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 1w82_1_A DATA FIRST_RESID 4 DATA SEQUENCE ERPTFYRQEL NKTIWEVPER YQNLSPVGSG AYGSVCAAFD TKTGLRVAVK DATA SEQUENCE KLSRPFQSII HAKRTYRELR LLKHMKHENV IGLLDVFTPA RSLEEFNDVY DATA SEQUENCE LVTHLMGADL NNIVKCQKLT DDHVQFLIYQ ILRGLKYIHS ADIIHRDLKP DATA SEQUENCE SNLAVNEDCE LKILDFGLAR HTDDEMTGYV ATRWYRAPEI MLNWMHYNQT DATA SEQUENCE VDIWSVGCIM AELLTGRTLF PGTDHIDQLK LILRLVGTPG AELLKKISSE DATA SEQUENCE SARNYIQSLT QMPKMNFANV FIGANPLAVD LLEKMLVLDS DKRITAAQAL DATA SEQUENCE AHAYFAQYHD PDDEPVADPY DQSFESRDLL IDEWKSLTYD EVISFVPPPL DATA SEQUENCE DQ 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.625 176.600 0.041 0.000 1.382 4 E CA 0.000 56.415 56.400 0.025 0.000 0.976 4 E CB 0.000 29.715 29.700 0.025 0.000 0.812 5 R N 3.257 123.795 120.500 0.064 0.000 2.347 5 R HA 0.248 4.593 4.340 0.008 0.000 0.304 5 R C -1.997 174.361 176.300 0.097 0.000 1.072 5 R CA -1.053 55.112 56.100 0.108 0.000 0.980 5 R CB 0.680 31.061 30.300 0.136 0.000 0.986 5 R HN 0.044 nan 8.270 nan 0.000 0.448 6 P HA 0.089 nan 4.420 nan 0.000 0.274 6 P C -0.770 176.565 177.300 0.058 0.000 1.237 6 P CA -0.305 62.776 63.100 -0.031 0.000 0.793 6 P CB 0.685 32.255 31.700 -0.216 0.000 0.977 7 T N 1.547 116.108 114.554 0.013 0.000 2.907 7 T HA 0.349 4.704 4.350 0.008 0.000 0.298 7 T C -0.076 174.653 174.700 0.048 0.000 1.017 7 T CA 0.377 62.545 62.100 0.114 0.000 1.118 7 T CB -0.123 68.786 68.868 0.068 0.000 0.948 7 T HN 0.143 nan 8.240 nan 0.000 0.531 8 F N 2.006 121.978 119.950 0.037 0.000 2.507 8 F HA 0.587 5.118 4.527 0.006 0.000 0.327 8 F C -0.135 175.751 175.800 0.143 0.000 1.068 8 F CA -1.160 56.859 58.000 0.031 0.000 0.965 8 F CB 1.336 40.322 39.000 -0.023 0.000 1.192 8 F HN 0.583 nan 8.300 nan 0.000 0.476 9 Y N -0.610 119.779 120.300 0.149 0.000 2.545 9 Y HA 0.830 5.384 4.550 0.007 0.000 0.348 9 Y C -1.051 174.942 175.900 0.156 0.000 1.002 9 Y CA -1.842 56.332 58.100 0.124 0.000 1.039 9 Y CB 1.202 39.702 38.460 0.068 0.000 1.271 9 Y HN 0.511 nan 8.280 nan 0.000 0.467 10 R N 2.294 122.899 120.500 0.175 0.000 2.604 10 R HA 0.555 4.899 4.340 0.008 0.000 0.287 10 R C -1.059 175.337 176.300 0.159 0.000 0.970 10 R CA -0.916 55.253 56.100 0.116 0.000 0.946 10 R CB 1.850 32.230 30.300 0.134 0.000 1.127 10 R HN 0.929 nan 8.270 nan 0.000 0.473 11 Q N 0.395 120.286 119.800 0.152 0.000 2.522 11 Q HA 0.292 4.636 4.340 0.008 0.000 0.285 11 Q C -1.594 174.532 176.000 0.209 0.000 0.982 11 Q CA -1.033 54.874 55.803 0.173 0.000 0.805 11 Q CB 2.012 30.852 28.738 0.171 0.000 1.457 11 Q HN 0.560 nan 8.270 nan 0.000 0.394 12 E N 2.048 122.350 120.200 0.170 0.000 2.133 12 E HA 0.535 4.890 4.350 0.008 0.000 0.274 12 E C -1.506 175.187 176.600 0.154 0.000 0.930 12 E CA -0.580 55.928 56.400 0.179 0.000 0.770 12 E CB 1.071 30.844 29.700 0.122 0.000 1.104 12 E HN 0.558 nan 8.360 nan 0.000 0.403 13 L N 4.829 126.177 121.223 0.207 0.000 2.404 13 L HA 0.372 4.717 4.340 0.008 0.000 0.272 13 L C -0.624 176.336 176.870 0.149 0.000 0.980 13 L CA -1.016 53.890 54.840 0.111 0.000 0.836 13 L CB 1.540 43.569 42.059 -0.048 0.000 1.238 13 L HN 0.661 nan 8.230 nan 0.000 0.408 14 N N 3.044 121.798 118.700 0.089 0.000 2.725 14 N HA -0.218 4.526 4.740 0.008 0.000 0.251 14 N C 0.069 175.632 175.510 0.088 0.000 1.031 14 N CA 0.929 54.025 53.050 0.077 0.000 0.720 14 N CB -0.962 37.567 38.487 0.070 0.000 0.930 14 N HN 0.721 nan 8.380 nan 0.000 0.543 15 K N -2.526 117.925 120.400 0.085 0.000 3.069 15 K HA -0.250 4.075 4.320 0.008 0.000 0.267 15 K C -0.153 176.493 176.600 0.077 0.000 1.082 15 K CA 1.537 57.866 56.287 0.070 0.000 0.782 15 K CB -1.487 31.038 32.500 0.042 0.000 1.230 15 K HN 0.712 nan 8.250 nan 0.000 0.488 16 T N -1.590 113.045 114.554 0.134 0.000 2.886 16 T HA 0.570 4.924 4.350 0.008 0.000 0.292 16 T C -0.158 174.649 174.700 0.178 0.000 1.012 16 T CA -1.159 61.004 62.100 0.105 0.000 0.982 16 T CB 1.269 70.180 68.868 0.071 0.000 1.018 16 T HN 0.058 nan 8.240 nan 0.000 0.451 17 I N 3.502 124.114 120.570 0.071 0.000 2.441 17 I HA 0.312 4.487 4.170 0.008 0.000 0.287 17 I C -0.592 175.564 176.117 0.065 0.000 1.049 17 I CA -0.684 60.691 61.300 0.126 0.000 1.381 17 I CB 0.450 38.497 38.000 0.078 0.000 1.409 17 I HN 0.753 nan 8.210 nan 0.000 0.523 18 W N 5.139 126.519 121.300 0.133 0.000 2.417 18 W HA 0.445 5.109 4.660 0.008 0.000 0.315 18 W C 0.315 176.884 176.519 0.084 0.000 1.045 18 W CA -0.522 56.945 57.345 0.203 0.000 1.221 18 W CB 1.018 30.559 29.460 0.135 0.000 1.309 18 W HN 0.429 nan 8.180 nan 0.000 0.453 19 E N 3.477 123.828 120.200 0.251 0.000 2.186 19 E HA 0.483 4.838 4.350 0.008 0.000 0.255 19 E C -1.173 175.468 176.600 0.068 0.000 0.881 19 E CA -0.548 55.926 56.400 0.123 0.000 0.752 19 E CB 1.063 30.856 29.700 0.154 0.000 1.176 19 E HN 0.355 nan 8.360 nan 0.000 0.421 20 V N 1.374 121.227 119.914 -0.102 0.000 2.914 20 V HA 0.720 4.844 4.120 0.008 0.000 0.314 20 V C -2.772 172.900 176.094 -0.703 0.000 1.084 20 V CA -2.873 59.183 62.300 -0.407 0.000 0.963 20 V CB 1.542 33.246 31.823 -0.197 0.000 1.025 20 V HN 0.489 nan 8.190 nan 0.000 0.432 21 P HA 0.173 nan 4.420 nan 0.000 0.267 21 P C 0.596 177.724 177.300 -0.287 0.000 1.200 21 P CA 0.215 62.743 63.100 -0.953 0.000 0.772 21 P CB 0.421 31.552 31.700 -0.949 0.000 0.855 22 E N 2.211 122.327 120.200 -0.141 0.000 2.209 22 E HA -0.275 4.080 4.350 0.008 0.000 0.196 22 E C 1.889 178.427 176.600 -0.104 0.000 0.993 22 E CA 0.950 57.355 56.400 0.010 0.000 0.819 22 E CB -0.215 29.436 29.700 -0.081 0.000 0.745 22 E HN 0.505 nan 8.360 nan 0.000 0.477 23 R N 0.645 120.963 120.500 -0.304 0.000 2.139 23 R HA -0.161 4.184 4.340 0.008 0.000 0.243 23 R C 0.148 176.155 176.300 -0.488 0.000 1.145 23 R CA 1.054 56.879 56.100 -0.459 0.000 0.976 23 R CB -0.593 29.312 30.300 -0.658 0.000 0.866 23 R HN 0.100 nan 8.270 nan 0.000 0.449 24 Y N 1.981 122.240 120.300 -0.068 0.000 2.350 24 Y HA 0.327 4.881 4.550 0.006 0.000 0.340 24 Y C 0.315 176.293 175.900 0.129 0.000 1.006 24 Y CA -0.631 57.466 58.100 -0.005 0.000 1.166 24 Y CB 0.964 39.416 38.460 -0.013 0.000 1.168 24 Y HN 0.020 nan 8.280 nan 0.000 0.502 25 Q N 1.189 121.146 119.800 0.262 0.000 2.458 25 Q HA 0.325 4.670 4.340 0.008 0.000 0.282 25 Q C -0.297 175.840 176.000 0.228 0.000 1.106 25 Q CA -1.212 54.737 55.803 0.244 0.000 0.814 25 Q CB 1.759 30.613 28.738 0.195 0.000 1.425 25 Q HN 0.781 nan 8.270 nan 0.000 0.437 26 N N -0.097 118.703 118.700 0.166 0.000 2.738 26 N HA -0.222 4.523 4.740 0.008 0.000 0.249 26 N C -0.951 174.601 175.510 0.069 0.000 1.047 26 N CA -0.086 53.027 53.050 0.105 0.000 0.707 26 N CB -1.146 37.397 38.487 0.092 0.000 0.937 26 N HN 0.257 nan 8.380 nan 0.000 0.545 27 L N 1.002 122.253 121.223 0.047 0.000 2.513 27 L HA 0.190 4.535 4.340 0.008 0.000 0.272 27 L C 0.634 177.436 176.870 -0.113 0.000 1.187 27 L CA 0.741 55.534 54.840 -0.078 0.000 0.895 27 L CB 0.775 42.726 42.059 -0.181 0.000 1.147 27 L HN 0.340 nan 8.230 nan 0.000 0.483 28 S N 3.234 118.850 115.700 -0.140 0.000 2.547 28 S HA 0.761 5.236 4.470 0.008 0.000 0.281 28 S C -2.864 171.642 174.600 -0.156 0.000 1.118 28 S CA -1.726 56.402 58.200 -0.119 0.000 0.947 28 S CB 1.915 65.081 63.200 -0.056 0.000 1.053 28 S HN 0.243 nan 8.310 nan 0.000 0.482 29 P HA 0.304 nan 4.420 nan 0.000 0.271 29 P C 0.066 177.327 177.300 -0.066 0.000 1.216 29 P CA -0.481 62.549 63.100 -0.117 0.000 0.776 29 P CB 0.850 32.514 31.700 -0.061 0.000 0.881 30 V N 0.922 120.807 119.914 -0.048 0.000 3.539 30 V HA 0.486 4.611 4.120 0.008 0.000 0.262 30 V C 0.740 176.798 176.094 -0.058 0.000 1.381 30 V CA 0.774 63.049 62.300 -0.042 0.000 1.060 30 V CB 0.361 32.168 31.823 -0.027 0.000 0.842 30 V HN 0.850 nan 8.190 nan 0.000 0.445 31 G N -0.064 108.715 108.800 -0.034 0.000 2.368 31 G HA2 0.552 4.517 3.960 0.008 0.000 0.293 31 G HA3 0.552 4.517 3.960 0.008 0.000 0.293 31 G C -1.083 173.817 174.900 -0.000 0.000 1.467 31 G CA 0.350 45.417 45.100 -0.054 0.000 0.804 31 G HN 0.536 nan 8.290 nan 0.000 0.535 32 S N -1.417 114.274 115.700 -0.015 0.000 2.643 32 S HA 0.992 5.467 4.470 0.008 0.000 0.270 32 S C -0.044 174.545 174.600 -0.019 0.000 1.166 32 S CA 0.333 58.538 58.200 0.008 0.000 0.815 32 S CB 1.649 64.867 63.200 0.031 0.000 1.139 32 S HN 2.582 nan 8.310 nan 0.000 0.472 33 G N -0.586 108.203 108.800 -0.018 0.000 2.490 33 G HA2 0.686 4.651 3.960 0.008 0.000 0.308 33 G HA3 0.686 4.651 3.960 0.008 0.000 0.308 33 G C 0.595 175.452 174.900 -0.070 0.000 1.286 33 G CA 0.053 45.127 45.100 -0.042 0.000 0.825 33 G HN 1.452 nan 8.290 nan 0.000 0.479 34 A N -1.185 121.553 122.820 -0.136 0.000 1.940 34 A HA 0.045 4.370 4.320 0.008 0.000 0.219 34 A C 1.857 179.282 177.584 -0.264 0.000 1.176 34 A CA 2.156 54.044 52.037 -0.249 0.000 0.631 34 A CB -0.595 18.159 19.000 -0.410 0.000 0.814 34 A HN 0.637 nan 8.150 nan 0.000 0.446 35 Y N -1.245 119.012 120.300 -0.071 0.000 2.500 35 Y HA 0.404 4.959 4.550 0.008 0.000 0.270 35 Y C 1.422 177.256 175.900 -0.109 0.000 1.134 35 Y CA 0.215 58.260 58.100 -0.091 0.000 1.293 35 Y CB 0.261 38.632 38.460 -0.148 0.000 1.063 35 Y HN 0.451 nan 8.280 nan 0.000 0.534 36 G N -1.474 107.347 108.800 0.034 0.000 2.340 36 G HA2 0.465 4.430 3.960 0.008 0.000 0.299 36 G HA3 0.465 4.430 3.960 0.008 0.000 0.299 36 G C -1.494 173.406 174.900 0.000 0.000 1.291 36 G CA -0.830 44.249 45.100 -0.034 0.000 0.841 36 G HN -0.145 nan 8.290 nan 0.000 0.500 37 S N -1.385 114.329 115.700 0.022 0.000 2.549 37 S HA 0.761 5.236 4.470 0.008 0.000 0.280 37 S C -0.775 174.018 174.600 0.323 0.000 1.109 37 S CA -0.654 57.649 58.200 0.172 0.000 0.905 37 S CB 2.016 65.379 63.200 0.272 0.000 1.081 37 S HN 0.892 nan 8.310 nan 0.000 0.477 38 V N 1.201 121.284 119.914 0.283 0.000 2.555 38 V HA 0.567 4.692 4.120 0.008 0.000 0.302 38 V C -0.440 175.720 176.094 0.109 0.000 1.038 38 V CA -0.550 61.905 62.300 0.259 0.000 0.887 38 V CB 1.431 33.361 31.823 0.178 0.000 0.991 38 V HN 1.065 nan 8.190 nan 0.000 0.434 39 C N 3.181 122.458 119.300 -0.037 0.000 2.563 39 C HA 0.853 5.318 4.460 0.008 0.000 0.314 39 C C 0.685 175.612 174.990 -0.105 0.000 1.199 39 C CA -0.752 58.110 59.018 -0.260 0.000 1.564 39 C CB 1.361 28.654 27.740 -0.746 0.000 2.173 39 C HN 1.036 nan 8.230 nan 0.000 0.485 40 A N 2.068 124.845 122.820 -0.072 0.000 2.322 40 A HA 0.884 5.208 4.320 0.008 0.000 0.269 40 A C -0.003 177.579 177.584 -0.004 0.000 1.094 40 A CA 0.271 52.304 52.037 -0.006 0.000 0.807 40 A CB 0.454 19.464 19.000 0.016 0.000 1.047 40 A HN 1.646 nan 8.150 nan 0.000 0.487 41 A N 0.248 123.107 122.820 0.065 0.000 2.581 41 A HA 0.658 4.983 4.320 0.008 0.000 0.290 41 A C -1.518 176.206 177.584 0.234 0.000 1.119 41 A CA -0.467 51.648 52.037 0.131 0.000 0.670 41 A CB 0.644 19.720 19.000 0.126 0.000 1.280 41 A HN 1.531 nan 8.150 nan 0.000 0.425 42 F N 1.451 121.463 119.950 0.104 0.000 2.388 42 F HA 0.542 5.073 4.527 0.007 0.000 0.358 42 F C -0.329 175.550 175.800 0.132 0.000 1.122 42 F CA -1.068 56.989 58.000 0.095 0.000 1.056 42 F CB 1.218 40.250 39.000 0.053 0.000 1.155 42 F HN 0.526 nan 8.300 nan 0.000 0.461 43 D N 4.037 124.171 120.400 -0.445 0.000 2.365 43 D HA 0.085 4.729 4.640 0.008 0.000 0.237 43 D C 1.278 176.980 176.300 -0.997 0.000 1.190 43 D CA 0.171 53.878 54.000 -0.488 0.000 0.867 43 D CB 1.155 41.852 40.800 -0.171 0.000 1.050 43 D HN 0.684 nan 8.370 nan 0.000 0.491 44 T N 1.139 115.219 114.554 -0.790 0.000 2.962 44 T HA -0.141 4.214 4.350 0.008 0.000 0.270 44 T C 1.659 176.159 174.700 -0.333 0.000 1.088 44 T CA 0.880 62.653 62.100 -0.545 0.000 1.127 44 T CB 0.070 68.823 68.868 -0.192 0.000 0.883 44 T HN 0.341 nan 8.240 nan 0.000 0.493 45 K N 1.296 121.493 120.400 -0.337 0.000 2.021 45 K HA -0.063 4.262 4.320 0.008 0.000 0.205 45 K C 2.516 179.020 176.600 -0.161 0.000 1.047 45 K CA 1.681 57.837 56.287 -0.220 0.000 0.943 45 K CB -0.224 32.138 32.500 -0.230 0.000 0.725 45 K HN 0.541 nan 8.250 nan 0.000 0.439 46 T N -3.648 110.800 114.554 -0.176 0.000 3.057 46 T HA 0.182 4.537 4.350 0.008 0.000 0.254 46 T C 1.269 175.921 174.700 -0.080 0.000 1.094 46 T CA 0.510 62.551 62.100 -0.097 0.000 1.088 46 T CB 0.382 69.211 68.868 -0.065 0.000 0.934 46 T HN 0.383 nan 8.240 nan 0.000 0.497 47 G N 1.381 110.069 108.800 -0.187 0.000 2.143 47 G HA2 -0.198 3.767 3.960 0.008 0.000 0.248 47 G HA3 -0.198 3.767 3.960 0.008 0.000 0.248 47 G C -0.141 174.821 174.900 0.102 0.000 0.991 47 G CA 0.275 45.349 45.100 -0.043 0.000 0.689 47 G HN 0.645 nan 8.290 nan 0.000 0.522 48 L N 0.212 121.425 121.223 -0.017 0.000 2.325 48 L HA 0.557 4.902 4.340 0.008 0.000 0.279 48 L C 1.172 178.131 176.870 0.147 0.000 1.054 48 L CA -1.137 53.766 54.840 0.106 0.000 0.804 48 L CB 1.023 43.130 42.059 0.080 0.000 1.200 48 L HN 0.024 nan 8.230 nan 0.000 0.436 49 R N 1.993 122.634 120.500 0.236 0.000 2.442 49 R HA 0.381 4.726 4.340 0.008 0.000 0.291 49 R C -0.563 175.829 176.300 0.153 0.000 1.069 49 R CA -0.223 56.014 56.100 0.227 0.000 1.022 49 R CB 1.154 31.570 30.300 0.193 0.000 0.976 49 R HN 0.512 nan 8.270 nan 0.000 0.443 50 V N -1.163 118.828 119.914 0.129 0.000 3.074 50 V HA 0.909 5.034 4.120 0.008 0.000 0.314 50 V C -0.596 175.538 176.094 0.068 0.000 1.117 50 V CA -1.177 61.171 62.300 0.079 0.000 1.014 50 V CB 2.083 33.944 31.823 0.064 0.000 1.057 50 V HN 0.799 nan 8.190 nan 0.000 0.438 51 A N 1.883 124.733 122.820 0.050 0.000 2.342 51 A HA 0.894 5.219 4.320 0.008 0.000 0.323 51 A C -0.821 176.786 177.584 0.037 0.000 1.125 51 A CA -0.687 51.388 52.037 0.063 0.000 0.785 51 A CB 1.740 20.806 19.000 0.109 0.000 1.221 51 A HN 1.492 nan 8.150 nan 0.000 0.463 52 V N 2.481 122.437 119.914 0.070 0.000 2.443 52 V HA 0.378 4.503 4.120 0.008 0.000 0.293 52 V C -0.061 176.196 176.094 0.271 0.000 1.021 52 V CA -0.670 61.703 62.300 0.121 0.000 0.848 52 V CB 1.426 33.347 31.823 0.164 0.000 0.998 52 V HN 0.919 nan 8.190 nan 0.000 0.424 53 K N 4.371 124.862 120.400 0.152 0.000 2.262 53 K HA 0.388 4.713 4.320 0.008 0.000 0.282 53 K C -0.146 176.409 176.600 -0.076 0.000 1.066 53 K CA -0.537 55.819 56.287 0.115 0.000 0.901 53 K CB 0.798 33.318 32.500 0.033 0.000 1.089 53 K HN 0.644 nan 8.250 nan 0.000 0.476 54 K N 6.524 126.766 120.400 -0.262 0.000 2.267 54 K HA 0.179 4.504 4.320 0.008 0.000 0.282 54 K C -0.527 175.742 176.600 -0.551 0.000 1.078 54 K CA -0.492 55.292 56.287 -0.838 0.000 0.903 54 K CB 0.476 32.023 32.500 -1.589 0.000 1.111 54 K HN 0.626 nan 8.250 nan 0.000 0.475 55 L N 2.693 123.617 121.223 -0.499 0.000 2.456 55 L HA 0.041 4.386 4.340 0.008 0.000 0.272 55 L C 0.677 177.342 176.870 -0.342 0.000 1.189 55 L CA -0.105 54.534 54.840 -0.335 0.000 0.846 55 L CB 1.185 43.055 42.059 -0.315 0.000 1.111 55 L HN 0.603 nan 8.230 nan 0.000 0.475 56 S N 4.212 119.791 115.700 -0.202 0.000 2.411 56 S HA 0.262 4.736 4.470 0.008 0.000 0.294 56 S C 0.314 174.818 174.600 -0.161 0.000 1.115 56 S CA -0.557 57.534 58.200 -0.182 0.000 1.071 56 S CB -0.070 63.062 63.200 -0.112 0.000 0.967 56 S HN 0.642 nan 8.310 nan 0.000 0.488 57 R N 3.310 123.677 120.500 -0.221 0.000 3.092 57 R HA -0.103 4.242 4.340 0.008 0.000 0.245 57 R C -2.051 174.086 176.300 -0.272 0.000 0.881 57 R CA 0.526 56.488 56.100 -0.230 0.000 0.614 57 R CB -1.318 28.853 30.300 -0.215 0.000 1.128 57 R HN 0.589 nan 8.270 nan 0.000 0.483 58 P HA -0.157 nan 4.420 nan 0.000 0.222 58 P C 0.282 177.108 177.300 -0.791 0.000 1.147 58 P CA 1.388 64.082 63.100 -0.677 0.000 0.790 58 P CB 0.116 31.163 31.700 -1.089 0.000 0.780 59 F N -0.192 119.711 119.950 -0.079 0.000 2.881 59 F HA 0.276 4.808 4.527 0.008 0.000 0.343 59 F C 1.999 177.760 175.800 -0.064 0.000 1.233 59 F CA -0.711 57.262 58.000 -0.045 0.000 1.262 59 F CB -0.669 38.284 39.000 -0.078 0.000 0.980 59 F HN -0.085 nan 8.300 nan 0.000 0.506 60 Q N 0.162 119.931 119.800 -0.052 0.000 2.187 60 Q HA 0.046 4.390 4.340 0.008 0.000 0.199 60 Q C 0.654 176.618 176.000 -0.061 0.000 0.957 60 Q CA 1.120 56.849 55.803 -0.123 0.000 0.857 60 Q CB 0.130 28.677 28.738 -0.317 0.000 0.929 60 Q HN 0.358 nan 8.270 nan 0.000 0.453 61 S N -1.617 114.084 115.700 0.002 0.000 2.697 61 S HA 0.419 4.894 4.470 0.008 0.000 0.289 61 S C 0.648 175.346 174.600 0.163 0.000 1.149 61 S CA -0.894 57.358 58.200 0.085 0.000 0.850 61 S CB 0.626 63.884 63.200 0.098 0.000 1.151 61 S HN 0.163 nan 8.310 nan 0.000 0.491 62 I N 0.596 121.264 120.570 0.164 0.000 2.179 62 I HA -0.136 4.039 4.170 0.008 0.000 0.242 62 I C 1.997 178.174 176.117 0.099 0.000 1.088 62 I CA 1.308 62.729 61.300 0.202 0.000 1.357 62 I CB -0.503 37.628 38.000 0.218 0.000 1.051 62 I HN 0.583 nan 8.210 nan 0.000 0.409 63 I N 0.170 120.801 120.570 0.100 0.000 2.151 63 I HA -0.343 3.831 4.170 0.008 0.000 0.243 63 I C 2.493 178.612 176.117 0.003 0.000 1.080 63 I CA 1.889 63.216 61.300 0.044 0.000 1.339 63 I CB -0.692 37.361 38.000 0.089 0.000 1.039 63 I HN 0.179 nan 8.210 nan 0.000 0.409 64 H N -0.047 119.021 119.070 -0.004 0.000 2.326 64 H HA -0.027 4.533 4.556 0.008 0.000 0.301 64 H C 2.257 177.532 175.328 -0.089 0.000 1.081 64 H CA 1.563 57.594 56.048 -0.028 0.000 1.334 64 H CB -0.420 29.332 29.762 -0.017 0.000 1.385 64 H HN 0.331 nan 8.280 nan 0.000 0.504 65 A N 0.750 123.648 122.820 0.129 0.000 1.902 65 A HA -0.225 4.100 4.320 0.008 0.000 0.217 65 A C 2.181 179.726 177.584 -0.065 0.000 1.181 65 A CA 1.893 54.060 52.037 0.216 0.000 0.623 65 A CB -0.444 18.831 19.000 0.458 0.000 0.818 65 A HN 0.383 nan 8.150 nan 0.000 0.443 66 K N -0.634 119.475 120.400 -0.485 0.000 2.057 66 K HA -0.121 4.204 4.320 0.008 0.000 0.206 66 K C 2.354 178.738 176.600 -0.361 0.000 1.050 66 K CA 1.183 56.925 56.287 -0.908 0.000 0.935 66 K CB -0.189 31.686 32.500 -1.043 0.000 0.715 66 K HN 0.427 nan 8.250 nan 0.000 0.439 67 R N 0.098 120.445 120.500 -0.254 0.000 2.091 67 R HA -0.120 4.224 4.340 0.008 0.000 0.238 67 R C 1.804 177.987 176.300 -0.194 0.000 1.136 67 R CA 2.102 58.063 56.100 -0.232 0.000 0.959 67 R CB -0.334 29.759 30.300 -0.345 0.000 0.856 67 R HN 0.221 nan 8.270 nan 0.000 0.437 68 T N 0.096 114.556 114.554 -0.156 0.000 2.708 68 T HA -0.198 4.157 4.350 0.008 0.000 0.266 68 T C 1.387 176.093 174.700 0.011 0.000 1.037 68 T CA 1.529 63.561 62.100 -0.114 0.000 1.146 68 T CB -0.523 68.223 68.868 -0.202 0.000 0.865 68 T HN 0.357 nan 8.240 nan 0.000 0.435 69 Y N 2.321 122.589 120.300 -0.054 0.000 2.128 69 Y HA -0.145 4.410 4.550 0.008 0.000 0.284 69 Y C 2.703 178.483 175.900 -0.200 0.000 1.154 69 Y CA 1.509 59.567 58.100 -0.070 0.000 1.149 69 Y CB -0.372 38.057 38.460 -0.052 0.000 0.976 69 Y HN -0.019 nan 8.280 nan 0.000 0.505 70 R N 0.396 120.760 120.500 -0.226 0.000 2.094 70 R HA -0.263 4.082 4.340 0.008 0.000 0.239 70 R C 2.373 178.596 176.300 -0.130 0.000 1.137 70 R CA 2.204 58.228 56.100 -0.127 0.000 0.943 70 R CB -0.529 29.839 30.300 0.113 0.000 0.850 70 R HN 0.567 nan 8.270 nan 0.000 0.433 71 E N -0.032 120.085 120.200 -0.138 0.000 2.058 71 E HA -0.227 4.128 4.350 0.008 0.000 0.194 71 E C 2.015 178.535 176.600 -0.133 0.000 0.997 71 E CA 1.362 57.679 56.400 -0.138 0.000 0.801 71 E CB -0.113 29.489 29.700 -0.163 0.000 0.746 71 E HN 0.268 nan 8.360 nan 0.000 0.450 72 L N 1.237 122.376 121.223 -0.140 0.000 2.046 72 L HA -0.153 4.191 4.340 0.008 0.000 0.208 72 L C 2.235 179.029 176.870 -0.126 0.000 1.077 72 L CA 1.627 56.400 54.840 -0.112 0.000 0.747 72 L CB -0.440 41.588 42.059 -0.051 0.000 0.896 72 L HN 0.035 nan 8.230 nan 0.000 0.432 73 R N -0.678 119.664 120.500 -0.264 0.000 2.083 73 R HA -0.142 4.203 4.340 0.008 0.000 0.237 73 R C 2.187 178.477 176.300 -0.017 0.000 1.137 73 R CA 1.390 57.371 56.100 -0.197 0.000 0.951 73 R CB -1.263 28.752 30.300 -0.474 0.000 0.851 73 R HN 0.309 nan 8.270 nan 0.000 0.434 74 L N 0.482 121.671 121.223 -0.057 0.000 1.994 74 L HA -0.151 4.194 4.340 0.008 0.000 0.208 74 L C 2.319 179.148 176.870 -0.067 0.000 1.071 74 L CA 1.392 56.153 54.840 -0.132 0.000 0.745 74 L CB -0.921 41.072 42.059 -0.109 0.000 0.892 74 L HN 0.079 nan 8.230 nan 0.000 0.431 75 L N -0.662 120.530 121.223 -0.051 0.000 2.046 75 L HA -0.194 4.151 4.340 0.008 0.000 0.208 75 L C 2.432 179.328 176.870 0.044 0.000 1.077 75 L CA 1.593 56.419 54.840 -0.024 0.000 0.747 75 L CB -0.850 41.171 42.059 -0.063 0.000 0.896 75 L HN 0.255 nan 8.230 nan 0.000 0.432 76 K N -1.684 118.760 120.400 0.075 0.000 2.103 76 K HA -0.239 4.085 4.320 0.008 0.000 0.207 76 K C 2.113 178.800 176.600 0.146 0.000 1.048 76 K CA 1.464 57.847 56.287 0.161 0.000 0.930 76 K CB -0.233 32.374 32.500 0.178 0.000 0.716 76 K HN 0.332 nan 8.250 nan 0.000 0.444 77 H N -0.075 119.009 119.070 0.022 0.000 2.395 77 H HA 0.064 4.625 4.556 0.008 0.000 0.299 77 H C 0.043 175.415 175.328 0.075 0.000 1.070 77 H CA 0.658 56.715 56.048 0.015 0.000 1.356 77 H CB 0.159 29.831 29.762 -0.149 0.000 1.401 77 H HN -0.083 nan 8.280 nan 0.000 0.524 78 M N 1.936 121.602 119.600 0.110 0.000 2.513 78 M HA 0.036 4.521 4.480 0.008 0.000 0.341 78 M C -0.548 175.778 176.300 0.042 0.000 1.689 78 M CA 0.909 56.292 55.300 0.138 0.000 1.202 78 M CB 0.059 32.707 32.600 0.080 0.000 1.996 78 M HN 0.068 nan 8.290 nan 0.000 0.458 79 K N 3.118 123.524 120.400 0.010 0.000 2.920 79 K HA 0.274 4.598 4.320 0.008 0.000 0.175 79 K C -1.198 175.259 176.600 -0.239 0.000 1.099 79 K CA -0.431 55.814 56.287 -0.069 0.000 0.939 79 K CB 0.765 33.257 32.500 -0.014 0.000 1.148 79 K HN 0.631 nan 8.250 nan 0.000 0.613 80 H N -0.329 118.458 119.070 -0.471 0.000 2.954 80 H HA 0.148 4.709 4.556 0.008 0.000 0.361 80 H C 0.433 175.567 175.328 -0.324 0.000 1.122 80 H CA -0.410 55.291 56.048 -0.579 0.000 1.217 80 H CB 1.493 30.548 29.762 -1.178 0.000 1.776 80 H HN 0.243 nan 8.280 nan 0.000 0.533 81 E N 2.120 121.931 120.200 -0.648 0.000 2.130 81 E HA -0.193 4.161 4.350 0.008 0.000 0.196 81 E C 0.203 176.647 176.600 -0.260 0.000 0.998 81 E CA 1.500 57.664 56.400 -0.393 0.000 0.806 81 E CB 0.049 29.522 29.700 -0.378 0.000 0.738 81 E HN 0.603 nan 8.360 nan 0.000 0.459 82 N N -0.119 118.465 118.700 -0.193 0.000 2.295 82 N HA 0.071 4.816 4.740 0.008 0.000 0.221 82 N C -1.164 174.347 175.510 0.002 0.000 1.129 82 N CA -0.224 52.800 53.050 -0.043 0.000 0.836 82 N CB 1.021 39.492 38.487 -0.028 0.000 1.040 82 N HN -0.149 nan 8.380 nan 0.000 0.494 83 V N 0.796 120.703 119.914 -0.013 0.000 2.841 83 V HA 0.267 4.392 4.120 0.008 0.000 0.310 83 V C 0.123 176.188 176.094 -0.048 0.000 1.090 83 V CA -1.308 60.969 62.300 -0.039 0.000 0.930 83 V CB 2.552 34.347 31.823 -0.047 0.000 1.014 83 V HN 0.118 nan 8.190 nan 0.000 0.425 84 I N 2.834 123.377 120.570 -0.046 0.000 2.996 84 I HA 0.227 4.402 4.170 0.008 0.000 0.310 84 I C 0.813 176.928 176.117 -0.003 0.000 1.225 84 I CA 1.055 62.335 61.300 -0.033 0.000 1.442 84 I CB 0.219 38.172 38.000 -0.078 0.000 1.334 84 I HN 0.831 nan 8.210 nan 0.000 0.550 85 G N 7.581 116.410 108.800 0.048 0.000 2.400 85 G HA2 0.464 4.429 3.960 0.008 0.000 0.333 85 G HA3 0.464 4.429 3.960 0.008 0.000 0.333 85 G C -0.820 174.115 174.900 0.059 0.000 1.143 85 G CA -0.855 44.286 45.100 0.067 0.000 0.914 85 G HN 0.645 nan 8.290 nan 0.000 0.480 86 L N 2.757 124.025 121.223 0.075 0.000 2.325 86 L HA 0.169 4.514 4.340 0.008 0.000 0.284 86 L C 1.309 178.266 176.870 0.144 0.000 1.089 86 L CA -0.404 54.465 54.840 0.049 0.000 0.836 86 L CB 0.882 42.962 42.059 0.035 0.000 1.184 86 L HN 0.567 nan 8.230 nan 0.000 0.444 87 L N 2.599 123.845 121.223 0.037 0.000 2.109 87 L HA 0.014 4.359 4.340 0.008 0.000 0.207 87 L C 0.265 177.270 176.870 0.226 0.000 1.086 87 L CA 1.024 55.914 54.840 0.083 0.000 0.760 87 L CB -0.058 41.961 42.059 -0.066 0.000 0.910 87 L HN 0.637 nan 8.230 nan 0.000 0.437 88 D N -2.040 118.361 120.400 0.001 0.000 2.706 88 D HA 0.359 5.003 4.640 0.008 0.000 0.225 88 D C -1.616 174.433 176.300 -0.417 0.000 1.241 88 D CA -0.215 53.724 54.000 -0.102 0.000 0.784 88 D CB 2.531 43.488 40.800 0.262 0.000 1.521 88 D HN -0.273 nan 8.370 nan 0.000 0.461 89 V N 3.699 123.257 119.914 -0.593 0.000 2.709 89 V HA 0.933 5.058 4.120 0.008 0.000 0.308 89 V C -1.514 174.578 176.094 -0.004 0.000 1.062 89 V CA -0.429 61.654 62.300 -0.361 0.000 0.901 89 V CB 1.175 32.735 31.823 -0.439 0.000 1.003 89 V HN 0.518 nan 8.190 nan 0.000 0.425 90 F N 2.610 122.608 119.950 0.080 0.000 2.686 90 F HA 0.903 5.434 4.527 0.008 0.000 0.311 90 F C -0.799 175.205 175.800 0.340 0.000 1.128 90 F CA -0.600 57.520 58.000 0.199 0.000 0.946 90 F CB 1.749 40.875 39.000 0.210 0.000 1.336 90 F HN 0.586 nan 8.300 nan 0.000 0.457 91 T N 1.247 116.203 114.554 0.671 0.000 2.933 91 T HA 0.490 4.844 4.350 0.008 0.000 0.305 91 T C -2.446 172.448 174.700 0.323 0.000 1.092 91 T CA -1.719 60.731 62.100 0.585 0.000 1.008 91 T CB 2.003 71.237 68.868 0.610 0.000 1.102 91 T HN 0.578 nan 8.240 nan 0.000 0.469 92 P HA 0.194 nan 4.420 nan 0.000 0.233 92 P C 0.382 177.496 177.300 -0.309 0.000 1.167 92 P CA 0.034 62.717 63.100 -0.694 0.000 0.770 92 P CB -0.167 31.267 31.700 -0.443 0.000 0.837 93 A N 1.018 123.859 122.820 0.035 0.000 2.511 93 A HA 0.085 4.410 4.320 0.008 0.000 0.242 93 A C 1.250 178.888 177.584 0.090 0.000 1.069 93 A CA -0.106 51.997 52.037 0.109 0.000 0.763 93 A CB -0.050 19.131 19.000 0.303 0.000 1.001 93 A HN 0.077 nan 8.150 nan 0.000 0.498 94 R N 0.886 121.416 120.500 0.051 0.000 2.300 94 R HA 0.118 4.462 4.340 0.008 0.000 0.199 94 R C 0.221 176.576 176.300 0.091 0.000 0.920 94 R CA 0.884 57.023 56.100 0.064 0.000 1.046 94 R CB 0.027 30.345 30.300 0.030 0.000 0.984 94 R HN 0.850 nan 8.270 nan 0.000 0.493 95 S N -1.437 114.297 115.700 0.057 0.000 2.656 95 S HA 0.150 4.624 4.470 0.008 0.000 0.273 95 S C 0.253 174.661 174.600 -0.321 0.000 1.168 95 S CA -0.922 57.263 58.200 -0.026 0.000 0.817 95 S CB 1.066 64.245 63.200 -0.035 0.000 1.146 95 S HN -0.023 nan 8.310 nan 0.000 0.475 96 L N 1.302 122.151 121.223 -0.624 0.000 2.083 96 L HA 0.088 4.433 4.340 0.008 0.000 0.209 96 L C 2.162 178.852 176.870 -0.300 0.000 1.083 96 L CA 2.143 56.504 54.840 -0.799 0.000 0.752 96 L CB -1.270 40.439 42.059 -0.582 0.000 0.899 96 L HN 0.875 nan 8.230 nan 0.000 0.433 97 E N 0.191 120.282 120.200 -0.181 0.000 2.077 97 E HA -0.237 4.117 4.350 0.008 0.000 0.193 97 E C 1.625 178.190 176.600 -0.060 0.000 0.989 97 E CA 1.614 57.955 56.400 -0.098 0.000 0.800 97 E CB -0.195 29.464 29.700 -0.067 0.000 0.746 97 E HN 0.794 nan 8.360 nan 0.000 0.452 98 E N -0.026 120.152 120.200 -0.037 0.000 2.419 98 E HA 0.007 4.362 4.350 0.008 0.000 0.190 98 E C -0.403 176.244 176.600 0.079 0.000 1.040 98 E CA -0.429 55.975 56.400 0.008 0.000 0.900 98 E CB -0.092 29.614 29.700 0.010 0.000 1.054 98 E HN 0.080 nan 8.360 nan 0.000 0.462 99 F N 2.832 122.708 119.950 -0.124 0.000 2.405 99 F HA 0.308 4.840 4.527 0.007 0.000 0.358 99 F C 0.071 175.901 175.800 0.050 0.000 1.151 99 F CA -0.992 56.977 58.000 -0.053 0.000 1.161 99 F CB 0.316 39.188 39.000 -0.213 0.000 1.245 99 F HN -0.060 nan 8.300 nan 0.000 0.545 100 N N 3.737 122.365 118.700 -0.121 0.000 2.143 100 N HA 0.083 4.827 4.740 0.008 0.000 0.222 100 N C -1.004 174.416 175.510 -0.149 0.000 1.264 100 N CA 0.006 52.995 53.050 -0.103 0.000 0.897 100 N CB 0.887 39.355 38.487 -0.032 0.000 1.092 100 N HN 0.512 nan 8.380 nan 0.000 0.516 101 D N 0.985 121.308 120.400 -0.128 0.000 2.879 101 D HA 0.379 5.024 4.640 0.008 0.000 0.236 101 D C -0.827 175.499 176.300 0.043 0.000 1.171 101 D CA -0.275 53.665 54.000 -0.101 0.000 0.868 101 D CB 3.579 44.401 40.800 0.038 0.000 1.598 101 D HN -0.309 nan 8.370 nan 0.000 0.497 102 V N 2.404 122.217 119.914 -0.168 0.000 2.577 102 V HA 0.358 4.483 4.120 0.008 0.000 0.303 102 V C -1.322 174.565 176.094 -0.344 0.000 1.042 102 V CA -0.706 61.561 62.300 -0.055 0.000 0.872 102 V CB 1.441 33.236 31.823 -0.046 0.000 0.998 102 V HN 0.430 nan 8.190 nan 0.000 0.423 103 Y N 4.638 124.695 120.300 -0.405 0.000 2.376 103 Y HA 0.744 5.298 4.550 0.007 0.000 0.340 103 Y C -0.199 175.329 175.900 -0.620 0.000 0.965 103 Y CA -0.850 56.863 58.100 -0.645 0.000 1.078 103 Y CB 1.934 39.628 38.460 -1.277 0.000 1.193 103 Y HN 0.427 nan 8.280 nan 0.000 0.452 104 L N 4.196 125.259 121.223 -0.266 0.000 2.356 104 L HA 0.718 5.063 4.340 0.008 0.000 0.277 104 L C -1.086 175.688 176.870 -0.161 0.000 0.996 104 L CA -0.995 53.711 54.840 -0.223 0.000 0.822 104 L CB 1.703 43.658 42.059 -0.173 0.000 1.256 104 L HN 0.316 nan 8.230 nan 0.000 0.413 105 V N 1.773 121.591 119.914 -0.160 0.000 2.459 105 V HA 0.689 4.814 4.120 0.008 0.000 0.295 105 V C 0.003 176.045 176.094 -0.088 0.000 1.029 105 V CA -0.315 61.920 62.300 -0.108 0.000 0.874 105 V CB 1.824 33.596 31.823 -0.085 0.000 0.985 105 V HN 0.833 nan 8.190 nan 0.000 0.438 106 T N 1.758 116.270 114.554 -0.069 0.000 2.812 106 T HA 0.496 4.850 4.350 0.008 0.000 0.294 106 T C -0.731 173.931 174.700 -0.063 0.000 1.159 106 T CA -0.600 61.455 62.100 -0.075 0.000 1.008 106 T CB 1.073 69.921 68.868 -0.033 0.000 1.289 106 T HN 0.794 nan 8.240 nan 0.000 0.514 107 H N 0.875 119.956 119.070 0.018 0.000 3.001 107 H HA 0.300 4.861 4.556 0.008 0.000 0.334 107 H C -0.056 175.291 175.328 0.032 0.000 1.034 107 H CA -0.047 56.019 56.048 0.030 0.000 1.420 107 H CB 0.282 30.053 29.762 0.016 0.000 1.405 107 H HN 0.184 nan 8.280 nan 0.000 0.593 108 L N 3.973 125.299 121.223 0.170 0.000 2.283 108 L HA 0.038 4.383 4.340 0.008 0.000 0.287 108 L C 0.627 177.569 176.870 0.119 0.000 1.073 108 L CA 0.093 55.012 54.840 0.131 0.000 0.822 108 L CB 0.441 42.570 42.059 0.116 0.000 1.186 108 L HN 0.762 nan 8.230 nan 0.000 0.436 109 M N 2.781 122.437 119.600 0.094 0.000 2.287 109 M HA 0.204 4.689 4.480 0.008 0.000 0.266 109 M C 1.485 177.814 176.300 0.049 0.000 1.079 109 M CA 1.215 56.549 55.300 0.056 0.000 1.146 109 M CB -0.691 31.927 32.600 0.031 0.000 1.374 109 M HN 0.872 nan 8.290 nan 0.000 0.435 110 G N -0.440 108.395 108.800 0.058 0.000 2.909 110 G HA2 -0.013 3.951 3.960 0.008 0.000 0.198 110 G HA3 -0.013 3.951 3.960 0.008 0.000 0.198 110 G C 0.063 174.988 174.900 0.041 0.000 1.124 110 G CA 0.024 45.152 45.100 0.046 0.000 0.796 110 G HN 0.793 nan 8.290 nan 0.000 0.489 111 A N 0.143 122.987 122.820 0.039 0.000 2.566 111 A HA 0.727 5.052 4.320 0.008 0.000 0.292 111 A C -0.863 176.746 177.584 0.043 0.000 1.112 111 A CA 0.498 52.555 52.037 0.034 0.000 0.707 111 A CB 1.504 20.514 19.000 0.018 0.000 1.302 111 A HN 0.988 nan 8.150 nan 0.000 0.409 112 D N -0.399 120.027 120.400 0.043 0.000 2.487 112 D HA 0.395 5.040 4.640 0.008 0.000 0.262 112 D C 0.666 176.973 176.300 0.011 0.000 1.130 112 D CA -0.628 53.398 54.000 0.042 0.000 1.038 112 D CB 0.535 41.379 40.800 0.073 0.000 1.142 112 D HN 0.265 nan 8.370 nan 0.000 0.575 113 L N 0.339 121.559 121.223 -0.006 0.000 2.291 113 L HA 0.020 4.364 4.340 0.008 0.000 0.214 113 L C 1.507 178.375 176.870 -0.003 0.000 1.120 113 L CA 1.242 56.071 54.840 -0.018 0.000 0.799 113 L CB -0.974 41.058 42.059 -0.045 0.000 0.925 113 L HN 0.346 nan 8.230 nan 0.000 0.446 114 N N 0.356 119.056 118.700 0.000 0.000 2.069 114 N HA -0.211 4.533 4.740 0.008 0.000 0.191 114 N C 1.494 177.020 175.510 0.027 0.000 1.031 114 N CA 1.861 54.924 53.050 0.023 0.000 0.852 114 N CB -0.482 38.018 38.487 0.022 0.000 1.018 114 N HN 0.564 nan 8.380 nan 0.000 0.423 115 N N 0.643 119.354 118.700 0.018 0.000 2.061 115 N HA -0.118 4.627 4.740 0.008 0.000 0.193 115 N C 1.657 177.177 175.510 0.016 0.000 1.030 115 N CA 0.890 53.950 53.050 0.017 0.000 0.856 115 N CB -0.032 38.464 38.487 0.013 0.000 1.023 115 N HN 0.136 nan 8.380 nan 0.000 0.424 116 I N 1.073 121.649 120.570 0.011 0.000 2.142 116 I HA -0.182 3.993 4.170 0.008 0.000 0.240 116 I C 2.485 178.613 176.117 0.019 0.000 1.078 116 I CA 1.181 62.484 61.300 0.006 0.000 1.343 116 I CB -1.454 36.543 38.000 -0.006 0.000 1.046 116 I HN 0.074 nan 8.210 nan 0.000 0.405 117 V N -0.282 119.649 119.914 0.028 0.000 2.343 117 V HA -0.238 3.887 4.120 0.008 0.000 0.247 117 V C 2.551 178.671 176.094 0.043 0.000 1.051 117 V CA 1.821 64.145 62.300 0.042 0.000 1.036 117 V CB -1.181 30.674 31.823 0.054 0.000 0.654 117 V HN 0.347 nan 8.190 nan 0.000 0.451 118 K N -0.121 120.305 120.400 0.043 0.000 2.002 118 K HA -0.164 4.161 4.320 0.008 0.000 0.209 118 K C 1.900 178.520 176.600 0.034 0.000 1.048 118 K CA 2.372 58.684 56.287 0.042 0.000 0.930 118 K CB -0.275 32.250 32.500 0.042 0.000 0.714 118 K HN 0.611 nan 8.250 nan 0.000 0.438 119 C N 0.654 119.971 119.300 0.028 0.000 2.780 119 C HA 0.170 4.635 4.460 0.008 0.000 0.267 119 C C 0.091 175.094 174.990 0.023 0.000 1.266 119 C CA -0.630 58.402 59.018 0.023 0.000 1.709 119 C CB -0.527 27.224 27.740 0.018 0.000 1.975 119 C HN 0.494 nan 8.230 nan 0.000 0.582 120 Q N 0.140 119.955 119.800 0.025 0.000 2.345 120 Q HA 0.563 4.908 4.340 0.008 0.000 0.275 120 Q C -1.355 174.673 176.000 0.046 0.000 1.063 120 Q CA -0.702 55.118 55.803 0.029 0.000 0.819 120 Q CB 1.946 30.691 28.738 0.012 0.000 1.356 120 Q HN -0.104 nan 8.270 nan 0.000 0.418 121 K N 2.017 122.454 120.400 0.060 0.000 2.218 121 K HA 0.438 4.763 4.320 0.008 0.000 0.276 121 K C -1.321 175.358 176.600 0.133 0.000 1.022 121 K CA -0.205 56.130 56.287 0.080 0.000 0.946 121 K CB 0.636 33.178 32.500 0.069 0.000 1.000 121 K HN 0.684 nan 8.250 nan 0.000 0.468 122 L N 3.718 125.031 121.223 0.151 0.000 2.322 122 L HA 0.423 4.767 4.340 0.008 0.000 0.281 122 L C 0.460 177.441 176.870 0.184 0.000 1.014 122 L CA -0.979 54.011 54.840 0.251 0.000 0.815 122 L CB 1.785 43.961 42.059 0.196 0.000 1.247 122 L HN 0.863 nan 8.230 nan 0.000 0.421 123 T N -2.734 111.905 114.554 0.141 0.000 2.788 123 T HA 0.070 4.425 4.350 0.008 0.000 0.280 123 T C 0.707 175.423 174.700 0.026 0.000 0.984 123 T CA -0.411 61.680 62.100 -0.014 0.000 0.972 123 T CB 1.269 70.017 68.868 -0.201 0.000 1.039 123 T HN 0.649 nan 8.240 nan 0.000 0.530 124 D N -0.109 120.310 120.400 0.030 0.000 2.144 124 D HA -0.115 4.530 4.640 0.008 0.000 0.199 124 D C 1.540 177.888 176.300 0.079 0.000 0.984 124 D CA 1.201 55.261 54.000 0.100 0.000 0.834 124 D CB -0.201 40.666 40.800 0.111 0.000 0.955 124 D HN 0.564 nan 8.370 nan 0.000 0.465 125 D N -0.556 119.840 120.400 -0.008 0.000 2.123 125 D HA -0.179 4.466 4.640 0.008 0.000 0.196 125 D C 1.894 178.282 176.300 0.147 0.000 0.992 125 D CA 0.981 54.999 54.000 0.031 0.000 0.833 125 D CB -0.423 40.336 40.800 -0.069 0.000 0.954 125 D HN 0.471 nan 8.370 nan 0.000 0.455 126 H N 0.363 119.519 119.070 0.142 0.000 2.353 126 H HA -0.031 4.530 4.556 0.008 0.000 0.300 126 H C 2.497 177.917 175.328 0.154 0.000 1.090 126 H CA 0.448 56.591 56.048 0.157 0.000 1.327 126 H CB -0.588 29.244 29.762 0.116 0.000 1.383 126 H HN 0.030 nan 8.280 nan 0.000 0.508 127 V N 1.247 121.320 119.914 0.266 0.000 2.295 127 V HA -0.262 3.863 4.120 0.008 0.000 0.246 127 V C 2.450 178.704 176.094 0.266 0.000 1.049 127 V CA 1.726 64.172 62.300 0.243 0.000 1.024 127 V CB -0.564 31.414 31.823 0.259 0.000 0.648 127 V HN 0.378 nan 8.190 nan 0.000 0.447 128 Q N -1.004 118.903 119.800 0.178 0.000 2.045 128 Q HA -0.262 4.083 4.340 0.008 0.000 0.206 128 Q C 2.182 178.294 176.000 0.186 0.000 0.991 128 Q CA 2.379 58.241 55.803 0.098 0.000 0.851 128 Q CB -0.343 28.387 28.738 -0.015 0.000 0.911 128 Q HN 0.633 nan 8.270 nan 0.000 0.418 129 F N 0.807 120.649 119.950 -0.181 0.000 2.146 129 F HA -0.118 4.414 4.527 0.008 0.000 0.298 129 F C 1.731 177.426 175.800 -0.174 0.000 1.096 129 F CA 1.129 58.824 58.000 -0.509 0.000 1.275 129 F CB -0.206 38.541 39.000 -0.421 0.000 1.008 129 F HN -0.034 nan 8.300 nan 0.000 0.480 130 L N -0.378 120.771 121.223 -0.124 0.000 2.027 130 L HA -0.230 4.115 4.340 0.008 0.000 0.206 130 L C 2.424 179.202 176.870 -0.154 0.000 1.074 130 L CA 0.715 55.437 54.840 -0.196 0.000 0.745 130 L CB -0.685 41.345 42.059 -0.047 0.000 0.898 130 L HN 0.081 nan 8.230 nan 0.000 0.433 131 I N -0.980 119.595 120.570 0.008 0.000 2.315 131 I HA -0.301 3.874 4.170 0.008 0.000 0.248 131 I C 2.500 178.489 176.117 -0.213 0.000 1.117 131 I CA 1.468 62.786 61.300 0.030 0.000 1.404 131 I CB -1.278 36.906 38.000 0.306 0.000 1.071 131 I HN 0.260 nan 8.210 nan 0.000 0.419 132 Y N 2.328 122.369 120.300 -0.432 0.000 2.114 132 Y HA -0.305 4.249 4.550 0.008 0.000 0.282 132 Y C 2.733 178.354 175.900 -0.465 0.000 1.165 132 Y CA 2.037 59.691 58.100 -0.743 0.000 1.148 132 Y CB -0.451 37.731 38.460 -0.464 0.000 0.972 132 Y HN 0.235 nan 8.280 nan 0.000 0.504 133 Q N -0.133 119.362 119.800 -0.508 0.000 2.084 133 Q HA -0.163 4.182 4.340 0.008 0.000 0.202 133 Q C 2.359 178.130 176.000 -0.381 0.000 0.978 133 Q CA 2.006 57.513 55.803 -0.492 0.000 0.844 133 Q CB -0.212 28.230 28.738 -0.493 0.000 0.898 133 Q HN 0.579 nan 8.270 nan 0.000 0.426 134 I N 0.589 120.968 120.570 -0.319 0.000 2.127 134 I HA -0.326 3.849 4.170 0.008 0.000 0.241 134 I C 2.158 178.111 176.117 -0.274 0.000 1.075 134 I CA 1.264 62.415 61.300 -0.247 0.000 1.334 134 I CB -0.279 37.610 38.000 -0.186 0.000 1.040 134 I HN 0.194 nan 8.210 nan 0.000 0.405 135 L N 0.021 121.046 121.223 -0.330 0.000 2.131 135 L HA -0.196 4.149 4.340 0.008 0.000 0.210 135 L C 2.744 179.406 176.870 -0.346 0.000 1.092 135 L CA 1.157 55.807 54.840 -0.317 0.000 0.759 135 L CB -0.528 41.321 42.059 -0.349 0.000 0.903 135 L HN 0.206 nan 8.230 nan 0.000 0.435 136 R N 0.162 120.380 120.500 -0.469 0.000 2.073 136 R HA -0.131 4.213 4.340 0.008 0.000 0.234 136 R C 2.283 178.447 176.300 -0.227 0.000 1.134 136 R CA 1.481 57.366 56.100 -0.359 0.000 0.952 136 R CB -0.456 29.552 30.300 -0.487 0.000 0.850 136 R HN 0.373 nan 8.270 nan 0.000 0.433 137 G N 0.742 109.410 108.800 -0.220 0.000 2.408 137 G HA2 -0.214 3.751 3.960 0.008 0.000 0.217 137 G HA3 -0.214 3.751 3.960 0.008 0.000 0.217 137 G C 1.218 175.946 174.900 -0.285 0.000 1.150 137 G CA 0.243 45.166 45.100 -0.296 0.000 0.776 137 G HN 0.177 nan 8.290 nan 0.000 0.542 138 L N 0.801 121.849 121.223 -0.291 0.000 2.056 138 L HA 0.079 4.424 4.340 0.008 0.000 0.207 138 L C 2.669 179.267 176.870 -0.454 0.000 1.078 138 L CA 1.707 56.287 54.840 -0.434 0.000 0.749 138 L CB -0.713 41.081 42.059 -0.442 0.000 0.901 138 L HN 0.234 nan 8.230 nan 0.000 0.433 139 K N -1.463 118.782 120.400 -0.259 0.000 2.034 139 K HA -0.306 4.019 4.320 0.008 0.000 0.214 139 K C 2.336 178.885 176.600 -0.086 0.000 1.051 139 K CA 2.207 58.422 56.287 -0.119 0.000 0.931 139 K CB -0.489 31.971 32.500 -0.067 0.000 0.715 139 K HN 0.295 nan 8.250 nan 0.000 0.446 140 Y N 1.281 121.402 120.300 -0.299 0.000 2.097 140 Y HA -0.235 4.319 4.550 0.008 0.000 0.282 140 Y C 1.958 177.759 175.900 -0.165 0.000 1.152 140 Y CA 1.954 59.881 58.100 -0.289 0.000 1.136 140 Y CB -0.235 37.826 38.460 -0.665 0.000 0.975 140 Y HN 0.050 nan 8.280 nan 0.000 0.498 141 I N -0.294 120.256 120.570 -0.033 0.000 2.127 141 I HA -0.423 3.752 4.170 0.008 0.000 0.241 141 I C 2.318 178.454 176.117 0.032 0.000 1.075 141 I CA 2.163 63.452 61.300 -0.018 0.000 1.334 141 I CB -0.678 37.318 38.000 -0.007 0.000 1.040 141 I HN 0.353 nan 8.210 nan 0.000 0.405 142 H N -0.239 118.811 119.070 -0.032 0.000 2.421 142 H HA -0.126 4.434 4.556 0.008 0.000 0.298 142 H C 2.501 177.808 175.328 -0.034 0.000 1.087 142 H CA 1.093 57.134 56.048 -0.013 0.000 1.330 142 H CB -0.010 29.757 29.762 0.009 0.000 1.388 142 H HN 0.417 nan 8.280 nan 0.000 0.526 143 S N 0.809 116.536 115.700 0.045 0.000 2.419 143 S HA -0.094 4.381 4.470 0.008 0.000 0.233 143 S C 2.084 176.664 174.600 -0.034 0.000 1.016 143 S CA 0.718 58.908 58.200 -0.016 0.000 0.974 143 S CB -0.081 63.075 63.200 -0.073 0.000 0.786 143 S HN 0.414 nan 8.310 nan 0.000 0.492 144 A N 1.002 123.784 122.820 -0.063 0.000 2.278 144 A HA 0.247 4.571 4.320 0.008 0.000 0.212 144 A C 0.424 178.055 177.584 0.077 0.000 1.213 144 A CA 0.272 52.307 52.037 -0.004 0.000 0.840 144 A CB -0.497 18.452 19.000 -0.085 0.000 0.866 144 A HN 0.389 nan 8.150 nan 0.000 0.489 145 D N -0.819 119.615 120.400 0.057 0.000 2.708 145 D HA -0.160 4.484 4.640 0.008 0.000 0.236 145 D C -0.358 175.994 176.300 0.087 0.000 1.146 145 D CA 1.077 55.109 54.000 0.054 0.000 0.662 145 D CB -1.379 39.435 40.800 0.023 0.000 1.059 145 D HN 0.570 nan 8.370 nan 0.000 0.428 146 I N 0.730 121.366 120.570 0.109 0.000 2.354 146 I HA 0.339 4.513 4.170 0.008 0.000 0.292 146 I C 0.809 177.028 176.117 0.171 0.000 0.989 146 I CA -0.745 60.626 61.300 0.118 0.000 1.188 146 I CB 1.389 39.419 38.000 0.051 0.000 1.342 146 I HN -0.142 nan 8.210 nan 0.000 0.457 147 I N 5.306 125.969 120.570 0.155 0.000 2.354 147 I HA 0.193 4.368 4.170 0.008 0.000 0.292 147 I C 1.175 177.403 176.117 0.186 0.000 0.989 147 I CA -0.539 60.881 61.300 0.200 0.000 1.188 147 I CB 1.448 39.586 38.000 0.230 0.000 1.342 147 I HN 0.668 nan 8.210 nan 0.000 0.457 148 H N 6.254 125.404 119.070 0.134 0.000 2.276 148 H HA -0.018 4.543 4.556 0.008 0.000 0.301 148 H C 1.620 176.968 175.328 0.034 0.000 1.073 148 H CA 2.152 58.241 56.048 0.069 0.000 1.311 148 H CB 0.395 30.190 29.762 0.055 0.000 1.379 148 H HN 0.695 nan 8.280 nan 0.000 0.494 149 R N -0.876 119.766 120.500 0.236 0.000 3.590 149 R HA -0.182 4.162 4.340 0.008 0.000 0.463 149 R C -0.509 175.836 176.300 0.075 0.000 0.657 149 R CA 1.449 57.577 56.100 0.045 0.000 1.512 149 R CB -1.316 28.945 30.300 -0.066 0.000 2.154 149 R HN 0.400 nan 8.270 nan 0.000 0.409 150 D N 0.253 120.821 120.400 0.281 0.000 2.908 150 D HA 0.265 4.909 4.640 0.008 0.000 0.361 150 D C -0.677 175.659 176.300 0.061 0.000 1.416 150 D CA -0.214 53.889 54.000 0.172 0.000 0.796 150 D CB 0.376 41.306 40.800 0.216 0.000 1.185 150 D HN 0.160 nan 8.370 nan 0.000 0.451 151 L N 1.992 123.108 121.223 -0.179 0.000 2.462 151 L HA 0.216 4.560 4.340 0.008 0.000 0.272 151 L C 0.294 177.030 176.870 -0.223 0.000 1.166 151 L CA 0.640 55.239 54.840 -0.401 0.000 0.880 151 L CB 0.205 42.073 42.059 -0.320 0.000 1.142 151 L HN 0.175 nan 8.230 nan 0.000 0.473 152 K N 2.515 122.729 120.400 -0.310 0.000 2.625 152 K HA 0.374 4.699 4.320 0.008 0.000 0.284 152 K C -2.802 173.546 176.600 -0.419 0.000 0.984 152 K CA -1.464 54.493 56.287 -0.549 0.000 0.865 152 K CB 1.171 33.393 32.500 -0.463 0.000 1.468 152 K HN -0.068 nan 8.250 nan 0.000 0.407 153 P HA -0.262 nan 4.420 nan 0.000 0.216 153 P C 1.213 178.449 177.300 -0.108 0.000 1.150 153 P CA 2.074 65.032 63.100 -0.236 0.000 0.843 153 P CB 0.089 31.677 31.700 -0.187 0.000 0.787 154 S N -2.084 113.565 115.700 -0.085 0.000 2.481 154 S HA -0.048 4.427 4.470 0.008 0.000 0.231 154 S C 1.502 176.197 174.600 0.158 0.000 0.996 154 S CA 0.812 59.027 58.200 0.025 0.000 0.942 154 S CB -0.965 62.236 63.200 0.002 0.000 0.768 154 S HN 0.064 nan 8.310 nan 0.000 0.520 155 N N 1.206 119.954 118.700 0.080 0.000 2.313 155 N HA 0.363 5.107 4.740 0.008 0.000 0.207 155 N C -0.936 174.568 175.510 -0.010 0.000 1.141 155 N CA 0.140 53.245 53.050 0.092 0.000 0.830 155 N CB 0.173 38.718 38.487 0.096 0.000 1.008 155 N HN 0.477 nan 8.380 nan 0.000 0.481 156 L N 0.531 121.742 121.223 -0.020 0.000 2.372 156 L HA 0.606 4.951 4.340 0.008 0.000 0.274 156 L C -0.327 176.530 176.870 -0.021 0.000 0.988 156 L CA -0.814 53.992 54.840 -0.057 0.000 0.833 156 L CB 1.850 43.852 42.059 -0.095 0.000 1.236 156 L HN -0.131 nan 8.230 nan 0.000 0.410 157 A N 3.770 126.572 122.820 -0.030 0.000 2.312 157 A HA 0.880 5.205 4.320 0.008 0.000 0.326 157 A C -0.655 176.910 177.584 -0.032 0.000 1.172 157 A CA -0.487 51.548 52.037 -0.003 0.000 0.821 157 A CB 1.396 20.395 19.000 -0.002 0.000 1.166 157 A HN 0.406 nan 8.150 nan 0.000 0.493 158 V N 3.604 123.509 119.914 -0.016 0.000 2.623 158 V HA 0.301 4.426 4.120 0.008 0.000 0.304 158 V C -0.370 175.717 176.094 -0.010 0.000 1.054 158 V CA -0.993 61.290 62.300 -0.030 0.000 0.882 158 V CB 1.679 33.482 31.823 -0.033 0.000 1.002 158 V HN 1.116 nan 8.190 nan 0.000 0.424 159 N N 3.097 121.790 118.700 -0.012 0.000 2.418 159 N HA 0.242 4.986 4.740 0.008 0.000 0.283 159 N C 0.565 176.079 175.510 0.008 0.000 1.267 159 N CA -0.520 52.531 53.050 0.002 0.000 0.975 159 N CB 0.695 39.181 38.487 -0.002 0.000 1.167 159 N HN 0.514 nan 8.380 nan 0.000 0.581 160 E N -1.300 118.907 120.200 0.012 0.000 2.347 160 E HA -0.018 4.337 4.350 0.008 0.000 0.196 160 E C -0.134 176.475 176.600 0.015 0.000 1.008 160 E CA 0.795 57.201 56.400 0.009 0.000 0.852 160 E CB -0.100 29.607 29.700 0.011 0.000 0.783 160 E HN 0.512 nan 8.360 nan 0.000 0.505 161 D N -0.689 119.731 120.400 0.034 0.000 2.336 161 D HA 0.051 4.696 4.640 0.008 0.000 0.228 161 D C -0.047 176.336 176.300 0.138 0.000 1.120 161 D CA 0.064 54.101 54.000 0.061 0.000 0.839 161 D CB 0.054 40.892 40.800 0.062 0.000 0.932 161 D HN 0.083 nan 8.370 nan 0.000 0.509 162 C N 1.484 120.844 119.300 0.100 0.000 4.331 162 C HA -0.183 4.282 4.460 0.008 0.000 0.293 162 C C 0.583 175.652 174.990 0.132 0.000 1.436 162 C CA 0.096 59.191 59.018 0.127 0.000 1.993 162 C CB -2.344 25.490 27.740 0.156 0.000 1.266 162 C HN 0.379 nan 8.230 nan 0.000 0.795 163 E N -0.267 119.989 120.200 0.093 0.000 2.313 163 E HA 0.515 4.870 4.350 0.008 0.000 0.276 163 E C -0.059 176.473 176.600 -0.114 0.000 1.031 163 E CA -0.093 56.291 56.400 -0.027 0.000 0.857 163 E CB 1.033 30.746 29.700 0.022 0.000 1.040 163 E HN 0.573 nan 8.360 nan 0.000 0.408 164 L N 2.585 123.689 121.223 -0.198 0.000 2.362 164 L HA 0.502 4.846 4.340 0.008 0.000 0.271 164 L C -1.225 175.553 176.870 -0.153 0.000 1.002 164 L CA -0.584 54.151 54.840 -0.176 0.000 0.818 164 L CB 1.166 43.088 42.059 -0.229 0.000 1.298 164 L HN 0.381 nan 8.230 nan 0.000 0.420 165 K N 5.279 125.609 120.400 -0.118 0.000 2.427 165 K HA 0.528 4.853 4.320 0.008 0.000 0.252 165 K C -1.272 175.273 176.600 -0.092 0.000 0.931 165 K CA -0.619 55.607 56.287 -0.102 0.000 0.793 165 K CB 2.428 34.875 32.500 -0.089 0.000 1.211 165 K HN 0.517 nan 8.250 nan 0.000 0.426 166 I N 5.191 125.713 120.570 -0.080 0.000 2.395 166 I HA 0.301 4.476 4.170 0.008 0.000 0.289 166 I C 0.009 176.108 176.117 -0.030 0.000 1.023 166 I CA -0.422 60.846 61.300 -0.054 0.000 1.350 166 I CB 0.427 38.405 38.000 -0.037 0.000 1.409 166 I HN 0.465 nan 8.210 nan 0.000 0.507 167 L N 2.963 124.179 121.223 -0.013 0.000 2.503 167 L HA 0.800 5.145 4.340 0.008 0.000 0.248 167 L C -1.485 175.397 176.870 0.019 0.000 1.126 167 L CA -0.868 53.922 54.840 -0.083 0.000 0.929 167 L CB 2.017 43.910 42.059 -0.277 0.000 1.544 167 L HN 0.283 nan 8.230 nan 0.000 0.404 168 D N -0.864 119.457 120.400 -0.131 0.000 2.323 168 D HA 0.341 4.986 4.640 0.008 0.000 0.242 168 D C 0.147 176.390 176.300 -0.095 0.000 1.347 168 D CA -0.413 53.548 54.000 -0.065 0.000 0.988 168 D CB 0.976 41.655 40.800 -0.202 0.000 1.314 168 D HN 0.509 nan 8.370 nan 0.000 0.564 169 F N 2.305 122.254 119.950 -0.002 0.000 2.115 169 F HA -0.017 4.514 4.527 0.008 0.000 0.300 169 F C 2.365 178.134 175.800 -0.051 0.000 1.092 169 F CA 2.056 60.044 58.000 -0.020 0.000 1.245 169 F CB -0.241 38.757 39.000 -0.003 0.000 0.995 169 F HN 0.672 nan 8.300 nan 0.000 0.481 170 G N -0.010 108.861 108.800 0.118 0.000 2.198 170 G HA2 -0.300 3.665 3.960 0.008 0.000 0.260 170 G HA3 -0.300 3.665 3.960 0.008 0.000 0.260 170 G C 0.883 175.787 174.900 0.007 0.000 1.025 170 G CA 0.505 45.585 45.100 -0.032 0.000 0.769 170 G HN 0.438 nan 8.290 nan 0.000 0.507 171 L N -0.857 120.414 121.223 0.080 0.000 2.307 171 L HA 0.403 4.747 4.340 0.008 0.000 0.211 171 L C 1.944 178.877 176.870 0.105 0.000 1.099 171 L CA 0.946 55.849 54.840 0.105 0.000 0.816 171 L CB -0.233 41.858 42.059 0.053 0.000 0.952 171 L HN 0.510 nan 8.230 nan 0.000 0.455 172 A N -0.288 122.540 122.820 0.013 0.000 2.282 172 A HA 0.406 4.731 4.320 0.008 0.000 0.319 172 A C 0.938 178.466 177.584 -0.094 0.000 1.121 172 A CA -0.527 51.463 52.037 -0.079 0.000 0.836 172 A CB 0.704 19.640 19.000 -0.106 0.000 1.146 172 A HN 0.106 nan 8.150 nan 0.000 0.494 173 R N -0.141 120.296 120.500 -0.106 0.000 2.193 173 R HA -0.016 4.329 4.340 0.008 0.000 0.213 173 R C -0.490 175.809 176.300 -0.002 0.000 1.055 173 R CA 0.491 56.583 56.100 -0.014 0.000 0.995 173 R CB -0.168 30.071 30.300 -0.101 0.000 0.893 173 R HN 0.847 nan 8.270 nan 0.000 0.459 174 H N 0.839 119.937 119.070 0.048 0.000 2.677 174 H HA -0.117 4.444 4.556 0.008 0.000 0.321 174 H C 0.233 175.572 175.328 0.017 0.000 1.171 174 H CA 0.901 56.962 56.048 0.022 0.000 1.139 174 H CB -2.282 27.491 29.762 0.018 0.000 1.515 174 H HN 0.354 nan 8.280 nan 0.000 0.423 175 T N -3.338 111.282 114.554 0.109 0.000 2.732 175 T HA 0.114 4.469 4.350 0.008 0.000 0.287 175 T C 1.534 176.272 174.700 0.063 0.000 0.993 175 T CA -0.275 61.862 62.100 0.063 0.000 0.966 175 T CB 1.471 70.354 68.868 0.026 0.000 1.047 175 T HN 0.050 nan 8.240 nan 0.000 0.527 176 D N 0.115 120.540 120.400 0.042 0.000 2.123 176 D HA -0.112 4.532 4.640 0.008 0.000 0.196 176 D C 1.716 178.046 176.300 0.050 0.000 0.992 176 D CA 1.595 55.619 54.000 0.040 0.000 0.833 176 D CB -0.462 40.341 40.800 0.005 0.000 0.954 176 D HN 0.809 nan 8.370 nan 0.000 0.455 177 D N 0.494 120.913 120.400 0.032 0.000 2.117 177 D HA -0.125 4.520 4.640 0.008 0.000 0.198 177 D C 1.736 178.054 176.300 0.029 0.000 0.982 177 D CA 0.929 54.946 54.000 0.028 0.000 0.828 177 D CB 0.126 40.934 40.800 0.013 0.000 0.967 177 D HN 0.152 nan 8.370 nan 0.000 0.464 178 E N -0.971 119.248 120.200 0.032 0.000 2.265 178 E HA -0.098 4.257 4.350 0.008 0.000 0.196 178 E C 1.311 177.915 176.600 0.007 0.000 0.996 178 E CA 0.582 56.999 56.400 0.029 0.000 0.832 178 E CB 0.088 29.828 29.700 0.067 0.000 0.756 178 E HN 0.385 nan 8.360 nan 0.000 0.491 179 M N 0.431 120.048 119.600 0.027 0.000 2.494 179 M HA 0.092 4.576 4.480 0.008 0.000 0.232 179 M C 0.096 176.423 176.300 0.046 0.000 1.137 179 M CA 0.558 55.856 55.300 -0.003 0.000 1.012 179 M CB 0.298 32.926 32.600 0.046 0.000 1.567 179 M HN -0.182 nan 8.290 nan 0.000 0.486 180 T N 0.747 115.345 114.554 0.072 0.000 2.824 180 T HA 0.650 5.005 4.350 0.008 0.000 0.280 180 T C 0.585 175.330 174.700 0.074 0.000 0.995 180 T CA 0.303 62.477 62.100 0.122 0.000 1.009 180 T CB 1.942 70.870 68.868 0.099 0.000 0.955 180 T HN 0.623 nan 8.240 nan 0.000 0.452 181 G N 1.736 110.605 108.800 0.115 0.000 2.587 181 G HA2 -0.214 3.751 3.960 0.008 0.000 0.212 181 G HA3 -0.214 3.751 3.960 0.008 0.000 0.212 181 G C -0.807 174.213 174.900 0.201 0.000 1.327 181 G CA -0.669 44.519 45.100 0.146 0.000 0.898 181 G HN 0.760 nan 8.290 nan 0.000 0.551 182 Y N 1.569 121.949 120.300 0.133 0.000 2.570 182 Y HA 0.460 5.014 4.550 0.008 0.000 0.336 182 Y C 0.910 176.890 175.900 0.134 0.000 1.284 182 Y CA 0.130 58.397 58.100 0.277 0.000 1.761 182 Y CB -0.228 38.387 38.460 0.258 0.000 1.724 182 Y HN 1.083 nan 8.280 nan 0.000 0.455 183 V N 1.209 120.907 119.914 -0.361 0.000 2.638 183 V HA 0.727 4.852 4.120 0.008 0.000 0.306 183 V C 0.600 175.682 176.094 -1.686 0.000 1.052 183 V CA -0.354 61.476 62.300 -0.782 0.000 0.885 183 V CB 1.093 32.696 31.823 -0.366 0.000 0.999 183 V HN 0.505 nan 8.190 nan 0.000 0.424 184 A N 2.915 124.718 122.820 -1.694 0.000 2.125 184 A HA -0.061 4.264 4.320 0.008 0.000 0.219 184 A C 2.066 179.386 177.584 -0.439 0.000 1.156 184 A CA 2.232 53.538 52.037 -1.218 0.000 0.671 184 A CB -0.870 17.806 19.000 -0.540 0.000 0.794 184 A HN 1.530 nan 8.150 nan 0.000 0.459 185 T N -3.065 111.252 114.554 -0.396 0.000 2.929 185 T HA -0.099 4.256 4.350 0.008 0.000 0.271 185 T C 1.750 176.324 174.700 -0.210 0.000 1.085 185 T CA 1.414 63.385 62.100 -0.214 0.000 1.125 185 T CB -0.143 68.626 68.868 -0.164 0.000 0.874 185 T HN 0.523 nan 8.240 nan 0.000 0.494 186 R N -1.479 118.854 120.500 -0.277 0.000 2.344 186 R HA 0.164 4.509 4.340 0.008 0.000 0.209 186 R C 1.310 177.600 176.300 -0.018 0.000 0.886 186 R CA -0.179 55.807 56.100 -0.190 0.000 1.040 186 R CB 0.191 30.324 30.300 -0.278 0.000 1.114 186 R HN 0.363 nan 8.270 nan 0.000 0.547 187 W N 0.119 121.338 121.300 -0.134 0.000 2.468 187 W HA -0.085 4.580 4.660 0.008 0.000 0.262 187 W C 0.592 176.875 176.519 -0.393 0.000 1.241 187 W CA 0.578 57.740 57.345 -0.304 0.000 1.232 187 W CB -0.466 28.677 29.460 -0.529 0.000 1.124 187 W HN 0.152 nan 8.180 nan 0.000 0.597 188 Y N -0.370 120.082 120.300 0.254 0.000 2.507 188 Y HA 0.248 4.802 4.550 0.008 0.000 0.254 188 Y C 1.136 177.184 175.900 0.246 0.000 1.171 188 Y CA -0.421 57.818 58.100 0.232 0.000 1.238 188 Y CB -0.240 38.293 38.460 0.122 0.000 1.148 188 Y HN -0.426 nan 8.280 nan 0.000 0.525 189 R N 1.430 122.074 120.500 0.241 0.000 2.357 189 R HA 0.515 4.860 4.340 0.008 0.000 0.296 189 R C 0.266 176.560 176.300 -0.012 0.000 1.052 189 R CA -0.336 55.809 56.100 0.076 0.000 0.988 189 R CB 0.822 31.073 30.300 -0.081 0.000 1.025 189 R HN 0.167 nan 8.270 nan 0.000 0.469 190 A N 4.865 127.578 122.820 -0.179 0.000 2.498 190 A HA 0.194 4.519 4.320 0.008 0.000 0.239 190 A C -1.325 175.808 177.584 -0.752 0.000 1.068 190 A CA -0.970 50.621 52.037 -0.743 0.000 0.766 190 A CB 0.027 18.755 19.000 -0.453 0.000 1.003 190 A HN 0.437 nan 8.150 nan 0.000 0.497 191 P HA -0.157 nan 4.420 nan 0.000 0.221 191 P C 1.267 177.793 177.300 -1.290 0.000 1.150 191 P CA 1.363 63.844 63.100 -1.032 0.000 0.800 191 P CB 0.082 31.117 31.700 -1.108 0.000 0.787 192 E N 0.628 120.222 120.200 -1.010 0.000 2.110 192 E HA -0.152 4.203 4.350 0.008 0.000 0.193 192 E C 1.912 178.283 176.600 -0.381 0.000 0.988 192 E CA 1.208 57.240 56.400 -0.614 0.000 0.804 192 E CB -1.181 28.461 29.700 -0.097 0.000 0.745 192 E HN 0.282 nan 8.360 nan 0.000 0.458 193 I N 0.724 121.081 120.570 -0.354 0.000 2.233 193 I HA -0.173 4.002 4.170 0.008 0.000 0.243 193 I C 2.987 178.949 176.117 -0.259 0.000 1.093 193 I CA 1.074 62.208 61.300 -0.277 0.000 1.380 193 I CB -0.347 37.461 38.000 -0.320 0.000 1.067 193 I HN 0.073 nan 8.210 nan 0.000 0.413 194 M N 0.519 119.927 119.600 -0.319 0.000 2.106 194 M HA -0.228 4.257 4.480 0.008 0.000 0.259 194 M C 1.346 177.571 176.300 -0.125 0.000 1.068 194 M CA 1.963 57.130 55.300 -0.223 0.000 1.100 194 M CB 0.167 32.599 32.600 -0.279 0.000 1.351 194 M HN 0.156 nan 8.290 nan 0.000 0.404 195 L N 0.149 121.192 121.223 -0.301 0.000 2.728 195 L HA 0.234 4.579 4.340 0.008 0.000 0.238 195 L C -0.046 176.790 176.870 -0.057 0.000 1.143 195 L CA 0.462 55.201 54.840 -0.169 0.000 0.937 195 L CB -1.251 40.673 42.059 -0.225 0.000 1.225 195 L HN 0.386 nan 8.230 nan 0.000 0.507 196 N N -1.407 117.234 118.700 -0.099 0.000 2.714 196 N HA -0.257 4.488 4.740 0.008 0.000 0.253 196 N C 0.343 175.947 175.510 0.157 0.000 1.024 196 N CA 0.339 53.396 53.050 0.012 0.000 0.726 196 N CB -0.795 37.702 38.487 0.017 0.000 0.908 196 N HN 0.296 nan 8.380 nan 0.000 0.542 197 W N 0.010 121.294 121.300 -0.027 0.000 2.436 197 W HA 0.150 4.815 4.660 0.008 0.000 0.284 197 W C 1.336 177.838 176.519 -0.028 0.000 1.225 197 W CA 0.840 58.170 57.345 -0.025 0.000 1.271 197 W CB -0.361 29.081 29.460 -0.029 0.000 1.114 197 W HN 0.422 nan 8.180 nan 0.000 0.559 198 M N -3.241 116.468 119.600 0.182 0.000 3.118 198 M HA 0.244 4.729 4.480 0.008 0.000 0.276 198 M C -1.505 174.803 176.300 0.014 0.000 1.099 198 M CA -0.901 54.456 55.300 0.095 0.000 0.802 198 M CB 1.385 34.082 32.600 0.162 0.000 1.618 198 M HN -0.257 nan 8.290 nan 0.000 0.535 199 H N 1.592 120.693 119.070 0.051 0.000 2.929 199 H HA 0.378 4.939 4.556 0.008 0.000 0.317 199 H C -1.118 174.191 175.328 -0.032 0.000 1.031 199 H CA 0.841 56.866 56.048 -0.039 0.000 1.466 199 H CB 0.039 29.742 29.762 -0.098 0.000 1.482 199 H HN 0.510 nan 8.280 nan 0.000 0.561 200 Y N 1.100 121.454 120.300 0.089 0.000 2.354 200 Y HA 0.401 4.955 4.550 0.008 0.000 0.322 200 Y C -0.135 175.785 175.900 0.033 0.000 1.253 200 Y CA -1.325 56.798 58.100 0.038 0.000 1.272 200 Y CB 0.645 39.103 38.460 -0.003 0.000 1.255 200 Y HN 0.464 nan 8.280 nan 0.000 0.500 201 N N 0.860 119.678 118.700 0.196 0.000 2.502 201 N HA 0.095 4.840 4.740 0.008 0.000 0.280 201 N C 0.803 176.392 175.510 0.131 0.000 1.223 201 N CA -0.481 52.624 53.050 0.092 0.000 0.966 201 N CB 0.874 39.395 38.487 0.055 0.000 1.203 201 N HN 0.905 nan 8.380 nan 0.000 0.565 202 Q N -1.030 118.754 119.800 -0.027 0.000 2.291 202 Q HA -0.091 4.253 4.340 0.008 0.000 0.205 202 Q C 0.747 176.661 176.000 -0.143 0.000 0.970 202 Q CA 1.496 57.173 55.803 -0.209 0.000 0.876 202 Q CB -0.572 27.801 28.738 -0.608 0.000 0.935 202 Q HN 0.709 nan 8.270 nan 0.000 0.455 203 T N -1.028 113.522 114.554 -0.006 0.000 3.113 203 T HA -0.025 4.329 4.350 0.008 0.000 0.263 203 T C 1.886 176.682 174.700 0.160 0.000 1.143 203 T CA 0.725 62.887 62.100 0.103 0.000 1.090 203 T CB -0.533 68.404 68.868 0.116 0.000 0.922 203 T HN 0.338 nan 8.240 nan 0.000 0.521 204 V N 0.591 120.583 119.914 0.129 0.000 2.370 204 V HA -0.243 3.882 4.120 0.008 0.000 0.252 204 V C 2.024 178.225 176.094 0.178 0.000 1.068 204 V CA 2.161 64.528 62.300 0.113 0.000 1.061 204 V CB -0.860 30.967 31.823 0.008 0.000 0.656 204 V HN 0.300 nan 8.190 nan 0.000 0.455 205 D N 0.356 120.869 120.400 0.189 0.000 2.183 205 D HA -0.009 4.635 4.640 0.008 0.000 0.203 205 D C 2.210 178.631 176.300 0.202 0.000 0.969 205 D CA 1.272 55.395 54.000 0.204 0.000 0.842 205 D CB -0.091 40.890 40.800 0.301 0.000 0.957 205 D HN 0.448 nan 8.370 nan 0.000 0.484 206 I N 0.279 120.989 120.570 0.234 0.000 2.315 206 I HA -0.200 3.974 4.170 0.008 0.000 0.248 206 I C 2.396 178.640 176.117 0.213 0.000 1.117 206 I CA 0.634 62.051 61.300 0.196 0.000 1.404 206 I CB -0.946 37.169 38.000 0.192 0.000 1.071 206 I HN 0.257 nan 8.210 nan 0.000 0.419 207 W N 2.295 123.653 121.300 0.096 0.000 2.318 207 W HA -0.271 4.394 4.660 0.008 0.000 0.313 207 W C 2.559 179.155 176.519 0.128 0.000 1.221 207 W CA 2.049 59.461 57.345 0.111 0.000 1.266 207 W CB -0.212 29.300 29.460 0.086 0.000 1.150 207 W HN 0.120 nan 8.180 nan 0.000 0.496 208 S N 0.608 116.495 115.700 0.312 0.000 2.368 208 S HA -0.194 4.281 4.470 0.008 0.000 0.225 208 S C 1.807 176.471 174.600 0.107 0.000 1.030 208 S CA 1.705 60.042 58.200 0.229 0.000 0.999 208 S CB -0.814 62.487 63.200 0.168 0.000 0.844 208 S HN 0.135 nan 8.310 nan 0.000 0.459 209 V N 1.852 121.800 119.914 0.056 0.000 2.343 209 V HA -0.160 3.965 4.120 0.008 0.000 0.247 209 V C 2.650 178.732 176.094 -0.021 0.000 1.051 209 V CA 1.905 64.211 62.300 0.010 0.000 1.036 209 V CB -1.634 30.196 31.823 0.011 0.000 0.654 209 V HN 0.581 nan 8.190 nan 0.000 0.451 210 G N -0.750 108.008 108.800 -0.069 0.000 2.459 210 G HA2 -0.302 3.663 3.960 0.008 0.000 0.217 210 G HA3 -0.302 3.663 3.960 0.008 0.000 0.217 210 G C 1.763 176.542 174.900 -0.201 0.000 1.183 210 G CA 1.456 46.453 45.100 -0.171 0.000 0.776 210 G HN 0.538 nan 8.290 nan 0.000 0.552 211 C N 0.329 119.514 119.300 -0.192 0.000 2.401 211 C HA -0.034 4.431 4.460 0.008 0.000 0.276 211 C C 2.861 177.875 174.990 0.040 0.000 1.233 211 C CA 0.673 59.622 59.018 -0.115 0.000 1.753 211 C CB -1.096 26.669 27.740 0.042 0.000 2.029 211 C HN 0.474 nan 8.230 nan 0.000 0.478 212 I N 0.188 120.829 120.570 0.117 0.000 2.202 212 I HA -0.258 3.917 4.170 0.008 0.000 0.242 212 I C 2.661 178.792 176.117 0.023 0.000 1.091 212 I CA 1.683 63.044 61.300 0.102 0.000 1.368 212 I CB -0.439 37.573 38.000 0.020 0.000 1.058 212 I HN 0.356 nan 8.210 nan 0.000 0.410 213 M N 0.721 120.306 119.600 -0.025 0.000 2.117 213 M HA -0.228 4.257 4.480 0.008 0.000 0.262 213 M C 2.434 178.668 176.300 -0.110 0.000 1.065 213 M CA 2.196 57.468 55.300 -0.047 0.000 1.114 213 M CB -0.147 32.411 32.600 -0.070 0.000 1.361 213 M HN 0.265 nan 8.290 nan 0.000 0.408 214 A N 0.120 122.827 122.820 -0.188 0.000 1.892 214 A HA -0.288 4.037 4.320 0.008 0.000 0.218 214 A C 1.948 179.511 177.584 -0.035 0.000 1.188 214 A CA 2.295 54.214 52.037 -0.197 0.000 0.631 214 A CB -1.074 17.823 19.000 -0.172 0.000 0.822 214 A HN 0.734 nan 8.150 nan 0.000 0.447 215 E N -0.282 119.906 120.200 -0.021 0.000 2.110 215 E HA -0.142 4.213 4.350 0.008 0.000 0.193 215 E C 1.913 178.535 176.600 0.037 0.000 0.988 215 E CA 1.023 57.436 56.400 0.022 0.000 0.804 215 E CB -0.205 29.543 29.700 0.080 0.000 0.745 215 E HN 0.654 nan 8.360 nan 0.000 0.458 216 L N 0.345 121.590 121.223 0.035 0.000 2.093 216 L HA -0.168 4.176 4.340 0.008 0.000 0.208 216 L C 2.460 179.365 176.870 0.057 0.000 1.085 216 L CA 0.709 55.580 54.840 0.053 0.000 0.755 216 L CB -0.353 41.745 42.059 0.064 0.000 0.904 216 L HN 0.256 nan 8.230 nan 0.000 0.435 217 L N -0.490 120.754 121.223 0.034 0.000 2.072 217 L HA -0.141 4.203 4.340 0.008 0.000 0.205 217 L C 2.684 179.593 176.870 0.065 0.000 1.079 217 L CA 1.878 56.743 54.840 0.042 0.000 0.752 217 L CB -0.624 41.426 42.059 -0.015 0.000 0.906 217 L HN 0.420 nan 8.230 nan 0.000 0.436 218 T N -4.735 109.860 114.554 0.068 0.000 3.037 218 T HA 0.222 4.577 4.350 0.008 0.000 0.252 218 T C 1.511 176.228 174.700 0.029 0.000 1.073 218 T CA 0.517 62.650 62.100 0.054 0.000 1.091 218 T CB 0.650 69.546 68.868 0.047 0.000 0.935 218 T HN 0.415 nan 8.240 nan 0.000 0.488 219 G N 1.812 110.632 108.800 0.033 0.000 2.159 219 G HA2 -0.200 3.765 3.960 0.008 0.000 0.256 219 G HA3 -0.200 3.765 3.960 0.008 0.000 0.256 219 G C 0.037 174.948 174.900 0.018 0.000 0.977 219 G CA -0.069 45.050 45.100 0.031 0.000 0.652 219 G HN 0.676 nan 8.290 nan 0.000 0.531 220 R N 0.135 120.633 120.500 -0.005 0.000 2.744 220 R HA 0.543 4.888 4.340 0.008 0.000 0.279 220 R C -0.051 176.199 176.300 -0.083 0.000 0.977 220 R CA -0.413 55.661 56.100 -0.043 0.000 0.906 220 R CB 0.754 31.008 30.300 -0.075 0.000 1.197 220 R HN 0.151 nan 8.270 nan 0.000 0.463 221 T N 2.672 117.144 114.554 -0.136 0.000 2.934 221 T HA -0.026 4.328 4.350 0.008 0.000 0.306 221 T C 1.584 176.073 174.700 -0.351 0.000 1.042 221 T CA -0.175 61.775 62.100 -0.249 0.000 1.145 221 T CB 0.528 69.107 68.868 -0.481 0.000 0.982 221 T HN 0.350 nan 8.240 nan 0.000 0.544 222 L N 2.400 123.366 121.223 -0.430 0.000 2.044 222 L HA 0.219 4.564 4.340 0.008 0.000 0.205 222 L C 0.376 176.780 176.870 -0.776 0.000 1.075 222 L CA 1.748 56.185 54.840 -0.671 0.000 0.747 222 L CB -0.260 41.251 42.059 -0.912 0.000 0.903 222 L HN 0.648 nan 8.230 nan 0.000 0.435 223 F N 1.071 120.842 119.950 -0.299 0.000 2.523 223 F HA 0.400 4.931 4.527 0.008 0.000 0.322 223 F C -2.090 173.393 175.800 -0.529 0.000 1.361 223 F CA -2.651 55.186 58.000 -0.272 0.000 1.151 223 F CB 0.062 39.003 39.000 -0.098 0.000 1.391 223 F HN 0.038 nan 8.300 nan 0.000 0.566 224 P HA 0.138 nan 4.420 nan 0.000 0.230 224 P C 0.623 177.636 177.300 -0.479 0.000 1.791 224 P CA 0.269 62.557 63.100 -1.352 0.000 1.020 224 P CB 0.309 31.350 31.700 -1.097 0.000 1.977 225 G N 1.348 110.053 108.800 -0.159 0.000 2.491 225 G HA2 0.191 4.156 3.960 0.008 0.000 0.242 225 G HA3 0.191 4.156 3.960 0.008 0.000 0.242 225 G C 1.197 176.305 174.900 0.346 0.000 1.266 225 G CA -0.175 45.006 45.100 0.135 0.000 0.844 225 G HN 0.334 nan 8.290 nan 0.000 0.571 226 T N -1.736 113.012 114.554 0.323 0.000 3.085 226 T HA 0.166 4.521 4.350 0.008 0.000 0.263 226 T C 0.452 175.307 174.700 0.258 0.000 1.127 226 T CA 0.916 63.237 62.100 0.369 0.000 1.103 226 T CB -0.360 68.636 68.868 0.214 0.000 0.921 226 T HN 0.787 nan 8.240 nan 0.000 0.510 227 D N -1.980 118.540 120.400 0.201 0.000 2.738 227 D HA 0.242 4.887 4.640 0.008 0.000 0.308 227 D C 0.074 176.461 176.300 0.145 0.000 1.311 227 D CA -0.885 53.222 54.000 0.177 0.000 0.799 227 D CB 0.112 41.012 40.800 0.165 0.000 1.332 227 D HN -0.095 nan 8.370 nan 0.000 0.441 228 H N -0.546 118.549 119.070 0.040 0.000 2.353 228 H HA -0.063 4.497 4.556 0.008 0.000 0.298 228 H C 1.546 176.886 175.328 0.020 0.000 1.103 228 H CA 1.987 58.041 56.048 0.010 0.000 1.293 228 H CB -0.065 29.681 29.762 -0.026 0.000 1.372 228 H HN 0.333 nan 8.280 nan 0.000 0.501 229 I N -0.003 120.662 120.570 0.158 0.000 2.333 229 I HA -0.146 4.029 4.170 0.008 0.000 0.246 229 I C 2.101 178.297 176.117 0.131 0.000 1.106 229 I CA 1.144 62.521 61.300 0.128 0.000 1.411 229 I CB -1.008 37.033 38.000 0.068 0.000 1.082 229 I HN 0.250 nan 8.210 nan 0.000 0.420 230 D N 0.737 121.205 120.400 0.114 0.000 2.123 230 D HA -0.277 4.368 4.640 0.008 0.000 0.196 230 D C 2.254 178.606 176.300 0.087 0.000 0.992 230 D CA 1.533 55.594 54.000 0.101 0.000 0.833 230 D CB 0.034 40.898 40.800 0.106 0.000 0.954 230 D HN 0.315 nan 8.370 nan 0.000 0.455 231 Q N -0.793 119.055 119.800 0.080 0.000 2.050 231 Q HA -0.168 4.177 4.340 0.008 0.000 0.202 231 Q C 2.194 178.179 176.000 -0.026 0.000 0.980 231 Q CA 1.175 57.002 55.803 0.041 0.000 0.840 231 Q CB -0.263 28.495 28.738 0.034 0.000 0.898 231 Q HN 0.371 nan 8.270 nan 0.000 0.424 232 L N 1.179 122.405 121.223 0.004 0.000 2.012 232 L HA -0.224 4.121 4.340 0.008 0.000 0.210 232 L C 1.905 178.796 176.870 0.035 0.000 1.073 232 L CA 1.975 56.822 54.840 0.013 0.000 0.748 232 L CB -0.397 41.741 42.059 0.132 0.000 0.891 232 L HN 0.100 nan 8.230 nan 0.000 0.431 233 K N -0.750 119.694 120.400 0.074 0.000 2.063 233 K HA -0.166 4.159 4.320 0.008 0.000 0.208 233 K C 2.096 178.728 176.600 0.054 0.000 1.048 233 K CA 1.793 58.123 56.287 0.071 0.000 0.928 233 K CB -0.381 32.169 32.500 0.083 0.000 0.713 233 K HN 0.366 nan 8.250 nan 0.000 0.442 234 L N 0.779 122.035 121.223 0.054 0.000 2.012 234 L HA -0.225 4.120 4.340 0.008 0.000 0.210 234 L C 2.417 179.345 176.870 0.098 0.000 1.073 234 L CA 1.275 56.177 54.840 0.104 0.000 0.748 234 L CB -0.548 41.615 42.059 0.173 0.000 0.891 234 L HN 0.190 nan 8.230 nan 0.000 0.431 235 I N -0.138 120.325 120.570 -0.179 0.000 2.127 235 I HA -0.339 3.836 4.170 0.008 0.000 0.241 235 I C 2.397 178.523 176.117 0.016 0.000 1.075 235 I CA 1.547 62.621 61.300 -0.377 0.000 1.334 235 I CB -0.250 37.457 38.000 -0.489 0.000 1.040 235 I HN 0.217 nan 8.210 nan 0.000 0.405 236 L N -0.148 121.100 121.223 0.042 0.000 2.291 236 L HA -0.121 4.224 4.340 0.008 0.000 0.214 236 L C 2.673 179.603 176.870 0.101 0.000 1.120 236 L CA 0.699 55.594 54.840 0.093 0.000 0.799 236 L CB -0.562 41.543 42.059 0.078 0.000 0.925 236 L HN 0.216 nan 8.230 nan 0.000 0.446 237 R N 0.385 120.940 120.500 0.091 0.000 2.081 237 R HA -0.192 4.153 4.340 0.008 0.000 0.235 237 R C 2.267 178.632 176.300 0.109 0.000 1.131 237 R CA 1.496 57.647 56.100 0.084 0.000 0.960 237 R CB -0.119 30.219 30.300 0.065 0.000 0.856 237 R HN 0.226 nan 8.270 nan 0.000 0.436 238 L N 0.332 121.649 121.223 0.156 0.000 2.049 238 L HA -0.080 4.265 4.340 0.008 0.000 0.203 238 L C 2.064 179.121 176.870 0.311 0.000 1.074 238 L CA 1.518 56.460 54.840 0.170 0.000 0.749 238 L CB -0.163 42.009 42.059 0.188 0.000 0.907 238 L HN 0.107 nan 8.230 nan 0.000 0.439 239 V N -2.284 117.832 119.914 0.337 0.000 3.608 239 V HA 0.552 4.676 4.120 0.008 0.000 0.269 239 V C 0.943 177.182 176.094 0.241 0.000 1.245 239 V CA 0.181 62.706 62.300 0.374 0.000 1.138 239 V CB -1.196 30.890 31.823 0.438 0.000 0.841 239 V HN 0.666 nan 8.190 nan 0.000 0.451 240 G N 1.042 109.952 108.800 0.183 0.000 2.712 240 G HA2 -0.044 3.920 3.960 0.008 0.000 0.686 240 G HA3 -0.044 3.920 3.960 0.008 0.000 0.686 240 G C -0.238 174.723 174.900 0.102 0.000 1.321 240 G CA -0.289 44.884 45.100 0.122 0.000 0.813 240 G HN 1.370 nan 8.290 nan 0.000 0.599 241 T N 0.494 115.085 114.554 0.062 0.000 2.898 241 T HA 0.630 4.985 4.350 0.008 0.000 0.301 241 T C -1.510 173.203 174.700 0.023 0.000 1.049 241 T CA -0.420 61.700 62.100 0.033 0.000 1.095 241 T CB 1.499 70.366 68.868 -0.001 0.000 0.976 241 T HN 0.725 nan 8.240 nan 0.000 0.539 242 P HA 0.322 nan 4.420 nan 0.000 0.271 242 P C 0.442 177.719 177.300 -0.038 0.000 1.218 242 P CA -0.275 62.811 63.100 -0.024 0.000 0.780 242 P CB 0.529 32.172 31.700 -0.096 0.000 0.901 243 G N 0.447 109.232 108.800 -0.024 0.000 2.557 243 G HA2 0.388 4.353 3.960 0.008 0.000 0.292 243 G HA3 0.388 4.353 3.960 0.008 0.000 0.292 243 G C 1.112 175.985 174.900 -0.043 0.000 1.237 243 G CA -0.090 44.994 45.100 -0.026 0.000 0.978 243 G HN 0.474 nan 8.290 nan 0.000 0.498 244 A N -0.930 121.867 122.820 -0.037 0.000 1.940 244 A HA -0.090 4.235 4.320 0.008 0.000 0.219 244 A C 2.051 179.610 177.584 -0.041 0.000 1.176 244 A CA 2.212 54.223 52.037 -0.043 0.000 0.631 244 A CB -0.637 18.344 19.000 -0.032 0.000 0.814 244 A HN 0.801 nan 8.150 nan 0.000 0.446 245 E N -0.681 119.503 120.200 -0.027 0.000 2.058 245 E HA -0.235 4.120 4.350 0.008 0.000 0.194 245 E C 1.891 178.475 176.600 -0.026 0.000 0.997 245 E CA 1.602 57.991 56.400 -0.019 0.000 0.801 245 E CB -0.221 29.476 29.700 -0.005 0.000 0.746 245 E HN 0.452 nan 8.360 nan 0.000 0.450 246 L N 0.800 122.003 121.223 -0.033 0.000 2.072 246 L HA -0.078 4.266 4.340 0.008 0.000 0.205 246 L C 2.157 178.962 176.870 -0.109 0.000 1.079 246 L CA 1.360 56.172 54.840 -0.047 0.000 0.752 246 L CB -0.450 41.589 42.059 -0.032 0.000 0.906 246 L HN 0.243 nan 8.230 nan 0.000 0.436 247 L N -0.509 120.635 121.223 -0.131 0.000 2.043 247 L HA -0.290 4.055 4.340 0.008 0.000 0.212 247 L C 2.588 179.381 176.870 -0.128 0.000 1.075 247 L CA 1.648 56.385 54.840 -0.171 0.000 0.752 247 L CB -0.626 41.348 42.059 -0.142 0.000 0.891 247 L HN 0.254 nan 8.230 nan 0.000 0.432 248 K N 0.196 120.548 120.400 -0.080 0.000 2.113 248 K HA -0.218 4.107 4.320 0.008 0.000 0.208 248 K C 2.004 178.578 176.600 -0.043 0.000 1.047 248 K CA 1.516 57.771 56.287 -0.053 0.000 0.928 248 K CB -0.101 32.379 32.500 -0.034 0.000 0.716 248 K HN 0.319 nan 8.250 nan 0.000 0.446 249 K N 0.456 120.831 120.400 -0.041 0.000 2.366 249 K HA 0.040 4.365 4.320 0.008 0.000 0.198 249 K C 0.446 177.038 176.600 -0.013 0.000 1.044 249 K CA 0.356 56.636 56.287 -0.011 0.000 0.973 249 K CB 0.127 32.634 32.500 0.011 0.000 0.767 249 K HN 0.112 nan 8.250 nan 0.000 0.475 250 I N 2.567 123.087 120.570 -0.083 0.000 2.372 250 I HA -0.075 4.100 4.170 0.008 0.000 0.298 250 I C 1.262 177.344 176.117 -0.058 0.000 1.137 250 I CA -0.161 61.071 61.300 -0.113 0.000 1.314 250 I CB 0.803 38.585 38.000 -0.364 0.000 1.444 250 I HN 0.140 nan 8.210 nan 0.000 0.541 251 S N 2.229 117.934 115.700 0.007 0.000 2.461 251 S HA -0.079 4.396 4.470 0.008 0.000 0.228 251 S C 1.210 175.818 174.600 0.013 0.000 1.005 251 S CA -0.129 58.082 58.200 0.018 0.000 0.942 251 S CB -0.023 63.209 63.200 0.054 0.000 0.776 251 S HN 0.586 nan 8.310 nan 0.000 0.514 252 S N 2.087 117.800 115.700 0.022 0.000 2.465 252 S HA 0.081 4.556 4.470 0.008 0.000 0.307 252 S C 1.038 175.636 174.600 -0.002 0.000 1.187 252 S CA -0.392 57.825 58.200 0.027 0.000 1.141 252 S CB 0.148 63.396 63.200 0.080 0.000 1.108 252 S HN 0.599 nan 8.310 nan 0.000 0.525 253 E N 3.832 124.031 120.200 -0.002 0.000 2.160 253 E HA -0.130 4.225 4.350 0.008 0.000 0.195 253 E C 1.794 178.394 176.600 -0.001 0.000 0.991 253 E CA 1.301 57.694 56.400 -0.011 0.000 0.810 253 E CB -0.222 29.475 29.700 -0.004 0.000 0.742 253 E HN 0.699 nan 8.360 nan 0.000 0.466 254 S N -0.553 115.158 115.700 0.018 0.000 2.355 254 S HA -0.075 4.400 4.470 0.008 0.000 0.222 254 S C 1.927 176.567 174.600 0.067 0.000 1.031 254 S CA 1.006 59.227 58.200 0.036 0.000 0.993 254 S CB -0.212 63.007 63.200 0.032 0.000 0.859 254 S HN 0.481 nan 8.310 nan 0.000 0.453 255 A N 1.513 124.378 122.820 0.075 0.000 1.902 255 A HA -0.105 4.220 4.320 0.008 0.000 0.217 255 A C 2.102 179.676 177.584 -0.015 0.000 1.181 255 A CA 1.692 53.800 52.037 0.118 0.000 0.623 255 A CB -0.644 18.481 19.000 0.208 0.000 0.818 255 A HN 0.535 nan 8.150 nan 0.000 0.443 256 R N -0.298 120.134 120.500 -0.113 0.000 2.083 256 R HA -0.191 4.153 4.340 0.008 0.000 0.237 256 R C 2.160 178.399 176.300 -0.101 0.000 1.137 256 R CA 1.896 57.890 56.100 -0.176 0.000 0.951 256 R CB -0.474 29.739 30.300 -0.145 0.000 0.851 256 R HN 0.740 nan 8.270 nan 0.000 0.434 257 N N -1.100 117.582 118.700 -0.031 0.000 2.104 257 N HA -0.259 4.486 4.740 0.008 0.000 0.190 257 N C 1.755 177.278 175.510 0.022 0.000 1.024 257 N CA 1.422 54.470 53.050 -0.003 0.000 0.853 257 N CB -0.169 38.334 38.487 0.027 0.000 1.008 257 N HN 0.246 nan 8.380 nan 0.000 0.424 258 Y N 1.286 121.568 120.300 -0.030 0.000 2.145 258 Y HA -0.088 4.466 4.550 0.008 0.000 0.286 258 Y C 1.789 177.681 175.900 -0.014 0.000 1.145 258 Y CA 1.401 59.497 58.100 -0.007 0.000 1.148 258 Y CB -0.312 38.163 38.460 0.025 0.000 0.981 258 Y HN 0.094 nan 8.280 nan 0.000 0.507 259 I N 0.276 120.687 120.570 -0.266 0.000 2.315 259 I HA -0.313 3.862 4.170 0.008 0.000 0.248 259 I C 2.263 178.207 176.117 -0.289 0.000 1.117 259 I CA 1.449 62.548 61.300 -0.335 0.000 1.404 259 I CB -0.579 37.273 38.000 -0.247 0.000 1.071 259 I HN 0.234 nan 8.210 nan 0.000 0.419 260 Q N 0.456 120.129 119.800 -0.213 0.000 2.291 260 Q HA -0.164 4.181 4.340 0.008 0.000 0.206 260 Q C 2.354 178.265 176.000 -0.149 0.000 0.976 260 Q CA 1.644 57.355 55.803 -0.154 0.000 0.875 260 Q CB -0.206 28.465 28.738 -0.111 0.000 0.927 260 Q HN 0.660 nan 8.270 nan 0.000 0.450 261 S N -0.325 115.255 115.700 -0.199 0.000 2.447 261 S HA -0.054 4.421 4.470 0.008 0.000 0.233 261 S C 0.743 175.239 174.600 -0.173 0.000 1.006 261 S CA 0.072 58.173 58.200 -0.164 0.000 0.957 261 S CB -0.006 63.112 63.200 -0.138 0.000 0.773 261 S HN 0.065 nan 8.310 nan 0.000 0.507 262 L N 2.907 123.985 121.223 -0.241 0.000 2.417 262 L HA 0.356 4.701 4.340 0.008 0.000 0.268 262 L C 0.634 177.448 176.870 -0.094 0.000 1.158 262 L CA 0.262 55.001 54.840 -0.168 0.000 0.819 262 L CB 0.141 42.091 42.059 -0.183 0.000 1.112 262 L HN 0.121 nan 8.230 nan 0.000 0.458 263 T N 2.609 117.129 114.554 -0.056 0.000 2.901 263 T HA 0.147 4.502 4.350 0.008 0.000 0.301 263 T C 0.273 174.956 174.700 -0.028 0.000 1.012 263 T CA -0.414 61.666 62.100 -0.034 0.000 1.135 263 T CB 0.130 68.988 68.868 -0.017 0.000 0.936 263 T HN 0.410 nan 8.240 nan 0.000 0.539 264 Q N 2.508 122.294 119.800 -0.023 0.000 2.332 264 Q HA 0.393 4.738 4.340 0.008 0.000 0.263 264 Q C -0.318 175.683 176.000 0.001 0.000 0.979 264 Q CA 0.320 56.114 55.803 -0.014 0.000 0.885 264 Q CB 0.609 29.338 28.738 -0.015 0.000 1.218 264 Q HN 0.554 nan 8.270 nan 0.000 0.405 265 M N 3.389 122.997 119.600 0.013 0.000 2.457 265 M HA 0.465 4.950 4.480 0.008 0.000 0.300 265 M C -2.405 173.919 176.300 0.041 0.000 1.141 265 M CA -2.102 53.215 55.300 0.028 0.000 0.901 265 M CB 2.451 35.072 32.600 0.036 0.000 1.687 265 M HN 0.428 nan 8.290 nan 0.000 0.449 266 P HA 0.217 nan 4.420 nan 0.000 0.278 266 P C -1.311 176.041 177.300 0.087 0.000 1.258 266 P CA -0.570 62.564 63.100 0.056 0.000 0.811 266 P CB 0.810 32.538 31.700 0.047 0.000 1.063 267 K N 1.314 121.776 120.400 0.103 0.000 2.436 267 K HA 0.128 4.453 4.320 0.008 0.000 0.275 267 K C 0.307 177.009 176.600 0.169 0.000 0.999 267 K CA -0.004 56.379 56.287 0.159 0.000 0.980 267 K CB 0.093 32.673 32.500 0.134 0.000 0.919 267 K HN 0.416 nan 8.250 nan 0.000 0.484 268 M N 2.437 122.185 119.600 0.247 0.000 2.227 268 M HA 0.052 4.537 4.480 0.008 0.000 0.316 268 M C 0.565 177.042 176.300 0.294 0.000 1.144 268 M CA -0.414 55.010 55.300 0.206 0.000 1.121 268 M CB 0.642 33.316 32.600 0.122 0.000 1.440 268 M HN 0.562 nan 8.290 nan 0.000 0.473 269 N N 1.068 119.884 118.700 0.193 0.000 2.405 269 N HA 0.027 4.772 4.740 0.008 0.000 0.260 269 N C -0.080 175.604 175.510 0.290 0.000 1.152 269 N CA 0.247 53.419 53.050 0.204 0.000 0.948 269 N CB 0.415 38.965 38.487 0.105 0.000 1.111 269 N HN 0.449 nan 8.380 nan 0.000 0.485 270 F N 2.404 122.393 119.950 0.065 0.000 2.325 270 F HA 0.046 4.578 4.527 0.008 0.000 0.299 270 F C 2.239 178.130 175.800 0.152 0.000 1.090 270 F CA 0.488 58.575 58.000 0.144 0.000 1.392 270 F CB -0.721 38.413 39.000 0.224 0.000 1.053 270 F HN 0.657 nan 8.300 nan 0.000 0.521 271 A N -0.023 122.954 122.820 0.261 0.000 2.015 271 A HA -0.158 4.167 4.320 0.008 0.000 0.219 271 A C 1.971 179.601 177.584 0.076 0.000 1.163 271 A CA 1.590 53.719 52.037 0.154 0.000 0.646 271 A CB -0.575 18.487 19.000 0.102 0.000 0.806 271 A HN 0.283 nan 8.150 nan 0.000 0.448 272 N N -0.379 118.347 118.700 0.044 0.000 2.463 272 N HA 0.008 4.753 4.740 0.008 0.000 0.181 272 N C 1.391 176.831 175.510 -0.118 0.000 1.078 272 N CA 1.012 54.049 53.050 -0.021 0.000 0.902 272 N CB 0.154 38.636 38.487 -0.008 0.000 0.970 272 N HN 0.322 nan 8.380 nan 0.000 0.451 273 V N -0.315 119.468 119.914 -0.219 0.000 2.403 273 V HA 0.056 4.181 4.120 0.008 0.000 0.239 273 V C 0.376 176.099 176.094 -0.619 0.000 1.041 273 V CA 0.856 62.829 62.300 -0.544 0.000 1.051 273 V CB -0.327 30.941 31.823 -0.925 0.000 0.704 273 V HN 0.015 nan 8.190 nan 0.000 0.472 274 F N 1.682 121.573 119.950 -0.098 0.000 2.660 274 F HA 0.385 4.917 4.527 0.008 0.000 0.342 274 F C 0.426 176.201 175.800 -0.043 0.000 1.195 274 F CA -0.653 57.298 58.000 -0.081 0.000 1.300 274 F CB -0.690 38.260 39.000 -0.084 0.000 1.616 274 F HN -0.044 nan 8.300 nan 0.000 0.592 275 I N 1.885 122.467 120.570 0.021 0.000 2.668 275 I HA 0.041 4.215 4.170 0.008 0.000 0.285 275 I C 1.450 177.592 176.117 0.042 0.000 1.168 275 I CA 0.605 61.917 61.300 0.020 0.000 1.424 275 I CB -0.279 37.712 38.000 -0.015 0.000 1.377 275 I HN 0.780 nan 8.210 nan 0.000 0.560 276 G N 4.756 113.582 108.800 0.043 0.000 2.184 276 G HA2 -0.212 3.753 3.960 0.008 0.000 0.264 276 G HA3 -0.212 3.753 3.960 0.008 0.000 0.264 276 G C 0.519 175.447 174.900 0.048 0.000 0.975 276 G CA 0.212 45.335 45.100 0.039 0.000 0.642 276 G HN 1.024 nan 8.290 nan 0.000 0.536 277 A N -0.128 122.730 122.820 0.063 0.000 2.351 277 A HA 0.586 4.911 4.320 0.008 0.000 0.257 277 A C 0.769 178.369 177.584 0.027 0.000 1.087 277 A CA 0.235 52.300 52.037 0.047 0.000 0.798 277 A CB 0.265 19.291 19.000 0.044 0.000 1.033 277 A HN 0.724 nan 8.150 nan 0.000 0.488 278 N N 1.607 120.322 118.700 0.025 0.000 2.236 278 N HA -0.030 4.715 4.740 0.008 0.000 0.274 278 N C -1.713 173.783 175.510 -0.024 0.000 1.339 278 N CA -1.022 52.047 53.050 0.032 0.000 0.845 278 N CB 0.635 39.196 38.487 0.122 0.000 1.091 278 N HN 0.210 nan 8.380 nan 0.000 0.489 279 P HA -0.156 nan 4.420 nan 0.000 0.217 279 P C 1.424 178.708 177.300 -0.026 0.000 1.148 279 P CA 0.670 63.769 63.100 -0.002 0.000 0.828 279 P CB 0.307 32.018 31.700 0.017 0.000 0.783 280 L N -0.800 120.419 121.223 -0.008 0.000 2.083 280 L HA -0.095 4.250 4.340 0.008 0.000 0.209 280 L C 2.396 179.095 176.870 -0.285 0.000 1.083 280 L CA 1.734 56.589 54.840 0.025 0.000 0.752 280 L CB -2.014 40.150 42.059 0.175 0.000 0.899 280 L HN -0.072 nan 8.230 nan 0.000 0.433 281 A N -1.035 121.410 122.820 -0.624 0.000 1.898 281 A HA -0.134 4.191 4.320 0.008 0.000 0.216 281 A C 2.411 179.671 177.584 -0.540 0.000 1.181 281 A CA 1.776 53.199 52.037 -1.023 0.000 0.620 281 A CB -0.810 17.666 19.000 -0.874 0.000 0.819 281 A HN 0.201 nan 8.150 nan 0.000 0.442 282 V N 0.478 120.217 119.914 -0.292 0.000 2.343 282 V HA -0.270 3.854 4.120 0.008 0.000 0.247 282 V C 2.322 178.355 176.094 -0.102 0.000 1.051 282 V CA 2.504 64.729 62.300 -0.125 0.000 1.036 282 V CB -0.861 30.981 31.823 0.031 0.000 0.654 282 V HN 0.743 nan 8.190 nan 0.000 0.451 283 D N -0.259 120.083 120.400 -0.098 0.000 2.104 283 D HA -0.211 4.434 4.640 0.008 0.000 0.194 283 D C 1.980 178.208 176.300 -0.120 0.000 0.994 283 D CA 1.410 55.381 54.000 -0.049 0.000 0.830 283 D CB -0.126 40.724 40.800 0.083 0.000 0.959 283 D HN 0.266 nan 8.370 nan 0.000 0.452 284 L N 0.215 121.232 121.223 -0.343 0.000 2.017 284 L HA -0.063 4.281 4.340 0.008 0.000 0.208 284 L C 2.176 178.887 176.870 -0.265 0.000 1.073 284 L CA 1.452 55.986 54.840 -0.510 0.000 0.745 284 L CB -0.635 40.947 42.059 -0.795 0.000 0.894 284 L HN 0.220 nan 8.230 nan 0.000 0.432 285 L N -0.612 120.457 121.223 -0.257 0.000 2.013 285 L HA -0.293 4.052 4.340 0.008 0.000 0.212 285 L C 2.541 179.404 176.870 -0.013 0.000 1.073 285 L CA 1.860 56.614 54.840 -0.143 0.000 0.753 285 L CB -0.640 41.286 42.059 -0.222 0.000 0.890 285 L HN 0.379 nan 8.230 nan 0.000 0.432 286 E N -0.123 119.989 120.200 -0.147 0.000 2.160 286 E HA -0.240 4.114 4.350 0.008 0.000 0.195 286 E C 2.127 178.629 176.600 -0.164 0.000 0.991 286 E CA 1.153 57.311 56.400 -0.403 0.000 0.810 286 E CB 0.017 29.381 29.700 -0.561 0.000 0.742 286 E HN 0.460 nan 8.360 nan 0.000 0.466 287 K N -0.217 120.129 120.400 -0.089 0.000 2.228 287 K HA 0.035 4.359 4.320 0.008 0.000 0.202 287 K C 1.983 178.602 176.600 0.032 0.000 1.051 287 K CA 0.720 56.999 56.287 -0.014 0.000 0.960 287 K CB 0.124 32.631 32.500 0.012 0.000 0.743 287 K HN 0.118 nan 8.250 nan 0.000 0.458 288 M N 0.059 119.666 119.600 0.011 0.000 2.248 288 M HA -0.020 4.465 4.480 0.008 0.000 0.265 288 M C 0.216 176.566 176.300 0.083 0.000 1.079 288 M CA 0.739 56.066 55.300 0.045 0.000 1.150 288 M CB 0.292 32.884 32.600 -0.014 0.000 1.366 288 M HN -0.034 nan 8.290 nan 0.000 0.433 289 L N 1.656 122.899 121.223 0.032 0.000 2.796 289 L HA 0.252 4.597 4.340 0.008 0.000 0.235 289 L C -0.497 176.572 176.870 0.331 0.000 1.344 289 L CA -0.156 54.670 54.840 -0.023 0.000 1.245 289 L CB -0.833 41.184 42.059 -0.070 0.000 1.556 289 L HN -0.101 nan 8.230 nan 0.000 0.423 290 V N 0.869 121.031 119.914 0.414 0.000 2.427 290 V HA 0.146 4.271 4.120 0.008 0.000 0.286 290 V C 1.307 177.667 176.094 0.444 0.000 1.034 290 V CA -0.547 61.961 62.300 0.346 0.000 0.893 290 V CB 2.345 34.290 31.823 0.204 0.000 0.982 290 V HN 0.346 nan 8.190 nan 0.000 0.452 291 L N 2.762 124.187 121.223 0.337 0.000 2.046 291 L HA 0.017 4.362 4.340 0.008 0.000 0.208 291 L C 1.231 178.196 176.870 0.158 0.000 1.077 291 L CA 1.660 56.629 54.840 0.214 0.000 0.747 291 L CB -0.255 41.926 42.059 0.203 0.000 0.896 291 L HN 0.754 nan 8.230 nan 0.000 0.432 292 D N -1.374 119.118 120.400 0.153 0.000 2.338 292 D HA 0.010 4.654 4.640 0.008 0.000 0.255 292 D C 1.355 177.731 176.300 0.126 0.000 1.237 292 D CA 0.685 54.759 54.000 0.124 0.000 0.883 292 D CB 1.278 42.133 40.800 0.092 0.000 1.087 292 D HN 0.312 nan 8.370 nan 0.000 0.485 293 S N 2.712 118.481 115.700 0.116 0.000 2.453 293 S HA -0.149 4.326 4.470 0.008 0.000 0.231 293 S C 1.164 175.823 174.600 0.099 0.000 1.005 293 S CA 0.511 58.779 58.200 0.114 0.000 0.949 293 S CB 0.098 63.356 63.200 0.097 0.000 0.774 293 S HN 0.394 nan 8.310 nan 0.000 0.510 294 D N 2.118 122.568 120.400 0.083 0.000 2.178 294 D HA -0.020 4.624 4.640 0.008 0.000 0.201 294 D C 1.577 177.919 176.300 0.069 0.000 0.980 294 D CA 1.093 55.132 54.000 0.066 0.000 0.842 294 D CB -0.121 40.711 40.800 0.054 0.000 0.948 294 D HN 0.591 nan 8.370 nan 0.000 0.472 295 K N -0.009 120.440 120.400 0.081 0.000 2.358 295 K HA 0.163 4.488 4.320 0.008 0.000 0.197 295 K C 0.557 177.214 176.600 0.096 0.000 1.025 295 K CA -0.249 56.086 56.287 0.079 0.000 1.104 295 K CB 0.889 33.433 32.500 0.073 0.000 0.855 295 K HN -0.029 nan 8.250 nan 0.000 0.531 296 R N 1.334 121.905 120.500 0.118 0.000 2.643 296 R HA 0.170 4.515 4.340 0.008 0.000 0.270 296 R C 0.287 176.654 176.300 0.111 0.000 1.061 296 R CA -0.213 55.968 56.100 0.135 0.000 1.107 296 R CB 0.572 30.977 30.300 0.174 0.000 0.999 296 R HN 0.099 nan 8.270 nan 0.000 0.460 297 I N 1.851 122.486 120.570 0.108 0.000 2.692 297 I HA -0.055 4.120 4.170 0.008 0.000 0.284 297 I C 0.768 176.954 176.117 0.115 0.000 1.159 297 I CA 0.399 61.762 61.300 0.104 0.000 1.423 297 I CB 0.834 38.894 38.000 0.101 0.000 1.380 297 I HN 0.736 nan 8.210 nan 0.000 0.580 298 T N 3.636 118.257 114.554 0.111 0.000 2.824 298 T HA 0.438 4.793 4.350 0.008 0.000 0.277 298 T C 1.059 175.834 174.700 0.124 0.000 0.975 298 T CA -0.161 62.015 62.100 0.126 0.000 0.966 298 T CB 1.522 70.457 68.868 0.112 0.000 1.054 298 T HN 0.693 nan 8.240 nan 0.000 0.533 299 A N 0.764 123.666 122.820 0.138 0.000 1.877 299 A HA 0.202 4.526 4.320 0.008 0.000 0.216 299 A C 2.646 180.259 177.584 0.047 0.000 1.186 299 A CA 1.815 53.889 52.037 0.063 0.000 0.620 299 A CB -1.587 17.411 19.000 -0.003 0.000 0.822 299 A HN 1.228 nan 8.150 nan 0.000 0.443 300 A N -0.776 122.086 122.820 0.069 0.000 1.902 300 A HA -0.197 4.127 4.320 0.008 0.000 0.217 300 A C 2.119 179.752 177.584 0.081 0.000 1.181 300 A CA 1.729 53.809 52.037 0.072 0.000 0.623 300 A CB -0.592 18.456 19.000 0.080 0.000 0.818 300 A HN 0.641 nan 8.150 nan 0.000 0.443 301 Q N -0.514 119.340 119.800 0.090 0.000 2.030 301 Q HA -0.138 4.207 4.340 0.008 0.000 0.204 301 Q C 2.425 178.504 176.000 0.133 0.000 0.986 301 Q CA 1.767 57.630 55.803 0.100 0.000 0.843 301 Q CB -0.450 28.349 28.738 0.102 0.000 0.904 301 Q HN 0.673 nan 8.270 nan 0.000 0.420 302 A N 0.627 123.538 122.820 0.151 0.000 1.978 302 A HA -0.165 4.160 4.320 0.008 0.000 0.220 302 A C 2.050 179.828 177.584 0.323 0.000 1.170 302 A CA 1.140 53.320 52.037 0.238 0.000 0.636 302 A CB -0.694 18.426 19.000 0.200 0.000 0.810 302 A HN 0.322 nan 8.150 nan 0.000 0.448 303 L N -1.021 120.286 121.223 0.141 0.000 2.191 303 L HA -0.176 4.169 4.340 0.008 0.000 0.212 303 L C 2.785 179.591 176.870 -0.107 0.000 1.103 303 L CA 0.952 55.847 54.840 0.090 0.000 0.769 303 L CB -0.323 41.768 42.059 0.053 0.000 0.908 303 L HN 0.435 nan 8.230 nan 0.000 0.438 304 A N -2.249 120.472 122.820 -0.165 0.000 2.208 304 A HA -0.076 4.249 4.320 0.008 0.000 0.209 304 A C 1.024 178.606 177.584 -0.003 0.000 1.161 304 A CA -0.038 51.822 52.037 -0.296 0.000 0.782 304 A CB -0.640 18.305 19.000 -0.093 0.000 0.816 304 A HN 0.320 nan 8.150 nan 0.000 0.477 305 H N -0.012 119.109 119.070 0.086 0.000 2.897 305 H HA 0.221 4.781 4.556 0.008 0.000 0.347 305 H C 1.450 176.819 175.328 0.069 0.000 1.068 305 H CA 0.533 56.636 56.048 0.091 0.000 1.426 305 H CB 1.030 30.862 29.762 0.117 0.000 1.410 305 H HN 0.178 nan 8.280 nan 0.000 0.597 306 A N 5.079 127.794 122.820 -0.176 0.000 2.131 306 A HA -0.235 4.090 4.320 0.008 0.000 0.220 306 A C 1.948 179.592 177.584 0.100 0.000 1.158 306 A CA 1.066 53.086 52.037 -0.028 0.000 0.665 306 A CB -0.757 18.177 19.000 -0.109 0.000 0.795 306 A HN 0.837 nan 8.150 nan 0.000 0.460 307 Y N -0.305 120.026 120.300 0.051 0.000 2.224 307 Y HA -0.155 4.400 4.550 0.008 0.000 0.289 307 Y C 0.937 176.673 175.900 -0.274 0.000 1.146 307 Y CA 1.265 59.237 58.100 -0.214 0.000 1.182 307 Y CB -0.310 37.842 38.460 -0.514 0.000 0.983 307 Y HN 0.319 nan 8.280 nan 0.000 0.524 308 F N -0.792 119.255 119.950 0.162 0.000 2.645 308 F HA 0.386 4.918 4.527 0.008 0.000 0.300 308 F C 1.975 177.821 175.800 0.077 0.000 1.115 308 F CA 0.096 58.161 58.000 0.108 0.000 1.355 308 F CB -1.040 38.114 39.000 0.257 0.000 1.026 308 F HN 0.060 nan 8.300 nan 0.000 0.536 309 A N -0.060 122.843 122.820 0.138 0.000 1.986 309 A HA -0.217 4.107 4.320 0.008 0.000 0.220 309 A C 2.264 179.838 177.584 -0.016 0.000 1.171 309 A CA 1.533 53.622 52.037 0.087 0.000 0.640 309 A CB -0.339 18.682 19.000 0.035 0.000 0.811 309 A HN 0.289 nan 8.150 nan 0.000 0.451 310 Q N -1.981 117.735 119.800 -0.140 0.000 2.369 310 Q HA -0.099 4.246 4.340 0.008 0.000 0.206 310 Q C 1.100 176.737 176.000 -0.604 0.000 0.963 310 Q CA 1.267 56.836 55.803 -0.390 0.000 0.894 310 Q CB -0.176 28.225 28.738 -0.562 0.000 0.965 310 Q HN 0.920 nan 8.270 nan 0.000 0.475 311 Y N -1.911 118.290 120.300 -0.165 0.000 2.535 311 Y HA 0.090 4.644 4.550 0.008 0.000 0.264 311 Y C 0.822 176.443 175.900 -0.466 0.000 1.087 311 Y CA -0.592 57.259 58.100 -0.414 0.000 1.285 311 Y CB -0.141 37.861 38.460 -0.763 0.000 1.200 311 Y HN 0.100 nan 8.280 nan 0.000 0.514 312 H N 1.907 120.874 119.070 -0.171 0.000 3.046 312 H HA 0.171 4.732 4.556 0.008 0.000 0.303 312 H C -0.982 174.395 175.328 0.083 0.000 1.002 312 H CA 0.132 56.220 56.048 0.067 0.000 1.460 312 H CB 0.194 30.076 29.762 0.199 0.000 1.493 312 H HN 0.041 nan 8.280 nan 0.000 0.559 313 D N 6.826 127.109 120.400 -0.196 0.000 2.402 313 D HA 0.165 4.809 4.640 0.008 0.000 0.252 313 D C -2.121 174.045 176.300 -0.223 0.000 1.294 313 D CA -2.131 51.729 54.000 -0.234 0.000 0.948 313 D CB 1.643 42.424 40.800 -0.032 0.000 1.202 313 D HN 0.374 nan 8.370 nan 0.000 0.561 314 P HA -0.022 nan 4.420 nan 0.000 0.230 314 P C 0.301 177.611 177.300 0.016 0.000 1.158 314 P CA 0.561 63.621 63.100 -0.067 0.000 0.769 314 P CB 0.610 32.300 31.700 -0.015 0.000 0.807 315 D N -0.555 119.842 120.400 -0.005 0.000 2.349 315 D HA -0.027 4.617 4.640 0.008 0.000 0.215 315 D C 0.391 176.716 176.300 0.041 0.000 1.016 315 D CA 0.810 54.823 54.000 0.022 0.000 0.870 315 D CB -0.000 40.805 40.800 0.008 0.000 0.917 315 D HN 0.169 nan 8.370 nan 0.000 0.524 316 D N 0.543 120.977 120.400 0.056 0.000 2.945 316 D HA 0.094 4.739 4.640 0.008 0.000 0.366 316 D C -0.686 175.687 176.300 0.120 0.000 1.352 316 D CA -0.137 53.908 54.000 0.075 0.000 0.810 316 D CB -0.008 40.831 40.800 0.066 0.000 1.170 316 D HN -0.108 nan 8.370 nan 0.000 0.461 317 E N 1.357 121.637 120.200 0.133 0.000 3.935 317 E HA 0.212 4.566 4.350 0.008 0.000 0.226 317 E C -2.395 174.306 176.600 0.169 0.000 1.220 317 E CA -1.442 55.055 56.400 0.162 0.000 1.226 317 E CB 1.466 31.273 29.700 0.178 0.000 1.237 317 E HN 0.241 nan 8.360 nan 0.000 0.417 318 P HA 0.061 nan 4.420 nan 0.000 0.274 318 P C 0.123 177.576 177.300 0.256 0.000 1.246 318 P CA -0.357 62.870 63.100 0.212 0.000 0.795 318 P CB 1.031 32.862 31.700 0.218 0.000 1.006 319 V N -2.227 117.794 119.914 0.179 0.000 3.211 319 V HA 0.835 4.960 4.120 0.008 0.000 0.319 319 V C 0.110 176.205 176.094 0.002 0.000 1.096 319 V CA -1.238 61.105 62.300 0.070 0.000 1.029 319 V CB 0.541 32.377 31.823 0.022 0.000 1.137 319 V HN 0.712 nan 8.190 nan 0.000 0.453 320 A N 0.726 123.323 122.820 -0.370 0.000 2.316 320 A HA 0.506 4.830 4.320 0.008 0.000 0.284 320 A C 0.002 177.547 177.584 -0.066 0.000 1.115 320 A CA -0.516 51.226 52.037 -0.492 0.000 0.812 320 A CB -0.161 18.343 19.000 -0.827 0.000 1.064 320 A HN 0.958 nan 8.150 nan 0.000 0.489 321 D N 1.580 121.998 120.400 0.030 0.000 2.419 321 D HA 0.232 4.877 4.640 0.008 0.000 0.236 321 D C -2.265 174.196 176.300 0.268 0.000 1.165 321 D CA -0.350 53.724 54.000 0.123 0.000 0.882 321 D CB -0.104 40.750 40.800 0.089 0.000 1.201 321 D HN 0.223 nan 8.370 nan 0.000 0.443 322 P HA -0.026 nan 4.420 nan 0.000 0.265 322 P C -0.768 176.648 177.300 0.193 0.000 1.193 322 P CA 0.229 63.421 63.100 0.154 0.000 0.765 322 P CB 0.109 31.867 31.700 0.097 0.000 0.823 323 Y N 3.015 123.242 120.300 -0.122 0.000 2.328 323 Y HA 0.289 4.843 4.550 0.008 0.000 0.333 323 Y C -0.381 175.442 175.900 -0.127 0.000 0.958 323 Y CA -1.458 56.436 58.100 -0.343 0.000 1.167 323 Y CB 0.762 38.865 38.460 -0.596 0.000 1.151 323 Y HN 0.262 nan 8.280 nan 0.000 0.470 324 D N 5.429 125.605 120.400 -0.373 0.000 2.352 324 D HA 0.085 4.729 4.640 0.008 0.000 0.245 324 D C -0.240 175.754 176.300 -0.510 0.000 1.224 324 D CA 0.296 54.111 54.000 -0.308 0.000 0.879 324 D CB 0.856 41.609 40.800 -0.079 0.000 1.057 324 D HN 0.821 nan 8.370 nan 0.000 0.491 325 Q N 1.582 121.073 119.800 -0.514 0.000 2.204 325 Q HA 0.026 4.371 4.340 0.008 0.000 0.209 325 Q C 1.695 177.471 176.000 -0.374 0.000 0.861 325 Q CA -0.198 55.293 55.803 -0.519 0.000 0.971 325 Q CB 0.441 28.878 28.738 -0.501 0.000 1.095 325 Q HN 0.470 nan 8.270 nan 0.000 0.486 326 S N 0.605 116.227 115.700 -0.131 0.000 2.419 326 S HA -0.223 4.251 4.470 0.008 0.000 0.235 326 S C 1.771 176.388 174.600 0.028 0.000 1.019 326 S CA 0.972 59.139 58.200 -0.054 0.000 0.982 326 S CB -0.769 62.435 63.200 0.006 0.000 0.789 326 S HN 0.629 nan 8.310 nan 0.000 0.490 327 F N 2.453 122.472 119.950 0.116 0.000 2.192 327 F HA -0.026 4.506 4.527 0.008 0.000 0.301 327 F C 2.056 178.031 175.800 0.290 0.000 1.079 327 F CA 1.340 59.513 58.000 0.288 0.000 1.303 327 F CB -0.728 38.593 39.000 0.535 0.000 1.024 327 F HN 0.074 nan 8.300 nan 0.000 0.494 328 E N 1.055 120.875 120.200 -0.633 0.000 2.153 328 E HA -0.154 4.200 4.350 0.008 0.000 0.194 328 E C 2.181 178.724 176.600 -0.095 0.000 0.988 328 E CA 1.525 57.653 56.400 -0.453 0.000 0.811 328 E CB -0.512 28.853 29.700 -0.558 0.000 0.746 328 E HN 0.649 nan 8.360 nan 0.000 0.466 329 S N 0.079 115.746 115.700 -0.054 0.000 2.634 329 S HA 0.150 4.624 4.470 0.008 0.000 0.221 329 S C 0.787 175.430 174.600 0.071 0.000 0.952 329 S CA -0.337 57.865 58.200 0.004 0.000 0.930 329 S CB 0.208 63.392 63.200 -0.027 0.000 0.780 329 S HN -0.020 nan 8.310 nan 0.000 0.498 330 R N 1.513 122.109 120.500 0.159 0.000 2.407 330 R HA 0.356 4.701 4.340 0.008 0.000 0.303 330 R C -1.547 174.904 176.300 0.253 0.000 0.981 330 R CA -0.448 55.755 56.100 0.173 0.000 0.905 330 R CB 0.616 31.033 30.300 0.195 0.000 1.099 330 R HN 0.134 nan 8.270 nan 0.000 0.459 331 D N 5.483 125.965 120.400 0.136 0.000 2.329 331 D HA 0.289 4.933 4.640 0.008 0.000 0.232 331 D C -0.345 175.960 176.300 0.009 0.000 1.088 331 D CA -0.088 54.002 54.000 0.149 0.000 0.835 331 D CB 1.366 42.222 40.800 0.094 0.000 1.078 331 D HN 0.323 nan 8.370 nan 0.000 0.495 332 L N 1.052 122.251 121.223 -0.039 0.000 2.283 332 L HA 0.515 4.860 4.340 0.008 0.000 0.259 332 L C 0.204 176.988 176.870 -0.143 0.000 1.027 332 L CA -1.123 53.499 54.840 -0.362 0.000 0.828 332 L CB 1.608 42.980 42.059 -1.146 0.000 1.380 332 L HN 0.045 nan 8.230 nan 0.000 0.425 333 L N 0.745 121.862 121.223 -0.177 0.000 2.456 333 L HA 0.261 4.606 4.340 0.008 0.000 0.257 333 L C 1.292 178.186 176.870 0.039 0.000 1.162 333 L CA -0.272 54.550 54.840 -0.030 0.000 0.808 333 L CB 0.846 42.873 42.059 -0.053 0.000 1.136 333 L HN 0.570 nan 8.230 nan 0.000 0.466 334 I N 0.466 121.123 120.570 0.145 0.000 2.118 334 I HA -0.306 3.868 4.170 0.008 0.000 0.241 334 I C 1.699 177.873 176.117 0.094 0.000 1.070 334 I CA 1.474 62.902 61.300 0.213 0.000 1.327 334 I CB -0.172 37.923 38.000 0.158 0.000 1.034 334 I HN 0.734 nan 8.210 nan 0.000 0.405 335 D N 0.418 120.812 120.400 -0.010 0.000 2.263 335 D HA -0.149 4.496 4.640 0.008 0.000 0.208 335 D C 2.083 178.319 176.300 -0.107 0.000 0.971 335 D CA 0.976 54.927 54.000 -0.081 0.000 0.867 335 D CB -0.128 40.626 40.800 -0.077 0.000 0.929 335 D HN 0.479 nan 8.370 nan 0.000 0.492 336 E N -0.541 119.572 120.200 -0.144 0.000 2.076 336 E HA -0.112 4.243 4.350 0.008 0.000 0.190 336 E C 2.083 178.524 176.600 -0.266 0.000 0.979 336 E CA 0.492 56.743 56.400 -0.248 0.000 0.807 336 E CB -0.162 29.319 29.700 -0.366 0.000 0.761 336 E HN 0.399 nan 8.360 nan 0.000 0.454 337 W N 1.950 123.191 121.300 -0.098 0.000 2.338 337 W HA -0.160 4.505 4.660 0.008 0.000 0.304 337 W C 2.495 178.976 176.519 -0.063 0.000 1.212 337 W CA 0.737 58.020 57.345 -0.103 0.000 1.264 337 W CB -0.017 29.466 29.460 0.038 0.000 1.142 337 W HN 0.012 nan 8.180 nan 0.000 0.512 338 K N 0.331 120.760 120.400 0.049 0.000 2.009 338 K HA -0.259 4.066 4.320 0.008 0.000 0.210 338 K C 2.347 178.955 176.600 0.012 0.000 1.049 338 K CA 1.948 58.035 56.287 -0.334 0.000 0.929 338 K CB -0.633 31.468 32.500 -0.666 0.000 0.714 338 K HN 0.031 nan 8.250 nan 0.000 0.440 339 S N 0.226 115.918 115.700 -0.013 0.000 2.368 339 S HA -0.117 4.358 4.470 0.008 0.000 0.225 339 S C 1.975 176.631 174.600 0.094 0.000 1.030 339 S CA 0.870 59.096 58.200 0.043 0.000 0.999 339 S CB -0.242 62.942 63.200 -0.028 0.000 0.844 339 S HN 0.274 nan 8.310 nan 0.000 0.459 340 L N 1.705 122.936 121.223 0.013 0.000 2.013 340 L HA -0.095 4.250 4.340 0.008 0.000 0.212 340 L C 2.780 179.798 176.870 0.246 0.000 1.073 340 L CA 2.264 57.103 54.840 -0.002 0.000 0.753 340 L CB -1.691 40.132 42.059 -0.393 0.000 0.890 340 L HN 0.339 nan 8.230 nan 0.000 0.432 341 T N -2.095 112.685 114.554 0.378 0.000 2.746 341 T HA -0.259 4.096 4.350 0.008 0.000 0.267 341 T C 1.762 176.688 174.700 0.377 0.000 1.039 341 T CA 1.519 63.947 62.100 0.546 0.000 1.142 341 T CB -0.506 68.809 68.868 0.745 0.000 0.866 341 T HN 0.269 nan 8.240 nan 0.000 0.444 342 Y N 2.389 122.760 120.300 0.119 0.000 2.165 342 Y HA -0.189 4.365 4.550 0.007 0.000 0.286 342 Y C 2.041 177.857 175.900 -0.140 0.000 1.155 342 Y CA 1.359 59.269 58.100 -0.317 0.000 1.164 342 Y CB -0.505 37.708 38.460 -0.412 0.000 0.978 342 Y HN 0.154 nan 8.280 nan 0.000 0.513 343 D N -0.097 120.306 120.400 0.005 0.000 2.123 343 D HA -0.169 4.476 4.640 0.008 0.000 0.196 343 D C 2.026 178.318 176.300 -0.013 0.000 0.992 343 D CA 1.501 55.484 54.000 -0.028 0.000 0.833 343 D CB -0.164 40.672 40.800 0.061 0.000 0.954 343 D HN 0.440 nan 8.370 nan 0.000 0.455 344 E N 0.341 120.588 120.200 0.077 0.000 2.106 344 E HA -0.074 4.281 4.350 0.008 0.000 0.192 344 E C 2.447 179.089 176.600 0.069 0.000 0.984 344 E CA 0.217 56.678 56.400 0.101 0.000 0.806 344 E CB -0.191 29.598 29.700 0.148 0.000 0.750 344 E HN 0.175 nan 8.360 nan 0.000 0.458 345 V N 1.978 121.888 119.914 -0.005 0.000 2.261 345 V HA -0.236 3.889 4.120 0.008 0.000 0.246 345 V C 2.430 178.498 176.094 -0.042 0.000 1.047 345 V CA 1.234 63.514 62.300 -0.033 0.000 1.015 345 V CB -0.384 31.366 31.823 -0.122 0.000 0.642 345 V HN 0.217 nan 8.190 nan 0.000 0.446 346 I N 1.334 121.772 120.570 -0.220 0.000 2.286 346 I HA -0.180 3.994 4.170 0.008 0.000 0.248 346 I C 2.516 178.607 176.117 -0.044 0.000 1.115 346 I CA 2.296 63.477 61.300 -0.198 0.000 1.392 346 I CB -1.132 36.653 38.000 -0.358 0.000 1.065 346 I HN 0.563 nan 8.210 nan 0.000 0.418 347 S N 0.017 115.713 115.700 -0.006 0.000 2.603 347 S HA -0.056 4.419 4.470 0.008 0.000 0.220 347 S C 0.734 175.378 174.600 0.072 0.000 0.967 347 S CA -0.415 57.803 58.200 0.029 0.000 0.920 347 S CB -0.891 62.328 63.200 0.032 0.000 0.773 347 S HN 0.232 nan 8.310 nan 0.000 0.529 348 F N 2.846 122.790 119.950 -0.011 0.000 2.578 348 F HA 0.418 4.950 4.527 0.008 0.000 0.376 348 F C -0.367 175.440 175.800 0.012 0.000 1.085 348 F CA -0.387 57.619 58.000 0.010 0.000 1.260 348 F CB 0.650 39.664 39.000 0.024 0.000 1.095 348 F HN -0.073 nan 8.300 nan 0.000 0.573 349 V N 8.447 127.849 119.914 -0.853 0.000 2.409 349 V HA 0.354 4.479 4.120 0.008 0.000 0.291 349 V C -1.952 173.485 176.094 -1.096 0.000 1.020 349 V CA -1.669 60.232 62.300 -0.666 0.000 0.848 349 V CB 1.414 33.038 31.823 -0.331 0.000 0.990 349 V HN 0.689 nan 8.190 nan 0.000 0.430 350 P HA 0.305 nan 4.420 nan 0.000 0.272 350 P C -2.575 174.610 177.300 -0.191 0.000 1.230 350 P CA -1.223 61.670 63.100 -0.345 0.000 0.788 350 P CB -0.065 31.657 31.700 0.037 0.000 0.949 351 P HA 0.243 nan 4.420 nan 0.000 0.274 351 P C -2.242 175.048 177.300 -0.016 0.000 1.237 351 P CA -1.211 61.872 63.100 -0.028 0.000 0.793 351 P CB -1.014 30.707 31.700 0.034 0.000 0.977 352 P HA 0.198 nan 4.420 nan 0.000 0.275 352 P C -0.784 176.522 177.300 0.010 0.000 1.228 352 P CA -0.389 62.705 63.100 -0.009 0.000 0.786 352 P CB 0.533 32.224 31.700 -0.014 0.000 0.927 353 L N 2.581 123.810 121.223 0.010 0.000 2.288 353 L HA 0.227 4.571 4.340 0.008 0.000 0.283 353 L C 0.311 177.191 176.870 0.016 0.000 1.072 353 L CA 0.353 55.206 54.840 0.022 0.000 0.862 353 L CB -0.222 41.846 42.059 0.016 0.000 1.245 353 L HN 0.158 nan 8.230 nan 0.000 0.432 354 D N 3.076 123.488 120.400 0.019 0.000 2.348 354 D HA 0.255 4.900 4.640 0.008 0.000 0.211 354 D C 0.819 177.129 176.300 0.015 0.000 0.998 354 D CA 1.301 55.308 54.000 0.011 0.000 0.873 354 D CB 0.486 41.289 40.800 0.005 0.000 0.925 354 D HN 0.650 nan 8.370 nan 0.000 0.524 355 Q N 0.000 119.815 119.800 0.025 0.000 2.315 355 Q HA 0.000 4.345 4.340 0.008 0.000 0.214 355 Q CA 0.000 nan 55.803 nan 0.000 1.022 355 Q CB 0.000 nan 28.738 nan 0.000 1.108 355 Q HN 0.000 nan 8.270 nan 0.000 0.481