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 3lp2_1_A DATA FIRST_RESID 0 DATA SEQUENCE SPISPIETVP VKLKPGMDGP KVKQWPLTEE KIKALVEICT EMEKEGKISK DATA SEQUENCE IGPENPYNTP VFAIKXXXXT KWRKLVDFRE LNKRTQDFWE VQLGIPHPAG DATA SEQUENCE LKKNKSVTVL DVGDAYFSVP LDEDFRKYTA FTIPSINNET PGIRYQYNVL DATA SEQUENCE PQGWKGSPAI FQSSMTKILE PFRKQNPDIV IYQYMDDLYV GSDLEIGQHR DATA SEQUENCE TKIEELRQHL LRWGLTTPDK KHQKEPPFLW MGYELHPDKW TVQPIVLPEK DATA SEQUENCE DSWTVNDIQK LVGKLNWASQ IYPGIKVRQL CKLLRGTKAL TEVIPLTEEA DATA SEQUENCE ELELAENREI LKEPVHGVYY DPSKDLIAEI QKQGQGQWTY QIYQEPFKNL DATA SEQUENCE KTGKYARMRG AHTNDVKQLT EAVQKITTES IVIWGKTPKF KLPIQKETWE DATA SEQUENCE TWWTEYWQAT WIPEWEFVNT PPLVKLWYQL EKEPIVGAET FYVDGAANRE DATA SEQUENCE TKLGKAGYVT NRGRQKVVTL TDTTNQKTEL QAIYLALQDS GLEVNIVTDS DATA SEQUENCE QYALGIIQAQ PDQSESELVN QIIEQLIKKE KVYLAWVPAH KGIGGNEQVD DATA SEQUENCE KLVSAGIR 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.630 174.600 0.049 0.000 1.055 0 S CA 0.000 58.222 58.200 0.036 0.000 1.107 0 S CB 0.000 63.229 63.200 0.048 0.000 0.593 1 P HA 0.707 nan 4.420 nan 0.000 0.272 1 P C -0.900 176.456 177.300 0.093 0.000 1.240 1 P CA -0.378 62.758 63.100 0.060 0.000 0.791 1 P CB 0.380 32.111 31.700 0.051 0.000 0.978 2 I N 0.086 120.712 120.570 0.094 0.000 2.411 2 I HA 0.165 4.335 4.170 0.000 0.000 0.284 2 I C 0.464 176.656 176.117 0.124 0.000 1.012 2 I CA -0.297 61.078 61.300 0.125 0.000 1.119 2 I CB 1.306 39.380 38.000 0.124 0.000 1.261 2 I HN 0.218 nan 8.210 nan 0.000 0.448 3 S N 7.885 123.678 115.700 0.155 0.000 2.573 3 S HA 0.063 4.533 4.470 0.000 0.000 0.297 3 S C -1.166 173.541 174.600 0.179 0.000 1.280 3 S CA -0.556 57.753 58.200 0.182 0.000 1.061 3 S CB 0.516 63.845 63.200 0.215 0.000 0.812 3 S HN 0.526 nan 8.310 nan 0.000 0.500 4 P HA 0.069 nan 4.420 nan 0.000 0.245 4 P C 0.814 178.279 177.300 0.274 0.000 1.212 4 P CA -0.092 63.108 63.100 0.167 0.000 0.774 4 P CB -0.396 31.331 31.700 0.045 0.000 0.999 5 I N -1.467 119.315 120.570 0.354 0.000 3.045 5 I HA 0.107 4.277 4.170 0.000 0.000 0.288 5 I C 0.233 176.453 176.117 0.172 0.000 1.238 5 I CA -0.060 61.410 61.300 0.284 0.000 1.396 5 I CB -0.146 37.919 38.000 0.107 0.000 1.355 5 I HN -0.101 nan 8.210 nan 0.000 0.601 6 E N 2.510 122.786 120.200 0.126 0.000 2.437 6 E HA 0.020 4.370 4.350 0.000 0.000 0.263 6 E C -0.107 176.544 176.600 0.085 0.000 1.030 6 E CA 0.165 56.622 56.400 0.096 0.000 0.934 6 E CB 0.471 30.213 29.700 0.072 0.000 0.943 6 E HN 0.658 nan 8.360 nan 0.000 0.444 7 T N 1.232 115.839 114.554 0.089 0.000 2.882 7 T HA 0.195 4.546 4.350 0.000 0.000 0.287 7 T C -0.483 174.268 174.700 0.085 0.000 1.014 7 T CA -0.632 61.523 62.100 0.093 0.000 1.049 7 T CB 0.692 69.620 68.868 0.100 0.000 1.001 7 T HN 0.103 nan 8.240 nan 0.000 0.525 8 V N 6.850 126.820 119.914 0.094 0.000 2.333 8 V HA 0.305 4.426 4.120 0.000 0.000 0.274 8 V C -2.085 174.076 176.094 0.112 0.000 1.028 8 V CA -1.872 60.485 62.300 0.096 0.000 0.851 8 V CB 0.967 32.850 31.823 0.100 0.000 1.000 8 V HN 0.788 nan 8.190 nan 0.000 0.456 9 P HA 0.099 nan 4.420 nan 0.000 0.261 9 P C -0.649 176.702 177.300 0.085 0.000 1.183 9 P CA 0.388 63.545 63.100 0.095 0.000 0.761 9 P CB 0.476 32.220 31.700 0.073 0.000 0.785 10 V N 4.868 124.826 119.914 0.074 0.000 2.680 10 V HA 0.491 4.612 4.120 0.000 0.000 0.309 10 V C 0.103 176.214 176.094 0.029 0.000 1.052 10 V CA -0.664 61.615 62.300 -0.035 0.000 0.908 10 V CB 2.272 33.914 31.823 -0.302 0.000 1.001 10 V HN 0.379 nan 8.190 nan 0.000 0.431 11 K N 3.041 123.425 120.400 -0.026 0.000 2.395 11 K HA 0.665 4.985 4.320 0.000 0.000 0.247 11 K C -0.974 175.675 176.600 0.082 0.000 0.973 11 K CA -0.764 55.568 56.287 0.075 0.000 0.828 11 K CB 2.831 35.338 32.500 0.011 0.000 1.272 11 K HN 0.445 nan 8.250 nan 0.000 0.439 12 L N 1.643 122.921 121.223 0.093 0.000 2.439 12 L HA 0.253 4.593 4.340 0.000 0.000 0.261 12 L C 0.722 177.581 176.870 -0.017 0.000 1.153 12 L CA -0.441 54.409 54.840 0.018 0.000 0.808 12 L CB 0.461 42.436 42.059 -0.139 0.000 1.126 12 L HN 0.327 nan 8.230 nan 0.000 0.460 13 K N 2.213 122.600 120.400 -0.022 0.000 2.524 13 K HA 0.050 4.370 4.320 0.000 0.000 0.279 13 K C -2.227 174.363 176.600 -0.017 0.000 0.993 13 K CA -1.287 54.983 56.287 -0.028 0.000 1.030 13 K CB -0.083 32.406 32.500 -0.018 0.000 0.891 13 K HN 0.258 nan 8.250 nan 0.000 0.488 14 P HA -0.111 nan 4.420 nan 0.000 0.261 14 P C 0.304 177.606 177.300 0.004 0.000 1.173 14 P CA 0.915 64.012 63.100 -0.004 0.000 0.760 14 P CB 0.352 32.049 31.700 -0.006 0.000 0.783 15 G N 2.439 111.246 108.800 0.012 0.000 2.249 15 G HA2 -0.275 3.685 3.960 0.000 0.000 0.273 15 G HA3 -0.275 3.685 3.960 0.000 0.000 0.273 15 G C -0.071 174.842 174.900 0.021 0.000 1.036 15 G CA -0.081 45.031 45.100 0.020 0.000 0.824 15 G HN 0.469 nan 8.290 nan 0.000 0.504 16 M N -0.227 119.381 119.600 0.013 0.000 2.395 16 M HA 0.398 4.879 4.480 0.000 0.000 0.307 16 M C -0.663 175.638 176.300 0.001 0.000 1.091 16 M CA -0.885 54.421 55.300 0.011 0.000 0.919 16 M CB 1.934 34.534 32.600 0.000 0.000 1.662 16 M HN 0.101 nan 8.290 nan 0.000 0.440 17 D N 1.136 121.556 120.400 0.033 0.000 2.340 17 D HA 0.525 5.165 4.640 0.000 0.000 0.251 17 D C 0.198 176.491 176.300 -0.013 0.000 1.080 17 D CA 0.167 54.206 54.000 0.066 0.000 0.971 17 D CB 1.537 42.441 40.800 0.174 0.000 1.137 17 D HN 0.707 nan 8.370 nan 0.000 0.475 18 G N 0.591 109.325 108.800 -0.111 0.000 2.716 18 G HA2 0.250 4.210 3.960 0.000 0.000 0.251 18 G HA3 0.250 4.210 3.960 0.000 0.000 0.251 18 G C -2.203 172.721 174.900 0.039 0.000 1.224 18 G CA -0.752 44.160 45.100 -0.314 0.000 0.891 18 G HN 0.436 nan 8.290 nan 0.000 0.561 19 P HA 0.251 nan 4.420 nan 0.000 0.275 19 P C -0.766 176.694 177.300 0.266 0.000 1.227 19 P CA -0.062 63.139 63.100 0.169 0.000 0.781 19 P CB 1.141 32.942 31.700 0.169 0.000 0.906 20 K N 1.522 122.047 120.400 0.208 0.000 3.309 20 K HA 0.247 4.567 4.320 0.000 0.000 0.187 20 K C -0.442 176.237 176.600 0.132 0.000 1.085 20 K CA -0.468 55.929 56.287 0.184 0.000 0.867 20 K CB 1.148 33.746 32.500 0.164 0.000 0.846 20 K HN 0.226 nan 8.250 nan 0.000 0.522 21 V N 1.834 121.828 119.914 0.133 0.000 2.498 21 V HA 0.241 4.361 4.120 0.000 0.000 0.279 21 V C -0.170 175.994 176.094 0.116 0.000 1.048 21 V CA -0.541 61.827 62.300 0.113 0.000 0.967 21 V CB 0.553 32.438 31.823 0.103 0.000 0.988 21 V HN 0.460 nan 8.190 nan 0.000 0.473 22 K N 4.605 125.072 120.400 0.111 0.000 2.414 22 K HA 0.236 4.556 4.320 0.000 0.000 0.272 22 K C -0.182 176.505 176.600 0.145 0.000 0.993 22 K CA -0.170 56.186 56.287 0.114 0.000 0.964 22 K CB 0.499 33.063 32.500 0.107 0.000 0.925 22 K HN 0.700 nan 8.250 nan 0.000 0.487 23 Q N 3.485 123.365 119.800 0.134 0.000 2.288 23 Q HA 0.061 4.402 4.340 0.000 0.000 0.258 23 Q C -1.423 174.691 176.000 0.190 0.000 0.957 23 Q CA -0.437 55.465 55.803 0.165 0.000 0.919 23 Q CB 0.670 29.489 28.738 0.136 0.000 1.185 23 Q HN 0.748 nan 8.270 nan 0.000 0.408 24 W N 7.004 128.336 121.300 0.052 0.000 2.216 24 W HA 0.285 4.945 4.660 0.000 0.000 0.326 24 W C -2.314 174.242 176.519 0.062 0.000 1.319 24 W CA -2.084 55.288 57.345 0.045 0.000 1.213 24 W CB 0.794 30.272 29.460 0.030 0.000 1.171 24 W HN 0.574 nan 8.180 nan 0.000 0.557 25 P HA -0.069 nan 4.420 nan 0.000 0.260 25 P C -0.492 176.730 177.300 -0.131 0.000 1.185 25 P CA 0.331 63.205 63.100 -0.378 0.000 0.763 25 P CB 0.294 31.657 31.700 -0.563 0.000 0.776 26 L N 3.198 124.441 121.223 0.033 0.000 2.332 26 L HA 0.465 4.805 4.340 0.000 0.000 0.269 26 L C 0.996 177.909 176.870 0.071 0.000 1.016 26 L CA -0.378 54.546 54.840 0.139 0.000 0.809 26 L CB 0.804 42.953 42.059 0.149 0.000 1.280 26 L HN 0.324 nan 8.230 nan 0.000 0.447 27 T N -2.516 112.093 114.554 0.092 0.000 2.860 27 T HA 0.161 4.511 4.350 0.000 0.000 0.299 27 T C 0.955 175.649 174.700 -0.009 0.000 1.045 27 T CA -0.464 61.665 62.100 0.048 0.000 1.071 27 T CB 0.492 69.405 68.868 0.075 0.000 0.985 27 T HN 0.598 nan 8.240 nan 0.000 0.537 28 E N 0.340 120.529 120.200 -0.017 0.000 2.160 28 E HA -0.198 4.152 4.350 0.000 0.000 0.195 28 E C 1.987 178.532 176.600 -0.092 0.000 0.991 28 E CA 1.219 57.592 56.400 -0.045 0.000 0.810 28 E CB -0.015 29.668 29.700 -0.029 0.000 0.742 28 E HN 0.890 nan 8.360 nan 0.000 0.466 29 E N 1.330 121.478 120.200 -0.087 0.000 2.047 29 E HA -0.201 4.149 4.350 0.000 0.000 0.191 29 E C 1.852 178.192 176.600 -0.434 0.000 0.987 29 E CA 1.088 57.390 56.400 -0.163 0.000 0.799 29 E CB 0.175 29.869 29.700 -0.010 0.000 0.752 29 E HN 0.063 nan 8.360 nan 0.000 0.449 30 K N 0.168 120.353 120.400 -0.358 0.000 2.057 30 K HA -0.080 4.240 4.320 0.000 0.000 0.206 30 K C 2.169 178.558 176.600 -0.353 0.000 1.050 30 K CA 1.197 57.194 56.287 -0.483 0.000 0.935 30 K CB -0.067 32.316 32.500 -0.195 0.000 0.715 30 K HN 0.169 nan 8.250 nan 0.000 0.439 31 I N 1.279 121.734 120.570 -0.192 0.000 2.163 31 I HA -0.333 3.837 4.170 0.000 0.000 0.243 31 I C 2.530 178.554 176.117 -0.155 0.000 1.085 31 I CA 1.292 62.521 61.300 -0.118 0.000 1.347 31 I CB -0.215 37.748 38.000 -0.061 0.000 1.044 31 I HN 0.166 nan 8.210 nan 0.000 0.408 32 K N 1.196 121.478 120.400 -0.197 0.000 2.009 32 K HA -0.246 4.075 4.320 0.000 0.000 0.210 32 K C 2.217 178.667 176.600 -0.249 0.000 1.049 32 K CA 1.820 57.993 56.287 -0.189 0.000 0.929 32 K CB -0.192 32.200 32.500 -0.181 0.000 0.714 32 K HN 0.311 nan 8.250 nan 0.000 0.440 33 A N 1.394 123.944 122.820 -0.450 0.000 1.908 33 A HA -0.149 4.171 4.320 0.000 0.000 0.218 33 A C 2.165 179.582 177.584 -0.278 0.000 1.181 33 A CA 1.374 53.100 52.037 -0.517 0.000 0.627 33 A CB -0.624 17.659 19.000 -1.194 0.000 0.818 33 A HN 0.351 nan 8.150 nan 0.000 0.445 34 L N -0.615 120.469 121.223 -0.232 0.000 2.083 34 L HA -0.164 4.176 4.340 0.000 0.000 0.209 34 L C 2.515 179.354 176.870 -0.051 0.000 1.083 34 L CA 1.031 55.813 54.840 -0.095 0.000 0.752 34 L CB -0.489 41.551 42.059 -0.033 0.000 0.899 34 L HN 0.267 nan 8.230 nan 0.000 0.433 35 V N -0.261 119.621 119.914 -0.053 0.000 2.358 35 V HA -0.262 3.858 4.120 0.000 0.000 0.246 35 V C 2.306 178.380 176.094 -0.034 0.000 1.047 35 V CA 1.722 64.016 62.300 -0.011 0.000 1.035 35 V CB -0.338 31.477 31.823 -0.013 0.000 0.658 35 V HN 0.423 nan 8.190 nan 0.000 0.452 36 E N -0.073 120.088 120.200 -0.065 0.000 2.047 36 E HA -0.157 4.193 4.350 0.000 0.000 0.191 36 E C 2.147 178.711 176.600 -0.060 0.000 0.987 36 E CA 1.368 57.733 56.400 -0.057 0.000 0.799 36 E CB -0.189 29.474 29.700 -0.063 0.000 0.752 36 E HN 0.535 nan 8.360 nan 0.000 0.449 37 I N 0.361 120.890 120.570 -0.069 0.000 2.163 37 I HA -0.361 3.810 4.170 0.000 0.000 0.243 37 I C 2.274 178.317 176.117 -0.122 0.000 1.085 37 I CA 0.785 62.041 61.300 -0.073 0.000 1.347 37 I CB -0.213 37.757 38.000 -0.050 0.000 1.044 37 I HN 0.294 nan 8.210 nan 0.000 0.408 38 C N 0.422 119.630 119.300 -0.154 0.000 2.453 38 C HA -0.147 4.313 4.460 0.000 0.000 0.277 38 C C 3.160 177.989 174.990 -0.268 0.000 1.262 38 C CA 1.660 60.482 59.018 -0.326 0.000 1.718 38 C CB -1.238 26.188 27.740 -0.523 0.000 2.031 38 C HN 0.625 nan 8.230 nan 0.000 0.480 39 T N -0.111 114.385 114.554 -0.097 0.000 2.759 39 T HA -0.240 4.110 4.350 0.000 0.000 0.269 39 T C 1.527 176.198 174.700 -0.049 0.000 1.042 39 T CA 2.010 64.100 62.100 -0.018 0.000 1.140 39 T CB -0.383 68.493 68.868 0.014 0.000 0.864 39 T HN 0.521 nan 8.240 nan 0.000 0.455 40 E N 1.422 121.579 120.200 -0.071 0.000 2.077 40 E HA -0.011 4.339 4.350 0.000 0.000 0.193 40 E C 2.195 178.733 176.600 -0.104 0.000 0.989 40 E CA 1.231 57.587 56.400 -0.073 0.000 0.800 40 E CB -0.616 29.043 29.700 -0.069 0.000 0.746 40 E HN 0.594 nan 8.360 nan 0.000 0.452 41 M N 0.097 119.605 119.600 -0.153 0.000 2.213 41 M HA -0.123 4.357 4.480 0.000 0.000 0.263 41 M C 2.282 178.492 176.300 -0.149 0.000 1.062 41 M CA 1.536 56.717 55.300 -0.198 0.000 1.105 41 M CB -0.158 32.283 32.600 -0.266 0.000 1.385 41 M HN 0.198 nan 8.290 nan 0.000 0.417 42 E N 0.356 120.486 120.200 -0.116 0.000 2.107 42 E HA -0.168 4.182 4.350 0.000 0.000 0.191 42 E C 1.805 178.394 176.600 -0.018 0.000 0.982 42 E CA 0.794 57.172 56.400 -0.036 0.000 0.809 42 E CB 0.292 30.024 29.700 0.053 0.000 0.756 42 E HN 0.233 nan 8.360 nan 0.000 0.459 43 K N 0.905 121.288 120.400 -0.028 0.000 2.063 43 K HA -0.159 4.161 4.320 0.000 0.000 0.208 43 K C 1.844 178.431 176.600 -0.022 0.000 1.048 43 K CA 1.330 57.605 56.287 -0.020 0.000 0.928 43 K CB -0.238 32.248 32.500 -0.023 0.000 0.713 43 K HN 0.295 nan 8.250 nan 0.000 0.442 44 E N -0.838 119.338 120.200 -0.040 0.000 2.427 44 E HA -0.004 4.346 4.350 0.000 0.000 0.196 44 E C 0.971 177.562 176.600 -0.015 0.000 1.028 44 E CA 0.508 56.887 56.400 -0.035 0.000 0.864 44 E CB 0.117 29.777 29.700 -0.067 0.000 0.813 44 E HN 0.504 nan 8.360 nan 0.000 0.514 45 G N 1.291 110.084 108.800 -0.012 0.000 2.194 45 G HA2 -0.349 3.611 3.960 0.000 0.000 0.236 45 G HA3 -0.349 3.611 3.960 0.000 0.000 0.236 45 G C 0.940 175.856 174.900 0.026 0.000 0.987 45 G CA 0.459 45.568 45.100 0.015 0.000 0.635 45 G HN 0.220 nan 8.290 nan 0.000 0.520 46 K N 0.045 120.440 120.400 -0.007 0.000 2.103 46 K HA 0.103 4.423 4.320 0.000 0.000 0.207 46 K C 1.488 178.090 176.600 0.004 0.000 1.048 46 K CA 1.634 57.930 56.287 0.014 0.000 0.930 46 K CB -0.112 32.305 32.500 -0.138 0.000 0.716 46 K HN 0.828 nan 8.250 nan 0.000 0.444 47 I N -4.012 116.516 120.570 -0.071 0.000 3.145 47 I HA 0.421 4.592 4.170 0.000 0.000 0.313 47 I C -0.928 175.209 176.117 0.032 0.000 1.122 47 I CA -1.034 60.220 61.300 -0.077 0.000 0.987 47 I CB 2.584 40.441 38.000 -0.238 0.000 1.236 47 I HN -0.331 nan 8.210 nan 0.000 0.453 48 S N 1.089 116.844 115.700 0.092 0.000 2.546 48 S HA 0.450 4.920 4.470 0.000 0.000 0.274 48 S C -0.928 173.712 174.600 0.066 0.000 1.121 48 S CA -0.920 57.335 58.200 0.093 0.000 0.887 48 S CB 2.028 65.252 63.200 0.040 0.000 1.094 48 S HN 0.500 nan 8.310 nan 0.000 0.474 49 K N 1.906 122.279 120.400 -0.045 0.000 2.350 49 K HA 0.454 4.774 4.320 0.000 0.000 0.279 49 K C -0.233 176.253 176.600 -0.190 0.000 1.027 49 K CA 0.010 56.140 56.287 -0.262 0.000 0.969 49 K CB 0.195 32.525 32.500 -0.283 0.000 0.954 49 K HN 0.562 nan 8.250 nan 0.000 0.474 50 I N -1.577 118.851 120.570 -0.237 0.000 3.145 50 I HA 0.650 4.820 4.170 0.000 0.000 0.313 50 I C 0.201 176.214 176.117 -0.173 0.000 1.122 50 I CA -1.022 60.181 61.300 -0.161 0.000 0.987 50 I CB 2.037 39.964 38.000 -0.121 0.000 1.236 50 I HN 0.517 nan 8.210 nan 0.000 0.453 51 G N 0.619 109.342 108.800 -0.128 0.000 2.795 51 G HA2 0.618 4.578 3.960 0.000 0.000 0.267 51 G HA3 0.618 4.578 3.960 0.000 0.000 0.267 51 G C -2.221 172.616 174.900 -0.106 0.000 1.362 51 G CA -1.283 43.746 45.100 -0.118 0.000 1.048 51 G HN 0.559 nan 8.290 nan 0.000 0.547 52 P HA 0.057 nan 4.420 nan 0.000 0.253 52 P C 1.102 178.349 177.300 -0.089 0.000 1.260 52 P CA 0.412 63.460 63.100 -0.086 0.000 0.800 52 P CB 0.424 32.080 31.700 -0.073 0.000 1.162 53 E N -0.376 119.771 120.200 -0.089 0.000 2.208 53 E HA -0.112 4.238 4.350 0.000 0.000 0.193 53 E C 0.595 177.123 176.600 -0.121 0.000 0.988 53 E CA 0.525 56.869 56.400 -0.092 0.000 0.828 53 E CB -1.122 28.532 29.700 -0.075 0.000 0.763 53 E HN 0.135 nan 8.360 nan 0.000 0.478 54 N N 2.706 121.333 118.700 -0.122 0.000 2.420 54 N HA 0.036 4.776 4.740 0.000 0.000 0.262 54 N C -1.733 173.651 175.510 -0.210 0.000 1.144 54 N CA -1.468 51.490 53.050 -0.152 0.000 0.952 54 N CB 1.391 39.828 38.487 -0.083 0.000 1.081 54 N HN -0.070 nan 8.380 nan 0.000 0.480 55 P HA 0.067 nan 4.420 nan 0.000 0.251 55 P C -0.586 176.502 177.300 -0.353 0.000 1.223 55 P CA 0.484 63.334 63.100 -0.417 0.000 0.796 55 P CB 0.114 31.490 31.700 -0.539 0.000 1.068 56 Y N 0.476 120.787 120.300 0.018 0.000 2.335 56 Y HA 0.501 5.051 4.550 0.000 0.000 0.323 56 Y C 1.035 176.979 175.900 0.073 0.000 1.224 56 Y CA -0.793 57.343 58.100 0.060 0.000 1.241 56 Y CB 0.682 39.193 38.460 0.084 0.000 1.235 56 Y HN -0.135 nan 8.280 nan 0.000 0.492 57 N N -0.347 118.517 118.700 0.272 0.000 2.367 57 N HA 0.407 5.147 4.740 0.000 0.000 0.278 57 N C -1.953 173.687 175.510 0.216 0.000 1.117 57 N CA -0.391 52.789 53.050 0.216 0.000 0.867 57 N CB 1.962 40.541 38.487 0.152 0.000 1.649 57 N HN 0.660 nan 8.380 nan 0.000 0.479 58 T N 2.684 117.373 114.554 0.224 0.000 2.881 58 T HA 0.460 4.810 4.350 0.000 0.000 0.290 58 T C -2.771 171.999 174.700 0.116 0.000 1.000 58 T CA -0.865 61.326 62.100 0.152 0.000 0.978 58 T CB 2.058 71.008 68.868 0.137 0.000 0.997 58 T HN 0.360 nan 8.240 nan 0.000 0.443 59 P HA 0.302 nan 4.420 nan 0.000 0.269 59 P C -0.845 176.476 177.300 0.035 0.000 1.215 59 P CA -0.482 62.667 63.100 0.082 0.000 0.780 59 P CB 0.460 32.196 31.700 0.060 0.000 0.898 60 V N -0.455 119.528 119.914 0.115 0.000 2.735 60 V HA 0.731 4.851 4.120 0.000 0.000 0.310 60 V C -0.949 175.298 176.094 0.254 0.000 1.061 60 V CA -0.748 61.612 62.300 0.100 0.000 0.913 60 V CB 1.901 33.772 31.823 0.079 0.000 1.005 60 V HN 0.330 nan 8.190 nan 0.000 0.428 61 F N 1.893 121.857 119.950 0.023 0.000 2.640 61 F HA 0.952 5.479 4.527 0.000 0.000 0.324 61 F C -0.102 175.753 175.800 0.092 0.000 1.077 61 F CA -0.696 57.344 58.000 0.068 0.000 0.965 61 F CB 2.245 41.277 39.000 0.053 0.000 1.351 61 F HN 0.997 nan 8.300 nan 0.000 0.487 62 A N 3.521 126.052 122.820 -0.481 0.000 2.398 62 A HA 0.807 5.127 4.320 0.000 0.000 0.301 62 A C -1.764 175.703 177.584 -0.195 0.000 1.041 62 A CA -0.416 51.520 52.037 -0.168 0.000 0.711 62 A CB 0.915 19.876 19.000 -0.065 0.000 1.240 62 A HN 0.628 nan 8.150 nan 0.000 0.420 63 I N -0.648 119.933 120.570 0.018 0.000 2.969 63 I HA 0.594 4.764 4.170 0.000 0.000 0.307 63 I C -0.056 175.884 176.117 -0.295 0.000 1.149 63 I CA -0.965 60.249 61.300 -0.143 0.000 1.008 63 I CB 1.142 39.095 38.000 -0.078 0.000 1.232 63 I HN 0.407 nan 8.210 nan 0.000 0.435 70 K N 0.502 120.866 120.400 -0.061 0.000 2.130 70 K HA 0.550 4.870 4.320 0.000 0.000 0.268 70 K C -1.594 174.948 176.600 -0.098 0.000 0.983 70 K CA -0.456 55.834 56.287 0.004 0.000 0.893 70 K CB 1.176 33.677 32.500 0.002 0.000 1.066 70 K HN 0.155 nan 8.250 nan 0.000 0.450 71 W N 2.594 123.875 121.300 -0.032 0.000 2.666 71 W HA 0.397 5.057 4.660 0.000 0.000 0.334 71 W C -0.158 176.339 176.519 -0.037 0.000 1.051 71 W CA -0.724 56.593 57.345 -0.046 0.000 1.224 71 W CB 1.207 30.633 29.460 -0.057 0.000 1.405 71 W HN 0.290 nan 8.180 nan 0.000 0.513 72 R N 2.219 122.830 120.500 0.185 0.000 2.532 72 R HA 0.480 4.820 4.340 0.000 0.000 0.295 72 R C -0.695 175.683 176.300 0.131 0.000 0.968 72 R CA -1.231 54.945 56.100 0.128 0.000 0.916 72 R CB 1.552 31.898 30.300 0.077 0.000 1.124 72 R HN 0.492 nan 8.270 nan 0.000 0.463 73 K N 3.292 123.747 120.400 0.093 0.000 2.276 73 K HA 0.281 4.601 4.320 0.000 0.000 0.285 73 K C -0.873 175.763 176.600 0.060 0.000 1.062 73 K CA -0.349 55.971 56.287 0.055 0.000 0.918 73 K CB 0.674 33.181 32.500 0.012 0.000 1.055 73 K HN 0.544 nan 8.250 nan 0.000 0.477 74 L N 4.830 126.092 121.223 0.064 0.000 2.317 74 L HA 0.456 4.796 4.340 0.000 0.000 0.281 74 L C -1.083 175.778 176.870 -0.015 0.000 1.024 74 L CA -1.135 53.745 54.840 0.067 0.000 0.810 74 L CB 2.034 44.180 42.059 0.144 0.000 1.240 74 L HN 0.456 nan 8.230 nan 0.000 0.427 75 V N 1.583 121.430 119.914 -0.113 0.000 2.444 75 V HA 0.217 4.338 4.120 0.000 0.000 0.294 75 V C -0.642 175.230 176.094 -0.370 0.000 1.022 75 V CA -0.737 61.350 62.300 -0.354 0.000 0.850 75 V CB 1.741 33.151 31.823 -0.689 0.000 0.992 75 V HN 0.582 nan 8.190 nan 0.000 0.426 76 D N 3.536 123.774 120.400 -0.269 0.000 2.422 76 D HA 0.268 4.908 4.640 0.000 0.000 0.227 76 D C 0.184 176.397 176.300 -0.144 0.000 1.190 76 D CA -0.207 53.712 54.000 -0.136 0.000 0.905 76 D CB 0.502 41.264 40.800 -0.064 0.000 1.034 76 D HN 0.369 nan 8.370 nan 0.000 0.507 77 F N 2.433 122.426 119.950 0.072 0.000 2.693 77 F HA 0.246 4.773 4.527 0.000 0.000 0.303 77 F C 2.122 177.987 175.800 0.107 0.000 1.143 77 F CA -0.220 57.844 58.000 0.108 0.000 1.389 77 F CB -0.019 39.068 39.000 0.145 0.000 1.060 77 F HN 0.299 nan 8.300 nan 0.000 0.535 78 R N 0.207 120.829 120.500 0.204 0.000 2.112 78 R HA -0.249 4.091 4.340 0.000 0.000 0.242 78 R C 2.032 178.420 176.300 0.146 0.000 1.137 78 R CA 2.015 58.199 56.100 0.140 0.000 0.944 78 R CB -0.271 30.075 30.300 0.077 0.000 0.857 78 R HN 0.158 nan 8.270 nan 0.000 0.435 79 E N 0.508 120.796 120.200 0.147 0.000 2.072 79 E HA -0.157 4.193 4.350 0.000 0.000 0.191 79 E C 1.764 178.465 176.600 0.168 0.000 0.985 79 E CA 0.784 57.265 56.400 0.135 0.000 0.801 79 E CB -0.184 29.590 29.700 0.122 0.000 0.750 79 E HN 0.114 nan 8.360 nan 0.000 0.452 80 L N 0.857 122.230 121.223 0.250 0.000 2.046 80 L HA -0.151 4.190 4.340 0.000 0.000 0.208 80 L C 1.528 178.577 176.870 0.299 0.000 1.077 80 L CA 1.748 56.759 54.840 0.286 0.000 0.747 80 L CB -0.669 41.636 42.059 0.410 0.000 0.896 80 L HN 0.102 nan 8.230 nan 0.000 0.432 81 N N 0.192 119.065 118.700 0.287 0.000 2.120 81 N HA -0.243 4.497 4.740 0.000 0.000 0.188 81 N C 1.792 177.368 175.510 0.109 0.000 1.024 81 N CA 1.460 54.615 53.050 0.175 0.000 0.852 81 N CB -0.366 38.191 38.487 0.118 0.000 1.003 81 N HN 0.437 nan 8.380 nan 0.000 0.424 82 K N 0.863 121.326 120.400 0.104 0.000 2.360 82 K HA -0.002 4.318 4.320 0.000 0.000 0.201 82 K C 1.396 178.034 176.600 0.063 0.000 1.046 82 K CA 0.907 57.236 56.287 0.069 0.000 0.945 82 K CB 0.207 32.745 32.500 0.065 0.000 0.750 82 K HN 0.114 nan 8.250 nan 0.000 0.464 83 R N -0.682 119.871 120.500 0.088 0.000 2.307 83 R HA 0.101 4.441 4.340 0.000 0.000 0.200 83 R C 0.050 176.398 176.300 0.080 0.000 0.893 83 R CA 0.053 56.190 56.100 0.061 0.000 1.042 83 R CB 0.746 31.068 30.300 0.036 0.000 1.059 83 R HN 0.000 nan 8.270 nan 0.000 0.530 84 T N 2.613 117.264 114.554 0.161 0.000 2.918 84 T HA 0.020 4.370 4.350 0.000 0.000 0.302 84 T C 0.150 174.867 174.700 0.027 0.000 1.045 84 T CA -0.316 61.908 62.100 0.207 0.000 1.114 84 T CB 1.118 70.206 68.868 0.367 0.000 0.965 84 T HN 0.221 nan 8.240 nan 0.000 0.540 85 Q N 2.064 121.811 119.800 -0.088 0.000 2.479 85 Q HA 0.076 4.416 4.340 0.000 0.000 0.267 85 Q C -0.731 175.045 176.000 -0.374 0.000 1.071 85 Q CA -0.307 55.340 55.803 -0.259 0.000 0.935 85 Q CB 0.388 28.892 28.738 -0.391 0.000 1.295 85 Q HN 0.421 nan 8.270 nan 0.000 0.476 86 D N 0.945 121.168 120.400 -0.296 0.000 2.341 86 D HA 0.259 4.899 4.640 0.000 0.000 0.245 86 D C -0.860 175.202 176.300 -0.397 0.000 1.106 86 D CA 0.208 54.083 54.000 -0.209 0.000 0.905 86 D CB 0.428 41.182 40.800 -0.075 0.000 1.202 86 D HN 0.359 nan 8.370 nan 0.000 0.426 87 F N 0.184 120.095 119.950 -0.065 0.000 2.556 87 F HA 0.290 4.818 4.527 0.000 0.000 0.327 87 F C 0.490 176.341 175.800 0.085 0.000 1.059 87 F CA -1.175 56.809 58.000 -0.027 0.000 0.953 87 F CB 1.265 40.186 39.000 -0.132 0.000 1.227 87 F HN 0.242 nan 8.300 nan 0.000 0.478 88 W N 2.962 124.326 121.300 0.107 0.000 2.190 88 W HA 0.124 4.784 4.660 0.000 0.000 0.330 88 W C -0.217 176.327 176.519 0.042 0.000 1.299 88 W CA -0.708 56.665 57.345 0.047 0.000 1.215 88 W CB 0.849 30.326 29.460 0.027 0.000 1.147 88 W HN 0.451 nan 8.180 nan 0.000 0.563 89 E N 3.628 123.268 120.200 -0.934 0.000 2.585 89 E HA -0.081 4.269 4.350 0.000 0.000 0.252 89 E C 1.213 177.548 176.600 -0.441 0.000 0.981 89 E CA 0.202 56.184 56.400 -0.697 0.000 0.943 89 E CB 0.600 29.783 29.700 -0.861 0.000 0.923 89 E HN 0.381 nan 8.360 nan 0.000 0.486 90 V N 2.245 122.022 119.914 -0.227 0.000 2.380 90 V HA -0.253 3.867 4.120 0.000 0.000 0.251 90 V C 1.025 177.078 176.094 -0.069 0.000 1.063 90 V CA 1.788 64.014 62.300 -0.122 0.000 1.055 90 V CB -0.581 31.177 31.823 -0.108 0.000 0.657 90 V HN 0.576 nan 8.190 nan 0.000 0.455 91 Q N -1.753 118.007 119.800 -0.067 0.000 2.352 91 Q HA 0.455 4.795 4.340 0.000 0.000 0.270 91 Q C -0.865 175.113 176.000 -0.036 0.000 1.006 91 Q CA -0.444 55.372 55.803 0.022 0.000 0.880 91 Q CB 1.782 30.655 28.738 0.226 0.000 1.392 91 Q HN 0.006 nan 8.270 nan 0.000 0.401 92 L N 1.958 123.161 121.223 -0.033 0.000 2.848 92 L HA 0.699 5.039 4.340 0.000 0.000 0.240 92 L C 0.188 177.054 176.870 -0.007 0.000 1.232 92 L CA 0.793 55.605 54.840 -0.048 0.000 1.031 92 L CB -0.365 41.668 42.059 -0.042 0.000 1.338 92 L HN 0.724 nan 8.230 nan 0.000 0.509 93 G N 0.506 109.316 108.800 0.016 0.000 2.368 93 G HA2 0.220 4.180 3.960 0.000 0.000 0.301 93 G HA3 0.220 4.180 3.960 0.000 0.000 0.301 93 G C -0.887 174.000 174.900 -0.022 0.000 1.640 93 G CA -0.878 44.223 45.100 0.001 0.000 0.941 93 G HN 0.096 nan 8.290 nan 0.000 0.695 94 I N 0.061 120.584 120.570 -0.079 0.000 2.472 94 I HA 0.656 4.826 4.170 0.000 0.000 0.290 94 I C -1.622 174.444 176.117 -0.085 0.000 1.016 94 I CA -2.045 59.134 61.300 -0.201 0.000 1.348 94 I CB 1.008 38.866 38.000 -0.238 0.000 1.417 94 I HN 0.292 nan 8.210 nan 0.000 0.521 95 P HA 0.022 nan 4.420 nan 0.000 0.268 95 P C -0.867 176.361 177.300 -0.119 0.000 1.204 95 P CA 0.288 63.315 63.100 -0.121 0.000 0.768 95 P CB 0.449 32.025 31.700 -0.207 0.000 0.842 96 H N 4.212 123.100 119.070 -0.304 0.000 2.527 96 H HA 0.140 4.695 4.556 -0.000 0.000 0.321 96 H C -1.558 173.399 175.328 -0.618 0.000 1.087 96 H CA -1.765 54.022 56.048 -0.434 0.000 1.337 96 H CB 1.409 30.900 29.762 -0.451 0.000 1.440 96 H HN 0.175 nan 8.280 nan 0.000 0.490 97 P HA -0.184 nan 4.420 nan 0.000 0.216 97 P C 1.075 177.917 177.300 -0.764 0.000 1.154 97 P CA 2.039 64.503 63.100 -1.060 0.000 0.865 97 P CB 0.046 30.735 31.700 -1.685 0.000 0.789 98 A N -0.734 121.658 122.820 -0.713 0.000 2.178 98 A HA -0.010 4.310 4.320 0.000 0.000 0.218 98 A C 2.155 179.901 177.584 0.271 0.000 1.157 98 A CA 1.719 53.753 52.037 -0.005 0.000 0.689 98 A CB -1.439 17.765 19.000 0.342 0.000 0.787 98 A HN 0.334 nan 8.150 nan 0.000 0.465 99 G N -1.046 107.728 108.800 -0.044 0.000 3.126 99 G HA2 0.419 4.379 3.960 0.000 0.000 0.224 99 G HA3 0.419 4.379 3.960 0.000 0.000 0.224 99 G C 0.341 175.296 174.900 0.093 0.000 1.142 99 G CA -0.360 44.693 45.100 -0.077 0.000 0.759 99 G HN 0.367 nan 8.290 nan 0.000 0.550 100 L N 0.538 121.794 121.223 0.056 0.000 2.350 100 L HA 0.436 4.776 4.340 0.000 0.000 0.275 100 L C 0.218 177.180 176.870 0.153 0.000 1.099 100 L CA -0.869 53.934 54.840 -0.062 0.000 0.808 100 L CB 1.134 42.896 42.059 -0.495 0.000 1.149 100 L HN -0.138 nan 8.230 nan 0.000 0.442 101 K N 1.596 122.094 120.400 0.163 0.000 2.258 101 K HA 0.163 4.484 4.320 0.000 0.000 0.264 101 K C -0.228 176.378 176.600 0.010 0.000 1.007 101 K CA -0.300 56.080 56.287 0.156 0.000 0.941 101 K CB 0.602 33.194 32.500 0.153 0.000 0.966 101 K HN 0.327 nan 8.250 nan 0.000 0.480 102 K N 1.845 122.294 120.400 0.082 0.000 2.368 102 K HA 0.073 4.393 4.320 0.000 0.000 0.282 102 K C -0.913 175.710 176.600 0.038 0.000 1.035 102 K CA 0.119 56.449 56.287 0.072 0.000 0.973 102 K CB 0.295 32.897 32.500 0.170 0.000 0.957 102 K HN 0.530 nan 8.250 nan 0.000 0.474 103 N N 2.851 121.565 118.700 0.023 0.000 2.238 103 N HA 0.161 4.901 4.740 0.000 0.000 0.302 103 N C -0.134 175.381 175.510 0.008 0.000 1.072 103 N CA -0.865 52.196 53.050 0.018 0.000 0.792 103 N CB 2.020 40.520 38.487 0.022 0.000 1.425 103 N HN 0.392 nan 8.380 nan 0.000 0.478 104 K N 0.358 120.744 120.400 -0.022 0.000 1.973 104 K HA 0.028 4.349 4.320 0.000 0.000 0.212 104 K C 0.005 176.549 176.600 -0.093 0.000 1.047 104 K CA 0.970 57.234 56.287 -0.040 0.000 0.937 104 K CB -0.020 32.452 32.500 -0.047 0.000 0.721 104 K HN 0.401 nan 8.250 nan 0.000 0.440 105 S N 0.418 115.981 115.700 -0.228 0.000 2.501 105 S HA 0.468 4.938 4.470 0.000 0.000 0.301 105 S C -1.035 173.287 174.600 -0.464 0.000 1.096 105 S CA -0.879 57.058 58.200 -0.440 0.000 1.063 105 S CB 2.502 65.207 63.200 -0.825 0.000 1.042 105 S HN 0.097 nan 8.310 nan 0.000 0.494 106 V N 2.916 122.718 119.914 -0.186 0.000 2.817 106 V HA 0.731 4.851 4.120 0.000 0.000 0.303 106 V C -1.262 174.891 176.094 0.098 0.000 1.151 106 V CA -0.108 62.175 62.300 -0.028 0.000 0.929 106 V CB 2.084 33.840 31.823 -0.111 0.000 1.030 106 V HN 0.994 nan 8.190 nan 0.000 0.427 107 T N 4.615 119.182 114.554 0.023 0.000 2.906 107 T HA 0.703 5.053 4.350 0.000 0.000 0.295 107 T C -1.058 173.459 174.700 -0.305 0.000 1.075 107 T CA -0.664 61.407 62.100 -0.049 0.000 1.005 107 T CB 1.985 70.879 68.868 0.043 0.000 1.136 107 T HN 0.575 nan 8.240 nan 0.000 0.498 108 V N 2.457 122.187 119.914 -0.308 0.000 2.409 108 V HA 0.501 4.621 4.120 0.000 0.000 0.291 108 V C -0.580 175.426 176.094 -0.147 0.000 1.020 108 V CA -0.673 61.406 62.300 -0.368 0.000 0.848 108 V CB 1.065 32.515 31.823 -0.622 0.000 0.990 108 V HN 0.648 nan 8.190 nan 0.000 0.430 109 L N 4.721 125.877 121.223 -0.111 0.000 2.330 109 L HA 0.777 5.118 4.340 0.000 0.000 0.271 109 L C -0.752 176.111 176.870 -0.011 0.000 1.013 109 L CA -0.668 54.145 54.840 -0.045 0.000 0.816 109 L CB 2.182 44.212 42.059 -0.049 0.000 1.287 109 L HN 0.828 nan 8.230 nan 0.000 0.435 110 D N -0.133 120.275 120.400 0.015 0.000 2.857 110 D HA 0.417 5.057 4.640 0.000 0.000 0.227 110 D C -1.127 175.195 176.300 0.036 0.000 1.192 110 D CA -0.602 53.419 54.000 0.035 0.000 0.857 110 D CB 2.014 42.838 40.800 0.040 0.000 1.645 110 D HN 0.068 nan 8.370 nan 0.000 0.482 111 V N 1.942 121.889 119.914 0.055 0.000 2.372 111 V HA 0.567 4.688 4.120 0.000 0.000 0.261 111 V C 1.182 177.279 176.094 0.006 0.000 1.055 111 V CA -0.325 62.012 62.300 0.062 0.000 0.930 111 V CB 0.733 32.651 31.823 0.158 0.000 1.031 111 V HN 0.765 nan 8.190 nan 0.000 0.479 112 G N 3.215 112.021 108.800 0.009 0.000 2.378 112 G HA2 0.311 4.271 3.960 0.000 0.000 0.255 112 G HA3 0.311 4.271 3.960 0.000 0.000 0.255 112 G C -0.007 174.893 174.900 -0.000 0.000 1.270 112 G CA -0.203 44.894 45.100 -0.006 0.000 0.876 112 G HN 0.848 nan 8.290 nan 0.000 0.521 113 D N 0.671 121.058 120.400 -0.022 0.000 3.038 113 D HA -0.206 4.434 4.640 0.000 0.000 0.229 113 D C 1.457 177.700 176.300 -0.095 0.000 1.182 113 D CA 0.841 54.848 54.000 0.012 0.000 0.852 113 D CB -0.870 40.058 40.800 0.213 0.000 0.932 113 D HN 0.646 nan 8.370 nan 0.000 0.406 114 A N 1.088 123.683 122.820 -0.375 0.000 1.841 114 A HA -0.217 4.104 4.320 0.000 0.000 0.216 114 A C 1.910 179.232 177.584 -0.437 0.000 1.199 114 A CA 1.559 53.220 52.037 -0.627 0.000 0.621 114 A CB -0.760 17.400 19.000 -1.400 0.000 0.835 114 A HN 0.621 nan 8.150 nan 0.000 0.445 115 Y N -2.081 117.902 120.300 -0.529 0.000 2.293 115 Y HA -0.173 4.378 4.550 0.001 0.000 0.291 115 Y C 2.188 177.990 175.900 -0.164 0.000 1.137 115 Y CA 0.502 58.369 58.100 -0.387 0.000 1.202 115 Y CB -0.267 37.890 38.460 -0.505 0.000 0.990 115 Y HN 0.313 nan 8.280 nan 0.000 0.537 116 F N -0.580 119.459 119.950 0.148 0.000 2.325 116 F HA -0.138 4.390 4.527 0.000 0.000 0.299 116 F C 2.253 178.132 175.800 0.132 0.000 1.090 116 F CA 0.753 58.840 58.000 0.144 0.000 1.392 116 F CB -0.776 38.288 39.000 0.107 0.000 1.053 116 F HN -0.175 nan 8.300 nan 0.000 0.521 117 S N -0.700 115.166 115.700 0.277 0.000 2.607 117 S HA 0.083 4.553 4.470 0.000 0.000 0.224 117 S C 0.466 175.206 174.600 0.234 0.000 0.969 117 S CA 0.240 58.577 58.200 0.228 0.000 0.927 117 S CB -0.168 63.151 63.200 0.198 0.000 0.772 117 S HN 0.062 nan 8.310 nan 0.000 0.533 118 V N 2.981 123.047 119.914 0.254 0.000 2.577 118 V HA 0.526 4.646 4.120 0.000 0.000 0.303 118 V C -2.812 173.405 176.094 0.205 0.000 1.042 118 V CA -2.601 59.840 62.300 0.236 0.000 0.872 118 V CB 2.302 34.297 31.823 0.286 0.000 0.998 118 V HN -0.081 nan 8.190 nan 0.000 0.423 119 P HA 0.239 nan 4.420 nan 0.000 0.272 119 P C -1.089 176.296 177.300 0.142 0.000 1.240 119 P CA -0.312 62.882 63.100 0.157 0.000 0.791 119 P CB 1.264 33.046 31.700 0.138 0.000 0.978 120 L N 0.990 122.292 121.223 0.131 0.000 2.346 120 L HA 0.444 4.784 4.340 0.000 0.000 0.274 120 L C -0.346 176.597 176.870 0.122 0.000 1.007 120 L CA -0.797 54.108 54.840 0.109 0.000 0.818 120 L CB 1.016 43.120 42.059 0.075 0.000 1.284 120 L HN 0.225 nan 8.230 nan 0.000 0.424 121 D N 2.478 122.958 120.400 0.132 0.000 2.570 121 D HA -0.074 4.566 4.640 0.000 0.000 0.243 121 D C 1.015 177.416 176.300 0.169 0.000 1.171 121 D CA 0.874 54.965 54.000 0.152 0.000 0.879 121 D CB 0.770 41.674 40.800 0.172 0.000 1.143 121 D HN 0.710 nan 8.370 nan 0.000 0.511 122 E N 2.279 122.557 120.200 0.129 0.000 2.114 122 E HA -0.242 4.108 4.350 0.000 0.000 0.199 122 E C 0.800 177.460 176.600 0.100 0.000 1.008 122 E CA 1.551 58.013 56.400 0.103 0.000 0.810 122 E CB 0.073 29.821 29.700 0.079 0.000 0.739 122 E HN 0.625 nan 8.360 nan 0.000 0.456 123 D N -1.020 119.460 120.400 0.133 0.000 2.363 123 D HA -0.056 4.584 4.640 0.000 0.000 0.220 123 D C 0.959 177.374 176.300 0.191 0.000 0.994 123 D CA 0.390 54.466 54.000 0.127 0.000 0.890 123 D CB 0.040 40.929 40.800 0.148 0.000 0.906 123 D HN 0.103 nan 8.370 nan 0.000 0.530 124 F N 0.457 120.467 119.950 0.101 0.000 2.678 124 F HA 0.232 4.759 4.527 0.000 0.000 0.291 124 F C 1.816 177.652 175.800 0.060 0.000 1.123 124 F CA 0.006 58.121 58.000 0.192 0.000 1.395 124 F CB 0.316 39.413 39.000 0.162 0.000 1.121 124 F HN -0.271 nan 8.300 nan 0.000 0.592 125 R N 0.824 121.379 120.500 0.090 0.000 2.139 125 R HA -0.227 4.113 4.340 0.000 0.000 0.243 125 R C 1.899 178.166 176.300 -0.053 0.000 1.145 125 R CA 1.986 58.111 56.100 0.042 0.000 0.976 125 R CB -0.406 29.938 30.300 0.072 0.000 0.866 125 R HN 0.318 nan 8.270 nan 0.000 0.449 126 K N -0.542 119.738 120.400 -0.201 0.000 2.283 126 K HA -0.133 4.187 4.320 0.000 0.000 0.202 126 K C 1.216 177.660 176.600 -0.261 0.000 1.048 126 K CA 1.444 57.595 56.287 -0.226 0.000 0.948 126 K CB -0.397 31.948 32.500 -0.259 0.000 0.742 126 K HN 0.280 nan 8.250 nan 0.000 0.458 127 Y N 1.771 121.875 120.300 -0.327 0.000 2.561 127 Y HA -0.034 4.516 4.550 0.000 0.000 0.291 127 Y C 1.868 177.657 175.900 -0.186 0.000 1.141 127 Y CA 0.833 58.632 58.100 -0.501 0.000 1.303 127 Y CB -0.101 37.764 38.460 -0.992 0.000 1.015 127 Y HN 0.268 nan 8.280 nan 0.000 0.547 128 T N -2.035 112.558 114.554 0.065 0.000 3.188 128 T HA 0.420 4.770 4.350 0.000 0.000 0.250 128 T C 0.782 175.768 174.700 0.477 0.000 1.077 128 T CA -0.109 62.169 62.100 0.297 0.000 0.967 128 T CB -0.552 68.475 68.868 0.265 0.000 1.006 128 T HN 0.203 nan 8.240 nan 0.000 0.552 129 A N 1.828 124.839 122.820 0.318 0.000 2.540 129 A HA 0.532 4.852 4.320 0.000 0.000 0.239 129 A C -0.031 177.780 177.584 0.378 0.000 1.061 129 A CA -0.444 51.753 52.037 0.267 0.000 0.758 129 A CB -0.520 18.579 19.000 0.164 0.000 0.991 129 A HN 0.776 nan 8.150 nan 0.000 0.502 130 F N -0.536 119.522 119.950 0.181 0.000 2.629 130 F HA 0.834 5.361 4.527 0.000 0.000 0.316 130 F C -0.372 175.510 175.800 0.137 0.000 1.081 130 F CA -0.905 57.186 58.000 0.151 0.000 0.954 130 F CB 1.435 40.524 39.000 0.148 0.000 1.337 130 F HN 0.303 nan 8.300 nan 0.000 0.474 131 T N 2.712 117.420 114.554 0.257 0.000 2.840 131 T HA 0.523 4.873 4.350 0.000 0.000 0.287 131 T C -0.476 174.349 174.700 0.207 0.000 0.991 131 T CA -0.343 61.831 62.100 0.122 0.000 0.964 131 T CB 1.136 70.051 68.868 0.078 0.000 0.954 131 T HN 0.576 nan 8.240 nan 0.000 0.438 132 I N 6.368 127.042 120.570 0.173 0.000 2.322 132 I HA 0.242 4.412 4.170 0.000 0.000 0.292 132 I C -1.808 174.355 176.117 0.077 0.000 1.060 132 I CA -2.068 59.327 61.300 0.158 0.000 1.309 132 I CB 0.779 38.881 38.000 0.170 0.000 1.415 132 I HN 0.304 nan 8.210 nan 0.000 0.492 133 P HA 0.135 nan 4.420 nan 0.000 0.276 133 P C -0.437 176.866 177.300 0.004 0.000 1.244 133 P CA -0.406 62.710 63.100 0.027 0.000 0.801 133 P CB 1.011 32.727 31.700 0.026 0.000 1.006 134 S N 0.987 116.678 115.700 -0.015 0.000 2.669 134 S HA 0.371 4.842 4.470 0.000 0.000 0.270 134 S C 0.521 175.103 174.600 -0.030 0.000 1.225 134 S CA -0.703 57.483 58.200 -0.024 0.000 0.991 134 S CB -0.222 62.960 63.200 -0.030 0.000 0.987 134 S HN 0.245 nan 8.310 nan 0.000 0.552 135 I N 3.319 123.870 120.570 -0.031 0.000 2.742 135 I HA 0.065 4.235 4.170 0.000 0.000 0.287 135 I C 0.878 176.971 176.117 -0.040 0.000 1.186 135 I CA 0.784 62.064 61.300 -0.033 0.000 1.417 135 I CB -1.361 36.622 38.000 -0.028 0.000 1.377 135 I HN 0.726 nan 8.210 nan 0.000 0.556 136 N N 3.959 122.629 118.700 -0.050 0.000 1.191 136 N HA -0.338 4.402 4.740 0.000 0.000 0.120 136 N C 0.878 176.343 175.510 -0.076 0.000 0.826 136 N CA 1.569 54.579 53.050 -0.067 0.000 0.876 136 N CB -0.900 37.555 38.487 -0.053 0.000 1.050 136 N HN 0.735 nan 8.380 nan 0.000 0.603 137 N N 1.258 119.916 118.700 -0.070 0.000 2.272 137 N HA 0.016 4.756 4.740 0.000 0.000 0.195 137 N C 0.718 176.198 175.510 -0.050 0.000 1.048 137 N CA 1.903 54.913 53.050 -0.066 0.000 0.912 137 N CB -0.424 38.025 38.487 -0.063 0.000 1.096 137 N HN 0.522 nan 8.380 nan 0.000 0.471 138 E N -1.076 119.099 120.200 -0.043 0.000 3.481 138 E HA -0.256 4.094 4.350 0.000 0.000 0.436 138 E C -0.267 176.311 176.600 -0.036 0.000 1.609 138 E CA 2.507 58.886 56.400 -0.037 0.000 1.448 138 E CB -1.543 28.136 29.700 -0.034 0.000 1.457 138 E HN 0.643 nan 8.360 nan 0.000 0.431 139 T N -0.450 114.083 114.554 -0.036 0.000 2.874 139 T HA 0.595 4.945 4.350 0.000 0.000 0.281 139 T C -2.501 172.175 174.700 -0.039 0.000 0.994 139 T CA -1.488 60.590 62.100 -0.037 0.000 1.015 139 T CB 1.203 70.049 68.868 -0.037 0.000 1.028 139 T HN 0.068 nan 8.240 nan 0.000 0.523 140 P HA 0.308 nan 4.420 nan 0.000 0.268 140 P C 0.547 177.817 177.300 -0.051 0.000 1.205 140 P CA -0.103 62.969 63.100 -0.046 0.000 0.771 140 P CB 0.096 31.764 31.700 -0.054 0.000 0.858 141 G N 2.165 110.938 108.800 -0.046 0.000 2.634 141 G HA2 0.368 4.328 3.960 0.000 0.000 0.255 141 G HA3 0.368 4.328 3.960 0.000 0.000 0.255 141 G C -0.251 174.598 174.900 -0.084 0.000 1.205 141 G CA -0.762 44.312 45.100 -0.043 0.000 0.884 141 G HN 0.435 nan 8.290 nan 0.000 0.549 142 I N 0.900 121.415 120.570 -0.093 0.000 2.471 142 I HA 0.209 4.379 4.170 0.000 0.000 0.286 142 I C 0.466 176.410 176.117 -0.289 0.000 1.079 142 I CA -0.137 61.038 61.300 -0.208 0.000 1.398 142 I CB 0.670 38.555 38.000 -0.192 0.000 1.403 142 I HN 0.120 nan 8.210 nan 0.000 0.530 143 R N 6.339 126.591 120.500 -0.414 0.000 2.338 143 R HA 0.502 4.842 4.340 0.000 0.000 0.317 143 R C -1.243 174.685 176.300 -0.621 0.000 0.968 143 R CA -0.715 55.148 56.100 -0.395 0.000 0.849 143 R CB 1.508 31.661 30.300 -0.245 0.000 1.128 143 R HN 0.460 nan 8.270 nan 0.000 0.448 144 Y N 0.567 120.514 120.300 -0.589 0.000 2.650 144 Y HA 0.347 4.898 4.550 0.000 0.000 0.331 144 Y C 0.484 176.106 175.900 -0.464 0.000 1.082 144 Y CA -0.725 57.009 58.100 -0.610 0.000 1.171 144 Y CB 1.837 39.757 38.460 -0.900 0.000 1.326 144 Y HN 0.439 nan 8.280 nan 0.000 0.513 145 Q N -0.473 119.313 119.800 -0.023 0.000 2.462 145 Q HA 0.468 4.808 4.340 0.000 0.000 0.285 145 Q C -2.235 173.865 176.000 0.166 0.000 1.035 145 Q CA -1.062 54.820 55.803 0.131 0.000 0.799 145 Q CB 1.823 30.614 28.738 0.089 0.000 1.452 145 Q HN 0.655 nan 8.270 nan 0.000 0.404 146 Y N 1.245 121.690 120.300 0.242 0.000 2.309 146 Y HA 0.234 4.784 4.550 0.000 0.000 0.327 146 Y C 0.597 176.575 175.900 0.130 0.000 1.172 146 Y CA 0.428 58.655 58.100 0.211 0.000 1.280 146 Y CB 1.362 39.944 38.460 0.203 0.000 1.234 146 Y HN 0.784 nan 8.280 nan 0.000 0.512 147 N N 0.371 119.233 118.700 0.270 0.000 2.348 147 N HA 0.104 4.844 4.740 0.000 0.000 0.183 147 N C -0.675 174.965 175.510 0.216 0.000 1.094 147 N CA 0.040 53.206 53.050 0.194 0.000 0.885 147 N CB 0.796 39.364 38.487 0.136 0.000 1.065 147 N HN 0.337 nan 8.380 nan 0.000 0.472 148 V N -1.358 118.739 119.914 0.306 0.000 3.166 148 V HA 0.484 4.604 4.120 0.000 0.000 0.317 148 V C -0.017 176.224 176.094 0.245 0.000 1.136 148 V CA -1.303 61.172 62.300 0.292 0.000 1.035 148 V CB 1.210 33.257 31.823 0.372 0.000 1.110 148 V HN -0.065 nan 8.190 nan 0.000 0.450 149 L N 3.106 124.423 121.223 0.156 0.000 2.562 149 L HA 0.311 4.652 4.340 0.000 0.000 0.271 149 L C -2.129 174.686 176.870 -0.092 0.000 1.167 149 L CA -1.075 53.770 54.840 0.010 0.000 0.917 149 L CB 0.232 42.282 42.059 -0.014 0.000 1.187 149 L HN 0.535 nan 8.230 nan 0.000 0.482 150 P HA 0.117 nan 4.420 nan 0.000 0.284 150 P C -0.864 176.289 177.300 -0.244 0.000 1.253 150 P CA -0.786 62.041 63.100 -0.454 0.000 0.800 150 P CB 0.994 32.057 31.700 -1.061 0.000 0.961 151 Q N 1.871 121.629 119.800 -0.070 0.000 2.263 151 Q HA 0.318 4.658 4.340 0.000 0.000 0.289 151 Q C 1.356 177.435 176.000 0.133 0.000 1.061 151 Q CA 1.985 57.818 55.803 0.050 0.000 0.927 151 Q CB -0.793 28.003 28.738 0.095 0.000 1.154 151 Q HN 0.854 nan 8.270 nan 0.000 0.378 152 G N 2.882 111.725 108.800 0.071 0.000 2.199 152 G HA2 -0.299 3.661 3.960 0.000 0.000 0.254 152 G HA3 -0.299 3.661 3.960 0.000 0.000 0.254 152 G C -0.390 174.563 174.900 0.088 0.000 0.982 152 G CA 0.002 45.177 45.100 0.125 0.000 0.632 152 G HN 0.704 nan 8.290 nan 0.000 0.529 153 W N 2.026 123.119 121.300 -0.345 0.000 2.190 153 W HA 0.572 5.232 4.660 0.000 0.000 0.330 153 W C 1.419 177.726 176.519 -0.354 0.000 1.299 153 W CA -0.110 56.923 57.345 -0.521 0.000 1.215 153 W CB 0.764 29.728 29.460 -0.826 0.000 1.147 153 W HN 0.099 nan 8.180 nan 0.000 0.563 154 K N 2.551 122.412 120.400 -0.897 0.000 2.063 154 K HA -0.141 4.179 4.320 0.000 0.000 0.208 154 K C 1.734 177.631 176.600 -1.172 0.000 1.048 154 K CA 1.946 57.748 56.287 -0.808 0.000 0.928 154 K CB -0.602 31.587 32.500 -0.518 0.000 0.713 154 K HN 0.734 nan 8.250 nan 0.000 0.442 155 G N -0.762 106.697 108.800 -2.235 0.000 2.880 155 G HA2 -0.043 3.917 3.960 0.000 0.000 0.209 155 G HA3 -0.043 3.917 3.960 0.000 0.000 0.209 155 G C 1.122 175.177 174.900 -1.408 0.000 1.157 155 G CA 0.105 43.784 45.100 -2.369 0.000 0.779 155 G HN 0.232 nan 8.290 nan 0.000 0.539 156 S N 1.821 116.945 115.700 -0.960 0.000 2.356 156 S HA -0.066 4.405 4.470 0.000 0.000 0.223 156 S C 0.012 174.223 174.600 -0.648 0.000 1.032 156 S CA 1.251 59.027 58.200 -0.707 0.000 1.005 156 S CB -0.783 61.807 63.200 -1.017 0.000 0.867 156 S HN 0.265 nan 8.310 nan 0.000 0.449 157 P HA -0.077 nan 4.420 nan 0.000 0.215 157 P C 1.461 178.680 177.300 -0.136 0.000 1.157 157 P CA 1.597 64.587 63.100 -0.183 0.000 0.874 157 P CB -0.127 31.456 31.700 -0.195 0.000 0.790 158 A N -1.082 121.544 122.820 -0.322 0.000 1.898 158 A HA -0.131 4.189 4.320 0.000 0.000 0.216 158 A C 2.223 179.700 177.584 -0.179 0.000 1.181 158 A CA 1.340 53.225 52.037 -0.255 0.000 0.620 158 A CB -1.511 17.277 19.000 -0.354 0.000 0.819 158 A HN 0.104 nan 8.150 nan 0.000 0.442 159 I N -1.775 118.648 120.570 -0.245 0.000 2.286 159 I HA -0.160 4.010 4.170 0.000 0.000 0.245 159 I C 2.332 178.454 176.117 0.008 0.000 1.104 159 I CA 1.274 62.514 61.300 -0.101 0.000 1.397 159 I CB -0.295 37.652 38.000 -0.088 0.000 1.072 159 I HN 0.464 nan 8.210 nan 0.000 0.417 160 F N 1.680 121.590 119.950 -0.067 0.000 2.102 160 F HA -0.275 4.252 4.527 -0.000 0.000 0.298 160 F C 2.648 178.450 175.800 0.003 0.000 1.105 160 F CA 1.808 59.824 58.000 0.026 0.000 1.239 160 F CB -0.489 38.614 39.000 0.171 0.000 0.991 160 F HN 0.028 nan 8.300 nan 0.000 0.474 161 Q N 0.280 119.973 119.800 -0.179 0.000 2.050 161 Q HA -0.231 4.109 4.340 0.000 0.000 0.202 161 Q C 2.467 178.330 176.000 -0.229 0.000 0.980 161 Q CA 2.141 57.782 55.803 -0.270 0.000 0.840 161 Q CB -0.713 27.975 28.738 -0.083 0.000 0.898 161 Q HN 0.517 nan 8.270 nan 0.000 0.424 162 S N -0.113 115.509 115.700 -0.130 0.000 2.365 162 S HA -0.165 4.305 4.470 0.000 0.000 0.225 162 S C 2.118 176.641 174.600 -0.128 0.000 1.039 162 S CA 1.987 60.134 58.200 -0.088 0.000 1.033 162 S CB -0.287 62.892 63.200 -0.034 0.000 0.887 162 S HN 0.520 nan 8.310 nan 0.000 0.447 163 S N 0.982 116.591 115.700 -0.152 0.000 2.382 163 S HA -0.082 4.388 4.470 0.000 0.000 0.228 163 S C 1.807 176.261 174.600 -0.243 0.000 1.027 163 S CA 1.571 59.675 58.200 -0.159 0.000 0.991 163 S CB -0.458 62.689 63.200 -0.089 0.000 0.823 163 S HN 0.569 nan 8.310 nan 0.000 0.469 164 M N 2.051 121.423 119.600 -0.380 0.000 2.159 164 M HA -0.076 4.404 4.480 0.000 0.000 0.263 164 M C 1.886 178.049 176.300 -0.228 0.000 1.063 164 M CA 1.567 56.639 55.300 -0.381 0.000 1.110 164 M CB -1.297 30.946 32.600 -0.595 0.000 1.374 164 M HN 0.192 nan 8.290 nan 0.000 0.411 165 T N 0.122 114.564 114.554 -0.186 0.000 2.701 165 T HA -0.136 4.214 4.350 0.000 0.000 0.263 165 T C 1.843 176.468 174.700 -0.126 0.000 1.040 165 T CA 1.665 63.692 62.100 -0.121 0.000 1.147 165 T CB -0.198 68.621 68.868 -0.082 0.000 0.865 165 T HN 0.393 nan 8.240 nan 0.000 0.426 166 K N 0.502 120.811 120.400 -0.152 0.000 2.074 166 K HA -0.063 4.257 4.320 0.000 0.000 0.209 166 K C 2.196 178.635 176.600 -0.269 0.000 1.048 166 K CA 1.344 57.519 56.287 -0.186 0.000 0.926 166 K CB -0.383 31.999 32.500 -0.197 0.000 0.713 166 K HN 0.322 nan 8.250 nan 0.000 0.444 167 I N 0.738 121.120 120.570 -0.313 0.000 2.179 167 I HA -0.287 3.883 4.170 0.000 0.000 0.242 167 I C 2.042 178.102 176.117 -0.095 0.000 1.088 167 I CA 1.236 62.307 61.300 -0.382 0.000 1.357 167 I CB -0.145 37.675 38.000 -0.300 0.000 1.051 167 I HN 0.118 nan 8.210 nan 0.000 0.409 168 L N 0.076 121.258 121.223 -0.068 0.000 2.313 168 L HA -0.136 4.204 4.340 0.000 0.000 0.214 168 L C 2.459 179.340 176.870 0.018 0.000 1.119 168 L CA 0.755 55.591 54.840 -0.006 0.000 0.809 168 L CB -0.479 41.557 42.059 -0.039 0.000 0.933 168 L HN 0.287 nan 8.230 nan 0.000 0.449 169 E N 0.754 120.937 120.200 -0.028 0.000 2.049 169 E HA -0.244 4.106 4.350 0.000 0.000 0.198 169 E C -0.516 176.078 176.600 -0.010 0.000 1.007 169 E CA 1.822 58.207 56.400 -0.025 0.000 0.809 169 E CB -0.566 29.105 29.700 -0.048 0.000 0.749 169 E HN 0.309 nan 8.360 nan 0.000 0.450 170 P HA -0.147 nan 4.420 nan 0.000 0.215 170 P C 1.122 178.397 177.300 -0.042 0.000 1.153 170 P CA 1.047 64.155 63.100 0.013 0.000 0.853 170 P CB -0.195 31.568 31.700 0.106 0.000 0.788 171 F N 0.715 120.503 119.950 -0.271 0.000 2.126 171 F HA -0.172 4.354 4.527 -0.001 0.000 0.299 171 F C 2.231 177.926 175.800 -0.174 0.000 1.096 171 F CA 1.501 59.299 58.000 -0.336 0.000 1.255 171 F CB -0.308 38.391 39.000 -0.501 0.000 0.997 171 F HN -0.288 nan 8.300 nan 0.000 0.479 172 R N 0.021 120.543 120.500 0.036 0.000 2.120 172 R HA -0.183 4.157 4.340 0.000 0.000 0.234 172 R C 2.155 178.385 176.300 -0.116 0.000 1.123 172 R CA 1.473 57.560 56.100 -0.022 0.000 0.975 172 R CB -0.264 30.043 30.300 0.011 0.000 0.866 172 R HN 0.163 nan 8.270 nan 0.000 0.446 173 K N 1.038 121.371 120.400 -0.112 0.000 1.965 173 K HA -0.164 4.156 4.320 0.000 0.000 0.214 173 K C 1.828 178.344 176.600 -0.139 0.000 1.046 173 K CA 1.772 57.999 56.287 -0.100 0.000 0.944 173 K CB -0.024 32.434 32.500 -0.070 0.000 0.726 173 K HN 0.098 nan 8.250 nan 0.000 0.441 174 Q N 0.424 120.110 119.800 -0.189 0.000 2.431 174 Q HA -0.023 4.317 4.340 0.000 0.000 0.210 174 Q C -0.677 175.159 176.000 -0.273 0.000 0.958 174 Q CA 0.712 56.397 55.803 -0.197 0.000 0.957 174 Q CB -0.195 28.440 28.738 -0.172 0.000 1.007 174 Q HN 0.205 nan 8.270 nan 0.000 0.511 175 N N 1.604 120.114 118.700 -0.316 0.000 2.703 175 N HA 0.173 4.913 4.740 0.000 0.000 0.283 175 N C -2.281 173.133 175.510 -0.160 0.000 1.851 175 N CA -1.063 51.809 53.050 -0.297 0.000 0.826 175 N CB 1.490 39.651 38.487 -0.543 0.000 1.239 175 N HN 0.052 nan 8.380 nan 0.000 0.495 176 P HA -0.017 nan 4.420 nan 0.000 0.218 176 P C -0.086 177.185 177.300 -0.048 0.000 1.152 176 P CA 1.092 64.150 63.100 -0.070 0.000 0.826 176 P CB 0.409 32.075 31.700 -0.058 0.000 0.790 177 D N 0.124 120.499 120.400 -0.042 0.000 2.519 177 D HA 0.226 4.866 4.640 0.000 0.000 0.238 177 D C 0.309 176.606 176.300 -0.006 0.000 1.192 177 D CA 0.302 54.290 54.000 -0.020 0.000 0.835 177 D CB -0.563 40.228 40.800 -0.015 0.000 0.975 177 D HN 0.291 nan 8.370 nan 0.000 0.490 178 I N 0.263 120.827 120.570 -0.011 0.000 2.533 178 I HA 0.238 4.409 4.170 0.000 0.000 0.290 178 I C -0.364 175.749 176.117 -0.007 0.000 1.056 178 I CA -1.385 59.927 61.300 0.020 0.000 1.057 178 I CB 2.459 40.493 38.000 0.056 0.000 1.240 178 I HN -0.287 nan 8.210 nan 0.000 0.423 179 V N 4.308 124.208 119.914 -0.023 0.000 2.435 179 V HA 0.649 4.769 4.120 0.000 0.000 0.290 179 V C -0.445 175.551 176.094 -0.162 0.000 1.030 179 V CA -0.480 61.729 62.300 -0.152 0.000 0.881 179 V CB 1.515 33.188 31.823 -0.250 0.000 0.983 179 V HN 0.561 nan 8.190 nan 0.000 0.445 180 I N 5.615 126.053 120.570 -0.219 0.000 2.390 180 I HA 0.429 4.599 4.170 0.000 0.000 0.283 180 I C -1.039 174.954 176.117 -0.207 0.000 1.016 180 I CA -0.418 60.807 61.300 -0.125 0.000 1.151 180 I CB 1.158 39.134 38.000 -0.039 0.000 1.293 180 I HN 0.602 nan 8.210 nan 0.000 0.458 181 Y N 4.820 125.152 120.300 0.053 0.000 2.336 181 Y HA 0.411 4.960 4.550 -0.002 0.000 0.335 181 Y C 0.242 176.149 175.900 0.013 0.000 1.046 181 Y CA -0.633 57.465 58.100 -0.002 0.000 1.198 181 Y CB 1.051 39.443 38.460 -0.114 0.000 1.182 181 Y HN 0.505 nan 8.280 nan 0.000 0.502 182 Q N 2.484 122.380 119.800 0.161 0.000 2.304 182 Q HA 0.564 4.904 4.340 0.000 0.000 0.270 182 Q C -2.038 174.099 176.000 0.228 0.000 1.035 182 Q CA -1.039 54.847 55.803 0.139 0.000 0.781 182 Q CB 2.160 30.929 28.738 0.053 0.000 1.261 182 Q HN 0.647 nan 8.270 nan 0.000 0.444 183 Y N 4.487 124.856 120.300 0.115 0.000 2.433 183 Y HA 0.559 5.109 4.550 0.000 0.000 0.337 183 Y C 0.043 176.069 175.900 0.211 0.000 1.026 183 Y CA -0.686 57.518 58.100 0.173 0.000 1.037 183 Y CB 1.326 39.940 38.460 0.257 0.000 1.245 183 Y HN 0.960 nan 8.280 nan 0.000 0.443 184 M N 1.425 120.793 119.600 -0.386 0.000 7.319 184 M HA -0.352 4.128 4.480 0.000 0.000 0.313 184 M C -0.035 176.374 176.300 0.182 0.000 0.480 184 M CA 2.213 57.431 55.300 -0.136 0.000 1.311 184 M CB -0.971 31.534 32.600 -0.158 0.000 0.421 184 M HN 0.820 nan 8.290 nan 0.000 0.852 185 D N 0.369 120.839 120.400 0.117 0.000 2.587 185 D HA 0.344 4.984 4.640 0.000 0.000 0.233 185 D C -0.788 175.589 176.300 0.129 0.000 1.213 185 D CA -0.039 54.061 54.000 0.167 0.000 0.827 185 D CB -0.116 40.642 40.800 -0.070 0.000 1.006 185 D HN 0.239 nan 8.370 nan 0.000 0.490 186 D N 0.304 120.797 120.400 0.155 0.000 2.248 186 D HA 0.485 5.125 4.640 0.000 0.000 0.246 186 D C -0.442 175.920 176.300 0.104 0.000 1.027 186 D CA -0.448 53.635 54.000 0.138 0.000 0.853 186 D CB 2.091 43.022 40.800 0.217 0.000 1.243 186 D HN 0.070 nan 8.370 nan 0.000 0.462 187 L N 2.094 123.345 121.223 0.047 0.000 2.409 187 L HA 0.350 4.690 4.340 0.000 0.000 0.272 187 L C -1.215 175.658 176.870 0.003 0.000 0.980 187 L CA -0.981 53.878 54.840 0.031 0.000 0.826 187 L CB 1.963 44.019 42.059 -0.005 0.000 1.268 187 L HN 0.316 nan 8.230 nan 0.000 0.407 188 Y N 3.975 124.224 120.300 -0.085 0.000 2.402 188 Y HA 0.603 5.153 4.550 -0.000 0.000 0.332 188 Y C -0.808 175.089 175.900 -0.004 0.000 0.960 188 Y CA -0.733 57.301 58.100 -0.110 0.000 1.228 188 Y CB 1.228 39.608 38.460 -0.133 0.000 1.120 188 Y HN 0.235 nan 8.280 nan 0.000 0.491 189 V N 5.705 125.513 119.914 -0.176 0.000 2.357 189 V HA 0.759 4.879 4.120 0.000 0.000 0.284 189 V C 0.220 176.291 176.094 -0.039 0.000 1.018 189 V CA -0.483 61.785 62.300 -0.053 0.000 0.841 189 V CB 1.137 32.921 31.823 -0.065 0.000 0.991 189 V HN 0.924 nan 8.190 nan 0.000 0.437 190 G N 2.804 111.653 108.800 0.082 0.000 2.591 190 G HA2 0.780 4.740 3.960 0.000 0.000 0.306 190 G HA3 0.780 4.740 3.960 0.000 0.000 0.306 190 G C -0.684 174.288 174.900 0.120 0.000 1.334 190 G CA -0.225 44.939 45.100 0.107 0.000 0.981 190 G HN 0.991 nan 8.290 nan 0.000 0.491 191 S N -0.150 115.605 115.700 0.093 0.000 2.625 191 S HA 0.522 4.992 4.470 0.000 0.000 0.271 191 S C -1.218 173.379 174.600 -0.005 0.000 1.161 191 S CA -0.804 57.440 58.200 0.073 0.000 0.820 191 S CB 2.370 65.663 63.200 0.155 0.000 1.137 191 S HN 0.267 nan 8.310 nan 0.000 0.470 192 D N 1.056 121.461 120.400 0.008 0.000 2.722 192 D HA 0.395 5.035 4.640 0.000 0.000 0.239 192 D C -0.122 176.174 176.300 -0.006 0.000 1.249 192 D CA 0.040 54.033 54.000 -0.012 0.000 0.830 192 D CB -0.126 40.675 40.800 0.001 0.000 1.025 192 D HN 0.415 nan 8.370 nan 0.000 0.486 193 L N 0.220 121.446 121.223 0.005 0.000 2.387 193 L HA 0.306 4.646 4.340 0.000 0.000 0.266 193 L C 0.908 177.783 176.870 0.008 0.000 1.059 193 L CA -0.909 53.948 54.840 0.029 0.000 0.801 193 L CB 0.935 43.043 42.059 0.081 0.000 1.223 193 L HN -0.246 nan 8.230 nan 0.000 0.456 194 E N 0.199 120.416 120.200 0.028 0.000 2.392 194 E HA 0.064 4.414 4.350 0.000 0.000 0.259 194 E C 0.798 177.432 176.600 0.056 0.000 1.108 194 E CA 0.168 56.582 56.400 0.023 0.000 0.916 194 E CB 0.694 30.408 29.700 0.024 0.000 0.989 194 E HN 0.416 nan 8.360 nan 0.000 0.432 195 I N 1.478 122.073 120.570 0.041 0.000 2.761 195 I HA -0.227 3.943 4.170 0.000 0.000 0.266 195 I C 1.403 177.574 176.117 0.090 0.000 1.239 195 I CA 1.338 62.684 61.300 0.075 0.000 1.451 195 I CB -0.089 37.939 38.000 0.047 0.000 1.096 195 I HN 0.639 nan 8.210 nan 0.000 0.465 196 G N 0.386 109.228 108.800 0.069 0.000 2.607 196 G HA2 -0.230 3.730 3.960 0.000 0.000 0.215 196 G HA3 -0.230 3.730 3.960 0.000 0.000 0.215 196 G C 1.214 176.156 174.900 0.069 0.000 1.275 196 G CA 0.548 45.682 45.100 0.057 0.000 0.842 196 G HN 0.501 nan 8.290 nan 0.000 0.555 197 Q N 0.469 120.311 119.800 0.070 0.000 2.466 197 Q HA -0.005 4.335 4.340 0.000 0.000 0.210 197 Q C 1.516 177.577 176.000 0.101 0.000 0.961 197 Q CA 0.680 56.523 55.803 0.067 0.000 0.953 197 Q CB -0.527 28.241 28.738 0.050 0.000 1.011 197 Q HN 0.806 nan 8.270 nan 0.000 0.516 198 H N 1.638 120.721 119.070 0.022 0.000 2.287 198 H HA 0.122 4.680 4.556 0.005 0.000 0.309 198 H C 1.447 176.791 175.328 0.027 0.000 1.059 198 H CA 0.910 56.972 56.048 0.024 0.000 1.357 198 H CB 0.327 30.100 29.762 0.019 0.000 1.409 198 H HN 0.220 nan 8.280 nan 0.000 0.515 199 R N -0.038 120.458 120.500 -0.007 0.000 2.170 199 R HA -0.111 4.229 4.340 0.000 0.000 0.242 199 R C 2.366 178.635 176.300 -0.052 0.000 1.145 199 R CA 1.935 58.001 56.100 -0.057 0.000 0.984 199 R CB -0.179 30.137 30.300 0.027 0.000 0.869 199 R HN 0.392 nan 8.270 nan 0.000 0.455 200 T N 0.542 115.088 114.554 -0.014 0.000 2.701 200 T HA -0.124 4.226 4.350 0.000 0.000 0.263 200 T C 1.692 176.392 174.700 -0.000 0.000 1.040 200 T CA 1.203 63.304 62.100 0.002 0.000 1.147 200 T CB -0.108 68.773 68.868 0.022 0.000 0.865 200 T HN 0.082 nan 8.240 nan 0.000 0.426 201 K N 0.691 121.087 120.400 -0.007 0.000 2.211 201 K HA 0.151 4.472 4.320 0.000 0.000 0.203 201 K C 2.001 178.615 176.600 0.024 0.000 1.050 201 K CA 0.682 56.989 56.287 0.034 0.000 0.945 201 K CB -0.369 32.158 32.500 0.046 0.000 0.732 201 K HN 0.355 nan 8.250 nan 0.000 0.451 202 I N 0.549 121.057 120.570 -0.105 0.000 2.233 202 I HA -0.188 3.982 4.170 0.000 0.000 0.243 202 I C 1.621 177.697 176.117 -0.069 0.000 1.093 202 I CA 0.955 62.175 61.300 -0.134 0.000 1.380 202 I CB -0.173 37.677 38.000 -0.251 0.000 1.067 202 I HN 0.181 nan 8.210 nan 0.000 0.413 203 E N 0.628 120.804 120.200 -0.041 0.000 2.338 203 E HA -0.245 4.105 4.350 0.000 0.000 0.197 203 E C 1.801 178.414 176.600 0.023 0.000 1.007 203 E CA 0.743 57.138 56.400 -0.008 0.000 0.849 203 E CB -0.170 29.530 29.700 0.000 0.000 0.774 203 E HN 0.559 nan 8.360 nan 0.000 0.506 204 E N 0.737 120.967 120.200 0.050 0.000 2.107 204 E HA -0.097 4.253 4.350 0.000 0.000 0.191 204 E C 2.183 178.865 176.600 0.136 0.000 0.982 204 E CA 0.251 56.722 56.400 0.119 0.000 0.809 204 E CB 0.077 29.877 29.700 0.166 0.000 0.756 204 E HN 0.187 nan 8.360 nan 0.000 0.459 205 L N 0.694 121.921 121.223 0.008 0.000 2.027 205 L HA -0.160 4.181 4.340 0.000 0.000 0.206 205 L C 2.649 179.431 176.870 -0.147 0.000 1.074 205 L CA 1.223 55.864 54.840 -0.331 0.000 0.745 205 L CB -0.225 41.532 42.059 -0.503 0.000 0.898 205 L HN 0.154 nan 8.230 nan 0.000 0.433 206 R N -0.749 119.708 120.500 -0.072 0.000 2.103 206 R HA -0.222 4.118 4.340 0.000 0.000 0.242 206 R C 2.237 178.549 176.300 0.019 0.000 1.142 206 R CA 1.443 57.529 56.100 -0.024 0.000 0.960 206 R CB -0.304 29.990 30.300 -0.010 0.000 0.858 206 R HN 0.451 nan 8.270 nan 0.000 0.439 207 Q N -0.301 119.525 119.800 0.044 0.000 2.084 207 Q HA -0.192 4.148 4.340 0.000 0.000 0.202 207 Q C 1.985 178.039 176.000 0.091 0.000 0.978 207 Q CA 1.666 57.505 55.803 0.061 0.000 0.844 207 Q CB -0.449 28.332 28.738 0.073 0.000 0.898 207 Q HN 0.539 nan 8.270 nan 0.000 0.426 208 H N 0.177 119.280 119.070 0.056 0.000 2.421 208 H HA -0.016 4.540 4.556 0.001 0.000 0.298 208 H C 1.952 177.381 175.328 0.169 0.000 1.087 208 H CA 1.210 57.337 56.048 0.131 0.000 1.330 208 H CB -0.016 29.842 29.762 0.161 0.000 1.388 208 H HN 0.097 nan 8.280 nan 0.000 0.526 209 L N -0.539 120.745 121.223 0.100 0.000 2.023 209 L HA -0.119 4.222 4.340 0.000 0.000 0.205 209 L C 2.484 179.395 176.870 0.068 0.000 1.073 209 L CA 1.037 55.925 54.840 0.080 0.000 0.745 209 L CB -0.379 41.704 42.059 0.040 0.000 0.900 209 L HN 0.293 nan 8.230 nan 0.000 0.435 210 L N -0.328 120.915 121.223 0.034 0.000 2.191 210 L HA -0.188 4.152 4.340 0.000 0.000 0.212 210 L C 2.857 179.708 176.870 -0.031 0.000 1.103 210 L CA 0.859 55.709 54.840 0.016 0.000 0.769 210 L CB -0.306 41.759 42.059 0.010 0.000 0.908 210 L HN 0.220 nan 8.230 nan 0.000 0.438 211 R N -0.477 119.971 120.500 -0.088 0.000 2.152 211 R HA -0.192 4.149 4.340 0.000 0.000 0.232 211 R C 0.526 176.590 176.300 -0.393 0.000 1.117 211 R CA 1.266 57.215 56.100 -0.251 0.000 0.981 211 R CB -0.237 29.874 30.300 -0.315 0.000 0.870 211 R HN 0.423 nan 8.270 nan 0.000 0.451 212 W N 0.346 121.564 121.300 -0.136 0.000 2.817 212 W HA 0.317 4.976 4.660 -0.000 0.000 0.433 212 W C 0.827 177.328 176.519 -0.030 0.000 0.838 212 W CA 0.204 57.494 57.345 -0.092 0.000 2.356 212 W CB 0.287 29.668 29.460 -0.131 0.000 1.216 212 W HN 0.264 nan 8.180 nan 0.000 0.793 213 G N 1.207 110.074 108.800 0.111 0.000 2.225 213 G HA2 -0.316 3.644 3.960 0.000 0.000 0.267 213 G HA3 -0.316 3.644 3.960 0.000 0.000 0.267 213 G C -0.292 174.683 174.900 0.124 0.000 1.024 213 G CA -0.085 45.078 45.100 0.105 0.000 0.784 213 G HN 0.304 nan 8.290 nan 0.000 0.507 214 L N 0.815 122.108 121.223 0.117 0.000 2.319 214 L HA 0.556 4.896 4.340 0.000 0.000 0.281 214 L C 0.513 177.428 176.870 0.076 0.000 1.005 214 L CA -0.525 54.382 54.840 0.112 0.000 0.828 214 L CB 2.089 44.221 42.059 0.121 0.000 1.227 214 L HN 0.223 nan 8.230 nan 0.000 0.415 215 T N 1.536 116.131 114.554 0.069 0.000 2.799 215 T HA 0.630 4.980 4.350 0.000 0.000 0.286 215 T C -0.077 174.645 174.700 0.037 0.000 0.973 215 T CA -0.270 61.858 62.100 0.045 0.000 1.035 215 T CB 0.930 69.821 68.868 0.039 0.000 0.932 215 T HN 0.714 nan 8.240 nan 0.000 0.469 216 T N 2.886 117.457 114.554 0.028 0.000 2.906 216 T HA 0.765 5.115 4.350 0.000 0.000 0.295 216 T C -2.963 171.753 174.700 0.028 0.000 1.075 216 T CA -1.727 60.387 62.100 0.023 0.000 1.005 216 T CB 1.481 70.358 68.868 0.014 0.000 1.136 216 T HN 0.521 nan 8.240 nan 0.000 0.498 217 P HA 0.320 nan 4.420 nan 0.000 0.275 217 P C -0.815 176.554 177.300 0.115 0.000 1.228 217 P CA -0.190 62.959 63.100 0.082 0.000 0.786 217 P CB 0.515 32.273 31.700 0.097 0.000 0.927 218 D N 0.779 121.299 120.400 0.200 0.000 2.451 218 D HA 0.141 4.781 4.640 0.000 0.000 0.259 218 D C 1.230 177.570 176.300 0.066 0.000 1.201 218 D CA -0.612 53.461 54.000 0.121 0.000 1.028 218 D CB 0.434 41.305 40.800 0.119 0.000 1.095 218 D HN 0.044 nan 8.370 nan 0.000 0.539 219 K N -0.067 120.339 120.400 0.009 0.000 2.089 219 K HA -0.262 4.058 4.320 0.000 0.000 0.210 219 K C 1.761 178.326 176.600 -0.058 0.000 1.048 219 K CA 2.277 58.555 56.287 -0.014 0.000 0.926 219 K CB -0.292 32.200 32.500 -0.015 0.000 0.714 219 K HN 0.596 nan 8.250 nan 0.000 0.448 220 K N -1.703 118.593 120.400 -0.174 0.000 2.439 220 K HA -0.112 4.208 4.320 0.000 0.000 0.197 220 K C 1.069 177.482 176.600 -0.312 0.000 1.041 220 K CA 1.610 57.732 56.287 -0.276 0.000 0.970 220 K CB -0.191 32.083 32.500 -0.377 0.000 0.773 220 K HN 0.401 nan 8.250 nan 0.000 0.479 221 H N 0.762 119.849 119.070 0.028 0.000 2.615 221 H HA 0.054 4.611 4.556 0.001 0.000 0.275 221 H C 0.243 175.595 175.328 0.040 0.000 0.981 221 H CA -0.277 55.790 56.048 0.032 0.000 1.252 221 H CB 0.284 30.061 29.762 0.026 0.000 1.447 221 H HN 0.280 nan 8.280 nan 0.000 0.498 222 Q N 1.954 121.836 119.800 0.137 0.000 2.361 222 Q HA 0.069 4.409 4.340 0.000 0.000 0.276 222 Q C -0.401 175.667 176.000 0.114 0.000 1.022 222 Q CA -0.249 55.616 55.803 0.103 0.000 0.898 222 Q CB 1.181 29.957 28.738 0.065 0.000 1.246 222 Q HN -0.030 nan 8.270 nan 0.000 0.410 223 K N 1.295 121.778 120.400 0.138 0.000 2.276 223 K HA 0.086 4.406 4.320 0.000 0.000 0.259 223 K C -0.608 176.169 176.600 0.293 0.000 1.001 223 K CA 0.219 56.630 56.287 0.207 0.000 0.927 223 K CB 0.777 33.427 32.500 0.250 0.000 0.969 223 K HN 0.636 nan 8.250 nan 0.000 0.490 224 E N 2.508 122.844 120.200 0.226 0.000 2.212 224 E HA 0.320 4.670 4.350 0.000 0.000 0.268 224 E C -2.314 174.158 176.600 -0.214 0.000 0.902 224 E CA -2.197 54.258 56.400 0.093 0.000 0.779 224 E CB 1.585 31.301 29.700 0.026 0.000 1.172 224 E HN 0.488 nan 8.360 nan 0.000 0.409 225 P HA 0.116 nan 4.420 nan 0.000 0.271 225 P C -2.427 174.563 177.300 -0.516 0.000 1.218 225 P CA -1.151 61.276 63.100 -1.121 0.000 0.780 225 P CB -0.306 30.817 31.700 -0.962 0.000 0.901 226 P HA 0.192 nan 4.420 nan 0.000 0.271 226 P C -0.830 176.227 177.300 -0.405 0.000 1.220 226 P CA 0.017 62.695 63.100 -0.703 0.000 0.768 226 P CB 0.117 31.467 31.700 -0.584 0.000 0.848 227 F N 2.828 122.775 119.950 -0.004 0.000 2.413 227 F HA 0.148 4.675 4.527 -0.001 0.000 0.359 227 F C 0.820 176.740 175.800 0.201 0.000 1.122 227 F CA -0.630 57.439 58.000 0.114 0.000 1.160 227 F CB 0.214 39.307 39.000 0.156 0.000 1.146 227 F HN 0.035 nan 8.300 nan 0.000 0.514 228 L N 3.804 125.241 121.223 0.356 0.000 2.315 228 L HA 0.142 4.482 4.340 0.000 0.000 0.283 228 L C -0.779 176.344 176.870 0.423 0.000 1.089 228 L CA -0.211 54.824 54.840 0.325 0.000 0.833 228 L CB -0.069 42.113 42.059 0.206 0.000 1.170 228 L HN 0.851 nan 8.230 nan 0.000 0.442 229 W N 6.815 128.254 121.300 0.231 0.000 3.211 229 W HA 0.396 5.057 4.660 0.002 0.000 0.335 229 W C 0.250 176.891 176.519 0.204 0.000 1.113 229 W CA -0.914 56.553 57.345 0.205 0.000 1.235 229 W CB 1.061 30.653 29.460 0.221 0.000 1.365 229 W HN 0.473 nan 8.180 nan 0.000 0.476 230 M N 5.540 124.804 119.600 -0.560 0.000 2.503 230 M HA -0.159 4.322 4.480 0.000 0.000 0.199 230 M C 1.111 177.111 176.300 -0.499 0.000 0.466 230 M CA 2.182 57.033 55.300 -0.748 0.000 0.510 230 M CB -1.176 30.536 32.600 -1.480 0.000 1.858 230 M HN 1.640 nan 8.290 nan 0.000 0.799 231 G N -2.128 106.499 108.800 -0.288 0.000 2.141 231 G HA2 -0.293 3.667 3.960 0.000 0.000 0.242 231 G HA3 -0.293 3.667 3.960 0.000 0.000 0.242 231 G C -0.305 174.654 174.900 0.099 0.000 0.982 231 G CA 0.206 45.166 45.100 -0.233 0.000 0.662 231 G HN 0.668 nan 8.290 nan 0.000 0.527 232 Y N -0.166 120.361 120.300 0.378 0.000 2.487 232 Y HA 0.693 5.244 4.550 0.001 0.000 0.337 232 Y C 0.456 176.590 175.900 0.390 0.000 1.076 232 Y CA -1.497 56.869 58.100 0.444 0.000 1.115 232 Y CB 1.504 40.228 38.460 0.440 0.000 1.235 232 Y HN 0.140 nan 8.280 nan 0.000 0.468 233 E N 2.123 122.671 120.200 0.581 0.000 2.113 233 E HA 0.538 4.888 4.350 0.000 0.000 0.273 233 E C -1.748 175.131 176.600 0.465 0.000 0.924 233 E CA -0.414 56.239 56.400 0.422 0.000 0.764 233 E CB 0.703 30.618 29.700 0.358 0.000 1.104 233 E HN 0.537 nan 8.360 nan 0.000 0.406 234 L N 4.577 126.018 121.223 0.364 0.000 2.325 234 L HA 0.440 4.780 4.340 0.000 0.000 0.281 234 L C -0.623 176.375 176.870 0.213 0.000 1.004 234 L CA -0.624 54.485 54.840 0.449 0.000 0.823 234 L CB 1.144 43.532 42.059 0.547 0.000 1.236 234 L HN 0.627 nan 8.230 nan 0.000 0.415 235 H N 2.711 121.982 119.070 0.336 0.000 2.630 235 H HA 0.392 4.948 4.556 -0.001 0.000 0.343 235 H C -1.670 173.876 175.328 0.364 0.000 1.232 235 H CA -1.651 54.518 56.048 0.202 0.000 1.294 235 H CB 0.607 30.431 29.762 0.105 0.000 1.746 235 H HN 0.298 nan 8.280 nan 0.000 0.593 236 P HA -0.095 nan 4.420 nan 0.000 0.225 236 P C 0.230 177.753 177.300 0.372 0.000 1.156 236 P CA 1.438 64.722 63.100 0.307 0.000 0.787 236 P CB 0.559 32.362 31.700 0.171 0.000 0.802 237 D N -1.094 119.563 120.400 0.427 0.000 2.520 237 D HA 0.054 4.694 4.640 0.000 0.000 0.223 237 D C 0.463 176.969 176.300 0.344 0.000 1.186 237 D CA 0.061 54.311 54.000 0.416 0.000 0.821 237 D CB 0.381 41.300 40.800 0.199 0.000 1.072 237 D HN 0.293 nan 8.370 nan 0.000 0.518 238 K N -0.857 119.716 120.400 0.289 0.000 2.499 238 K HA 0.590 4.910 4.320 0.000 0.000 0.277 238 K C -1.287 175.374 176.600 0.100 0.000 1.025 238 K CA -1.079 55.188 56.287 -0.034 0.000 0.900 238 K CB 1.827 34.221 32.500 -0.177 0.000 1.494 238 K HN 0.100 nan 8.250 nan 0.000 0.442 239 W N -0.054 121.158 121.300 -0.146 0.000 3.137 239 W HA 0.672 5.330 4.660 -0.002 0.000 0.324 239 W C -1.935 174.626 176.519 0.070 0.000 1.253 239 W CA -0.797 56.560 57.345 0.020 0.000 1.183 239 W CB 1.353 30.745 29.460 -0.114 0.000 1.424 239 W HN 0.829 nan 8.180 nan 0.000 0.566 240 T N 0.415 115.140 114.554 0.285 0.000 2.739 240 T HA 0.495 4.845 4.350 0.000 0.000 0.303 240 T C -0.808 174.196 174.700 0.507 0.000 1.389 240 T CA -0.193 61.951 62.100 0.073 0.000 1.001 240 T CB 1.093 69.975 68.868 0.024 0.000 1.436 240 T HN 0.950 nan 8.240 nan 0.000 0.500 241 V N 1.109 121.288 119.914 0.440 0.000 2.953 241 V HA 0.570 4.691 4.120 0.000 0.000 0.304 241 V C 0.454 176.803 176.094 0.426 0.000 1.073 241 V CA -0.680 61.942 62.300 0.538 0.000 1.064 241 V CB 0.428 32.508 31.823 0.429 0.000 1.047 241 V HN 0.956 nan 8.190 nan 0.000 0.478 242 Q N 2.025 122.068 119.800 0.405 0.000 2.395 242 Q HA 0.246 4.586 4.340 0.000 0.000 0.271 242 Q C -2.221 173.907 176.000 0.214 0.000 1.026 242 Q CA -1.276 54.685 55.803 0.264 0.000 0.900 242 Q CB 0.135 28.980 28.738 0.179 0.000 1.266 242 Q HN 0.623 nan 8.270 nan 0.000 0.430 243 P HA -0.124 nan 4.420 nan 0.000 0.259 243 P C -1.130 176.223 177.300 0.089 0.000 1.163 243 P CA 0.788 63.961 63.100 0.122 0.000 0.760 243 P CB 0.233 31.989 31.700 0.093 0.000 0.762 244 I N 3.543 124.151 120.570 0.062 0.000 2.354 244 I HA 0.311 4.481 4.170 0.000 0.000 0.292 244 I C 0.056 176.179 176.117 0.009 0.000 0.989 244 I CA -0.498 60.817 61.300 0.025 0.000 1.188 244 I CB 1.789 39.776 38.000 -0.022 0.000 1.342 244 I HN 0.031 nan 8.210 nan 0.000 0.457 245 V N 7.913 127.837 119.914 0.016 0.000 2.350 245 V HA 0.480 4.600 4.120 0.000 0.000 0.285 245 V C -0.480 175.634 176.094 0.033 0.000 1.014 245 V CA -0.531 61.780 62.300 0.018 0.000 0.831 245 V CB 1.198 33.031 31.823 0.016 0.000 1.000 245 V HN 0.550 nan 8.190 nan 0.000 0.433 246 L N 9.676 130.925 121.223 0.043 0.000 2.268 246 L HA 0.480 4.820 4.340 0.000 0.000 0.289 246 L C -2.053 174.885 176.870 0.115 0.000 1.064 246 L CA -1.574 53.324 54.840 0.098 0.000 0.824 246 L CB 1.079 43.190 42.059 0.088 0.000 1.202 246 L HN 0.478 nan 8.230 nan 0.000 0.433 247 P HA 0.093 nan 4.420 nan 0.000 0.281 247 P C -0.588 176.703 177.300 -0.015 0.000 1.286 247 P CA -0.447 62.656 63.100 0.005 0.000 0.772 247 P CB 0.657 32.311 31.700 -0.077 0.000 0.862 248 E N 4.222 124.427 120.200 0.009 0.000 2.328 248 E HA 0.124 4.474 4.350 0.000 0.000 0.265 248 E C -0.564 175.942 176.600 -0.156 0.000 1.057 248 E CA 0.005 56.423 56.400 0.029 0.000 0.916 248 E CB 0.755 30.487 29.700 0.054 0.000 0.993 248 E HN 0.423 nan 8.360 nan 0.000 0.446 249 K N 2.946 123.150 120.400 -0.326 0.000 2.270 249 K HA 0.103 4.423 4.320 0.000 0.000 0.255 249 K C 0.172 176.584 176.600 -0.313 0.000 0.936 249 K CA -0.733 55.224 56.287 -0.549 0.000 0.809 249 K CB 1.743 33.495 32.500 -1.248 0.000 1.131 249 K HN 0.341 nan 8.250 nan 0.000 0.427 250 D N 0.895 121.167 120.400 -0.213 0.000 2.116 250 D HA -0.111 4.530 4.640 0.000 0.000 0.193 250 D C -0.313 175.942 176.300 -0.076 0.000 0.998 250 D CA 1.593 55.532 54.000 -0.102 0.000 0.836 250 D CB 0.423 41.170 40.800 -0.088 0.000 0.951 250 D HN 0.390 nan 8.370 nan 0.000 0.449 251 S N -2.044 113.563 115.700 -0.155 0.000 2.569 251 S HA 0.531 5.001 4.470 0.000 0.000 0.280 251 S C -1.534 172.956 174.600 -0.183 0.000 1.111 251 S CA -0.818 57.348 58.200 -0.057 0.000 0.887 251 S CB 1.306 64.496 63.200 -0.017 0.000 1.095 251 S HN 0.186 nan 8.310 nan 0.000 0.476 252 W N 1.981 123.274 121.300 -0.011 0.000 2.471 252 W HA 0.494 5.154 4.660 -0.000 0.000 0.318 252 W C 0.700 177.212 176.519 -0.012 0.000 1.034 252 W CA -0.547 56.791 57.345 -0.012 0.000 1.224 252 W CB 1.252 30.704 29.460 -0.012 0.000 1.335 252 W HN 0.736 nan 8.180 nan 0.000 0.452 253 T N -1.557 113.099 114.554 0.171 0.000 2.847 253 T HA 0.220 4.570 4.350 0.000 0.000 0.279 253 T C 1.010 175.790 174.700 0.133 0.000 0.984 253 T CA -0.705 61.462 62.100 0.112 0.000 0.988 253 T CB 1.124 70.022 68.868 0.049 0.000 1.040 253 T HN 0.211 nan 8.240 nan 0.000 0.528 254 V N 1.658 121.620 119.914 0.080 0.000 2.282 254 V HA -0.221 3.899 4.120 0.000 0.000 0.249 254 V C 2.844 178.978 176.094 0.066 0.000 1.057 254 V CA 2.536 64.872 62.300 0.061 0.000 1.032 254 V CB -1.442 30.402 31.823 0.035 0.000 0.645 254 V HN 1.003 nan 8.190 nan 0.000 0.447 255 N N 0.340 119.073 118.700 0.056 0.000 2.104 255 N HA -0.199 4.541 4.740 0.000 0.000 0.190 255 N C 1.465 177.022 175.510 0.078 0.000 1.024 255 N CA 1.800 54.879 53.050 0.048 0.000 0.853 255 N CB -0.213 38.289 38.487 0.026 0.000 1.008 255 N HN 0.530 nan 8.380 nan 0.000 0.424 256 D N -0.149 120.326 120.400 0.125 0.000 2.144 256 D HA -0.096 4.544 4.640 0.000 0.000 0.200 256 D C 1.925 178.416 176.300 0.318 0.000 0.978 256 D CA 0.784 54.913 54.000 0.215 0.000 0.833 256 D CB -0.120 40.823 40.800 0.238 0.000 0.961 256 D HN 0.452 nan 8.370 nan 0.000 0.470 257 I N 0.790 121.505 120.570 0.242 0.000 2.233 257 I HA -0.236 3.935 4.170 0.000 0.000 0.243 257 I C 2.554 178.698 176.117 0.046 0.000 1.093 257 I CA 0.870 62.230 61.300 0.098 0.000 1.380 257 I CB -0.171 37.845 38.000 0.027 0.000 1.067 257 I HN -0.116 nan 8.210 nan 0.000 0.413 258 Q N 0.820 120.649 119.800 0.048 0.000 2.077 258 Q HA -0.271 4.069 4.340 0.000 0.000 0.206 258 Q C 2.166 178.183 176.000 0.028 0.000 0.989 258 Q CA 1.789 57.607 55.803 0.026 0.000 0.853 258 Q CB -0.095 28.656 28.738 0.020 0.000 0.907 258 Q HN 0.419 nan 8.270 nan 0.000 0.418 259 K N 0.222 120.649 120.400 0.046 0.000 2.211 259 K HA -0.076 4.244 4.320 0.000 0.000 0.203 259 K C 1.973 178.603 176.600 0.051 0.000 1.050 259 K CA 0.644 56.955 56.287 0.039 0.000 0.945 259 K CB -0.010 32.517 32.500 0.045 0.000 0.732 259 K HN 0.197 nan 8.250 nan 0.000 0.451 260 L N 0.563 121.830 121.223 0.073 0.000 2.044 260 L HA -0.163 4.178 4.340 0.000 0.000 0.205 260 L C 2.084 178.959 176.870 0.008 0.000 1.075 260 L CA 1.063 55.934 54.840 0.051 0.000 0.747 260 L CB -0.146 41.921 42.059 0.013 0.000 0.903 260 L HN -0.002 nan 8.230 nan 0.000 0.435 261 V N 0.127 120.038 119.914 -0.005 0.000 2.332 261 V HA -0.265 3.855 4.120 0.000 0.000 0.248 261 V C 2.633 178.742 176.094 0.025 0.000 1.055 261 V CA 1.983 64.280 62.300 -0.005 0.000 1.038 261 V CB -1.412 30.405 31.823 -0.011 0.000 0.651 261 V HN 0.644 nan 8.190 nan 0.000 0.450 262 G N -0.268 108.549 108.800 0.029 0.000 2.459 262 G HA2 -0.265 3.696 3.960 0.000 0.000 0.217 262 G HA3 -0.265 3.696 3.960 0.000 0.000 0.217 262 G C 1.654 176.603 174.900 0.081 0.000 1.183 262 G CA 1.006 46.133 45.100 0.044 0.000 0.776 262 G HN 0.486 nan 8.290 nan 0.000 0.552 263 K N -0.164 120.271 120.400 0.058 0.000 2.057 263 K HA 0.062 4.382 4.320 0.000 0.000 0.207 263 K C 2.538 179.206 176.600 0.114 0.000 1.049 263 K CA 0.780 57.117 56.287 0.084 0.000 0.931 263 K CB -0.281 32.246 32.500 0.045 0.000 0.714 263 K HN 0.255 nan 8.250 nan 0.000 0.440 264 L N 1.105 122.365 121.223 0.060 0.000 2.027 264 L HA -0.201 4.139 4.340 0.000 0.000 0.206 264 L C 2.047 178.957 176.870 0.067 0.000 1.074 264 L CA 0.963 55.822 54.840 0.031 0.000 0.745 264 L CB -0.497 41.558 42.059 -0.007 0.000 0.898 264 L HN 0.221 nan 8.230 nan 0.000 0.433 265 N N -0.442 118.313 118.700 0.091 0.000 2.061 265 N HA -0.281 4.459 4.740 0.000 0.000 0.193 265 N C 1.510 177.121 175.510 0.170 0.000 1.030 265 N CA 1.507 54.624 53.050 0.112 0.000 0.856 265 N CB -0.447 38.109 38.487 0.117 0.000 1.023 265 N HN 0.498 nan 8.380 nan 0.000 0.424 266 W N 1.793 123.109 121.300 0.027 0.000 2.358 266 W HA -0.118 4.542 4.660 0.000 0.000 0.303 266 W C 1.978 178.561 176.519 0.106 0.000 1.208 266 W CA 1.717 59.091 57.345 0.048 0.000 1.274 266 W CB -0.162 29.298 29.460 -0.001 0.000 1.138 266 W HN 0.065 nan 8.180 nan 0.000 0.515 267 A N 0.555 123.467 122.820 0.152 0.000 2.015 267 A HA -0.208 4.112 4.320 0.000 0.000 0.219 267 A C 1.954 179.605 177.584 0.112 0.000 1.163 267 A CA 2.047 54.142 52.037 0.095 0.000 0.646 267 A CB -1.226 17.751 19.000 -0.039 0.000 0.806 267 A HN 0.364 nan 8.150 nan 0.000 0.448 268 S N -0.312 115.422 115.700 0.057 0.000 2.537 268 S HA -0.208 4.262 4.470 0.000 0.000 0.240 268 S C 1.564 176.169 174.600 0.008 0.000 0.981 268 S CA 1.261 59.483 58.200 0.037 0.000 0.948 268 S CB -0.536 62.671 63.200 0.012 0.000 0.759 268 S HN 0.704 nan 8.310 nan 0.000 0.531 269 Q N -0.582 119.230 119.800 0.020 0.000 2.369 269 Q HA 0.194 4.534 4.340 0.000 0.000 0.206 269 Q C 1.435 177.518 176.000 0.138 0.000 0.963 269 Q CA 1.036 56.888 55.803 0.081 0.000 0.894 269 Q CB -0.034 28.787 28.738 0.140 0.000 0.965 269 Q HN 0.654 nan 8.270 nan 0.000 0.475 270 I N -2.543 118.063 120.570 0.060 0.000 5.046 270 I HA 0.058 4.228 4.170 0.000 0.000 0.341 270 I C -0.898 175.103 176.117 -0.194 0.000 1.257 270 I CA -0.099 61.128 61.300 -0.122 0.000 1.421 270 I CB 0.961 38.736 38.000 -0.375 0.000 1.495 270 I HN -0.118 nan 8.210 nan 0.000 0.518 271 Y N 4.035 124.278 120.300 -0.095 0.000 2.477 271 Y HA 0.467 5.018 4.550 0.002 0.000 0.349 271 Y C -2.125 173.728 175.900 -0.078 0.000 0.977 271 Y CA -2.441 55.610 58.100 -0.082 0.000 1.214 271 Y CB 0.221 38.650 38.460 -0.052 0.000 1.124 271 Y HN 0.047 nan 8.280 nan 0.000 0.521 272 P HA 0.130 nan 4.420 nan 0.000 0.271 272 P C 0.842 178.147 177.300 0.008 0.000 1.218 272 P CA 0.814 63.905 63.100 -0.015 0.000 0.780 272 P CB 0.972 32.647 31.700 -0.043 0.000 0.901 273 G N 1.815 110.612 108.800 -0.006 0.000 2.225 273 G HA2 -0.230 3.730 3.960 0.000 0.000 0.254 273 G HA3 -0.230 3.730 3.960 0.000 0.000 0.254 273 G C 0.334 175.231 174.900 -0.005 0.000 0.988 273 G CA -0.436 44.660 45.100 -0.006 0.000 0.625 273 G HN 0.497 nan 8.290 nan 0.000 0.527 274 I N 1.412 121.986 120.570 0.006 0.000 2.989 274 I HA 0.027 4.197 4.170 0.000 0.000 0.311 274 I C 0.925 177.035 176.117 -0.013 0.000 1.221 274 I CA 1.311 62.609 61.300 -0.003 0.000 1.449 274 I CB -0.027 37.976 38.000 0.005 0.000 1.325 274 I HN 0.265 nan 8.210 nan 0.000 0.557 275 K N 4.737 125.121 120.400 -0.026 0.000 2.295 275 K HA 0.643 4.963 4.320 0.000 0.000 0.239 275 K C 0.100 176.676 176.600 -0.039 0.000 0.991 275 K CA -0.712 55.556 56.287 -0.032 0.000 0.845 275 K CB 2.809 35.283 32.500 -0.043 0.000 1.197 275 K HN 0.308 nan 8.250 nan 0.000 0.441 276 V N 0.753 120.643 119.914 -0.040 0.000 3.406 276 V HA 0.005 4.125 4.120 0.000 0.000 0.266 276 V C 1.590 177.653 176.094 -0.051 0.000 1.697 276 V CA 0.121 62.394 62.300 -0.045 0.000 1.046 276 V CB 0.464 32.272 31.823 -0.027 0.000 0.879 276 V HN 0.731 nan 8.190 nan 0.000 0.399 277 R N 0.505 120.976 120.500 -0.048 0.000 2.083 277 R HA -0.200 4.140 4.340 0.000 0.000 0.237 277 R C 2.136 178.403 176.300 -0.055 0.000 1.137 277 R CA 2.241 58.312 56.100 -0.048 0.000 0.951 277 R CB 0.066 30.338 30.300 -0.046 0.000 0.851 277 R HN 0.433 nan 8.270 nan 0.000 0.434 278 Q N 0.055 119.816 119.800 -0.064 0.000 2.123 278 Q HA -0.111 4.229 4.340 0.000 0.000 0.199 278 Q C 2.097 178.046 176.000 -0.086 0.000 0.966 278 Q CA 0.825 56.585 55.803 -0.071 0.000 0.845 278 Q CB -0.234 28.459 28.738 -0.075 0.000 0.907 278 Q HN 0.278 nan 8.270 nan 0.000 0.439 279 L N 0.180 121.342 121.223 -0.101 0.000 2.046 279 L HA -0.147 4.193 4.340 0.000 0.000 0.208 279 L C 2.434 179.252 176.870 -0.087 0.000 1.077 279 L CA 1.243 56.010 54.840 -0.122 0.000 0.747 279 L CB -1.317 40.658 42.059 -0.139 0.000 0.896 279 L HN 0.251 nan 8.230 nan 0.000 0.432 280 C N -0.863 118.398 119.300 -0.064 0.000 2.450 280 C HA -0.111 4.349 4.460 0.000 0.000 0.279 280 C C 2.729 177.694 174.990 -0.041 0.000 1.335 280 C CA 0.230 59.220 59.018 -0.046 0.000 1.749 280 C CB -0.536 27.182 27.740 -0.037 0.000 1.963 280 C HN 0.457 nan 8.230 nan 0.000 0.501 281 K N 0.521 120.894 120.400 -0.046 0.000 2.152 281 K HA -0.127 4.193 4.320 0.000 0.000 0.206 281 K C 1.687 178.265 176.600 -0.036 0.000 1.048 281 K CA 1.209 57.473 56.287 -0.039 0.000 0.933 281 K CB -0.230 32.245 32.500 -0.042 0.000 0.721 281 K HN 0.526 nan 8.250 nan 0.000 0.447 282 L N 0.578 121.775 121.223 -0.044 0.000 2.093 282 L HA -0.171 4.169 4.340 0.000 0.000 0.208 282 L C 2.192 179.048 176.870 -0.024 0.000 1.085 282 L CA 0.946 55.764 54.840 -0.038 0.000 0.755 282 L CB -0.361 41.666 42.059 -0.054 0.000 0.904 282 L HN 0.140 nan 8.230 nan 0.000 0.435 283 L N -0.263 120.945 121.223 -0.025 0.000 2.179 283 L HA -0.062 4.279 4.340 0.000 0.000 0.208 283 L C 1.603 178.467 176.870 -0.011 0.000 1.096 283 L CA 0.179 55.010 54.840 -0.014 0.000 0.779 283 L CB -0.376 41.674 42.059 -0.014 0.000 0.922 283 L HN 0.323 nan 8.230 nan 0.000 0.443 284 R N 0.831 121.322 120.500 -0.015 0.000 2.784 284 R HA 0.279 4.620 4.340 0.000 0.000 0.266 284 R C 0.531 176.825 176.300 -0.009 0.000 1.044 284 R CA 0.376 56.469 56.100 -0.012 0.000 1.151 284 R CB 0.009 30.300 30.300 -0.014 0.000 1.037 284 R HN 0.113 nan 8.270 nan 0.000 0.478 285 G N 1.315 110.111 108.800 -0.007 0.000 2.422 285 G HA2 -0.260 3.700 3.960 0.000 0.000 0.290 285 G HA3 -0.260 3.700 3.960 0.000 0.000 0.290 285 G C -0.064 174.834 174.900 -0.003 0.000 1.059 285 G CA 0.366 45.463 45.100 -0.004 0.000 1.242 285 G HN 0.851 nan 8.290 nan 0.000 0.520 286 T N -0.416 114.137 114.554 -0.002 0.000 2.910 286 T HA 0.709 5.059 4.350 0.000 0.000 0.293 286 T C 0.487 175.188 174.700 0.001 0.000 1.015 286 T CA 0.964 63.063 62.100 -0.001 0.000 1.094 286 T CB 0.727 69.594 68.868 -0.001 0.000 0.968 286 T HN 1.384 nan 8.240 nan 0.000 0.521 287 K N 1.597 121.999 120.400 0.003 0.000 2.826 287 K HA 0.668 4.989 4.320 0.000 0.000 0.292 287 K C -0.642 175.961 176.600 0.005 0.000 0.946 287 K CA -0.395 55.894 56.287 0.003 0.000 0.717 287 K CB -0.323 32.179 32.500 0.003 0.000 1.366 287 K HN 0.716 nan 8.250 nan 0.000 0.357 288 A N 0.769 123.592 122.820 0.005 0.000 2.062 288 A HA -0.158 4.162 4.320 0.000 0.000 0.330 288 A C 0.906 178.495 177.584 0.009 0.000 0.781 288 A CA 0.810 52.850 52.037 0.006 0.000 1.457 288 A CB -0.786 18.218 19.000 0.006 0.000 0.630 288 A HN 0.674 nan 8.150 nan 0.000 0.241 289 L N 2.835 124.062 121.223 0.007 0.000 2.093 289 L HA -0.135 4.205 4.340 0.000 0.000 0.208 289 L C 2.605 179.483 176.870 0.013 0.000 1.085 289 L CA 2.332 57.178 54.840 0.010 0.000 0.755 289 L CB -0.215 41.847 42.059 0.004 0.000 0.904 289 L HN 1.058 nan 8.230 nan 0.000 0.435 290 T N -4.385 110.175 114.554 0.010 0.000 3.086 290 T HA 0.025 4.376 4.350 0.000 0.000 0.250 290 T C 0.702 175.409 174.700 0.013 0.000 1.074 290 T CA -0.376 61.729 62.100 0.009 0.000 0.988 290 T CB 0.028 68.896 68.868 0.001 0.000 0.988 290 T HN 0.211 nan 8.240 nan 0.000 0.530 291 E N 1.793 122.004 120.200 0.017 0.000 2.344 291 E HA 0.227 4.577 4.350 0.000 0.000 0.270 291 E C -0.646 175.974 176.600 0.033 0.000 1.021 291 E CA -0.331 56.081 56.400 0.020 0.000 0.887 291 E CB 1.030 30.740 29.700 0.017 0.000 0.997 291 E HN 0.111 nan 8.360 nan 0.000 0.429 292 V N 6.334 126.268 119.914 0.034 0.000 2.479 292 V HA 0.002 4.122 4.120 0.000 0.000 0.281 292 V C 0.410 176.540 176.094 0.059 0.000 1.031 292 V CA 0.090 62.423 62.300 0.055 0.000 1.038 292 V CB 0.490 32.340 31.823 0.044 0.000 0.981 292 V HN 0.536 nan 8.190 nan 0.000 0.478 293 I N 7.908 128.528 120.570 0.083 0.000 2.312 293 I HA 0.374 4.545 4.170 0.000 0.000 0.290 293 I C -2.227 173.938 176.117 0.079 0.000 1.008 293 I CA -2.806 58.531 61.300 0.063 0.000 1.226 293 I CB 1.314 39.341 38.000 0.045 0.000 1.371 293 I HN 0.418 nan 8.210 nan 0.000 0.468 294 P HA 0.215 nan 4.420 nan 0.000 0.271 294 P C -0.148 177.167 177.300 0.025 0.000 1.220 294 P CA -0.362 62.772 63.100 0.056 0.000 0.768 294 P CB 0.565 32.286 31.700 0.036 0.000 0.848 295 L N 2.040 123.274 121.223 0.019 0.000 2.456 295 L HA 0.110 4.450 4.340 0.000 0.000 0.272 295 L C 1.298 178.148 176.870 -0.034 0.000 1.189 295 L CA 0.473 55.285 54.840 -0.047 0.000 0.846 295 L CB 0.119 42.125 42.059 -0.089 0.000 1.111 295 L HN 0.388 nan 8.230 nan 0.000 0.475 296 T N 0.960 115.484 114.554 -0.051 0.000 2.882 296 T HA 0.004 4.354 4.350 0.000 0.000 0.287 296 T C 1.119 175.792 174.700 -0.044 0.000 1.014 296 T CA -0.334 61.742 62.100 -0.040 0.000 1.049 296 T CB 1.062 69.906 68.868 -0.041 0.000 1.001 296 T HN 0.746 nan 8.240 nan 0.000 0.525 297 E N 1.100 121.280 120.200 -0.033 0.000 2.118 297 E HA -0.182 4.168 4.350 0.000 0.000 0.195 297 E C 1.482 178.057 176.600 -0.041 0.000 0.992 297 E CA 1.563 57.945 56.400 -0.031 0.000 0.804 297 E CB 0.163 29.849 29.700 -0.023 0.000 0.741 297 E HN 0.662 nan 8.360 nan 0.000 0.458 298 E N 0.428 120.601 120.200 -0.045 0.000 2.072 298 E HA -0.119 4.231 4.350 0.000 0.000 0.191 298 E C 1.908 178.468 176.600 -0.066 0.000 0.985 298 E CA 1.124 57.493 56.400 -0.051 0.000 0.801 298 E CB -0.305 29.366 29.700 -0.049 0.000 0.750 298 E HN 0.313 nan 8.360 nan 0.000 0.452 299 A N 1.471 124.243 122.820 -0.080 0.000 1.940 299 A HA -0.249 4.071 4.320 0.000 0.000 0.219 299 A C 1.995 179.505 177.584 -0.123 0.000 1.176 299 A CA 1.491 53.460 52.037 -0.113 0.000 0.631 299 A CB -0.375 18.543 19.000 -0.137 0.000 0.814 299 A HN 0.095 nan 8.150 nan 0.000 0.446 300 E N -0.263 119.880 120.200 -0.095 0.000 2.051 300 E HA -0.152 4.198 4.350 0.000 0.000 0.192 300 E C 1.915 178.478 176.600 -0.062 0.000 0.991 300 E CA 1.230 57.584 56.400 -0.078 0.000 0.799 300 E CB -0.328 29.345 29.700 -0.045 0.000 0.748 300 E HN 0.631 nan 8.360 nan 0.000 0.449 301 L N 0.800 121.991 121.223 -0.054 0.000 2.313 301 L HA -0.058 4.283 4.340 0.000 0.000 0.214 301 L C 2.402 179.241 176.870 -0.053 0.000 1.119 301 L CA 0.817 55.630 54.840 -0.045 0.000 0.809 301 L CB -0.223 41.814 42.059 -0.038 0.000 0.933 301 L HN 0.077 nan 8.230 nan 0.000 0.449 302 E N 0.548 120.708 120.200 -0.066 0.000 2.028 302 E HA -0.233 4.117 4.350 0.000 0.000 0.191 302 E C 2.316 178.868 176.600 -0.079 0.000 0.988 302 E CA 1.109 57.466 56.400 -0.072 0.000 0.799 302 E CB -0.065 29.585 29.700 -0.083 0.000 0.755 302 E HN 0.428 nan 8.360 nan 0.000 0.447 303 L N 0.369 121.531 121.223 -0.102 0.000 2.012 303 L HA -0.215 4.126 4.340 0.000 0.000 0.210 303 L C 2.506 179.339 176.870 -0.062 0.000 1.073 303 L CA 1.454 56.229 54.840 -0.109 0.000 0.748 303 L CB -0.358 41.604 42.059 -0.163 0.000 0.891 303 L HN 0.242 nan 8.230 nan 0.000 0.431 304 A N -0.783 122.009 122.820 -0.048 0.000 1.908 304 A HA -0.252 4.068 4.320 0.000 0.000 0.218 304 A C 2.124 179.692 177.584 -0.027 0.000 1.181 304 A CA 1.778 53.799 52.037 -0.026 0.000 0.627 304 A CB -0.556 18.432 19.000 -0.021 0.000 0.818 304 A HN 0.505 nan 8.150 nan 0.000 0.445 305 E N -0.226 119.953 120.200 -0.034 0.000 2.110 305 E HA -0.178 4.172 4.350 0.000 0.000 0.193 305 E C 1.661 178.243 176.600 -0.031 0.000 0.988 305 E CA 1.046 57.427 56.400 -0.031 0.000 0.804 305 E CB -0.207 29.472 29.700 -0.036 0.000 0.745 305 E HN 0.550 nan 8.360 nan 0.000 0.458 306 N N 0.824 119.499 118.700 -0.042 0.000 2.142 306 N HA -0.114 4.627 4.740 0.000 0.000 0.186 306 N C 1.763 177.244 175.510 -0.048 0.000 1.023 306 N CA 0.842 53.863 53.050 -0.049 0.000 0.852 306 N CB -0.227 38.222 38.487 -0.063 0.000 0.998 306 N HN 0.190 nan 8.380 nan 0.000 0.424 307 R N 0.723 121.202 120.500 -0.035 0.000 2.105 307 R HA -0.122 4.218 4.340 0.000 0.000 0.239 307 R C 1.855 178.147 176.300 -0.013 0.000 1.135 307 R CA 1.035 57.122 56.100 -0.022 0.000 0.967 307 R CB -0.229 30.070 30.300 -0.003 0.000 0.861 307 R HN 0.218 nan 8.270 nan 0.000 0.442 308 E N 1.225 121.420 120.200 -0.009 0.000 2.110 308 E HA -0.125 4.225 4.350 0.000 0.000 0.193 308 E C 1.787 178.397 176.600 0.016 0.000 0.988 308 E CA 1.164 57.564 56.400 0.000 0.000 0.804 308 E CB -0.051 29.645 29.700 -0.006 0.000 0.745 308 E HN 0.340 nan 8.360 nan 0.000 0.458 309 I N -0.297 120.285 120.570 0.020 0.000 2.333 309 I HA -0.162 4.008 4.170 0.000 0.000 0.246 309 I C 1.742 177.941 176.117 0.137 0.000 1.106 309 I CA 0.686 62.032 61.300 0.077 0.000 1.411 309 I CB -0.152 37.897 38.000 0.082 0.000 1.082 309 I HN 0.028 nan 8.210 nan 0.000 0.420 310 L N 0.929 122.143 121.223 -0.014 0.000 2.627 310 L HA 0.002 4.343 4.340 0.000 0.000 0.233 310 L C 2.271 179.149 176.870 0.013 0.000 1.144 310 L CA 0.377 55.142 54.840 -0.124 0.000 0.892 310 L CB -0.464 41.432 42.059 -0.273 0.000 1.039 310 L HN 0.201 nan 8.230 nan 0.000 0.442 311 K N 1.282 121.711 120.400 0.048 0.000 2.001 311 K HA -0.110 4.210 4.320 0.000 0.000 0.208 311 K C 0.142 176.783 176.600 0.068 0.000 1.048 311 K CA 1.093 57.406 56.287 0.044 0.000 0.932 311 K CB 0.322 32.840 32.500 0.030 0.000 0.715 311 K HN 0.289 nan 8.250 nan 0.000 0.437 312 E N 0.919 121.174 120.200 0.092 0.000 2.195 312 E HA 0.312 4.663 4.350 0.000 0.000 0.271 312 E C -2.586 174.095 176.600 0.135 0.000 0.923 312 E CA -2.940 53.510 56.400 0.084 0.000 0.790 312 E CB 1.090 30.812 29.700 0.037 0.000 1.155 312 E HN -0.021 nan 8.360 nan 0.000 0.402 313 P HA 0.131 nan 4.420 nan 0.000 0.271 313 P C -0.960 176.297 177.300 -0.073 0.000 1.216 313 P CA -0.384 62.778 63.100 0.104 0.000 0.771 313 P CB 0.646 32.398 31.700 0.087 0.000 0.864 314 V N 3.787 123.497 119.914 -0.340 0.000 2.604 314 V HA 0.433 4.553 4.120 0.000 0.000 0.305 314 V C 0.195 176.005 176.094 -0.472 0.000 1.043 314 V CA -0.633 61.353 62.300 -0.523 0.000 0.888 314 V CB 1.530 32.845 31.823 -0.847 0.000 0.995 314 V HN 0.724 nan 8.190 nan 0.000 0.429 315 H N 1.843 120.649 119.070 -0.440 0.000 2.797 315 H HA 0.853 5.409 4.556 0.001 0.000 0.362 315 H C -0.285 174.672 175.328 -0.619 0.000 1.183 315 H CA -0.753 54.986 56.048 -0.515 0.000 1.197 315 H CB 2.418 31.950 29.762 -0.384 0.000 1.835 315 H HN 0.770 nan 8.280 nan 0.000 0.567 316 G N 0.120 108.392 108.800 -0.879 0.000 2.473 316 G HA2 0.502 4.462 3.960 0.000 0.000 0.321 316 G HA3 0.502 4.462 3.960 0.000 0.000 0.321 316 G C -0.131 174.495 174.900 -0.457 0.000 1.200 316 G CA -0.328 44.280 45.100 -0.820 0.000 0.963 316 G HN 0.715 nan 8.290 nan 0.000 0.483 317 V N -1.384 118.461 119.914 -0.115 0.000 3.211 317 V HA 0.721 4.842 4.120 0.000 0.000 0.319 317 V C -0.196 175.967 176.094 0.116 0.000 1.096 317 V CA -1.193 61.103 62.300 -0.006 0.000 1.029 317 V CB 0.928 32.788 31.823 0.061 0.000 1.137 317 V HN 0.594 nan 8.190 nan 0.000 0.453 318 Y N -0.238 120.262 120.300 0.334 0.000 2.486 318 Y HA 0.556 5.105 4.550 -0.003 0.000 0.356 318 Y C -0.170 175.926 175.900 0.327 0.000 1.330 318 Y CA -0.326 57.972 58.100 0.331 0.000 1.557 318 Y CB 0.420 39.029 38.460 0.248 0.000 1.647 318 Y HN 0.749 nan 8.280 nan 0.000 0.585 319 Y N 1.015 121.547 120.300 0.386 0.000 2.352 319 Y HA 0.357 4.908 4.550 0.002 0.000 0.339 319 Y C -1.154 174.836 175.900 0.151 0.000 0.992 319 Y CA -1.600 56.641 58.100 0.235 0.000 1.100 319 Y CB 1.162 39.837 38.460 0.359 0.000 1.192 319 Y HN 0.492 nan 8.280 nan 0.000 0.458 320 D N 8.056 128.105 120.400 -0.586 0.000 2.414 320 D HA 0.340 4.980 4.640 0.000 0.000 0.232 320 D C -2.257 173.461 176.300 -0.971 0.000 1.070 320 D CA -2.595 51.056 54.000 -0.582 0.000 0.839 320 D CB 2.307 42.958 40.800 -0.250 0.000 1.079 320 D HN 0.335 nan 8.370 nan 0.000 0.521 321 P HA -0.135 nan 4.420 nan 0.000 0.218 321 P C 1.220 178.406 177.300 -0.190 0.000 1.148 321 P CA 1.110 63.947 63.100 -0.439 0.000 0.822 321 P CB 0.204 31.831 31.700 -0.122 0.000 0.784 322 S N -2.355 113.238 115.700 -0.177 0.000 2.489 322 S HA 0.046 4.516 4.470 0.000 0.000 0.228 322 S C 0.841 175.384 174.600 -0.095 0.000 0.995 322 S CA 0.346 58.487 58.200 -0.098 0.000 0.934 322 S CB -0.524 62.629 63.200 -0.078 0.000 0.771 322 S HN 0.083 nan 8.310 nan 0.000 0.522 323 K N 1.490 121.808 120.400 -0.137 0.000 2.118 323 K HA 0.392 4.712 4.320 0.000 0.000 0.254 323 K C -0.879 175.664 176.600 -0.094 0.000 0.961 323 K CA -0.812 55.410 56.287 -0.109 0.000 0.876 323 K CB 0.734 33.166 32.500 -0.113 0.000 1.077 323 K HN 0.114 nan 8.250 nan 0.000 0.440 324 D N 1.212 121.560 120.400 -0.087 0.000 2.371 324 D HA 0.181 4.821 4.640 0.000 0.000 0.242 324 D C -0.185 176.019 176.300 -0.160 0.000 1.218 324 D CA 0.029 53.969 54.000 -0.100 0.000 0.945 324 D CB 0.669 41.408 40.800 -0.103 0.000 1.137 324 D HN 0.189 nan 8.370 nan 0.000 0.464 325 L N 1.332 122.420 121.223 -0.224 0.000 2.296 325 L HA 0.341 4.681 4.340 0.000 0.000 0.286 325 L C -0.471 176.137 176.870 -0.437 0.000 1.023 325 L CA -0.720 53.896 54.840 -0.373 0.000 0.812 325 L CB 1.370 43.147 42.059 -0.470 0.000 1.223 325 L HN 0.089 nan 8.230 nan 0.000 0.421 326 I N 3.165 123.385 120.570 -0.583 0.000 2.362 326 I HA 0.517 4.687 4.170 0.000 0.000 0.289 326 I C 0.255 175.895 176.117 -0.795 0.000 0.994 326 I CA -0.501 60.374 61.300 -0.708 0.000 1.158 326 I CB 1.411 38.887 38.000 -0.873 0.000 1.315 326 I HN 0.554 nan 8.210 nan 0.000 0.451 327 A N 6.694 129.113 122.820 -0.668 0.000 2.317 327 A HA 0.747 5.067 4.320 0.000 0.000 0.327 327 A C -0.213 177.224 177.584 -0.245 0.000 1.178 327 A CA -0.552 51.169 52.037 -0.526 0.000 0.817 327 A CB 1.153 19.626 19.000 -0.879 0.000 1.189 327 A HN 0.730 nan 8.150 nan 0.000 0.489 328 E N 1.581 121.769 120.200 -0.020 0.000 2.248 328 E HA 0.580 4.930 4.350 0.000 0.000 0.267 328 E C -1.373 175.344 176.600 0.196 0.000 0.877 328 E CA -0.413 56.056 56.400 0.115 0.000 0.759 328 E CB 2.333 32.145 29.700 0.188 0.000 1.182 328 E HN 0.602 nan 8.360 nan 0.000 0.418 329 I N 2.076 122.762 120.570 0.193 0.000 2.545 329 I HA 0.263 4.433 4.170 0.000 0.000 0.292 329 I C -0.702 175.547 176.117 0.220 0.000 1.040 329 I CA -0.897 60.549 61.300 0.243 0.000 1.068 329 I CB 1.884 40.011 38.000 0.213 0.000 1.251 329 I HN 0.304 nan 8.210 nan 0.000 0.424 330 Q N 4.215 124.153 119.800 0.229 0.000 2.377 330 Q HA 0.427 4.768 4.340 0.000 0.000 0.271 330 Q C -0.753 175.308 176.000 0.101 0.000 1.077 330 Q CA -0.838 55.048 55.803 0.139 0.000 0.820 330 Q CB 2.474 31.246 28.738 0.056 0.000 1.347 330 Q HN 0.346 nan 8.270 nan 0.000 0.444 331 K N 1.511 121.842 120.400 -0.115 0.000 2.276 331 K HA 0.135 4.455 4.320 0.000 0.000 0.283 331 K C -0.001 176.385 176.600 -0.356 0.000 1.044 331 K CA 0.228 56.164 56.287 -0.586 0.000 0.944 331 K CB 0.648 32.697 32.500 -0.752 0.000 1.012 331 K HN 0.663 nan 8.250 nan 0.000 0.472 332 Q N 1.878 121.450 119.800 -0.380 0.000 2.378 332 Q HA 0.190 4.530 4.340 0.000 0.000 0.216 332 Q C 0.292 176.170 176.000 -0.202 0.000 0.892 332 Q CA 0.166 55.842 55.803 -0.211 0.000 0.931 332 Q CB 1.230 29.887 28.738 -0.136 0.000 1.086 332 Q HN 0.941 nan 8.270 nan 0.000 0.528 333 G N 0.053 108.685 108.800 -0.281 0.000 2.343 333 G HA2 -0.057 3.903 3.960 0.000 0.000 0.289 333 G HA3 -0.057 3.903 3.960 0.000 0.000 0.289 333 G C -1.580 173.183 174.900 -0.228 0.000 1.295 333 G CA -1.012 43.968 45.100 -0.201 0.000 0.869 333 G HN -0.046 nan 8.290 nan 0.000 0.522 334 Q N 0.468 120.184 119.800 -0.140 0.000 2.244 334 Q HA 0.358 4.698 4.340 0.000 0.000 0.276 334 Q C 1.424 177.386 176.000 -0.064 0.000 1.122 334 Q CA 1.592 57.337 55.803 -0.097 0.000 0.920 334 Q CB 0.546 29.244 28.738 -0.066 0.000 1.186 334 Q HN 2.091 nan 8.270 nan 0.000 0.393 335 G N 3.251 112.045 108.800 -0.010 0.000 2.234 335 G HA2 -0.316 3.644 3.960 0.000 0.000 0.260 335 G HA3 -0.316 3.644 3.960 0.000 0.000 0.260 335 G C 0.136 175.113 174.900 0.128 0.000 0.987 335 G CA 0.050 45.219 45.100 0.115 0.000 0.625 335 G HN 0.566 nan 8.290 nan 0.000 0.532 336 Q N -0.736 119.003 119.800 -0.101 0.000 2.257 336 Q HA 0.590 4.930 4.340 0.000 0.000 0.255 336 Q C -0.907 174.925 176.000 -0.280 0.000 0.920 336 Q CA -0.520 55.239 55.803 -0.073 0.000 0.927 336 Q CB 0.925 29.607 28.738 -0.093 0.000 1.229 336 Q HN 0.419 nan 8.270 nan 0.000 0.433 337 W N 0.607 121.966 121.300 0.098 0.000 3.022 337 W HA 0.500 5.160 4.660 -0.000 0.000 0.335 337 W C -0.383 176.228 176.519 0.154 0.000 1.133 337 W CA -0.601 56.828 57.345 0.140 0.000 1.219 337 W CB 2.099 31.689 29.460 0.215 0.000 1.409 337 W HN 0.330 nan 8.180 nan 0.000 0.507 338 T N 2.075 116.829 114.554 0.334 0.000 2.900 338 T HA 0.713 5.063 4.350 0.000 0.000 0.295 338 T C -1.552 173.317 174.700 0.283 0.000 1.044 338 T CA -0.445 61.782 62.100 0.212 0.000 0.995 338 T CB 0.774 69.689 68.868 0.078 0.000 1.072 338 T HN 0.338 nan 8.240 nan 0.000 0.473 339 Y N 1.305 121.690 120.300 0.142 0.000 2.581 339 Y HA 0.863 5.413 4.550 -0.000 0.000 0.345 339 Y C -1.218 174.744 175.900 0.103 0.000 1.036 339 Y CA -1.257 56.917 58.100 0.123 0.000 1.042 339 Y CB 1.391 39.925 38.460 0.124 0.000 1.289 339 Y HN 0.451 nan 8.280 nan 0.000 0.471 340 Q N 2.184 122.155 119.800 0.284 0.000 2.359 340 Q HA 0.680 5.021 4.340 0.000 0.000 0.274 340 Q C -1.562 174.567 176.000 0.216 0.000 1.074 340 Q CA -0.525 55.405 55.803 0.212 0.000 0.810 340 Q CB 3.263 32.131 28.738 0.218 0.000 1.342 340 Q HN 0.757 nan 8.270 nan 0.000 0.427 341 I N 3.146 123.827 120.570 0.186 0.000 2.436 341 I HA 0.599 4.769 4.170 0.000 0.000 0.289 341 I C -1.164 174.968 176.117 0.025 0.000 1.010 341 I CA -1.083 60.218 61.300 0.002 0.000 1.098 341 I CB 0.932 38.959 38.000 0.046 0.000 1.266 341 I HN 0.657 nan 8.210 nan 0.000 0.434 342 Y N 3.047 123.277 120.300 -0.116 0.000 2.670 342 Y HA 0.494 5.044 4.550 -0.000 0.000 0.334 342 Y C -0.270 175.528 175.900 -0.171 0.000 1.185 342 Y CA -0.931 57.099 58.100 -0.117 0.000 1.053 342 Y CB 1.095 39.507 38.460 -0.080 0.000 1.298 342 Y HN 0.467 nan 8.280 nan 0.000 0.459 343 Q N -0.187 119.688 119.800 0.124 0.000 2.471 343 Q HA 0.253 4.593 4.340 0.000 0.000 0.241 343 Q C -0.587 175.473 176.000 0.100 0.000 0.886 343 Q CA 0.171 55.985 55.803 0.019 0.000 0.953 343 Q CB 1.271 29.981 28.738 -0.047 0.000 1.108 343 Q HN 0.672 nan 8.270 nan 0.000 0.575 344 E N 2.153 122.406 120.200 0.088 0.000 2.145 344 E HA 0.256 4.606 4.350 0.000 0.000 0.270 344 E C -2.573 173.848 176.600 -0.299 0.000 0.906 344 E CA -2.375 53.991 56.400 -0.057 0.000 0.761 344 E CB 1.609 31.259 29.700 -0.082 0.000 1.116 344 E HN -0.117 nan 8.360 nan 0.000 0.408 345 P HA -0.176 nan 4.420 nan 0.000 0.241 345 P C -0.748 175.796 177.300 -1.260 0.000 1.093 345 P CA 1.003 63.292 63.100 -1.351 0.000 0.843 345 P CB -0.286 30.765 31.700 -1.082 0.000 0.760 346 F N 0.812 120.163 119.950 -0.999 0.000 2.582 346 F HA -0.221 4.306 4.527 0.000 0.000 0.350 346 F C 0.742 176.338 175.800 -0.340 0.000 0.615 346 F CA 0.250 57.912 58.000 -0.564 0.000 1.488 346 F CB -2.172 36.611 39.000 -0.362 0.000 1.958 346 F HN 0.308 nan 8.300 nan 0.000 0.294 347 K N 2.168 122.451 120.400 -0.195 0.000 2.180 347 K HA 0.217 4.537 4.320 0.000 0.000 0.250 347 K C 0.186 176.769 176.600 -0.027 0.000 1.135 347 K CA -0.433 55.789 56.287 -0.108 0.000 1.037 347 K CB 0.109 32.559 32.500 -0.084 0.000 1.624 347 K HN 0.050 nan 8.250 nan 0.000 0.382 348 N N 2.241 120.924 118.700 -0.028 0.000 2.458 348 N HA -0.039 4.702 4.740 0.000 0.000 0.258 348 N C 1.127 176.677 175.510 0.066 0.000 1.219 348 N CA 0.019 53.105 53.050 0.061 0.000 0.902 348 N CB 0.725 39.216 38.487 0.007 0.000 1.076 348 N HN 0.246 nan 8.380 nan 0.000 0.455 349 L N 1.879 123.210 121.223 0.180 0.000 2.068 349 L HA 0.024 4.364 4.340 0.000 0.000 0.204 349 L C 0.995 178.162 176.870 0.496 0.000 1.076 349 L CA 1.552 56.596 54.840 0.340 0.000 0.753 349 L CB -0.262 42.009 42.059 0.354 0.000 0.910 349 L HN 0.692 nan 8.230 nan 0.000 0.439 350 K N -2.490 118.148 120.400 0.396 0.000 2.579 350 K HA 0.528 4.848 4.320 0.000 0.000 0.284 350 K C -0.731 175.987 176.600 0.196 0.000 0.990 350 K CA -0.512 56.005 56.287 0.384 0.000 0.880 350 K CB 1.652 34.442 32.500 0.483 0.000 1.488 350 K HN -0.086 nan 8.250 nan 0.000 0.425 351 T N -2.129 112.466 114.554 0.069 0.000 2.819 351 T HA 0.911 5.261 4.350 0.000 0.000 0.271 351 T C 0.320 174.768 174.700 -0.419 0.000 0.986 351 T CA -0.279 61.745 62.100 -0.126 0.000 0.989 351 T CB 1.603 70.403 68.868 -0.113 0.000 1.396 351 T HN 1.107 nan 8.240 nan 0.000 0.597 352 G N -0.230 108.085 108.800 -0.808 0.000 2.322 352 G HA2 0.533 4.493 3.960 0.000 0.000 0.295 352 G HA3 0.533 4.493 3.960 0.000 0.000 0.295 352 G C -2.107 172.393 174.900 -0.667 0.000 1.369 352 G CA -0.750 43.803 45.100 -0.912 0.000 0.821 352 G HN 0.998 nan 8.290 nan 0.000 0.536 353 K N -1.315 118.997 120.400 -0.147 0.000 2.508 353 K HA 0.759 5.080 4.320 0.000 0.000 0.260 353 K C -2.066 174.753 176.600 0.365 0.000 0.949 353 K CA -1.117 55.254 56.287 0.140 0.000 0.834 353 K CB 2.865 35.410 32.500 0.075 0.000 1.365 353 K HN 0.681 nan 8.250 nan 0.000 0.437 354 Y N 0.540 121.006 120.300 0.277 0.000 2.462 354 Y HA 0.611 5.161 4.550 0.000 0.000 0.346 354 Y C -0.541 175.508 175.900 0.248 0.000 0.976 354 Y CA -0.191 58.044 58.100 0.226 0.000 1.044 354 Y CB 2.355 40.913 38.460 0.163 0.000 1.230 354 Y HN 0.872 nan 8.280 nan 0.000 0.455 355 A N 4.706 127.189 122.820 -0.562 0.000 1.857 355 A HA 0.229 4.549 4.320 0.000 0.000 0.198 355 A C 0.507 177.787 177.584 -0.507 0.000 1.775 355 A CA -0.364 51.477 52.037 -0.327 0.000 1.281 355 A CB -0.178 18.745 19.000 -0.128 0.000 1.355 355 A HN 0.676 nan 8.150 nan 0.000 0.417 356 R N 0.209 120.271 120.500 -0.729 0.000 2.478 356 R HA -0.087 4.253 4.340 0.000 0.000 0.277 356 R C -0.245 175.950 176.300 -0.175 0.000 0.913 356 R CA 0.511 56.391 56.100 -0.366 0.000 1.125 356 R CB -0.036 30.107 30.300 -0.261 0.000 0.863 356 R HN 0.358 nan 8.270 nan 0.000 0.426 357 M N 5.450 125.008 119.600 -0.071 0.000 2.135 357 M HA 0.145 4.625 4.480 0.000 0.000 0.345 357 M C -0.402 175.909 176.300 0.017 0.000 1.340 357 M CA 0.512 55.805 55.300 -0.011 0.000 1.162 357 M CB 0.529 33.121 32.600 -0.013 0.000 1.570 357 M HN 0.375 nan 8.290 nan 0.000 0.454 358 R N 4.458 124.989 120.500 0.053 0.000 2.235 358 R HA 0.547 4.887 4.340 0.000 0.000 0.338 358 R C 0.494 176.832 176.300 0.064 0.000 1.087 358 R CA 0.573 56.715 56.100 0.071 0.000 0.948 358 R CB -0.005 30.358 30.300 0.105 0.000 1.099 358 R HN 1.079 nan 8.270 nan 0.000 0.483 359 G N 1.686 110.510 108.800 0.041 0.000 2.584 359 G HA2 -0.314 3.646 3.960 0.000 0.000 0.229 359 G HA3 -0.314 3.646 3.960 0.000 0.000 0.229 359 G C 0.324 175.191 174.900 -0.055 0.000 1.320 359 G CA -0.145 44.968 45.100 0.021 0.000 0.891 359 G HN 0.558 nan 8.290 nan 0.000 0.573 360 A N -1.567 121.158 122.820 -0.158 0.000 1.942 360 A HA 0.493 4.813 4.320 0.000 0.000 0.209 360 A C 0.898 178.127 177.584 -0.593 0.000 1.214 360 A CA 1.705 53.468 52.037 -0.458 0.000 0.686 360 A CB 0.039 18.617 19.000 -0.704 0.000 0.871 360 A HN 1.101 nan 8.150 nan 0.000 0.460 361 H N -0.876 118.243 119.070 0.081 0.000 2.689 361 H HA 0.554 5.110 4.556 0.000 0.000 0.346 361 H C -0.970 174.413 175.328 0.092 0.000 1.037 361 H CA -0.023 56.069 56.048 0.074 0.000 1.234 361 H CB 1.381 31.181 29.762 0.063 0.000 1.572 361 H HN 0.204 nan 8.280 nan 0.000 0.524 362 T N 1.832 116.486 114.554 0.166 0.000 2.804 362 T HA 0.463 4.813 4.350 0.000 0.000 0.290 362 T C -0.963 173.778 174.700 0.069 0.000 1.099 362 T CA -0.815 61.354 62.100 0.114 0.000 1.011 362 T CB 1.887 70.808 68.868 0.089 0.000 1.291 362 T HN 0.884 nan 8.240 nan 0.000 0.523 363 N N -0.179 118.515 118.700 -0.010 0.000 2.647 363 N HA 0.422 5.162 4.740 0.000 0.000 0.266 363 N C -0.146 175.327 175.510 -0.063 0.000 1.373 363 N CA -0.670 52.350 53.050 -0.050 0.000 0.807 363 N CB 0.545 38.949 38.487 -0.139 0.000 1.513 363 N HN 0.322 nan 8.380 nan 0.000 0.505 364 D N -0.306 120.114 120.400 0.034 0.000 2.149 364 D HA -0.102 4.538 4.640 0.000 0.000 0.198 364 D C 1.618 177.892 176.300 -0.043 0.000 0.990 364 D CA 1.113 55.225 54.000 0.185 0.000 0.839 364 D CB -0.122 40.855 40.800 0.295 0.000 0.948 364 D HN 0.378 nan 8.370 nan 0.000 0.460 365 V N 0.644 120.374 119.914 -0.307 0.000 2.358 365 V HA -0.216 3.904 4.120 0.000 0.000 0.246 365 V C 2.296 178.083 176.094 -0.512 0.000 1.047 365 V CA 1.443 63.447 62.300 -0.493 0.000 1.035 365 V CB -0.355 30.933 31.823 -0.891 0.000 0.658 365 V HN 0.145 nan 8.190 nan 0.000 0.452 366 K N -0.219 119.852 120.400 -0.548 0.000 2.063 366 K HA -0.210 4.110 4.320 0.000 0.000 0.208 366 K C 2.337 178.789 176.600 -0.247 0.000 1.048 366 K CA 1.630 57.738 56.287 -0.297 0.000 0.928 366 K CB -0.209 32.182 32.500 -0.182 0.000 0.713 366 K HN 0.521 nan 8.250 nan 0.000 0.442 367 Q N 0.451 120.099 119.800 -0.253 0.000 2.119 367 Q HA -0.086 4.254 4.340 0.000 0.000 0.201 367 Q C 2.183 177.668 176.000 -0.858 0.000 0.972 367 Q CA 0.768 56.362 55.803 -0.348 0.000 0.847 367 Q CB -0.010 28.683 28.738 -0.076 0.000 0.903 367 Q HN 0.351 nan 8.270 nan 0.000 0.433 368 L N 0.854 121.520 121.223 -0.930 0.000 2.046 368 L HA -0.178 4.162 4.340 0.000 0.000 0.208 368 L C 2.623 179.039 176.870 -0.756 0.000 1.077 368 L CA 1.995 56.238 54.840 -0.996 0.000 0.747 368 L CB -0.561 41.101 42.059 -0.662 0.000 0.896 368 L HN 0.394 nan 8.230 nan 0.000 0.432 369 T N -3.926 110.294 114.554 -0.557 0.000 2.985 369 T HA -0.155 4.195 4.350 0.000 0.000 0.266 369 T C 1.514 175.937 174.700 -0.461 0.000 1.076 369 T CA 1.031 62.844 62.100 -0.477 0.000 1.135 369 T CB -0.176 68.576 68.868 -0.194 0.000 0.890 369 T HN 0.380 nan 8.240 nan 0.000 0.480 370 E N 1.234 121.155 120.200 -0.465 0.000 2.110 370 E HA 0.053 4.404 4.350 0.000 0.000 0.193 370 E C 2.554 178.638 176.600 -0.860 0.000 0.988 370 E CA 1.084 57.187 56.400 -0.496 0.000 0.804 370 E CB -0.332 29.172 29.700 -0.326 0.000 0.745 370 E HN 0.710 nan 8.360 nan 0.000 0.458 371 A N 0.633 122.798 122.820 -1.092 0.000 1.930 371 A HA -0.115 4.205 4.320 0.000 0.000 0.217 371 A C 2.446 179.628 177.584 -0.671 0.000 1.175 371 A CA 0.920 52.331 52.037 -1.044 0.000 0.627 371 A CB -0.511 17.986 19.000 -0.839 0.000 0.815 371 A HN 0.117 nan 8.150 nan 0.000 0.443 372 V N -0.282 119.213 119.914 -0.699 0.000 2.343 372 V HA -0.283 3.837 4.120 0.000 0.000 0.247 372 V C 2.767 178.530 176.094 -0.553 0.000 1.051 372 V CA 2.303 64.109 62.300 -0.823 0.000 1.036 372 V CB -0.749 30.420 31.823 -1.091 0.000 0.654 372 V HN 0.523 nan 8.190 nan 0.000 0.451 373 Q N 0.124 119.662 119.800 -0.437 0.000 2.020 373 Q HA -0.184 4.156 4.340 0.000 0.000 0.202 373 Q C 2.322 178.201 176.000 -0.201 0.000 0.982 373 Q CA 1.817 57.463 55.803 -0.263 0.000 0.838 373 Q CB -0.541 28.075 28.738 -0.204 0.000 0.899 373 Q HN 0.560 nan 8.270 nan 0.000 0.423 374 K N 0.145 120.391 120.400 -0.257 0.000 2.063 374 K HA -0.151 4.170 4.320 0.000 0.000 0.208 374 K C 1.959 178.464 176.600 -0.158 0.000 1.048 374 K CA 1.363 57.548 56.287 -0.170 0.000 0.928 374 K CB -0.245 32.152 32.500 -0.172 0.000 0.713 374 K HN 0.229 nan 8.250 nan 0.000 0.442 375 I N 0.724 121.150 120.570 -0.239 0.000 2.252 375 I HA -0.232 3.938 4.170 0.000 0.000 0.245 375 I C 2.229 178.334 176.117 -0.020 0.000 1.102 375 I CA 1.269 62.437 61.300 -0.221 0.000 1.385 375 I CB -0.386 37.450 38.000 -0.273 0.000 1.064 375 I HN 0.181 nan 8.210 nan 0.000 0.414 376 T N 0.128 114.711 114.554 0.048 0.000 2.684 376 T HA -0.192 4.158 4.350 0.000 0.000 0.267 376 T C 1.933 176.649 174.700 0.027 0.000 1.036 376 T CA 2.160 64.311 62.100 0.085 0.000 1.148 376 T CB -0.429 68.464 68.868 0.042 0.000 0.863 376 T HN 0.372 nan 8.240 nan 0.000 0.436 377 T N 1.569 116.116 114.554 -0.013 0.000 2.652 377 T HA -0.154 4.196 4.350 0.000 0.000 0.267 377 T C 1.926 176.606 174.700 -0.033 0.000 1.039 377 T CA 1.630 63.720 62.100 -0.017 0.000 1.153 377 T CB -0.353 68.502 68.868 -0.022 0.000 0.863 377 T HN 0.582 nan 8.240 nan 0.000 0.428 378 E N 0.686 120.856 120.200 -0.050 0.000 2.085 378 E HA -0.153 4.197 4.350 0.000 0.000 0.194 378 E C 2.274 178.795 176.600 -0.131 0.000 0.994 378 E CA 1.376 57.717 56.400 -0.097 0.000 0.801 378 E CB -0.114 29.538 29.700 -0.079 0.000 0.743 378 E HN 0.359 nan 8.360 nan 0.000 0.453 379 S N 0.449 116.156 115.700 0.012 0.000 2.382 379 S HA -0.118 4.353 4.470 0.000 0.000 0.228 379 S C 1.937 176.593 174.600 0.094 0.000 1.027 379 S CA 1.095 59.416 58.200 0.202 0.000 0.991 379 S CB -0.190 63.162 63.200 0.253 0.000 0.823 379 S HN 0.308 nan 8.310 nan 0.000 0.469 380 I N 0.998 121.585 120.570 0.028 0.000 2.163 380 I HA -0.142 4.028 4.170 0.000 0.000 0.240 380 I C 2.220 178.308 176.117 -0.048 0.000 1.081 380 I CA 0.882 62.190 61.300 0.014 0.000 1.353 380 I CB -0.634 37.379 38.000 0.021 0.000 1.054 380 I HN 0.135 nan 8.210 nan 0.000 0.407 381 V N 1.477 121.336 119.914 -0.090 0.000 2.252 381 V HA -0.315 3.805 4.120 0.000 0.000 0.249 381 V C 2.292 178.245 176.094 -0.235 0.000 1.056 381 V CA 2.174 64.396 62.300 -0.130 0.000 1.022 381 V CB -0.472 31.273 31.823 -0.129 0.000 0.641 381 V HN 0.346 nan 8.190 nan 0.000 0.445 382 I N -2.115 118.197 120.570 -0.430 0.000 2.406 382 I HA -0.154 4.016 4.170 0.000 0.000 0.249 382 I C 1.992 177.632 176.117 -0.795 0.000 1.122 382 I CA 1.396 62.220 61.300 -0.793 0.000 1.431 382 I CB -0.187 36.938 38.000 -1.459 0.000 1.087 382 I HN 0.414 nan 8.210 nan 0.000 0.424 383 W N -0.114 121.040 121.300 -0.243 0.000 2.725 383 W HA 0.365 5.025 4.660 -0.001 0.000 0.336 383 W C 1.485 177.888 176.519 -0.193 0.000 1.012 383 W CA 0.603 57.716 57.345 -0.387 0.000 1.566 383 W CB -0.082 29.018 29.460 -0.600 0.000 1.068 383 W HN 0.275 nan 8.180 nan 0.000 0.546 384 G N 2.420 111.257 108.800 0.062 0.000 2.148 384 G HA2 -0.308 3.652 3.960 0.000 0.000 0.254 384 G HA3 -0.308 3.652 3.960 0.000 0.000 0.254 384 G C 0.187 175.140 174.900 0.088 0.000 0.981 384 G CA 1.044 46.185 45.100 0.069 0.000 0.670 384 G HN 0.347 nan 8.290 nan 0.000 0.528 385 K N -1.167 119.297 120.400 0.107 0.000 2.556 385 K HA 0.690 5.010 4.320 0.000 0.000 0.274 385 K C -0.203 176.444 176.600 0.078 0.000 0.966 385 K CA -0.363 55.976 56.287 0.086 0.000 0.865 385 K CB 0.977 33.528 32.500 0.085 0.000 1.444 385 K HN 0.507 nan 8.250 nan 0.000 0.433 386 T N -0.544 114.042 114.554 0.053 0.000 2.913 386 T HA 0.523 4.873 4.350 0.000 0.000 0.287 386 T C -2.154 172.517 174.700 -0.048 0.000 1.008 386 T CA -1.317 60.806 62.100 0.040 0.000 1.067 386 T CB 0.844 69.759 68.868 0.078 0.000 0.996 386 T HN 0.495 nan 8.240 nan 0.000 0.513 387 P HA 0.388 nan 4.420 nan 0.000 0.283 387 P C -1.003 176.077 177.300 -0.367 0.000 1.271 387 P CA -0.986 61.893 63.100 -0.369 0.000 0.841 387 P CB 0.754 32.076 31.700 -0.631 0.000 1.122 388 K N 1.433 121.630 120.400 -0.339 0.000 2.276 388 K HA 0.350 4.670 4.320 0.000 0.000 0.285 388 K C -0.309 176.114 176.600 -0.296 0.000 1.062 388 K CA -0.173 55.991 56.287 -0.204 0.000 0.918 388 K CB 0.167 32.579 32.500 -0.147 0.000 1.055 388 K HN 0.346 nan 8.250 nan 0.000 0.477 389 F N 1.923 121.813 119.950 -0.100 0.000 2.377 389 F HA 0.263 4.791 4.527 0.002 0.000 0.328 389 F C 0.765 176.558 175.800 -0.011 0.000 1.094 389 F CA -0.270 57.676 58.000 -0.091 0.000 1.093 389 F CB 1.094 40.009 39.000 -0.141 0.000 1.214 389 F HN 0.153 nan 8.300 nan 0.000 0.518 390 K N 4.438 124.940 120.400 0.169 0.000 2.545 390 K HA 0.570 4.890 4.320 0.000 0.000 0.252 390 K C -1.453 175.233 176.600 0.142 0.000 0.948 390 K CA -0.501 55.873 56.287 0.146 0.000 0.827 390 K CB 2.004 34.546 32.500 0.071 0.000 1.128 390 K HN 0.493 nan 8.250 nan 0.000 0.429 391 L N 3.635 124.960 121.223 0.171 0.000 2.362 391 L HA 0.471 4.811 4.340 0.000 0.000 0.271 391 L C -2.076 174.849 176.870 0.092 0.000 1.002 391 L CA -2.201 52.679 54.840 0.066 0.000 0.818 391 L CB 2.214 44.161 42.059 -0.186 0.000 1.298 391 L HN 0.383 nan 8.230 nan 0.000 0.420 392 P HA 0.218 nan 4.420 nan 0.000 0.226 392 P C -0.572 176.872 177.300 0.239 0.000 1.758 392 P CA 0.346 63.508 63.100 0.103 0.000 0.896 392 P CB 0.197 31.955 31.700 0.097 0.000 1.784 393 I N -0.543 120.233 120.570 0.343 0.000 2.619 393 I HA 0.256 4.426 4.170 0.000 0.000 0.292 393 I C -0.431 176.028 176.117 0.571 0.000 1.100 393 I CA -0.980 60.517 61.300 0.328 0.000 1.043 393 I CB 2.556 40.588 38.000 0.054 0.000 1.239 393 I HN -0.202 nan 8.210 nan 0.000 0.420 394 Q N 4.761 124.729 119.800 0.280 0.000 2.373 394 Q HA 0.101 4.441 4.340 0.000 0.000 0.255 394 Q C 0.474 176.679 176.000 0.342 0.000 0.980 394 Q CA -0.065 55.744 55.803 0.010 0.000 0.882 394 Q CB 1.273 29.897 28.738 -0.190 0.000 1.249 394 Q HN 0.564 nan 8.270 nan 0.000 0.438 395 K N 1.539 122.089 120.400 0.250 0.000 2.103 395 K HA -0.216 4.104 4.320 0.000 0.000 0.207 395 K C 1.751 178.561 176.600 0.349 0.000 1.048 395 K CA 1.574 58.059 56.287 0.331 0.000 0.930 395 K CB 0.075 32.584 32.500 0.015 0.000 0.716 395 K HN 0.621 nan 8.250 nan 0.000 0.444 396 E N -0.081 120.226 120.200 0.178 0.000 2.072 396 E HA -0.158 4.193 4.350 0.000 0.000 0.191 396 E C 1.452 178.160 176.600 0.180 0.000 0.985 396 E CA 1.585 58.073 56.400 0.147 0.000 0.801 396 E CB 0.089 29.820 29.700 0.052 0.000 0.750 396 E HN 0.259 nan 8.360 nan 0.000 0.452 397 T N 0.866 115.525 114.554 0.175 0.000 2.759 397 T HA -0.194 4.156 4.350 0.000 0.000 0.269 397 T C 1.254 176.121 174.700 0.279 0.000 1.042 397 T CA 1.268 63.469 62.100 0.169 0.000 1.140 397 T CB -0.445 68.494 68.868 0.118 0.000 0.864 397 T HN 0.458 nan 8.240 nan 0.000 0.455 398 W N 2.243 123.670 121.300 0.212 0.000 2.379 398 W HA -0.094 4.566 4.660 0.001 0.000 0.307 398 W C 2.165 178.936 176.519 0.420 0.000 1.200 398 W CA 1.344 58.850 57.345 0.268 0.000 1.297 398 W CB -0.307 29.334 29.460 0.301 0.000 1.140 398 W HN 0.356 nan 8.180 nan 0.000 0.507 399 E N -0.024 120.389 120.200 0.355 0.000 2.065 399 E HA -0.272 4.078 4.350 0.000 0.000 0.201 399 E C 1.986 178.672 176.600 0.143 0.000 1.016 399 E CA 2.843 59.478 56.400 0.392 0.000 0.818 399 E CB -0.453 29.466 29.700 0.365 0.000 0.749 399 E HN 0.078 nan 8.360 nan 0.000 0.453 400 T N 0.949 115.554 114.554 0.086 0.000 2.652 400 T HA -0.205 4.145 4.350 0.000 0.000 0.267 400 T C 1.236 175.905 174.700 -0.052 0.000 1.039 400 T CA 1.395 63.492 62.100 -0.004 0.000 1.153 400 T CB -0.608 68.284 68.868 0.040 0.000 0.863 400 T HN 0.462 nan 8.240 nan 0.000 0.428 401 W N 0.694 121.891 121.300 -0.172 0.000 2.335 401 W HA -0.200 4.461 4.660 0.000 0.000 0.311 401 W C 2.230 178.587 176.519 -0.270 0.000 1.213 401 W CA 1.487 58.692 57.345 -0.233 0.000 1.274 401 W CB -0.706 28.606 29.460 -0.247 0.000 1.148 401 W HN 0.467 nan 8.180 nan 0.000 0.498 402 W N 2.462 123.431 121.300 -0.551 0.000 2.338 402 W HA -0.199 4.461 4.660 0.001 0.000 0.304 402 W C 2.264 178.555 176.519 -0.380 0.000 1.212 402 W CA 3.347 60.335 57.345 -0.595 0.000 1.264 402 W CB -0.905 28.100 29.460 -0.757 0.000 1.142 402 W HN -0.291 nan 8.180 nan 0.000 0.512 403 T N 0.912 114.909 114.554 -0.929 0.000 2.684 403 T HA -0.229 4.121 4.350 0.000 0.000 0.267 403 T C 1.170 175.516 174.700 -0.590 0.000 1.036 403 T CA 2.138 63.624 62.100 -1.023 0.000 1.148 403 T CB -0.280 68.131 68.868 -0.762 0.000 0.863 403 T HN 0.304 nan 8.240 nan 0.000 0.436 404 E N -0.810 119.116 120.200 -0.458 0.000 2.476 404 E HA 0.157 4.507 4.350 0.000 0.000 0.196 404 E C -0.512 175.900 176.600 -0.312 0.000 1.029 404 E CA -0.341 55.863 56.400 -0.326 0.000 0.896 404 E CB 0.319 29.876 29.700 -0.238 0.000 1.012 404 E HN 0.379 nan 8.360 nan 0.000 0.475 405 Y N 0.913 120.820 120.300 -0.656 0.000 2.320 405 Y HA 0.008 4.558 4.550 0.000 0.000 0.324 405 Y C 0.854 176.489 175.900 -0.441 0.000 1.190 405 Y CA -1.703 55.952 58.100 -0.741 0.000 1.215 405 Y CB 0.458 38.188 38.460 -1.216 0.000 1.221 405 Y HN 0.118 nan 8.280 nan 0.000 0.486 406 W N 3.156 124.033 121.300 -0.706 0.000 2.465 406 W HA -0.018 4.642 4.660 0.001 0.000 0.268 406 W C -0.233 175.984 176.519 -0.503 0.000 1.242 406 W CA 0.228 57.256 57.345 -0.528 0.000 1.248 406 W CB -0.272 28.918 29.460 -0.450 0.000 1.118 406 W HN 0.526 nan 8.180 nan 0.000 0.587 407 Q N 1.569 120.453 119.800 -1.527 0.000 2.259 407 Q HA 0.478 4.818 4.340 0.000 0.000 0.249 407 Q C -0.197 175.580 176.000 -0.371 0.000 0.914 407 Q CA -0.345 54.795 55.803 -1.105 0.000 0.904 407 Q CB 1.557 29.309 28.738 -1.643 0.000 1.213 407 Q HN 0.065 nan 8.270 nan 0.000 0.428 408 A N 2.840 125.583 122.820 -0.129 0.000 2.409 408 A HA 0.430 4.750 4.320 0.000 0.000 0.262 408 A C -0.183 177.450 177.584 0.082 0.000 1.113 408 A CA 0.126 52.177 52.037 0.023 0.000 0.790 408 A CB 0.934 19.963 19.000 0.048 0.000 1.046 408 A HN 0.671 nan 8.150 nan 0.000 0.496 409 T N 2.436 117.107 114.554 0.195 0.000 2.883 409 T HA 0.618 4.968 4.350 0.000 0.000 0.301 409 T C -1.711 173.239 174.700 0.415 0.000 1.158 409 T CA -0.448 61.817 62.100 0.275 0.000 1.007 409 T CB 1.044 70.105 68.868 0.321 0.000 1.186 409 T HN 0.896 nan 8.240 nan 0.000 0.499 410 W N 5.175 126.546 121.300 0.118 0.000 3.372 410 W HA 0.619 5.279 4.660 0.000 0.000 0.315 410 W C -2.486 174.013 176.519 -0.033 0.000 1.223 410 W CA -1.091 56.291 57.345 0.062 0.000 1.202 410 W CB 1.305 30.769 29.460 0.007 0.000 1.367 410 W HN 0.621 nan 8.180 nan 0.000 0.531 411 I N 6.976 127.019 120.570 -0.879 0.000 2.466 411 I HA 0.282 4.452 4.170 0.000 0.000 0.289 411 I C -1.726 173.535 176.117 -1.427 0.000 1.026 411 I CA -2.151 58.506 61.300 -1.070 0.000 1.078 411 I CB 2.286 39.585 38.000 -1.168 0.000 1.249 411 I HN 0.082 nan 8.210 nan 0.000 0.429 412 P HA -0.030 nan 4.420 nan 0.000 0.274 412 P C -0.291 176.871 177.300 -0.230 0.000 1.264 412 P CA -0.327 62.487 63.100 -0.476 0.000 0.795 412 P CB 0.419 32.061 31.700 -0.097 0.000 1.064 413 E N 0.659 120.816 120.200 -0.072 0.000 3.025 413 E HA -0.086 4.264 4.350 0.000 0.000 0.248 413 E C -0.583 176.053 176.600 0.059 0.000 0.938 413 E CA 0.229 56.604 56.400 -0.042 0.000 0.958 413 E CB -0.128 29.559 29.700 -0.022 0.000 0.898 413 E HN 0.332 nan 8.360 nan 0.000 0.537 414 W N 3.386 124.577 121.300 -0.182 0.000 3.031 414 W HA 0.646 5.306 4.660 -0.000 0.000 0.337 414 W C -1.246 175.213 176.519 -0.100 0.000 1.187 414 W CA -1.054 56.205 57.345 -0.143 0.000 1.166 414 W CB 0.765 30.066 29.460 -0.265 0.000 1.437 414 W HN 0.374 nan 8.180 nan 0.000 0.551 415 E N 1.326 121.580 120.200 0.090 0.000 2.340 415 E HA 0.345 4.695 4.350 0.000 0.000 0.273 415 E C -1.506 175.234 176.600 0.233 0.000 0.891 415 E CA -1.054 55.303 56.400 -0.072 0.000 0.757 415 E CB 3.124 32.796 29.700 -0.046 0.000 1.231 415 E HN 0.284 nan 8.360 nan 0.000 0.439 416 F N 2.774 122.743 119.950 0.031 0.000 2.518 416 F HA 0.355 4.883 4.527 0.001 0.000 0.359 416 F C -0.745 175.130 175.800 0.124 0.000 1.118 416 F CA -0.057 58.055 58.000 0.186 0.000 1.287 416 F CB 0.716 39.788 39.000 0.120 0.000 1.132 416 F HN 0.154 nan 8.300 nan 0.000 0.587 417 V N 6.982 126.422 119.914 -0.790 0.000 2.668 417 V HA 0.287 4.407 4.120 0.000 0.000 0.304 417 V C -0.888 174.646 176.094 -0.933 0.000 1.071 417 V CA -0.885 60.994 62.300 -0.703 0.000 0.894 417 V CB 1.560 33.256 31.823 -0.212 0.000 1.008 417 V HN 0.831 nan 8.190 nan 0.000 0.425 418 N N 4.374 122.628 118.700 -0.744 0.000 3.050 418 N HA 0.157 4.897 4.740 0.000 0.000 0.289 418 N C -0.056 175.368 175.510 -0.144 0.000 1.209 418 N CA 0.216 53.041 53.050 -0.374 0.000 1.154 418 N CB 0.200 38.654 38.487 -0.056 0.000 1.444 418 N HN 0.854 nan 8.380 nan 0.000 0.529 419 T N 0.177 114.657 114.554 -0.123 0.000 3.154 419 T HA 0.415 4.765 4.350 0.000 0.000 0.381 419 T C -2.633 172.059 174.700 -0.014 0.000 1.368 419 T CA -2.033 60.035 62.100 -0.053 0.000 1.155 419 T CB 1.205 70.045 68.868 -0.047 0.000 1.120 419 T HN 0.075 nan 8.240 nan 0.000 0.570 420 P HA 0.173 nan 4.420 nan 0.000 0.264 420 P C -2.316 174.979 177.300 -0.008 0.000 1.179 420 P CA -0.660 62.447 63.100 0.013 0.000 0.763 420 P CB -0.352 31.356 31.700 0.013 0.000 0.806 421 P HA 0.221 nan 4.420 nan 0.000 0.280 421 P C -0.812 176.508 177.300 0.034 0.000 1.244 421 P CA -0.282 62.824 63.100 0.011 0.000 0.784 421 P CB 0.373 32.070 31.700 -0.005 0.000 0.913 422 L N 2.986 124.247 121.223 0.064 0.000 2.375 422 L HA 0.214 4.554 4.340 0.000 0.000 0.271 422 L C 0.067 176.992 176.870 0.091 0.000 1.107 422 L CA -0.442 54.462 54.840 0.106 0.000 0.806 422 L CB 1.000 43.145 42.059 0.144 0.000 1.146 422 L HN 0.144 nan 8.230 nan 0.000 0.447 423 V N 3.692 123.683 119.914 0.127 0.000 2.432 423 V HA 0.419 4.539 4.120 0.000 0.000 0.271 423 V C 0.121 176.237 176.094 0.037 0.000 1.046 423 V CA -0.497 61.876 62.300 0.122 0.000 0.945 423 V CB 0.612 32.535 31.823 0.166 0.000 0.992 423 V HN 0.875 nan 8.190 nan 0.000 0.471 424 K N 4.684 125.063 120.400 -0.035 0.000 2.509 424 K HA 0.682 5.002 4.320 0.000 0.000 0.266 424 K C -1.696 174.798 176.600 -0.178 0.000 0.987 424 K CA -1.091 55.101 56.287 -0.158 0.000 0.868 424 K CB 1.647 33.953 32.500 -0.322 0.000 1.421 424 K HN 0.206 nan 8.250 nan 0.000 0.444 425 L N 1.610 122.737 121.223 -0.161 0.000 2.350 425 L HA 0.231 4.571 4.340 0.000 0.000 0.275 425 L C 0.164 176.937 176.870 -0.162 0.000 1.099 425 L CA 0.036 54.816 54.840 -0.100 0.000 0.808 425 L CB 0.411 42.434 42.059 -0.060 0.000 1.149 425 L HN 0.857 nan 8.230 nan 0.000 0.442 426 W N 2.610 123.864 121.300 -0.077 0.000 3.114 426 W HA 0.118 4.778 4.660 0.000 0.000 0.279 426 W C -0.159 176.460 176.519 0.166 0.000 1.277 426 W CA -0.081 57.296 57.345 0.053 0.000 1.630 426 W CB 0.194 29.726 29.460 0.120 0.000 1.087 426 W HN 0.521 nan 8.180 nan 0.000 0.637 427 Y N -0.457 119.973 120.300 0.217 0.000 2.604 427 Y HA 0.566 5.116 4.550 0.000 0.000 0.331 427 Y C -1.228 174.741 175.900 0.114 0.000 1.158 427 Y CA -2.276 55.908 58.100 0.141 0.000 1.056 427 Y CB 0.415 38.956 38.460 0.134 0.000 1.330 427 Y HN -0.051 nan 8.280 nan 0.000 0.457 428 Q N 2.179 122.109 119.800 0.217 0.000 2.304 428 Q HA 0.625 4.965 4.340 0.000 0.000 0.270 428 Q C -1.904 174.213 176.000 0.196 0.000 1.035 428 Q CA -0.824 55.062 55.803 0.139 0.000 0.781 428 Q CB 2.423 31.203 28.738 0.071 0.000 1.261 428 Q HN 0.728 nan 8.270 nan 0.000 0.444 429 L N 1.868 123.206 121.223 0.192 0.000 2.476 429 L HA 0.219 4.559 4.340 0.000 0.000 0.264 429 L C 0.586 177.538 176.870 0.136 0.000 1.224 429 L CA 0.436 55.370 54.840 0.156 0.000 0.821 429 L CB 0.385 42.513 42.059 0.115 0.000 1.101 429 L HN 0.662 nan 8.230 nan 0.000 0.488 430 E N 1.507 121.814 120.200 0.178 0.000 2.343 430 E HA 0.109 4.459 4.350 0.000 0.000 0.269 430 E C 0.507 177.279 176.600 0.287 0.000 1.047 430 E CA -0.321 56.212 56.400 0.221 0.000 0.874 430 E CB 0.926 30.779 29.700 0.256 0.000 1.033 430 E HN 0.331 nan 8.360 nan 0.000 0.409 431 K N 0.948 121.457 120.400 0.182 0.000 2.137 431 K HA 0.023 4.343 4.320 0.000 0.000 0.202 431 K C 0.140 176.844 176.600 0.174 0.000 1.052 431 K CA 0.846 57.233 56.287 0.166 0.000 0.961 431 K CB 0.414 32.956 32.500 0.070 0.000 0.741 431 K HN 0.398 nan 8.250 nan 0.000 0.452 432 E N 0.538 120.739 120.200 0.001 0.000 2.256 432 E HA 0.339 4.689 4.350 0.000 0.000 0.267 432 E C -2.617 173.583 176.600 -0.666 0.000 0.892 432 E CA -2.871 53.368 56.400 -0.267 0.000 0.775 432 E CB 1.329 30.941 29.700 -0.146 0.000 1.207 432 E HN -0.147 nan 8.360 nan 0.000 0.420 433 P HA 0.075 nan 4.420 nan 0.000 0.266 433 P C -0.194 176.897 177.300 -0.348 0.000 1.195 433 P CA 0.263 62.816 63.100 -0.913 0.000 0.768 433 P CB 0.332 31.688 31.700 -0.574 0.000 0.838 434 I N 2.347 122.810 120.570 -0.180 0.000 2.416 434 I HA 0.086 4.257 4.170 0.000 0.000 0.288 434 I C 0.366 176.453 176.117 -0.051 0.000 1.051 434 I CA -0.682 60.575 61.300 -0.072 0.000 1.375 434 I CB 0.717 38.714 38.000 -0.005 0.000 1.407 434 I HN 0.022 nan 8.210 nan 0.000 0.516 435 V N 6.143 126.031 119.914 -0.043 0.000 2.572 435 V HA 0.249 4.369 4.120 0.000 0.000 0.291 435 V C 1.157 177.245 176.094 -0.010 0.000 1.039 435 V CA 0.705 62.989 62.300 -0.027 0.000 1.055 435 V CB 0.621 32.428 31.823 -0.026 0.000 0.969 435 V HN 1.143 nan 8.190 nan 0.000 0.482 436 G N 3.836 112.634 108.800 -0.003 0.000 2.176 436 G HA2 -0.008 3.953 3.960 0.000 0.000 0.252 436 G HA3 -0.008 3.953 3.960 0.000 0.000 0.252 436 G C 0.121 175.030 174.900 0.014 0.000 1.024 436 G CA 0.206 45.309 45.100 0.005 0.000 0.755 436 G HN 1.541 nan 8.290 nan 0.000 0.507 437 A N -0.641 122.192 122.820 0.020 0.000 2.365 437 A HA 0.800 5.120 4.320 0.000 0.000 0.318 437 A C 0.077 177.695 177.584 0.057 0.000 1.091 437 A CA -0.118 51.943 52.037 0.040 0.000 0.763 437 A CB 1.145 20.170 19.000 0.042 0.000 1.248 437 A HN 0.534 nan 8.150 nan 0.000 0.442 438 E N 0.848 121.101 120.200 0.088 0.000 2.415 438 E HA 0.206 4.556 4.350 0.000 0.000 0.263 438 E C -0.585 176.099 176.600 0.140 0.000 0.995 438 E CA 0.271 56.722 56.400 0.084 0.000 0.915 438 E CB 0.416 30.182 29.700 0.109 0.000 0.951 438 E HN 0.524 nan 8.360 nan 0.000 0.449 439 T N 5.670 120.255 114.554 0.052 0.000 2.811 439 T HA 0.217 4.567 4.350 0.000 0.000 0.309 439 T C -0.642 174.071 174.700 0.022 0.000 1.005 439 T CA -0.326 61.806 62.100 0.053 0.000 0.955 439 T CB -0.245 68.640 68.868 0.027 0.000 0.970 439 T HN 0.227 nan 8.240 nan 0.000 0.496 440 F N 3.014 122.911 119.950 -0.088 0.000 2.421 440 F HA 0.320 4.847 4.527 0.000 0.000 0.358 440 F C 0.195 175.960 175.800 -0.059 0.000 1.115 440 F CA -1.110 56.854 58.000 -0.060 0.000 1.160 440 F CB 0.288 39.181 39.000 -0.178 0.000 1.123 440 F HN 0.503 nan 8.300 nan 0.000 0.508 441 Y N 3.504 123.879 120.300 0.126 0.000 2.477 441 Y HA 0.428 4.978 4.550 0.000 0.000 0.349 441 Y C 0.255 176.247 175.900 0.152 0.000 0.977 441 Y CA -0.921 57.239 58.100 0.100 0.000 1.214 441 Y CB 0.611 39.094 38.460 0.038 0.000 1.124 441 Y HN 0.374 nan 8.280 nan 0.000 0.521 442 V N 0.048 120.103 119.914 0.234 0.000 2.834 442 V HA 0.820 4.941 4.120 0.000 0.000 0.313 442 V C -0.713 175.467 176.094 0.143 0.000 1.060 442 V CA -0.536 61.895 62.300 0.220 0.000 0.989 442 V CB 2.092 34.028 31.823 0.188 0.000 1.041 442 V HN 0.617 nan 8.190 nan 0.000 0.459 443 D N 0.440 120.915 120.400 0.124 0.000 2.648 443 D HA 0.723 5.363 4.640 0.000 0.000 0.244 443 D C -0.485 175.858 176.300 0.072 0.000 1.244 443 D CA 0.459 54.504 54.000 0.075 0.000 0.772 443 D CB 2.144 42.969 40.800 0.041 0.000 1.379 443 D HN 1.153 nan 8.370 nan 0.000 0.428 444 G N -0.370 108.465 108.800 0.058 0.000 2.619 444 G HA2 0.846 4.806 3.960 0.000 0.000 0.296 444 G HA3 0.846 4.806 3.960 0.000 0.000 0.296 444 G C -1.581 173.347 174.900 0.047 0.000 1.334 444 G CA -0.359 44.775 45.100 0.057 0.000 0.934 444 G HN 0.627 nan 8.290 nan 0.000 0.476 445 A N -0.585 122.261 122.820 0.043 0.000 2.520 445 A HA 0.974 5.294 4.320 0.000 0.000 0.298 445 A C -0.551 177.055 177.584 0.036 0.000 1.051 445 A CA -0.016 52.047 52.037 0.044 0.000 0.690 445 A CB 1.656 20.684 19.000 0.046 0.000 1.281 445 A HN 2.287 nan 8.150 nan 0.000 0.402 446 A N 1.863 124.703 122.820 0.034 0.000 2.422 446 A HA 0.723 5.044 4.320 0.000 0.000 0.302 446 A C -0.729 176.868 177.584 0.021 0.000 1.041 446 A CA -0.680 51.371 52.037 0.024 0.000 0.708 446 A CB 1.164 20.175 19.000 0.019 0.000 1.257 446 A HN 0.824 nan 8.150 nan 0.000 0.414 447 N N 1.130 119.840 118.700 0.016 0.000 2.514 447 N HA 0.161 4.901 4.740 0.000 0.000 0.277 447 N C 0.734 176.249 175.510 0.009 0.000 1.126 447 N CA -0.143 52.914 53.050 0.012 0.000 0.978 447 N CB 1.054 39.547 38.487 0.010 0.000 1.106 447 N HN 0.709 nan 8.380 nan 0.000 0.461 448 R N 1.283 121.787 120.500 0.007 0.000 2.193 448 R HA -0.026 4.314 4.340 0.000 0.000 0.213 448 R C 1.198 177.499 176.300 0.003 0.000 1.055 448 R CA 0.914 57.016 56.100 0.004 0.000 0.995 448 R CB 0.347 30.649 30.300 0.002 0.000 0.893 448 R HN 0.677 nan 8.270 nan 0.000 0.459 449 E N -0.185 120.017 120.200 0.003 0.000 2.057 449 E HA -0.085 4.265 4.350 0.000 0.000 0.191 449 E C 1.885 178.487 176.600 0.003 0.000 0.959 449 E CA 1.596 57.998 56.400 0.002 0.000 0.828 449 E CB -0.928 28.773 29.700 0.002 0.000 0.800 449 E HN 0.195 nan 8.360 nan 0.000 0.460 450 T N -0.718 113.838 114.554 0.004 0.000 2.929 450 T HA -0.086 4.264 4.350 0.000 0.000 0.271 450 T C 1.279 175.982 174.700 0.006 0.000 1.085 450 T CA 1.675 63.778 62.100 0.005 0.000 1.125 450 T CB -0.197 68.674 68.868 0.005 0.000 0.874 450 T HN 0.227 nan 8.240 nan 0.000 0.494 451 K N -0.951 119.452 120.400 0.006 0.000 3.584 451 K HA -0.120 4.201 4.320 0.000 0.000 0.300 451 K C -0.019 176.587 176.600 0.009 0.000 1.285 451 K CA 0.753 57.044 56.287 0.007 0.000 1.008 451 K CB -2.251 30.253 32.500 0.006 0.000 1.271 451 K HN 0.592 nan 8.250 nan 0.000 0.447 452 L N 0.098 121.326 121.223 0.009 0.000 2.467 452 L HA 0.353 4.693 4.340 0.000 0.000 0.270 452 L C 1.045 177.924 176.870 0.014 0.000 1.205 452 L CA 0.784 55.631 54.840 0.011 0.000 0.828 452 L CB 0.635 42.700 42.059 0.010 0.000 1.101 452 L HN 0.372 nan 8.230 nan 0.000 0.479 453 G N 1.652 110.462 108.800 0.016 0.000 2.690 453 G HA2 0.568 4.528 3.960 0.000 0.000 0.293 453 G HA3 0.568 4.528 3.960 0.000 0.000 0.293 453 G C -1.662 173.251 174.900 0.021 0.000 1.399 453 G CA -0.572 44.541 45.100 0.021 0.000 0.890 453 G HN 0.462 nan 8.290 nan 0.000 0.485 454 K N -0.396 120.018 120.400 0.023 0.000 2.427 454 K HA 0.733 5.053 4.320 0.000 0.000 0.252 454 K C -0.914 175.704 176.600 0.029 0.000 0.931 454 K CA -0.708 55.592 56.287 0.020 0.000 0.793 454 K CB 2.695 35.202 32.500 0.011 0.000 1.211 454 K HN 0.750 nan 8.250 nan 0.000 0.426 455 A N 1.369 124.207 122.820 0.031 0.000 2.393 455 A HA 0.922 5.242 4.320 0.000 0.000 0.306 455 A C -0.650 176.951 177.584 0.028 0.000 1.050 455 A CA -0.484 51.582 52.037 0.048 0.000 0.724 455 A CB 1.858 20.903 19.000 0.074 0.000 1.248 455 A HN 0.790 nan 8.150 nan 0.000 0.424 456 G N -0.207 108.617 108.800 0.041 0.000 2.488 456 G HA2 0.655 4.616 3.960 0.000 0.000 0.301 456 G HA3 0.655 4.616 3.960 0.000 0.000 0.301 456 G C -1.599 173.355 174.900 0.090 0.000 1.339 456 G CA -0.006 45.081 45.100 -0.022 0.000 0.803 456 G HN 1.850 nan 8.290 nan 0.000 0.482 457 Y N -1.363 119.001 120.300 0.107 0.000 2.553 457 Y HA 0.814 5.364 4.550 0.000 0.000 0.347 457 Y C -0.442 175.501 175.900 0.072 0.000 1.019 457 Y CA -1.747 56.438 58.100 0.141 0.000 1.032 457 Y CB 1.638 40.274 38.460 0.293 0.000 1.284 457 Y HN 1.089 nan 8.280 nan 0.000 0.466 458 V N -0.041 120.057 119.914 0.308 0.000 2.680 458 V HA 0.955 5.075 4.120 0.000 0.000 0.309 458 V C -0.369 175.807 176.094 0.136 0.000 1.052 458 V CA -0.088 62.315 62.300 0.171 0.000 0.908 458 V CB 1.211 33.056 31.823 0.035 0.000 1.001 458 V HN 1.307 nan 8.190 nan 0.000 0.431 459 T N 0.455 114.999 114.554 -0.017 0.000 2.930 459 T HA 0.404 4.754 4.350 0.000 0.000 0.290 459 T C 0.874 175.533 174.700 -0.068 0.000 1.052 459 T CA -0.127 61.874 62.100 -0.165 0.000 1.017 459 T CB 1.689 70.219 68.868 -0.564 0.000 1.137 459 T HN 0.960 nan 8.240 nan 0.000 0.511 460 N N 1.300 119.986 118.700 -0.023 0.000 2.453 460 N HA -0.117 4.623 4.740 0.000 0.000 0.183 460 N C 0.955 176.443 175.510 -0.036 0.000 1.041 460 N CA 0.518 53.567 53.050 -0.002 0.000 0.900 460 N CB -0.339 38.181 38.487 0.055 0.000 0.961 460 N HN 0.668 nan 8.380 nan 0.000 0.443 461 R N -0.051 120.406 120.500 -0.071 0.000 2.555 461 R HA 0.214 4.554 4.340 0.000 0.000 0.272 461 R C 0.790 177.058 176.300 -0.054 0.000 1.089 461 R CA 0.353 56.418 56.100 -0.058 0.000 1.126 461 R CB -0.187 30.075 30.300 -0.063 0.000 1.250 461 R HN 0.379 nan 8.270 nan 0.000 0.551 462 G N 1.408 110.177 108.800 -0.052 0.000 2.257 462 G HA2 -0.403 3.558 3.960 0.000 0.000 0.267 462 G HA3 -0.403 3.558 3.960 0.000 0.000 0.267 462 G C 0.493 175.378 174.900 -0.026 0.000 0.984 462 G CA 0.484 45.562 45.100 -0.037 0.000 0.626 462 G HN 0.400 nan 8.290 nan 0.000 0.540 463 R N 0.521 121.002 120.500 -0.031 0.000 2.774 463 R HA 0.594 4.934 4.340 0.000 0.000 0.269 463 R C 0.392 176.742 176.300 0.083 0.000 1.068 463 R CA 0.629 56.745 56.100 0.026 0.000 1.180 463 R CB 0.279 30.595 30.300 0.027 0.000 1.077 463 R HN 0.443 nan 8.270 nan 0.000 0.513 464 Q N 1.017 120.881 119.800 0.107 0.000 2.527 464 Q HA 0.314 4.655 4.340 0.000 0.000 0.280 464 Q C -1.911 173.917 176.000 -0.286 0.000 0.977 464 Q CA -0.764 55.000 55.803 -0.065 0.000 0.837 464 Q CB 1.935 30.636 28.738 -0.061 0.000 1.454 464 Q HN 0.542 nan 8.270 nan 0.000 0.387 465 K N 1.184 121.238 120.400 -0.576 0.000 2.589 465 K HA 0.551 4.871 4.320 0.000 0.000 0.265 465 K C -2.129 174.248 176.600 -0.372 0.000 0.935 465 K CA -0.487 55.502 56.287 -0.496 0.000 0.850 465 K CB 2.175 34.289 32.500 -0.642 0.000 1.372 465 K HN 0.333 nan 8.250 nan 0.000 0.420 466 V N 3.206 123.005 119.914 -0.192 0.000 2.686 466 V HA 0.534 4.654 4.120 0.000 0.000 0.306 466 V C -0.872 175.185 176.094 -0.062 0.000 1.065 466 V CA -0.821 61.413 62.300 -0.111 0.000 0.894 466 V CB 1.926 33.705 31.823 -0.074 0.000 1.004 466 V HN 0.529 nan 8.190 nan 0.000 0.424 467 V N 2.629 122.524 119.914 -0.031 0.000 2.864 467 V HA 0.629 4.749 4.120 0.000 0.000 0.314 467 V C 0.083 176.182 176.094 0.009 0.000 1.073 467 V CA -0.514 61.784 62.300 -0.003 0.000 0.956 467 V CB 2.539 34.374 31.823 0.020 0.000 1.023 467 V HN 0.897 nan 8.190 nan 0.000 0.435 468 T N 4.460 119.021 114.554 0.012 0.000 2.867 468 T HA 0.783 5.133 4.350 0.000 0.000 0.282 468 T C -0.733 173.980 174.700 0.021 0.000 1.000 468 T CA -0.250 61.858 62.100 0.014 0.000 1.042 468 T CB 1.162 70.036 68.868 0.009 0.000 0.973 468 T HN 0.288 nan 8.240 nan 0.000 0.465 469 L N 1.837 123.074 121.223 0.022 0.000 2.354 469 L HA 0.580 4.920 4.340 0.000 0.000 0.264 469 L C 1.408 178.289 176.870 0.018 0.000 1.008 469 L CA -0.601 54.253 54.840 0.024 0.000 0.819 469 L CB 2.115 44.192 42.059 0.030 0.000 1.339 469 L HN 0.867 nan 8.230 nan 0.000 0.420 470 T N -4.034 110.529 114.554 0.016 0.000 3.114 470 T HA 0.155 4.505 4.350 0.000 0.000 0.240 470 T C 0.397 175.104 174.700 0.012 0.000 0.983 470 T CA 0.201 62.308 62.100 0.013 0.000 1.151 470 T CB -0.008 68.867 68.868 0.011 0.000 0.974 470 T HN 0.344 nan 8.240 nan 0.000 0.442 471 D N 1.776 122.183 120.400 0.012 0.000 2.557 471 D HA 0.525 5.165 4.640 0.000 0.000 0.236 471 D C -0.875 175.432 176.300 0.012 0.000 1.154 471 D CA 0.133 54.139 54.000 0.010 0.000 0.985 471 D CB 0.558 41.363 40.800 0.009 0.000 1.010 471 D HN 0.365 nan 8.370 nan 0.000 0.516 472 T N -0.055 114.506 114.554 0.012 0.000 2.864 472 T HA 0.685 5.035 4.350 0.000 0.000 0.299 472 T C -0.647 174.058 174.700 0.008 0.000 1.166 472 T CA -0.506 61.602 62.100 0.013 0.000 1.007 472 T CB 1.342 70.222 68.868 0.020 0.000 1.219 472 T HN 0.222 nan 8.240 nan 0.000 0.506 473 T N 0.056 114.612 114.554 0.005 0.000 2.907 473 T HA 0.447 4.798 4.350 0.000 0.000 0.290 473 T C 1.043 175.739 174.700 -0.005 0.000 1.066 473 T CA -0.743 61.352 62.100 -0.007 0.000 1.012 473 T CB 1.199 70.051 68.868 -0.025 0.000 1.184 473 T HN 0.534 nan 8.240 nan 0.000 0.522 474 N N 0.109 118.802 118.700 -0.013 0.000 2.061 474 N HA -0.167 4.573 4.740 0.000 0.000 0.193 474 N C 2.087 177.590 175.510 -0.011 0.000 1.030 474 N CA 1.735 54.783 53.050 -0.002 0.000 0.856 474 N CB -0.208 38.279 38.487 0.000 0.000 1.023 474 N HN 0.609 nan 8.380 nan 0.000 0.424 475 Q N 0.468 120.219 119.800 -0.081 0.000 2.084 475 Q HA -0.123 4.217 4.340 0.000 0.000 0.202 475 Q C 1.693 177.711 176.000 0.029 0.000 0.978 475 Q CA 1.170 56.893 55.803 -0.134 0.000 0.844 475 Q CB -0.052 28.387 28.738 -0.498 0.000 0.898 475 Q HN 0.365 nan 8.270 nan 0.000 0.426 476 K N 0.072 120.486 120.400 0.023 0.000 2.211 476 K HA -0.103 4.218 4.320 0.000 0.000 0.203 476 K C 2.267 178.909 176.600 0.070 0.000 1.050 476 K CA 1.604 57.928 56.287 0.062 0.000 0.945 476 K CB -0.076 32.448 32.500 0.039 0.000 0.732 476 K HN 0.353 nan 8.250 nan 0.000 0.451 477 T N -0.741 113.848 114.554 0.060 0.000 2.904 477 T HA -0.038 4.312 4.350 0.000 0.000 0.267 477 T C 1.586 176.340 174.700 0.089 0.000 1.059 477 T CA 0.613 62.754 62.100 0.068 0.000 1.137 477 T CB 0.035 68.934 68.868 0.053 0.000 0.879 477 T HN 0.053 nan 8.240 nan 0.000 0.467 478 E N 1.194 121.456 120.200 0.103 0.000 2.072 478 E HA 0.017 4.367 4.350 0.000 0.000 0.191 478 E C 2.126 178.808 176.600 0.137 0.000 0.985 478 E CA 0.615 57.092 56.400 0.127 0.000 0.801 478 E CB -0.391 29.407 29.700 0.164 0.000 0.750 478 E HN 0.357 nan 8.360 nan 0.000 0.452 479 L N 1.046 122.356 121.223 0.146 0.000 2.156 479 L HA -0.125 4.216 4.340 0.000 0.000 0.208 479 L C 2.406 179.355 176.870 0.130 0.000 1.095 479 L CA 1.391 56.304 54.840 0.122 0.000 0.770 479 L CB -0.839 41.288 42.059 0.115 0.000 0.914 479 L HN 0.070 nan 8.230 nan 0.000 0.439 480 Q N -0.728 119.151 119.800 0.132 0.000 2.079 480 Q HA -0.067 4.273 4.340 0.000 0.000 0.200 480 Q C 2.297 178.411 176.000 0.190 0.000 0.974 480 Q CA 1.706 57.613 55.803 0.172 0.000 0.840 480 Q CB -0.231 28.584 28.738 0.129 0.000 0.898 480 Q HN 0.446 nan 8.270 nan 0.000 0.430 481 A N 0.293 123.203 122.820 0.150 0.000 1.892 481 A HA -0.215 4.105 4.320 0.000 0.000 0.218 481 A C 2.103 179.782 177.584 0.158 0.000 1.188 481 A CA 1.731 53.863 52.037 0.159 0.000 0.631 481 A CB -0.891 18.192 19.000 0.139 0.000 0.822 481 A HN 0.470 nan 8.150 nan 0.000 0.447 482 I N -2.172 118.473 120.570 0.125 0.000 2.286 482 I HA -0.243 3.927 4.170 0.000 0.000 0.248 482 I C 2.463 178.618 176.117 0.064 0.000 1.115 482 I CA 1.581 62.924 61.300 0.072 0.000 1.392 482 I CB -0.347 37.687 38.000 0.055 0.000 1.065 482 I HN 0.541 nan 8.210 nan 0.000 0.418 483 Y N 1.513 121.809 120.300 -0.007 0.000 2.145 483 Y HA -0.232 4.318 4.550 0.000 0.000 0.286 483 Y C 2.291 178.183 175.900 -0.013 0.000 1.145 483 Y CA 1.452 59.538 58.100 -0.023 0.000 1.148 483 Y CB -0.424 38.033 38.460 -0.005 0.000 0.981 483 Y HN 0.008 nan 8.280 nan 0.000 0.507 484 L N -0.362 120.830 121.223 -0.051 0.000 1.971 484 L HA -0.318 4.022 4.340 0.000 0.000 0.215 484 L C 2.753 179.564 176.870 -0.100 0.000 1.072 484 L CA 1.591 56.407 54.840 -0.039 0.000 0.758 484 L CB -1.044 41.142 42.059 0.211 0.000 0.889 484 L HN 0.354 nan 8.230 nan 0.000 0.433 485 A N -0.297 122.451 122.820 -0.120 0.000 1.948 485 A HA -0.225 4.095 4.320 0.000 0.000 0.220 485 A C 2.188 179.310 177.584 -0.770 0.000 1.177 485 A CA 1.719 53.381 52.037 -0.625 0.000 0.636 485 A CB -0.758 17.968 19.000 -0.456 0.000 0.815 485 A HN 0.425 nan 8.150 nan 0.000 0.449 486 L N -1.338 119.613 121.223 -0.453 0.000 2.093 486 L HA -0.212 4.128 4.340 0.000 0.000 0.208 486 L C 2.851 179.502 176.870 -0.365 0.000 1.085 486 L CA 1.505 56.116 54.840 -0.381 0.000 0.755 486 L CB -0.438 41.479 42.059 -0.237 0.000 0.904 486 L HN 0.463 nan 8.230 nan 0.000 0.435 487 Q N -0.457 119.102 119.800 -0.402 0.000 2.172 487 Q HA -0.159 4.181 4.340 0.000 0.000 0.200 487 Q C 0.653 176.536 176.000 -0.196 0.000 0.964 487 Q CA 1.094 56.712 55.803 -0.307 0.000 0.855 487 Q CB 0.223 28.742 28.738 -0.365 0.000 0.918 487 Q HN 0.443 nan 8.270 nan 0.000 0.444 488 D N -1.403 118.869 120.400 -0.213 0.000 2.368 488 D HA 0.028 4.668 4.640 0.000 0.000 0.218 488 D C 1.048 177.299 176.300 -0.080 0.000 1.112 488 D CA 0.245 54.203 54.000 -0.070 0.000 0.834 488 D CB 0.649 41.527 40.800 0.130 0.000 0.953 488 D HN 0.144 nan 8.370 nan 0.000 0.505 489 S N -1.024 114.511 115.700 -0.274 0.000 2.566 489 S HA 0.446 4.916 4.470 0.000 0.000 0.234 489 S C 1.341 175.901 174.600 -0.066 0.000 1.075 489 S CA 0.345 58.402 58.200 -0.239 0.000 0.926 489 S CB 0.780 63.580 63.200 -0.667 0.000 0.811 489 S HN 0.324 nan 8.310 nan 0.000 0.518 490 G N 1.271 110.014 108.800 -0.094 0.000 2.660 490 G HA2 -0.105 3.855 3.960 0.000 0.000 0.247 490 G HA3 -0.105 3.855 3.960 0.000 0.000 0.247 490 G C -0.114 174.757 174.900 -0.049 0.000 1.328 490 G CA -0.287 44.785 45.100 -0.047 0.000 0.884 490 G HN 0.413 nan 8.290 nan 0.000 0.531 491 L N 1.040 122.250 121.223 -0.022 0.000 2.465 491 L HA 0.274 4.614 4.340 0.000 0.000 0.224 491 L C 1.398 178.263 176.870 -0.008 0.000 1.145 491 L CA 1.574 56.405 54.840 -0.016 0.000 0.834 491 L CB -0.386 41.672 42.059 -0.002 0.000 0.944 491 L HN 0.568 nan 8.230 nan 0.000 0.451 492 E N -1.003 119.195 120.200 -0.003 0.000 2.241 492 E HA 0.590 4.940 4.350 0.000 0.000 0.263 492 E C -1.445 175.165 176.600 0.016 0.000 0.882 492 E CA -0.331 56.075 56.400 0.010 0.000 0.769 492 E CB 2.518 32.230 29.700 0.020 0.000 1.185 492 E HN -0.227 nan 8.360 nan 0.000 0.415 493 V N 2.254 122.177 119.914 0.014 0.000 2.888 493 V HA 0.402 4.522 4.120 0.000 0.000 0.309 493 V C -0.582 175.552 176.094 0.065 0.000 1.114 493 V CA -1.212 61.101 62.300 0.021 0.000 0.940 493 V CB 2.198 33.960 31.823 -0.102 0.000 1.021 493 V HN 0.588 nan 8.190 nan 0.000 0.426 494 N N 3.530 122.293 118.700 0.105 0.000 2.400 494 N HA 0.695 5.435 4.740 0.000 0.000 0.288 494 N C -1.146 174.411 175.510 0.077 0.000 1.024 494 N CA -0.276 52.855 53.050 0.134 0.000 0.894 494 N CB 2.658 41.225 38.487 0.133 0.000 1.173 494 N HN 0.610 nan 8.380 nan 0.000 0.487 495 I N 1.313 121.894 120.570 0.018 0.000 2.436 495 I HA 0.272 4.442 4.170 0.000 0.000 0.289 495 I C -0.260 175.804 176.117 -0.089 0.000 1.010 495 I CA -1.118 60.164 61.300 -0.030 0.000 1.098 495 I CB 2.324 40.292 38.000 -0.052 0.000 1.266 495 I HN 0.089 nan 8.210 nan 0.000 0.434 496 V N 5.588 125.405 119.914 -0.162 0.000 2.409 496 V HA 0.628 4.748 4.120 0.000 0.000 0.291 496 V C -0.458 175.584 176.094 -0.086 0.000 1.020 496 V CA 0.242 62.430 62.300 -0.187 0.000 0.848 496 V CB 1.746 33.333 31.823 -0.394 0.000 0.990 496 V HN 0.855 nan 8.190 nan 0.000 0.430 497 T N 3.346 117.877 114.554 -0.039 0.000 2.940 497 T HA 0.508 4.858 4.350 0.000 0.000 0.288 497 T C 0.018 174.655 174.700 -0.105 0.000 1.045 497 T CA 0.095 62.197 62.100 0.004 0.000 1.018 497 T CB 1.755 70.672 68.868 0.082 0.000 1.151 497 T HN 0.919 nan 8.240 nan 0.000 0.529 498 D N 0.506 120.850 120.400 -0.094 0.000 2.479 498 D HA 0.154 4.794 4.640 0.000 0.000 0.218 498 D C 0.139 176.550 176.300 0.186 0.000 1.177 498 D CA -0.242 53.595 54.000 -0.272 0.000 0.830 498 D CB 0.114 40.749 40.800 -0.276 0.000 1.014 498 D HN 0.247 nan 8.370 nan 0.000 0.503 499 S N 0.753 116.643 115.700 0.316 0.000 2.420 499 S HA 0.114 4.584 4.470 0.000 0.000 0.313 499 S C 0.966 175.814 174.600 0.413 0.000 1.079 499 S CA -0.487 57.931 58.200 0.363 0.000 1.104 499 S CB 1.629 64.982 63.200 0.255 0.000 0.969 499 S HN 0.177 nan 8.310 nan 0.000 0.471 500 Q N 4.291 124.280 119.800 0.314 0.000 2.119 500 Q HA -0.153 4.187 4.340 0.000 0.000 0.201 500 Q C 1.343 177.366 176.000 0.037 0.000 0.972 500 Q CA 1.541 57.316 55.803 -0.046 0.000 0.847 500 Q CB -0.254 28.337 28.738 -0.246 0.000 0.903 500 Q HN 0.974 nan 8.270 nan 0.000 0.433 501 Y N 0.510 120.820 120.300 0.017 0.000 2.053 501 Y HA -0.327 4.223 4.550 0.000 0.000 0.277 501 Y C 2.088 178.004 175.900 0.026 0.000 1.159 501 Y CA 2.253 60.366 58.100 0.021 0.000 1.125 501 Y CB -0.735 37.751 38.460 0.043 0.000 0.969 501 Y HN 0.195 nan 8.280 nan 0.000 0.492 502 A N 0.667 123.494 122.820 0.013 0.000 1.933 502 A HA -0.165 4.155 4.320 0.000 0.000 0.218 502 A C 2.442 179.978 177.584 -0.080 0.000 1.175 502 A CA 1.626 53.611 52.037 -0.087 0.000 0.628 502 A CB -1.205 17.846 19.000 0.084 0.000 0.814 502 A HN 0.657 nan 8.150 nan 0.000 0.444 503 L N -0.639 120.580 121.223 -0.007 0.000 2.012 503 L HA -0.180 4.160 4.340 0.000 0.000 0.210 503 L C 2.652 179.490 176.870 -0.053 0.000 1.073 503 L CA 1.814 56.646 54.840 -0.014 0.000 0.748 503 L CB -0.969 41.089 42.059 -0.002 0.000 0.891 503 L HN 0.486 nan 8.230 nan 0.000 0.431 504 G N 0.208 108.951 108.800 -0.094 0.000 2.514 504 G HA2 -0.325 3.635 3.960 0.000 0.000 0.217 504 G HA3 -0.325 3.635 3.960 0.000 0.000 0.217 504 G C 1.437 176.311 174.900 -0.042 0.000 1.198 504 G CA 1.154 46.206 45.100 -0.079 0.000 0.780 504 G HN 0.336 nan 8.290 nan 0.000 0.565 505 I N 0.923 121.395 120.570 -0.162 0.000 2.151 505 I HA -0.179 3.991 4.170 0.000 0.000 0.243 505 I C 2.698 178.801 176.117 -0.022 0.000 1.080 505 I CA 1.133 62.341 61.300 -0.153 0.000 1.339 505 I CB -0.212 37.533 38.000 -0.425 0.000 1.039 505 I HN 0.181 nan 8.210 nan 0.000 0.409 506 I N -0.576 119.981 120.570 -0.020 0.000 2.286 506 I HA -0.261 3.910 4.170 0.000 0.000 0.245 506 I C 2.413 178.623 176.117 0.154 0.000 1.104 506 I CA 1.142 62.488 61.300 0.076 0.000 1.397 506 I CB -0.484 37.532 38.000 0.028 0.000 1.072 506 I HN 0.273 nan 8.210 nan 0.000 0.417 507 Q N 0.662 120.524 119.800 0.103 0.000 2.291 507 Q HA -0.123 4.217 4.340 0.000 0.000 0.206 507 Q C 2.078 178.183 176.000 0.176 0.000 0.976 507 Q CA 1.317 57.190 55.803 0.118 0.000 0.875 507 Q CB -0.149 28.631 28.738 0.070 0.000 0.927 507 Q HN 0.564 nan 8.270 nan 0.000 0.450 508 A N 0.553 123.512 122.820 0.232 0.000 2.252 508 A HA -0.062 4.258 4.320 0.000 0.000 0.207 508 A C 0.138 177.899 177.584 0.295 0.000 1.194 508 A CA -0.025 52.209 52.037 0.328 0.000 0.809 508 A CB -0.140 19.109 19.000 0.415 0.000 0.814 508 A HN 0.397 nan 8.150 nan 0.000 0.482 509 Q N -0.873 119.046 119.800 0.198 0.000 2.431 509 Q HA -0.143 4.197 4.340 0.000 0.000 0.344 509 Q C -2.324 173.704 176.000 0.047 0.000 1.384 509 Q CA 0.429 56.242 55.803 0.017 0.000 0.984 509 Q CB -1.641 27.036 28.738 -0.103 0.000 1.204 509 Q HN 0.573 nan 8.270 nan 0.000 0.392 510 P HA 0.031 nan 4.420 nan 0.000 0.277 510 P C -0.131 177.263 177.300 0.157 0.000 1.240 510 P CA 0.116 63.301 63.100 0.141 0.000 0.798 510 P CB 0.882 32.681 31.700 0.165 0.000 0.979 511 D N -0.638 119.811 120.400 0.082 0.000 2.479 511 D HA 0.008 4.649 4.640 0.000 0.000 0.216 511 D C 0.296 176.574 176.300 -0.036 0.000 1.110 511 D CA 0.408 54.415 54.000 0.013 0.000 0.841 511 D CB 0.202 40.959 40.800 -0.071 0.000 1.040 511 D HN 0.471 nan 8.370 nan 0.000 0.505 512 Q N -0.820 118.992 119.800 0.021 0.000 2.456 512 Q HA 0.699 5.039 4.340 0.000 0.000 0.283 512 Q C -1.185 174.863 176.000 0.079 0.000 1.084 512 Q CA -1.013 54.802 55.803 0.020 0.000 0.801 512 Q CB 2.354 31.099 28.738 0.012 0.000 1.434 512 Q HN -0.041 nan 8.270 nan 0.000 0.419 513 S N -0.472 115.273 115.700 0.076 0.000 2.565 513 S HA 0.204 4.675 4.470 0.000 0.000 0.269 513 S C -0.424 174.221 174.600 0.075 0.000 1.153 513 S CA -0.405 57.880 58.200 0.141 0.000 0.835 513 S CB 1.957 65.314 63.200 0.263 0.000 1.122 513 S HN 0.737 nan 8.310 nan 0.000 0.462 514 E N 0.917 121.148 120.200 0.053 0.000 2.208 514 E HA 0.052 4.402 4.350 0.000 0.000 0.193 514 E C 0.354 176.983 176.600 0.048 0.000 0.988 514 E CA 0.453 56.866 56.400 0.022 0.000 0.828 514 E CB 0.181 29.871 29.700 -0.017 0.000 0.763 514 E HN 0.416 nan 8.360 nan 0.000 0.478 515 S N 0.340 116.104 115.700 0.107 0.000 2.523 515 S HA 0.022 4.493 4.470 0.000 0.000 0.275 515 S C 0.885 175.506 174.600 0.034 0.000 1.281 515 S CA -0.493 57.762 58.200 0.092 0.000 1.050 515 S CB 1.324 64.623 63.200 0.164 0.000 0.937 515 S HN 0.125 nan 8.310 nan 0.000 0.492 516 E N 4.268 124.465 120.200 -0.005 0.000 2.072 516 E HA -0.097 4.253 4.350 0.000 0.000 0.190 516 E C 1.683 178.222 176.600 -0.102 0.000 0.982 516 E CA 1.312 57.684 56.400 -0.047 0.000 0.803 516 E CB -0.406 29.265 29.700 -0.048 0.000 0.755 516 E HN 0.663 nan 8.360 nan 0.000 0.453 517 L N 0.051 121.209 121.223 -0.108 0.000 2.013 517 L HA -0.143 4.198 4.340 0.000 0.000 0.212 517 L C 2.232 178.986 176.870 -0.193 0.000 1.073 517 L CA 1.689 56.413 54.840 -0.193 0.000 0.753 517 L CB -0.721 41.271 42.059 -0.111 0.000 0.890 517 L HN 0.159 nan 8.230 nan 0.000 0.432 518 V N -0.078 119.779 119.914 -0.095 0.000 2.427 518 V HA -0.271 3.849 4.120 0.000 0.000 0.248 518 V C 2.276 178.321 176.094 -0.082 0.000 1.051 518 V CA 1.958 64.201 62.300 -0.094 0.000 1.048 518 V CB -0.969 30.790 31.823 -0.106 0.000 0.666 518 V HN 0.511 nan 8.190 nan 0.000 0.456 519 N N -0.240 118.421 118.700 -0.066 0.000 2.223 519 N HA -0.177 4.563 4.740 0.000 0.000 0.185 519 N C 1.932 177.385 175.510 -0.094 0.000 1.016 519 N CA 1.155 54.166 53.050 -0.065 0.000 0.863 519 N CB -0.151 38.304 38.487 -0.054 0.000 0.983 519 N HN 0.566 nan 8.380 nan 0.000 0.429 520 Q N 0.047 119.749 119.800 -0.164 0.000 2.079 520 Q HA -0.046 4.294 4.340 0.000 0.000 0.200 520 Q C 1.939 177.901 176.000 -0.063 0.000 0.974 520 Q CA 0.921 56.603 55.803 -0.201 0.000 0.840 520 Q CB -0.065 28.324 28.738 -0.581 0.000 0.898 520 Q HN 0.461 nan 8.270 nan 0.000 0.430 521 I N 0.614 121.129 120.570 -0.092 0.000 2.264 521 I HA -0.303 3.867 4.170 0.000 0.000 0.248 521 I C 2.141 178.221 176.117 -0.062 0.000 1.111 521 I CA 1.141 62.456 61.300 0.026 0.000 1.382 521 I CB -0.251 37.741 38.000 -0.013 0.000 1.060 521 I HN 0.200 nan 8.210 nan 0.000 0.418 522 I N 0.976 121.498 120.570 -0.079 0.000 2.179 522 I HA -0.307 3.863 4.170 0.000 0.000 0.242 522 I C 2.677 178.733 176.117 -0.102 0.000 1.088 522 I CA 1.841 63.082 61.300 -0.099 0.000 1.357 522 I CB -0.525 37.465 38.000 -0.016 0.000 1.051 522 I HN 0.342 nan 8.210 nan 0.000 0.409 523 E N 0.638 120.803 120.200 -0.058 0.000 2.153 523 E HA -0.256 4.094 4.350 0.000 0.000 0.194 523 E C 1.981 178.567 176.600 -0.023 0.000 0.988 523 E CA 0.872 57.250 56.400 -0.037 0.000 0.811 523 E CB -0.270 29.416 29.700 -0.024 0.000 0.746 523 E HN 0.498 nan 8.360 nan 0.000 0.466 524 Q N 0.888 120.680 119.800 -0.013 0.000 2.046 524 Q HA -0.045 4.295 4.340 0.000 0.000 0.200 524 Q C 2.527 178.466 176.000 -0.102 0.000 0.975 524 Q CA 1.027 56.809 55.803 -0.035 0.000 0.836 524 Q CB -0.287 28.446 28.738 -0.008 0.000 0.896 524 Q HN 0.414 nan 8.270 nan 0.000 0.428 525 L N 0.335 121.440 121.223 -0.197 0.000 2.079 525 L HA -0.200 4.141 4.340 0.000 0.000 0.210 525 L C 2.343 179.081 176.870 -0.220 0.000 1.081 525 L CA 0.979 55.609 54.840 -0.351 0.000 0.752 525 L CB -0.412 41.144 42.059 -0.839 0.000 0.896 525 L HN 0.178 nan 8.230 nan 0.000 0.433 526 I N -0.884 119.629 120.570 -0.095 0.000 2.439 526 I HA -0.237 3.934 4.170 0.000 0.000 0.251 526 I C 2.441 178.608 176.117 0.083 0.000 1.139 526 I CA 1.057 62.422 61.300 0.108 0.000 1.438 526 I CB -0.322 37.795 38.000 0.195 0.000 1.085 526 I HN 0.156 nan 8.210 nan 0.000 0.427 527 K N 0.851 121.267 120.400 0.027 0.000 2.148 527 K HA -0.097 4.223 4.320 0.000 0.000 0.204 527 K C 1.042 177.650 176.600 0.013 0.000 1.050 527 K CA 0.786 57.087 56.287 0.023 0.000 0.942 527 K CB -0.042 32.459 32.500 0.001 0.000 0.724 527 K HN 0.066 nan 8.250 nan 0.000 0.446 528 K N 0.854 121.248 120.400 -0.009 0.000 2.159 528 K HA -0.036 4.284 4.320 0.000 0.000 0.242 528 K C 1.129 177.743 176.600 0.022 0.000 1.043 528 K CA 0.728 57.008 56.287 -0.010 0.000 0.856 528 K CB 0.401 32.878 32.500 -0.039 0.000 1.072 528 K HN 0.024 nan 8.250 nan 0.000 0.514 529 E N 0.199 120.412 120.200 0.022 0.000 2.288 529 E HA 0.106 4.456 4.350 0.000 0.000 0.200 529 E C -0.483 176.145 176.600 0.047 0.000 0.880 529 E CA 0.394 56.816 56.400 0.036 0.000 0.971 529 E CB 0.575 30.291 29.700 0.027 0.000 0.954 529 E HN 0.223 nan 8.360 nan 0.000 0.489 530 K N 1.324 121.748 120.400 0.039 0.000 2.637 530 K HA 0.391 4.711 4.320 0.000 0.000 0.248 530 K C -1.538 175.095 176.600 0.054 0.000 0.971 530 K CA -0.307 56.013 56.287 0.055 0.000 0.858 530 K CB 2.862 35.391 32.500 0.048 0.000 1.170 530 K HN -0.158 nan 8.250 nan 0.000 0.443 531 V N 3.728 123.684 119.914 0.071 0.000 2.409 531 V HA 0.296 4.416 4.120 0.000 0.000 0.291 531 V C -1.075 175.095 176.094 0.126 0.000 1.020 531 V CA -0.923 61.413 62.300 0.061 0.000 0.848 531 V CB 1.076 32.901 31.823 0.003 0.000 0.990 531 V HN 0.616 nan 8.190 nan 0.000 0.430 532 Y N 5.783 126.084 120.300 0.002 0.000 2.341 532 Y HA 0.762 5.312 4.550 0.000 0.000 0.337 532 Y C -0.860 175.040 175.900 0.001 0.000 1.014 532 Y CA -0.940 57.166 58.100 0.009 0.000 1.111 532 Y CB 1.699 40.162 38.460 0.004 0.000 1.194 532 Y HN 0.603 nan 8.280 nan 0.000 0.462 533 L N 5.800 126.652 121.223 -0.618 0.000 2.385 533 L HA 0.951 5.291 4.340 0.000 0.000 0.273 533 L C -1.372 175.141 176.870 -0.596 0.000 0.990 533 L CA -0.376 54.206 54.840 -0.429 0.000 0.821 533 L CB 1.576 43.516 42.059 -0.198 0.000 1.279 533 L HN 0.761 nan 8.230 nan 0.000 0.412 534 A N 3.564 126.203 122.820 -0.302 0.000 2.527 534 A HA 0.774 5.095 4.320 0.000 0.000 0.293 534 A C -2.308 175.314 177.584 0.062 0.000 1.117 534 A CA -0.551 51.408 52.037 -0.130 0.000 0.723 534 A CB 1.059 20.050 19.000 -0.015 0.000 1.313 534 A HN 0.815 nan 8.150 nan 0.000 0.411 535 W N 1.023 122.288 121.300 -0.059 0.000 2.819 535 W HA 0.609 5.269 4.660 0.000 0.000 0.337 535 W C -0.982 175.540 176.519 0.006 0.000 1.077 535 W CA -0.473 56.857 57.345 -0.025 0.000 1.226 535 W CB 1.971 31.416 29.460 -0.025 0.000 1.419 535 W HN 0.958 nan 8.180 nan 0.000 0.502 536 V N 3.033 122.360 119.914 -0.978 0.000 3.040 536 V HA 0.742 4.862 4.120 0.000 0.000 0.312 536 V C -2.756 172.289 176.094 -1.749 0.000 1.115 536 V CA -3.182 58.518 62.300 -1.001 0.000 0.998 536 V CB 1.551 33.129 31.823 -0.408 0.000 1.042 536 V HN 0.483 nan 8.190 nan 0.000 0.433 537 P HA 0.371 nan 4.420 nan 0.000 0.268 537 P C -0.236 176.850 177.300 -0.357 0.000 1.205 537 P CA 0.399 63.131 63.100 -0.613 0.000 0.771 537 P CB 0.585 32.183 31.700 -0.169 0.000 0.858 538 A N 2.844 125.546 122.820 -0.196 0.000 2.351 538 A HA 0.272 4.592 4.320 0.000 0.000 0.257 538 A C -0.078 177.450 177.584 -0.094 0.000 1.087 538 A CA -0.268 51.642 52.037 -0.211 0.000 0.798 538 A CB -0.911 17.979 19.000 -0.184 0.000 1.033 538 A HN 0.807 nan 8.150 nan 0.000 0.488 539 H N -0.461 118.591 119.070 -0.029 0.000 2.692 539 H HA -0.109 4.447 4.556 0.000 0.000 0.316 539 H C 0.261 175.577 175.328 -0.020 0.000 1.176 539 H CA 1.045 57.083 56.048 -0.017 0.000 1.142 539 H CB -0.899 28.861 29.762 -0.002 0.000 1.475 539 H HN 0.556 nan 8.280 nan 0.000 0.423 540 K N -0.215 120.200 120.400 0.025 0.000 2.438 540 K HA 0.251 4.572 4.320 0.000 0.000 0.206 540 K C 1.315 177.913 176.600 -0.004 0.000 1.081 540 K CA 0.615 56.909 56.287 0.012 0.000 1.053 540 K CB 1.158 33.650 32.500 -0.013 0.000 0.908 540 K HN 0.565 nan 8.250 nan 0.000 0.556 541 G N 2.480 111.274 108.800 -0.010 0.000 2.272 541 G HA2 -0.262 3.698 3.960 0.000 0.000 0.280 541 G HA3 -0.262 3.698 3.960 0.000 0.000 0.280 541 G C 0.009 174.887 174.900 -0.038 0.000 1.067 541 G CA 0.040 45.128 45.100 -0.021 0.000 0.902 541 G HN 0.275 nan 8.290 nan 0.000 0.500 542 I N 0.485 121.024 120.570 -0.051 0.000 2.396 542 I HA 0.465 4.635 4.170 0.000 0.000 0.292 542 I C 1.907 177.981 176.117 -0.071 0.000 0.999 542 I CA 0.341 61.611 61.300 -0.049 0.000 1.310 542 I CB 1.014 38.984 38.000 -0.050 0.000 1.404 542 I HN 0.441 nan 8.210 nan 0.000 0.496 543 G N 4.580 113.336 108.800 -0.073 0.000 2.730 543 G HA2 -0.372 3.588 3.960 0.000 0.000 0.531 543 G HA3 -0.372 3.588 3.960 0.000 0.000 0.531 543 G C 1.131 175.821 174.900 -0.351 0.000 1.112 543 G CA 0.890 45.895 45.100 -0.157 0.000 0.868 543 G HN 0.914 nan 8.290 nan 0.000 0.740 544 G N -0.231 108.058 108.800 -0.852 0.000 2.572 544 G HA2 -0.095 3.865 3.960 0.000 0.000 0.216 544 G HA3 -0.095 3.865 3.960 0.000 0.000 0.216 544 G C 1.526 176.153 174.900 -0.455 0.000 1.133 544 G CA 1.202 45.638 45.100 -1.106 0.000 0.791 544 G HN 0.719 nan 8.290 nan 0.000 0.538 545 N N 0.784 119.389 118.700 -0.157 0.000 2.205 545 N HA -0.135 4.605 4.740 0.000 0.000 0.186 545 N C 2.000 177.467 175.510 -0.071 0.000 1.015 545 N CA 1.280 54.325 53.050 -0.008 0.000 0.862 545 N CB -0.096 38.389 38.487 -0.004 0.000 0.986 545 N HN 0.503 nan 8.380 nan 0.000 0.429 546 E N 0.033 120.173 120.200 -0.100 0.000 2.204 546 E HA -0.177 4.173 4.350 0.000 0.000 0.194 546 E C 1.648 178.206 176.600 -0.071 0.000 0.989 546 E CA 0.919 57.273 56.400 -0.076 0.000 0.824 546 E CB 0.214 29.869 29.700 -0.075 0.000 0.756 546 E HN 0.349 nan 8.360 nan 0.000 0.477 547 Q N -0.729 119.011 119.800 -0.099 0.000 2.123 547 Q HA -0.047 4.293 4.340 0.000 0.000 0.196 547 Q C 2.091 178.064 176.000 -0.046 0.000 0.958 547 Q CA 1.185 56.939 55.803 -0.081 0.000 0.841 547 Q CB 0.355 29.023 28.738 -0.117 0.000 0.915 547 Q HN 0.187 nan 8.270 nan 0.000 0.455 548 V N 0.450 120.347 119.914 -0.027 0.000 2.667 548 V HA -0.160 3.960 4.120 0.000 0.000 0.252 548 V C 1.622 177.714 176.094 -0.003 0.000 1.065 548 V CA 1.589 63.892 62.300 0.006 0.000 1.083 548 V CB -0.556 31.302 31.823 0.058 0.000 0.692 548 V HN 0.276 nan 8.190 nan 0.000 0.468 549 D N 1.486 121.875 120.400 -0.019 0.000 2.123 549 D HA -0.221 4.419 4.640 0.000 0.000 0.196 549 D C 2.259 178.561 176.300 0.003 0.000 0.992 549 D CA 1.796 55.785 54.000 -0.017 0.000 0.833 549 D CB -0.112 40.668 40.800 -0.034 0.000 0.954 549 D HN 0.631 nan 8.370 nan 0.000 0.455 550 K N -0.321 120.075 120.400 -0.006 0.000 2.155 550 K HA -0.113 4.207 4.320 0.000 0.000 0.203 550 K C 2.063 178.660 176.600 -0.005 0.000 1.052 550 K CA 0.598 56.884 56.287 -0.003 0.000 0.948 550 K CB -0.338 32.155 32.500 -0.012 0.000 0.728 550 K HN 0.099 nan 8.250 nan 0.000 0.448 551 L N 2.122 123.339 121.223 -0.011 0.000 1.973 551 L HA -0.155 4.185 4.340 0.000 0.000 0.208 551 L C 2.657 179.523 176.870 -0.008 0.000 1.073 551 L CA 1.520 56.351 54.840 -0.016 0.000 0.746 551 L CB -0.656 41.387 42.059 -0.027 0.000 0.891 551 L HN 0.259 nan 8.230 nan 0.000 0.433 552 V N -4.797 115.117 119.914 0.001 0.000 2.626 552 V HA -0.119 4.001 4.120 0.000 0.000 0.252 552 V C 2.169 178.273 176.094 0.017 0.000 1.067 552 V CA 1.720 64.026 62.300 0.009 0.000 1.081 552 V CB -0.772 31.062 31.823 0.019 0.000 0.686 552 V HN 0.366 nan 8.190 nan 0.000 0.468 553 S N 1.006 116.719 115.700 0.021 0.000 2.436 553 S HA 0.323 4.793 4.470 0.000 0.000 0.228 553 S C 1.404 176.014 174.600 0.017 0.000 1.014 553 S CA 0.608 58.825 58.200 0.028 0.000 0.950 553 S CB -0.490 62.734 63.200 0.041 0.000 0.784 553 S HN 0.955 nan 8.310 nan 0.000 0.504 554 A N 1.273 124.098 122.820 0.009 0.000 2.540 554 A HA 0.431 4.751 4.320 0.000 0.000 0.264 554 A C 1.414 179.000 177.584 0.004 0.000 1.080 554 A CA 0.531 52.570 52.037 0.003 0.000 0.776 554 A CB -1.111 17.888 19.000 -0.003 0.000 1.011 554 A HN 0.996 nan 8.150 nan 0.000 0.514 555 G N 1.760 110.562 108.800 0.004 0.000 2.160 555 G HA2 -0.216 3.745 3.960 0.000 0.000 0.251 555 G HA3 -0.216 3.745 3.960 0.000 0.000 0.251 555 G C 0.418 175.322 174.900 0.007 0.000 1.008 555 G CA 0.423 45.525 45.100 0.004 0.000 0.724 555 G HN 0.692 nan 8.290 nan 0.000 0.514 556 I N -0.819 119.757 120.570 0.010 0.000 3.746 556 I HA 0.270 4.440 4.170 0.000 0.000 0.262 556 I C 1.429 177.555 176.117 0.014 0.000 1.153 556 I CA 1.546 62.854 61.300 0.013 0.000 1.395 556 I CB -0.229 37.782 38.000 0.018 0.000 1.589 556 I HN 0.541 nan 8.210 nan 0.000 0.441 557 R N 0.000 120.511 120.500 0.018 0.000 2.786 557 R HA 0.000 4.340 4.340 0.000 0.000 0.208 557 R CA 0.000 56.110 56.100 0.016 0.000 0.921 557 R CB 0.000 30.317 30.300 0.028 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535