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 3gc7_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 SNLAVNEDSE LKILDFGLAR HTDDEMTGYV ATRWYRAPEI MLNWMHYNQT DATA SEQUENCE VDIWSVGCIM AELLTGRTLF PGTDHIDQLK LILRLVGTPG AELLKKISSE DATA SEQUENCE SARNYIQSLT QMPKMNFANV FIGANPLAVD LLEKMLVLDS DKRITAAQAL DATA SEQUENCE AHAYFAQYHD PDDEPVADPY DQSFESRDLL IDEWKSLTYD EVISFVPPP 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 0.000 176.632 176.600 0.054 0.000 1.382 4 E CA 0.000 56.421 56.400 0.035 0.000 0.976 4 E CB 0.000 29.715 29.700 0.025 0.000 0.812 5 R N 2.843 123.390 120.500 0.078 0.000 2.449 5 R HA 0.223 4.571 4.340 0.013 0.000 0.296 5 R C -1.666 174.701 176.300 0.112 0.000 1.047 5 R CA -0.811 55.368 56.100 0.131 0.000 1.018 5 R CB 0.456 30.849 30.300 0.155 0.000 0.962 5 R HN 0.066 nan 8.270 nan 0.000 0.428 6 P HA 0.055 nan 4.420 nan 0.000 0.273 6 P C -0.739 176.595 177.300 0.057 0.000 1.250 6 P CA -0.272 62.807 63.100 -0.034 0.000 0.793 6 P CB 0.509 32.061 31.700 -0.246 0.000 1.011 7 T N 1.277 115.832 114.554 0.001 0.000 2.832 7 T HA 0.336 4.694 4.350 0.013 0.000 0.296 7 T C -0.099 174.636 174.700 0.059 0.000 0.968 7 T CA 0.284 62.442 62.100 0.097 0.000 1.107 7 T CB -0.308 68.591 68.868 0.053 0.000 0.916 7 T HN 0.105 nan 8.240 nan 0.000 0.517 8 F N 2.983 122.952 119.950 0.031 0.000 2.425 8 F HA 0.554 5.089 4.527 0.013 0.000 0.331 8 F C 0.073 175.958 175.800 0.141 0.000 1.085 8 F CA -1.126 56.895 58.000 0.035 0.000 1.028 8 F CB 1.007 39.994 39.000 -0.022 0.000 1.177 8 F HN 0.559 nan 8.300 nan 0.000 0.487 9 Y N -0.315 120.067 120.300 0.137 0.000 2.570 9 Y HA 0.846 5.404 4.550 0.013 0.000 0.345 9 Y C -1.138 174.849 175.900 0.145 0.000 1.014 9 Y CA -1.947 56.221 58.100 0.114 0.000 1.063 9 Y CB 1.230 39.725 38.460 0.058 0.000 1.272 9 Y HN 0.528 nan 8.280 nan 0.000 0.477 10 R N 2.220 122.789 120.500 0.114 0.000 2.589 10 R HA 0.550 4.898 4.340 0.013 0.000 0.293 10 R C -1.182 175.177 176.300 0.100 0.000 0.963 10 R CA -0.973 55.161 56.100 0.057 0.000 0.905 10 R CB 2.020 32.384 30.300 0.107 0.000 1.144 10 R HN 0.903 nan 8.270 nan 0.000 0.459 11 Q N 0.535 120.393 119.800 0.097 0.000 2.435 11 Q HA 0.338 4.686 4.340 0.013 0.000 0.282 11 Q C -1.467 174.643 176.000 0.184 0.000 1.020 11 Q CA -1.019 54.867 55.803 0.138 0.000 0.820 11 Q CB 2.222 31.039 28.738 0.132 0.000 1.436 11 Q HN 0.528 nan 8.270 nan 0.000 0.395 12 E N 1.993 122.286 120.200 0.155 0.000 2.156 12 E HA 0.510 4.868 4.350 0.013 0.000 0.279 12 E C -1.469 175.227 176.600 0.160 0.000 0.965 12 E CA -0.660 55.844 56.400 0.174 0.000 0.789 12 E CB 1.047 30.817 29.700 0.116 0.000 1.098 12 E HN 0.543 nan 8.360 nan 0.000 0.397 13 L N 4.528 125.888 121.223 0.227 0.000 2.404 13 L HA 0.337 4.684 4.340 0.013 0.000 0.272 13 L C -0.570 176.399 176.870 0.166 0.000 0.980 13 L CA -0.924 54.000 54.840 0.140 0.000 0.836 13 L CB 1.562 43.625 42.059 0.006 0.000 1.238 13 L HN 0.573 nan 8.230 nan 0.000 0.408 14 N N 2.890 121.650 118.700 0.099 0.000 2.686 14 N HA -0.305 4.443 4.740 0.013 0.000 0.261 14 N C 0.813 176.373 175.510 0.083 0.000 1.001 14 N CA 1.490 54.588 53.050 0.081 0.000 0.764 14 N CB -0.739 37.794 38.487 0.076 0.000 0.898 14 N HN 0.866 nan 8.380 nan 0.000 0.544 15 K N -3.438 117.008 120.400 0.076 0.000 3.472 15 K HA -0.263 4.064 4.320 0.013 0.000 0.315 15 K C 0.479 177.110 176.600 0.051 0.000 1.320 15 K CA 2.137 58.456 56.287 0.053 0.000 0.962 15 K CB -2.292 30.223 32.500 0.025 0.000 1.251 15 K HN 1.060 nan 8.250 nan 0.000 0.443 16 T N -0.412 114.205 114.554 0.105 0.000 2.797 16 T HA 0.702 5.060 4.350 0.013 0.000 0.279 16 T C -0.046 174.744 174.700 0.149 0.000 0.991 16 T CA -0.484 61.653 62.100 0.062 0.000 0.979 16 T CB 0.562 69.430 68.868 -0.000 0.000 0.943 16 T HN 0.469 nan 8.240 nan 0.000 0.444 17 I N 4.868 125.465 120.570 0.045 0.000 2.416 17 I HA 0.278 4.456 4.170 0.013 0.000 0.288 17 I C -0.623 175.549 176.117 0.093 0.000 1.051 17 I CA -0.426 60.942 61.300 0.113 0.000 1.375 17 I CB 0.635 38.676 38.000 0.067 0.000 1.407 17 I HN 0.623 nan 8.210 nan 0.000 0.516 18 W N 5.742 127.105 121.300 0.106 0.000 2.376 18 W HA 0.415 5.082 4.660 0.013 0.000 0.312 18 W C 0.090 176.639 176.519 0.051 0.000 1.060 18 W CA -0.519 56.931 57.345 0.176 0.000 1.221 18 W CB 0.960 30.493 29.460 0.122 0.000 1.281 18 W HN 0.369 nan 8.180 nan 0.000 0.456 19 E N 3.481 123.825 120.200 0.239 0.000 2.102 19 E HA 0.489 4.847 4.350 0.013 0.000 0.263 19 E C -1.074 175.574 176.600 0.081 0.000 0.894 19 E CA -0.558 55.913 56.400 0.117 0.000 0.746 19 E CB 0.943 30.734 29.700 0.150 0.000 1.129 19 E HN 0.358 nan 8.360 nan 0.000 0.416 20 V N 1.455 121.322 119.914 -0.079 0.000 2.962 20 V HA 0.710 4.838 4.120 0.013 0.000 0.313 20 V C -2.796 172.907 176.094 -0.650 0.000 1.099 20 V CA -2.914 59.168 62.300 -0.364 0.000 0.971 20 V CB 1.665 33.382 31.823 -0.178 0.000 1.028 20 V HN 0.508 nan 8.190 nan 0.000 0.430 21 P HA 0.167 nan 4.420 nan 0.000 0.266 21 P C 0.665 177.810 177.300 -0.259 0.000 1.195 21 P CA 0.302 62.855 63.100 -0.911 0.000 0.768 21 P CB 0.402 31.559 31.700 -0.904 0.000 0.838 22 E N 2.853 122.983 120.200 -0.116 0.000 2.187 22 E HA -0.308 4.050 4.350 0.013 0.000 0.199 22 E C 1.871 178.395 176.600 -0.126 0.000 1.004 22 E CA 1.148 57.534 56.400 -0.022 0.000 0.813 22 E CB -0.203 29.430 29.700 -0.112 0.000 0.736 22 E HN 0.521 nan 8.360 nan 0.000 0.468 23 R N 0.580 120.893 120.500 -0.311 0.000 2.139 23 R HA -0.162 4.185 4.340 0.013 0.000 0.243 23 R C 0.205 176.253 176.300 -0.420 0.000 1.145 23 R CA 1.073 56.910 56.100 -0.439 0.000 0.976 23 R CB -0.638 29.266 30.300 -0.660 0.000 0.866 23 R HN 0.109 nan 8.270 nan 0.000 0.449 24 Y N 2.099 122.373 120.300 -0.044 0.000 2.404 24 Y HA 0.298 4.855 4.550 0.013 0.000 0.344 24 Y C 0.410 176.391 175.900 0.135 0.000 0.995 24 Y CA -0.523 57.585 58.100 0.013 0.000 1.201 24 Y CB 0.864 39.319 38.460 -0.009 0.000 1.151 24 Y HN 0.028 nan 8.280 nan 0.000 0.517 25 Q N 1.116 121.072 119.800 0.260 0.000 2.496 25 Q HA 0.333 4.681 4.340 0.013 0.000 0.286 25 Q C -0.205 175.922 176.000 0.210 0.000 1.103 25 Q CA -1.178 54.763 55.803 0.228 0.000 0.813 25 Q CB 1.650 30.486 28.738 0.164 0.000 1.444 25 Q HN 0.781 nan 8.270 nan 0.000 0.443 26 N N -0.180 118.609 118.700 0.148 0.000 2.738 26 N HA -0.223 4.525 4.740 0.013 0.000 0.249 26 N C -0.911 174.633 175.510 0.058 0.000 1.047 26 N CA -0.134 52.971 53.050 0.092 0.000 0.707 26 N CB -1.166 37.369 38.487 0.080 0.000 0.937 26 N HN 0.240 nan 8.380 nan 0.000 0.545 27 L N 1.064 122.306 121.223 0.032 0.000 2.499 27 L HA 0.190 4.538 4.340 0.013 0.000 0.273 27 L C 0.609 177.408 176.870 -0.119 0.000 1.195 27 L CA 0.769 55.553 54.840 -0.094 0.000 0.882 27 L CB 0.869 42.810 42.059 -0.197 0.000 1.133 27 L HN 0.323 nan 8.230 nan 0.000 0.483 28 S N 3.826 119.437 115.700 -0.148 0.000 2.619 28 S HA 0.667 5.145 4.470 0.013 0.000 0.280 28 S C -2.874 171.644 174.600 -0.136 0.000 1.150 28 S CA -1.550 56.583 58.200 -0.112 0.000 0.978 28 S CB 1.896 65.067 63.200 -0.048 0.000 1.041 28 S HN 0.309 nan 8.310 nan 0.000 0.485 29 P HA 0.105 nan 4.420 nan 0.000 0.268 29 P C 0.950 178.244 177.300 -0.010 0.000 1.205 29 P CA -0.349 62.711 63.100 -0.066 0.000 0.771 29 P CB 1.100 32.797 31.700 -0.005 0.000 0.858 30 V N 0.941 120.872 119.914 0.028 0.000 3.151 30 V HA 0.588 4.716 4.120 0.013 0.000 0.241 30 V C 0.465 176.611 176.094 0.087 0.000 1.173 30 V CA 1.261 63.590 62.300 0.049 0.000 1.154 30 V CB 0.021 31.870 31.823 0.045 0.000 0.898 30 V HN 0.746 nan 8.190 nan 0.000 0.473 31 G N -0.763 108.118 108.800 0.136 0.000 2.368 31 G HA2 0.565 4.533 3.960 0.013 0.000 0.293 31 G HA3 0.565 4.533 3.960 0.013 0.000 0.293 31 G C -1.467 173.558 174.900 0.209 0.000 1.467 31 G CA 0.131 45.337 45.100 0.176 0.000 0.804 31 G HN 0.483 nan 8.290 nan 0.000 0.535 32 S N -1.565 114.208 115.700 0.122 0.000 2.588 32 S HA 0.987 5.465 4.470 0.013 0.000 0.275 32 S C 0.209 174.639 174.600 -0.282 0.000 1.130 32 S CA -0.027 58.091 58.200 -0.136 0.000 0.855 32 S CB 1.991 65.133 63.200 -0.097 0.000 1.116 32 S HN 1.998 nan 8.310 nan 0.000 0.472 33 G N 0.061 108.398 108.800 -0.772 0.000 2.500 33 G HA2 0.575 4.543 3.960 0.013 0.000 0.299 33 G HA3 0.575 4.543 3.960 0.013 0.000 0.299 33 G C 0.340 174.928 174.900 -0.520 0.000 1.242 33 G CA 0.034 44.846 45.100 -0.479 0.000 0.859 33 G HN 0.847 nan 8.290 nan 0.000 0.481 34 A N -0.931 121.752 122.820 -0.228 0.000 2.015 34 A HA 0.122 4.450 4.320 0.013 0.000 0.219 34 A C 2.023 179.512 177.584 -0.159 0.000 1.163 34 A CA 2.281 54.223 52.037 -0.158 0.000 0.646 34 A CB -1.008 17.967 19.000 -0.042 0.000 0.806 34 A HN 1.271 nan 8.150 nan 0.000 0.448 35 Y N -1.984 118.267 120.300 -0.081 0.000 2.421 35 Y HA 0.343 4.901 4.550 0.013 0.000 0.292 35 Y C 1.129 176.953 175.900 -0.127 0.000 1.136 35 Y CA -0.052 57.992 58.100 -0.094 0.000 1.255 35 Y CB -0.714 37.704 38.460 -0.070 0.000 0.991 35 Y HN 0.568 nan 8.280 nan 0.000 0.552 36 G N -0.291 108.175 108.800 -0.558 0.000 2.297 36 G HA2 0.138 4.106 3.960 0.013 0.000 0.209 36 G HA3 0.138 4.106 3.960 0.013 0.000 0.209 36 G C -1.182 173.393 174.900 -0.541 0.000 1.267 36 G CA -0.486 44.349 45.100 -0.443 0.000 1.127 36 G HN 0.429 nan 8.290 nan 0.000 0.498 37 S N -1.182 114.383 115.700 -0.225 0.000 2.536 37 S HA 0.770 5.248 4.470 0.013 0.000 0.287 37 S C -0.582 174.225 174.600 0.345 0.000 1.101 37 S CA -0.542 57.680 58.200 0.037 0.000 0.950 37 S CB 2.179 65.436 63.200 0.095 0.000 1.056 37 S HN 1.247 nan 8.310 nan 0.000 0.481 38 V N 1.787 121.954 119.914 0.421 0.000 2.604 38 V HA 0.662 4.790 4.120 0.013 0.000 0.305 38 V C 0.019 176.234 176.094 0.201 0.000 1.043 38 V CA -0.779 61.742 62.300 0.368 0.000 0.888 38 V CB 1.252 33.225 31.823 0.251 0.000 0.995 38 V HN 1.199 nan 8.190 nan 0.000 0.429 39 C N 2.585 121.884 119.300 -0.002 0.000 2.779 39 C HA 1.003 5.471 4.460 0.013 0.000 0.314 39 C C 0.263 175.178 174.990 -0.125 0.000 1.231 39 C CA -0.825 58.050 59.018 -0.239 0.000 1.652 39 C CB 1.075 28.369 27.740 -0.744 0.000 2.198 39 C HN 1.138 nan 8.230 nan 0.000 0.483 40 A N 1.189 123.952 122.820 -0.095 0.000 2.303 40 A HA 0.961 5.289 4.320 0.013 0.000 0.317 40 A C 0.103 177.669 177.584 -0.030 0.000 1.149 40 A CA 0.267 52.285 52.037 -0.030 0.000 0.822 40 A CB 0.658 19.662 19.000 0.006 0.000 1.131 40 A HN 2.484 nan 8.150 nan 0.000 0.493 41 A N 0.394 123.238 122.820 0.040 0.000 2.588 41 A HA 0.741 5.068 4.320 0.013 0.000 0.290 41 A C -1.618 176.104 177.584 0.231 0.000 1.136 41 A CA -0.432 51.671 52.037 0.109 0.000 0.681 41 A CB 0.799 19.853 19.000 0.089 0.000 1.282 41 A HN 1.493 nan 8.150 nan 0.000 0.421 42 F N 1.190 121.199 119.950 0.098 0.000 2.449 42 F HA 0.536 5.071 4.527 0.014 0.000 0.342 42 F C -0.469 175.411 175.800 0.134 0.000 1.127 42 F CA -0.914 57.143 58.000 0.094 0.000 0.975 42 F CB 1.486 40.517 39.000 0.051 0.000 1.146 42 F HN 0.527 nan 8.300 nan 0.000 0.444 43 D N 3.968 124.089 120.400 -0.464 0.000 2.393 43 D HA 0.092 4.740 4.640 0.013 0.000 0.232 43 D C 1.249 177.085 176.300 -0.774 0.000 1.192 43 D CA 0.129 53.876 54.000 -0.423 0.000 0.882 43 D CB 1.067 41.772 40.800 -0.160 0.000 1.038 43 D HN 0.678 nan 8.370 nan 0.000 0.499 44 T N 1.115 115.350 114.554 -0.531 0.000 2.962 44 T HA -0.165 4.193 4.350 0.013 0.000 0.270 44 T C 1.690 176.233 174.700 -0.261 0.000 1.088 44 T CA 0.875 62.772 62.100 -0.339 0.000 1.127 44 T CB 0.033 68.848 68.868 -0.088 0.000 0.883 44 T HN 0.326 nan 8.240 nan 0.000 0.493 45 K N 1.354 121.579 120.400 -0.293 0.000 2.103 45 K HA -0.053 4.275 4.320 0.013 0.000 0.204 45 K C 2.291 178.796 176.600 -0.158 0.000 1.052 45 K CA 1.604 57.768 56.287 -0.205 0.000 0.945 45 K CB -0.064 32.303 32.500 -0.222 0.000 0.722 45 K HN 0.598 nan 8.250 nan 0.000 0.443 46 T N -4.643 109.795 114.554 -0.194 0.000 2.990 46 T HA 0.230 4.588 4.350 0.013 0.000 0.250 46 T C 1.235 175.864 174.700 -0.118 0.000 1.041 46 T CA 0.323 62.350 62.100 -0.121 0.000 1.010 46 T CB 0.726 69.541 68.868 -0.088 0.000 1.003 46 T HN 0.277 nan 8.240 nan 0.000 0.499 47 G N 1.644 110.293 108.800 -0.251 0.000 2.148 47 G HA2 -0.212 3.756 3.960 0.013 0.000 0.254 47 G HA3 -0.212 3.756 3.960 0.013 0.000 0.254 47 G C -0.098 174.750 174.900 -0.088 0.000 0.981 47 G CA 0.288 45.286 45.100 -0.169 0.000 0.670 47 G HN 0.639 nan 8.290 nan 0.000 0.528 48 L N 0.643 121.752 121.223 -0.190 0.000 2.334 48 L HA 0.531 4.879 4.340 0.013 0.000 0.277 48 L C 0.925 177.803 176.870 0.013 0.000 1.075 48 L CA -1.177 53.654 54.840 -0.014 0.000 0.804 48 L CB 0.795 42.850 42.059 -0.006 0.000 1.174 48 L HN -0.019 nan 8.230 nan 0.000 0.438 49 R N 2.599 123.217 120.500 0.197 0.000 2.347 49 R HA 0.355 4.702 4.340 0.013 0.000 0.304 49 R C -0.482 175.898 176.300 0.134 0.000 1.072 49 R CA -0.231 56.008 56.100 0.231 0.000 0.980 49 R CB 0.919 31.353 30.300 0.223 0.000 0.986 49 R HN 0.503 nan 8.270 nan 0.000 0.448 50 V N -1.070 118.909 119.914 0.109 0.000 2.960 50 V HA 0.944 5.072 4.120 0.013 0.000 0.315 50 V C -0.403 175.716 176.094 0.041 0.000 1.087 50 V CA -1.282 61.051 62.300 0.054 0.000 0.982 50 V CB 2.193 34.035 31.823 0.031 0.000 1.039 50 V HN 0.735 nan 8.190 nan 0.000 0.437 51 A N 2.165 124.999 122.820 0.023 0.000 2.331 51 A HA 0.880 5.208 4.320 0.013 0.000 0.320 51 A C -0.768 176.823 177.584 0.011 0.000 1.138 51 A CA -0.667 51.383 52.037 0.023 0.000 0.790 51 A CB 1.620 20.646 19.000 0.042 0.000 1.206 51 A HN 1.391 nan 8.150 nan 0.000 0.470 52 V N 2.582 122.520 119.914 0.040 0.000 2.487 52 V HA 0.453 4.581 4.120 0.013 0.000 0.298 52 V C 0.016 176.272 176.094 0.269 0.000 1.028 52 V CA -0.722 61.648 62.300 0.116 0.000 0.860 52 V CB 1.654 33.585 31.823 0.180 0.000 0.991 52 V HN 0.877 nan 8.190 nan 0.000 0.427 53 K N 4.100 124.594 120.400 0.155 0.000 2.265 53 K HA 0.427 4.755 4.320 0.013 0.000 0.267 53 K C -0.545 175.996 176.600 -0.099 0.000 0.994 53 K CA -0.671 55.684 56.287 0.113 0.000 0.860 53 K CB 1.223 33.748 32.500 0.040 0.000 1.099 53 K HN 0.670 nan 8.250 nan 0.000 0.448 54 K N 6.280 126.499 120.400 -0.301 0.000 2.253 54 K HA 0.229 4.557 4.320 0.013 0.000 0.277 54 K C -0.697 175.556 176.600 -0.578 0.000 1.053 54 K CA -0.492 55.306 56.287 -0.815 0.000 0.892 54 K CB 0.553 32.186 32.500 -1.447 0.000 1.102 54 K HN 0.564 nan 8.250 nan 0.000 0.469 55 L N 3.731 124.626 121.223 -0.547 0.000 2.261 55 L HA 0.214 4.562 4.340 0.013 0.000 0.289 55 L C -0.119 176.447 176.870 -0.507 0.000 1.059 55 L CA -0.428 54.145 54.840 -0.446 0.000 0.816 55 L CB 1.323 43.157 42.059 -0.375 0.000 1.191 55 L HN 0.578 nan 8.230 nan 0.000 0.431 56 S N 2.525 117.953 115.700 -0.453 0.000 2.578 56 S HA 0.416 4.894 4.470 0.013 0.000 0.283 56 S C 0.156 174.538 174.600 -0.363 0.000 1.195 56 S CA -0.790 57.169 58.200 -0.403 0.000 1.050 56 S CB 1.302 64.286 63.200 -0.360 0.000 1.012 56 S HN 0.606 nan 8.310 nan 0.000 0.511 57 R N 0.811 121.119 120.500 -0.319 0.000 3.038 57 R HA -0.138 4.210 4.340 0.013 0.000 0.242 57 R C -2.133 173.936 176.300 -0.386 0.000 0.866 57 R CA 0.298 56.223 56.100 -0.293 0.000 0.601 57 R CB -1.229 28.931 30.300 -0.233 0.000 1.107 57 R HN 0.489 nan 8.270 nan 0.000 0.492 58 P HA -0.083 nan 4.420 nan 0.000 0.241 58 P C 0.065 176.850 177.300 -0.858 0.000 1.191 58 P CA 1.025 63.648 63.100 -0.795 0.000 0.771 58 P CB 0.281 31.304 31.700 -1.128 0.000 0.929 59 F N -0.065 119.820 119.950 -0.109 0.000 2.835 59 F HA 0.275 4.810 4.527 0.013 0.000 0.342 59 F C 1.949 177.735 175.800 -0.023 0.000 1.202 59 F CA -0.641 57.334 58.000 -0.043 0.000 1.240 59 F CB -0.485 38.475 39.000 -0.067 0.000 1.005 59 F HN -0.105 nan 8.300 nan 0.000 0.507 60 Q N 0.175 120.002 119.800 0.045 0.000 2.311 60 Q HA 0.080 4.428 4.340 0.013 0.000 0.203 60 Q C 0.606 176.664 176.000 0.096 0.000 0.954 60 Q CA 0.979 56.793 55.803 0.017 0.000 0.885 60 Q CB 0.216 28.883 28.738 -0.118 0.000 0.963 60 Q HN 0.311 nan 8.270 nan 0.000 0.471 61 S N -1.716 114.094 115.700 0.184 0.000 2.638 61 S HA 0.399 4.876 4.470 0.013 0.000 0.274 61 S C 0.562 175.258 174.600 0.159 0.000 1.157 61 S CA -0.904 57.401 58.200 0.176 0.000 0.826 61 S CB 0.554 63.887 63.200 0.221 0.000 1.139 61 S HN 0.152 nan 8.310 nan 0.000 0.474 62 I N 0.916 121.564 120.570 0.129 0.000 2.163 62 I HA -0.173 4.005 4.170 0.013 0.000 0.243 62 I C 1.906 178.036 176.117 0.023 0.000 1.085 62 I CA 1.243 62.637 61.300 0.156 0.000 1.347 62 I CB -0.333 37.768 38.000 0.169 0.000 1.044 62 I HN 0.602 nan 8.210 nan 0.000 0.408 63 I N 0.432 120.964 120.570 -0.064 0.000 2.163 63 I HA -0.303 3.875 4.170 0.013 0.000 0.243 63 I C 2.519 178.478 176.117 -0.264 0.000 1.085 63 I CA 2.029 63.204 61.300 -0.207 0.000 1.347 63 I CB -1.712 36.113 38.000 -0.293 0.000 1.044 63 I HN 0.322 nan 8.210 nan 0.000 0.408 64 H N 0.527 119.556 119.070 -0.069 0.000 2.357 64 H HA 0.016 4.580 4.556 0.013 0.000 0.301 64 H C 2.277 177.542 175.328 -0.104 0.000 1.082 64 H CA 1.422 57.410 56.048 -0.099 0.000 1.342 64 H CB -0.097 29.605 29.762 -0.100 0.000 1.389 64 H HN 0.337 nan 8.280 nan 0.000 0.511 65 A N 1.175 124.058 122.820 0.104 0.000 1.908 65 A HA -0.244 4.084 4.320 0.013 0.000 0.218 65 A C 2.146 179.725 177.584 -0.008 0.000 1.181 65 A CA 1.902 54.077 52.037 0.231 0.000 0.627 65 A CB -0.464 18.797 19.000 0.435 0.000 0.818 65 A HN 0.370 nan 8.150 nan 0.000 0.445 66 K N -0.617 119.518 120.400 -0.442 0.000 2.097 66 K HA -0.111 4.217 4.320 0.013 0.000 0.205 66 K C 2.285 178.693 176.600 -0.321 0.000 1.050 66 K CA 1.203 56.964 56.287 -0.876 0.000 0.938 66 K CB -0.150 31.678 32.500 -1.120 0.000 0.718 66 K HN 0.429 nan 8.250 nan 0.000 0.442 67 R N -0.306 120.075 120.500 -0.199 0.000 2.081 67 R HA -0.082 4.266 4.340 0.013 0.000 0.235 67 R C 2.259 178.510 176.300 -0.081 0.000 1.131 67 R CA 1.923 57.955 56.100 -0.113 0.000 0.960 67 R CB -0.340 29.898 30.300 -0.103 0.000 0.856 67 R HN 0.235 nan 8.270 nan 0.000 0.436 68 T N 0.167 114.678 114.554 -0.071 0.000 2.708 68 T HA -0.202 4.156 4.350 0.013 0.000 0.266 68 T C 1.424 176.143 174.700 0.032 0.000 1.037 68 T CA 1.420 63.479 62.100 -0.067 0.000 1.146 68 T CB -0.433 68.326 68.868 -0.182 0.000 0.865 68 T HN 0.291 nan 8.240 nan 0.000 0.435 69 Y N 2.310 122.594 120.300 -0.025 0.000 2.128 69 Y HA -0.152 4.406 4.550 0.013 0.000 0.284 69 Y C 2.690 178.482 175.900 -0.181 0.000 1.154 69 Y CA 1.589 59.658 58.100 -0.052 0.000 1.149 69 Y CB -0.327 38.115 38.460 -0.031 0.000 0.976 69 Y HN -0.016 nan 8.280 nan 0.000 0.505 70 R N 0.437 120.819 120.500 -0.197 0.000 2.096 70 R HA -0.258 4.090 4.340 0.013 0.000 0.240 70 R C 2.366 178.588 176.300 -0.130 0.000 1.139 70 R CA 2.176 58.219 56.100 -0.095 0.000 0.952 70 R CB -0.504 29.886 30.300 0.151 0.000 0.854 70 R HN 0.590 nan 8.270 nan 0.000 0.436 71 E N 0.039 120.162 120.200 -0.129 0.000 2.047 71 E HA -0.208 4.150 4.350 0.013 0.000 0.191 71 E C 2.049 178.558 176.600 -0.152 0.000 0.987 71 E CA 1.115 57.427 56.400 -0.148 0.000 0.799 71 E CB -0.103 29.519 29.700 -0.131 0.000 0.752 71 E HN 0.282 nan 8.360 nan 0.000 0.449 72 L N 1.387 122.524 121.223 -0.144 0.000 2.012 72 L HA -0.178 4.170 4.340 0.013 0.000 0.210 72 L C 2.284 179.079 176.870 -0.126 0.000 1.073 72 L CA 1.693 56.465 54.840 -0.114 0.000 0.748 72 L CB -0.449 41.578 42.059 -0.054 0.000 0.891 72 L HN 0.045 nan 8.230 nan 0.000 0.431 73 R N -0.384 119.958 120.500 -0.263 0.000 2.083 73 R HA -0.137 4.210 4.340 0.013 0.000 0.237 73 R C 2.313 178.648 176.300 0.058 0.000 1.137 73 R CA 1.879 57.887 56.100 -0.154 0.000 0.951 73 R CB -1.115 28.950 30.300 -0.391 0.000 0.851 73 R HN 0.423 nan 8.270 nan 0.000 0.434 74 L N 0.461 121.645 121.223 -0.065 0.000 1.994 74 L HA -0.166 4.182 4.340 0.013 0.000 0.208 74 L C 2.552 179.333 176.870 -0.148 0.000 1.071 74 L CA 1.179 55.871 54.840 -0.247 0.000 0.745 74 L CB -0.497 41.333 42.059 -0.383 0.000 0.892 74 L HN 0.108 nan 8.230 nan 0.000 0.431 75 L N -0.536 120.616 121.223 -0.118 0.000 2.083 75 L HA -0.222 4.126 4.340 0.013 0.000 0.209 75 L C 2.575 179.488 176.870 0.071 0.000 1.083 75 L CA 1.308 56.123 54.840 -0.041 0.000 0.752 75 L CB -0.460 41.562 42.059 -0.061 0.000 0.899 75 L HN 0.208 nan 8.230 nan 0.000 0.433 76 K N -1.089 119.373 120.400 0.103 0.000 2.211 76 K HA -0.211 4.117 4.320 0.013 0.000 0.203 76 K C 2.015 178.744 176.600 0.215 0.000 1.050 76 K CA 1.137 57.544 56.287 0.201 0.000 0.945 76 K CB -0.133 32.492 32.500 0.209 0.000 0.732 76 K HN 0.294 nan 8.250 nan 0.000 0.451 77 H N -0.221 118.919 119.070 0.117 0.000 2.436 77 H HA 0.089 4.653 4.556 0.013 0.000 0.294 77 H C 0.112 175.557 175.328 0.195 0.000 1.048 77 H CA 0.657 56.794 56.048 0.149 0.000 1.353 77 H CB 0.336 30.164 29.762 0.110 0.000 1.414 77 H HN -0.096 nan 8.280 nan 0.000 0.536 78 M N 1.882 121.630 119.600 0.246 0.000 2.156 78 M HA 0.159 4.647 4.480 0.013 0.000 0.345 78 M C -0.690 175.731 176.300 0.201 0.000 1.398 78 M CA 0.516 56.013 55.300 0.328 0.000 1.148 78 M CB 0.591 33.382 32.600 0.318 0.000 1.663 78 M HN 0.149 nan 8.290 nan 0.000 0.464 79 K N 3.237 123.737 120.400 0.167 0.000 2.646 79 K HA 0.365 4.693 4.320 0.013 0.000 0.210 79 K C -0.899 175.576 176.600 -0.208 0.000 1.020 79 K CA -0.399 55.904 56.287 0.026 0.000 1.040 79 K CB 1.378 33.918 32.500 0.068 0.000 1.253 79 K HN 0.568 nan 8.250 nan 0.000 0.532 80 H N 1.094 119.928 119.070 -0.394 0.000 3.085 80 H HA 0.099 4.662 4.556 0.012 0.000 0.356 80 H C -0.056 175.100 175.328 -0.286 0.000 1.178 80 H CA -0.321 55.403 56.048 -0.541 0.000 1.214 80 H CB 1.615 30.673 29.762 -1.174 0.000 1.881 80 H HN 0.451 nan 8.280 nan 0.000 0.538 81 E N 2.108 122.025 120.200 -0.473 0.000 2.160 81 E HA -0.168 4.190 4.350 0.013 0.000 0.195 81 E C 0.239 176.782 176.600 -0.095 0.000 0.991 81 E CA 1.424 57.672 56.400 -0.253 0.000 0.810 81 E CB 0.165 29.696 29.700 -0.283 0.000 0.742 81 E HN 0.496 nan 8.360 nan 0.000 0.466 82 N N -0.307 118.469 118.700 0.126 0.000 2.238 82 N HA 0.090 4.837 4.740 0.013 0.000 0.222 82 N C -1.279 174.214 175.510 -0.029 0.000 1.133 82 N CA -0.196 52.870 53.050 0.027 0.000 0.854 82 N CB 1.323 39.803 38.487 -0.012 0.000 1.041 82 N HN -0.164 nan 8.380 nan 0.000 0.510 83 V N 1.309 121.234 119.914 0.019 0.000 2.638 83 V HA 0.297 4.425 4.120 0.013 0.000 0.306 83 V C -0.253 175.903 176.094 0.103 0.000 1.052 83 V CA -0.960 61.353 62.300 0.022 0.000 0.885 83 V CB 2.248 34.085 31.823 0.024 0.000 0.999 83 V HN 0.101 nan 8.190 nan 0.000 0.424 84 I N 4.079 124.745 120.570 0.160 0.000 2.587 84 I HA 0.364 4.542 4.170 0.013 0.000 0.284 84 I C 0.963 177.191 176.117 0.184 0.000 1.134 84 I CA 1.106 62.510 61.300 0.172 0.000 1.410 84 I CB 0.487 38.581 38.000 0.156 0.000 1.392 84 I HN 0.834 nan 8.210 nan 0.000 0.545 85 G N 6.704 115.604 108.800 0.168 0.000 3.105 85 G HA2 0.667 4.635 3.960 0.013 0.000 0.277 85 G HA3 0.667 4.635 3.960 0.013 0.000 0.277 85 G C -1.090 173.881 174.900 0.120 0.000 1.375 85 G CA -0.764 44.423 45.100 0.146 0.000 0.962 85 G HN 0.401 nan 8.290 nan 0.000 0.541 86 L N 1.182 122.485 121.223 0.132 0.000 2.264 86 L HA 0.331 4.679 4.340 0.013 0.000 0.289 86 L C 1.107 178.084 176.870 0.179 0.000 1.044 86 L CA -0.508 54.388 54.840 0.093 0.000 0.807 86 L CB 1.630 43.712 42.059 0.039 0.000 1.192 86 L HN 0.429 nan 8.230 nan 0.000 0.425 87 L N 1.775 123.039 121.223 0.069 0.000 2.179 87 L HA 0.106 4.454 4.340 0.013 0.000 0.208 87 L C 0.196 177.202 176.870 0.226 0.000 1.096 87 L CA 0.931 55.839 54.840 0.113 0.000 0.779 87 L CB -0.015 42.020 42.059 -0.041 0.000 0.922 87 L HN 0.645 nan 8.230 nan 0.000 0.443 88 D N -2.069 118.319 120.400 -0.019 0.000 2.648 88 D HA 0.405 5.053 4.640 0.013 0.000 0.244 88 D C -1.667 174.341 176.300 -0.488 0.000 1.244 88 D CA -0.223 53.661 54.000 -0.194 0.000 0.772 88 D CB 2.561 43.504 40.800 0.238 0.000 1.379 88 D HN -0.292 nan 8.370 nan 0.000 0.428 89 V N 2.973 122.523 119.914 -0.606 0.000 2.777 89 V HA 0.888 5.016 4.120 0.013 0.000 0.306 89 V C -1.696 174.383 176.094 -0.025 0.000 1.112 89 V CA -0.480 61.590 62.300 -0.382 0.000 0.917 89 V CB 1.210 32.766 31.823 -0.445 0.000 1.018 89 V HN 0.539 nan 8.190 nan 0.000 0.426 90 F N 2.584 122.584 119.950 0.083 0.000 2.662 90 F HA 0.915 5.450 4.527 0.013 0.000 0.312 90 F C -0.744 175.262 175.800 0.342 0.000 1.113 90 F CA -0.642 57.484 58.000 0.211 0.000 0.951 90 F CB 1.793 40.943 39.000 0.251 0.000 1.344 90 F HN 0.560 nan 8.300 nan 0.000 0.462 91 T N 1.211 116.140 114.554 0.625 0.000 2.912 91 T HA 0.499 4.857 4.350 0.013 0.000 0.299 91 T C -2.369 172.491 174.700 0.267 0.000 1.052 91 T CA -1.842 60.586 62.100 0.545 0.000 0.996 91 T CB 1.946 71.162 68.868 0.580 0.000 1.070 91 T HN 0.554 nan 8.240 nan 0.000 0.465 92 P HA 0.197 nan 4.420 nan 0.000 0.233 92 P C 0.373 177.488 177.300 -0.309 0.000 1.167 92 P CA 0.062 62.739 63.100 -0.704 0.000 0.770 92 P CB -0.180 31.256 31.700 -0.440 0.000 0.837 93 A N 0.879 123.708 122.820 0.015 0.000 2.498 93 A HA 0.102 4.430 4.320 0.013 0.000 0.239 93 A C 1.199 178.834 177.584 0.086 0.000 1.068 93 A CA -0.032 52.062 52.037 0.094 0.000 0.766 93 A CB 0.000 19.160 19.000 0.267 0.000 1.003 93 A HN 0.068 nan 8.150 nan 0.000 0.497 94 R N 0.505 121.038 120.500 0.054 0.000 2.334 94 R HA 0.143 4.491 4.340 0.013 0.000 0.212 94 R C 0.113 176.467 176.300 0.091 0.000 0.897 94 R CA 0.828 56.968 56.100 0.067 0.000 1.056 94 R CB 0.217 30.535 30.300 0.030 0.000 1.046 94 R HN 0.820 nan 8.270 nan 0.000 0.513 95 S N -1.177 114.549 115.700 0.044 0.000 2.607 95 S HA 0.173 4.651 4.470 0.013 0.000 0.273 95 S C 0.346 174.727 174.600 -0.365 0.000 1.148 95 S CA -0.913 57.252 58.200 -0.059 0.000 0.833 95 S CB 1.539 64.708 63.200 -0.052 0.000 1.130 95 S HN -0.006 nan 8.310 nan 0.000 0.470 96 L N 1.281 122.104 121.223 -0.665 0.000 2.079 96 L HA 0.015 4.363 4.340 0.013 0.000 0.210 96 L C 2.132 178.809 176.870 -0.321 0.000 1.081 96 L CA 2.214 56.541 54.840 -0.855 0.000 0.752 96 L CB -1.214 40.493 42.059 -0.586 0.000 0.896 96 L HN 0.870 nan 8.230 nan 0.000 0.433 97 E N 0.230 120.314 120.200 -0.193 0.000 2.077 97 E HA -0.244 4.114 4.350 0.013 0.000 0.193 97 E C 1.946 178.510 176.600 -0.060 0.000 0.989 97 E CA 1.644 57.982 56.400 -0.103 0.000 0.800 97 E CB -0.263 29.392 29.700 -0.074 0.000 0.746 97 E HN 0.846 nan 8.360 nan 0.000 0.452 98 E N -0.273 119.904 120.200 -0.039 0.000 2.479 98 E HA -0.029 4.329 4.350 0.013 0.000 0.193 98 E C -0.142 176.504 176.600 0.076 0.000 1.049 98 E CA -0.401 56.003 56.400 0.007 0.000 0.870 98 E CB -0.148 29.557 29.700 0.009 0.000 0.944 98 E HN 0.085 nan 8.360 nan 0.000 0.492 99 F N 2.516 122.394 119.950 -0.119 0.000 2.519 99 F HA 0.173 4.708 4.527 0.013 0.000 0.375 99 F C 0.355 176.190 175.800 0.058 0.000 1.084 99 F CA -0.248 57.730 58.000 -0.037 0.000 1.147 99 F CB 0.518 39.408 39.000 -0.184 0.000 1.088 99 F HN -0.038 nan 8.300 nan 0.000 0.555 100 N N 3.187 121.783 118.700 -0.174 0.000 2.073 100 N HA 0.030 4.778 4.740 0.013 0.000 0.227 100 N C -1.526 173.842 175.510 -0.236 0.000 1.367 100 N CA 0.035 52.960 53.050 -0.208 0.000 0.775 100 N CB 0.392 38.832 38.487 -0.079 0.000 1.234 100 N HN 0.507 nan 8.380 nan 0.000 0.512 101 D N 0.169 120.455 120.400 -0.189 0.000 2.879 101 D HA 0.407 5.055 4.640 0.013 0.000 0.236 101 D C -0.737 175.540 176.300 -0.039 0.000 1.171 101 D CA -0.250 53.645 54.000 -0.175 0.000 0.868 101 D CB 3.208 43.978 40.800 -0.051 0.000 1.598 101 D HN -0.280 nan 8.370 nan 0.000 0.497 102 V N 2.700 122.482 119.914 -0.220 0.000 2.531 102 V HA 0.382 4.510 4.120 0.013 0.000 0.301 102 V C -1.138 174.746 176.094 -0.350 0.000 1.034 102 V CA -0.710 61.542 62.300 -0.079 0.000 0.865 102 V CB 1.257 33.050 31.823 -0.050 0.000 0.995 102 V HN 0.394 nan 8.190 nan 0.000 0.424 103 Y N 4.778 124.834 120.300 -0.406 0.000 2.352 103 Y HA 0.704 5.262 4.550 0.013 0.000 0.339 103 Y C -0.104 175.424 175.900 -0.620 0.000 0.992 103 Y CA -0.841 56.875 58.100 -0.640 0.000 1.100 103 Y CB 1.739 39.457 38.460 -1.237 0.000 1.192 103 Y HN 0.421 nan 8.280 nan 0.000 0.458 104 L N 4.475 125.546 121.223 -0.254 0.000 2.325 104 L HA 0.669 5.017 4.340 0.013 0.000 0.281 104 L C -0.994 175.789 176.870 -0.145 0.000 1.004 104 L CA -0.978 53.739 54.840 -0.205 0.000 0.823 104 L CB 1.470 43.443 42.059 -0.144 0.000 1.236 104 L HN 0.316 nan 8.230 nan 0.000 0.415 105 V N 2.056 121.878 119.914 -0.153 0.000 2.459 105 V HA 0.676 4.804 4.120 0.013 0.000 0.295 105 V C 0.087 176.138 176.094 -0.073 0.000 1.029 105 V CA -0.243 61.993 62.300 -0.105 0.000 0.874 105 V CB 1.742 33.503 31.823 -0.102 0.000 0.985 105 V HN 0.852 nan 8.190 nan 0.000 0.438 106 T N 1.794 116.315 114.554 -0.054 0.000 2.696 106 T HA 0.417 4.775 4.350 0.013 0.000 0.291 106 T C -0.733 173.926 174.700 -0.067 0.000 1.095 106 T CA -0.603 61.466 62.100 -0.051 0.000 1.026 106 T CB 1.287 70.177 68.868 0.036 0.000 1.390 106 T HN 0.745 nan 8.240 nan 0.000 0.513 107 H N 1.248 120.346 119.070 0.046 0.000 2.897 107 H HA 0.219 4.783 4.556 0.013 0.000 0.347 107 H C -0.100 175.253 175.328 0.043 0.000 1.068 107 H CA -0.117 55.960 56.048 0.048 0.000 1.426 107 H CB 0.681 30.469 29.762 0.042 0.000 1.410 107 H HN 0.242 nan 8.280 nan 0.000 0.597 108 L N 3.904 125.225 121.223 0.163 0.000 2.278 108 L HA 0.012 4.360 4.340 0.013 0.000 0.287 108 L C 0.778 177.714 176.870 0.111 0.000 1.072 108 L CA -0.042 54.866 54.840 0.113 0.000 0.819 108 L CB 0.517 42.636 42.059 0.099 0.000 1.176 108 L HN 0.576 nan 8.230 nan 0.000 0.435 109 M N 2.931 122.580 119.600 0.082 0.000 2.557 109 M HA 0.333 4.820 4.480 0.013 0.000 0.262 109 M C 1.580 177.907 176.300 0.045 0.000 1.168 109 M CA 1.054 56.388 55.300 0.056 0.000 1.194 109 M CB -0.912 31.710 32.600 0.036 0.000 1.311 109 M HN 0.821 nan 8.290 nan 0.000 0.489 110 G N 0.437 109.260 108.800 0.039 0.000 2.213 110 G HA2 -0.066 3.902 3.960 0.013 0.000 0.226 110 G HA3 -0.066 3.902 3.960 0.013 0.000 0.226 110 G C 0.221 175.135 174.900 0.023 0.000 0.992 110 G CA 0.328 45.448 45.100 0.033 0.000 0.632 110 G HN 0.885 nan 8.290 nan 0.000 0.511 111 A N -0.369 122.461 122.820 0.017 0.000 2.609 111 A HA 0.738 5.066 4.320 0.013 0.000 0.291 111 A C -0.899 176.683 177.584 -0.005 0.000 1.096 111 A CA 0.346 52.388 52.037 0.009 0.000 0.684 111 A CB 1.109 20.118 19.000 0.015 0.000 1.282 111 A HN 1.073 nan 8.150 nan 0.000 0.412 112 D N -0.425 119.966 120.400 -0.015 0.000 2.340 112 D HA 0.493 5.141 4.640 0.013 0.000 0.243 112 D C 0.641 176.919 176.300 -0.037 0.000 0.988 112 D CA -0.707 53.273 54.000 -0.033 0.000 0.959 112 D CB 0.771 41.544 40.800 -0.044 0.000 1.226 112 D HN 0.224 nan 8.370 nan 0.000 0.509 113 L N 0.841 122.027 121.223 -0.061 0.000 2.131 113 L HA -0.102 4.246 4.340 0.013 0.000 0.210 113 L C 1.686 178.525 176.870 -0.051 0.000 1.092 113 L CA 1.686 56.486 54.840 -0.066 0.000 0.759 113 L CB -1.126 40.870 42.059 -0.105 0.000 0.903 113 L HN 0.682 nan 8.230 nan 0.000 0.435 114 N N -0.556 118.113 118.700 -0.052 0.000 2.084 114 N HA -0.249 4.499 4.740 0.013 0.000 0.190 114 N C 1.676 177.185 175.510 -0.002 0.000 1.030 114 N CA 1.423 54.458 53.050 -0.025 0.000 0.849 114 N CB -0.028 38.441 38.487 -0.029 0.000 1.012 114 N HN 0.368 nan 8.380 nan 0.000 0.423 115 N N 0.334 119.031 118.700 -0.005 0.000 2.289 115 N HA -0.054 4.694 4.740 0.013 0.000 0.184 115 N C 1.518 177.036 175.510 0.013 0.000 1.016 115 N CA 0.752 53.806 53.050 0.007 0.000 0.872 115 N CB 0.083 38.572 38.487 0.005 0.000 0.973 115 N HN 0.274 nan 8.380 nan 0.000 0.433 116 I N -0.665 119.910 120.570 0.009 0.000 2.556 116 I HA -0.008 4.170 4.170 0.013 0.000 0.251 116 I C 1.649 177.778 176.117 0.021 0.000 1.105 116 I CA 0.816 62.127 61.300 0.019 0.000 1.436 116 I CB -1.030 36.984 38.000 0.024 0.000 1.139 116 I HN 0.084 nan 8.210 nan 0.000 0.438 117 V N -0.571 119.347 119.914 0.007 0.000 3.427 117 V HA 0.210 4.338 4.120 0.013 0.000 0.305 117 V C 0.795 176.895 176.094 0.011 0.000 1.412 117 V CA -0.604 61.699 62.300 0.005 0.000 1.086 117 V CB -0.965 30.841 31.823 -0.028 0.000 0.964 117 V HN 0.379 nan 8.190 nan 0.000 0.439 118 K N -0.122 120.291 120.400 0.021 0.000 2.524 118 K HA 0.122 4.450 4.320 0.013 0.000 0.279 118 K C 0.600 177.222 176.600 0.037 0.000 0.993 118 K CA 0.484 56.795 56.287 0.039 0.000 1.030 118 K CB 0.011 32.544 32.500 0.055 0.000 0.891 118 K HN 0.357 nan 8.250 nan 0.000 0.488 119 C N 0.631 119.953 119.300 0.036 0.000 4.593 119 C HA -0.167 4.301 4.460 0.013 0.000 0.263 119 C C -0.182 174.820 174.990 0.020 0.000 1.378 119 C CA 0.860 59.894 59.018 0.028 0.000 1.666 119 C CB -2.901 24.859 27.740 0.034 0.000 1.603 119 C HN 0.933 nan 8.230 nan 0.000 0.704 120 Q N 0.004 119.816 119.800 0.019 0.000 2.312 120 Q HA 0.494 4.842 4.340 0.013 0.000 0.263 120 Q C -0.266 175.743 176.000 0.015 0.000 0.995 120 Q CA -0.382 55.432 55.803 0.020 0.000 0.853 120 Q CB 1.863 30.617 28.738 0.027 0.000 1.300 120 Q HN 0.432 nan 8.270 nan 0.000 0.448 121 K N 2.771 123.183 120.400 0.021 0.000 2.248 121 K HA 0.268 4.596 4.320 0.013 0.000 0.281 121 K C -1.058 175.564 176.600 0.038 0.000 1.054 121 K CA -0.464 55.837 56.287 0.023 0.000 0.903 121 K CB 0.490 33.005 32.500 0.025 0.000 1.077 121 K HN 0.348 nan 8.250 nan 0.000 0.474 122 L N 3.151 124.393 121.223 0.032 0.000 2.399 122 L HA 0.279 4.627 4.340 0.013 0.000 0.265 122 L C 0.644 177.573 176.870 0.099 0.000 1.089 122 L CA -0.139 54.741 54.840 0.067 0.000 0.802 122 L CB 1.322 43.364 42.059 -0.027 0.000 1.180 122 L HN 0.836 nan 8.230 nan 0.000 0.454 123 T N -2.498 112.148 114.554 0.154 0.000 2.900 123 T HA 0.035 4.393 4.350 0.013 0.000 0.307 123 T C 0.861 175.652 174.700 0.151 0.000 1.065 123 T CA -0.221 61.960 62.100 0.134 0.000 1.105 123 T CB 0.447 69.389 68.868 0.122 0.000 0.979 123 T HN 0.638 nan 8.240 nan 0.000 0.544 124 D N 0.482 120.957 120.400 0.127 0.000 2.123 124 D HA -0.164 4.484 4.640 0.013 0.000 0.196 124 D C 1.663 178.049 176.300 0.143 0.000 0.992 124 D CA 1.650 55.739 54.000 0.149 0.000 0.833 124 D CB -0.326 40.559 40.800 0.140 0.000 0.954 124 D HN 0.837 nan 8.370 nan 0.000 0.455 125 D N -1.572 118.905 120.400 0.128 0.000 2.144 125 D HA -0.200 4.448 4.640 0.013 0.000 0.199 125 D C 1.937 178.382 176.300 0.243 0.000 0.984 125 D CA 1.198 55.287 54.000 0.148 0.000 0.834 125 D CB -0.188 40.675 40.800 0.104 0.000 0.955 125 D HN 0.446 nan 8.370 nan 0.000 0.465 126 H N -1.060 118.081 119.070 0.119 0.000 2.321 126 H HA -0.088 4.476 4.556 0.013 0.000 0.300 126 H C 2.020 177.431 175.328 0.139 0.000 1.087 126 H CA 1.248 57.382 56.048 0.142 0.000 1.319 126 H CB 0.237 30.062 29.762 0.105 0.000 1.379 126 H HN 0.050 nan 8.280 nan 0.000 0.501 127 V N 1.000 121.031 119.914 0.196 0.000 2.343 127 V HA -0.285 3.843 4.120 0.013 0.000 0.247 127 V C 2.326 178.536 176.094 0.193 0.000 1.051 127 V CA 1.922 64.299 62.300 0.129 0.000 1.036 127 V CB -0.608 31.306 31.823 0.152 0.000 0.654 127 V HN 0.511 nan 8.190 nan 0.000 0.451 128 Q N -1.022 118.867 119.800 0.149 0.000 2.077 128 Q HA -0.268 4.080 4.340 0.013 0.000 0.206 128 Q C 2.191 178.250 176.000 0.099 0.000 0.989 128 Q CA 2.348 58.194 55.803 0.072 0.000 0.853 128 Q CB -0.347 28.351 28.738 -0.067 0.000 0.907 128 Q HN 0.643 nan 8.270 nan 0.000 0.418 129 F N 0.849 120.652 119.950 -0.246 0.000 2.146 129 F HA -0.135 4.400 4.527 0.012 0.000 0.298 129 F C 1.716 177.412 175.800 -0.174 0.000 1.096 129 F CA 1.173 58.861 58.000 -0.519 0.000 1.275 129 F CB -0.244 38.590 39.000 -0.276 0.000 1.008 129 F HN -0.028 nan 8.300 nan 0.000 0.480 130 L N -0.428 120.713 121.223 -0.137 0.000 2.044 130 L HA -0.217 4.131 4.340 0.013 0.000 0.205 130 L C 2.432 179.182 176.870 -0.201 0.000 1.075 130 L CA 0.671 55.356 54.840 -0.258 0.000 0.747 130 L CB -0.640 41.316 42.059 -0.172 0.000 0.903 130 L HN 0.068 nan 8.230 nan 0.000 0.435 131 I N -0.951 119.600 120.570 -0.033 0.000 2.315 131 I HA -0.303 3.875 4.170 0.013 0.000 0.248 131 I C 2.483 178.489 176.117 -0.185 0.000 1.117 131 I CA 1.478 62.780 61.300 0.004 0.000 1.404 131 I CB -1.248 36.910 38.000 0.265 0.000 1.071 131 I HN 0.267 nan 8.210 nan 0.000 0.419 132 Y N 2.295 122.378 120.300 -0.363 0.000 2.128 132 Y HA -0.291 4.266 4.550 0.012 0.000 0.284 132 Y C 2.718 178.358 175.900 -0.433 0.000 1.154 132 Y CA 1.963 59.659 58.100 -0.674 0.000 1.149 132 Y CB -0.390 37.791 38.460 -0.465 0.000 0.976 132 Y HN 0.233 nan 8.280 nan 0.000 0.505 133 Q N -0.053 119.476 119.800 -0.451 0.000 2.084 133 Q HA -0.167 4.181 4.340 0.013 0.000 0.202 133 Q C 2.357 178.113 176.000 -0.407 0.000 0.978 133 Q CA 2.108 57.640 55.803 -0.453 0.000 0.844 133 Q CB -0.234 28.240 28.738 -0.441 0.000 0.898 133 Q HN 0.568 nan 8.270 nan 0.000 0.426 134 I N 0.667 121.021 120.570 -0.359 0.000 2.163 134 I HA -0.327 3.851 4.170 0.013 0.000 0.243 134 I C 2.184 178.090 176.117 -0.353 0.000 1.085 134 I CA 1.276 62.383 61.300 -0.321 0.000 1.347 134 I CB -0.325 37.518 38.000 -0.261 0.000 1.044 134 I HN 0.202 nan 8.210 nan 0.000 0.408 135 L N 0.040 121.030 121.223 -0.388 0.000 2.141 135 L HA -0.190 4.158 4.340 0.013 0.000 0.209 135 L C 2.756 179.389 176.870 -0.396 0.000 1.094 135 L CA 1.126 55.742 54.840 -0.373 0.000 0.763 135 L CB -0.534 41.293 42.059 -0.387 0.000 0.908 135 L HN 0.206 nan 8.230 nan 0.000 0.437 136 R N 0.218 120.410 120.500 -0.513 0.000 2.073 136 R HA -0.143 4.205 4.340 0.013 0.000 0.234 136 R C 2.303 178.407 176.300 -0.327 0.000 1.134 136 R CA 1.592 57.459 56.100 -0.389 0.000 0.952 136 R CB -0.540 29.477 30.300 -0.472 0.000 0.850 136 R HN 0.370 nan 8.270 nan 0.000 0.433 137 G N 0.804 109.372 108.800 -0.386 0.000 2.418 137 G HA2 -0.234 3.734 3.960 0.013 0.000 0.217 137 G HA3 -0.234 3.734 3.960 0.013 0.000 0.217 137 G C 1.463 176.099 174.900 -0.440 0.000 1.158 137 G CA 0.560 45.335 45.100 -0.541 0.000 0.771 137 G HN 0.230 nan 8.290 nan 0.000 0.545 138 L N 0.114 121.087 121.223 -0.417 0.000 2.083 138 L HA -0.067 4.281 4.340 0.013 0.000 0.209 138 L C 2.864 179.459 176.870 -0.459 0.000 1.083 138 L CA 1.503 56.031 54.840 -0.521 0.000 0.752 138 L CB -0.335 41.400 42.059 -0.541 0.000 0.899 138 L HN 0.274 nan 8.230 nan 0.000 0.433 139 K N -0.279 119.960 120.400 -0.268 0.000 2.044 139 K HA -0.290 4.038 4.320 0.013 0.000 0.210 139 K C 2.266 178.835 176.600 -0.051 0.000 1.049 139 K CA 1.990 58.212 56.287 -0.108 0.000 0.927 139 K CB -0.363 32.108 32.500 -0.048 0.000 0.713 139 K HN 0.157 nan 8.250 nan 0.000 0.443 140 Y N 1.406 121.565 120.300 -0.236 0.000 2.070 140 Y HA -0.231 4.325 4.550 0.011 0.000 0.280 140 Y C 1.980 177.828 175.900 -0.087 0.000 1.148 140 Y CA 2.011 60.003 58.100 -0.180 0.000 1.125 140 Y CB -0.256 37.935 38.460 -0.448 0.000 0.975 140 Y HN 0.027 nan 8.280 nan 0.000 0.492 141 I N -0.387 120.167 120.570 -0.027 0.000 2.163 141 I HA -0.410 3.768 4.170 0.013 0.000 0.243 141 I C 2.277 178.438 176.117 0.073 0.000 1.085 141 I CA 2.061 63.369 61.300 0.013 0.000 1.347 141 I CB -0.646 37.330 38.000 -0.040 0.000 1.044 141 I HN 0.379 nan 8.210 nan 0.000 0.408 142 H N -0.263 118.792 119.070 -0.025 0.000 2.423 142 H HA -0.117 4.446 4.556 0.012 0.000 0.297 142 H C 2.491 177.810 175.328 -0.015 0.000 1.075 142 H CA 1.124 57.171 56.048 -0.002 0.000 1.342 142 H CB 0.062 29.828 29.762 0.007 0.000 1.395 142 H HN 0.399 nan 8.280 nan 0.000 0.530 143 S N 0.615 116.356 115.700 0.068 0.000 2.447 143 S HA -0.042 4.436 4.470 0.013 0.000 0.233 143 S C 2.027 176.625 174.600 -0.003 0.000 1.006 143 S CA 0.621 58.830 58.200 0.014 0.000 0.957 143 S CB 0.032 63.215 63.200 -0.028 0.000 0.773 143 S HN 0.401 nan 8.310 nan 0.000 0.507 144 A N 0.950 123.757 122.820 -0.022 0.000 2.307 144 A HA 0.260 4.588 4.320 0.013 0.000 0.218 144 A C 0.464 178.094 177.584 0.076 0.000 1.228 144 A CA 0.207 52.263 52.037 0.031 0.000 0.857 144 A CB -0.413 18.596 19.000 0.016 0.000 0.897 144 A HN 0.374 nan 8.150 nan 0.000 0.495 145 D N -0.640 119.804 120.400 0.073 0.000 2.708 145 D HA -0.157 4.491 4.640 0.013 0.000 0.236 145 D C -0.363 176.002 176.300 0.109 0.000 1.146 145 D CA 1.044 55.089 54.000 0.075 0.000 0.662 145 D CB -1.215 39.615 40.800 0.050 0.000 1.059 145 D HN 0.555 nan 8.370 nan 0.000 0.428 146 I N 0.483 121.131 120.570 0.131 0.000 2.392 146 I HA 0.365 4.543 4.170 0.013 0.000 0.295 146 I C 0.867 177.123 176.117 0.232 0.000 0.985 146 I CA -0.776 60.616 61.300 0.153 0.000 1.221 146 I CB 1.493 39.554 38.000 0.102 0.000 1.366 146 I HN -0.137 nan 8.210 nan 0.000 0.467 147 I N 4.813 125.516 120.570 0.222 0.000 2.378 147 I HA 0.194 4.372 4.170 0.013 0.000 0.291 147 I C 1.170 177.475 176.117 0.313 0.000 0.992 147 I CA -0.536 60.925 61.300 0.269 0.000 1.154 147 I CB 1.489 39.635 38.000 0.244 0.000 1.315 147 I HN 0.675 nan 8.210 nan 0.000 0.448 148 H N 6.412 125.634 119.070 0.253 0.000 2.270 148 H HA -0.066 4.497 4.556 0.013 0.000 0.299 148 H C 1.605 177.042 175.328 0.182 0.000 1.077 148 H CA 2.348 58.537 56.048 0.234 0.000 1.294 148 H CB 0.392 30.167 29.762 0.022 0.000 1.371 148 H HN 0.708 nan 8.280 nan 0.000 0.491 149 R N -0.720 119.980 120.500 0.333 0.000 3.405 149 R HA -0.178 4.170 4.340 0.013 0.000 0.458 149 R C -0.551 175.864 176.300 0.192 0.000 0.589 149 R CA 1.398 57.597 56.100 0.164 0.000 1.480 149 R CB -1.305 29.051 30.300 0.094 0.000 2.107 149 R HN 0.452 nan 8.270 nan 0.000 0.379 150 D N -0.034 120.625 120.400 0.433 0.000 2.914 150 D HA 0.168 4.816 4.640 0.013 0.000 0.349 150 D C -1.216 175.204 176.300 0.201 0.000 1.540 150 D CA -0.358 53.825 54.000 0.306 0.000 0.778 150 D CB 0.394 41.384 40.800 0.317 0.000 1.213 150 D HN 0.084 nan 8.370 nan 0.000 0.451 151 L N 2.172 123.363 121.223 -0.053 0.000 2.410 151 L HA 0.350 4.698 4.340 0.013 0.000 0.273 151 L C 0.109 176.837 176.870 -0.237 0.000 1.144 151 L CA 0.778 55.389 54.840 -0.383 0.000 0.863 151 L CB 0.048 41.857 42.059 -0.416 0.000 1.140 151 L HN 0.195 nan 8.230 nan 0.000 0.463 152 K N 2.982 123.172 120.400 -0.350 0.000 2.607 152 K HA 0.477 4.804 4.320 0.013 0.000 0.287 152 K C -2.775 173.530 176.600 -0.491 0.000 0.996 152 K CA -1.542 54.367 56.287 -0.630 0.000 0.876 152 K CB 0.757 32.922 32.500 -0.557 0.000 1.496 152 K HN 0.022 nan 8.250 nan 0.000 0.415 153 P HA -0.239 nan 4.420 nan 0.000 0.216 153 P C 1.257 178.441 177.300 -0.193 0.000 1.150 153 P CA 2.000 64.922 63.100 -0.297 0.000 0.843 153 P CB 0.051 31.616 31.700 -0.224 0.000 0.787 154 S N -2.195 113.400 115.700 -0.174 0.000 2.515 154 S HA -0.033 4.445 4.470 0.013 0.000 0.231 154 S C 1.449 175.997 174.600 -0.088 0.000 0.987 154 S CA 0.743 58.880 58.200 -0.105 0.000 0.936 154 S CB -0.954 62.198 63.200 -0.080 0.000 0.766 154 S HN 0.051 nan 8.310 nan 0.000 0.528 155 N N 1.054 119.690 118.700 -0.107 0.000 2.251 155 N HA 0.352 5.100 4.740 0.013 0.000 0.217 155 N C -0.903 174.559 175.510 -0.081 0.000 1.124 155 N CA 0.091 53.110 53.050 -0.052 0.000 0.843 155 N CB 0.307 38.797 38.487 0.006 0.000 1.024 155 N HN 0.471 nan 8.380 nan 0.000 0.501 156 L N 0.876 122.031 121.223 -0.114 0.000 2.324 156 L HA 0.540 4.887 4.340 0.013 0.000 0.274 156 L C 0.008 176.828 176.870 -0.085 0.000 1.012 156 L CA -0.839 53.927 54.840 -0.123 0.000 0.859 156 L CB 1.378 43.337 42.059 -0.166 0.000 1.224 156 L HN -0.104 nan 8.230 nan 0.000 0.429 157 A N 3.450 126.235 122.820 -0.058 0.000 2.409 157 A HA 0.585 4.913 4.320 0.013 0.000 0.262 157 A C -0.413 177.145 177.584 -0.042 0.000 1.113 157 A CA -0.179 51.837 52.037 -0.034 0.000 0.790 157 A CB 1.083 20.079 19.000 -0.007 0.000 1.046 157 A HN 0.447 nan 8.150 nan 0.000 0.496 158 V N 3.795 123.694 119.914 -0.026 0.000 2.760 158 V HA 0.486 4.614 4.120 0.013 0.000 0.309 158 V C -0.711 175.391 176.094 0.012 0.000 1.077 158 V CA -0.742 61.547 62.300 -0.018 0.000 0.910 158 V CB 2.140 33.950 31.823 -0.023 0.000 1.008 158 V HN 1.201 nan 8.190 nan 0.000 0.424 159 N N 3.331 122.046 118.700 0.026 0.000 2.538 159 N HA 0.330 5.077 4.740 0.013 0.000 0.292 159 N C 0.507 176.053 175.510 0.059 0.000 1.262 159 N CA -0.418 52.658 53.050 0.043 0.000 0.976 159 N CB 0.472 38.986 38.487 0.044 0.000 1.161 159 N HN 0.596 nan 8.380 nan 0.000 0.598 160 E N -1.415 118.819 120.200 0.057 0.000 2.338 160 E HA -0.083 4.274 4.350 0.013 0.000 0.197 160 E C -0.262 176.379 176.600 0.068 0.000 1.007 160 E CA 0.764 57.198 56.400 0.057 0.000 0.849 160 E CB -0.069 29.657 29.700 0.043 0.000 0.774 160 E HN 0.500 nan 8.360 nan 0.000 0.506 161 D N -0.201 120.249 120.400 0.083 0.000 2.358 161 D HA 0.080 4.728 4.640 0.013 0.000 0.224 161 D C 0.002 176.429 176.300 0.212 0.000 1.123 161 D CA 0.046 54.110 54.000 0.107 0.000 0.833 161 D CB 0.684 41.539 40.800 0.092 0.000 0.946 161 D HN -0.166 nan 8.370 nan 0.000 0.505 162 S N 0.416 116.237 115.700 0.202 0.000 3.476 162 S HA -0.214 4.264 4.470 0.013 0.000 0.309 162 S C 0.295 174.986 174.600 0.152 0.000 1.222 162 S CA 0.622 58.974 58.200 0.254 0.000 0.922 162 S CB -1.235 62.248 63.200 0.472 0.000 1.023 162 S HN 0.488 nan 8.310 nan 0.000 0.591 163 E N 0.095 120.372 120.200 0.128 0.000 2.360 163 E HA 0.501 4.858 4.350 0.013 0.000 0.269 163 E C -0.060 176.491 176.600 -0.082 0.000 1.022 163 E CA -0.071 56.336 56.400 0.012 0.000 0.887 163 E CB 0.835 30.573 29.700 0.062 0.000 0.990 163 E HN 0.417 nan 8.360 nan 0.000 0.426 164 L N 2.690 123.814 121.223 -0.166 0.000 2.386 164 L HA 0.477 4.825 4.340 0.013 0.000 0.271 164 L C -1.341 175.445 176.870 -0.140 0.000 0.993 164 L CA -0.568 54.173 54.840 -0.166 0.000 0.819 164 L CB 1.109 43.021 42.059 -0.245 0.000 1.294 164 L HN 0.397 nan 8.230 nan 0.000 0.414 165 K N 5.775 126.112 120.400 -0.104 0.000 2.443 165 K HA 0.507 4.835 4.320 0.013 0.000 0.252 165 K C -1.193 175.364 176.600 -0.072 0.000 0.933 165 K CA -0.615 55.626 56.287 -0.076 0.000 0.792 165 K CB 2.509 34.989 32.500 -0.033 0.000 1.185 165 K HN 0.511 nan 8.250 nan 0.000 0.425 166 I N 5.127 125.637 120.570 -0.100 0.000 2.471 166 I HA 0.084 4.262 4.170 0.013 0.000 0.286 166 I C -0.130 176.021 176.117 0.056 0.000 1.079 166 I CA -0.404 60.823 61.300 -0.122 0.000 1.398 166 I CB 0.113 37.924 38.000 -0.316 0.000 1.403 166 I HN 0.380 nan 8.210 nan 0.000 0.530 167 L N 3.044 124.354 121.223 0.146 0.000 2.194 167 L HA 0.713 5.061 4.340 0.013 0.000 0.248 167 L C -0.385 176.737 176.870 0.420 0.000 1.071 167 L CA -1.035 53.988 54.840 0.305 0.000 0.901 167 L CB 0.339 42.484 42.059 0.145 0.000 1.497 167 L HN 0.397 nan 8.230 nan 0.000 0.442 168 D N 0.130 120.679 120.400 0.249 0.000 2.746 168 D HA -0.203 4.445 4.640 0.013 0.000 0.241 168 D C -0.948 175.375 176.300 0.038 0.000 1.140 168 D CA 1.871 55.927 54.000 0.093 0.000 0.707 168 D CB -1.073 39.766 40.800 0.065 0.000 1.034 168 D HN 0.691 nan 8.370 nan 0.000 0.423 169 F N -3.618 116.136 119.950 -0.326 0.000 2.629 169 F HA 0.675 5.209 4.527 0.012 0.000 0.316 169 F C 1.310 176.894 175.800 -0.361 0.000 1.081 169 F CA -0.375 57.201 58.000 -0.707 0.000 0.954 169 F CB 1.331 39.528 39.000 -1.338 0.000 1.337 169 F HN 0.015 nan 8.300 nan 0.000 0.474 170 G N 0.986 109.681 108.800 -0.175 0.000 2.166 170 G HA2 -0.289 3.679 3.960 0.013 0.000 0.260 170 G HA3 -0.289 3.679 3.960 0.013 0.000 0.260 170 G C 0.150 174.987 174.900 -0.106 0.000 0.986 170 G CA 0.833 45.871 45.100 -0.102 0.000 0.683 170 G HN 0.744 nan 8.290 nan 0.000 0.527 171 L N -1.043 120.099 121.223 -0.135 0.000 2.672 171 L HA 0.570 4.918 4.340 0.013 0.000 0.236 171 L C 2.233 179.046 176.870 -0.095 0.000 1.092 171 L CA 0.576 55.347 54.840 -0.116 0.000 0.887 171 L CB -0.279 41.689 42.059 -0.151 0.000 1.168 171 L HN 0.963 nan 8.230 nan 0.000 0.502 172 A N 1.532 124.304 122.820 -0.079 0.000 5.476 172 A HA -0.334 3.993 4.320 0.013 0.000 0.327 172 A C 0.866 178.319 177.584 -0.218 0.000 1.778 172 A CA 2.074 54.060 52.037 -0.084 0.000 0.721 172 A CB -1.198 17.789 19.000 -0.021 0.000 1.388 172 A HN 0.488 nan 8.150 nan 0.000 0.397 173 R N -0.661 119.706 120.500 -0.222 0.000 2.407 173 R HA 0.558 4.906 4.340 0.013 0.000 0.298 173 R C -0.165 176.062 176.300 -0.121 0.000 1.166 173 R CA 0.188 56.220 56.100 -0.114 0.000 1.006 173 R CB 0.045 30.306 30.300 -0.065 0.000 1.145 173 R HN 0.848 nan 8.270 nan 0.000 0.538 174 H N 1.071 120.132 119.070 -0.015 0.000 2.771 174 H HA 0.162 4.726 4.556 0.013 0.000 0.364 174 H C 0.902 176.223 175.328 -0.010 0.000 1.133 174 H CA 1.242 57.281 56.048 -0.015 0.000 1.423 174 H CB 1.529 31.278 29.762 -0.022 0.000 1.425 174 H HN 0.795 nan 8.280 nan 0.000 0.606 175 T N -0.653 113.974 114.554 0.122 0.000 2.828 175 T HA -0.005 4.352 4.350 0.013 0.000 0.290 175 T C 1.055 175.795 174.700 0.068 0.000 1.019 175 T CA -0.868 61.272 62.100 0.067 0.000 1.031 175 T CB 0.861 69.757 68.868 0.046 0.000 1.001 175 T HN 0.402 nan 8.240 nan 0.000 0.531 176 D N 0.528 120.952 120.400 0.041 0.000 2.117 176 D HA -0.107 4.541 4.640 0.013 0.000 0.197 176 D C 1.650 177.972 176.300 0.036 0.000 0.987 176 D CA 1.509 55.529 54.000 0.034 0.000 0.829 176 D CB -0.403 40.401 40.800 0.007 0.000 0.961 176 D HN 0.827 nan 8.370 nan 0.000 0.460 177 D N 0.684 121.100 120.400 0.027 0.000 2.123 177 D HA -0.150 4.498 4.640 0.013 0.000 0.196 177 D C 1.711 178.022 176.300 0.018 0.000 0.992 177 D CA 1.042 55.055 54.000 0.023 0.000 0.833 177 D CB 0.066 40.878 40.800 0.019 0.000 0.954 177 D HN 0.198 nan 8.370 nan 0.000 0.455 178 E N -1.163 119.052 120.200 0.025 0.000 2.268 178 E HA -0.098 4.260 4.350 0.013 0.000 0.195 178 E C 1.343 177.899 176.600 -0.073 0.000 0.995 178 E CA 0.526 56.928 56.400 0.002 0.000 0.836 178 E CB 0.092 29.841 29.700 0.082 0.000 0.763 178 E HN 0.382 nan 8.360 nan 0.000 0.491 179 M N 0.319 119.892 119.600 -0.045 0.000 2.428 179 M HA 0.084 4.572 4.480 0.013 0.000 0.239 179 M C 0.176 176.477 176.300 0.002 0.000 1.121 179 M CA 0.507 55.756 55.300 -0.085 0.000 1.019 179 M CB 0.367 32.951 32.600 -0.026 0.000 1.485 179 M HN -0.190 nan 8.290 nan 0.000 0.484 180 T N 1.123 115.700 114.554 0.039 0.000 2.806 180 T HA 0.568 4.925 4.350 0.013 0.000 0.290 180 T C 0.796 175.524 174.700 0.048 0.000 0.966 180 T CA 0.542 62.696 62.100 0.090 0.000 1.060 180 T CB 1.450 70.357 68.868 0.065 0.000 0.927 180 T HN 0.652 nan 8.240 nan 0.000 0.485 181 G N 2.239 111.096 108.800 0.096 0.000 2.527 181 G HA2 -0.237 3.730 3.960 0.013 0.000 0.227 181 G HA3 -0.237 3.730 3.960 0.013 0.000 0.227 181 G C -0.690 174.312 174.900 0.171 0.000 1.291 181 G CA -0.543 44.635 45.100 0.130 0.000 0.904 181 G HN 0.745 nan 8.290 nan 0.000 0.577 182 Y N 1.833 122.192 120.300 0.099 0.000 2.636 182 Y HA 0.481 5.039 4.550 0.013 0.000 0.334 182 Y C 0.809 176.725 175.900 0.027 0.000 1.286 182 Y CA 0.022 58.266 58.100 0.239 0.000 1.688 182 Y CB -0.151 38.462 38.460 0.255 0.000 1.662 182 Y HN 1.035 nan 8.280 nan 0.000 0.465 183 V N 1.171 120.735 119.914 -0.583 0.000 2.638 183 V HA 0.718 4.846 4.120 0.013 0.000 0.306 183 V C 0.612 175.597 176.094 -1.848 0.000 1.052 183 V CA -0.380 61.336 62.300 -0.974 0.000 0.885 183 V CB 1.067 32.610 31.823 -0.465 0.000 0.999 183 V HN 0.501 nan 8.190 nan 0.000 0.424 184 A N 2.840 124.658 122.820 -1.670 0.000 2.070 184 A HA -0.070 4.258 4.320 0.013 0.000 0.220 184 A C 2.106 179.429 177.584 -0.435 0.000 1.159 184 A CA 2.285 53.700 52.037 -1.036 0.000 0.656 184 A CB -0.890 17.897 19.000 -0.354 0.000 0.800 184 A HN 1.529 nan 8.150 nan 0.000 0.453 185 T N -2.827 111.446 114.554 -0.469 0.000 2.897 185 T HA -0.150 4.207 4.350 0.013 0.000 0.271 185 T C 1.785 176.287 174.700 -0.331 0.000 1.084 185 T CA 1.537 63.414 62.100 -0.371 0.000 1.123 185 T CB -0.167 68.436 68.868 -0.440 0.000 0.865 185 T HN 0.538 nan 8.240 nan 0.000 0.496 186 R N -1.565 118.706 120.500 -0.382 0.000 2.316 186 R HA 0.163 4.511 4.340 0.013 0.000 0.201 186 R C 1.535 177.789 176.300 -0.076 0.000 0.888 186 R CA -0.140 55.799 56.100 -0.267 0.000 1.041 186 R CB 0.170 30.258 30.300 -0.354 0.000 1.115 186 R HN 0.360 nan 8.270 nan 0.000 0.559 187 W N 0.201 121.393 121.300 -0.181 0.000 2.421 187 W HA -0.117 4.551 4.660 0.013 0.000 0.270 187 W C 0.750 177.047 176.519 -0.370 0.000 1.233 187 W CA 0.696 57.843 57.345 -0.328 0.000 1.226 187 W CB -0.570 28.548 29.460 -0.569 0.000 1.121 187 W HN 0.160 nan 8.180 nan 0.000 0.579 188 Y N -0.543 119.908 120.300 0.251 0.000 2.458 188 Y HA 0.238 4.796 4.550 0.013 0.000 0.256 188 Y C 1.150 177.208 175.900 0.264 0.000 1.159 188 Y CA -0.309 57.935 58.100 0.239 0.000 1.261 188 Y CB -0.280 38.252 38.460 0.119 0.000 1.119 188 Y HN -0.384 nan 8.280 nan 0.000 0.524 189 R N 1.323 121.963 120.500 0.235 0.000 2.390 189 R HA 0.511 4.859 4.340 0.013 0.000 0.291 189 R C 0.267 176.500 176.300 -0.113 0.000 1.070 189 R CA -0.357 55.778 56.100 0.059 0.000 1.014 189 R CB 0.859 31.104 30.300 -0.092 0.000 1.007 189 R HN 0.145 nan 8.270 nan 0.000 0.466 190 A N 5.216 127.861 122.820 -0.293 0.000 2.498 190 A HA 0.126 4.454 4.320 0.013 0.000 0.239 190 A C -1.281 175.798 177.584 -0.842 0.000 1.068 190 A CA -1.107 50.392 52.037 -0.896 0.000 0.766 190 A CB 0.031 18.743 19.000 -0.480 0.000 1.003 190 A HN 0.538 nan 8.150 nan 0.000 0.497 191 P HA -0.207 nan 4.420 nan 0.000 0.218 191 P C 1.096 177.633 177.300 -1.272 0.000 1.149 191 P CA 1.569 64.024 63.100 -1.076 0.000 0.817 191 P CB 0.050 31.065 31.700 -1.142 0.000 0.785 192 E N 0.190 119.800 120.200 -0.984 0.000 2.204 192 E HA -0.139 4.219 4.350 0.013 0.000 0.194 192 E C 2.083 178.453 176.600 -0.384 0.000 0.989 192 E CA 0.773 56.798 56.400 -0.625 0.000 0.824 192 E CB -1.009 28.651 29.700 -0.068 0.000 0.756 192 E HN 0.320 nan 8.360 nan 0.000 0.477 193 I N -0.213 120.129 120.570 -0.381 0.000 2.731 193 I HA -0.042 4.136 4.170 0.013 0.000 0.260 193 I C 2.675 178.627 176.117 -0.276 0.000 1.138 193 I CA 0.271 61.395 61.300 -0.294 0.000 1.461 193 I CB 0.027 37.776 38.000 -0.419 0.000 1.128 193 I HN 0.030 nan 8.210 nan 0.000 0.438 194 M N 0.515 119.907 119.600 -0.346 0.000 2.149 194 M HA -0.207 4.281 4.480 0.013 0.000 0.261 194 M C 1.179 177.391 176.300 -0.146 0.000 1.064 194 M CA 2.018 57.165 55.300 -0.255 0.000 1.102 194 M CB 0.067 32.472 32.600 -0.325 0.000 1.369 194 M HN 0.258 nan 8.290 nan 0.000 0.408 195 L N -0.664 120.375 121.223 -0.307 0.000 2.808 195 L HA 0.255 4.603 4.340 0.013 0.000 0.246 195 L C -0.215 176.606 176.870 -0.081 0.000 1.153 195 L CA -0.291 54.437 54.840 -0.186 0.000 0.956 195 L CB -0.221 41.686 42.059 -0.252 0.000 1.270 195 L HN 0.348 nan 8.230 nan 0.000 0.528 196 N N -0.609 118.027 118.700 -0.106 0.000 2.696 196 N HA -0.237 4.511 4.740 0.013 0.000 0.256 196 N C 0.334 175.940 175.510 0.160 0.000 1.031 196 N CA 0.261 53.324 53.050 0.022 0.000 0.730 196 N CB -0.693 37.812 38.487 0.029 0.000 0.894 196 N HN 0.391 nan 8.380 nan 0.000 0.544 197 W N 0.024 121.309 121.300 -0.025 0.000 2.436 197 W HA 0.159 4.827 4.660 0.013 0.000 0.284 197 W C 1.363 177.855 176.519 -0.045 0.000 1.225 197 W CA 0.854 58.181 57.345 -0.030 0.000 1.271 197 W CB -0.304 29.137 29.460 -0.032 0.000 1.114 197 W HN 0.430 nan 8.180 nan 0.000 0.559 198 M N -2.872 116.834 119.600 0.178 0.000 3.069 198 M HA 0.257 4.744 4.480 0.013 0.000 0.274 198 M C -0.959 175.338 176.300 -0.004 0.000 1.146 198 M CA -0.824 54.506 55.300 0.049 0.000 0.807 198 M CB 1.493 34.168 32.600 0.125 0.000 1.621 198 M HN -0.289 nan 8.290 nan 0.000 0.521 199 H N 2.456 121.561 119.070 0.059 0.000 3.091 199 H HA 0.186 4.750 4.556 0.013 0.000 0.289 199 H C -1.095 174.234 175.328 0.003 0.000 0.995 199 H CA 0.844 56.879 56.048 -0.022 0.000 1.461 199 H CB -0.371 29.349 29.762 -0.070 0.000 1.510 199 H HN 0.592 nan 8.280 nan 0.000 0.546 200 Y N 2.674 123.040 120.300 0.110 0.000 2.326 200 Y HA 0.310 4.868 4.550 0.013 0.000 0.324 200 Y C 0.346 176.278 175.900 0.054 0.000 1.291 200 Y CA -1.095 57.041 58.100 0.059 0.000 1.348 200 Y CB 0.820 39.292 38.460 0.020 0.000 1.294 200 Y HN 0.654 nan 8.280 nan 0.000 0.525 201 N N -0.033 118.807 118.700 0.234 0.000 3.387 201 N HA 0.109 4.856 4.740 0.013 0.000 0.322 201 N C 0.081 175.673 175.510 0.137 0.000 1.588 201 N CA -0.621 52.496 53.050 0.112 0.000 0.778 201 N CB 0.976 39.473 38.487 0.017 0.000 1.883 201 N HN 0.846 nan 8.380 nan 0.000 0.628 202 Q N -0.437 119.341 119.800 -0.037 0.000 2.364 202 Q HA -0.115 4.233 4.340 0.013 0.000 0.209 202 Q C 1.323 177.231 176.000 -0.154 0.000 0.977 202 Q CA 2.248 57.902 55.803 -0.248 0.000 0.885 202 Q CB -0.741 27.533 28.738 -0.773 0.000 0.941 202 Q HN 0.768 nan 8.270 nan 0.000 0.464 203 T N -0.901 113.643 114.554 -0.017 0.000 2.977 203 T HA -0.103 4.255 4.350 0.013 0.000 0.271 203 T C 1.935 176.719 174.700 0.140 0.000 1.105 203 T CA 1.044 63.191 62.100 0.078 0.000 1.116 203 T CB -0.684 68.239 68.868 0.092 0.000 0.878 203 T HN 0.369 nan 8.240 nan 0.000 0.509 204 V N 0.448 120.436 119.914 0.123 0.000 2.469 204 V HA -0.156 3.971 4.120 0.013 0.000 0.251 204 V C 2.087 178.289 176.094 0.180 0.000 1.064 204 V CA 2.022 64.389 62.300 0.112 0.000 1.066 204 V CB -0.832 30.994 31.823 0.004 0.000 0.667 204 V HN 0.257 nan 8.190 nan 0.000 0.461 205 D N 0.606 121.123 120.400 0.195 0.000 2.178 205 D HA -0.053 4.595 4.640 0.013 0.000 0.202 205 D C 2.201 178.611 176.300 0.183 0.000 0.974 205 D CA 1.371 55.492 54.000 0.202 0.000 0.841 205 D CB -0.095 40.881 40.800 0.293 0.000 0.953 205 D HN 0.434 nan 8.370 nan 0.000 0.478 206 I N 0.357 121.058 120.570 0.218 0.000 2.315 206 I HA -0.201 3.976 4.170 0.013 0.000 0.248 206 I C 2.368 178.599 176.117 0.191 0.000 1.117 206 I CA 0.609 62.012 61.300 0.172 0.000 1.404 206 I CB -0.994 37.109 38.000 0.171 0.000 1.071 206 I HN 0.265 nan 8.210 nan 0.000 0.419 207 W N 2.262 123.610 121.300 0.080 0.000 2.335 207 W HA -0.257 4.410 4.660 0.012 0.000 0.311 207 W C 2.538 179.124 176.519 0.112 0.000 1.213 207 W CA 2.004 59.408 57.345 0.098 0.000 1.274 207 W CB -0.299 29.208 29.460 0.079 0.000 1.148 207 W HN 0.111 nan 8.180 nan 0.000 0.498 208 S N 0.756 116.652 115.700 0.326 0.000 2.370 208 S HA -0.201 4.277 4.470 0.013 0.000 0.226 208 S C 1.831 176.482 174.600 0.084 0.000 1.033 208 S CA 1.772 60.113 58.200 0.235 0.000 1.011 208 S CB -0.833 62.468 63.200 0.168 0.000 0.852 208 S HN 0.144 nan 8.310 nan 0.000 0.457 209 V N 1.833 121.760 119.914 0.022 0.000 2.343 209 V HA -0.155 3.973 4.120 0.013 0.000 0.247 209 V C 2.667 178.724 176.094 -0.061 0.000 1.051 209 V CA 1.890 64.168 62.300 -0.037 0.000 1.036 209 V CB -1.633 30.165 31.823 -0.042 0.000 0.654 209 V HN 0.585 nan 8.190 nan 0.000 0.451 210 G N -0.869 107.871 108.800 -0.100 0.000 2.476 210 G HA2 -0.300 3.667 3.960 0.013 0.000 0.218 210 G HA3 -0.300 3.667 3.960 0.013 0.000 0.218 210 G C 1.740 176.511 174.900 -0.214 0.000 1.164 210 G CA 1.468 46.451 45.100 -0.194 0.000 0.768 210 G HN 0.544 nan 8.290 nan 0.000 0.560 211 C N 0.258 119.449 119.300 -0.182 0.000 2.429 211 C HA 0.049 4.517 4.460 0.013 0.000 0.277 211 C C 2.859 177.877 174.990 0.047 0.000 1.262 211 C CA 0.510 59.471 59.018 -0.096 0.000 1.733 211 C CB -1.023 26.768 27.740 0.084 0.000 2.010 211 C HN 0.474 nan 8.230 nan 0.000 0.483 212 I N 0.417 121.042 120.570 0.092 0.000 2.202 212 I HA -0.271 3.907 4.170 0.013 0.000 0.242 212 I C 2.667 178.764 176.117 -0.034 0.000 1.091 212 I CA 1.730 63.054 61.300 0.042 0.000 1.368 212 I CB -0.468 37.492 38.000 -0.067 0.000 1.058 212 I HN 0.349 nan 8.210 nan 0.000 0.410 213 M N 0.800 120.355 119.600 -0.075 0.000 2.080 213 M HA -0.238 4.250 4.480 0.013 0.000 0.260 213 M C 2.430 178.636 176.300 -0.156 0.000 1.068 213 M CA 2.264 57.503 55.300 -0.102 0.000 1.109 213 M CB -0.150 32.379 32.600 -0.118 0.000 1.342 213 M HN 0.269 nan 8.290 nan 0.000 0.405 214 A N 0.062 122.754 122.820 -0.213 0.000 1.883 214 A HA -0.274 4.053 4.320 0.013 0.000 0.217 214 A C 1.967 179.502 177.584 -0.081 0.000 1.186 214 A CA 2.211 54.107 52.037 -0.234 0.000 0.624 214 A CB -1.055 17.826 19.000 -0.198 0.000 0.822 214 A HN 0.740 nan 8.150 nan 0.000 0.444 215 E N -0.202 119.961 120.200 -0.062 0.000 2.110 215 E HA -0.150 4.208 4.350 0.013 0.000 0.193 215 E C 1.924 178.512 176.600 -0.020 0.000 0.988 215 E CA 1.030 57.415 56.400 -0.024 0.000 0.804 215 E CB -0.215 29.506 29.700 0.035 0.000 0.745 215 E HN 0.642 nan 8.360 nan 0.000 0.458 216 L N 0.456 121.658 121.223 -0.036 0.000 2.083 216 L HA -0.181 4.167 4.340 0.013 0.000 0.209 216 L C 2.520 179.375 176.870 -0.025 0.000 1.083 216 L CA 0.795 55.609 54.840 -0.043 0.000 0.752 216 L CB -0.342 41.678 42.059 -0.064 0.000 0.899 216 L HN 0.269 nan 8.230 nan 0.000 0.433 217 L N -0.593 120.612 121.223 -0.030 0.000 2.156 217 L HA -0.130 4.218 4.340 0.013 0.000 0.208 217 L C 2.488 179.374 176.870 0.026 0.000 1.095 217 L CA 1.705 56.539 54.840 -0.009 0.000 0.770 217 L CB -0.482 41.536 42.059 -0.069 0.000 0.914 217 L HN 0.459 nan 8.230 nan 0.000 0.439 218 T N -5.743 108.827 114.554 0.028 0.000 2.969 218 T HA 0.253 4.611 4.350 0.013 0.000 0.250 218 T C 1.464 176.167 174.700 0.005 0.000 1.021 218 T CA 0.498 62.617 62.100 0.032 0.000 1.003 218 T CB 0.885 69.780 68.868 0.044 0.000 1.040 218 T HN 0.324 nan 8.240 nan 0.000 0.492 219 G N 2.004 110.804 108.800 -0.001 0.000 2.162 219 G HA2 -0.208 3.760 3.960 0.013 0.000 0.260 219 G HA3 -0.208 3.760 3.960 0.013 0.000 0.260 219 G C 0.017 174.908 174.900 -0.015 0.000 0.976 219 G CA -0.064 45.035 45.100 -0.003 0.000 0.655 219 G HN 0.669 nan 8.290 nan 0.000 0.533 220 R N 0.309 120.787 120.500 -0.036 0.000 2.621 220 R HA 0.491 4.838 4.340 0.013 0.000 0.292 220 R C -0.053 176.177 176.300 -0.117 0.000 0.969 220 R CA -0.433 55.622 56.100 -0.076 0.000 0.887 220 R CB 1.063 31.303 30.300 -0.099 0.000 1.180 220 R HN 0.157 nan 8.270 nan 0.000 0.450 221 T N 3.084 117.537 114.554 -0.169 0.000 2.908 221 T HA -0.041 4.317 4.350 0.013 0.000 0.301 221 T C 1.589 176.065 174.700 -0.373 0.000 1.019 221 T CA -0.088 61.842 62.100 -0.284 0.000 1.152 221 T CB 0.519 69.071 68.868 -0.528 0.000 0.966 221 T HN 0.358 nan 8.240 nan 0.000 0.540 222 L N 2.529 123.484 121.223 -0.447 0.000 2.044 222 L HA 0.242 4.590 4.340 0.013 0.000 0.205 222 L C 0.374 176.765 176.870 -0.798 0.000 1.075 222 L CA 1.722 56.154 54.840 -0.680 0.000 0.747 222 L CB -0.171 41.356 42.059 -0.885 0.000 0.903 222 L HN 0.641 nan 8.230 nan 0.000 0.435 223 F N 1.115 120.882 119.950 -0.306 0.000 2.523 223 F HA 0.404 4.939 4.527 0.013 0.000 0.322 223 F C -2.081 173.398 175.800 -0.536 0.000 1.361 223 F CA -2.647 55.188 58.000 -0.275 0.000 1.151 223 F CB 0.065 39.011 39.000 -0.089 0.000 1.391 223 F HN 0.033 nan 8.300 nan 0.000 0.566 224 P HA 0.132 nan 4.420 nan 0.000 0.230 224 P C 0.660 177.682 177.300 -0.464 0.000 1.791 224 P CA 0.240 62.534 63.100 -1.345 0.000 1.020 224 P CB 0.248 31.331 31.700 -1.028 0.000 1.977 225 G N 1.309 110.023 108.800 -0.144 0.000 2.441 225 G HA2 0.169 4.137 3.960 0.013 0.000 0.243 225 G HA3 0.169 4.137 3.960 0.013 0.000 0.243 225 G C 1.195 176.341 174.900 0.410 0.000 1.281 225 G CA -0.144 45.060 45.100 0.173 0.000 0.854 225 G HN 0.337 nan 8.290 nan 0.000 0.560 226 T N -1.705 113.056 114.554 0.344 0.000 3.088 226 T HA 0.181 4.539 4.350 0.013 0.000 0.259 226 T C 0.421 175.277 174.700 0.259 0.000 1.122 226 T CA 0.881 63.204 62.100 0.372 0.000 1.095 226 T CB -0.338 68.651 68.868 0.202 0.000 0.930 226 T HN 0.793 nan 8.240 nan 0.000 0.508 227 D N -1.938 118.587 120.400 0.207 0.000 2.769 227 D HA 0.218 4.866 4.640 0.013 0.000 0.309 227 D C 0.003 176.399 176.300 0.160 0.000 1.315 227 D CA -0.856 53.253 54.000 0.183 0.000 0.780 227 D CB 0.084 40.978 40.800 0.157 0.000 1.312 227 D HN -0.101 nan 8.370 nan 0.000 0.437 228 H N -0.436 118.646 119.070 0.021 0.000 2.319 228 H HA -0.042 4.522 4.556 0.013 0.000 0.297 228 H C 1.576 176.905 175.328 0.002 0.000 1.097 228 H CA 1.829 57.871 56.048 -0.009 0.000 1.285 228 H CB -0.089 29.645 29.762 -0.048 0.000 1.368 228 H HN 0.341 nan 8.280 nan 0.000 0.495 229 I N 0.164 120.819 120.570 0.142 0.000 2.286 229 I HA -0.161 4.017 4.170 0.013 0.000 0.245 229 I C 2.113 178.299 176.117 0.115 0.000 1.104 229 I CA 1.244 62.607 61.300 0.104 0.000 1.397 229 I CB -1.012 37.016 38.000 0.047 0.000 1.072 229 I HN 0.259 nan 8.210 nan 0.000 0.417 230 D N 0.583 121.046 120.400 0.105 0.000 2.123 230 D HA -0.274 4.374 4.640 0.013 0.000 0.196 230 D C 2.252 178.603 176.300 0.084 0.000 0.992 230 D CA 1.457 55.515 54.000 0.096 0.000 0.833 230 D CB 0.028 40.891 40.800 0.105 0.000 0.954 230 D HN 0.313 nan 8.370 nan 0.000 0.455 231 Q N -0.791 119.056 119.800 0.079 0.000 2.084 231 Q HA -0.156 4.191 4.340 0.013 0.000 0.202 231 Q C 2.188 178.173 176.000 -0.025 0.000 0.978 231 Q CA 1.051 56.879 55.803 0.041 0.000 0.844 231 Q CB -0.211 28.548 28.738 0.034 0.000 0.898 231 Q HN 0.375 nan 8.270 nan 0.000 0.426 232 L N 1.124 122.348 121.223 0.001 0.000 2.042 232 L HA -0.203 4.145 4.340 0.013 0.000 0.210 232 L C 1.884 178.770 176.870 0.027 0.000 1.076 232 L CA 1.926 56.768 54.840 0.003 0.000 0.749 232 L CB -0.312 41.817 42.059 0.116 0.000 0.893 232 L HN 0.070 nan 8.230 nan 0.000 0.432 233 K N -0.713 119.727 120.400 0.068 0.000 2.063 233 K HA -0.161 4.167 4.320 0.013 0.000 0.208 233 K C 2.079 178.706 176.600 0.046 0.000 1.048 233 K CA 1.752 58.078 56.287 0.065 0.000 0.928 233 K CB -0.367 32.180 32.500 0.078 0.000 0.713 233 K HN 0.356 nan 8.250 nan 0.000 0.442 234 L N 0.717 121.967 121.223 0.045 0.000 2.012 234 L HA -0.213 4.135 4.340 0.013 0.000 0.210 234 L C 2.380 179.291 176.870 0.068 0.000 1.073 234 L CA 1.247 56.143 54.840 0.094 0.000 0.748 234 L CB -0.474 41.683 42.059 0.164 0.000 0.891 234 L HN 0.185 nan 8.230 nan 0.000 0.431 235 I N -0.260 120.190 120.570 -0.200 0.000 2.142 235 I HA -0.316 3.862 4.170 0.013 0.000 0.240 235 I C 2.396 178.498 176.117 -0.026 0.000 1.078 235 I CA 1.417 62.452 61.300 -0.443 0.000 1.343 235 I CB -0.218 37.459 38.000 -0.539 0.000 1.046 235 I HN 0.209 nan 8.210 nan 0.000 0.405 236 L N 0.119 121.354 121.223 0.019 0.000 2.201 236 L HA -0.159 4.189 4.340 0.013 0.000 0.212 236 L C 2.676 179.601 176.870 0.092 0.000 1.105 236 L CA 0.893 55.781 54.840 0.080 0.000 0.775 236 L CB -0.592 41.510 42.059 0.071 0.000 0.913 236 L HN 0.234 nan 8.230 nan 0.000 0.440 237 R N 0.655 121.203 120.500 0.080 0.000 2.105 237 R HA -0.212 4.136 4.340 0.013 0.000 0.239 237 R C 2.211 178.571 176.300 0.100 0.000 1.135 237 R CA 1.493 57.639 56.100 0.076 0.000 0.967 237 R CB -0.239 30.096 30.300 0.057 0.000 0.861 237 R HN 0.215 nan 8.270 nan 0.000 0.442 238 L N -0.015 121.298 121.223 0.150 0.000 2.049 238 L HA -0.012 4.336 4.340 0.013 0.000 0.203 238 L C 1.923 178.961 176.870 0.280 0.000 1.074 238 L CA 1.593 56.532 54.840 0.165 0.000 0.749 238 L CB 0.010 42.192 42.059 0.205 0.000 0.907 238 L HN 0.205 nan 8.230 nan 0.000 0.439 239 V N -2.449 117.648 119.914 0.305 0.000 3.647 239 V HA 0.592 4.720 4.120 0.013 0.000 0.279 239 V C 0.856 177.087 176.094 0.228 0.000 1.314 239 V CA 0.102 62.610 62.300 0.346 0.000 1.125 239 V CB -1.102 30.976 31.823 0.424 0.000 0.907 239 V HN 0.626 nan 8.190 nan 0.000 0.434 240 G N 1.124 110.026 108.800 0.172 0.000 2.712 240 G HA2 -0.038 3.930 3.960 0.013 0.000 0.686 240 G HA3 -0.038 3.930 3.960 0.013 0.000 0.686 240 G C -0.238 174.720 174.900 0.097 0.000 1.321 240 G CA -0.286 44.883 45.100 0.115 0.000 0.813 240 G HN 1.334 nan 8.290 nan 0.000 0.599 241 T N 0.270 114.859 114.554 0.057 0.000 2.860 241 T HA 0.586 4.944 4.350 0.013 0.000 0.299 241 T C -2.002 172.709 174.700 0.018 0.000 1.045 241 T CA -0.698 61.419 62.100 0.030 0.000 1.071 241 T CB 1.136 70.000 68.868 -0.007 0.000 0.985 241 T HN 0.540 nan 8.240 nan 0.000 0.537 242 P HA 0.316 nan 4.420 nan 0.000 0.268 242 P C 0.564 177.837 177.300 -0.046 0.000 1.205 242 P CA -0.105 62.968 63.100 -0.044 0.000 0.771 242 P CB 0.170 31.781 31.700 -0.149 0.000 0.858 243 G N 1.191 109.975 108.800 -0.027 0.000 2.588 243 G HA2 0.365 4.333 3.960 0.013 0.000 0.281 243 G HA3 0.365 4.333 3.960 0.013 0.000 0.281 243 G C 1.118 175.990 174.900 -0.045 0.000 1.236 243 G CA -0.053 45.031 45.100 -0.028 0.000 0.969 243 G HN 0.466 nan 8.290 nan 0.000 0.504 244 A N -0.984 121.814 122.820 -0.037 0.000 1.917 244 A HA -0.110 4.218 4.320 0.013 0.000 0.219 244 A C 2.065 179.625 177.584 -0.040 0.000 1.182 244 A CA 2.204 54.217 52.037 -0.041 0.000 0.633 244 A CB -0.617 18.366 19.000 -0.029 0.000 0.819 244 A HN 0.757 nan 8.150 nan 0.000 0.448 245 E N -0.831 119.353 120.200 -0.026 0.000 2.051 245 E HA -0.205 4.152 4.350 0.013 0.000 0.192 245 E C 1.934 178.518 176.600 -0.026 0.000 0.991 245 E CA 1.503 57.893 56.400 -0.018 0.000 0.799 245 E CB -0.166 29.532 29.700 -0.003 0.000 0.748 245 E HN 0.491 nan 8.360 nan 0.000 0.449 246 L N 0.820 122.022 121.223 -0.034 0.000 2.109 246 L HA -0.074 4.273 4.340 0.013 0.000 0.207 246 L C 2.155 178.956 176.870 -0.115 0.000 1.086 246 L CA 1.190 56.000 54.840 -0.050 0.000 0.760 246 L CB -0.343 41.695 42.059 -0.035 0.000 0.910 246 L HN 0.163 nan 8.230 nan 0.000 0.437 247 L N -0.451 120.691 121.223 -0.134 0.000 2.042 247 L HA -0.271 4.077 4.340 0.013 0.000 0.210 247 L C 2.584 179.374 176.870 -0.135 0.000 1.076 247 L CA 1.550 56.284 54.840 -0.176 0.000 0.749 247 L CB -0.530 41.441 42.059 -0.145 0.000 0.893 247 L HN 0.275 nan 8.230 nan 0.000 0.432 248 K N 0.031 120.381 120.400 -0.084 0.000 2.147 248 K HA -0.194 4.134 4.320 0.013 0.000 0.205 248 K C 1.947 178.519 176.600 -0.047 0.000 1.049 248 K CA 1.264 57.517 56.287 -0.057 0.000 0.936 248 K CB -0.078 32.401 32.500 -0.035 0.000 0.722 248 K HN 0.338 nan 8.250 nan 0.000 0.446 249 K N 0.579 120.952 120.400 -0.045 0.000 2.432 249 K HA 0.068 4.396 4.320 0.013 0.000 0.196 249 K C 0.540 177.128 176.600 -0.022 0.000 1.038 249 K CA 0.290 56.568 56.287 -0.014 0.000 0.986 249 K CB 0.141 32.648 32.500 0.012 0.000 0.782 249 K HN 0.094 nan 8.250 nan 0.000 0.485 250 I N 2.561 123.074 120.570 -0.096 0.000 2.372 250 I HA -0.076 4.102 4.170 0.013 0.000 0.298 250 I C 1.274 177.347 176.117 -0.074 0.000 1.137 250 I CA -0.121 61.101 61.300 -0.130 0.000 1.314 250 I CB 0.764 38.536 38.000 -0.381 0.000 1.444 250 I HN 0.135 nan 8.210 nan 0.000 0.541 251 S N 2.259 117.948 115.700 -0.018 0.000 2.489 251 S HA -0.057 4.421 4.470 0.013 0.000 0.228 251 S C 1.086 175.677 174.600 -0.016 0.000 0.995 251 S CA -0.218 57.974 58.200 -0.013 0.000 0.934 251 S CB 0.038 63.238 63.200 0.001 0.000 0.771 251 S HN 0.576 nan 8.310 nan 0.000 0.522 252 S N 1.519 117.215 115.700 -0.006 0.000 2.430 252 S HA 0.197 4.675 4.470 0.013 0.000 0.282 252 S C 0.926 175.519 174.600 -0.011 0.000 1.186 252 S CA -0.536 57.669 58.200 0.008 0.000 1.060 252 S CB 0.762 63.998 63.200 0.060 0.000 0.966 252 S HN 0.574 nan 8.310 nan 0.000 0.501 253 E N 3.888 124.083 120.200 -0.008 0.000 2.077 253 E HA -0.156 4.202 4.350 0.013 0.000 0.193 253 E C 1.908 178.507 176.600 -0.001 0.000 0.989 253 E CA 1.746 58.139 56.400 -0.013 0.000 0.800 253 E CB -0.158 29.538 29.700 -0.007 0.000 0.746 253 E HN 0.865 nan 8.360 nan 0.000 0.452 254 S N 0.539 116.249 115.700 0.017 0.000 2.355 254 S HA -0.101 4.377 4.470 0.013 0.000 0.222 254 S C 2.264 176.905 174.600 0.069 0.000 1.031 254 S CA 0.925 59.146 58.200 0.036 0.000 0.993 254 S CB -0.446 62.772 63.200 0.030 0.000 0.859 254 S HN 0.388 nan 8.310 nan 0.000 0.453 255 A N 2.326 125.191 122.820 0.075 0.000 1.902 255 A HA -0.040 4.288 4.320 0.013 0.000 0.217 255 A C 2.338 179.920 177.584 -0.002 0.000 1.181 255 A CA 1.544 53.654 52.037 0.122 0.000 0.623 255 A CB -0.778 18.348 19.000 0.210 0.000 0.818 255 A HN 0.535 nan 8.150 nan 0.000 0.443 256 R N -0.480 119.960 120.500 -0.100 0.000 2.083 256 R HA -0.169 4.179 4.340 0.013 0.000 0.237 256 R C 2.115 178.359 176.300 -0.093 0.000 1.137 256 R CA 1.633 57.636 56.100 -0.162 0.000 0.951 256 R CB -0.306 29.910 30.300 -0.139 0.000 0.851 256 R HN 0.538 nan 8.270 nan 0.000 0.434 257 N N -0.204 118.479 118.700 -0.028 0.000 2.104 257 N HA -0.230 4.518 4.740 0.013 0.000 0.190 257 N C 1.575 177.098 175.510 0.023 0.000 1.024 257 N CA 1.413 54.461 53.050 -0.003 0.000 0.853 257 N CB -0.347 38.155 38.487 0.025 0.000 1.008 257 N HN 0.293 nan 8.380 nan 0.000 0.424 258 Y N 1.486 121.768 120.300 -0.030 0.000 2.163 258 Y HA -0.054 4.504 4.550 0.013 0.000 0.288 258 Y C 2.324 178.215 175.900 -0.015 0.000 1.136 258 Y CA 1.122 59.218 58.100 -0.007 0.000 1.147 258 Y CB -0.507 37.967 38.460 0.024 0.000 0.987 258 Y HN -0.021 nan 8.280 nan 0.000 0.509 259 I N 0.760 121.189 120.570 -0.235 0.000 2.248 259 I HA -0.360 3.818 4.170 0.013 0.000 0.248 259 I C 2.015 177.958 176.117 -0.291 0.000 1.107 259 I CA 1.854 62.970 61.300 -0.307 0.000 1.373 259 I CB -1.012 36.836 38.000 -0.254 0.000 1.055 259 I HN 0.484 nan 8.210 nan 0.000 0.418 260 Q N -0.170 119.502 119.800 -0.214 0.000 2.472 260 Q HA -0.090 4.258 4.340 0.013 0.000 0.208 260 Q C 2.062 177.971 176.000 -0.152 0.000 0.958 260 Q CA 1.219 56.928 55.803 -0.157 0.000 0.932 260 Q CB 0.039 28.710 28.738 -0.112 0.000 1.007 260 Q HN 0.571 nan 8.270 nan 0.000 0.508 261 S N -0.432 115.142 115.700 -0.211 0.000 2.522 261 S HA 0.045 4.523 4.470 0.013 0.000 0.227 261 S C 0.786 175.278 174.600 -0.180 0.000 0.986 261 S CA -0.098 57.999 58.200 -0.170 0.000 0.929 261 S CB -0.062 63.048 63.200 -0.150 0.000 0.769 261 S HN 0.156 nan 8.310 nan 0.000 0.529 262 L N 2.459 123.540 121.223 -0.236 0.000 2.350 262 L HA 0.332 4.680 4.340 0.013 0.000 0.275 262 L C 0.264 177.075 176.870 -0.098 0.000 1.099 262 L CA -0.626 54.111 54.840 -0.172 0.000 0.808 262 L CB 0.746 42.685 42.059 -0.200 0.000 1.149 262 L HN 0.002 nan 8.230 nan 0.000 0.442 263 T N 2.629 117.147 114.554 -0.061 0.000 2.908 263 T HA 0.013 4.371 4.350 0.013 0.000 0.301 263 T C 0.201 174.881 174.700 -0.033 0.000 1.019 263 T CA -0.179 61.898 62.100 -0.038 0.000 1.152 263 T CB 0.148 69.003 68.868 -0.022 0.000 0.966 263 T HN 0.479 nan 8.240 nan 0.000 0.540 264 Q N 2.666 122.450 119.800 -0.028 0.000 2.364 264 Q HA 0.367 4.714 4.340 0.013 0.000 0.267 264 Q C -0.256 175.742 176.000 -0.003 0.000 0.999 264 Q CA 0.371 56.163 55.803 -0.019 0.000 0.886 264 Q CB 0.542 29.268 28.738 -0.019 0.000 1.243 264 Q HN 0.572 nan 8.270 nan 0.000 0.415 265 M N 3.160 122.766 119.600 0.009 0.000 2.446 265 M HA 0.443 4.931 4.480 0.013 0.000 0.294 265 M C -2.446 173.876 176.300 0.036 0.000 1.158 265 M CA -2.129 53.185 55.300 0.023 0.000 0.899 265 M CB 2.450 35.068 32.600 0.030 0.000 1.687 265 M HN 0.412 nan 8.290 nan 0.000 0.455 266 P HA 0.196 nan 4.420 nan 0.000 0.279 266 P C -1.259 176.088 177.300 0.079 0.000 1.252 266 P CA -0.540 62.590 63.100 0.051 0.000 0.811 266 P CB 0.806 32.531 31.700 0.042 0.000 1.035 267 K N 2.319 122.778 120.400 0.098 0.000 2.489 267 K HA 0.056 4.384 4.320 0.013 0.000 0.278 267 K C 0.338 177.035 176.600 0.161 0.000 1.000 267 K CA 0.120 56.499 56.287 0.154 0.000 1.012 267 K CB 0.026 32.609 32.500 0.139 0.000 0.903 267 K HN 0.416 nan 8.250 nan 0.000 0.485 268 M N 2.646 122.376 119.600 0.218 0.000 2.202 268 M HA 0.008 4.496 4.480 0.013 0.000 0.316 268 M C 0.649 177.115 176.300 0.277 0.000 1.138 268 M CA -0.294 55.117 55.300 0.184 0.000 1.151 268 M CB 0.372 33.034 32.600 0.104 0.000 1.422 268 M HN 0.568 nan 8.290 nan 0.000 0.471 269 N N 1.019 119.832 118.700 0.188 0.000 2.401 269 N HA 0.053 4.800 4.740 0.013 0.000 0.255 269 N C -0.054 175.630 175.510 0.289 0.000 1.110 269 N CA 0.161 53.333 53.050 0.204 0.000 0.949 269 N CB 0.306 38.856 38.487 0.104 0.000 1.110 269 N HN 0.433 nan 8.380 nan 0.000 0.490 270 F N 2.323 122.312 119.950 0.066 0.000 2.365 270 F HA 0.001 4.536 4.527 0.013 0.000 0.300 270 F C 2.223 178.115 175.800 0.154 0.000 1.090 270 F CA 0.611 58.700 58.000 0.147 0.000 1.408 270 F CB -0.758 38.376 39.000 0.224 0.000 1.060 270 F HN 0.661 nan 8.300 nan 0.000 0.534 271 A N -0.156 122.822 122.820 0.264 0.000 2.015 271 A HA -0.145 4.183 4.320 0.013 0.000 0.219 271 A C 1.968 179.604 177.584 0.087 0.000 1.163 271 A CA 1.539 53.671 52.037 0.159 0.000 0.646 271 A CB -0.515 18.548 19.000 0.105 0.000 0.806 271 A HN 0.284 nan 8.150 nan 0.000 0.448 272 N N -0.564 118.168 118.700 0.053 0.000 2.412 272 N HA 0.046 4.794 4.740 0.013 0.000 0.184 272 N C 1.336 176.785 175.510 -0.100 0.000 1.101 272 N CA 0.817 53.860 53.050 -0.012 0.000 0.881 272 N CB 0.405 38.889 38.487 -0.005 0.000 0.969 272 N HN 0.300 nan 8.380 nan 0.000 0.459 273 V N -0.330 119.474 119.914 -0.183 0.000 2.436 273 V HA 0.081 4.209 4.120 0.013 0.000 0.240 273 V C 0.316 176.058 176.094 -0.587 0.000 1.040 273 V CA 0.873 62.878 62.300 -0.491 0.000 1.052 273 V CB -0.223 31.108 31.823 -0.820 0.000 0.707 273 V HN 0.014 nan 8.190 nan 0.000 0.469 274 F N 0.950 120.841 119.950 -0.098 0.000 2.640 274 F HA 0.451 4.987 4.527 0.014 0.000 0.331 274 F C 0.411 176.185 175.800 -0.043 0.000 1.200 274 F CA -0.594 57.356 58.000 -0.083 0.000 1.278 274 F CB -0.858 38.091 39.000 -0.085 0.000 1.571 274 F HN -0.020 nan 8.300 nan 0.000 0.576 275 I N 1.556 122.148 120.570 0.037 0.000 2.741 275 I HA 0.093 4.271 4.170 0.013 0.000 0.288 275 I C 1.430 177.576 176.117 0.049 0.000 1.192 275 I CA 0.967 62.286 61.300 0.031 0.000 1.426 275 I CB -0.030 37.965 38.000 -0.008 0.000 1.367 275 I HN 0.758 nan 8.210 nan 0.000 0.563 276 G N 4.148 112.978 108.800 0.050 0.000 2.176 276 G HA2 -0.225 3.743 3.960 0.013 0.000 0.253 276 G HA3 -0.225 3.743 3.960 0.013 0.000 0.253 276 G C 0.401 175.333 174.900 0.054 0.000 0.979 276 G CA -0.039 45.087 45.100 0.045 0.000 0.641 276 G HN 0.998 nan 8.290 nan 0.000 0.530 277 A N -0.011 122.851 122.820 0.070 0.000 2.386 277 A HA 0.562 4.890 4.320 0.013 0.000 0.248 277 A C 0.780 178.388 177.584 0.039 0.000 1.082 277 A CA 0.361 52.429 52.037 0.053 0.000 0.789 277 A CB 0.228 19.253 19.000 0.042 0.000 1.025 277 A HN 0.819 nan 8.150 nan 0.000 0.490 278 N N 1.591 120.316 118.700 0.041 0.000 2.301 278 N HA -0.021 4.727 4.740 0.013 0.000 0.267 278 N C -1.738 173.777 175.510 0.007 0.000 1.304 278 N CA -1.101 51.981 53.050 0.054 0.000 0.851 278 N CB 0.665 39.238 38.487 0.144 0.000 1.070 278 N HN 0.206 nan 8.380 nan 0.000 0.483 279 P HA -0.116 nan 4.420 nan 0.000 0.219 279 P C 1.420 178.715 177.300 -0.007 0.000 1.146 279 P CA 1.038 64.146 63.100 0.013 0.000 0.808 279 P CB 0.273 31.989 31.700 0.026 0.000 0.779 280 L N -1.442 119.791 121.223 0.016 0.000 2.109 280 L HA -0.077 4.271 4.340 0.013 0.000 0.207 280 L C 2.451 179.176 176.870 -0.242 0.000 1.086 280 L CA 1.229 56.101 54.840 0.052 0.000 0.760 280 L CB -1.010 41.169 42.059 0.200 0.000 0.910 280 L HN -0.044 nan 8.230 nan 0.000 0.437 281 A N -0.175 122.339 122.820 -0.509 0.000 1.902 281 A HA -0.139 4.188 4.320 0.013 0.000 0.217 281 A C 2.319 179.594 177.584 -0.516 0.000 1.181 281 A CA 1.623 53.101 52.037 -0.931 0.000 0.623 281 A CB -0.756 17.808 19.000 -0.726 0.000 0.818 281 A HN 0.173 nan 8.150 nan 0.000 0.443 282 V N 0.523 120.274 119.914 -0.270 0.000 2.295 282 V HA -0.289 3.839 4.120 0.013 0.000 0.246 282 V C 2.333 178.358 176.094 -0.114 0.000 1.049 282 V CA 2.552 64.778 62.300 -0.123 0.000 1.024 282 V CB -0.886 30.956 31.823 0.032 0.000 0.648 282 V HN 0.740 nan 8.190 nan 0.000 0.447 283 D N -0.314 120.022 120.400 -0.107 0.000 2.104 283 D HA -0.205 4.443 4.640 0.013 0.000 0.194 283 D C 1.960 178.168 176.300 -0.153 0.000 0.994 283 D CA 1.358 55.320 54.000 -0.064 0.000 0.830 283 D CB -0.128 40.719 40.800 0.077 0.000 0.959 283 D HN 0.276 nan 8.370 nan 0.000 0.452 284 L N 0.149 121.160 121.223 -0.352 0.000 2.056 284 L HA -0.024 4.324 4.340 0.013 0.000 0.207 284 L C 2.118 178.808 176.870 -0.300 0.000 1.078 284 L CA 1.381 55.912 54.840 -0.515 0.000 0.749 284 L CB -0.544 41.037 42.059 -0.798 0.000 0.901 284 L HN 0.208 nan 8.230 nan 0.000 0.433 285 L N -0.653 120.400 121.223 -0.284 0.000 2.042 285 L HA -0.258 4.090 4.340 0.013 0.000 0.210 285 L C 2.513 179.355 176.870 -0.048 0.000 1.076 285 L CA 1.667 56.412 54.840 -0.158 0.000 0.749 285 L CB -0.613 41.321 42.059 -0.208 0.000 0.893 285 L HN 0.368 nan 8.230 nan 0.000 0.432 286 E N -0.055 120.016 120.200 -0.215 0.000 2.153 286 E HA -0.234 4.124 4.350 0.013 0.000 0.194 286 E C 2.069 178.535 176.600 -0.223 0.000 0.988 286 E CA 1.053 57.154 56.400 -0.497 0.000 0.811 286 E CB 0.025 29.375 29.700 -0.583 0.000 0.746 286 E HN 0.461 nan 8.360 nan 0.000 0.466 287 K N -0.246 120.073 120.400 -0.135 0.000 2.305 287 K HA 0.068 4.396 4.320 0.013 0.000 0.199 287 K C 1.946 178.542 176.600 -0.006 0.000 1.047 287 K CA 0.590 56.845 56.287 -0.053 0.000 0.976 287 K CB 0.184 32.667 32.500 -0.028 0.000 0.765 287 K HN 0.097 nan 8.250 nan 0.000 0.474 288 M N 0.171 119.754 119.600 -0.028 0.000 2.357 288 M HA 0.020 4.508 4.480 0.013 0.000 0.266 288 M C 0.724 177.049 176.300 0.042 0.000 1.095 288 M CA 0.969 56.274 55.300 0.009 0.000 1.156 288 M CB 0.270 32.843 32.600 -0.045 0.000 1.365 288 M HN -0.021 nan 8.290 nan 0.000 0.447 289 L N 1.622 122.840 121.223 -0.007 0.000 2.796 289 L HA 0.222 4.569 4.340 0.013 0.000 0.235 289 L C -0.763 176.258 176.870 0.252 0.000 1.344 289 L CA -0.629 54.173 54.840 -0.064 0.000 1.245 289 L CB -0.335 41.673 42.059 -0.085 0.000 1.556 289 L HN -0.061 nan 8.230 nan 0.000 0.423 290 V N 0.808 120.925 119.914 0.339 0.000 2.394 290 V HA 0.072 4.200 4.120 0.013 0.000 0.282 290 V C 1.075 177.428 176.094 0.432 0.000 1.031 290 V CA -0.503 61.983 62.300 0.309 0.000 0.881 290 V CB 2.229 34.160 31.823 0.180 0.000 0.982 290 V HN 0.375 nan 8.190 nan 0.000 0.451 291 L N 2.933 124.372 121.223 0.360 0.000 2.012 291 L HA -0.031 4.316 4.340 0.013 0.000 0.210 291 L C 1.284 178.272 176.870 0.198 0.000 1.073 291 L CA 1.769 56.772 54.840 0.272 0.000 0.748 291 L CB -0.299 41.898 42.059 0.231 0.000 0.891 291 L HN 0.798 nan 8.230 nan 0.000 0.431 292 D N -1.221 119.282 120.400 0.172 0.000 2.338 292 D HA 0.011 4.659 4.640 0.013 0.000 0.255 292 D C 1.417 177.801 176.300 0.140 0.000 1.237 292 D CA 0.736 54.818 54.000 0.137 0.000 0.883 292 D CB 1.220 42.078 40.800 0.098 0.000 1.087 292 D HN 0.377 nan 8.370 nan 0.000 0.485 293 S N 2.943 118.723 115.700 0.134 0.000 2.399 293 S HA -0.208 4.270 4.470 0.013 0.000 0.231 293 S C 1.259 175.925 174.600 0.111 0.000 1.022 293 S CA 0.779 59.057 58.200 0.130 0.000 0.983 293 S CB -0.006 63.261 63.200 0.112 0.000 0.803 293 S HN 0.436 nan 8.310 nan 0.000 0.480 294 D N 1.955 122.411 120.400 0.093 0.000 2.221 294 D HA -0.035 4.613 4.640 0.013 0.000 0.204 294 D C 1.656 178.000 176.300 0.074 0.000 0.982 294 D CA 1.122 55.167 54.000 0.074 0.000 0.857 294 D CB -0.154 40.682 40.800 0.061 0.000 0.934 294 D HN 0.600 nan 8.370 nan 0.000 0.475 295 K N -0.140 120.311 120.400 0.085 0.000 2.374 295 K HA 0.153 4.481 4.320 0.013 0.000 0.196 295 K C 0.534 177.187 176.600 0.088 0.000 1.023 295 K CA -0.224 56.110 56.287 0.078 0.000 1.103 295 K CB 0.802 33.345 32.500 0.071 0.000 0.848 295 K HN -0.007 nan 8.250 nan 0.000 0.528 296 R N 1.312 121.878 120.500 0.110 0.000 2.643 296 R HA 0.147 4.495 4.340 0.013 0.000 0.270 296 R C 0.359 176.716 176.300 0.095 0.000 1.061 296 R CA -0.218 55.953 56.100 0.119 0.000 1.107 296 R CB 0.551 30.947 30.300 0.161 0.000 0.999 296 R HN 0.099 nan 8.270 nan 0.000 0.460 297 I N 1.708 122.329 120.570 0.085 0.000 2.813 297 I HA -0.070 4.108 4.170 0.013 0.000 0.287 297 I C 0.767 176.940 176.117 0.093 0.000 1.196 297 I CA 0.449 61.798 61.300 0.082 0.000 1.421 297 I CB 0.793 38.836 38.000 0.071 0.000 1.365 297 I HN 0.736 nan 8.210 nan 0.000 0.591 298 T N 3.647 118.257 114.554 0.093 0.000 2.847 298 T HA 0.457 4.815 4.350 0.013 0.000 0.279 298 T C 1.042 175.801 174.700 0.098 0.000 0.984 298 T CA -0.177 61.988 62.100 0.108 0.000 0.988 298 T CB 1.586 70.514 68.868 0.101 0.000 1.040 298 T HN 0.704 nan 8.240 nan 0.000 0.528 299 A N 0.969 123.853 122.820 0.106 0.000 1.902 299 A HA 0.177 4.505 4.320 0.013 0.000 0.217 299 A C 2.662 180.260 177.584 0.024 0.000 1.181 299 A CA 1.899 53.954 52.037 0.029 0.000 0.623 299 A CB -1.608 17.367 19.000 -0.042 0.000 0.818 299 A HN 1.268 nan 8.150 nan 0.000 0.443 300 A N -0.696 122.158 122.820 0.056 0.000 1.908 300 A HA -0.243 4.085 4.320 0.013 0.000 0.218 300 A C 2.127 179.754 177.584 0.071 0.000 1.181 300 A CA 1.842 53.918 52.037 0.065 0.000 0.627 300 A CB -0.600 18.447 19.000 0.078 0.000 0.818 300 A HN 0.661 nan 8.150 nan 0.000 0.445 301 Q N -0.736 119.111 119.800 0.078 0.000 2.079 301 Q HA -0.017 4.331 4.340 0.013 0.000 0.200 301 Q C 2.393 178.461 176.000 0.114 0.000 0.974 301 Q CA 1.360 57.216 55.803 0.088 0.000 0.840 301 Q CB -0.385 28.407 28.738 0.090 0.000 0.898 301 Q HN 0.677 nan 8.270 nan 0.000 0.430 302 A N 0.773 123.665 122.820 0.120 0.000 1.972 302 A HA -0.142 4.186 4.320 0.013 0.000 0.219 302 A C 2.032 179.772 177.584 0.260 0.000 1.169 302 A CA 0.987 53.141 52.037 0.194 0.000 0.635 302 A CB -0.634 18.454 19.000 0.147 0.000 0.810 302 A HN 0.301 nan 8.150 nan 0.000 0.446 303 L N -0.989 120.282 121.223 0.080 0.000 2.127 303 L HA -0.190 4.157 4.340 0.013 0.000 0.211 303 L C 2.739 179.495 176.870 -0.190 0.000 1.089 303 L CA 1.044 55.892 54.840 0.013 0.000 0.757 303 L CB -0.331 41.742 42.059 0.023 0.000 0.899 303 L HN 0.436 nan 8.230 nan 0.000 0.434 304 A N -2.364 120.337 122.820 -0.197 0.000 2.251 304 A HA -0.049 4.279 4.320 0.013 0.000 0.209 304 A C 0.969 178.549 177.584 -0.005 0.000 1.187 304 A CA -0.114 51.733 52.037 -0.316 0.000 0.823 304 A CB -0.582 18.365 19.000 -0.089 0.000 0.846 304 A HN 0.316 nan 8.150 nan 0.000 0.486 305 H N 0.087 119.204 119.070 0.079 0.000 2.815 305 H HA 0.290 4.853 4.556 0.013 0.000 0.350 305 H C 1.424 176.813 175.328 0.102 0.000 1.080 305 H CA 0.471 56.583 56.048 0.107 0.000 1.433 305 H CB 1.175 31.025 29.762 0.146 0.000 1.432 305 H HN 0.159 nan 8.280 nan 0.000 0.592 306 A N 5.135 127.836 122.820 -0.198 0.000 2.076 306 A HA -0.256 4.071 4.320 0.013 0.000 0.220 306 A C 1.973 179.620 177.584 0.105 0.000 1.160 306 A CA 1.266 53.279 52.037 -0.040 0.000 0.653 306 A CB -0.894 18.028 19.000 -0.130 0.000 0.801 306 A HN 0.855 nan 8.150 nan 0.000 0.455 307 Y N -0.411 119.938 120.300 0.082 0.000 2.241 307 Y HA -0.200 4.357 4.550 0.013 0.000 0.286 307 Y C 0.929 176.648 175.900 -0.302 0.000 1.166 307 Y CA 1.443 59.424 58.100 -0.199 0.000 1.203 307 Y CB -0.336 37.827 38.460 -0.496 0.000 0.977 307 Y HN 0.321 nan 8.280 nan 0.000 0.529 308 F N -0.938 119.131 119.950 0.198 0.000 2.668 308 F HA 0.385 4.920 4.527 0.014 0.000 0.297 308 F C 1.922 177.783 175.800 0.101 0.000 1.124 308 F CA 0.101 58.181 58.000 0.134 0.000 1.353 308 F CB -0.926 38.233 39.000 0.265 0.000 0.992 308 F HN 0.054 nan 8.300 nan 0.000 0.524 309 A N -0.096 122.816 122.820 0.154 0.000 1.948 309 A HA -0.221 4.107 4.320 0.013 0.000 0.220 309 A C 2.245 179.833 177.584 0.006 0.000 1.177 309 A CA 1.581 53.677 52.037 0.097 0.000 0.636 309 A CB -0.299 18.724 19.000 0.038 0.000 0.815 309 A HN 0.277 nan 8.150 nan 0.000 0.449 310 Q N -2.002 117.737 119.800 -0.102 0.000 2.297 310 Q HA -0.069 4.279 4.340 0.013 0.000 0.204 310 Q C 1.112 176.788 176.000 -0.539 0.000 0.962 310 Q CA 1.264 56.856 55.803 -0.351 0.000 0.879 310 Q CB -0.241 28.180 28.738 -0.528 0.000 0.947 310 Q HN 0.913 nan 8.270 nan 0.000 0.462 311 Y N -1.787 118.414 120.300 -0.165 0.000 2.535 311 Y HA 0.102 4.659 4.550 0.012 0.000 0.264 311 Y C 0.818 176.439 175.900 -0.464 0.000 1.087 311 Y CA -0.586 57.244 58.100 -0.450 0.000 1.285 311 Y CB -0.027 37.920 38.460 -0.856 0.000 1.200 311 Y HN 0.098 nan 8.280 nan 0.000 0.514 312 H N 1.785 120.784 119.070 -0.117 0.000 2.964 312 H HA 0.209 4.773 4.556 0.014 0.000 0.328 312 H C -0.979 174.406 175.328 0.095 0.000 1.030 312 H CA 0.099 56.210 56.048 0.105 0.000 1.445 312 H CB 0.315 30.204 29.762 0.211 0.000 1.449 312 H HN 0.052 nan 8.280 nan 0.000 0.581 313 D N 6.638 126.928 120.400 -0.184 0.000 2.386 313 D HA 0.159 4.807 4.640 0.013 0.000 0.247 313 D C -2.182 173.972 176.300 -0.244 0.000 1.336 313 D CA -2.027 51.821 54.000 -0.252 0.000 0.976 313 D CB 1.630 42.402 40.800 -0.047 0.000 1.257 313 D HN 0.355 nan 8.370 nan 0.000 0.570 314 P HA -0.032 nan 4.420 nan 0.000 0.225 314 P C 0.289 177.588 177.300 -0.001 0.000 1.148 314 P CA 0.641 63.683 63.100 -0.098 0.000 0.779 314 P CB 0.598 32.271 31.700 -0.046 0.000 0.780 315 D N -0.712 119.676 120.400 -0.020 0.000 2.339 315 D HA -0.005 4.643 4.640 0.013 0.000 0.217 315 D C 0.354 176.669 176.300 0.025 0.000 1.050 315 D CA 0.663 54.669 54.000 0.010 0.000 0.856 315 D CB 0.028 40.828 40.800 -0.000 0.000 0.922 315 D HN 0.143 nan 8.370 nan 0.000 0.518 316 D N 0.459 120.881 120.400 0.037 0.000 2.908 316 D HA 0.079 4.727 4.640 0.013 0.000 0.361 316 D C -0.697 175.657 176.300 0.090 0.000 1.416 316 D CA -0.105 53.926 54.000 0.053 0.000 0.796 316 D CB 0.100 40.930 40.800 0.050 0.000 1.185 316 D HN -0.104 nan 8.370 nan 0.000 0.451 317 E N 1.485 121.750 120.200 0.109 0.000 3.374 317 E HA 0.232 4.590 4.350 0.013 0.000 0.223 317 E C -2.379 174.322 176.600 0.168 0.000 1.210 317 E CA -1.529 54.958 56.400 0.146 0.000 0.987 317 E CB 1.474 31.275 29.700 0.167 0.000 1.322 317 E HN 0.219 nan 8.360 nan 0.000 0.404 318 P HA 0.043 nan 4.420 nan 0.000 0.274 318 P C 0.016 177.516 177.300 0.333 0.000 1.237 318 P CA -0.334 62.901 63.100 0.226 0.000 0.793 318 P CB 1.040 32.859 31.700 0.199 0.000 0.977 319 V N -1.924 118.138 119.914 0.246 0.000 3.093 319 V HA 0.883 5.011 4.120 0.013 0.000 0.320 319 V C -0.045 176.099 176.094 0.083 0.000 1.093 319 V CA -1.210 61.183 62.300 0.154 0.000 1.016 319 V CB 0.926 32.791 31.823 0.069 0.000 1.096 319 V HN 0.738 nan 8.190 nan 0.000 0.452 320 A N 0.796 123.450 122.820 -0.277 0.000 2.269 320 A HA 0.627 4.955 4.320 0.013 0.000 0.319 320 A C -0.162 177.381 177.584 -0.068 0.000 1.110 320 A CA -0.651 51.135 52.037 -0.419 0.000 0.847 320 A CB 0.219 18.628 19.000 -0.986 0.000 1.161 320 A HN 0.954 nan 8.150 nan 0.000 0.497 321 D N 1.513 121.924 120.400 0.017 0.000 2.400 321 D HA 0.273 4.921 4.640 0.013 0.000 0.238 321 D C -2.136 174.320 176.300 0.260 0.000 1.157 321 D CA -0.519 53.554 54.000 0.122 0.000 0.889 321 D CB 0.162 41.027 40.800 0.110 0.000 1.199 321 D HN 0.287 nan 8.370 nan 0.000 0.436 322 P HA -0.016 nan 4.420 nan 0.000 0.268 322 P C -0.871 176.539 177.300 0.184 0.000 1.205 322 P CA -0.091 63.103 63.100 0.156 0.000 0.771 322 P CB 0.210 31.965 31.700 0.092 0.000 0.858 323 Y N 2.425 122.646 120.300 -0.132 0.000 2.342 323 Y HA 0.253 4.810 4.550 0.012 0.000 0.338 323 Y C -0.036 175.791 175.900 -0.122 0.000 0.965 323 Y CA -0.869 57.010 58.100 -0.368 0.000 1.159 323 Y CB 0.660 38.758 38.460 -0.602 0.000 1.157 323 Y HN 0.251 nan 8.280 nan 0.000 0.486 324 D N 5.948 126.064 120.400 -0.474 0.000 2.352 324 D HA 0.052 4.700 4.640 0.013 0.000 0.245 324 D C -0.314 175.680 176.300 -0.510 0.000 1.224 324 D CA -0.022 53.775 54.000 -0.339 0.000 0.879 324 D CB 0.791 41.508 40.800 -0.138 0.000 1.057 324 D HN 0.833 nan 8.370 nan 0.000 0.491 325 Q N 1.652 121.231 119.800 -0.368 0.000 2.225 325 Q HA 0.105 4.453 4.340 0.013 0.000 0.259 325 Q C 1.126 176.973 176.000 -0.255 0.000 0.872 325 Q CA -0.381 55.246 55.803 -0.294 0.000 1.042 325 Q CB 0.156 28.756 28.738 -0.229 0.000 1.142 325 Q HN 0.341 nan 8.270 nan 0.000 0.463 326 S N 0.904 116.555 115.700 -0.083 0.000 2.419 326 S HA -0.241 4.236 4.470 0.013 0.000 0.235 326 S C 1.698 176.311 174.600 0.020 0.000 1.019 326 S CA 1.055 59.233 58.200 -0.036 0.000 0.982 326 S CB -0.918 62.290 63.200 0.014 0.000 0.789 326 S HN 0.671 nan 8.310 nan 0.000 0.490 327 F N 2.303 122.325 119.950 0.119 0.000 2.250 327 F HA 0.057 4.591 4.527 0.012 0.000 0.301 327 F C 2.021 178.001 175.800 0.300 0.000 1.077 327 F CA 1.121 59.285 58.000 0.272 0.000 1.348 327 F CB -0.677 38.622 39.000 0.498 0.000 1.040 327 F HN 0.060 nan 8.300 nan 0.000 0.509 328 E N 1.142 120.922 120.200 -0.701 0.000 2.153 328 E HA -0.176 4.182 4.350 0.013 0.000 0.194 328 E C 2.339 178.877 176.600 -0.104 0.000 0.988 328 E CA 1.496 57.605 56.400 -0.485 0.000 0.811 328 E CB -0.534 28.848 29.700 -0.530 0.000 0.746 328 E HN 0.652 nan 8.360 nan 0.000 0.466 329 S N 0.106 115.773 115.700 -0.055 0.000 2.603 329 S HA 0.057 4.535 4.470 0.013 0.000 0.220 329 S C 0.886 175.527 174.600 0.070 0.000 0.967 329 S CA -0.091 58.111 58.200 0.004 0.000 0.920 329 S CB 0.065 63.254 63.200 -0.018 0.000 0.773 329 S HN 0.019 nan 8.310 nan 0.000 0.529 330 R N 1.495 122.091 120.500 0.161 0.000 2.407 330 R HA 0.410 4.757 4.340 0.013 0.000 0.303 330 R C -1.281 175.177 176.300 0.264 0.000 0.981 330 R CA -0.493 55.707 56.100 0.166 0.000 0.905 330 R CB 0.772 31.145 30.300 0.122 0.000 1.099 330 R HN 0.268 nan 8.270 nan 0.000 0.459 331 D N 4.602 125.085 120.400 0.139 0.000 2.467 331 D HA 0.235 4.883 4.640 0.013 0.000 0.220 331 D C -0.162 176.153 176.300 0.026 0.000 1.103 331 D CA -0.053 54.043 54.000 0.160 0.000 0.886 331 D CB 1.138 41.998 40.800 0.101 0.000 1.025 331 D HN 0.209 nan 8.370 nan 0.000 0.514 332 L N 1.235 122.431 121.223 -0.045 0.000 2.304 332 L HA 0.522 4.870 4.340 0.013 0.000 0.268 332 L C 0.509 177.278 176.870 -0.168 0.000 1.010 332 L CA -1.086 53.521 54.840 -0.389 0.000 0.813 332 L CB 1.316 42.677 42.059 -1.162 0.000 1.315 332 L HN 0.025 nan 8.230 nan 0.000 0.445 333 L N 0.662 121.773 121.223 -0.186 0.000 2.456 333 L HA 0.242 4.590 4.340 0.013 0.000 0.257 333 L C 1.343 178.237 176.870 0.039 0.000 1.162 333 L CA -0.284 54.536 54.840 -0.033 0.000 0.808 333 L CB 0.739 42.765 42.059 -0.055 0.000 1.136 333 L HN 0.558 nan 8.230 nan 0.000 0.466 334 I N 0.400 121.048 120.570 0.130 0.000 2.151 334 I HA -0.313 3.865 4.170 0.013 0.000 0.243 334 I C 1.688 177.855 176.117 0.085 0.000 1.080 334 I CA 1.452 62.866 61.300 0.191 0.000 1.339 334 I CB -0.192 37.894 38.000 0.143 0.000 1.039 334 I HN 0.742 nan 8.210 nan 0.000 0.409 335 D N 0.437 120.831 120.400 -0.011 0.000 2.219 335 D HA -0.151 4.497 4.640 0.013 0.000 0.205 335 D C 2.094 178.331 176.300 -0.105 0.000 0.970 335 D CA 1.009 54.964 54.000 -0.074 0.000 0.851 335 D CB -0.134 40.622 40.800 -0.073 0.000 0.943 335 D HN 0.461 nan 8.370 nan 0.000 0.488 336 E N -0.493 119.617 120.200 -0.149 0.000 2.046 336 E HA -0.124 4.234 4.350 0.013 0.000 0.190 336 E C 2.086 178.524 176.600 -0.271 0.000 0.982 336 E CA 0.605 56.850 56.400 -0.259 0.000 0.800 336 E CB -0.146 29.322 29.700 -0.387 0.000 0.756 336 E HN 0.404 nan 8.360 nan 0.000 0.449 337 W N 1.682 122.917 121.300 -0.108 0.000 2.358 337 W HA -0.147 4.520 4.660 0.012 0.000 0.303 337 W C 2.484 178.958 176.519 -0.076 0.000 1.208 337 W CA 0.717 57.991 57.345 -0.118 0.000 1.274 337 W CB 0.000 29.472 29.460 0.020 0.000 1.138 337 W HN 0.003 nan 8.180 nan 0.000 0.515 338 K N 0.235 120.665 120.400 0.050 0.000 2.057 338 K HA -0.220 4.107 4.320 0.013 0.000 0.207 338 K C 2.323 178.895 176.600 -0.047 0.000 1.049 338 K CA 1.767 57.848 56.287 -0.343 0.000 0.931 338 K CB -0.500 31.570 32.500 -0.717 0.000 0.714 338 K HN 0.001 nan 8.250 nan 0.000 0.440 339 S N 0.576 116.253 115.700 -0.039 0.000 2.368 339 S HA -0.068 4.410 4.470 0.013 0.000 0.224 339 S C 1.951 176.593 174.600 0.071 0.000 1.029 339 S CA 0.910 59.122 58.200 0.019 0.000 0.988 339 S CB -0.220 62.956 63.200 -0.041 0.000 0.838 339 S HN 0.354 nan 8.310 nan 0.000 0.462 340 L N 0.761 121.983 121.223 -0.001 0.000 2.046 340 L HA -0.111 4.237 4.340 0.013 0.000 0.208 340 L C 2.763 179.779 176.870 0.243 0.000 1.077 340 L CA 1.662 56.498 54.840 -0.007 0.000 0.747 340 L CB -1.014 40.811 42.059 -0.391 0.000 0.896 340 L HN 0.355 nan 8.230 nan 0.000 0.432 341 T N -1.503 113.272 114.554 0.369 0.000 2.708 341 T HA -0.252 4.106 4.350 0.013 0.000 0.266 341 T C 1.688 176.597 174.700 0.348 0.000 1.037 341 T CA 1.370 63.793 62.100 0.538 0.000 1.146 341 T CB -0.394 68.922 68.868 0.747 0.000 0.865 341 T HN 0.274 nan 8.240 nan 0.000 0.435 342 Y N 2.354 122.701 120.300 0.077 0.000 2.165 342 Y HA -0.188 4.371 4.550 0.014 0.000 0.286 342 Y C 2.025 177.826 175.900 -0.165 0.000 1.155 342 Y CA 1.411 59.287 58.100 -0.374 0.000 1.164 342 Y CB -0.530 37.626 38.460 -0.507 0.000 0.978 342 Y HN 0.138 nan 8.280 nan 0.000 0.513 343 D N -0.043 120.336 120.400 -0.035 0.000 2.123 343 D HA -0.173 4.475 4.640 0.013 0.000 0.196 343 D C 2.032 178.308 176.300 -0.039 0.000 0.992 343 D CA 1.595 55.560 54.000 -0.059 0.000 0.833 343 D CB -0.160 40.663 40.800 0.039 0.000 0.954 343 D HN 0.457 nan 8.370 nan 0.000 0.455 344 E N 0.186 120.421 120.200 0.058 0.000 2.152 344 E HA -0.066 4.291 4.350 0.013 0.000 0.192 344 E C 2.413 179.049 176.600 0.059 0.000 0.983 344 E CA 0.206 56.660 56.400 0.091 0.000 0.818 344 E CB -0.141 29.645 29.700 0.143 0.000 0.758 344 E HN 0.182 nan 8.360 nan 0.000 0.467 345 V N 2.586 122.485 119.914 -0.024 0.000 2.270 345 V HA -0.234 3.894 4.120 0.013 0.000 0.245 345 V C 2.570 178.623 176.094 -0.068 0.000 1.043 345 V CA 1.891 64.162 62.300 -0.048 0.000 1.014 345 V CB -0.674 31.079 31.823 -0.117 0.000 0.645 345 V HN 0.336 nan 8.190 nan 0.000 0.447 346 I N 0.193 120.600 120.570 -0.270 0.000 2.614 346 I HA -0.089 4.089 4.170 0.013 0.000 0.258 346 I C 2.154 178.238 176.117 -0.056 0.000 1.189 346 I CA 1.792 62.958 61.300 -0.223 0.000 1.462 346 I CB -0.515 37.212 38.000 -0.454 0.000 1.092 346 I HN 0.394 nan 8.210 nan 0.000 0.442 347 S N 0.246 115.937 115.700 -0.015 0.000 2.575 347 S HA 0.108 4.586 4.470 0.013 0.000 0.215 347 S C 0.600 175.243 174.600 0.073 0.000 0.966 347 S CA -0.608 57.605 58.200 0.023 0.000 0.911 347 S CB -0.866 62.346 63.200 0.019 0.000 0.780 347 S HN 0.448 nan 8.310 nan 0.000 0.514 348 F N 2.920 122.867 119.950 -0.006 0.000 2.578 348 F HA 0.397 4.933 4.527 0.015 0.000 0.376 348 F C -0.351 175.465 175.800 0.027 0.000 1.085 348 F CA -0.254 57.759 58.000 0.022 0.000 1.260 348 F CB 0.606 39.630 39.000 0.040 0.000 1.095 348 F HN -0.068 nan 8.300 nan 0.000 0.573 349 V N 8.478 127.869 119.914 -0.870 0.000 2.444 349 V HA 0.349 4.477 4.120 0.013 0.000 0.294 349 V C -1.895 173.591 176.094 -1.013 0.000 1.022 349 V CA -1.639 60.267 62.300 -0.656 0.000 0.850 349 V CB 1.445 33.076 31.823 -0.320 0.000 0.992 349 V HN 0.703 nan 8.190 nan 0.000 0.426 350 P HA 0.295 nan 4.420 nan 0.000 0.272 350 P C -2.705 174.509 177.300 -0.143 0.000 1.230 350 P CA -1.286 61.685 63.100 -0.214 0.000 0.788 350 P CB -0.171 31.573 31.700 0.074 0.000 0.949 351 P HA 0.209 nan 4.420 nan 0.000 0.268 351 P C -2.147 175.148 177.300 -0.009 0.000 1.208 351 P CA -0.602 62.495 63.100 -0.005 0.000 0.777 351 P CB -1.164 30.568 31.700 0.052 0.000 0.875 352 P HA 0.000 nan 4.420 nan 0.000 0.216 352 P CA 0.000 63.094 63.100 -0.010 0.000 0.800 352 P CB 0.000 31.693 31.700 -0.011 0.000 0.726