 F C 2.096 177.521 175.800 -0.625 0.000 1.105 263 F CA 1.906 59.577 58.000 -0.549 0.000 1.239 263 F CB -0.834 37.916 39.000 -0.418 0.000 0.991 263 F HN -0.207 nan 8.300 nan 0.000 0.474 264 L N 0.136 120.938 121.223 -0.703 0.000 2.017 264 L HA -0.233 4.144 4.340 0.063 0.000 0.208 264 L C 2.431 178.938 176.870 -0.606 0.000 1.073 264 L CA 1.869 56.253 54.840 -0.760 0.000 0.745 264 L CB -1.391 40.359 42.059 -0.514 0.000 0.894 264 L HN 0.322 nan 8.230 nan 0.000 0.432 265 Q N -0.549 119.000 119.800 -0.419 0.000 2.084 265 Q HA -0.244 4.134 4.340 0.063 0.000 0.202 265 Q C 2.247 178.008 176.000 -0.398 0.000 0.978 265 Q CA 1.486 57.104 55.803 -0.309 0.000 0.844 265 Q CB -0.022 28.613 28.738 -0.172 0.000 0.898 265 Q HN 0.359 nan 8.270 nan 0.000 0.426 266 K N 0.061 120.105 120.400 -0.593 0.000 2.026 266 K HA -0.134 4.223 4.320 0.063 0.000 0.208 266 K C 1.925 178.181 176.600 -0.575 0.000 1.048 266 K CA 1.644 57.562 56.287 -0.614 0.000 0.929 266 K CB 0.017 31.971 32.500 -0.911 0.000 0.713 266 K HN 0.134 nan 8.250 nan 0.000 0.439 267 T N 0.884 114.939 114.554 -0.832 0.000 2.746 267 T HA -0.103 4.285 4.350 0.063 0.000 0.267 267 T C 1.901 176.293 174.700 -0.513 0.000 1.039 267 T CA 1.328 62.917 62.100 -0.852 0.000 1.142 267 T CB -0.121 67.809 68.868 -1.564 0.000 0.866 267 T HN -0.001 nan 8.240 nan 0.000 0.444 268 V N 1.404 121.068 119.914 -0.416 0.000 2.358 268 V HA -0.208 3.950 4.120 0.063 0.000 0.246 268 V C 2.634 178.755 176.094 0.045 0.000 1.047 268 V CA 1.610 63.839 62.300 -0.119 0.000 1.035 268 V CB -0.684 31.071 31.823 -0.113 0.000 0.658 268 V HN 0.488 nan 8.190 nan 0.000 0.452 269 Q N -0.163 119.594 119.800 -0.071 0.000 2.045 269 Q HA -0.283 4.094 4.340 0.063 0.000 0.206 269 Q C 2.292 178.314 176.000 0.037 0.000 0.991 269 Q CA 2.361 58.163 55.803 -0.003 0.000 0.851 269 Q CB -0.244 28.447 28.738 -0.080 0.000 0.911 269 Q HN 0.712 nan 8.270 nan 0.000 0.418 270 E N -0.229 119.935 120.200 -0.060 0.000 2.033 270 E HA -0.261 4.126 4.350 0.063 0.000 0.199 270 E C 2.088 178.643 176.600 -0.076 0.000 1.011 270 E CA 1.173 57.550 56.400 -0.037 0.000 0.815 270 E CB -0.345 29.331 29.700 -0.039 0.000 0.755 270 E HN 0.391 nan 8.360 nan 0.000 0.451 271 H N 0.107 118.977 119.070 -0.332 0.000 2.292 271 H HA -0.249 4.344 4.556 0.063 0.000 0.292 271 H C 2.144 177.415 175.328 -0.095 0.000 1.100 271 H CA 2.180 57.852 56.048 -0.627 0.000 1.238 271 H CB -0.439 29.172 29.762 -0.253 0.000 1.355 271 H HN 0.243 nan 8.280 nan 0.000 0.484 272 Y N 1.928 122.302 120.300 0.123 0.000 2.102 272 Y HA -0.327 4.261 4.550 0.063 0.000 0.280 272 Y C 2.757 178.633 175.900 -0.040 0.000 1.178 272 Y CA 2.278 60.306 58.100 -0.121 0.000 1.146 272 Y CB -0.637 37.660 38.460 -0.273 0.000 0.968 272 Y HN 0.390 nan 8.280 nan 0.000 0.504 273 Q N -0.573 119.159 119.800 -0.113 0.000 2.077 273 Q HA -0.189 4.189 4.340 0.063 0.000 0.206 273 Q C 0.159 176.117 176.000 -0.071 0.000 0.989 273 Q CA 1.626 57.339 55.803 -0.150 0.000 0.853 273 Q CB -0.269 28.441 28.738 -0.047 0.000 0.907 273 Q HN 0.480 nan 8.270 nan 0.000 0.418 274 D N -0.185 120.243 120.400 0.046 0.000 2.973 274 D HA 0.208 4.886 4.640 0.063 0.000 0.263 274 D C -1.175 175.214 176.300 0.150 0.000 1.266 274 D CA -0.000 54.064 54.000 0.106 0.000 0.975 274 D CB -0.231 40.717 40.800 0.247 0.000 1.032 274 D HN 0.023 nan 8.370 nan 0.000 0.510 275 F N 1.359 121.281 119.950 -0.046 0.000 2.557 275 F HA 0.371 4.936 4.527 0.064 0.000 0.316 275 F C -1.495 174.312 175.800 0.011 0.000 1.141 275 F CA -1.065 56.958 58.000 0.037 0.000 0.922 275 F CB 2.067 41.154 39.000 0.146 0.000 1.194 275 F HN -0.194 nan 8.300 nan 0.000 0.443 276 D N 4.041 123.850 120.400 -0.985 0.000 2.787 276 D HA 0.273 4.951 4.640 0.063 0.000 0.246 276 D C 0.247 175.929 176.300 -1.029 0.000 1.150 276 D CA -0.603 52.905 54.000 -0.819 0.000 0.864 276 D CB 1.775 42.369 40.800 -0.344 0.000 1.481 276 D HN 0.630 nan 8.370 nan 0.000 0.509 277 K N 2.019 122.007 120.400 -0.686 0.000 2.362 277 K HA -0.051 4.307 4.320 0.063 0.000 0.200 277 K C 0.430 176.962 176.600 -0.113 0.000 1.046 277 K CA 0.777 56.903 56.287 -0.269 0.000 0.952 277 K CB -0.034 32.446 32.500 -0.034 0.000 0.753 277 K HN 0.174 nan 8.250 nan 0.000 0.466 278 N N 0.498 119.116 118.700 -0.136 0.000 2.398 278 N HA -0.025 4.753 4.740 0.063 0.000 0.188 278 N C -0.393 175.104 175.510 -0.023 0.000 1.122 278 N CA 0.358 53.376 53.050 -0.054 0.000 0.866 278 N CB 1.080 39.535 38.487 -0.053 0.000 0.970 278 N HN 0.135 nan 8.380 nan 0.000 0.462 279 S N 0.442 116.116 115.700 -0.045 0.000 2.564 279 S HA 0.243 4.751 4.470 0.063 0.000 0.141 279 S C -0.939 173.722 174.600 0.101 0.000 1.474 279 S CA -0.448 57.772 58.200 0.034 0.000 1.236 279 S CB -0.183 63.025 63.200 0.014 0.000 1.481 279 S HN -0.194 nan 8.310 nan 0.000 0.397 280 V N 4.862 124.899 119.914 0.205 0.000 2.488 280 V HA 0.431 4.589 4.120 0.063 0.000 0.277 280 V C 1.052 177.364 176.094 0.362 0.000 1.046 280 V CA 0.087 62.590 62.300 0.340 0.000 0.986 280 V CB 1.161 33.230 31.823 0.409 0.000 0.989 280 V HN 0.725 nan 8.190 nan 0.000 0.475 281 R N 2.140 122.778 120.500 0.229 0.000 2.487 281 R HA 0.264 4.642 4.340 0.063 0.000 0.272 281 R C -0.572 175.552 176.300 -0.294 0.000 0.928 281 R CA -0.110 56.130 56.100 0.233 0.000 1.077 281 R CB 0.681 31.123 30.300 0.236 0.000 1.265 281 R HN 0.912 nan 8.270 nan 0.000 0.537 282 D N -1.552 118.303 120.400 -0.908 0.000 2.677 282 D HA 0.169 4.847 4.640 0.063 0.000 0.298 282 D C 0.729 176.219 176.300 -1.351 0.000 1.250 282 D CA -0.843 52.362 54.000 -1.325 0.000 0.888 282 D CB 0.237 40.769 40.800 -0.447 0.000 1.397 282 D HN -0.228 nan 8.370 nan 0.000 0.461 283 I N -0.341 119.675 120.570 -0.923 0.000 2.179 283 I HA -0.247 3.961 4.170 0.063 0.000 0.242 283 I C 1.917 177.674 176.117 -0.601 0.000 1.088 283 I CA 1.663 62.616 61.300 -0.578 0.000 1.357 283 I CB -0.511 37.239 38.000 -0.418 0.000 1.051 283 I HN 0.469 nan 8.210 nan 0.000 0.409 284 T N 0.603 114.689 114.554 -0.779 0.000 2.684 284 T HA -0.168 4.220 4.350 0.063 0.000 0.267 284 T C 1.918 175.901 174.700 -1.194 0.000 1.036 284 T CA 1.703 63.172 62.100 -1.052 0.000 1.148 284 T CB -0.814 67.287 68.868 -1.279 0.000 0.863 284 T HN 0.606 nan 8.240 nan 0.000 0.436 285 G N 0.863 109.236 108.800 -0.711 0.000 2.422 285 G HA2 -0.013 3.985 3.960 0.063 0.000 0.218 285 G HA3 -0.013 3.985 3.960 0.063 0.000 0.218 285 G C 1.817 176.688 174.900 -0.048 0.000 1.146 285 G CA 0.869 45.832 45.100 -0.227 0.000 0.769 285 G HN 0.590 nan 8.290 nan 0.000 0.547 286 A N 0.478 123.249 122.820 -0.083 0.000 1.930 286 A HA 0.146 4.503 4.320 0.063 0.000 0.217 286 A C 2.388 180.038 177.584 0.110 0.000 1.175 286 A CA 1.078 53.195 52.037 0.133 0.000 0.627 286 A CB -0.313 18.804 19.000 0.194 0.000 0.815 286 A HN 0.358 nan 8.150 nan 0.000 0.443 287 L N -1.972 119.157 121.223 -0.156 0.000 2.156 287 L HA -0.086 4.292 4.340 0.063 0.000 0.208 287 L C 2.425 179.273 176.870 -0.036 0.000 1.095 287 L CA 0.873 55.626 54.840 -0.146 0.000 0.770 287 L CB -0.501 41.378 42.059 -0.301 0.000 0.914 287 L HN 0.444 nan 8.230 nan 0.000 0.439 288 F N 0.422 120.250 119.950 -0.204 0.000 2.084 288 F HA -0.250 4.314 4.527 0.062 0.000 0.296 288 F C 2.793 178.566 175.800 -0.045 0.000 1.111 288 F CA 1.041 58.874 58.000 -0.278 0.000 1.224 288 F CB -0.143 38.375 39.000 -0.802 0.000 0.991 288 F HN -0.027 nan 8.300 nan 0.000 0.471 289 K N -0.077 120.514 120.400 0.317 0.000 2.032 289 K HA -0.244 4.114 4.320 0.063 0.000 0.209 289 K C 1.794 178.487 176.600 0.156 0.000 1.048 289 K CA 1.974 58.459 56.287 0.330 0.000 0.927 289 K CB -0.270 32.444 32.500 0.357 0.000 0.712 289 K HN 0.250 nan 8.250 nan 0.000 0.441 290 H N -0.071 119.062 119.070 0.106 0.000 2.290 290 H HA -0.110 4.484 4.556 0.063 0.000 0.298 290 H C 2.410 177.769 175.328 0.052 0.000 1.087 290 H CA 2.249 58.334 56.048 0.062 0.000 1.291 290 H CB -0.308 29.470 29.762 0.026 0.000 1.369 290 H HN 0.388 nan 8.280 nan 0.000 0.492 291 S N 0.288 116.091 115.700 0.172 0.000 2.400 291 S HA -0.237 4.270 4.470 0.063 0.000 0.232 291 S C 2.011 176.658 174.600 0.078 0.000 1.025 291 S CA 1.578 59.838 58.200 0.100 0.000 0.993 291 S CB -0.146 63.099 63.200 0.075 0.000 0.808 291 S HN 0.398 nan 8.310 nan 0.000 0.478 292 K N 1.251 121.708 120.400 0.096 0.000 2.148 292 K HA 0.029 4.387 4.320 0.063 0.000 0.204 292 K C 1.929 178.562 176.600 0.055 0.000 1.050 292 K CA 1.005 57.342 56.287 0.082 0.000 0.942 292 K CB -0.048 32.530 32.500 0.130 0.000 0.724 292 K HN 0.391 nan 8.250 nan 0.000 0.446 293 K N -0.742 119.681 120.400 0.038 0.000 2.418 293 K HA 0.051 4.409 4.320 0.063 0.000 0.195 293 K C 0.226 176.839 176.600 0.021 0.000 1.035 293 K CA 0.615 56.909 56.287 0.012 0.000 1.003 293 K CB 0.559 33.038 32.500 -0.036 0.000 0.793 293 K HN 0.342 nan 8.250 nan 0.000 0.494 294 G N 3.318 112.140 108.800 0.036 0.000 2.756 294 G HA2 -0.117 3.881 3.960 0.063 0.000 0.272 294 G HA3 -0.117 3.881 3.960 0.063 0.000 0.272 294 G C -2.813 172.110 174.900 0.038 0.000 1.128 294 G CA -0.964 44.156 45.100 0.033 0.000 1.145 294 G HN 0.057 nan 8.290 nan 0.000 0.545 295 P HA 0.471 nan 4.420 nan 0.000 0.271 295 P C 0.552 177.871 177.300 0.031 0.000 1.218 295 P CA 0.135 63.268 63.100 0.054 0.000 0.780 295 P CB 0.686 32.424 31.700 0.064 0.000 0.901 296 R N 1.010 121.523 120.500 0.023 0.000 2.930 296 R HA 0.907 5.284 4.340 0.063 0.000 0.257 296 R C -1.158 175.148 176.300 0.009 0.000 1.107 296 R CA -1.001 55.109 56.100 0.016 0.000 0.999 296 R CB 2.044 32.354 30.300 0.016 0.000 1.209 296 R HN 0.473 nan 8.270 nan 0.000 0.486 297 A N 0.243 123.070 122.820 0.012 0.000 2.456 297 A HA 0.432 4.790 4.320 0.063 0.000 0.288 297 A C -0.198 177.397 177.584 0.018 0.000 1.042 297 A CA -0.017 52.027 52.037 0.011 0.000 0.738 297 A CB 1.375 20.384 19.000 0.014 0.000 1.266 297 A HN 1.019 nan 8.150 nan 0.000 0.407 298 S N 1.898 117.608 115.700 0.018 0.000 3.614 298 S HA 0.060 4.568 4.470 0.063 0.000 0.360 298 S C 1.822 176.433 174.600 0.018 0.000 1.023 298 S CA 2.157 60.369 58.200 0.020 0.000 1.114 298 S CB -1.512 61.703 63.200 0.026 0.000 0.907 298 S HN 3.145 nan 8.310 nan 0.000 0.470 299 G N -0.212 108.598 108.800 0.015 0.000 2.176 299 G HA2 -0.294 3.703 3.960 0.063 0.000 0.253 299 G HA3 -0.294 3.703 3.960 0.063 0.000 0.253 299 G C -0.223 174.686 174.900 0.015 0.000 0.979 299 G CA 0.306 45.415 45.100 0.015 0.000 0.641 299 G HN 1.062 nan 8.290 nan 0.000 0.530 300 N N -0.243 118.467 118.700 0.016 0.000 2.370 300 N HA 0.665 5.443 4.740 0.063 0.000 0.303 300 N C 0.033 175.554 175.510 0.017 0.000 1.103 300 N CA -0.908 52.152 53.050 0.017 0.000 0.848 300 N CB 1.685 40.183 38.487 0.019 0.000 1.235 300 N HN 0.161 nan 8.380 nan 0.000 0.496 301 L N 1.979 123.212 121.223 0.017 0.000 2.456 301 L HA 0.215 4.592 4.340 0.063 0.000 0.272 301 L C -0.068 176.813 176.870 0.018 0.000 1.189 301 L CA -0.041 54.809 54.840 0.017 0.000 0.846 301 L CB 0.300 42.369 42.059 0.017 0.000 1.111 301 L HN 0.395 nan 8.230 nan 0.000 0.475 302 I N 4.484 125.064 120.570 0.018 0.000 2.342 302 I HA 0.222 4.429 4.170 0.063 0.000 0.291 302 I C -1.925 174.202 176.117 0.015 0.000 1.010 302 I CA -1.988 59.322 61.300 0.017 0.000 1.308 302 I CB 1.012 39.020 38.000 0.012 0.000 1.400 302 I HN 0.339 nan 8.210 nan 0.000 0.488 303 P HA -0.037 nan 4.420 nan 0.000 0.264 303 P C 0.436 177.740 177.300 0.006 0.000 1.193 303 P CA 0.033 63.139 63.100 0.010 0.000 0.763 303 P CB 0.605 32.312 31.700 0.011 0.000 0.810 304 Q N 3.383 123.183 119.800 0.001 0.000 2.133 304 Q HA -0.288 4.089 4.340 0.063 0.000 0.208 304 Q C 1.752 177.745 176.000 -0.013 0.000 0.991 304 Q CA 2.211 58.011 55.803 -0.005 0.000 0.867 304 Q CB -0.105 28.622 28.738 -0.019 0.000 0.911 304 Q HN 0.603 nan 8.270 nan 0.000 0.417 305 E N 0.166 120.357 120.200 -0.015 0.000 2.118 305 E HA -0.245 4.142 4.350 0.063 0.000 0.195 305 E C 1.491 178.088 176.600 -0.005 0.000 0.992 305 E CA 1.383 57.775 56.400 -0.014 0.000 0.804 305 E CB -0.267 29.428 29.700 -0.008 0.000 0.741 305 E HN 0.331 nan 8.360 nan 0.000 0.458 306 K N 0.037 120.439 120.400 0.004 0.000 2.486 306 K HA 0.080 4.437 4.320 0.063 0.000 0.194 306 K C 1.768 178.364 176.600 -0.006 0.000 1.033 306 K CA 0.479 56.772 56.287 0.011 0.000 1.004 306 K CB 0.145 32.659 32.500 0.022 0.000 0.798 306 K HN 0.260 nan 8.250 nan 0.000 0.495 307 I N -0.803 119.756 120.570 -0.018 0.000 2.685 307 I HA -0.147 4.061 4.170 0.063 0.000 0.251 307 I C 1.912 177.984 176.117 -0.074 0.000 1.102 307 I CA 0.379 61.656 61.300 -0.039 0.000 1.442 307 I CB 0.066 38.056 38.000 -0.017 0.000 1.194 307 I HN -0.192 nan 8.210 nan 0.000 0.448 308 V N 2.727 122.597 119.914 -0.072 0.000 2.626 308 V HA -0.205 3.953 4.120 0.063 0.000 0.252 308 V C 1.980 178.000 176.094 -0.124 0.000 1.067 308 V CA 1.877 64.096 62.300 -0.136 0.000 1.081 308 V CB -1.065 30.717 31.823 -0.068 0.000 0.686 308 V HN 0.625 nan 8.190 nan 0.000 0.468 309 N N 0.553 119.218 118.700 -0.059 0.000 2.571 309 N HA -0.073 4.705 4.740 0.063 0.000 0.189 309 N C 1.353 176.862 175.510 -0.003 0.000 1.154 309 N CA 0.790 53.826 53.050 -0.023 0.000 0.907 309 N CB -0.566 37.931 38.487 0.016 0.000 0.977 309 N HN 0.473 nan 8.380 nan 0.000 0.449 310 L N 0.390 121.588 121.223 -0.042 0.000 2.275 310 L HA -0.071 4.306 4.340 0.063 0.000 0.215 310 L C 2.141 178.990 176.870 -0.034 0.000 1.119 310 L CA 0.654 55.474 54.840 -0.032 0.000 0.790 310 L CB -0.298 41.716 42.059 -0.076 0.000 0.919 310 L HN 0.155 nan 8.230 nan 0.000 0.443 311 V N -3.490 116.372 119.914 -0.087 0.000 2.809 311 V HA -0.120 4.038 4.120 0.063 0.000 0.256 311 V C 2.027 178.170 176.094 0.081 0.000 1.080 311 V CA 1.436 63.676 62.300 -0.099 0.000 1.102 311 V CB -0.746 30.917 31.823 -0.266 0.000 0.705 311 V HN 0.392 nan 8.190 nan 0.000 0.475 312 N N 1.465 120.244 118.700 0.131 0.000 2.120 312 N HA -0.148 4.630 4.740 0.063 0.000 0.188 312 N C 1.614 177.366 175.510 0.402 0.000 1.024 312 N CA 2.025 55.260 53.050 0.308 0.000 0.852 312 N CB -0.513 38.160 38.487 0.312 0.000 1.003 312 N HN 0.623 nan 8.380 nan 0.000 0.424 313 D N 0.413 120.960 120.400 0.244 0.000 2.123 313 D HA 0.007 4.685 4.640 0.063 0.000 0.200 313 D C 2.043 178.445 176.300 0.171 0.000 0.976 313 D CA 0.532 54.653 54.000 0.201 0.000 0.831 313 D CB 0.078 40.957 40.800 0.132 0.000 0.974 313 D HN 0.247 nan 8.370 nan 0.000 0.469 314 I N 0.546 121.194 120.570 0.130 0.000 2.179 314 I HA -0.262 3.945 4.170 0.063 0.000 0.242 314 I C 2.358 178.572 176.117 0.163 0.000 1.088 314 I CA 0.911 62.265 61.300 0.090 0.000 1.357 314 I CB -0.210 37.790 38.000 0.000 0.000 1.051 314 I HN -0.086 nan 8.210 nan 0.000 0.409 315 F N 1.489 121.495 119.950 0.093 0.000 2.113 315 F HA -0.067 4.497 4.527 0.061 0.000 0.297 315 F C 2.306 178.312 175.800 0.343 0.000 1.103 315 F CA 1.589 59.700 58.000 0.185 0.000 1.248 315 F CB -0.789 38.344 39.000 0.222 0.000 0.999 315 F HN -0.024 nan 8.300 nan 0.000 0.475 316 G N -0.148 108.958 108.800 0.510 0.000 2.480 316 G HA2 -0.267 3.731 3.960 0.063 0.000 0.216 316 G HA3 -0.267 3.731 3.960 0.063 0.000 0.216 316 G C 1.825 176.770 174.900 0.075 0.000 1.200 316 G CA 1.030 46.300 45.100 0.283 0.000 0.782 316 G HN 0.587 nan 8.290 nan 0.000 0.554 317 A N 0.710 123.576 122.820 0.077 0.000 1.898 317 A HA 0.181 4.538 4.320 0.063 0.000 0.216 317 A C 2.724 180.329 177.584 0.035 0.000 1.181 317 A CA 2.122 54.192 52.037 0.055 0.000 0.620 317 A CB -1.103 17.936 19.000 0.064 0.000 0.819 317 A HN 0.591 nan 8.150 nan 0.000 0.442 318 G N -1.335 107.486 108.800 0.035 0.000 2.432 318 G HA2 -0.172 3.826 3.960 0.063 0.000 0.219 318 G HA3 -0.172 3.826 3.960 0.063 0.000 0.219 318 G C 1.426 176.293 174.900 -0.055 0.000 1.135 318 G CA 1.184 46.292 45.100 0.012 0.000 0.767 318 G HN 0.510 nan 8.290 nan 0.000 0.550 319 F N 1.738 121.568 119.950 -0.200 0.000 2.074 319 F HA 0.034 4.598 4.527 0.062 0.000 0.293 319 F C 2.111 177.846 175.800 -0.109 0.000 1.116 319 F CA 1.692 59.543 58.000 -0.248 0.000 1.212 319 F CB -0.524 38.182 39.000 -0.491 0.000 0.998 319 F HN 0.228 nan 8.300 nan 0.000 0.471 320 D N -0.370 119.787 120.400 -0.406 0.000 2.097 320 D HA -0.200 4.478 4.640 0.063 0.000 0.195 320 D C 2.303 178.458 176.300 -0.241 0.000 0.989 320 D CA 2.462 56.245 54.000 -0.361 0.000 0.827 320 D CB -0.285 40.526 40.800 0.018 0.000 0.966 320 D HN 0.464 nan 8.370 nan 0.000 0.456 321 T N -1.834 112.682 114.554 -0.062 0.000 2.684 321 T HA -0.163 4.225 4.350 0.063 0.000 0.267 321 T C 2.135 176.877 174.700 0.070 0.000 1.036 321 T CA 1.529 63.712 62.100 0.139 0.000 1.148 321 T CB -0.970 67.992 68.868 0.157 0.000 0.863 321 T HN 0.014 nan 8.240 nan 0.000 0.436 322 V N 1.728 121.620 119.914 -0.037 0.000 2.427 322 V HA -0.134 4.023 4.120 0.063 0.000 0.248 322 V C 3.044 179.024 176.094 -0.189 0.000 1.051 322 V CA 2.137 64.426 62.300 -0.019 0.000 1.048 322 V CB -1.177 30.657 31.823 0.018 0.000 0.666 322 V HN 0.591 nan 8.190 nan 0.000 0.456 323 T N -0.370 113.934 114.554 -0.416 0.000 2.746 323 T HA -0.178 4.210 4.350 0.063 0.000 0.267 323 T C 1.977 176.457 174.700 -0.367 0.000 1.039 323 T CA 2.106 63.890 62.100 -0.527 0.000 1.142 323 T CB -0.304 68.023 68.868 -0.902 0.000 0.866 323 T HN 0.546 nan 8.240 nan 0.000 0.444 324 T N 1.968 116.350 114.554 -0.286 0.000 2.737 324 T HA 0.006 4.393 4.350 0.063 0.000 0.265 324 T C 2.401 176.891 174.700 -0.349 0.000 1.038 324 T CA 1.119 63.082 62.100 -0.229 0.000 1.144 324 T CB -0.550 68.185 68.868 -0.223 0.000 0.866 324 T HN 0.410 nan 8.240 nan 0.000 0.434 325 A N 1.312 123.813 122.820 -0.532 0.000 1.883 325 A HA -0.049 4.309 4.320 0.063 0.000 0.217 325 A C 2.307 179.893 177.584 0.003 0.000 1.186 325 A CA 1.352 53.222 52.037 -0.278 0.000 0.624 325 A CB -0.858 18.269 19.000 0.212 0.000 0.822 325 A HN 0.516 nan 8.150 nan 0.000 0.444 326 I N -0.810 119.735 120.570 -0.042 0.000 2.226 326 I HA -0.209 3.999 4.170 0.063 0.000 0.245 326 I C 2.837 178.923 176.117 -0.051 0.000 1.100 326 I CA 1.477 62.750 61.300 -0.045 0.000 1.374 326 I CB -0.255 37.647 38.000 -0.164 0.000 1.057 326 I HN 0.419 nan 8.210 nan 0.000 0.413 327 S N -0.069 115.584 115.700 -0.077 0.000 2.356 327 S HA -0.213 4.295 4.470 0.063 0.000 0.223 327 S C 1.833 176.445 174.600 0.020 0.000 1.032 327 S CA 1.306 59.507 58.200 0.002 0.000 1.005 327 S CB -0.378 62.891 63.200 0.115 0.000 0.867 327 S HN 0.459 nan 8.310 nan 0.000 0.449 328 W N 1.467 122.779 121.300 0.019 0.000 2.355 328 W HA -0.086 4.611 4.660 0.062 0.000 0.309 328 W C 2.992 179.445 176.519 -0.109 0.000 1.206 328 W CA 1.139 58.425 57.345 -0.099 0.000 1.284 328 W CB -0.636 28.800 29.460 -0.040 0.000 1.145 328 W HN 0.237 nan 8.180 nan 0.000 0.502 329 S N 0.653 116.528 115.700 0.293 0.000 2.359 329 S HA -0.243 4.265 4.470 0.063 0.000 0.223 329 S C 1.790 176.586 174.600 0.327 0.000 1.039 329 S CA 1.615 60.027 58.200 0.354 0.000 1.042 329 S CB -0.826 62.549 63.200 0.292 0.000 0.915 329 S HN 0.189 nan 8.310 nan 0.000 0.439 330 L N 0.705 121.964 121.223 0.060 0.000 2.042 330 L HA -0.149 4.229 4.340 0.063 0.000 0.210 330 L C 2.536 179.359 176.870 -0.079 0.000 1.076 330 L CA 0.916 55.681 54.840 -0.124 0.000 0.749 330 L CB -0.516 41.377 42.059 -0.276 0.000 0.893 330 L HN 0.344 nan 8.230 nan 0.000 0.432 331 M N -1.476 118.031 119.600 -0.154 0.000 2.175 331 M HA -0.189 4.329 4.480 0.063 0.000 0.264 331 M C 2.259 178.456 176.300 -0.172 0.000 1.063 331 M CA 1.659 56.798 55.300 -0.268 0.000 1.119 331 M CB -1.128 31.097 32.600 -0.625 0.000 1.377 331 M HN 0.200 nan 8.290 nan 0.000 0.415 332 Y N 0.437 120.731 120.300 -0.011 0.000 2.145 332 Y HA -0.211 4.377 4.550 0.063 0.000 0.286 332 Y C 2.424 178.283 175.900 -0.068 0.000 1.145 332 Y CA 0.844 58.860 58.100 -0.141 0.000 1.148 332 Y CB -0.327 37.981 38.460 -0.254 0.000 0.981 332 Y HN 0.103 nan 8.280 nan 0.000 0.507 333 L N -1.097 120.242 121.223 0.194 0.000 2.042 333 L HA -0.248 4.130 4.340 0.063 0.000 0.210 333 L C 2.292 179.198 176.870 0.060 0.000 1.076 333 L CA 0.862 55.741 54.840 0.064 0.000 0.749 333 L CB -0.816 41.236 42.059 -0.011 0.000 0.893 333 L HN 0.086 nan 8.230 nan 0.000 0.432 334 V N -0.653 119.298 119.914 0.062 0.000 2.392 334 V HA -0.283 3.874 4.120 0.063 0.000 0.249 334 V C 2.171 178.283 176.094 0.031 0.000 1.059 334 V CA 2.320 64.658 62.300 0.064 0.000 1.051 334 V CB -0.630 31.216 31.823 0.040 0.000 0.658 334 V HN 0.477 nan 8.190 nan 0.000 0.455 335 T N -1.412 113.151 114.554 0.015 0.000 3.107 335 T HA 0.124 4.512 4.350 0.063 0.000 0.249 335 T C 0.589 175.302 174.700 0.022 0.000 1.096 335 T CA 0.348 62.456 62.100 0.014 0.000 1.012 335 T CB -0.029 68.843 68.868 0.007 0.000 0.977 335 T HN 0.174 nan 8.240 nan 0.000 0.527 336 K N 1.061 121.478 120.400 0.028 0.000 3.050 336 K HA 0.326 4.684 4.320 0.063 0.000 0.185 336 K C -2.364 174.258 176.600 0.037 0.000 1.147 336 K CA -1.891 54.419 56.287 0.039 0.000 0.916 336 K CB 1.508 34.038 32.500 0.050 0.000 1.119 336 K HN -0.156 nan 8.250 nan 0.000 0.605 337 P HA -0.227 nan 4.420 nan 0.000 0.216 337 P C 0.510 177.806 177.300 -0.007 0.000 1.154 337 P CA 1.386 64.491 63.100 0.008 0.000 0.865 337 P CB 0.409 32.111 31.700 0.004 0.000 0.789 338 E N -0.761 119.443 120.200 0.007 0.000 2.077 338 E HA -0.148 4.240 4.350 0.063 0.000 0.193 338 E C 2.067 178.671 176.600 0.006 0.000 0.989 338 E CA 0.911 57.309 56.400 -0.002 0.000 0.800 338 E CB -0.557 29.153 29.700 0.016 0.000 0.746 338 E HN 0.265 nan 8.360 nan 0.000 0.452 339 I N 0.992 121.602 120.570 0.068 0.000 2.179 339 I HA -0.310 3.898 4.170 0.063 0.000 0.242 339 I C 2.836 178.973 176.117 0.033 0.000 1.088 339 I CA 1.255 62.643 61.300 0.147 0.000 1.357 339 I CB -0.314 37.835 38.000 0.249 0.000 1.051 339 I HN 0.165 nan 8.210 nan 0.000 0.409 340 Q N 1.167 120.944 119.800 -0.039 0.000 2.096 340 Q HA -0.241 4.137 4.340 0.063 0.000 0.204 340 Q C 2.416 178.362 176.000 -0.090 0.000 0.982 340 Q CA 1.686 57.432 55.803 -0.095 0.000 0.850 340 Q CB -0.012 28.699 28.738 -0.045 0.000 0.901 340 Q HN 0.363 nan 8.270 nan 0.000 0.422 341 R N 0.086 120.531 120.500 -0.092 0.000 2.081 341 R HA -0.105 4.272 4.340 0.063 0.000 0.235 341 R C 2.369 178.584 176.300 -0.142 0.000 1.131 341 R CA 1.562 57.581 56.100 -0.135 0.000 0.960 341 R CB -0.088 30.139 30.300 -0.123 0.000 0.856 341 R HN 0.267 nan 8.270 nan 0.000 0.436 342 K N 0.489 120.794 120.400 -0.158 0.000 2.032 342 K HA -0.142 4.215 4.320 0.063 0.000 0.209 342 K C 2.156 178.628 176.600 -0.214 0.000 1.048 342 K CA 1.452 57.562 56.287 -0.294 0.000 0.927 342 K CB -0.278 31.854 32.500 -0.613 0.000 0.712 342 K HN 0.148 nan 8.250 nan 0.000 0.441 343 I N 1.760 122.304 120.570 -0.044 0.000 2.151 343 I HA -0.363 3.845 4.170 0.063 0.000 0.243 343 I C 2.524 178.653 176.117 0.021 0.000 1.080 343 I CA 1.537 62.889 61.300 0.087 0.000 1.339 343 I CB -0.386 37.634 38.000 0.033 0.000 1.039 343 I HN 0.258 nan 8.210 nan 0.000 0.409 344 Q N 0.546 120.325 119.800 -0.036 0.000 2.084 344 Q HA -0.256 4.122 4.340 0.063 0.000 0.202 344 Q C 2.256 178.242 176.000 -0.023 0.000 0.978 344 Q CA 1.358 57.144 55.803 -0.029 0.000 0.844 344 Q CB -0.328 28.308 28.738 -0.170 0.000 0.898 344 Q HN 0.462 nan 8.270 nan 0.000 0.426 345 K N 1.375 121.733 120.400 -0.069 0.000 2.032 345 K HA -0.248 4.110 4.320 0.063 0.000 0.209 345 K C 2.043 178.632 176.600 -0.018 0.000 1.048 345 K CA 1.557 57.811 56.287 -0.055 0.000 0.927 345 K CB -0.040 32.405 32.500 -0.092 0.000 0.712 345 K HN 0.196 nan 8.250 nan 0.000 0.441 346 E N 0.527 120.717 120.200 -0.015 0.000 2.118 346 E HA -0.194 4.193 4.350 0.063 0.000 0.195 346 E C 2.113 178.749 176.600 0.059 0.000 0.992 346 E CA 0.996 57.414 56.400 0.030 0.000 0.804 346 E CB -0.017 29.726 29.700 0.073 0.000 0.741 346 E HN 0.343 nan 8.360 nan 0.000 0.458 347 L N 0.794 122.058 121.223 0.069 0.000 2.093 347 L HA -0.161 4.217 4.340 0.063 0.000 0.208 347 L C 2.450 179.361 176.870 0.070 0.000 1.085 347 L CA 0.920 55.808 54.840 0.080 0.000 0.755 347 L CB -0.332 41.780 42.059 0.088 0.000 0.904 347 L HN 0.169 nan 8.230 nan 0.000 0.435 348 D N -0.325 120.114 120.400 0.065 0.000 2.097 348 D HA -0.156 4.521 4.640 0.063 0.000 0.195 348 D C 1.988 178.314 176.300 0.043 0.000 0.989 348 D CA 1.903 55.939 54.000 0.060 0.000 0.827 348 D CB 0.225 41.059 40.800 0.058 0.000 0.966 348 D HN 0.270 nan 8.370 nan 0.000 0.456 349 T N 0.213 114.788 114.554 0.034 0.000 2.746 349 T HA -0.087 4.300 4.350 0.063 0.000 0.267 349 T C 2.149 176.867 174.700 0.031 0.000 1.039 349 T CA 0.887 63.003 62.100 0.027 0.000 1.142 349 T CB -0.130 68.750 68.868 0.020 0.000 0.866 349 T HN -0.010 nan 8.240 nan 0.000 0.444 350 V N 0.356 120.295 119.914 0.042 0.000 2.426 350 V HA 0.081 4.239 4.120 0.063 0.000 0.242 350 V C 2.078 178.197 176.094 0.042 0.000 1.036 350 V CA 1.091 63.417 62.300 0.044 0.000 1.044 350 V CB -0.297 31.562 31.823 0.060 0.000 0.688 350 V HN 0.362 nan 8.190 nan 0.000 0.462 351 I N -0.465 120.134 120.570 0.048 0.000 3.081 351 I HA 0.490 4.698 4.170 0.063 0.000 0.274 351 I C 1.410 177.548 176.117 0.034 0.000 1.178 351 I CA 1.077 62.402 61.300 0.042 0.000 1.460 351 I CB -0.413 37.617 38.000 0.050 0.000 1.137 351 I HN 0.394 nan 8.210 nan 0.000 0.443 352 G N 1.185 110.008 108.800 0.038 0.000 2.499 352 G HA2 -0.298 3.700 3.960 0.063 0.000 0.232 352 G HA3 -0.298 3.700 3.960 0.063 0.000 0.232 352 G C 0.370 175.293 174.900 0.038 0.000 1.251 352 G CA 0.239 45.360 45.100 0.034 0.000 0.917 352 G HN 0.275 nan 8.290 nan 0.000 0.580 353 R N -0.052 120.465 120.500 0.028 0.000 2.592 353 R HA 0.372 4.749 4.340 0.063 0.000 0.439 353 R C 1.111 177.416 176.300 0.009 0.000 0.995 353 R CA 0.730 56.843 56.100 0.021 0.000 1.141 353 R CB 0.128 30.442 30.300 0.023 0.000 1.495 353 R HN 0.399 nan 8.270 nan 0.000 0.579 354 E N 0.562 120.768 120.200 0.010 0.000 2.476 354 E HA 0.157 4.544 4.350 0.063 0.000 0.199 354 E C -0.088 176.514 176.600 0.002 0.000 1.021 354 E CA 0.256 56.659 56.400 0.004 0.000 0.907 354 E CB 0.491 30.195 29.700 0.005 0.000 0.974 354 E HN 0.434 nan 8.360 nan 0.000 0.489 355 R N -0.639 119.864 120.500 0.005 0.000 2.716 355 R HA 0.489 4.866 4.340 0.063 0.000 0.271 355 R C -0.633 175.670 176.300 0.006 0.000 1.028 355 R CA -0.838 55.263 56.100 0.003 0.000 0.883 355 R CB 1.435 31.736 30.300 0.003 0.000 1.250 355 R HN -0.265 nan 8.270 nan 0.000 0.465 356 R N 0.771 121.272 120.500 0.002 0.000 2.528 356 R HA 0.362 4.740 4.340 0.063 0.000 0.271 356 R C -2.289 174.018 176.300 0.011 0.000 1.056 356 R CA -1.833 54.268 56.100 0.003 0.000 1.117 356 R CB 0.552 30.849 30.300 -0.006 0.000 1.085 356 R HN 0.431 nan 8.270 nan 0.000 0.530 357 P HA 0.114 nan 4.420 nan 0.000 0.270 357 P C -0.519 176.807 177.300 0.044 0.000 1.223 357 P CA 0.066 63.190 63.100 0.041 0.000 0.785 357 P CB 0.650 32.361 31.700 0.019 0.000 0.923 358 R N 0.411 120.963 120.500 0.087 0.000 2.831 358 R HA 0.347 4.725 4.340 0.063 0.000 0.266 358 R C 0.560 176.927 176.300 0.111 0.000 1.051 358 R CA -0.925 55.209 56.100 0.058 0.000 0.943 358 R CB 0.310 30.610 30.300 0.000 0.000 1.228 358 R HN 0.178 nan 8.270 nan 0.000 0.467 359 L N 1.147 122.366 121.223 -0.007 0.000 2.046 359 L HA -0.129 4.248 4.340 0.063 0.000 0.208 359 L C 2.083 178.782 176.870 -0.284 0.000 1.077 359 L CA 2.258 56.997 54.840 -0.168 0.000 0.747 359 L CB -0.679 41.175 42.059 -0.341 0.000 0.896 359 L HN 0.843 nan 8.230 nan 0.000 0.432 360 S N -1.872 113.707 115.700 -0.201 0.000 2.537 360 S HA -0.130 4.378 4.470 0.063 0.000 0.240 360 S C 1.257 175.779 174.600 -0.129 0.000 0.981 360 S CA 1.080 59.172 58.200 -0.179 0.000 0.948 360 S CB -0.511 62.616 63.200 -0.122 0.000 0.759 360 S HN 0.468 nan 8.310 nan 0.000 0.531 361 D N 0.907 121.258 120.400 -0.082 0.000 2.360 361 D HA 0.144 4.821 4.640 0.063 0.000 0.210 361 D C 1.806 178.054 176.300 -0.087 0.000 1.047 361 D CA -0.003 53.987 54.000 -0.016 0.000 0.854 361 D CB -0.146 40.715 40.800 0.101 0.000 0.936 361 D HN 0.418 nan 8.370 nan 0.000 0.514 362 R N 0.890 121.177 120.500 -0.356 0.000 2.096 362 R HA -0.126 4.251 4.340 0.063 0.000 0.240 362 R C -0.743 175.367 176.300 -0.317 0.000 1.139 362 R CA 1.492 57.173 56.100 -0.698 0.000 0.952 362 R CB -0.637 29.029 30.300 -1.057 0.000 0.854 362 R HN 0.130 nan 8.270 nan 0.000 0.436 363 P HA -0.097 nan 4.420 nan 0.000 0.218 363 P C 0.456 177.732 177.300 -0.039 0.000 1.149 363 P CA 1.223 64.263 63.100 -0.101 0.000 0.817 363 P CB 0.115 31.766 31.700 -0.081 0.000 0.785 364 Q N -1.521 118.264 119.800 -0.026 0.000 2.444 364 Q HA 0.075 4.453 4.340 0.063 0.000 0.206 364 Q C 0.250 176.291 176.000 0.069 0.000 0.948 364 Q CA 0.636 56.453 55.803 0.022 0.000 0.946 364 Q CB -0.242 28.509 28.738 0.021 0.000 1.027 364 Q HN 0.122 nan 8.270 nan 0.000 0.513 365 L N 0.827 122.107 121.223 0.094 0.000 2.959 365 L HA 0.292 4.669 4.340 0.063 0.000 0.236 365 L C -1.868 175.114 176.870 0.186 0.000 1.296 365 L CA -1.965 52.986 54.840 0.186 0.000 1.047 365 L CB 0.464 42.722 42.059 0.333 0.000 1.395 365 L HN -0.015 nan 8.230 nan 0.000 0.492 366 P HA -0.281 nan 4.420 nan 0.000 0.217 366 P C 1.479 178.884 177.300 0.176 0.000 1.158 366 P CA 1.605 64.789 63.100 0.139 0.000 0.887 366 P CB 0.105 31.887 31.700 0.137 0.000 0.792 367 Y N -0.325 120.045 120.300 0.116 0.000 2.293 367 Y HA -0.135 4.452 4.550 0.063 0.000 0.291 367 Y C 2.131 178.140 175.900 0.181 0.000 1.137 367 Y CA 0.979 59.156 58.100 0.128 0.000 1.202 367 Y CB -0.817 37.698 38.460 0.093 0.000 0.990 367 Y HN -0.195 nan 8.280 nan 0.000 0.537 368 L N 0.613 121.987 121.223 0.250 0.000 2.056 368 L HA -0.142 4.235 4.340 0.063 0.000 0.207 368 L C 1.985 178.995 176.870 0.233 0.000 1.078 368 L CA 1.893 56.887 54.840 0.257 0.000 0.749 368 L CB -0.880 41.358 42.059 0.297 0.000 0.901 368 L HN 0.273 nan 8.230 nan 0.000 0.433 369 E N -0.036 120.289 120.200 0.208 0.000 2.085 369 E HA -0.236 4.151 4.350 0.063 0.000 0.194 369 E C 2.084 178.669 176.600 -0.025 0.000 0.994 369 E CA 1.258 57.724 56.400 0.110 0.000 0.801 369 E CB -0.412 29.321 29.700 0.055 0.000 0.743 369 E HN 0.644 nan 8.360 nan 0.000 0.453 370 A N 0.909 123.702 122.820 -0.046 0.000 2.066 370 A HA -0.127 4.231 4.320 0.063 0.000 0.218 370 A C 1.883 179.381 177.584 -0.143 0.000 1.157 370 A CA 0.670 52.658 52.037 -0.082 0.000 0.670 370 A CB -0.529 18.431 19.000 -0.066 0.000 0.804 370 A HN 0.320 nan 8.150 nan 0.000 0.453 371 F N 0.872 120.649 119.950 -0.287 0.000 2.128 371 F HA -0.084 4.481 4.527 0.063 0.000 0.295 371 F C 1.857 177.565 175.800 -0.153 0.000 1.100 371 F CA 1.379 59.253 58.000 -0.212 0.000 1.260 371 F CB -0.338 38.598 39.000 -0.106 0.000 1.009 371 F HN 0.175 nan 8.300 nan 0.000 0.476 372 I N 0.254 120.618 120.570 -0.343 0.000 2.127 372 I HA -0.343 3.865 4.170 0.063 0.000 0.241 372 I C 2.467 178.113 176.117 -0.785 0.000 1.075 372 I CA 1.520 62.465 61.300 -0.592 0.000 1.334 372 I CB -0.767 37.041 38.000 -0.321 0.000 1.040 372 I HN 0.185 nan 8.210 nan 0.000 0.405 373 L N 0.372 121.262 121.223 -0.556 0.000 2.043 373 L HA -0.247 4.131 4.340 0.063 0.000 0.212 373 L C 2.593 179.204 176.870 -0.432 0.000 1.075 373 L CA 1.469 55.965 54.840 -0.574 0.000 0.752 373 L CB -0.544 40.925 42.059 -0.984 0.000 0.891 373 L HN 0.265 nan 8.230 nan 0.000 0.432 374 E N -0.327 119.661 120.200 -0.354 0.000 2.208 374 E HA -0.133 4.255 4.350 0.063 0.000 0.193 374 E C 1.974 178.297 176.600 -0.462 0.000 0.988 374 E CA 1.397 57.564 56.400 -0.389 0.000 0.828 374 E CB -0.030 29.256 29.700 -0.690 0.000 0.763 374 E HN 0.288 nan 8.360 nan 0.000 0.478 375 T N 0.078 114.379 114.554 -0.421 0.000 2.708 375 T HA -0.104 4.283 4.350 0.063 0.000 0.266 375 T C 1.543 176.331 174.700 0.146 0.000 1.037 375 T CA 1.434 63.479 62.100 -0.091 0.000 1.146 375 T CB -0.494 68.228 68.868 -0.244 0.000 0.865 375 T HN 0.226 nan 8.240 nan 0.000 0.435 376 F N 1.022 120.956 119.950 -0.027 0.000 2.102 376 F HA -0.102 4.463 4.527 0.063 0.000 0.298 376 F C 2.950 178.669 175.800 -0.135 0.000 1.105 376 F CA 0.821 58.811 58.000 -0.017 0.000 1.239 376 F CB -0.178 38.781 39.000 -0.069 0.000 0.991 376 F HN 0.002 nan 8.300 nan 0.000 0.474 377 R N -0.086 120.403 120.500 -0.017 0.000 2.070 377 R HA -0.202 4.175 4.340 0.063 0.000 0.232 377 R C 2.447 178.557 176.300 -0.318 0.000 1.138 377 R CA 1.698 57.637 56.100 -0.268 0.000 0.936 377 R CB -0.850 29.193 30.300 -0.428 0.000 0.839 377 R HN 0.304 nan 8.270 nan 0.000 0.429 378 H N 0.279 119.157 119.070 -0.320 0.000 2.319 378 H HA -0.107 4.486 4.556 0.063 0.000 0.299 378 H C 2.121 177.480 175.328 0.051 0.000 1.092 378 H CA 2.281 58.231 56.048 -0.164 0.000 1.302 378 H CB -0.051 29.628 29.762 -0.139 0.000 1.373 378 H HN 0.388 nan 8.280 nan 0.000 0.497 379 S N -0.144 115.616 115.700 0.101 0.000 2.387 379 S HA -0.083 4.424 4.470 0.063 0.000 0.226 379 S C 1.257 175.824 174.600 -0.056 0.000 1.026 379 S CA 0.809 58.918 58.200 -0.152 0.000 0.972 379 S CB -0.276 62.608 63.200 -0.527 0.000 0.814 379 S HN 0.408 nan 8.310 nan 0.000 0.477 380 S N 1.547 117.244 115.700 -0.006 0.000 3.559 380 S HA -0.169 4.339 4.470 0.063 0.000 0.369 380 S C 0.340 174.904 174.600 -0.060 0.000 0.987 380 S CA 0.609 58.778 58.200 -0.052 0.000 1.187 380 S CB -2.419 60.794 63.200 0.021 0.000 0.914 380 S HN 0.814 nan 8.310 nan 0.000 0.480 381 F N -1.044 118.810 119.950 -0.159 0.000 2.449 381 F HA 0.207 4.771 4.527 0.062 0.000 0.299 381 F C 0.528 176.267 175.800 -0.102 0.000 1.092 381 F CA 0.370 58.300 58.000 -0.116 0.000 1.446 381 F CB -0.026 38.951 39.000 -0.039 0.000 1.084 381 F HN 0.288 nan 8.300 nan 0.000 0.567 382 L N 3.397 124.310 121.223 -0.516 0.000 2.360 382 L HA 0.335 4.712 4.340 0.063 0.000 0.265 382 L C -1.358 175.362 176.870 -0.249 0.000 1.066 382 L CA -1.745 52.863 54.840 -0.387 0.000 0.929 382 L CB 0.900 42.637 42.059 -0.536 0.000 1.306 382 L HN -0.208 nan 8.230 nan 0.000 0.434 383 P HA -0.135 nan 4.420 nan 0.000 0.218 383 P C 0.073 177.166 177.300 -0.346 0.000 1.149 383 P CA 1.338 64.289 63.100 -0.247 0.000 0.817 383 P CB 0.228 31.652 31.700 -0.460 0.000 0.785 384 F N -0.663 119.254 119.950 -0.056 0.000 2.603 384 F HA 0.307 4.872 4.527 0.064 0.000 0.317 384 F C 1.256 177.020 175.800 -0.060 0.000 1.066 384 F CA -0.742 57.240 58.000 -0.030 0.000 0.941 384 F CB 1.266 40.225 39.000 -0.068 0.000 1.291 384 F HN -0.321 nan 8.300 nan 0.000 0.472 385 T N -0.693 113.980 114.554 0.198 0.000 2.754 385 T HA 0.484 4.871 4.350 0.063 0.000 0.286 385 T C 0.280 175.068 174.700 0.147 0.000 0.997 385 T CA -0.733 61.440 62.100 0.122 0.000 0.982 385 T CB 0.601 69.564 68.868 0.159 0.000 1.027 385 T HN 0.383 nan 8.240 nan 0.000 0.529 386 I N 2.275 122.903 120.570 0.096 0.000 2.752 386 I HA 0.154 4.362 4.170 0.063 0.000 0.287 386 I C -1.932 174.283 176.117 0.163 0.000 1.188 386 I CA -1.947 59.391 61.300 0.063 0.000 1.427 386 I CB 0.334 38.270 38.000 -0.106 0.000 1.365 386 I HN 0.492 nan 8.210 nan 0.000 0.585 387 P HA 0.010 nan 4.420 nan 0.000 0.266 387 P C -0.630 176.819 177.300 0.249 0.000 1.193 387 P CA 0.543 63.819 63.100 0.293 0.000 0.770 387 P CB 0.368 32.263 31.700 0.326 0.000 0.836 388 H N -0.393 118.772 119.070 0.158 0.000 2.713 388 H HA 0.638 5.232 4.556 0.063 0.000 0.340 388 H C -0.332 175.039 175.328 0.072 0.000 1.271 388 H CA -0.750 55.353 56.048 0.093 0.000 1.306 388 H CB 2.052 31.898 29.762 0.140 0.000 1.839 388 H HN 0.317 nan 8.280 nan 0.000 0.627 389 S N 0.311 116.081 115.700 0.118 0.000 2.537 389 S HA 0.197 4.705 4.470 0.063 0.000 0.270 389 S C -0.878 173.672 174.600 -0.083 0.000 1.142 389 S CA -0.810 57.396 58.200 0.010 0.000 0.870 389 S CB 1.301 64.479 63.200 -0.037 0.000 1.112 389 S HN 0.741 nan 8.310 nan 0.000 0.466 390 T N 0.972 115.413 114.554 -0.188 0.000 2.869 390 T HA 0.359 4.746 4.350 0.063 0.000 0.295 390 T C 1.463 176.020 174.700 -0.238 0.000 0.987 390 T CA 0.179 62.064 62.100 -0.358 0.000 1.109 390 T CB 0.909 69.489 68.868 -0.480 0.000 0.932 390 T HN 0.796 nan 8.240 nan 0.000 0.518 391 T N -0.431 113.981 114.554 -0.237 0.000 3.067 391 T HA 0.163 4.551 4.350 0.063 0.000 0.257 391 T C 0.738 175.363 174.700 -0.124 0.000 1.105 391 T CA -0.274 61.735 62.100 -0.150 0.000 1.104 391 T CB -0.261 68.536 68.868 -0.119 0.000 0.925 391 T HN 0.977 nan 8.240 nan 0.000 0.498 392 R N -0.474 119.932 120.500 -0.157 0.000 2.747 392 R HA 0.508 4.886 4.340 0.063 0.000 0.272 392 R C -2.128 174.089 176.300 -0.138 0.000 1.032 392 R CA -0.961 55.076 56.100 -0.105 0.000 0.896 392 R CB 0.212 30.473 30.300 -0.065 0.000 1.253 392 R HN -0.142 nan 8.270 nan 0.000 0.461 393 D N 1.536 121.890 120.400 -0.077 0.000 2.414 393 D HA 0.308 4.985 4.640 0.063 0.000 0.242 393 D C -0.173 176.079 176.300 -0.081 0.000 1.129 393 D CA 0.918 54.864 54.000 -0.090 0.000 0.885 393 D CB 1.273 42.149 40.800 0.126 0.000 1.198 393 D HN 0.635 nan 8.370 nan 0.000 0.437 394 T N -2.409 112.056 114.554 -0.148 0.000 2.671 394 T HA 0.731 5.118 4.350 0.063 0.000 0.300 394 T C -0.554 174.149 174.700 0.004 0.000 1.238 394 T CA -1.035 61.041 62.100 -0.041 0.000 1.020 394 T CB 1.479 70.329 68.868 -0.031 0.000 1.503 394 T HN 0.305 nan 8.240 nan 0.000 0.497 395 T N -0.486 114.117 114.554 0.082 0.000 2.861 395 T HA 0.699 5.087 4.350 0.063 0.000 0.287 395 T C -1.350 173.430 174.700 0.133 0.000 1.003 395 T CA -0.850 61.320 62.100 0.116 0.000 0.977 395 T CB 1.502 70.434 68.868 0.107 0.000 0.996 395 T HN 0.754 nan 8.240 nan 0.000 0.448 396 L N 3.462 124.785 121.223 0.167 0.000 2.372 396 L HA 0.592 4.969 4.340 0.063 0.000 0.274 396 L C -0.220 176.722 176.870 0.121 0.000 0.988 396 L CA 0.178 55.116 54.840 0.163 0.000 0.833 396 L CB 0.675 42.862 42.059 0.214 0.000 1.236 396 L HN 0.845 nan 8.230 nan 0.000 0.410 397 N N 4.223 122.934 118.700 0.019 0.000 2.740 397 N HA -0.204 4.574 4.740 0.063 0.000 0.248 397 N C 1.022 176.330 175.510 -0.337 0.000 1.062 397 N CA 1.435 54.434 53.050 -0.086 0.000 0.704 397 N CB -1.238 37.258 38.487 0.016 0.000 0.968 397 N HN 1.246 nan 8.380 nan 0.000 0.547 398 G N -2.219 106.440 108.800 -0.235 0.000 2.234 398 G HA2 -0.345 3.653 3.960 0.063 0.000 0.260 398 G HA3 -0.345 3.653 3.960 0.063 0.000 0.260 398 G C 0.091 174.821 174.900 -0.284 0.000 0.987 398 G CA 0.426 45.344 45.100 -0.304 0.000 0.625 398 G HN 0.426 nan 8.290 nan 0.000 0.532 399 F N 0.209 120.201 119.950 0.070 0.000 2.394 399 F HA 0.579 5.144 4.527 0.063 0.000 0.340 399 F C 0.660 176.524 175.800 0.107 0.000 1.105 399 F CA -1.373 56.679 58.000 0.086 0.000 1.124 399 F CB 0.740 39.776 39.000 0.061 0.000 1.145 399 F HN 0.138 nan 8.300 nan 0.000 0.505 400 Y N 4.560 124.984 120.300 0.207 0.000 2.442 400 Y HA 0.471 5.058 4.550 0.063 0.000 0.330 400 Y C -0.658 175.306 175.900 0.106 0.000 1.129 400 Y CA -0.568 57.603 58.100 0.119 0.000 1.365 400 Y CB 0.257 38.762 38.460 0.076 0.000 1.233 400 Y HN 0.415 nan 8.280 nan 0.000 0.529 401 I N 9.443 129.611 120.570 -0.670 0.000 2.478 401 I HA 0.321 4.528 4.170 0.063 0.000 0.287 401 I C -2.389 173.183 176.117 -0.908 0.000 1.042 401 I CA -2.289 58.669 61.300 -0.570 0.000 1.067 401 I CB 2.286 40.163 38.000 -0.206 0.000 1.233 401 I HN 0.519 nan 8.210 nan 0.000 0.431 402 P HA 0.117 nan 4.420 nan 0.000 0.276 402 P C -0.883 176.266 177.300 -0.250 0.000 1.244 402 P CA -0.610 62.225 63.100 -0.441 0.000 0.801 402 P CB 1.056 32.683 31.700 -0.122 0.000 1.006 403 K N 1.722 122.034 120.400 -0.148 0.000 2.469 403 K HA -0.060 4.298 4.320 0.063 0.000 0.274 403 K C 0.303 176.839 176.600 -0.106 0.000 0.983 403 K CA 0.216 56.427 56.287 -0.127 0.000 0.974 403 K CB -0.168 32.289 32.500 -0.071 0.000 0.913 403 K HN 0.397 nan 8.250 nan 0.000 0.493 404 K N 0.507 120.840 120.400 -0.113 0.000 3.230 404 K HA -0.206 4.152 4.320 0.063 0.000 0.285 404 K C -0.579 175.974 176.600 -0.078 0.000 1.196 404 K CA 0.593 56.829 56.287 -0.085 0.000 0.838 404 K CB -2.175 30.291 32.500 -0.058 0.000 1.262 404 K HN 0.630 nan 8.250 nan 0.000 0.492 405 C N 0.986 120.222 119.300 -0.106 0.000 2.499 405 C HA 0.346 4.844 4.460 0.063 0.000 0.386 405 C C 1.513 176.469 174.990 -0.057 0.000 1.293 405 C CA -0.878 58.086 59.018 -0.090 0.000 1.884 405 C CB -0.334 27.334 27.740 -0.119 0.000 2.509 405 C HN 0.620 nan 8.230 nan 0.000 0.566 406 C N 6.485 125.759 119.300 -0.043 0.000 2.662 406 C HA 0.577 5.075 4.460 0.063 0.000 0.420 406 C C -0.042 174.908 174.990 -0.066 0.000 1.314 406 C CA 0.060 59.069 59.018 -0.015 0.000 1.963 406 C CB -0.989 26.758 27.740 0.012 0.000 2.686 406 C HN 0.765 nan 8.230 nan 0.000 0.609 407 V N 7.014 126.961 119.914 0.056 0.000 2.623 407 V HA 0.457 4.615 4.120 0.063 0.000 0.304 407 V C -0.449 175.828 176.094 0.305 0.000 1.054 407 V CA -0.285 62.077 62.300 0.102 0.000 0.882 407 V CB 1.493 33.463 31.823 0.245 0.000 1.002 407 V HN 0.811 nan 8.190 nan 0.000 0.424 408 F N 2.830 122.825 119.950 0.075 0.000 2.443 408 F HA 0.678 5.242 4.527 0.061 0.000 0.335 408 F C -0.093 175.812 175.800 0.174 0.000 1.104 408 F CA -1.233 56.820 58.000 0.089 0.000 1.013 408 F CB 2.295 41.274 39.000 -0.035 0.000 1.136 408 F HN 0.176 nan 8.300 nan 0.000 0.470 409 V N 2.929 123.104 119.914 0.434 0.000 2.376 409 V HA 0.148 4.305 4.120 0.063 0.000 0.287 409 V C -0.254 176.030 176.094 0.316 0.000 1.015 409 V CA -0.900 61.555 62.300 0.258 0.000 0.834 409 V CB 1.363 33.225 31.823 0.065 0.000 1.001 409 V HN 0.606 nan 8.190 nan 0.000 0.428 410 N N 3.979 122.813 118.700 0.223 0.000 2.605 410 N HA 0.146 4.924 4.740 0.063 0.000 0.258 410 N C 1.131 176.634 175.510 -0.012 0.000 1.156 410 N CA 0.194 53.229 53.050 -0.025 0.000 1.008 410 N CB 0.974 39.477 38.487 0.027 0.000 1.354 410 N HN 0.669 nan 8.380 nan 0.000 0.509 411 Q N 1.134 120.903 119.800 -0.051 0.000 2.167 411 Q HA -0.152 4.226 4.340 0.063 0.000 0.202 411 Q C 1.264 177.277 176.000 0.022 0.000 0.970 411 Q CA 1.104 56.892 55.803 -0.025 0.000 0.855 411 Q CB 0.093 28.781 28.738 -0.084 0.000 0.911 411 Q HN 0.718 nan 8.270 nan 0.000 0.438 412 W N 1.585 122.786 121.300 -0.164 0.000 2.388 412 W HA -0.192 4.506 4.660 0.064 0.000 0.294 412 W C 2.329 178.897 176.519 0.081 0.000 1.212 412 W CA 1.170 58.482 57.345 -0.056 0.000 1.271 412 W CB 0.152 29.521 29.460 -0.153 0.000 1.126 412 W HN 0.071 nan 8.180 nan 0.000 0.535 413 Q N 0.450 120.466 119.800 0.360 0.000 2.050 413 Q HA -0.170 4.208 4.340 0.063 0.000 0.202 413 Q C 2.131 178.219 176.000 0.147 0.000 0.980 413 Q CA 2.120 58.098 55.803 0.293 0.000 0.840 413 Q CB -0.906 27.971 28.738 0.233 0.000 0.898 413 Q HN 0.291 nan 8.270 nan 0.000 0.424 414 V N 2.208 122.194 119.914 0.119 0.000 2.332 414 V HA -0.267 3.891 4.120 0.063 0.000 0.248 414 V C 1.795 178.021 176.094 0.220 0.000 1.055 414 V CA 2.030 64.412 62.300 0.138 0.000 1.038 414 V CB -0.590 31.293 31.823 0.101 0.000 0.651 414 V HN 0.363 nan 8.190 nan 0.000 0.450 415 N N -0.839 117.870 118.700 0.015 0.000 2.494 415 N HA -0.057 4.721 4.740 0.063 0.000 0.182 415 N C 1.092 176.052 175.510 -0.916 0.000 1.076 415 N CA 0.770 53.617 53.050 -0.339 0.000 0.908 415 N CB -0.137 38.079 38.487 -0.451 0.000 0.967 415 N HN 0.649 nan 8.380 nan 0.000 0.449 416 H N -1.387 117.407 119.070 -0.459 0.000 2.916 416 H HA 0.170 4.763 4.556 0.063 0.000 0.262 416 H C -0.624 174.662 175.328 -0.070 0.000 1.178 416 H CA -0.765 54.983 56.048 -0.500 0.000 1.090 416 H CB 0.298 29.414 29.762 -1.076 0.000 1.657 416 H HN -0.019 nan 8.280 nan 0.000 0.601 417 D N 2.024 122.551 120.400 0.212 0.000 2.451 417 D HA -0.040 4.638 4.640 0.063 0.000 0.254 417 D C -1.481 174.931 176.300 0.187 0.000 1.204 417 D CA -1.594 52.523 54.000 0.197 0.000 0.896 417 D CB 1.258 42.155 40.800 0.162 0.000 1.136 417 D HN 0.114 nan 8.370 nan 0.000 0.499 418 P HA -0.167 nan 4.420 nan 0.000 0.216 418 P C 1.006 178.333 177.300 0.044 0.000 1.153 418 P CA 1.096 64.247 63.100 0.084 0.000 0.858 418 P CB 0.181 31.921 31.700 0.067 0.000 0.789 419 E N -0.901 119.308 120.200 0.016 0.000 2.274 419 E HA -0.085 4.302 4.350 0.063 0.000 0.194 419 E C 1.707 178.241 176.600 -0.111 0.000 0.996 419 E CA 0.515 56.895 56.400 -0.034 0.000 0.840 419 E CB -0.302 29.382 29.700 -0.027 0.000 0.772 419 E HN 0.214 nan 8.360 nan 0.000 0.491 420 L N -0.507 120.622 121.223 -0.157 0.000 2.408 420 L HA 0.121 4.499 4.340 0.063 0.000 0.215 420 L C -0.077 176.341 176.870 -0.753 0.000 1.081 420 L CA 0.060 54.611 54.840 -0.481 0.000 0.840 420 L CB 0.301 42.005 42.059 -0.591 0.000 1.002 420 L HN 0.106 nan 8.230 nan 0.000 0.468 421 W N -1.201 120.032 121.300 -0.112 0.000 2.950 421 W HA 0.366 5.064 4.660 0.063 0.000 0.340 421 W C 0.940 177.387 176.519 -0.121 0.000 1.139 421 W CA -0.705 56.552 57.345 -0.147 0.000 1.188 421 W CB 0.885 30.221 29.460 -0.206 0.000 1.426 421 W HN -0.251 nan 8.180 nan 0.000 0.531 422 E N 0.688 120.952 120.200 0.108 0.000 1.983 422 E HA -0.204 4.184 4.350 0.063 0.000 0.208 422 E C -0.516 176.110 176.600 0.044 0.000 1.006 422 E CA 1.462 57.886 56.400 0.039 0.000 0.872 422 E CB -0.031 29.671 29.700 0.004 0.000 0.806 422 E HN 0.419 nan 8.360 nan 0.000 0.510 423 D N 0.483 120.897 120.400 0.025 0.000 2.485 423 D HA 0.075 4.752 4.640 0.063 0.000 0.256 423 D C -1.797 174.505 176.300 0.003 0.000 1.141 423 D CA -1.085 52.930 54.000 0.025 0.000 0.942 423 D CB 1.249 42.063 40.800 0.024 0.000 1.003 423 D HN 0.062 nan 8.370 nan 0.000 0.507 424 P HA -0.258 nan 4.420 nan 0.000 0.217 424 P C 0.951 178.214 177.300 -0.061 0.000 1.158 424 P CA 1.249 64.278 63.100 -0.119 0.000 0.887 424 P CB 0.276 31.948 31.700 -0.046 0.000 0.792 425 S N -0.731 115.016 115.700 0.078 0.000 2.515 425 S HA -0.051 4.456 4.470 0.063 0.000 0.231 425 S C 0.969 175.745 174.600 0.293 0.000 0.987 425 S CA 0.329 58.639 58.200 0.183 0.000 0.936 425 S CB -0.418 62.887 63.200 0.175 0.000 0.766 425 S HN 0.377 nan 8.310 nan 0.000 0.528 426 E N 0.324 120.625 120.200 0.168 0.000 2.242 426 E HA 0.319 4.707 4.350 0.063 0.000 0.275 426 E C -1.209 175.413 176.600 0.036 0.000 1.002 426 E CA -0.794 55.685 56.400 0.131 0.000 0.841 426 E CB 0.613 30.351 29.700 0.064 0.000 1.109 426 E HN 0.185 nan 8.360 nan 0.000 0.394 427 F N 4.806 124.610 119.950 -0.243 0.000 2.423 427 F HA 0.269 4.834 4.527 0.062 0.000 0.356 427 F C -0.387 175.295 175.800 -0.197 0.000 1.170 427 F CA -0.239 57.511 58.000 -0.418 0.000 1.163 427 F CB 0.107 38.740 39.000 -0.612 0.000 1.318 427 F HN 0.270 nan 8.300 nan 0.000 0.569 428 R N 6.907 127.092 120.500 -0.526 0.000 2.472 428 R HA 0.209 4.586 4.340 0.063 0.000 0.294 428 R C -2.392 173.714 176.300 -0.324 0.000 1.243 428 R CA -1.570 54.362 56.100 -0.281 0.000 1.023 428 R CB 1.212 31.421 30.300 -0.152 0.000 1.157 428 R HN 0.324 nan 8.270 nan 0.000 0.530 429 P HA -0.139 nan 4.420 nan 0.000 0.219 429 P C 0.555 177.798 177.300 -0.095 0.000 1.146 429 P CA 1.114 64.092 63.100 -0.204 0.000 0.808 429 P CB 0.463 32.002 31.700 -0.268 0.000 0.779 430 E N -0.166 120.031 120.200 -0.006 0.000 2.204 430 E HA -0.190 4.197 4.350 0.063 0.000 0.195 430 E C 2.016 178.595 176.600 -0.036 0.000 0.990 430 E CA 0.792 57.224 56.400 0.054 0.000 0.821 430 E CB -0.758 29.002 29.700 0.099 0.000 0.750 430 E HN 0.374 nan 8.360 nan 0.000 0.477 431 R N 0.066 120.469 120.500 -0.161 0.000 2.249 431 R HA -0.125 4.252 4.340 0.063 0.000 0.230 431 R C 0.881 176.954 176.300 -0.378 0.000 1.121 431 R CA 1.224 57.156 56.100 -0.280 0.000 0.997 431 R CB -0.381 29.688 30.300 -0.386 0.000 0.867 431 R HN 0.184 nan 8.270 nan 0.000 0.465 432 F N 0.565 120.512 119.950 -0.006 0.000 2.749 432 F HA 0.292 4.857 4.527 0.063 0.000 0.300 432 F C 0.355 176.162 175.800 0.012 0.000 1.103 432 F CA -0.550 57.456 58.000 0.010 0.000 1.342 432 F CB 0.200 39.187 39.000 -0.022 0.000 1.098 432 F HN -0.138 nan 8.300 nan 0.000 0.586 433 L N 0.147 121.448 121.223 0.131 0.000 2.418 433 L HA 0.271 4.648 4.340 0.063 0.000 0.265 433 L C 1.009 177.928 176.870 0.081 0.000 1.143 433 L CA -0.405 54.505 54.840 0.117 0.000 0.809 433 L CB 0.340 42.477 42.059 0.130 0.000 1.124 433 L HN 0.036 nan 8.230 nan 0.000 0.456 434 T N -0.886 113.713 114.554 0.075 0.000 2.855 434 T HA 0.243 4.631 4.350 0.063 0.000 0.314 434 T C 1.445 176.171 174.700 0.042 0.000 1.077 434 T CA -0.157 61.974 62.100 0.052 0.000 1.095 434 T CB 0.501 69.396 68.868 0.045 0.000 0.987 434 T HN 0.676 nan 8.240 nan 0.000 0.546 435 A N 1.887 124.724 122.820 0.028 0.000 1.940 435 A HA -0.217 4.141 4.320 0.063 0.000 0.221 435 A C 1.907 179.506 177.584 0.026 0.000 1.190 435 A CA 2.088 54.138 52.037 0.021 0.000 0.647 435 A CB -0.985 18.023 19.000 0.012 0.000 0.821 435 A HN 1.010 nan 8.150 nan 0.000 0.457 436 D N -1.366 119.050 120.400 0.028 0.000 2.319 436 D HA 0.245 4.923 4.640 0.063 0.000 0.230 436 D C 1.044 177.369 176.300 0.041 0.000 1.094 436 D CA 0.643 54.660 54.000 0.029 0.000 0.856 436 D CB -1.116 39.698 40.800 0.023 0.000 0.915 436 D HN 0.835 nan 8.370 nan 0.000 0.517 437 G N 1.267 110.100 108.800 0.054 0.000 2.390 437 G HA2 -0.328 3.670 3.960 0.063 0.000 0.299 437 G HA3 -0.328 3.670 3.960 0.063 0.000 0.299 437 G C 0.814 175.763 174.900 0.081 0.000 1.002 437 G CA 1.177 46.325 45.100 0.081 0.000 0.979 437 G HN 0.643 nan 8.290 nan 0.000 0.513 438 T N -4.748 109.846 114.554 0.066 0.000 3.040 438 T HA 0.744 5.132 4.350 0.063 0.000 0.266 438 T C 0.726 175.462 174.700 0.060 0.000 1.005 438 T CA 1.090 63.226 62.100 0.060 0.000 0.906 438 T CB 0.757 69.650 68.868 0.040 0.000 1.082 438 T HN 1.843 nan 8.240 nan 0.000 0.531 439 A N 0.415 123.275 122.820 0.066 0.000 2.564 439 A HA 0.720 5.078 4.320 0.063 0.000 0.291 439 A C -1.816 175.812 177.584 0.073 0.000 1.102 439 A CA -0.875 51.198 52.037 0.059 0.000 0.660 439 A CB 0.582 19.607 19.000 0.041 0.000 1.283 439 A HN 0.195 nan 8.150 nan 0.000 0.430 440 I N 1.730 122.340 120.570 0.067 0.000 2.428 440 I HA 0.219 4.426 4.170 0.063 0.000 0.289 440 I C 0.486 176.657 176.117 0.091 0.000 1.019 440 I CA -0.433 60.920 61.300 0.089 0.000 1.351 440 I CB 1.041 39.080 38.000 0.064 0.000 1.412 440 I HN 0.583 nan 8.210 nan 0.000 0.513 441 N N 5.763 124.538 118.700 0.125 0.000 2.406 441 N HA -0.014 4.764 4.740 0.063 0.000 0.269 441 N C 0.753 176.335 175.510 0.121 0.000 1.210 441 N CA 0.250 53.363 53.050 0.106 0.000 0.966 441 N CB 0.423 38.973 38.487 0.106 0.000 1.293 441 N HN 0.325 nan 8.380 nan 0.000 0.491 442 K N 4.361 124.807 120.400 0.076 0.000 2.057 442 K HA -0.014 4.344 4.320 0.063 0.000 0.207 442 K C -0.901 175.738 176.600 0.065 0.000 1.049 442 K CA 1.327 57.652 56.287 0.063 0.000 0.931 442 K CB -0.826 31.695 32.500 0.036 0.000 0.714 442 K HN 0.463 nan 8.250 nan 0.000 0.440 443 P HA -0.166 nan 4.420 nan 0.000 0.215 443 P C 1.215 178.544 177.300 0.048 0.000 1.157 443 P CA 0.887 64.005 63.100 0.030 0.000 0.868 443 P CB 0.114 31.818 31.700 0.007 0.000 0.788 444 L N -0.211 121.060 121.223 0.080 0.000 2.141 444 L HA -0.112 4.266 4.340 0.063 0.000 0.209 444 L C 2.247 179.328 176.870 0.352 0.000 1.094 444 L CA 1.962 56.874 54.840 0.120 0.000 0.763 444 L CB -1.439 40.675 42.059 0.092 0.000 0.908 444 L HN -0.016 nan 8.230 nan 0.000 0.437 445 S N -1.170 114.736 115.700 0.343 0.000 2.383 445 S HA -0.196 4.312 4.470 0.063 0.000 0.229 445 S C 1.682 176.393 174.600 0.184 0.000 1.030 445 S CA 1.166 59.504 58.200 0.229 0.000 1.002 445 S CB -0.699 62.515 63.200 0.022 0.000 0.829 445 S HN 0.522 nan 8.310 nan 0.000 0.467 446 E N 1.733 122.011 120.200 0.129 0.000 2.401 446 E HA -0.035 4.353 4.350 0.063 0.000 0.199 446 E C 1.409 178.072 176.600 0.104 0.000 1.023 446 E CA 0.793 57.246 56.400 0.088 0.000 0.859 446 E CB -0.258 29.469 29.700 0.045 0.000 0.780 446 E HN 0.723 nan 8.360 nan 0.000 0.523 447 K N -0.168 120.320 120.400 0.146 0.000 2.404 447 K HA 0.140 4.498 4.320 0.063 0.000 0.194 447 K C 0.850 177.660 176.600 0.351 0.000 1.023 447 K CA -0.175 56.180 56.287 0.113 0.000 1.094 447 K CB 0.364 32.777 32.500 -0.145 0.000 0.841 447 K HN -0.015 nan 8.250 nan 0.000 0.523 448 M N 2.207 122.063 119.600 0.427 0.000 2.063 448 M HA 0.257 4.774 4.480 0.063 0.000 0.348 448 M C -1.285 175.115 176.300 0.167 0.000 1.180 448 M CA -0.124 55.397 55.300 0.367 0.000 1.059 448 M CB 0.762 33.539 32.600 0.296 0.000 1.544 448 M HN 0.054 nan 8.290 nan 0.000 0.447 449 M N 6.027 125.689 119.600 0.102 0.000 2.066 449 M HA 0.242 4.760 4.480 0.063 0.000 0.340 449 M C -0.975 175.278 176.300 -0.077 0.000 1.053 449 M CA -0.173 55.149 55.300 0.036 0.000 0.983 449 M CB 0.812 33.434 32.600 0.038 0.000 1.520 449 M HN 0.859 nan 8.290 nan 0.000 0.428 450 L N 4.238 125.377 121.223 -0.141 0.000 3.284 450 L HA 0.368 4.746 4.340 0.063 0.000 0.294 450 L C -0.382 176.126 176.870 -0.604 0.000 1.183 450 L CA 0.706 55.270 54.840 -0.459 0.000 1.056 450 L CB 0.676 42.249 42.059 -0.809 0.000 1.513 450 L HN 0.700 nan 8.230 nan 0.000 0.601 451 F N 0.080 119.898 119.950 -0.221 0.000 2.647 451 F HA 0.633 5.198 4.527 0.063 0.000 0.300 451 F C 1.466 177.211 175.800 -0.092 0.000 1.106 451 F CA 0.196 58.090 58.000 -0.177 0.000 1.313 451 F CB 0.103 39.006 39.000 -0.163 0.000 1.007 451 F HN 0.086 nan 8.300 nan 0.000 0.536 452 G N 1.233 110.060 108.800 0.044 0.000 2.632 452 G HA2 -0.200 3.798 3.960 0.063 0.000 0.224 452 G HA3 -0.200 3.798 3.960 0.063 0.000 0.224 452 G C -0.758 174.181 174.900 0.064 0.000 1.341 452 G CA -0.187 44.948 45.100 0.058 0.000 0.880 452 G HN 0.241 nan 8.290 nan 0.000 0.566 453 M N -0.618 119.019 119.600 0.061 0.000 2.605 453 M HA 0.565 5.083 4.480 0.063 0.000 0.281 453 M C 0.446 176.786 176.300 0.067 0.000 1.166 453 M CA 1.120 56.448 55.300 0.046 0.000 0.875 453 M CB 1.439 34.044 32.600 0.009 0.000 1.732 453 M HN 3.106 nan 8.290 nan 0.000 0.504 454 G N 2.989 111.830 108.800 0.068 0.000 2.542 454 G HA2 -0.211 3.786 3.960 0.063 0.000 0.235 454 G HA3 -0.211 3.786 3.960 0.063 0.000 0.235 454 G C -0.061 174.927 174.900 0.146 0.000 1.286 454 G CA 0.088 45.246 45.100 0.096 0.000 0.904 454 G HN 0.834 nan 8.290 nan 0.000 0.577 455 K N 0.150 120.664 120.400 0.190 0.000 2.152 455 K HA -0.060 4.298 4.320 0.063 0.000 0.206 455 K C 2.128 178.944 176.600 0.359 0.000 1.048 455 K CA 1.328 57.788 56.287 0.289 0.000 0.933 455 K CB -0.086 32.590 32.500 0.294 0.000 0.721 455 K HN 0.269 nan 8.250 nan 0.000 0.447 456 R N 1.584 122.240 120.500 0.260 0.000 2.359 456 R HA 0.044 4.422 4.340 0.063 0.000 0.231 456 R C 0.374 176.785 176.300 0.186 0.000 0.913 456 R CA -0.060 56.175 56.100 0.224 0.000 1.075 456 R CB -0.160 30.190 30.300 0.083 0.000 1.087 456 R HN 0.338 nan 8.270 nan 0.000 0.515 457 R N -0.032 120.567 120.500 0.165 0.000 2.679 457 R HA 0.056 4.433 4.340 0.063 0.000 0.268 457 R C 0.085 176.445 176.300 0.100 0.000 1.044 457 R CA -0.293 55.880 56.100 0.121 0.000 1.105 457 R CB 0.299 30.653 30.300 0.090 0.000 0.989 457 R HN -0.029 nan 8.270 nan 0.000 0.447 458 C N 5.635 125.002 119.300 0.111 0.000 2.211 458 C HA -0.045 4.452 4.460 0.063 0.000 0.393 458 C C 1.985 177.000 174.990 0.041 0.000 1.531 458 C CA -0.099 58.984 59.018 0.108 0.000 1.465 458 C CB -1.513 26.376 27.740 0.249 0.000 2.534 458 C HN 0.969 nan 8.230 nan 0.000 0.592 459 I N 3.659 124.244 120.570 0.025 0.000 3.578 459 I HA 0.280 4.487 4.170 0.063 0.000 0.295 459 I C 1.558 177.648 176.117 -0.045 0.000 1.280 459 I CA 1.179 62.466 61.300 -0.022 0.000 1.347 459 I CB -0.413 37.570 38.000 -0.028 0.000 1.051 459 I HN 0.680 nan 8.210 nan 0.000 0.460 460 G N 1.010 109.803 108.800 -0.012 0.000 3.502 460 G HA2 0.091 4.088 3.960 0.063 0.000 0.267 460 G HA3 0.091 4.088 3.960 0.063 0.000 0.267 460 G C 1.050 175.918 174.900 -0.053 0.000 1.090 460 G CA -0.096 44.991 45.100 -0.022 0.000 0.795 460 G HN 0.456 nan 8.290 nan 0.000 0.535 461 E N 0.048 120.154 120.200 -0.157 0.000 2.038 461 E HA -0.164 4.224 4.350 0.063 0.000 0.195 461 E C 2.320 178.649 176.600 -0.451 0.000 1.000 461 E CA 1.517 57.629 56.400 -0.480 0.000 0.803 461 E CB -0.007 29.252 29.700 -0.735 0.000 0.750 461 E HN 0.181 nan 8.360 nan 0.000 0.448 462 V N 1.533 121.187 119.914 -0.432 0.000 2.295 462 V HA -0.251 3.907 4.120 0.063 0.000 0.246 462 V C 2.476 178.229 176.094 -0.569 0.000 1.049 462 V CA 1.632 63.577 62.300 -0.592 0.000 1.024 462 V CB -0.706 30.668 31.823 -0.748 0.000 0.648 462 V HN 0.421 nan 8.190 nan 0.000 0.447 463 L N 1.425 122.434 121.223 -0.357 0.000 2.013 463 L HA -0.157 4.220 4.340 0.063 0.000 0.212 463 L C 2.419 179.329 176.870 0.066 0.000 1.073 463 L CA 2.665 57.431 54.840 -0.123 0.000 0.753 463 L CB -1.544 40.484 42.059 -0.051 0.000 0.890 463 L HN 0.236 nan 8.230 nan 0.000 0.432 464 A N -0.339 122.534 122.820 0.087 0.000 1.858 464 A HA -0.248 4.110 4.320 0.063 0.000 0.216 464 A C 2.349 180.136 177.584 0.338 0.000 1.190 464 A CA 2.090 54.276 52.037 0.249 0.000 0.617 464 A CB -0.585 18.634 19.000 0.364 0.000 0.827 464 A HN 0.550 nan 8.150 nan 0.000 0.443 465 K N -1.439 119.121 120.400 0.266 0.000 2.063 465 K HA -0.206 4.151 4.320 0.063 0.000 0.208 465 K C 1.812 178.708 176.600 0.494 0.000 1.048 465 K CA 1.678 58.188 56.287 0.372 0.000 0.928 465 K CB -0.258 32.380 32.500 0.230 0.000 0.713 465 K HN 0.698 nan 8.250 nan 0.000 0.442 466 W N 1.350 122.752 121.300 0.170 0.000 2.381 466 W HA -0.071 4.627 4.660 0.063 0.000 0.301 466 W C 2.082 178.747 176.519 0.244 0.000 1.205 466 W CA 0.583 58.037 57.345 0.182 0.000 1.285 466 W CB -0.833 28.690 29.460 0.104 0.000 1.133 466 W HN 0.257 nan 8.180 nan 0.000 0.521 467 E N 0.309 120.778 120.200 0.449 0.000 2.072 467 E HA -0.174 4.214 4.350 0.063 0.000 0.191 467 E C 2.082 178.932 176.600 0.417 0.000 0.985 467 E CA 1.521 58.139 56.400 0.364 0.000 0.801 467 E CB -0.375 29.538 29.700 0.355 0.000 0.750 467 E HN 0.154 nan 8.360 nan 0.000 0.452 468 I N 0.506 121.327 120.570 0.419 0.000 2.226 468 I HA -0.234 3.973 4.170 0.063 0.000 0.245 468 I C 2.289 178.593 176.117 0.313 0.000 1.100 468 I CA 0.956 62.480 61.300 0.373 0.000 1.374 468 I CB -0.347 37.856 38.000 0.337 0.000 1.057 468 I HN 0.200 nan 8.210 nan 0.000 0.413 469 F N 1.266 121.352 119.950 0.227 0.000 2.065 469 F HA -0.281 4.284 4.527 0.062 0.000 0.298 469 F C 2.316 178.200 175.800 0.140 0.000 1.112 469 F CA 1.752 59.851 58.000 0.166 0.000 1.212 469 F CB -0.184 38.896 39.000 0.133 0.000 0.975 469 F HN -0.099 nan 8.300 nan 0.000 0.476 470 L N -1.076 120.177 121.223 0.050 0.000 2.141 470 L HA -0.204 4.174 4.340 0.063 0.000 0.209 470 L C 2.364 179.152 176.870 -0.137 0.000 1.094 470 L CA 1.117 55.900 54.840 -0.095 0.000 0.763 470 L CB -0.546 41.533 42.059 0.034 0.000 0.908 470 L HN 0.177 nan 8.230 nan 0.000 0.437 471 F N 0.232 120.179 119.950 -0.005 0.000 2.102 471 F HA -0.234 4.331 4.527 0.063 0.000 0.298 471 F C 2.362 178.140 175.800 -0.036 0.000 1.105 471 F CA 1.464 59.467 58.000 0.005 0.000 1.239 471 F CB -0.424 38.599 39.000 0.037 0.000 0.991 471 F HN -0.048 nan 8.300 nan 0.000 0.474 472 L N -1.123 120.189 121.223 0.149 0.000 2.093 472 L HA -0.171 4.206 4.340 0.063 0.000 0.208 472 L C 2.639 179.483 176.870 -0.043 0.000 1.085 472 L CA 1.051 55.926 54.840 0.059 0.000 0.755 472 L CB -1.045 41.065 42.059 0.084 0.000 0.904 472 L HN 0.121 nan 8.230 nan 0.000 0.435 473 A N 0.576 123.253 122.820 -0.238 0.000 1.858 473 A HA -0.184 4.174 4.320 0.063 0.000 0.216 473 A C 2.141 179.680 177.584 -0.075 0.000 1.190 473 A CA 1.381 53.271 52.037 -0.246 0.000 0.617 473 A CB -0.520 18.159 19.000 -0.535 0.000 0.827 473 A HN 0.240 nan 8.150 nan 0.000 0.443 474 I N -0.611 119.922 120.570 -0.062 0.000 2.163 474 I HA -0.227 3.980 4.170 0.063 0.000 0.243 474 I C 2.476 178.628 176.117 0.059 0.000 1.085 474 I CA 1.290 62.588 61.300 -0.003 0.000 1.347 474 I CB -1.505 36.486 38.000 -0.014 0.000 1.044 474 I HN 0.291 nan 8.210 nan 0.000 0.408 475 L N 0.739 122.029 121.223 0.112 0.000 1.943 475 L HA -0.172 4.206 4.340 0.063 0.000 0.215 475 L C 2.436 179.442 176.870 0.225 0.000 1.074 475 L CA 1.861 56.818 54.840 0.194 0.000 0.759 475 L CB -0.707 41.492 42.059 0.233 0.000 0.888 475 L HN 0.115 nan 8.230 nan 0.000 0.433 476 L N -0.849 120.500 121.223 0.210 0.000 2.450 476 L HA -0.197 4.181 4.340 0.063 0.000 0.224 476 L C 2.462 179.489 176.870 0.263 0.000 1.149 476 L CA 0.840 55.831 54.840 0.252 0.000 0.816 476 L CB -0.587 41.563 42.059 0.151 0.000 0.932 476 L HN 0.524 nan 8.230 nan 0.000 0.449 477 Q N -0.220 119.677 119.800 0.160 0.000 2.172 477 Q HA -0.182 4.196 4.340 0.063 0.000 0.200 477 Q C 1.943 177.976 176.000 0.054 0.000 0.964 477 Q CA 1.135 57.023 55.803 0.142 0.000 0.855 477 Q CB 0.294 29.069 28.738 0.061 0.000 0.918 477 Q HN 0.538 nan 8.270 nan 0.000 0.444 478 Q N -0.792 118.995 119.800 -0.022 0.000 2.394 478 Q HA 0.232 4.610 4.340 0.063 0.000 0.218 478 Q C 0.199 176.010 176.000 -0.315 0.000 0.907 478 Q CA 0.361 56.021 55.803 -0.238 0.000 0.919 478 Q CB 0.902 29.566 28.738 -0.124 0.000 1.051 478 Q HN 0.263 nan 8.270 nan 0.000 0.538 479 L N 1.054 122.291 121.223 0.024 0.000 2.362 479 L HA 0.439 4.816 4.340 0.063 0.000 0.271 479 L C -0.253 176.825 176.870 0.347 0.000 1.002 479 L CA -0.657 54.222 54.840 0.065 0.000 0.818 479 L CB 2.481 44.468 42.059 -0.120 0.000 1.298 479 L HN -0.039 nan 8.230 nan 0.000 0.420 480 E N 2.079 122.447 120.200 0.279 0.000 2.158 480 E HA 0.453 4.840 4.350 0.063 0.000 0.271 480 E C -1.645 174.972 176.600 0.029 0.000 0.911 480 E CA -0.608 55.950 56.400 0.262 0.000 0.767 480 E CB 1.174 31.003 29.700 0.214 0.000 1.120 480 E HN 0.300 nan 8.360 nan 0.000 0.405 481 F N 2.322 122.349 119.950 0.129 0.000 2.422 481 F HA 0.442 5.006 4.527 0.063 0.000 0.333 481 F C 0.573 176.407 175.800 0.056 0.000 1.095 481 F CA -0.063 58.008 58.000 0.119 0.000 1.038 481 F CB 1.916 40.996 39.000 0.133 0.000 1.156 481 F HN 0.540 nan 8.300 nan 0.000 0.483 482 S N 0.791 116.591 115.700 0.168 0.000 2.661 482 S HA 0.746 5.254 4.470 0.063 0.000 0.268 482 S C -1.876 172.744 174.600 0.033 0.000 1.162 482 S CA -0.928 57.324 58.200 0.086 0.000 0.817 482 S CB 1.499 64.726 63.200 0.045 0.000 1.141 482 S HN 0.589 nan 8.310 nan 0.000 0.477 483 V N 1.595 121.518 119.914 0.014 0.000 2.735 483 V HA 0.697 4.855 4.120 0.063 0.000 0.310 483 V C -2.680 173.403 176.094 -0.017 0.000 1.061 483 V CA -2.162 60.134 62.300 -0.006 0.000 0.913 483 V CB 1.717 33.542 31.823 0.004 0.000 1.005 483 V HN 0.930 nan 8.190 nan 0.000 0.428 484 P HA 0.210 nan 4.420 nan 0.000 0.267 484 P C -2.705 174.571 177.300 -0.041 0.000 1.201 484 P CA -0.644 62.431 63.100 -0.041 0.000 0.775 484 P CB -0.214 31.448 31.700 -0.064 0.000 0.854 485 P HA 0.048 nan 4.420 nan 0.000 0.266 485 P C 1.057 178.335 177.300 -0.037 0.000 1.195 485 P CA 1.233 64.317 63.100 -0.027 0.000 0.768 485 P CB 0.159 31.846 31.700 -0.021 0.000 0.838 486 G N 1.145 109.926 108.800 -0.032 0.000 2.336 486 G HA2 -0.252 3.745 3.960 0.063 0.000 0.233 486 G HA3 -0.252 3.745 3.960 0.063 0.000 0.233 486 G C 0.131 174.999 174.900 -0.053 0.000 1.053 486 G CA -0.042 45.034 45.100 -0.039 0.000 0.625 486 G HN 0.565 nan 8.290 nan 0.000 0.511 487 V N 3.686 123.558 119.914 -0.069 0.000 2.485 487 V HA 0.323 4.480 4.120 0.063 0.000 0.287 487 V C 0.672 176.741 176.094 -0.041 0.000 1.022 487 V CA -0.056 62.190 62.300 -0.089 0.000 1.067 487 V CB 1.225 32.980 31.823 -0.113 0.000 0.967 487 V HN 0.297 nan 8.190 nan 0.000 0.479 488 K N 4.018 124.400 120.400 -0.031 0.000 2.154 488 K HA 0.550 4.907 4.320 0.063 0.000 0.264 488 K C -0.608 175.997 176.600 0.009 0.000 1.008 488 K CA -0.412 55.872 56.287 -0.005 0.000 0.937 488 K CB 1.824 34.323 32.500 -0.001 0.000 1.002 488 K HN 0.393 nan 8.250 nan 0.000 0.469 489 V N 2.121 122.040 119.914 0.008 0.000 2.443 489 V HA 0.082 4.240 4.120 0.063 0.000 0.293 489 V C -0.527 175.569 176.094 0.003 0.000 1.021 489 V CA -1.040 61.257 62.300 -0.005 0.000 0.848 489 V CB 1.760 33.567 31.823 -0.027 0.000 0.998 489 V HN 0.625 nan 8.190 nan 0.000 0.424 490 D N 4.412 124.814 120.400 0.004 0.000 2.313 490 D HA 0.326 5.004 4.640 0.063 0.000 0.239 490 D C 0.331 176.651 176.300 0.033 0.000 1.142 490 D CA -0.085 53.935 54.000 0.033 0.000 0.847 490 D CB 1.624 42.446 40.800 0.036 0.000 1.082 490 D HN 0.473 nan 8.370 nan 0.000 0.480 491 L N 3.106 124.391 121.223 0.102 0.000 2.818 491 L HA 0.132 4.510 4.340 0.063 0.000 0.243 491 L C 0.528 177.629 176.870 0.385 0.000 1.185 491 L CA -0.069 54.893 54.840 0.203 0.000 0.988 491 L CB 0.354 42.549 42.059 0.227 0.000 1.292 491 L HN 0.264 nan 8.230 nan 0.000 0.519 492 T N 2.448 117.164 114.554 0.270 0.000 2.799 492 T HA 0.193 4.581 4.350 0.063 0.000 0.296 492 T C -2.217 172.696 174.700 0.355 0.000 0.947 492 T CA -0.832 61.432 62.100 0.273 0.000 1.141 492 T CB 0.750 69.719 68.868 0.169 0.000 0.891 492 T HN -0.013 nan 8.240 nan 0.000 0.533 493 P HA 0.321 nan 4.420 nan 0.000 0.275 493 P C -0.498 176.977 177.300 0.291 0.000 1.228 493 P CA -0.474 62.920 63.100 0.491 0.000 0.786 493 P CB 0.487 32.436 31.700 0.414 0.000 0.927 494 I N 2.743 123.452 120.570 0.232 0.000 2.304 494 I HA 0.180 4.387 4.170 0.063 0.000 0.291 494 I C 0.357 176.564 176.117 0.150 0.000 1.018 494 I CA -0.949 60.441 61.300 0.150 0.000 1.260 494 I CB 0.294 38.328 38.000 0.058 0.000 1.390 494 I HN 0.345 nan 8.210 nan 0.000 0.475 495 Y N 6.374 126.718 120.300 0.073 0.000 2.811 495 Y HA 0.380 4.967 4.550 0.061 0.000 0.334 495 Y C 0.643 176.562 175.900 0.031 0.000 1.247 495 Y CA 0.785 58.912 58.100 0.045 0.000 1.526 495 Y CB 0.352 38.862 38.460 0.084 0.000 1.284 495 Y HN 0.667 nan 8.280 nan 0.000 0.586 496 G N 3.942 112.201 108.800 -0.901 0.000 2.322 496 G HA2 0.186 4.184 3.960 0.063 0.000 0.295 496 G HA3 0.186 4.184 3.960 0.063 0.000 0.295 496 G C -0.817 173.769 174.900 -0.524 0.000 1.369 496 G CA -0.438 44.315 45.100 -0.579 0.000 0.821 496 G HN 0.821 nan 8.290 nan 0.000 0.536 497 L N 0.388 121.458 121.223 -0.255 0.000 2.042 497 L HA 0.190 4.567 4.340 0.063 0.000 0.210 497 L C 1.649 178.485 176.870 -0.058 0.000 1.076 497 L CA 3.035 57.808 54.840 -0.111 0.000 0.749 497 L CB -0.766 41.321 42.059 0.046 0.000 0.893 497 L HN 0.977 nan 8.230 nan 0.000 0.432 498 T N -1.702 112.861 114.554 0.015 0.000 2.829 498 T HA 0.536 4.923 4.350 0.063 0.000 0.280 498 T C -0.177 174.594 174.700 0.118 0.000 0.999 498 T CA -0.669 61.523 62.100 0.154 0.000 0.983 498 T CB 1.256 70.297 68.868 0.288 0.000 0.968 498 T HN 0.113 nan 8.240 nan 0.000 0.446 499 M N 3.618 123.344 119.600 0.211 0.000 2.188 499 M HA 0.415 4.933 4.480 0.063 0.000 0.357 499 M C -0.027 176.510 176.300 0.394 0.000 1.204 499 M CA -0.839 54.587 55.300 0.211 0.000 1.095 499 M CB 1.104 33.811 32.600 0.178 0.000 1.604 499 M HN 0.436 nan 8.290 nan 0.000 0.464 500 K N 1.654 122.161 120.400 0.179 0.000 2.139 500 K HA 0.488 4.845 4.320 0.063 0.000 0.243 500 K C -0.516 176.014 176.600 -0.117 0.000 0.983 500 K CA -0.583 55.651 56.287 -0.089 0.000 0.890 500 K CB 0.999 33.312 32.500 -0.312 0.000 1.090 500 K HN 0.679 nan 8.250 nan 0.000 0.445 501 H N -2.038 116.734 119.070 -0.497 0.000 2.567 501 H HA 0.671 5.265 4.556 0.063 0.000 0.345 501 H C -0.323 174.787 175.328 -0.363 0.000 1.169 501 H CA -1.060 54.681 56.048 -0.510 0.000 1.227 501 H CB 0.732 29.847 29.762 -1.079 0.000 1.607 501 H HN 0.610 nan 8.280 nan 0.000 0.534 502 A N 2.271 125.058 122.820 -0.054 0.000 2.520 502 A HA 0.136 4.493 4.320 0.063 0.000 0.235 502 A C 0.287 177.847 177.584 -0.039 0.000 1.065 502 A CA -0.540 51.453 52.037 -0.073 0.000 0.764 502 A CB -0.013 18.971 19.000 -0.026 0.000 1.002 502 A HN 0.642 nan 8.150 nan 0.000 0.502 503 R N 0.294 120.727 120.500 -0.111 0.000 2.449 503 R HA 0.165 4.543 4.340 0.063 0.000 0.296 503 R C -0.338 175.936 176.300 -0.043 0.000 1.047 503 R CA -0.034 56.017 56.100 -0.081 0.000 1.018 503 R CB 0.098 30.331 30.300 -0.111 0.000 0.962 503 R HN 0.657 nan 8.270 nan 0.000 0.428 504 C N 4.196 123.483 119.300 -0.022 0.000 2.316 504 C HA 0.370 4.867 4.460 0.063 0.000 0.324 504 C C 0.356 175.267 174.990 -0.132 0.000 1.226 504 C CA -0.630 58.342 59.018 -0.076 0.000 1.450 504 C CB -0.179 27.530 27.740 -0.051 0.000 2.123 504 C HN 0.788 nan 8.230 nan 0.000 0.454 505 E N 1.806 121.796 120.200 -0.350 0.000 2.419 505 E HA 0.149 4.537 4.350 0.063 0.000 0.190 505 E C 0.265 176.649 176.600 -0.360 0.000 1.040 505 E CA 0.234 56.458 56.400 -0.293 0.000 0.900 505 E CB -0.340 29.234 29.700 -0.211 0.000 1.054 505 E HN 0.900 nan 8.360 nan 0.000 0.462 506 H N -0.772 118.273 119.070 -0.041 0.000 2.594 506 H HA 0.240 4.834 4.556 0.063 0.000 0.279 506 H C 0.021 175.250 175.328 -0.165 0.000 1.042 506 H CA -0.475 55.505 56.048 -0.112 0.000 1.177 506 H CB 0.592 30.274 29.762 -0.132 0.000 1.524 506 H HN -0.057 nan 8.280 nan 0.000 0.537 507 V N 1.780 121.586 119.914 -0.180 0.000 2.963 507 V HA 0.001 4.158 4.120 0.063 0.000 0.306 507 V C 0.348 176.050 176.094 -0.653 0.000 1.077 507 V CA 0.155 62.280 62.300 -0.293 0.000 1.124 507 V CB 1.162 32.895 31.823 -0.151 0.000 0.987 507 V HN 0.447 nan 8.190 nan 0.000 0.487 508 Q N 1.543 121.118 119.800 -0.375 0.000 2.433 508 Q HA 0.815 5.192 4.340 0.063 0.000 0.279 508 Q C -0.873 175.035 176.000 -0.153 0.000 1.105 508 Q CA -0.835 54.784 55.803 -0.306 0.000 0.815 508 Q CB 2.596 31.264 28.738 -0.118 0.000 1.403 508 Q HN 0.883 nan 8.270 nan 0.000 0.435 509 A N 1.788 124.575 122.820 -0.055 0.000 2.422 509 A HA 0.786 5.143 4.320 0.063 0.000 0.302 509 A C -1.239 176.292 177.584 -0.089 0.000 1.041 509 A CA -0.746 51.170 52.037 -0.202 0.000 0.708 509 A CB 1.316 20.131 19.000 -0.309 0.000 1.257 509 A HN 0.787 nan 8.150 nan 0.000 0.414 510 R N 1.856 122.307 120.500 -0.082 0.000 2.651 510 R HA 0.677 5.055 4.340 0.063 0.000 0.278 510 R C -0.691 175.604 176.300 -0.008 0.000 1.010 510 R CA -0.905 55.184 56.100 -0.020 0.000 0.896 510 R CB 1.549 31.863 30.300 0.022 0.000 1.211 510 R HN 0.692 nan 8.270 nan 0.000 0.456 511 R N 0.805 121.263 120.500 -0.070 0.000 2.896 511 R HA 0.340 4.718 4.340 0.063 0.000 0.283 511 R C -0.465 175.773 176.300 -0.103 0.000 1.201 511 R CA 0.029 55.998 56.100 -0.217 0.000 1.178 511 R CB 0.144 30.320 30.300 -0.208 0.000 1.152 511 R HN 0.627 nan 8.270 nan 0.000 0.590 512 F N -2.675 117.269 119.950 -0.010 0.000 2.622 512 F HA 0.282 4.846 4.527 0.062 0.000 0.318 512 F C -0.172 175.627 175.800 -0.002 0.000 1.135 512 F CA -1.451 56.545 58.000 -0.006 0.000 1.015 512 F CB 0.313 39.310 39.000 -0.004 0.000 1.275 512 F HN 0.607 nan 8.300 nan 0.000 0.457 513 S N 0.000 115.812 115.700 0.187 0.000 2.498 513 S HA 0.000 4.508 4.470 0.063 0.000 0.327 513 S CA 0.000 58.272 58.200 0.120 0.000 1.107 513 S CB 0.000 63.254 63.200 0.089 0.000 0.593 513 S HN 0.000 nan 8.310 nan 0.000 0.517