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 2hrh_1_A DATA FIRST_RESID 1 DATA SEQUENCE AIGPVADLTI SNGAVSPDGF SRQAILVNDV FPSPLITGNK GDRFQLNVID DATA SEQUENCE NMTNHTMLKS TSIHWHGFFQ HGTNWADGPA FVNQcPISTG HAFLYDFQVP DATA SEQUENCE DQAGTFWYHS HLSTQYcDGL RGPIVVYDPQ DPHKSLYDVD DDSTVITLAD DATA SEQUENCE WYHLAAKVGS PVPTADATLI NGLGRSIDTL NADLAVITVT KGKRYRFRLV DATA SEQUENCE SLScDPNHVF SIDGHSLTVI EADSVNLKPQ TVDSIQIFAA QRYSFVLNAD DATA SEQUENCE QDVGNYWIRA LPNSGTRNFD GGVNSAILRY DGAAPVEPTT SQTPSTNPLV DATA SEQUENCE ESALTTLEGT AAPGSPAPGG VDLALNMAFG FAGGKFTING ASFTPPTVPV DATA SEQUENCE LLQILSGAQS AQDLLPSGSV YSLPANADIE ISLPATAAAP GFPHPFHLHG DATA SEQUENCE HTFAVVRSAG SSTYNYENPV YRDVVSTGSP GDNVTIRFRT DNPGPWFLHC DATA SEQUENCE HIDFHLEAGF AVVMAEDIPE VAATNPVPQA WSDLcPTYDA LSPDDQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.624 177.584 0.067 0.000 1.274 1 A CA 0.000 52.088 52.037 0.085 0.000 0.836 1 A CB 0.000 19.073 19.000 0.121 0.000 0.831 2 I N -0.177 120.438 120.570 0.075 0.000 2.740 2 I HA 0.690 4.856 4.170 -0.007 0.000 0.303 2 I C 0.608 176.745 176.117 0.033 0.000 1.044 2 I CA 0.891 62.219 61.300 0.047 0.000 1.064 2 I CB 2.247 40.280 38.000 0.055 0.000 1.249 2 I HN 2.111 nan 8.210 nan 0.000 0.433 3 G N 5.460 114.248 108.800 -0.021 0.000 2.655 3 G HA2 -0.102 3.854 3.960 -0.007 0.000 0.680 3 G HA3 -0.102 3.854 3.960 -0.007 0.000 0.680 3 G C -2.473 172.325 174.900 -0.169 0.000 1.302 3 G CA -0.417 44.630 45.100 -0.088 0.000 0.872 3 G HN 0.461 nan 8.290 nan 0.000 0.540 4 P HA 0.216 nan 4.420 nan 0.000 0.242 4 P C 0.285 177.334 177.300 -0.419 0.000 1.197 4 P CA 0.690 63.380 63.100 -0.684 0.000 0.765 4 P CB 0.262 31.118 31.700 -1.407 0.000 0.936 5 V N 0.377 120.134 119.914 -0.262 0.000 2.376 5 V HA 0.730 4.846 4.120 -0.007 0.000 0.287 5 V C -0.109 175.914 176.094 -0.118 0.000 1.015 5 V CA -0.576 61.608 62.300 -0.193 0.000 0.834 5 V CB 1.233 32.952 31.823 -0.174 0.000 1.001 5 V HN 0.223 nan 8.190 nan 0.000 0.428 6 A N 3.748 126.514 122.820 -0.090 0.000 2.599 6 A HA 0.672 4.987 4.320 -0.007 0.000 0.294 6 A C -1.618 175.958 177.584 -0.012 0.000 1.055 6 A CA -0.760 51.251 52.037 -0.042 0.000 0.683 6 A CB 1.372 20.354 19.000 -0.030 0.000 1.278 6 A HN 0.586 nan 8.150 nan 0.000 0.412 7 D N 1.103 121.511 120.400 0.015 0.000 2.304 7 D HA 0.484 5.120 4.640 -0.007 0.000 0.250 7 D C -0.591 175.750 176.300 0.069 0.000 1.107 7 D CA 0.376 54.404 54.000 0.047 0.000 0.885 7 D CB 1.328 42.157 40.800 0.049 0.000 1.192 7 D HN 0.399 nan 8.370 nan 0.000 0.436 8 L N 2.351 123.637 121.223 0.105 0.000 2.366 8 L HA 0.219 4.555 4.340 -0.007 0.000 0.266 8 L C 0.035 176.998 176.870 0.155 0.000 1.010 8 L CA -0.472 54.447 54.840 0.132 0.000 0.879 8 L CB 1.295 43.445 42.059 0.152 0.000 1.228 8 L HN 0.102 nan 8.230 nan 0.000 0.439 9 T N 4.129 118.767 114.554 0.139 0.000 2.771 9 T HA 0.467 4.813 4.350 -0.007 0.000 0.291 9 T C 0.175 174.970 174.700 0.159 0.000 0.954 9 T CA -0.260 61.924 62.100 0.140 0.000 1.045 9 T CB 1.070 70.005 68.868 0.113 0.000 0.917 9 T HN 0.159 nan 8.240 nan 0.000 0.484 10 I N 3.897 124.568 120.570 0.168 0.000 2.377 10 I HA 0.546 4.712 4.170 -0.007 0.000 0.293 10 I C 0.610 176.821 176.117 0.158 0.000 0.987 10 I CA -0.668 60.739 61.300 0.178 0.000 1.185 10 I CB 0.844 38.959 38.000 0.192 0.000 1.341 10 I HN 0.733 nan 8.210 nan 0.000 0.455 11 S N 4.800 120.595 115.700 0.157 0.000 2.671 11 S HA 0.606 5.072 4.470 -0.007 0.000 0.277 11 S C -0.911 173.774 174.600 0.142 0.000 1.165 11 S CA -1.077 57.206 58.200 0.137 0.000 0.822 11 S CB 1.934 65.206 63.200 0.120 0.000 1.150 11 S HN 0.580 nan 8.310 nan 0.000 0.479 12 N N -0.831 117.943 118.700 0.123 0.000 2.487 12 N HA 0.766 5.502 4.740 -0.007 0.000 0.292 12 N C -0.197 175.375 175.510 0.104 0.000 1.108 12 N CA -0.513 52.608 53.050 0.118 0.000 0.956 12 N CB 1.713 40.262 38.487 0.103 0.000 1.176 12 N HN 1.008 nan 8.380 nan 0.000 0.484 13 G N -0.719 108.142 108.800 0.102 0.000 2.576 13 G HA2 0.585 4.541 3.960 -0.007 0.000 0.290 13 G HA3 0.585 4.541 3.960 -0.007 0.000 0.290 13 G C -1.654 173.283 174.900 0.062 0.000 1.442 13 G CA -0.746 44.401 45.100 0.079 0.000 0.792 13 G HN 0.645 nan 8.290 nan 0.000 0.491 14 A N -0.693 122.148 122.820 0.036 0.000 2.354 14 A HA 0.810 5.125 4.320 -0.007 0.000 0.269 14 A C 0.491 178.068 177.584 -0.012 0.000 1.109 14 A CA 0.206 52.248 52.037 0.008 0.000 0.800 14 A CB 0.660 19.651 19.000 -0.015 0.000 1.045 14 A HN 2.224 nan 8.150 nan 0.000 0.489 15 V N -0.665 119.217 119.914 -0.053 0.000 3.159 15 V HA 0.927 5.043 4.120 -0.007 0.000 0.308 15 V C -0.236 175.780 176.094 -0.131 0.000 1.190 15 V CA -0.010 62.206 62.300 -0.140 0.000 1.037 15 V CB 1.946 33.504 31.823 -0.442 0.000 1.060 15 V HN 1.458 nan 8.190 nan 0.000 0.437 16 S N -0.070 115.539 115.700 -0.152 0.000 2.606 16 S HA 0.463 4.929 4.470 -0.007 0.000 0.156 16 S C -1.999 172.539 174.600 -0.103 0.000 1.308 16 S CA -0.233 57.915 58.200 -0.086 0.000 1.228 16 S CB 0.861 64.026 63.200 -0.058 0.000 1.568 16 S HN 0.794 nan 8.310 nan 0.000 0.397 17 P HA 0.074 nan 4.420 nan 0.000 0.231 17 P C 0.249 177.491 177.300 -0.096 0.000 1.168 17 P CA 0.932 63.906 63.100 -0.210 0.000 0.779 17 P CB -0.055 31.398 31.700 -0.412 0.000 0.844 18 D N -1.369 119.024 120.400 -0.012 0.000 2.559 18 D HA 0.195 4.831 4.640 -0.007 0.000 0.234 18 D C 1.238 177.628 176.300 0.150 0.000 1.226 18 D CA -0.172 53.894 54.000 0.110 0.000 0.830 18 D CB -0.551 40.380 40.800 0.218 0.000 1.028 18 D HN 0.185 nan 8.370 nan 0.000 0.492 19 G N 0.146 109.008 108.800 0.104 0.000 2.179 19 G HA2 -0.287 3.669 3.960 -0.007 0.000 0.260 19 G HA3 -0.287 3.669 3.960 -0.007 0.000 0.260 19 G C -0.150 174.834 174.900 0.140 0.000 0.977 19 G CA 0.327 45.486 45.100 0.098 0.000 0.641 19 G HN 0.481 nan 8.290 nan 0.000 0.533 20 F N 2.388 122.327 119.950 -0.020 0.000 2.492 20 F HA 0.715 5.238 4.527 -0.006 0.000 0.327 20 F C 0.416 176.184 175.800 -0.053 0.000 1.079 20 F CA -0.289 57.653 58.000 -0.097 0.000 0.967 20 F CB 1.976 40.788 39.000 -0.314 0.000 1.169 20 F HN 0.344 nan 8.300 nan 0.000 0.472 21 S N 4.802 120.038 115.700 -0.773 0.000 2.532 21 S HA 0.915 5.381 4.470 -0.007 0.000 0.301 21 S C -1.008 173.346 174.600 -0.411 0.000 1.083 21 S CA -0.976 56.980 58.200 -0.406 0.000 1.025 21 S CB 2.258 65.307 63.200 -0.250 0.000 1.056 21 S HN 0.935 nan 8.310 nan 0.000 0.494 22 R N 0.046 120.510 120.500 -0.060 0.000 2.734 22 R HA 0.506 4.842 4.340 -0.007 0.000 0.271 22 R C -1.489 174.849 176.300 0.063 0.000 1.021 22 R CA -1.084 55.039 56.100 0.038 0.000 0.893 22 R CB 0.536 30.966 30.300 0.217 0.000 1.244 22 R HN 0.408 nan 8.270 nan 0.000 0.464 23 Q N 0.504 120.340 119.800 0.061 0.000 2.286 23 Q HA 0.467 4.803 4.340 -0.007 0.000 0.267 23 Q C -0.598 175.463 176.000 0.103 0.000 1.028 23 Q CA 0.373 56.216 55.803 0.067 0.000 0.901 23 Q CB 1.518 30.290 28.738 0.056 0.000 1.183 23 Q HN 0.728 nan 8.270 nan 0.000 0.392 24 A N 3.484 126.375 122.820 0.120 0.000 2.681 24 A HA 0.770 5.086 4.320 -0.007 0.000 0.278 24 A C -0.837 176.860 177.584 0.188 0.000 1.272 24 A CA -0.659 51.483 52.037 0.175 0.000 0.750 24 A CB 0.957 20.094 19.000 0.229 0.000 1.351 24 A HN 0.618 nan 8.150 nan 0.000 0.514 25 I N 0.761 121.491 120.570 0.266 0.000 2.362 25 I HA 0.351 4.517 4.170 -0.007 0.000 0.289 25 I C -1.269 175.044 176.117 0.326 0.000 0.994 25 I CA -0.530 60.929 61.300 0.265 0.000 1.158 25 I CB 1.469 39.626 38.000 0.260 0.000 1.315 25 I HN 0.305 nan 8.210 nan 0.000 0.451 26 L N 7.466 128.845 121.223 0.258 0.000 2.334 26 L HA 0.569 4.905 4.340 -0.007 0.000 0.275 26 L C -0.283 176.723 176.870 0.227 0.000 1.036 26 L CA -0.618 54.376 54.840 0.256 0.000 0.807 26 L CB 1.909 44.087 42.059 0.198 0.000 1.231 26 L HN 0.211 nan 8.230 nan 0.000 0.438 27 V N 2.864 122.910 119.914 0.220 0.000 2.487 27 V HA 0.391 4.507 4.120 -0.007 0.000 0.298 27 V C -0.161 176.036 176.094 0.172 0.000 1.028 27 V CA -1.169 61.257 62.300 0.210 0.000 0.860 27 V CB 1.532 33.511 31.823 0.260 0.000 0.991 27 V HN 0.782 nan 8.190 nan 0.000 0.427 28 N N 4.075 122.866 118.700 0.152 0.000 2.700 28 N HA -0.224 4.512 4.740 -0.007 0.000 0.265 28 N C 0.451 176.029 175.510 0.113 0.000 0.975 28 N CA 1.312 54.434 53.050 0.121 0.000 0.800 28 N CB -0.754 37.798 38.487 0.108 0.000 0.908 28 N HN 0.957 nan 8.380 nan 0.000 0.551 29 D N -3.688 116.784 120.400 0.120 0.000 2.978 29 D HA -0.195 4.441 4.640 -0.007 0.000 0.205 29 D C 0.305 176.680 176.300 0.124 0.000 1.093 29 D CA 1.579 55.646 54.000 0.113 0.000 1.006 29 D CB -1.284 39.569 40.800 0.089 0.000 1.116 29 D HN 0.536 nan 8.370 nan 0.000 0.419 30 V N -2.215 117.782 119.914 0.139 0.000 2.769 30 V HA 0.823 4.939 4.120 -0.007 0.000 0.312 30 V C -0.508 175.703 176.094 0.196 0.000 1.061 30 V CA -1.032 61.354 62.300 0.143 0.000 0.931 30 V CB 2.458 34.340 31.823 0.098 0.000 1.010 30 V HN -0.020 nan 8.190 nan 0.000 0.433 31 F N 5.787 125.767 119.950 0.051 0.000 2.532 31 F HA 0.922 5.444 4.527 -0.009 0.000 0.321 31 F C -2.024 173.770 175.800 -0.010 0.000 1.089 31 F CA -1.958 56.060 58.000 0.030 0.000 0.926 31 F CB 2.029 41.035 39.000 0.011 0.000 1.168 31 F HN 0.668 nan 8.300 nan 0.000 0.459 32 P HA 0.225 nan 4.420 nan 0.000 0.275 32 P C -0.987 176.070 177.300 -0.406 0.000 1.270 32 P CA -0.422 61.942 63.100 -1.226 0.000 0.791 32 P CB 0.510 31.684 31.700 -0.876 0.000 1.089 33 S N 1.083 116.618 115.700 -0.276 0.000 2.572 33 S HA 0.240 4.705 4.470 -0.007 0.000 0.279 33 S C -1.931 172.708 174.600 0.064 0.000 1.341 33 S CA -0.720 57.473 58.200 -0.011 0.000 1.043 33 S CB -0.491 62.720 63.200 0.018 0.000 0.887 33 S HN 0.451 nan 8.310 nan 0.000 0.516 34 P HA 0.160 nan 4.420 nan 0.000 0.271 34 P C -0.472 176.984 177.300 0.260 0.000 1.218 34 P CA -0.693 62.510 63.100 0.172 0.000 0.780 34 P CB 0.391 32.186 31.700 0.159 0.000 0.901 35 L N 3.458 124.796 121.223 0.191 0.000 2.453 35 L HA 0.226 4.562 4.340 -0.007 0.000 0.272 35 L C -0.270 176.728 176.870 0.214 0.000 1.182 35 L CA 0.154 55.123 54.840 0.215 0.000 0.858 35 L CB -0.514 41.635 42.059 0.149 0.000 1.120 35 L HN 0.227 nan 8.230 nan 0.000 0.474 36 I N 4.210 124.929 120.570 0.249 0.000 2.493 36 I HA 0.517 4.683 4.170 -0.007 0.000 0.298 36 I C 0.100 176.352 176.117 0.225 0.000 0.998 36 I CA -0.447 60.972 61.300 0.198 0.000 1.137 36 I CB 1.916 40.006 38.000 0.150 0.000 1.310 36 I HN 0.791 nan 8.210 nan 0.000 0.445 37 T N 1.310 115.990 114.554 0.210 0.000 2.887 37 T HA 0.928 5.274 4.350 -0.007 0.000 0.292 37 T C -0.382 174.424 174.700 0.178 0.000 1.087 37 T CA -0.814 61.423 62.100 0.228 0.000 1.009 37 T CB 2.327 71.367 68.868 0.287 0.000 1.203 37 T HN 0.900 nan 8.240 nan 0.000 0.518 38 G N 0.220 109.132 108.800 0.186 0.000 2.548 38 G HA2 0.588 4.544 3.960 -0.007 0.000 0.301 38 G HA3 0.588 4.544 3.960 -0.007 0.000 0.301 38 G C -1.968 173.008 174.900 0.127 0.000 1.349 38 G CA -1.116 43.981 45.100 -0.005 0.000 0.792 38 G HN 0.902 nan 8.290 nan 0.000 0.481 39 N N 0.115 118.844 118.700 0.048 0.000 2.362 39 N HA 0.402 5.138 4.740 -0.007 0.000 0.299 39 N C -0.231 175.321 175.510 0.069 0.000 1.170 39 N CA -0.972 52.136 53.050 0.098 0.000 0.825 39 N CB 1.952 40.478 38.487 0.064 0.000 1.299 39 N HN 0.561 nan 8.380 nan 0.000 0.502 40 K N 1.172 121.615 120.400 0.072 0.000 2.473 40 K HA -0.085 4.231 4.320 -0.007 0.000 0.277 40 K C 0.605 177.224 176.600 0.031 0.000 1.052 40 K CA 1.426 57.741 56.287 0.047 0.000 1.114 40 K CB -0.508 32.014 32.500 0.037 0.000 0.869 40 K HN 0.835 nan 8.250 nan 0.000 0.481 41 G N 3.520 112.341 108.800 0.036 0.000 2.284 41 G HA2 -0.215 3.741 3.960 -0.007 0.000 0.216 41 G HA3 -0.215 3.741 3.960 -0.007 0.000 0.216 41 G C -0.280 174.623 174.900 0.004 0.000 1.009 41 G CA 0.095 45.209 45.100 0.022 0.000 0.625 41 G HN 0.716 nan 8.290 nan 0.000 0.501 42 D N 0.827 121.209 120.400 -0.030 0.000 2.478 42 D HA 0.319 4.954 4.640 -0.007 0.000 0.234 42 D C 0.959 177.183 176.300 -0.126 0.000 1.154 42 D CA 0.221 54.135 54.000 -0.143 0.000 0.874 42 D CB 0.493 41.094 40.800 -0.331 0.000 1.198 42 D HN 0.572 nan 8.370 nan 0.000 0.455 43 R N 1.867 122.248 120.500 -0.199 0.000 2.265 43 R HA 0.232 4.568 4.340 -0.007 0.000 0.314 43 R C -0.877 175.171 176.300 -0.419 0.000 1.053 43 R CA -0.369 55.605 56.100 -0.210 0.000 0.931 43 R CB 0.195 30.398 30.300 -0.161 0.000 1.024 43 R HN 0.172 nan 8.270 nan 0.000 0.457 44 F N 2.889 122.460 119.950 -0.632 0.000 2.408 44 F HA 0.269 4.792 4.527 -0.007 0.000 0.344 44 F C 0.217 175.558 175.800 -0.764 0.000 1.112 44 F CA -0.065 57.436 58.000 -0.832 0.000 1.096 44 F CB 1.892 40.014 39.000 -1.462 0.000 1.129 44 F HN 0.384 nan 8.300 nan 0.000 0.486 45 Q N 5.657 125.230 119.800 -0.378 0.000 2.464 45 Q HA 0.426 4.762 4.340 -0.007 0.000 0.256 45 Q C -1.398 174.474 176.000 -0.214 0.000 1.020 45 Q CA -0.428 55.212 55.803 -0.272 0.000 0.716 45 Q CB 2.022 30.648 28.738 -0.187 0.000 1.230 45 Q HN 0.579 nan 8.270 nan 0.000 0.494 46 L N 2.505 123.597 121.223 -0.219 0.000 2.294 46 L HA 0.404 4.740 4.340 -0.007 0.000 0.283 46 L C -0.270 176.637 176.870 0.061 0.000 1.015 46 L CA -0.722 54.046 54.840 -0.121 0.000 0.831 46 L CB 0.915 42.789 42.059 -0.309 0.000 1.217 46 L HN 0.389 nan 8.230 nan 0.000 0.420 47 N N 2.844 121.579 118.700 0.059 0.000 2.439 47 N HA 0.288 5.024 4.740 -0.007 0.000 0.249 47 N C -1.080 174.532 175.510 0.170 0.000 1.003 47 N CA -0.294 52.811 53.050 0.092 0.000 0.942 47 N CB 1.490 39.999 38.487 0.037 0.000 1.115 47 N HN 0.234 nan 8.380 nan 0.000 0.505 48 V N 5.753 125.834 119.914 0.279 0.000 2.304 48 V HA 0.346 4.462 4.120 -0.007 0.000 0.269 48 V C 0.167 176.428 176.094 0.279 0.000 1.036 48 V CA -0.545 61.954 62.300 0.332 0.000 0.840 48 V CB 0.127 32.269 31.823 0.532 0.000 1.036 48 V HN 0.587 nan 8.190 nan 0.000 0.466 49 I N 4.371 125.068 120.570 0.211 0.000 2.306 49 I HA 0.261 4.427 4.170 -0.007 0.000 0.288 49 I C 0.083 176.307 176.117 0.179 0.000 1.036 49 I CA -0.241 61.166 61.300 0.178 0.000 1.221 49 I CB 1.110 39.188 38.000 0.131 0.000 1.385 49 I HN 0.466 nan 8.210 nan 0.000 0.472 50 D N 6.210 126.726 120.400 0.193 0.000 2.393 50 D HA 0.097 4.733 4.640 -0.007 0.000 0.232 50 D C 0.133 176.526 176.300 0.155 0.000 1.192 50 D CA -0.015 54.096 54.000 0.184 0.000 0.882 50 D CB 0.461 41.381 40.800 0.200 0.000 1.038 50 D HN 0.293 nan 8.370 nan 0.000 0.499 51 N N 3.951 122.734 118.700 0.137 0.000 2.321 51 N HA 0.116 4.852 4.740 -0.007 0.000 0.242 51 N C -0.074 175.505 175.510 0.115 0.000 1.141 51 N CA -0.146 52.973 53.050 0.115 0.000 0.864 51 N CB 0.165 38.712 38.487 0.099 0.000 1.100 51 N HN 0.484 nan 8.380 nan 0.000 0.510 52 M N 0.023 119.701 119.600 0.130 0.000 2.233 52 M HA 0.081 4.557 4.480 -0.007 0.000 0.350 52 M C 1.253 177.624 176.300 0.118 0.000 1.176 52 M CA 0.391 55.767 55.300 0.127 0.000 1.150 52 M CB 1.018 33.702 32.600 0.140 0.000 1.530 52 M HN 0.072 nan 8.290 nan 0.000 0.459 53 T N -2.625 111.994 114.554 0.108 0.000 3.043 53 T HA 0.157 4.503 4.350 -0.007 0.000 0.272 53 T C 0.296 175.061 174.700 0.109 0.000 0.990 53 T CA -0.384 61.776 62.100 0.099 0.000 0.897 53 T CB 0.052 68.969 68.868 0.080 0.000 1.111 53 T HN 0.576 nan 8.240 nan 0.000 0.529 54 N N 1.452 120.222 118.700 0.118 0.000 2.527 54 N HA 0.185 4.921 4.740 -0.007 0.000 0.236 54 N C 0.329 175.922 175.510 0.138 0.000 0.999 54 N CA -0.083 53.037 53.050 0.116 0.000 0.935 54 N CB 1.171 39.714 38.487 0.093 0.000 1.132 54 N HN 0.301 nan 8.380 nan 0.000 0.511 55 H N 2.659 121.765 119.070 0.059 0.000 2.389 55 H HA -0.016 4.536 4.556 -0.006 0.000 0.299 55 H C 1.112 176.477 175.328 0.061 0.000 1.081 55 H CA 2.215 58.299 56.048 0.060 0.000 1.345 55 H CB 0.302 30.093 29.762 0.047 0.000 1.393 55 H HN 0.454 nan 8.280 nan 0.000 0.520 56 T N 0.320 114.838 114.554 -0.060 0.000 2.778 56 T HA -0.172 4.174 4.350 -0.007 0.000 0.269 56 T C 1.625 176.272 174.700 -0.088 0.000 1.050 56 T CA 1.748 63.788 62.100 -0.099 0.000 1.137 56 T CB -0.141 68.718 68.868 -0.015 0.000 0.860 56 T HN 0.418 nan 8.240 nan 0.000 0.468 57 M N 0.454 120.036 119.600 -0.031 0.000 2.383 57 M HA 0.355 4.831 4.480 -0.007 0.000 0.247 57 M C -0.622 175.693 176.300 0.024 0.000 1.117 57 M CA 0.009 55.314 55.300 0.007 0.000 0.995 57 M CB 0.214 32.844 32.600 0.051 0.000 1.480 57 M HN 0.090 nan 8.290 nan 0.000 0.485 58 L N 0.570 121.784 121.223 -0.016 0.000 2.344 58 L HA -0.233 4.103 4.340 -0.007 0.000 0.542 58 L C 0.681 177.634 176.870 0.137 0.000 1.001 58 L CA -0.137 54.734 54.840 0.052 0.000 1.242 58 L CB -0.499 41.605 42.059 0.075 0.000 1.749 58 L HN 0.307 nan 8.230 nan 0.000 0.902 59 K N 0.812 121.332 120.400 0.201 0.000 2.097 59 K HA -0.012 4.304 4.320 -0.007 0.000 0.205 59 K C 0.930 177.641 176.600 0.185 0.000 1.050 59 K CA 1.341 57.742 56.287 0.189 0.000 0.938 59 K CB 0.042 32.660 32.500 0.195 0.000 0.718 59 K HN 0.611 nan 8.250 nan 0.000 0.442 60 S N -0.043 115.785 115.700 0.213 0.000 2.624 60 S HA 0.204 4.670 4.470 -0.007 0.000 0.263 60 S C 0.248 174.939 174.600 0.151 0.000 1.287 60 S CA -0.570 57.752 58.200 0.204 0.000 0.990 60 S CB 1.686 65.067 63.200 0.302 0.000 0.950 60 S HN 0.175 nan 8.310 nan 0.000 0.561 61 T N -0.408 114.215 114.554 0.115 0.000 2.762 61 T HA 0.652 4.998 4.350 -0.007 0.000 0.301 61 T C -1.752 172.995 174.700 0.078 0.000 1.299 61 T CA -0.483 61.685 62.100 0.113 0.000 1.005 61 T CB 1.604 70.565 68.868 0.155 0.000 1.377 61 T HN 0.662 nan 8.240 nan 0.000 0.504 62 S N 1.284 117.040 115.700 0.094 0.000 2.560 62 S HA 0.613 5.079 4.470 -0.007 0.000 0.283 62 S C -2.198 172.431 174.600 0.050 0.000 1.141 62 S CA -0.738 57.529 58.200 0.113 0.000 0.902 62 S CB 0.722 63.929 63.200 0.011 0.000 1.104 62 S HN 0.589 nan 8.310 nan 0.000 0.454 63 I N 4.594 125.132 120.570 -0.053 0.000 2.436 63 I HA 0.426 4.592 4.170 -0.007 0.000 0.289 63 I C -0.091 175.494 176.117 -0.887 0.000 1.010 63 I CA -0.481 60.510 61.300 -0.515 0.000 1.098 63 I CB 1.290 38.848 38.000 -0.737 0.000 1.266 63 I HN 0.901 nan 8.210 nan 0.000 0.434 64 H N 5.576 124.054 119.070 -0.988 0.000 2.463 64 H HA 0.470 5.022 4.556 -0.007 0.000 0.332 64 H C -1.497 173.027 175.328 -1.340 0.000 1.127 64 H CA -0.532 54.928 56.048 -0.981 0.000 1.238 64 H CB 0.962 30.453 29.762 -0.451 0.000 1.478 64 H HN 0.427 nan 8.280 nan 0.000 0.499 65 W N 4.924 125.618 121.300 -1.010 0.000 2.253 65 W HA 0.212 4.868 4.660 -0.007 0.000 0.348 65 W C -0.147 175.874 176.519 -0.829 0.000 0.920 65 W CA -0.937 55.902 57.345 -0.844 0.000 1.518 65 W CB -0.419 28.384 29.460 -1.094 0.000 1.446 65 W HN 0.681 nan 8.180 nan 0.000 0.361 66 H N 1.748 120.294 119.070 -0.873 0.000 3.107 66 H HA 0.297 4.850 4.556 -0.005 0.000 0.301 66 H C 1.433 176.837 175.328 0.125 0.000 0.981 66 H CA 2.166 57.935 56.048 -0.465 0.000 1.443 66 H CB 0.440 29.850 29.762 -0.588 0.000 1.479 66 H HN 0.779 nan 8.280 nan 0.000 0.564 67 G N 3.834 112.782 108.800 0.246 0.000 2.313 67 G HA2 -0.261 3.695 3.960 -0.007 0.000 0.215 67 G HA3 -0.261 3.695 3.960 -0.007 0.000 0.215 67 G C 0.071 175.122 174.900 0.251 0.000 1.023 67 G CA -0.064 45.238 45.100 0.336 0.000 0.626 67 G HN 0.553 nan 8.290 nan 0.000 0.503 68 F N 1.018 120.982 119.950 0.025 0.000 2.429 68 F HA 0.592 5.115 4.527 -0.007 0.000 0.348 68 F C 1.549 177.291 175.800 -0.097 0.000 1.109 68 F CA -0.904 56.966 58.000 -0.217 0.000 1.232 68 F CB 0.515 39.268 39.000 -0.413 0.000 1.157 68 F HN -0.067 nan 8.300 nan 0.000 0.564 69 F N -0.147 119.809 119.950 0.010 0.000 2.206 69 F HA -0.114 4.409 4.527 -0.007 0.000 0.298 69 F C 1.503 177.222 175.800 -0.136 0.000 1.090 69 F CA 0.526 58.430 58.000 -0.160 0.000 1.323 69 F CB -0.796 38.126 39.000 -0.130 0.000 1.028 69 F HN 0.413 nan 8.300 nan 0.000 0.492 70 Q N 0.025 119.922 119.800 0.161 0.000 2.481 70 Q HA -0.297 4.039 4.340 -0.007 0.000 0.272 70 Q C 0.159 176.296 176.000 0.228 0.000 1.157 70 Q CA 0.665 56.529 55.803 0.102 0.000 0.935 70 Q CB -2.784 25.994 28.738 0.068 0.000 1.338 70 Q HN 0.605 nan 8.270 nan 0.000 0.494 71 H N 0.191 119.358 119.070 0.163 0.000 3.157 71 H HA 0.115 4.667 4.556 -0.007 0.000 0.299 71 H C 1.564 176.978 175.328 0.142 0.000 0.961 71 H CA 2.323 58.469 56.048 0.164 0.000 1.428 71 H CB 0.143 29.986 29.762 0.134 0.000 1.459 71 H HN 0.581 nan 8.280 nan 0.000 0.566 72 G N 3.789 112.432 108.800 -0.261 0.000 2.199 72 G HA2 -0.305 3.651 3.960 -0.007 0.000 0.254 72 G HA3 -0.305 3.651 3.960 -0.007 0.000 0.254 72 G C 0.645 175.543 174.900 -0.003 0.000 0.982 72 G CA 0.594 45.603 45.100 -0.152 0.000 0.632 72 G HN 0.830 nan 8.290 nan 0.000 0.529 73 T N -2.045 112.461 114.554 -0.080 0.000 3.533 73 T HA 0.376 4.722 4.350 -0.007 0.000 0.275 73 T C 1.039 175.406 174.700 -0.554 0.000 1.000 73 T CA 0.617 62.468 62.100 -0.415 0.000 1.015 73 T CB 0.309 68.901 68.868 -0.460 0.000 1.153 73 T HN 0.219 nan 8.240 nan 0.000 0.504 74 N N 1.941 120.489 118.700 -0.253 0.000 2.247 74 N HA -0.149 4.587 4.740 -0.007 0.000 0.189 74 N C 1.594 176.914 175.510 -0.317 0.000 1.009 74 N CA 1.942 54.813 53.050 -0.299 0.000 0.872 74 N CB -0.107 38.111 38.487 -0.448 0.000 0.980 74 N HN 0.875 nan 8.380 nan 0.000 0.436 75 W N -0.139 121.023 121.300 -0.231 0.000 2.525 75 W HA 0.158 4.814 4.660 -0.006 0.000 0.259 75 W C 1.230 177.817 176.519 0.114 0.000 1.253 75 W CA 0.518 57.663 57.345 -0.335 0.000 1.262 75 W CB -0.676 28.233 29.460 -0.918 0.000 1.122 75 W HN 0.039 nan 8.180 nan 0.000 0.607 76 A N 0.683 123.165 122.820 -0.563 0.000 2.345 76 A HA 0.029 4.345 4.320 -0.007 0.000 0.225 76 A C 1.478 179.188 177.584 0.210 0.000 1.243 76 A CA 0.790 52.734 52.037 -0.155 0.000 0.875 76 A CB -0.621 17.862 19.000 -0.863 0.000 0.929 76 A HN 0.119 nan 8.150 nan 0.000 0.502 77 D N -0.464 120.006 120.400 0.117 0.000 2.117 77 D HA 0.096 4.732 4.640 -0.007 0.000 0.197 77 D C 1.633 178.095 176.300 0.271 0.000 0.987 77 D CA 2.515 56.657 54.000 0.236 0.000 0.829 77 D CB 0.072 41.047 40.800 0.292 0.000 0.961 77 D HN 0.513 nan 8.370 nan 0.000 0.460 78 G N -1.306 107.611 108.800 0.195 0.000 2.697 78 G HA2 -0.190 3.766 3.960 -0.007 0.000 0.200 78 G HA3 -0.190 3.766 3.960 -0.007 0.000 0.200 78 G C -1.970 172.887 174.900 -0.072 0.000 1.106 78 G CA -0.233 44.926 45.100 0.099 0.000 0.748 78 G HN 0.281 nan 8.290 nan 0.000 0.503 79 P HA 0.383 nan 4.420 nan 0.000 0.258 79 P C 0.307 177.445 177.300 -0.271 0.000 1.172 79 P CA 1.092 63.855 63.100 -0.562 0.000 0.762 79 P CB 0.675 31.818 31.700 -0.928 0.000 0.764 80 A N 4.617 127.362 122.820 -0.126 0.000 2.492 80 A HA 0.285 4.601 4.320 -0.007 0.000 0.254 80 A C 0.420 177.880 177.584 -0.206 0.000 1.091 80 A CA 0.043 51.882 52.037 -0.330 0.000 0.768 80 A CB -1.178 17.636 19.000 -0.310 0.000 1.028 80 A HN 0.631 nan 8.150 nan 0.000 0.498 81 F N -0.159 119.712 119.950 -0.131 0.000 2.794 81 F HA -0.261 4.261 4.527 -0.007 0.000 0.335 81 F C 1.093 176.824 175.800 -0.115 0.000 0.653 81 F CA 0.941 58.881 58.000 -0.101 0.000 1.266 81 F CB -1.999 36.976 39.000 -0.041 0.000 1.666 81 F HN 0.309 nan 8.300 nan 0.000 0.314 82 V N -1.348 118.486 119.914 -0.133 0.000 2.806 82 V HA 0.073 4.189 4.120 -0.007 0.000 0.239 82 V C 1.407 177.405 176.094 -0.161 0.000 1.113 82 V CA 1.951 64.099 62.300 -0.253 0.000 1.137 82 V CB 0.060 31.451 31.823 -0.719 0.000 0.865 82 V HN 0.356 nan 8.190 nan 0.000 0.482 83 N N -0.246 118.367 118.700 -0.145 0.000 2.332 83 N HA 0.166 4.902 4.740 -0.007 0.000 0.190 83 N C 0.296 175.979 175.510 0.289 0.000 1.117 83 N CA -0.059 52.996 53.050 0.008 0.000 0.883 83 N CB 0.606 39.049 38.487 -0.073 0.000 1.089 83 N HN 0.677 nan 8.380 nan 0.000 0.480 84 Q N -1.050 118.795 119.800 0.074 0.000 2.534 84 Q HA 0.517 4.853 4.340 -0.007 0.000 0.290 84 Q C -1.334 174.401 176.000 -0.442 0.000 0.991 84 Q CA -0.955 54.794 55.803 -0.089 0.000 0.783 84 Q CB 1.027 29.712 28.738 -0.087 0.000 1.470 84 Q HN -0.113 nan 8.270 nan 0.000 0.406 85 c N 1.990 120.217 118.600 -0.621 0.000 2.657 85 c HA 0.426 4.992 4.570 -0.007 0.000 0.404 85 c C -1.986 171.637 174.090 -0.778 0.000 1.291 85 c CA -0.436 55.422 56.329 -0.786 0.000 2.218 85 c CB -0.468 41.687 42.510 -0.591 0.000 2.687 85 c HN 0.634 nan 8.230 nan 0.000 0.634 86 P HA 0.161 nan 4.420 nan 0.000 0.269 86 P C -0.328 176.758 177.300 -0.356 0.000 1.215 86 P CA 0.015 62.766 63.100 -0.581 0.000 0.780 86 P CB 0.162 31.529 31.700 -0.554 0.000 0.898 87 I N 0.470 120.935 120.570 -0.174 0.000 2.775 87 I HA -0.030 4.136 4.170 -0.007 0.000 0.290 87 I C 0.804 176.947 176.117 0.043 0.000 1.203 87 I CA 0.784 62.050 61.300 -0.056 0.000 1.433 87 I CB -0.207 37.861 38.000 0.113 0.000 1.354 87 I HN 0.264 nan 8.210 nan 0.000 0.579 88 S N 3.637 119.356 115.700 0.032 0.000 2.578 88 S HA 0.195 4.661 4.470 -0.007 0.000 0.283 88 S C 0.200 174.923 174.600 0.206 0.000 1.195 88 S CA -0.502 57.749 58.200 0.085 0.000 1.050 88 S CB 1.609 64.741 63.200 -0.113 0.000 1.012 88 S HN 0.727 nan 8.310 nan 0.000 0.511 89 T N 1.146 115.827 114.554 0.213 0.000 2.901 89 T HA 0.438 4.784 4.350 -0.007 0.000 0.301 89 T C 1.273 176.129 174.700 0.261 0.000 1.012 89 T CA 1.056 63.284 62.100 0.213 0.000 1.135 89 T CB -0.224 68.740 68.868 0.160 0.000 0.936 89 T HN 1.100 nan 8.240 nan 0.000 0.539 90 G N 3.424 112.332 108.800 0.179 0.000 2.157 90 G HA2 -0.152 3.804 3.960 -0.007 0.000 0.248 90 G HA3 -0.152 3.804 3.960 -0.007 0.000 0.248 90 G C 0.111 174.958 174.900 -0.088 0.000 0.979 90 G CA 0.259 45.393 45.100 0.057 0.000 0.650 90 G HN 0.877 nan 8.290 nan 0.000 0.529 91 H N -0.251 118.870 119.070 0.084 0.000 2.771 91 H HA 0.753 5.305 4.556 -0.007 0.000 0.367 91 H C 0.250 175.651 175.328 0.122 0.000 1.172 91 H CA -0.066 56.036 56.048 0.090 0.000 1.186 91 H CB 2.107 31.917 29.762 0.080 0.000 1.790 91 H HN 0.521 nan 8.280 nan 0.000 0.556 92 A N 1.265 124.230 122.820 0.242 0.000 2.322 92 A HA 0.666 4.982 4.320 -0.007 0.000 0.327 92 A C -1.676 176.099 177.584 0.319 0.000 1.134 92 A CA -0.507 51.672 52.037 0.235 0.000 0.831 92 A CB 1.436 20.529 19.000 0.156 0.000 1.288 92 A HN 0.495 nan 8.150 nan 0.000 0.472 93 F N 0.609 120.626 119.950 0.110 0.000 2.651 93 F HA 0.501 5.023 4.527 -0.007 0.000 0.329 93 F C -1.882 173.948 175.800 0.050 0.000 1.186 93 F CA -0.854 57.173 58.000 0.045 0.000 1.046 93 F CB 1.534 40.526 39.000 -0.015 0.000 1.296 93 F HN 0.512 nan 8.300 nan 0.000 0.497 94 L N 7.450 128.226 121.223 -0.745 0.000 2.257 94 L HA 0.493 4.829 4.340 -0.007 0.000 0.290 94 L C -1.691 174.788 176.870 -0.651 0.000 1.044 94 L CA -0.322 54.238 54.840 -0.467 0.000 0.810 94 L CB 0.291 42.213 42.059 -0.229 0.000 1.193 94 L HN 0.527 nan 8.230 nan 0.000 0.425 95 Y N 3.748 123.921 120.300 -0.210 0.000 2.425 95 Y HA 0.337 4.884 4.550 -0.006 0.000 0.347 95 Y C 0.087 175.939 175.900 -0.079 0.000 0.976 95 Y CA -0.270 57.824 58.100 -0.010 0.000 1.190 95 Y CB 0.632 39.196 38.460 0.173 0.000 1.136 95 Y HN 0.525 nan 8.280 nan 0.000 0.517 96 D N 5.777 126.291 120.400 0.190 0.000 2.453 96 D HA 0.307 4.943 4.640 -0.007 0.000 0.238 96 D C -1.202 175.161 176.300 0.106 0.000 1.088 96 D CA -0.243 53.796 54.000 0.065 0.000 0.854 96 D CB 0.271 41.174 40.800 0.173 0.000 1.076 96 D HN 0.323 nan 8.370 nan 0.000 0.533 97 F N 0.394 120.264 119.950 -0.133 0.000 2.685 97 F HA 0.555 5.077 4.527 -0.007 0.000 0.315 97 F C -1.136 174.632 175.800 -0.053 0.000 1.126 97 F CA -1.023 56.892 58.000 -0.142 0.000 0.950 97 F CB 0.984 39.801 39.000 -0.305 0.000 1.360 97 F HN 0.001 nan 8.300 nan 0.000 0.469 98 Q N 0.981 120.913 119.800 0.220 0.000 2.348 98 Q HA 0.663 4.999 4.340 -0.007 0.000 0.271 98 Q C -1.039 175.131 176.000 0.283 0.000 1.067 98 Q CA -1.426 54.482 55.803 0.175 0.000 0.839 98 Q CB 3.158 31.966 28.738 0.116 0.000 1.354 98 Q HN 0.803 nan 8.270 nan 0.000 0.447 99 V N -1.514 118.544 119.914 0.240 0.000 2.271 99 V HA 0.392 4.508 4.120 -0.007 0.000 0.259 99 V C -2.505 173.639 176.094 0.084 0.000 1.030 99 V CA -1.967 60.437 62.300 0.173 0.000 0.957 99 V CB -0.110 31.809 31.823 0.161 0.000 1.186 99 V HN 0.566 nan 8.190 nan 0.000 0.471 100 P HA 0.255 nan 4.420 nan 0.000 0.277 100 P C 0.416 177.737 177.300 0.036 0.000 1.276 100 P CA 0.878 64.013 63.100 0.057 0.000 0.788 100 P CB 0.868 32.610 31.700 0.070 0.000 1.114 101 D N -3.683 116.734 120.400 0.029 0.000 3.041 101 D HA -0.247 4.389 4.640 -0.007 0.000 0.214 101 D C -0.615 175.674 176.300 -0.019 0.000 1.153 101 D CA 1.585 55.602 54.000 0.028 0.000 0.972 101 D CB -1.848 38.998 40.800 0.078 0.000 1.126 101 D HN 0.627 nan 8.370 nan 0.000 0.400 102 Q N -0.050 119.703 119.800 -0.077 0.000 2.387 102 Q HA 0.853 5.189 4.340 -0.007 0.000 0.273 102 Q C -0.760 175.218 176.000 -0.037 0.000 1.089 102 Q CA -0.490 55.237 55.803 -0.126 0.000 0.824 102 Q CB 2.591 31.139 28.738 -0.317 0.000 1.367 102 Q HN 0.431 nan 8.270 nan 0.000 0.443 103 A N 0.375 123.213 122.820 0.030 0.000 2.594 103 A HA 0.931 5.247 4.320 -0.007 0.000 0.296 103 A C -0.605 177.031 177.584 0.087 0.000 1.061 103 A CA 0.158 52.252 52.037 0.094 0.000 0.689 103 A CB 1.788 20.815 19.000 0.046 0.000 1.280 103 A HN 0.907 nan 8.150 nan 0.000 0.406 104 G N -0.529 108.345 108.800 0.123 0.000 2.334 104 G HA2 0.518 4.474 3.960 -0.007 0.000 0.249 104 G HA3 0.518 4.474 3.960 -0.007 0.000 0.249 104 G C -0.748 174.062 174.900 -0.151 0.000 1.327 104 G CA 0.166 45.192 45.100 -0.124 0.000 0.979 104 G HN 1.344 nan 8.290 nan 0.000 0.471 105 T N 0.905 115.224 114.554 -0.392 0.000 2.771 105 T HA 0.747 5.093 4.350 -0.007 0.000 0.281 105 T C -1.003 173.414 174.700 -0.473 0.000 0.982 105 T CA 0.124 62.064 62.100 -0.268 0.000 0.978 105 T CB 0.999 69.746 68.868 -0.202 0.000 0.930 105 T HN 0.430 nan 8.240 nan 0.000 0.447 106 F N 1.372 121.317 119.950 -0.008 0.000 2.706 106 F HA 0.812 5.336 4.527 -0.006 0.000 0.328 106 F C -0.981 175.012 175.800 0.320 0.000 1.123 106 F CA -1.002 57.070 58.000 0.121 0.000 0.978 106 F CB 1.894 40.946 39.000 0.086 0.000 1.404 106 F HN 0.657 nan 8.300 nan 0.000 0.497 107 W N 0.900 122.372 121.300 0.286 0.000 3.005 107 W HA 0.590 5.249 4.660 -0.002 0.000 0.343 107 W C -2.519 174.142 176.519 0.237 0.000 1.243 107 W CA -1.861 55.598 57.345 0.189 0.000 1.186 107 W CB 0.350 29.788 29.460 -0.037 0.000 1.453 107 W HN 0.638 nan 8.180 nan 0.000 0.575 108 Y N 0.551 120.830 120.300 -0.035 0.000 2.536 108 Y HA 0.811 5.357 4.550 -0.005 0.000 0.347 108 Y C -0.802 174.833 175.900 -0.442 0.000 1.000 108 Y CA -1.176 56.635 58.100 -0.483 0.000 1.051 108 Y CB 1.825 40.035 38.460 -0.417 0.000 1.259 108 Y HN 0.709 nan 8.280 nan 0.000 0.468 109 H N -1.261 117.456 119.070 -0.589 0.000 3.037 109 H HA 0.474 5.027 4.556 -0.006 0.000 0.336 109 H C -1.193 173.985 175.328 -0.250 0.000 1.323 109 H CA -1.099 54.661 56.048 -0.480 0.000 1.159 109 H CB 0.947 30.161 29.762 -0.914 0.000 1.882 109 H HN 0.777 nan 8.280 nan 0.000 0.535 110 S N 0.073 115.847 115.700 0.123 0.000 2.560 110 S HA -0.027 4.439 4.470 -0.007 0.000 0.284 110 S C 0.015 174.744 174.600 0.215 0.000 1.327 110 S CA -0.214 58.069 58.200 0.138 0.000 1.055 110 S CB -0.010 63.312 63.200 0.202 0.000 0.868 110 S HN 0.822 nan 8.310 nan 0.000 0.506 111 H N 3.616 122.727 119.070 0.068 0.000 2.467 111 H HA 0.367 4.919 4.556 -0.006 0.000 0.275 111 H C -0.842 174.531 175.328 0.075 0.000 1.131 111 H CA -0.327 55.781 56.048 0.100 0.000 0.989 111 H CB 0.197 29.973 29.762 0.023 0.000 1.696 111 H HN 0.474 nan 8.280 nan 0.000 0.574 112 L N 0.615 121.945 121.223 0.178 0.000 2.325 112 L HA 0.344 4.680 4.340 -0.007 0.000 0.281 112 L C 0.784 177.735 176.870 0.134 0.000 1.004 112 L CA 0.379 55.306 54.840 0.146 0.000 0.823 112 L CB 1.419 43.530 42.059 0.088 0.000 1.236 112 L HN 0.217 nan 8.230 nan 0.000 0.415 113 S N 3.197 118.992 115.700 0.159 0.000 4.046 113 S HA -0.316 4.150 4.470 -0.007 0.000 0.572 113 S C 0.866 175.478 174.600 0.020 0.000 2.022 113 S CA 2.126 60.392 58.200 0.109 0.000 4.201 113 S CB -1.451 61.812 63.200 0.106 0.000 0.438 113 S HN 1.417 nan 8.310 nan 0.000 0.618 114 T N 0.055 114.597 114.554 -0.021 0.000 3.293 114 T HA 0.452 4.798 4.350 -0.007 0.000 0.276 114 T C 0.942 175.569 174.700 -0.121 0.000 1.003 114 T CA 0.669 62.680 62.100 -0.148 0.000 0.916 114 T CB 0.604 69.391 68.868 -0.136 0.000 1.134 114 T HN 0.672 nan 8.240 nan 0.000 0.530 115 Q N 1.016 120.815 119.800 -0.003 0.000 2.297 115 Q HA -0.137 4.199 4.340 -0.007 0.000 0.204 115 Q C 1.889 177.959 176.000 0.117 0.000 0.962 115 Q CA 1.062 56.900 55.803 0.059 0.000 0.879 115 Q CB -0.421 28.378 28.738 0.102 0.000 0.947 115 Q HN 0.833 nan 8.270 nan 0.000 0.462 116 Y N -0.545 119.786 120.300 0.051 0.000 2.256 116 Y HA -0.194 4.351 4.550 -0.008 0.000 0.288 116 Y C 1.981 177.963 175.900 0.138 0.000 1.155 116 Y CA 1.095 59.258 58.100 0.105 0.000 1.203 116 Y CB -1.055 37.470 38.460 0.107 0.000 0.980 116 Y HN 0.193 nan 8.280 nan 0.000 0.530 117 c N 0.966 119.439 118.600 -0.212 0.000 2.419 117 c HA -0.153 4.413 4.570 -0.007 0.000 0.281 117 c C 1.850 175.973 174.090 0.055 0.000 1.336 117 c CA 1.008 57.267 56.329 -0.116 0.000 1.770 117 c CB -0.973 41.372 42.510 -0.275 0.000 1.929 117 c HN 0.564 nan 8.230 nan 0.000 0.509 118 D N -0.094 120.349 120.400 0.071 0.000 2.363 118 D HA 0.200 4.836 4.640 -0.007 0.000 0.226 118 D C 1.746 178.247 176.300 0.336 0.000 1.020 118 D CA 1.263 55.330 54.000 0.112 0.000 0.892 118 D CB -0.035 40.813 40.800 0.079 0.000 0.900 118 D HN 0.679 nan 8.370 nan 0.000 0.531 119 G N 0.364 109.441 108.800 0.462 0.000 2.318 119 G HA2 -0.200 3.756 3.960 -0.007 0.000 0.172 119 G HA3 -0.200 3.756 3.960 -0.007 0.000 0.172 119 G C 0.262 175.445 174.900 0.471 0.000 1.002 119 G CA -0.445 45.080 45.100 0.708 0.000 0.697 119 G HN 0.338 nan 8.290 nan 0.000 0.483 120 L N 2.417 123.851 121.223 0.352 0.000 2.384 120 L HA 0.574 4.909 4.340 -0.007 0.000 0.258 120 L C 0.496 177.475 176.870 0.181 0.000 1.266 120 L CA -0.402 54.590 54.840 0.253 0.000 1.162 120 L CB -0.501 41.698 42.059 0.233 0.000 1.375 120 L HN 0.424 nan 8.230 nan 0.000 0.420 121 R N 2.090 122.632 120.500 0.071 0.000 2.522 121 R HA 0.771 5.107 4.340 -0.007 0.000 0.273 121 R C -0.959 175.184 176.300 -0.262 0.000 1.133 121 R CA -0.879 55.198 56.100 -0.038 0.000 0.969 121 R CB 1.200 31.711 30.300 0.353 0.000 1.235 121 R HN 0.300 nan 8.270 nan 0.000 0.433 122 G N 1.864 110.266 108.800 -0.663 0.000 2.684 122 G HA2 0.712 4.668 3.960 -0.007 0.000 0.290 122 G HA3 0.712 4.668 3.960 -0.007 0.000 0.290 122 G C -3.133 171.727 174.900 -0.067 0.000 1.425 122 G CA -1.625 43.232 45.100 -0.405 0.000 0.822 122 G HN 0.395 nan 8.290 nan 0.000 0.482 123 P HA 0.593 nan 4.420 nan 0.000 0.284 123 P C -0.763 176.758 177.300 0.368 0.000 1.258 123 P CA -0.483 62.762 63.100 0.241 0.000 0.824 123 P CB 2.031 33.789 31.700 0.097 0.000 1.038 124 I N 1.130 121.934 120.570 0.391 0.000 2.569 124 I HA 0.431 4.597 4.170 -0.007 0.000 0.296 124 I C -0.476 175.801 176.117 0.267 0.000 1.028 124 I CA -1.172 60.346 61.300 0.363 0.000 1.082 124 I CB 2.454 40.718 38.000 0.441 0.000 1.264 124 I HN -0.010 nan 8.210 nan 0.000 0.429 125 V N 6.111 126.110 119.914 0.141 0.000 2.531 125 V HA 0.400 4.516 4.120 -0.007 0.000 0.301 125 V C -0.425 175.579 176.094 -0.150 0.000 1.034 125 V CA -0.705 61.554 62.300 -0.067 0.000 0.865 125 V CB 2.219 33.845 31.823 -0.329 0.000 0.995 125 V HN 0.387 nan 8.190 nan 0.000 0.424 126 V N 5.303 125.164 119.914 -0.089 0.000 2.313 126 V HA 0.426 4.542 4.120 -0.007 0.000 0.278 126 V C -0.697 175.322 176.094 -0.125 0.000 1.017 126 V CA -0.727 61.550 62.300 -0.039 0.000 0.823 126 V CB 0.852 32.690 31.823 0.025 0.000 1.010 126 V HN 0.731 nan 8.190 nan 0.000 0.443 127 Y N 2.118 122.478 120.300 0.100 0.000 2.304 127 Y HA 0.334 4.879 4.550 -0.007 0.000 0.327 127 Y C 0.704 176.636 175.900 0.053 0.000 1.209 127 Y CA -0.171 57.971 58.100 0.071 0.000 1.299 127 Y CB 0.761 39.252 38.460 0.052 0.000 1.249 127 Y HN 0.509 nan 8.280 nan 0.000 0.519 128 D N 4.514 125.035 120.400 0.201 0.000 2.373 128 D HA 0.178 4.814 4.640 -0.007 0.000 0.227 128 D C -1.811 174.550 176.300 0.102 0.000 1.091 128 D CA -2.413 51.656 54.000 0.115 0.000 0.840 128 D CB 1.654 42.495 40.800 0.067 0.000 1.060 128 D HN 0.273 nan 8.370 nan 0.000 0.502 129 P HA -0.086 nan 4.420 nan 0.000 0.228 129 P C 0.392 177.701 177.300 0.014 0.000 1.151 129 P CA 0.629 63.750 63.100 0.035 0.000 0.770 129 P CB 0.565 32.275 31.700 0.017 0.000 0.786 130 Q N 0.158 119.966 119.800 0.014 0.000 2.241 130 Q HA 0.135 4.471 4.340 -0.007 0.000 0.296 130 Q C -0.079 175.913 176.000 -0.013 0.000 0.889 130 Q CA -0.315 55.484 55.803 -0.006 0.000 1.089 130 Q CB -0.575 28.156 28.738 -0.012 0.000 1.195 130 Q HN 0.243 nan 8.270 nan 0.000 0.451 131 D N 2.418 122.823 120.400 0.009 0.000 2.451 131 D HA -0.028 4.608 4.640 -0.007 0.000 0.254 131 D C -1.299 174.971 176.300 -0.050 0.000 1.204 131 D CA -1.095 52.908 54.000 0.005 0.000 0.896 131 D CB 1.315 42.171 40.800 0.094 0.000 1.136 131 D HN 0.076 nan 8.370 nan 0.000 0.499 132 P HA -0.138 nan 4.420 nan 0.000 0.223 132 P C 0.565 177.778 177.300 -0.145 0.000 1.144 132 P CA 0.987 63.985 63.100 -0.171 0.000 0.783 132 P CB 0.249 31.795 31.700 -0.256 0.000 0.771 133 H N -1.029 118.054 119.070 0.021 0.000 2.551 133 H HA 0.141 4.694 4.556 -0.005 0.000 0.271 133 H C 1.874 177.136 175.328 -0.111 0.000 0.984 133 H CA 0.163 56.229 56.048 0.030 0.000 1.164 133 H CB 0.134 29.980 29.762 0.140 0.000 1.437 133 H HN 0.038 nan 8.280 nan 0.000 0.550 134 K N 1.302 121.640 120.400 -0.103 0.000 2.103 134 K HA -0.056 4.260 4.320 -0.007 0.000 0.207 134 K C 1.675 177.918 176.600 -0.596 0.000 1.048 134 K CA 1.246 57.275 56.287 -0.430 0.000 0.930 134 K CB -0.153 32.235 32.500 -0.187 0.000 0.716 134 K HN -0.036 nan 8.250 nan 0.000 0.444 135 S N 0.240 115.763 115.700 -0.296 0.000 2.603 135 S HA 0.155 4.621 4.470 -0.007 0.000 0.220 135 S C 1.178 175.655 174.600 -0.206 0.000 0.967 135 S CA 0.077 58.137 58.200 -0.234 0.000 0.920 135 S CB -0.108 63.018 63.200 -0.124 0.000 0.773 135 S HN 0.247 nan 8.310 nan 0.000 0.529 136 L N 0.831 121.917 121.223 -0.228 0.000 2.554 136 L HA 0.142 4.478 4.340 -0.007 0.000 0.226 136 L C 0.109 176.964 176.870 -0.024 0.000 1.137 136 L CA 0.315 55.108 54.840 -0.077 0.000 0.863 136 L CB -0.150 41.943 42.059 0.057 0.000 0.985 136 L HN 0.480 nan 8.230 nan 0.000 0.451 137 Y N -5.447 114.828 120.300 -0.041 0.000 2.638 137 Y HA 0.392 4.939 4.550 -0.006 0.000 0.335 137 Y C -0.055 175.763 175.900 -0.138 0.000 1.155 137 Y CA -1.284 56.758 58.100 -0.098 0.000 1.046 137 Y CB 0.580 38.975 38.460 -0.108 0.000 1.303 137 Y HN -0.228 nan 8.280 nan 0.000 0.460 138 D N 0.549 120.950 120.400 0.002 0.000 2.324 138 D HA 0.137 4.773 4.640 -0.007 0.000 0.212 138 D C -0.244 176.012 176.300 -0.074 0.000 0.984 138 D CA 0.917 54.860 54.000 -0.095 0.000 0.885 138 D CB 1.162 41.837 40.800 -0.208 0.000 0.996 138 D HN 0.257 nan 8.370 nan 0.000 0.505 139 V N 1.382 121.199 119.914 -0.162 0.000 2.495 139 V HA 0.379 4.495 4.120 -0.007 0.000 0.298 139 V C -0.925 175.072 176.094 -0.161 0.000 1.031 139 V CA -0.695 61.504 62.300 -0.168 0.000 0.871 139 V CB 2.252 33.920 31.823 -0.258 0.000 0.988 139 V HN -0.095 nan 8.190 nan 0.000 0.432 140 D N 2.812 123.151 120.400 -0.102 0.000 2.527 140 D HA 0.394 5.030 4.640 -0.007 0.000 0.242 140 D C -0.872 175.408 176.300 -0.033 0.000 1.285 140 D CA -0.284 53.644 54.000 -0.121 0.000 0.886 140 D CB 0.889 41.660 40.800 -0.048 0.000 1.402 140 D HN 0.737 nan 8.370 nan 0.000 0.528 141 D N -0.319 120.070 120.400 -0.018 0.000 2.904 141 D HA 0.304 4.939 4.640 -0.007 0.000 0.290 141 D C 0.661 177.013 176.300 0.085 0.000 1.180 141 D CA -0.464 53.553 54.000 0.028 0.000 1.065 141 D CB 0.213 41.005 40.800 -0.015 0.000 1.386 141 D HN -0.188 nan 8.370 nan 0.000 0.599 142 D N -0.644 119.808 120.400 0.086 0.000 2.182 142 D HA -0.129 4.507 4.640 -0.007 0.000 0.201 142 D C 1.863 178.205 176.300 0.070 0.000 0.986 142 D CA 2.099 56.153 54.000 0.089 0.000 0.847 142 D CB -0.381 40.464 40.800 0.075 0.000 0.942 142 D HN 0.382 nan 8.370 nan 0.000 0.467 143 S N -0.528 115.207 115.700 0.058 0.000 2.481 143 S HA -0.096 4.370 4.470 -0.007 0.000 0.231 143 S C 1.771 176.441 174.600 0.117 0.000 0.996 143 S CA 1.258 59.501 58.200 0.071 0.000 0.942 143 S CB -0.576 62.661 63.200 0.061 0.000 0.768 143 S HN 0.313 nan 8.310 nan 0.000 0.520 144 T N -0.329 114.262 114.554 0.061 0.000 3.163 144 T HA 0.394 4.740 4.350 -0.007 0.000 0.252 144 T C 0.190 174.979 174.700 0.149 0.000 1.056 144 T CA -0.414 61.718 62.100 0.054 0.000 0.947 144 T CB -0.314 68.297 68.868 -0.428 0.000 1.016 144 T HN 0.137 nan 8.240 nan 0.000 0.554 145 V N 2.179 122.152 119.914 0.097 0.000 2.465 145 V HA 0.496 4.612 4.120 -0.007 0.000 0.279 145 V C -0.018 176.095 176.094 0.032 0.000 1.045 145 V CA -0.846 61.480 62.300 0.043 0.000 0.938 145 V CB 1.213 33.055 31.823 0.033 0.000 0.986 145 V HN 0.477 nan 8.190 nan 0.000 0.467 146 I N 4.563 125.115 120.570 -0.030 0.000 2.468 146 I HA 0.348 4.514 4.170 -0.007 0.000 0.284 146 I C 0.116 176.155 176.117 -0.129 0.000 1.038 146 I CA -0.272 60.985 61.300 -0.071 0.000 1.083 146 I CB 2.170 40.103 38.000 -0.110 0.000 1.223 146 I HN 0.714 nan 8.210 nan 0.000 0.443 147 T N 5.065 119.546 114.554 -0.121 0.000 2.902 147 T HA 0.772 5.118 4.350 -0.007 0.000 0.283 147 T C -0.536 174.058 174.700 -0.177 0.000 1.009 147 T CA -0.682 61.312 62.100 -0.177 0.000 1.051 147 T CB 1.588 70.353 68.868 -0.171 0.000 0.999 147 T HN 0.331 nan 8.240 nan 0.000 0.474 148 L N 1.929 123.005 121.223 -0.246 0.000 2.334 148 L HA 0.839 5.175 4.340 -0.007 0.000 0.276 148 L C -0.024 176.697 176.870 -0.249 0.000 1.014 148 L CA -1.184 53.486 54.840 -0.284 0.000 0.815 148 L CB 1.831 43.630 42.059 -0.433 0.000 1.268 148 L HN 1.027 nan 8.230 nan 0.000 0.428 149 A N 1.414 124.138 122.820 -0.160 0.000 2.547 149 A HA 0.594 4.910 4.320 -0.007 0.000 0.297 149 A C -1.591 176.052 177.584 0.099 0.000 1.056 149 A CA -0.801 51.240 52.037 0.007 0.000 0.688 149 A CB 1.415 20.472 19.000 0.094 0.000 1.282 149 A HN 0.713 nan 8.150 nan 0.000 0.400 150 D N 1.184 121.687 120.400 0.172 0.000 2.302 150 D HA 0.320 4.956 4.640 -0.007 0.000 0.248 150 D C -0.459 175.905 176.300 0.107 0.000 1.094 150 D CA -0.205 53.843 54.000 0.081 0.000 0.897 150 D CB 1.170 41.989 40.800 0.031 0.000 1.200 150 D HN 0.583 nan 8.370 nan 0.000 0.429 151 W N 2.188 123.280 121.300 -0.346 0.000 2.883 151 W HA 0.389 5.044 4.660 -0.010 0.000 0.335 151 W C -1.954 174.279 176.519 -0.477 0.000 1.083 151 W CA -0.866 56.342 57.345 -0.228 0.000 1.233 151 W CB 1.753 31.209 29.460 -0.007 0.000 1.412 151 W HN 0.327 nan 8.180 nan 0.000 0.490 152 Y N 2.828 122.710 120.300 -0.697 0.000 2.425 152 Y HA 0.241 4.789 4.550 -0.003 0.000 0.344 152 Y C 1.189 176.846 175.900 -0.404 0.000 0.969 152 Y CA -0.737 57.073 58.100 -0.482 0.000 1.052 152 Y CB 1.677 39.925 38.460 -0.354 0.000 1.215 152 Y HN 0.459 nan 8.280 nan 0.000 0.451 153 H N 1.252 120.265 119.070 -0.096 0.000 2.462 153 H HA 0.124 4.676 4.556 -0.006 0.000 0.292 153 H C -0.220 175.131 175.328 0.038 0.000 1.049 153 H CA 0.356 56.381 56.048 -0.039 0.000 1.334 153 H CB 0.427 29.984 29.762 -0.341 0.000 1.404 153 H HN 0.312 nan 8.280 nan 0.000 0.544 154 L N 0.926 122.204 121.223 0.091 0.000 2.322 154 L HA 0.451 4.786 4.340 -0.007 0.000 0.279 154 L C 0.341 177.181 176.870 -0.051 0.000 1.036 154 L CA -1.061 53.797 54.840 0.030 0.000 0.807 154 L CB 1.493 43.548 42.059 -0.006 0.000 1.226 154 L HN 0.103 nan 8.230 nan 0.000 0.433 155 A N 1.820 124.609 122.820 -0.051 0.000 2.346 155 A HA 0.489 4.805 4.320 -0.007 0.000 0.252 155 A C 1.222 178.729 177.584 -0.129 0.000 1.089 155 A CA 0.452 52.433 52.037 -0.094 0.000 0.797 155 A CB 0.489 19.463 19.000 -0.043 0.000 1.047 155 A HN 0.950 nan 8.150 nan 0.000 0.494 156 A N 0.360 123.101 122.820 -0.131 0.000 1.940 156 A HA -0.146 4.170 4.320 -0.007 0.000 0.219 156 A C 1.791 179.327 177.584 -0.080 0.000 1.176 156 A CA 1.966 53.937 52.037 -0.110 0.000 0.631 156 A CB -0.437 18.550 19.000 -0.023 0.000 0.814 156 A HN 0.789 nan 8.150 nan 0.000 0.446 157 K N -0.880 119.486 120.400 -0.056 0.000 2.426 157 K HA 0.205 4.521 4.320 -0.007 0.000 0.193 157 K C 1.383 177.955 176.600 -0.047 0.000 1.028 157 K CA 0.500 56.761 56.287 -0.044 0.000 1.047 157 K CB 0.222 32.699 32.500 -0.039 0.000 0.821 157 K HN 0.282 nan 8.250 nan 0.000 0.513 158 V N 0.784 120.665 119.914 -0.055 0.000 2.825 158 V HA 0.050 4.166 4.120 -0.007 0.000 0.246 158 V C 1.211 177.272 176.094 -0.055 0.000 1.068 158 V CA 1.115 63.391 62.300 -0.040 0.000 1.088 158 V CB 0.464 32.277 31.823 -0.017 0.000 0.733 158 V HN 0.355 nan 8.190 nan 0.000 0.468 159 G N -0.449 108.294 108.800 -0.094 0.000 2.630 159 G HA2 0.303 4.259 3.960 -0.007 0.000 0.223 159 G HA3 0.303 4.259 3.960 -0.007 0.000 0.223 159 G C -0.115 174.702 174.900 -0.138 0.000 1.434 159 G CA 0.086 45.119 45.100 -0.111 0.000 1.057 159 G HN 0.382 nan 8.290 nan 0.000 0.570 160 S N 1.634 117.232 115.700 -0.169 0.000 2.568 160 S HA 0.156 4.622 4.470 -0.007 0.000 0.282 160 S C -1.250 173.202 174.600 -0.246 0.000 1.338 160 S CA -0.552 57.542 58.200 -0.178 0.000 1.045 160 S CB 1.402 64.496 63.200 -0.176 0.000 0.873 160 S HN 0.460 nan 8.310 nan 0.000 0.516 161 P HA -0.074 nan 4.420 nan 0.000 0.217 161 P C -0.074 177.070 177.300 -0.259 0.000 1.148 161 P CA 1.038 64.063 63.100 -0.125 0.000 0.828 161 P CB -0.100 31.596 31.700 -0.007 0.000 0.783 162 V N 1.683 121.426 119.914 -0.286 0.000 2.327 162 V HA 0.298 4.414 4.120 -0.007 0.000 0.272 162 V C -2.139 173.692 176.094 -0.438 0.000 1.019 162 V CA -1.589 60.455 62.300 -0.428 0.000 0.814 162 V CB 1.140 32.920 31.823 -0.072 0.000 1.040 162 V HN 0.058 nan 8.190 nan 0.000 0.440 163 P HA 0.188 nan 4.420 nan 0.000 0.310 163 P C -1.961 175.268 177.300 -0.118 0.000 1.309 163 P CA -0.654 62.229 63.100 -0.362 0.000 0.769 163 P CB 1.580 33.007 31.700 -0.455 0.000 1.327 164 T N -3.369 111.207 114.554 0.037 0.000 2.879 164 T HA 0.119 nan 4.350 nan 0.000 0.290 164 T C 0.154 174.853 174.700 -0.003 0.000 0.993 164 T CA -0.950 61.182 62.100 0.052 0.000 0.975 164 T CB 0.433 69.273 68.868 -0.047 0.000 0.981 164 T HN -0.001 8.297 8.240 0.095 0.000 0.439 165 A N 3.541 126.236 122.820 -0.209 0.000 2.520 165 A HA 0.287 4.603 4.320 -0.007 0.000 0.235 165 A C 1.108 178.470 177.584 -0.369 0.000 1.065 165 A CA -0.027 51.645 52.037 -0.608 0.000 0.764 165 A CB -0.303 18.352 19.000 -0.575 0.000 1.002 165 A HN 0.908 nan 8.150 nan 0.000 0.502 166 D N 0.319 120.453 120.400 -0.443 0.000 2.301 166 D HA 0.300 4.936 4.640 -0.007 0.000 0.206 166 D C 0.690 176.837 176.300 -0.256 0.000 0.979 166 D CA 1.558 55.298 54.000 -0.432 0.000 0.874 166 D CB 0.341 40.563 40.800 -0.963 0.000 0.968 166 D HN 0.691 nan 8.370 nan 0.000 0.510 167 A N -0.135 122.585 122.820 -0.166 0.000 2.566 167 A HA 0.607 4.923 4.320 -0.007 0.000 0.292 167 A C -0.717 176.864 177.584 -0.005 0.000 1.112 167 A CA -0.492 51.526 52.037 -0.033 0.000 0.707 167 A CB 1.730 20.774 19.000 0.075 0.000 1.302 167 A HN -0.110 nan 8.150 nan 0.000 0.409 168 T N 1.519 116.086 114.554 0.022 0.000 2.824 168 T HA 0.589 4.935 4.350 -0.007 0.000 0.280 168 T C -0.516 174.204 174.700 0.033 0.000 0.995 168 T CA -0.157 61.969 62.100 0.043 0.000 1.009 168 T CB 0.514 69.410 68.868 0.047 0.000 0.955 168 T HN 0.430 nan 8.240 nan 0.000 0.452 169 L N 4.025 125.265 121.223 0.028 0.000 2.307 169 L HA 0.619 4.955 4.340 -0.007 0.000 0.284 169 L C -0.470 176.376 176.870 -0.039 0.000 1.023 169 L CA -0.868 53.976 54.840 0.007 0.000 0.810 169 L CB 1.169 43.241 42.059 0.022 0.000 1.231 169 L HN 0.490 nan 8.230 nan 0.000 0.423 170 I N 3.583 124.140 120.570 -0.022 0.000 2.389 170 I HA 0.295 4.461 4.170 -0.007 0.000 0.288 170 I C -0.002 176.100 176.117 -0.025 0.000 0.999 170 I CA -0.629 60.658 61.300 -0.022 0.000 1.129 170 I CB 1.457 39.471 38.000 0.024 0.000 1.288 170 I HN 0.633 nan 8.210 nan 0.000 0.444 171 N N 4.992 123.664 118.700 -0.047 0.000 2.696 171 N HA -0.230 4.506 4.740 -0.007 0.000 0.249 171 N C 0.938 176.411 175.510 -0.063 0.000 1.090 171 N CA 1.469 54.488 53.050 -0.052 0.000 0.716 171 N CB -0.796 37.675 38.487 -0.026 0.000 1.020 171 N HN 1.192 nan 8.380 nan 0.000 0.548 172 G N -2.173 106.579 108.800 -0.080 0.000 2.234 172 G HA2 -0.286 3.670 3.960 -0.007 0.000 0.235 172 G HA3 -0.286 3.670 3.960 -0.007 0.000 0.235 172 G C -0.103 174.786 174.900 -0.017 0.000 0.997 172 G CA 0.374 45.425 45.100 -0.081 0.000 0.623 172 G HN 0.380 nan 8.290 nan 0.000 0.514 173 L N 0.067 121.284 121.223 -0.011 0.000 2.354 173 L HA 0.844 5.180 4.340 -0.007 0.000 0.269 173 L C 0.627 177.507 176.870 0.018 0.000 1.005 173 L CA -0.329 54.514 54.840 0.005 0.000 0.819 173 L CB 2.162 44.231 42.059 0.017 0.000 1.311 173 L HN 0.668 nan 8.230 nan 0.000 0.423 174 G N 1.337 110.155 108.800 0.029 0.000 2.322 174 G HA2 0.382 4.338 3.960 -0.007 0.000 0.295 174 G HA3 0.382 4.338 3.960 -0.007 0.000 0.295 174 G C -1.977 172.957 174.900 0.056 0.000 1.369 174 G CA -0.941 44.187 45.100 0.045 0.000 0.821 174 G HN 0.410 nan 8.290 nan 0.000 0.536 175 R N -0.112 120.420 120.500 0.054 0.000 2.637 175 R HA 0.712 5.048 4.340 -0.007 0.000 0.291 175 R C 0.267 176.594 176.300 0.045 0.000 0.963 175 R CA -0.502 55.633 56.100 0.059 0.000 0.901 175 R CB 2.011 32.341 30.300 0.050 0.000 1.160 175 R HN 0.780 nan 8.270 nan 0.000 0.457 176 S N 1.591 117.333 115.700 0.070 0.000 2.730 176 S HA 0.255 4.721 4.470 -0.007 0.000 0.284 176 S C 1.347 175.958 174.600 0.019 0.000 1.153 176 S CA -0.897 57.323 58.200 0.033 0.000 0.995 176 S CB 0.695 63.946 63.200 0.085 0.000 1.058 176 S HN 0.748 nan 8.310 nan 0.000 0.552 177 I N -2.148 118.414 120.570 -0.014 0.000 2.830 177 I HA 0.091 4.257 4.170 -0.007 0.000 0.263 177 I C 0.380 176.502 176.117 0.008 0.000 1.230 177 I CA 0.917 62.208 61.300 -0.015 0.000 1.480 177 I CB -0.367 37.609 38.000 -0.040 0.000 1.095 177 I HN 0.418 nan 8.210 nan 0.000 0.455 178 D N 1.689 122.106 120.400 0.030 0.000 2.339 178 D HA 0.035 4.671 4.640 -0.007 0.000 0.217 178 D C 0.704 177.041 176.300 0.062 0.000 1.050 178 D CA 0.879 54.904 54.000 0.040 0.000 0.856 178 D CB 0.404 41.227 40.800 0.038 0.000 0.922 178 D HN 0.563 nan 8.370 nan 0.000 0.518 179 T N -1.295 113.300 114.554 0.069 0.000 3.866 179 T HA 0.153 4.499 4.350 -0.007 0.000 0.241 179 T C 0.845 175.585 174.700 0.066 0.000 1.017 179 T CA -0.413 61.735 62.100 0.081 0.000 1.300 179 T CB -0.248 68.691 68.868 0.119 0.000 0.968 179 T HN -0.238 nan 8.240 nan 0.000 0.595 180 L N 2.414 123.667 121.223 0.050 0.000 2.633 180 L HA 0.122 4.458 4.340 -0.007 0.000 0.235 180 L C 1.905 178.809 176.870 0.055 0.000 1.163 180 L CA 0.879 55.746 54.840 0.045 0.000 0.859 180 L CB -0.993 41.087 42.059 0.034 0.000 0.973 180 L HN 0.660 nan 8.230 nan 0.000 0.451 181 N N -1.041 117.693 118.700 0.057 0.000 2.322 181 N HA 0.091 4.827 4.740 -0.007 0.000 0.181 181 N C 0.930 176.475 175.510 0.058 0.000 1.088 181 N CA 0.460 53.542 53.050 0.055 0.000 0.885 181 N CB -0.014 38.501 38.487 0.047 0.000 1.013 181 N HN 0.106 nan 8.380 nan 0.000 0.472 182 A N 1.042 123.901 122.820 0.064 0.000 2.448 182 A HA 0.104 4.420 4.320 -0.007 0.000 0.239 182 A C -0.158 177.463 177.584 0.060 0.000 1.080 182 A CA -0.051 52.024 52.037 0.063 0.000 0.779 182 A CB -0.289 18.756 19.000 0.074 0.000 1.026 182 A HN 0.316 nan 8.150 nan 0.000 0.499 183 D N -0.741 119.689 120.400 0.050 0.000 2.382 183 D HA 0.434 5.070 4.640 -0.007 0.000 0.240 183 D C -0.390 175.945 176.300 0.057 0.000 1.146 183 D CA 0.368 54.397 54.000 0.047 0.000 0.897 183 D CB 0.308 41.129 40.800 0.035 0.000 1.197 183 D HN 0.371 nan 8.370 nan 0.000 0.432 184 L N 1.703 122.963 121.223 0.062 0.000 2.334 184 L HA 0.604 4.940 4.340 -0.007 0.000 0.273 184 L C 0.089 176.988 176.870 0.049 0.000 1.013 184 L CA -1.284 53.602 54.840 0.076 0.000 0.816 184 L CB 1.766 43.900 42.059 0.124 0.000 1.278 184 L HN 0.447 nan 8.230 nan 0.000 0.431 185 A N 2.556 125.404 122.820 0.045 0.000 2.462 185 A HA 0.515 4.831 4.320 -0.007 0.000 0.243 185 A C -0.421 177.171 177.584 0.014 0.000 1.076 185 A CA -0.125 51.925 52.037 0.023 0.000 0.773 185 A CB 0.398 19.408 19.000 0.017 0.000 1.010 185 A HN 0.412 nan 8.150 nan 0.000 0.493 186 V N 3.787 123.700 119.914 -0.003 0.000 2.525 186 V HA 0.328 4.443 4.120 -0.007 0.000 0.299 186 V C -0.491 175.585 176.094 -0.030 0.000 1.034 186 V CA -0.094 62.194 62.300 -0.021 0.000 0.863 186 V CB 1.402 33.213 31.823 -0.020 0.000 0.999 186 V HN 0.720 nan 8.190 nan 0.000 0.423 187 I N 3.858 124.392 120.570 -0.060 0.000 2.312 187 I HA 0.390 4.556 4.170 -0.007 0.000 0.290 187 I C 0.328 176.386 176.117 -0.098 0.000 1.008 187 I CA 0.069 61.323 61.300 -0.078 0.000 1.226 187 I CB 1.735 39.636 38.000 -0.165 0.000 1.371 187 I HN 0.504 nan 8.210 nan 0.000 0.468 188 T N 5.968 120.478 114.554 -0.073 0.000 2.767 188 T HA 0.558 4.904 4.350 -0.007 0.000 0.284 188 T C -0.193 174.394 174.700 -0.187 0.000 0.973 188 T CA -0.401 61.643 62.100 -0.093 0.000 0.996 188 T CB 1.487 70.335 68.868 -0.032 0.000 0.927 188 T HN 0.180 nan 8.240 nan 0.000 0.456 189 V N 3.002 122.753 119.914 -0.273 0.000 2.823 189 V HA 0.546 4.662 4.120 -0.007 0.000 0.312 189 V C 0.035 176.041 176.094 -0.148 0.000 1.072 189 V CA -0.838 61.208 62.300 -0.424 0.000 0.937 189 V CB 2.638 34.026 31.823 -0.726 0.000 1.013 189 V HN 0.935 nan 8.190 nan 0.000 0.430 190 T N 3.666 118.293 114.554 0.122 0.000 2.824 190 T HA 0.321 4.667 4.350 -0.007 0.000 0.280 190 T C -0.167 174.660 174.700 0.211 0.000 0.995 190 T CA -0.513 61.686 62.100 0.165 0.000 1.009 190 T CB 1.151 70.123 68.868 0.173 0.000 0.955 190 T HN 0.557 nan 8.240 nan 0.000 0.452 191 K N 1.423 122.002 120.400 0.299 0.000 2.401 191 K HA 0.296 4.612 4.320 -0.007 0.000 0.278 191 K C 1.300 178.039 176.600 0.232 0.000 1.018 191 K CA 0.957 57.481 56.287 0.394 0.000 0.981 191 K CB 0.160 32.882 32.500 0.371 0.000 0.933 191 K HN 0.955 nan 8.250 nan 0.000 0.477 192 G N 2.662 111.595 108.800 0.221 0.000 2.179 192 G HA2 -0.270 3.686 3.960 -0.007 0.000 0.260 192 G HA3 -0.270 3.686 3.960 -0.007 0.000 0.260 192 G C 0.041 174.989 174.900 0.080 0.000 0.977 192 G CA 0.638 45.816 45.100 0.130 0.000 0.641 192 G HN 0.551 nan 8.290 nan 0.000 0.533 193 K N 0.446 120.898 120.400 0.087 0.000 2.087 193 K HA 0.737 5.053 4.320 -0.007 0.000 0.255 193 K C 0.631 177.161 176.600 -0.118 0.000 0.988 193 K CA -0.607 55.632 56.287 -0.081 0.000 0.915 193 K CB 0.502 32.897 32.500 -0.176 0.000 1.043 193 K HN 0.358 nan 8.250 nan 0.000 0.457 194 R N 2.071 122.404 120.500 -0.277 0.000 2.494 194 R HA 0.375 4.711 4.340 -0.007 0.000 0.305 194 R C -1.045 175.065 176.300 -0.317 0.000 0.959 194 R CA -0.742 55.283 56.100 -0.125 0.000 0.864 194 R CB 1.102 31.398 30.300 -0.006 0.000 1.159 194 R HN 0.462 nan 8.270 nan 0.000 0.446 195 Y N 0.935 121.206 120.300 -0.049 0.000 2.409 195 Y HA 0.343 4.891 4.550 -0.004 0.000 0.343 195 Y C 0.247 175.851 175.900 -0.493 0.000 0.973 195 Y CA -0.929 56.975 58.100 -0.326 0.000 1.064 195 Y CB 2.064 40.209 38.460 -0.524 0.000 1.207 195 Y HN 0.346 nan 8.280 nan 0.000 0.452 196 R N 4.413 124.513 120.500 -0.668 0.000 2.230 196 R HA 0.378 4.714 4.340 -0.007 0.000 0.337 196 R C -1.678 174.170 176.300 -0.752 0.000 1.063 196 R CA -0.257 55.343 56.100 -0.832 0.000 0.935 196 R CB -0.030 29.383 30.300 -1.478 0.000 1.121 196 R HN 0.594 nan 8.270 nan 0.000 0.486 197 F N 3.213 122.817 119.950 -0.577 0.000 2.396 197 F HA 0.381 4.908 4.527 0.000 0.000 0.343 197 F C 0.784 176.188 175.800 -0.661 0.000 1.104 197 F CA -0.519 57.065 58.000 -0.694 0.000 1.161 197 F CB 1.304 39.668 39.000 -1.060 0.000 1.146 197 F HN 0.261 nan 8.300 nan 0.000 0.522 198 R N 3.660 124.046 120.500 -0.190 0.000 2.275 198 R HA 0.409 4.745 4.340 -0.007 0.000 0.326 198 R C -1.465 174.742 176.300 -0.154 0.000 0.973 198 R CA -0.957 55.041 56.100 -0.170 0.000 0.854 198 R CB 1.389 31.613 30.300 -0.127 0.000 1.156 198 R HN 0.429 nan 8.270 nan 0.000 0.487 199 L N 4.544 125.668 121.223 -0.164 0.000 2.257 199 L HA 0.379 4.715 4.340 -0.007 0.000 0.290 199 L C -0.989 175.747 176.870 -0.224 0.000 1.044 199 L CA -0.421 54.296 54.840 -0.204 0.000 0.810 199 L CB 1.648 43.580 42.059 -0.211 0.000 1.193 199 L HN 0.288 nan 8.230 nan 0.000 0.425 200 V N 3.810 123.556 119.914 -0.279 0.000 2.487 200 V HA 0.430 4.546 4.120 -0.007 0.000 0.298 200 V C 0.075 175.871 176.094 -0.497 0.000 1.028 200 V CA -0.619 61.441 62.300 -0.399 0.000 0.860 200 V CB 1.567 33.174 31.823 -0.359 0.000 0.991 200 V HN 0.778 nan 8.190 nan 0.000 0.427 201 S N 4.942 120.280 115.700 -0.603 0.000 2.411 201 S HA 0.442 4.908 4.470 -0.007 0.000 0.294 201 S C 0.566 174.585 174.600 -0.968 0.000 1.115 201 S CA -0.575 57.281 58.200 -0.573 0.000 1.071 201 S CB 0.153 63.136 63.200 -0.361 0.000 0.967 201 S HN 0.641 nan 8.310 nan 0.000 0.488 202 L N 3.947 124.707 121.223 -0.771 0.000 2.645 202 L HA 0.217 4.552 4.340 -0.007 0.000 0.234 202 L C 1.191 177.935 176.870 -0.210 0.000 1.165 202 L CA -0.195 54.153 54.840 -0.821 0.000 0.944 202 L CB -0.177 41.683 42.059 -0.331 0.000 1.149 202 L HN 0.534 nan 8.230 nan 0.000 0.446 203 S N -1.196 114.415 115.700 -0.149 0.000 2.565 203 S HA 0.044 4.510 4.470 -0.007 0.000 0.276 203 S C 1.125 175.902 174.600 0.294 0.000 1.326 203 S CA -0.654 57.623 58.200 0.128 0.000 1.045 203 S CB 1.167 64.450 63.200 0.138 0.000 0.918 203 S HN 0.322 nan 8.310 nan 0.000 0.505 204 c N 3.404 122.115 118.600 0.186 0.000 2.594 204 c HA 0.206 4.772 4.570 -0.007 0.000 0.265 204 c C 1.615 175.644 174.090 -0.101 0.000 1.351 204 c CA 0.171 56.410 56.329 -0.151 0.000 1.744 204 c CB -0.975 41.222 42.510 -0.521 0.000 1.890 204 c HN 0.990 nan 8.230 nan 0.000 0.551 205 D N -1.284 119.171 120.400 0.091 0.000 2.488 205 D HA 0.081 4.716 4.640 -0.007 0.000 0.123 205 D C -2.421 173.905 176.300 0.044 0.000 1.487 205 D CA 0.346 54.400 54.000 0.089 0.000 1.423 205 D CB -0.731 40.230 40.800 0.267 0.000 2.171 205 D HN 0.074 nan 8.370 nan 0.000 0.257 206 P HA 0.194 nan 4.420 nan 0.000 0.275 206 P C -0.524 176.602 177.300 -0.289 0.000 1.228 206 P CA -0.067 62.921 63.100 -0.187 0.000 0.786 206 P CB 0.531 32.036 31.700 -0.326 0.000 0.927 207 N N 1.128 119.634 118.700 -0.324 0.000 2.408 207 N HA 0.267 5.003 4.740 -0.007 0.000 0.260 207 N C -0.801 174.357 175.510 -0.587 0.000 1.242 207 N CA -0.337 52.470 53.050 -0.404 0.000 0.959 207 N CB 0.195 38.279 38.487 -0.671 0.000 1.201 207 N HN 0.420 nan 8.380 nan 0.000 0.511 208 H N -1.645 117.295 119.070 -0.216 0.000 2.771 208 H HA 0.425 4.973 4.556 -0.012 0.000 0.361 208 H C -1.104 174.171 175.328 -0.087 0.000 1.108 208 H CA -0.974 55.006 56.048 -0.114 0.000 1.201 208 H CB 1.524 31.265 29.762 -0.035 0.000 1.681 208 H HN 0.285 nan 8.280 nan 0.000 0.534 209 V N 3.961 123.907 119.914 0.054 0.000 2.408 209 V HA 0.143 4.259 4.120 -0.007 0.000 0.267 209 V C -0.427 175.751 176.094 0.140 0.000 1.047 209 V CA -0.266 62.067 62.300 0.055 0.000 0.937 209 V CB -0.128 31.701 31.823 0.011 0.000 0.999 209 V HN 0.588 nan 8.190 nan 0.000 0.472 210 F N 5.230 125.161 119.950 -0.033 0.000 2.480 210 F HA 0.810 5.346 4.527 0.015 0.000 0.329 210 F C 0.105 175.837 175.800 -0.113 0.000 1.091 210 F CA 0.031 57.999 58.000 -0.052 0.000 0.972 210 F CB 1.862 40.824 39.000 -0.062 0.000 1.150 210 F HN 0.556 nan 8.300 nan 0.000 0.467 211 S N 5.509 120.741 115.700 -0.780 0.000 2.558 211 S HA 0.627 5.093 4.470 -0.007 0.000 0.277 211 S C -1.628 172.587 174.600 -0.641 0.000 1.143 211 S CA -0.943 56.945 58.200 -0.520 0.000 0.865 211 S CB 0.997 64.045 63.200 -0.254 0.000 1.102 211 S HN 0.659 nan 8.310 nan 0.000 0.454 212 I N 1.950 122.274 120.570 -0.410 0.000 2.447 212 I HA 0.326 4.492 4.170 -0.007 0.000 0.287 212 I C -0.900 175.158 176.117 -0.098 0.000 1.023 212 I CA -0.642 60.476 61.300 -0.303 0.000 1.083 212 I CB 1.695 39.508 38.000 -0.312 0.000 1.245 212 I HN 0.637 nan 8.210 nan 0.000 0.434 213 D N 5.025 125.422 120.400 -0.005 0.000 2.583 213 D HA 0.152 4.788 4.640 -0.007 0.000 0.232 213 D C 1.200 177.662 176.300 0.270 0.000 1.128 213 D CA 1.735 55.812 54.000 0.129 0.000 0.859 213 D CB 0.758 41.691 40.800 0.222 0.000 1.169 213 D HN 0.921 nan 8.370 nan 0.000 0.481 214 G N 1.747 110.652 108.800 0.174 0.000 2.179 214 G HA2 -0.263 3.693 3.960 -0.007 0.000 0.260 214 G HA3 -0.263 3.693 3.960 -0.007 0.000 0.260 214 G C 0.156 174.968 174.900 -0.147 0.000 0.977 214 G CA 0.445 45.596 45.100 0.086 0.000 0.641 214 G HN 0.667 nan 8.290 nan 0.000 0.533 215 H N -0.300 118.701 119.070 -0.116 0.000 2.834 215 H HA 0.820 5.368 4.556 -0.013 0.000 0.369 215 H C -0.138 175.139 175.328 -0.086 0.000 1.174 215 H CA 0.066 56.050 56.048 -0.107 0.000 1.165 215 H CB 1.913 31.598 29.762 -0.128 0.000 1.820 215 H HN 0.179 nan 8.280 nan 0.000 0.558 216 S N 0.573 116.308 115.700 0.059 0.000 2.648 216 S HA 0.661 5.127 4.470 -0.007 0.000 0.305 216 S C -1.048 173.564 174.600 0.019 0.000 1.094 216 S CA -0.869 57.334 58.200 0.005 0.000 0.983 216 S CB 0.920 64.118 63.200 -0.002 0.000 1.101 216 S HN 0.341 nan 8.310 nan 0.000 0.514 217 L N 1.506 122.700 121.223 -0.048 0.000 2.381 217 L HA 0.490 4.825 4.340 -0.007 0.000 0.274 217 L C -0.600 176.291 176.870 0.036 0.000 0.988 217 L CA -0.676 54.129 54.840 -0.058 0.000 0.824 217 L CB 1.916 43.690 42.059 -0.476 0.000 1.263 217 L HN 0.484 nan 8.230 nan 0.000 0.410 218 T N 2.490 117.137 114.554 0.154 0.000 2.891 218 T HA 0.301 4.647 4.350 -0.007 0.000 0.315 218 T C 0.216 174.990 174.700 0.124 0.000 1.054 218 T CA -0.340 61.823 62.100 0.105 0.000 0.958 218 T CB 0.820 69.745 68.868 0.095 0.000 1.008 218 T HN 0.198 nan 8.240 nan 0.000 0.521 219 V N 5.730 125.689 119.914 0.075 0.000 2.555 219 V HA 0.220 4.336 4.120 -0.007 0.000 0.286 219 V C 1.257 177.372 176.094 0.035 0.000 1.044 219 V CA 0.102 62.455 62.300 0.090 0.000 1.026 219 V CB 0.380 32.209 31.823 0.009 0.000 0.981 219 V HN 0.894 nan 8.190 nan 0.000 0.480 220 I N 0.722 121.309 120.570 0.027 0.000 4.338 220 I HA 0.569 4.735 4.170 -0.007 0.000 0.329 220 I C 0.411 176.583 176.117 0.092 0.000 1.378 220 I CA 0.131 61.359 61.300 -0.120 0.000 1.170 220 I CB 0.544 38.274 38.000 -0.450 0.000 1.206 220 I HN 0.592 nan 8.210 nan 0.000 0.432 221 E N 1.992 122.276 120.200 0.140 0.000 2.352 221 E HA 0.735 5.081 4.350 -0.007 0.000 0.280 221 E C -1.860 174.806 176.600 0.111 0.000 0.930 221 E CA -0.800 55.667 56.400 0.112 0.000 0.765 221 E CB 2.878 32.608 29.700 0.050 0.000 1.219 221 E HN 0.249 nan 8.360 nan 0.000 0.434 222 A N 3.426 126.239 122.820 -0.013 0.000 2.353 222 A HA 0.478 4.794 4.320 -0.007 0.000 0.299 222 A C -0.766 176.659 177.584 -0.265 0.000 1.089 222 A CA -0.501 51.414 52.037 -0.202 0.000 0.736 222 A CB 0.777 19.752 19.000 -0.043 0.000 1.195 222 A HN 0.738 nan 8.150 nan 0.000 0.447 223 D N 2.482 122.653 120.400 -0.382 0.000 2.706 223 D HA -0.238 4.398 4.640 -0.007 0.000 0.230 223 D C 0.793 176.872 176.300 -0.368 0.000 1.184 223 D CA 2.434 56.236 54.000 -0.329 0.000 0.628 223 D CB -1.484 39.176 40.800 -0.232 0.000 1.019 223 D HN 1.849 nan 8.370 nan 0.000 0.415 224 S N -4.257 111.179 115.700 -0.440 0.000 3.482 224 S HA -0.250 4.216 4.470 -0.007 0.000 0.294 224 S C -0.066 174.362 174.600 -0.287 0.000 1.244 224 S CA 0.653 58.526 58.200 -0.546 0.000 0.911 224 S CB -1.760 60.754 63.200 -1.144 0.000 1.070 224 S HN 0.541 nan 8.310 nan 0.000 0.614 225 V N 2.068 121.882 119.914 -0.167 0.000 2.409 225 V HA 0.428 4.544 4.120 -0.007 0.000 0.291 225 V C 0.592 176.681 176.094 -0.008 0.000 1.020 225 V CA -0.749 61.511 62.300 -0.068 0.000 0.848 225 V CB 1.417 33.231 31.823 -0.016 0.000 0.990 225 V HN 0.549 nan 8.190 nan 0.000 0.430 226 N N 4.323 123.028 118.700 0.008 0.000 2.492 226 N HA 0.405 5.141 4.740 -0.007 0.000 0.262 226 N C -0.822 174.778 175.510 0.150 0.000 1.202 226 N CA -0.209 52.895 53.050 0.090 0.000 0.926 226 N CB 0.685 39.162 38.487 -0.016 0.000 1.078 226 N HN 0.516 nan 8.380 nan 0.000 0.454 227 L N 1.669 123.055 121.223 0.272 0.000 2.322 227 L HA 0.443 4.779 4.340 -0.007 0.000 0.269 227 L C 0.323 177.339 176.870 0.243 0.000 1.012 227 L CA -1.249 53.714 54.840 0.204 0.000 0.815 227 L CB 1.063 43.214 42.059 0.154 0.000 1.295 227 L HN 0.324 nan 8.230 nan 0.000 0.438 228 K N 1.641 122.136 120.400 0.159 0.000 2.448 228 K HA 0.207 4.523 4.320 -0.007 0.000 0.278 228 K C -2.301 174.347 176.600 0.081 0.000 1.009 228 K CA -1.507 54.862 56.287 0.136 0.000 0.995 228 K CB 0.206 32.762 32.500 0.094 0.000 0.917 228 K HN 0.205 nan 8.250 nan 0.000 0.481 229 P HA 0.031 nan 4.420 nan 0.000 0.269 229 P C -0.833 176.474 177.300 0.012 0.000 1.209 229 P CA -0.055 63.030 63.100 -0.025 0.000 0.776 229 P CB 0.520 32.196 31.700 -0.039 0.000 0.876 230 Q N 1.299 121.104 119.800 0.009 0.000 2.309 230 Q HA 0.320 4.656 4.340 -0.007 0.000 0.254 230 Q C -1.298 174.703 176.000 0.002 0.000 0.938 230 Q CA -0.176 55.634 55.803 0.012 0.000 0.789 230 Q CB 0.756 29.505 28.738 0.018 0.000 1.313 230 Q HN 0.239 nan 8.270 nan 0.000 0.438 231 T N 3.289 117.845 114.554 0.003 0.000 2.869 231 T HA 0.647 4.993 4.350 -0.007 0.000 0.295 231 T C -0.171 174.517 174.700 -0.020 0.000 0.987 231 T CA 0.209 62.309 62.100 -0.000 0.000 1.109 231 T CB 0.590 69.464 68.868 0.010 0.000 0.932 231 T HN 0.573 nan 8.240 nan 0.000 0.518 232 V N 0.937 120.827 119.914 -0.040 0.000 3.076 232 V HA 0.736 4.852 4.120 -0.007 0.000 0.311 232 V C -0.264 175.785 176.094 -0.074 0.000 1.346 232 V CA -0.681 61.582 62.300 -0.062 0.000 1.056 232 V CB 2.013 33.780 31.823 -0.095 0.000 1.093 232 V HN 0.675 nan 8.190 nan 0.000 0.468 233 D N -0.595 119.755 120.400 -0.083 0.000 2.267 233 D HA 0.327 4.963 4.640 -0.007 0.000 0.297 233 D C 0.185 176.427 176.300 -0.096 0.000 1.087 233 D CA 1.098 55.053 54.000 -0.076 0.000 0.864 233 D CB 1.058 41.827 40.800 -0.052 0.000 1.557 233 D HN 1.275 nan 8.370 nan 0.000 0.523 234 S N -0.445 115.199 115.700 -0.093 0.000 2.558 234 S HA 0.549 5.015 4.470 -0.007 0.000 0.277 234 S C -1.660 172.896 174.600 -0.075 0.000 1.143 234 S CA -0.893 57.261 58.200 -0.076 0.000 0.865 234 S CB 0.666 63.834 63.200 -0.053 0.000 1.102 234 S HN 0.054 nan 8.310 nan 0.000 0.454 235 I N 2.405 122.953 120.570 -0.037 0.000 2.468 235 I HA 0.398 4.564 4.170 -0.007 0.000 0.285 235 I C -0.373 175.740 176.117 -0.007 0.000 1.039 235 I CA -0.381 60.868 61.300 -0.085 0.000 1.074 235 I CB 2.093 39.983 38.000 -0.184 0.000 1.228 235 I HN 0.828 nan 8.210 nan 0.000 0.436 236 Q N 7.447 127.235 119.800 -0.021 0.000 2.361 236 Q HA 0.489 4.825 4.340 -0.007 0.000 0.250 236 Q C -1.236 174.729 176.000 -0.059 0.000 1.023 236 Q CA -0.160 55.597 55.803 -0.076 0.000 0.915 236 Q CB 1.149 29.835 28.738 -0.087 0.000 1.238 236 Q HN 0.704 nan 8.270 nan 0.000 0.451 237 I N 4.557 125.084 120.570 -0.071 0.000 2.377 237 I HA 0.431 4.597 4.170 -0.007 0.000 0.293 237 I C -1.299 174.749 176.117 -0.116 0.000 0.987 237 I CA -0.960 60.391 61.300 0.084 0.000 1.185 237 I CB 0.701 38.788 38.000 0.144 0.000 1.341 237 I HN 0.635 nan 8.210 nan 0.000 0.455 238 F N 5.494 125.484 119.950 0.067 0.000 2.403 238 F HA 0.578 5.106 4.527 0.001 0.000 0.326 238 F C 0.978 176.745 175.800 -0.056 0.000 1.081 238 F CA -0.581 57.436 58.000 0.028 0.000 1.041 238 F CB 1.160 40.195 39.000 0.057 0.000 1.234 238 F HN 0.490 nan 8.300 nan 0.000 0.503 239 A N 1.764 124.657 122.820 0.122 0.000 2.584 239 A HA 0.328 4.644 4.320 -0.007 0.000 0.239 239 A C 0.977 178.420 177.584 -0.235 0.000 1.043 239 A CA 0.651 52.664 52.037 -0.040 0.000 0.756 239 A CB -0.963 18.079 19.000 0.070 0.000 0.963 239 A HN 1.898 nan 8.150 nan 0.000 0.511 240 A N 1.374 123.886 122.820 -0.514 0.000 3.663 240 A HA -0.183 4.133 4.320 -0.007 0.000 0.254 240 A C 0.656 177.926 177.584 -0.524 0.000 1.037 240 A CA 1.422 53.042 52.037 -0.694 0.000 1.450 240 A CB -2.364 16.015 19.000 -1.035 0.000 1.014 240 A HN 0.967 nan 8.150 nan 0.000 0.865 241 Q N -0.737 118.859 119.800 -0.340 0.000 2.492 241 Q HA 0.540 4.876 4.340 -0.007 0.000 0.238 241 Q C 0.018 175.769 176.000 -0.416 0.000 1.045 241 Q CA 0.202 55.822 55.803 -0.304 0.000 0.934 241 Q CB 0.290 28.924 28.738 -0.174 0.000 1.276 241 Q HN 0.538 nan 8.270 nan 0.000 0.521 242 R N 0.436 120.655 120.500 -0.468 0.000 2.725 242 R HA 0.506 4.842 4.340 -0.007 0.000 0.277 242 R C -1.683 174.274 176.300 -0.572 0.000 0.987 242 R CA -0.539 55.309 56.100 -0.420 0.000 0.901 242 R CB 1.210 31.308 30.300 -0.337 0.000 1.207 242 R HN 0.458 nan 8.270 nan 0.000 0.463 243 Y N -0.605 119.623 120.300 -0.121 0.000 2.477 243 Y HA 0.531 5.078 4.550 -0.005 0.000 0.347 243 Y C -0.074 175.787 175.900 -0.065 0.000 0.981 243 Y CA -0.686 57.380 58.100 -0.055 0.000 1.033 243 Y CB 2.735 41.201 38.460 0.010 0.000 1.245 243 Y HN 0.457 nan 8.280 nan 0.000 0.455 244 S N 3.565 119.337 115.700 0.121 0.000 2.508 244 S HA 0.703 5.169 4.470 -0.007 0.000 0.284 244 S C -1.219 173.446 174.600 0.109 0.000 1.192 244 S CA -0.582 57.616 58.200 -0.002 0.000 1.070 244 S CB 0.138 63.317 63.200 -0.035 0.000 1.004 244 S HN 0.452 nan 8.310 nan 0.000 0.493 245 F N 0.486 120.461 119.950 0.041 0.000 2.588 245 F HA 0.783 5.310 4.527 0.000 0.000 0.310 245 F C -1.093 174.752 175.800 0.076 0.000 1.082 245 F CA -1.329 56.700 58.000 0.049 0.000 0.929 245 F CB 0.435 39.465 39.000 0.050 0.000 1.254 245 F HN 0.199 nan 8.300 nan 0.000 0.455 246 V N 4.226 124.303 119.914 0.272 0.000 2.465 246 V HA 0.438 4.554 4.120 -0.007 0.000 0.279 246 V C -0.375 175.955 176.094 0.392 0.000 1.045 246 V CA -0.586 61.840 62.300 0.210 0.000 0.938 246 V CB 1.358 33.292 31.823 0.185 0.000 0.986 246 V HN 0.872 nan 8.190 nan 0.000 0.467 247 L N 4.871 126.334 121.223 0.400 0.000 2.341 247 L HA 0.638 4.974 4.340 -0.007 0.000 0.278 247 L C -0.386 176.699 176.870 0.358 0.000 1.005 247 L CA -0.432 54.682 54.840 0.456 0.000 0.818 247 L CB 1.748 44.181 42.059 0.624 0.000 1.259 247 L HN 0.667 nan 8.230 nan 0.000 0.418 248 N N 4.135 123.011 118.700 0.295 0.000 2.437 248 N HA 0.431 5.167 4.740 -0.007 0.000 0.259 248 N C -0.624 175.062 175.510 0.294 0.000 0.983 248 N CA -0.316 52.883 53.050 0.248 0.000 0.937 248 N CB 1.799 40.385 38.487 0.166 0.000 1.122 248 N HN 0.669 nan 8.380 nan 0.000 0.499 249 A N 3.604 126.613 122.820 0.316 0.000 2.805 249 A HA 0.198 4.514 4.320 -0.007 0.000 0.301 249 A C -0.155 177.683 177.584 0.423 0.000 1.557 249 A CA -0.405 51.836 52.037 0.340 0.000 1.254 249 A CB -0.483 18.579 19.000 0.104 0.000 1.114 249 A HN 0.743 nan 8.150 nan 0.000 0.553 250 D N 0.643 121.246 120.400 0.338 0.000 2.760 250 D HA 0.122 4.758 4.640 -0.007 0.000 0.314 250 D C -0.054 176.285 176.300 0.065 0.000 1.464 250 D CA -0.132 53.977 54.000 0.182 0.000 0.797 250 D CB 0.118 40.983 40.800 0.107 0.000 1.149 250 D HN 0.285 nan 8.370 nan 0.000 0.455 251 Q N 0.054 119.880 119.800 0.043 0.000 2.385 251 Q HA 0.314 4.650 4.340 -0.007 0.000 0.262 251 Q C -0.464 175.390 176.000 -0.243 0.000 1.050 251 Q CA -0.541 55.174 55.803 -0.147 0.000 0.903 251 Q CB 0.769 29.297 28.738 -0.350 0.000 1.325 251 Q HN 0.080 nan 8.270 nan 0.000 0.485 252 D N 0.880 121.194 120.400 -0.142 0.000 2.412 252 D HA 0.039 4.675 4.640 -0.007 0.000 0.257 252 D C -0.208 175.886 176.300 -0.344 0.000 1.217 252 D CA 0.200 54.099 54.000 -0.168 0.000 0.897 252 D CB 0.320 41.076 40.800 -0.074 0.000 1.132 252 D HN 0.122 nan 8.370 nan 0.000 0.493 253 V N 2.559 122.219 119.914 -0.423 0.000 2.814 253 V HA 0.229 4.344 4.120 -0.007 0.000 0.298 253 V C 1.261 177.248 176.094 -0.177 0.000 1.195 253 V CA 1.312 63.413 62.300 -0.332 0.000 1.323 253 V CB -0.212 31.568 31.823 -0.071 0.000 0.842 253 V HN 0.821 nan 8.190 nan 0.000 0.494 254 G N 4.950 113.719 108.800 -0.052 0.000 2.320 254 G HA2 0.238 4.194 3.960 -0.007 0.000 0.296 254 G HA3 0.238 4.194 3.960 -0.007 0.000 0.296 254 G C -1.498 173.382 174.900 -0.033 0.000 1.306 254 G CA -0.893 44.127 45.100 -0.132 0.000 0.836 254 G HN 0.524 nan 8.290 nan 0.000 0.517 255 N N 0.159 118.697 118.700 -0.271 0.000 2.417 255 N HA 0.532 5.267 4.740 -0.007 0.000 0.274 255 N C -1.591 173.649 175.510 -0.451 0.000 0.987 255 N CA -0.148 52.763 53.050 -0.233 0.000 0.912 255 N CB 1.875 40.195 38.487 -0.279 0.000 1.177 255 N HN 0.377 nan 8.380 nan 0.000 0.490 256 Y N -0.090 120.120 120.300 -0.150 0.000 2.429 256 Y HA 0.337 4.877 4.550 -0.017 0.000 0.342 256 Y C 0.030 175.813 175.900 -0.194 0.000 1.004 256 Y CA -0.983 57.033 58.100 -0.141 0.000 1.075 256 Y CB 1.063 39.531 38.460 0.014 0.000 1.214 256 Y HN 0.409 nan 8.280 nan 0.000 0.455 257 W N 3.797 125.099 121.300 0.003 0.000 2.210 257 W HA 0.371 5.050 4.660 0.032 0.000 0.330 257 W C -0.450 175.954 176.519 -0.192 0.000 1.334 257 W CA -0.091 57.184 57.345 -0.116 0.000 1.227 257 W CB 0.342 29.684 29.460 -0.197 0.000 1.178 257 W HN 0.241 nan 8.180 nan 0.000 0.560 258 I N 4.502 125.129 120.570 0.095 0.000 2.336 258 I HA 0.377 4.543 4.170 -0.007 0.000 0.292 258 I C 0.005 175.998 176.117 -0.207 0.000 0.991 258 I CA -0.960 60.234 61.300 -0.177 0.000 1.227 258 I CB 0.934 38.844 38.000 -0.151 0.000 1.366 258 I HN 0.331 nan 8.210 nan 0.000 0.466 259 R N 5.283 125.533 120.500 -0.417 0.000 2.599 259 R HA 0.808 5.144 4.340 -0.007 0.000 0.295 259 R C -0.882 175.344 176.300 -0.123 0.000 0.963 259 R CA -0.863 55.071 56.100 -0.278 0.000 0.883 259 R CB 2.125 32.086 30.300 -0.564 0.000 1.171 259 R HN 0.676 nan 8.270 nan 0.000 0.450 260 A N 3.304 126.225 122.820 0.168 0.000 2.815 260 A HA 0.252 4.568 4.320 -0.007 0.000 0.318 260 A C -1.105 176.624 177.584 0.241 0.000 1.186 260 A CA -0.618 51.543 52.037 0.207 0.000 0.754 260 A CB 0.529 19.608 19.000 0.132 0.000 1.151 260 A HN 0.559 nan 8.150 nan 0.000 0.452 261 L N 4.946 126.286 121.223 0.195 0.000 2.369 261 L HA 0.426 4.762 4.340 -0.007 0.000 0.279 261 L C -2.044 174.790 176.870 -0.061 0.000 1.108 261 L CA -1.286 53.517 54.840 -0.062 0.000 0.852 261 L CB 0.341 42.347 42.059 -0.088 0.000 1.169 261 L HN 0.393 nan 8.230 nan 0.000 0.452 262 P HA 0.162 nan 4.420 nan 0.000 0.276 262 P C -0.496 176.647 177.300 -0.260 0.000 1.261 262 P CA -0.301 62.625 63.100 -0.291 0.000 0.800 262 P CB 0.544 32.096 31.700 -0.246 0.000 1.066 263 N N -0.846 117.684 118.700 -0.284 0.000 2.336 263 N HA -0.005 4.731 4.740 -0.007 0.000 0.189 263 N C 0.019 175.429 175.510 -0.168 0.000 1.113 263 N CA -0.078 52.853 53.050 -0.198 0.000 0.858 263 N CB -0.201 38.178 38.487 -0.180 0.000 0.970 263 N HN 0.445 nan 8.380 nan 0.000 0.471 264 S N -2.867 112.726 115.700 -0.177 0.000 2.656 264 S HA 0.714 5.180 4.470 -0.007 0.000 0.273 264 S C 0.405 174.919 174.600 -0.143 0.000 1.168 264 S CA -0.250 57.866 58.200 -0.140 0.000 0.817 264 S CB 1.694 64.828 63.200 -0.110 0.000 1.146 264 S HN 0.519 nan 8.310 nan 0.000 0.475 265 G N 0.947 109.673 108.800 -0.124 0.000 2.574 265 G HA2 -0.209 3.747 3.960 -0.007 0.000 0.286 265 G HA3 -0.209 3.747 3.960 -0.007 0.000 0.286 265 G C -0.001 174.814 174.900 -0.142 0.000 1.212 265 G CA 0.085 45.107 45.100 -0.130 0.000 0.979 265 G HN 1.694 nan 8.290 nan 0.000 0.557 266 T N 3.762 118.224 114.554 -0.153 0.000 2.775 266 T HA 0.445 4.791 4.350 -0.007 0.000 0.281 266 T C 1.044 175.612 174.700 -0.220 0.000 0.908 266 T CA 0.113 62.113 62.100 -0.166 0.000 1.123 266 T CB 0.102 68.879 68.868 -0.151 0.000 0.879 266 T HN 0.561 nan 8.240 nan 0.000 0.547 267 R N 3.165 123.535 120.500 -0.218 0.000 2.531 267 R HA 0.346 4.682 4.340 -0.007 0.000 0.260 267 R C 0.832 176.923 176.300 -0.348 0.000 1.144 267 R CA -0.824 55.110 56.100 -0.277 0.000 1.171 267 R CB 0.277 30.457 30.300 -0.201 0.000 1.199 267 R HN 0.618 nan 8.270 nan 0.000 0.594 268 N N -0.294 118.143 118.700 -0.437 0.000 6.287 268 N HA -0.284 4.452 4.740 -0.007 0.000 0.390 268 N C -0.305 174.811 175.510 -0.657 0.000 0.933 268 N CA 1.281 54.025 53.050 -0.510 0.000 1.631 268 N CB -0.339 38.045 38.487 -0.171 0.000 0.760 268 N HN 0.511 nan 8.380 nan 0.000 0.488 269 F N -0.452 119.402 119.950 -0.159 0.000 2.881 269 F HA 0.236 4.719 4.527 -0.074 0.000 0.343 269 F C 0.046 175.712 175.800 -0.224 0.000 1.233 269 F CA -0.661 57.205 58.000 -0.224 0.000 1.262 269 F CB 0.299 39.101 39.000 -0.330 0.000 0.980 269 F HN 0.028 nan 8.300 nan 0.000 0.506 270 D N 0.847 121.223 120.400 -0.041 0.000 2.417 270 D HA 0.323 4.959 4.640 -0.007 0.000 0.250 270 D C 1.340 177.613 176.300 -0.047 0.000 1.166 270 D CA 1.039 55.015 54.000 -0.040 0.000 0.881 270 D CB 1.200 41.978 40.800 -0.037 0.000 1.164 270 D HN 0.542 nan 8.370 nan 0.000 0.467 271 G N 1.836 110.612 108.800 -0.041 0.000 2.136 271 G HA2 -0.135 3.821 3.960 -0.007 0.000 0.242 271 G HA3 -0.135 3.821 3.960 -0.007 0.000 0.242 271 G C 0.976 175.860 174.900 -0.027 0.000 0.989 271 G CA 0.283 45.376 45.100 -0.012 0.000 0.682 271 G HN 1.281 nan 8.290 nan 0.000 0.522 272 G N -2.014 106.690 108.800 -0.160 0.000 2.160 272 G HA2 0.070 4.026 3.960 -0.007 0.000 0.251 272 G HA3 0.070 4.026 3.960 -0.007 0.000 0.251 272 G C 1.110 175.940 174.900 -0.118 0.000 1.008 272 G CA 1.294 46.224 45.100 -0.283 0.000 0.724 272 G HN 2.319 nan 8.290 nan 0.000 0.514 273 V N -2.894 116.977 119.914 -0.071 0.000 3.096 273 V HA 0.513 4.629 4.120 -0.007 0.000 0.306 273 V C 1.124 177.221 176.094 0.004 0.000 1.088 273 V CA 0.173 62.451 62.300 -0.037 0.000 1.129 273 V CB 0.817 32.602 31.823 -0.064 0.000 1.014 273 V HN 0.713 nan 8.190 nan 0.000 0.486 274 N N 0.967 119.674 118.700 0.011 0.000 2.727 274 N HA -0.169 4.567 4.740 -0.007 0.000 0.249 274 N C -0.103 175.502 175.510 0.159 0.000 1.048 274 N CA 1.341 54.432 53.050 0.068 0.000 0.714 274 N CB -1.272 37.186 38.487 -0.048 0.000 0.959 274 N HN 0.970 nan 8.380 nan 0.000 0.544 275 S N -1.240 114.503 115.700 0.070 0.000 2.556 275 S HA 0.924 5.390 4.470 -0.007 0.000 0.271 275 S C -0.236 174.447 174.600 0.138 0.000 1.135 275 S CA -0.119 58.107 58.200 0.044 0.000 0.858 275 S CB 2.854 65.929 63.200 -0.209 0.000 1.114 275 S HN 0.543 nan 8.310 nan 0.000 0.468 276 A N 1.247 124.188 122.820 0.200 0.000 2.535 276 A HA 0.925 5.241 4.320 -0.007 0.000 0.296 276 A C -1.864 175.848 177.584 0.213 0.000 1.248 276 A CA -0.689 51.460 52.037 0.187 0.000 0.686 276 A CB 0.845 19.892 19.000 0.078 0.000 1.315 276 A HN 0.693 nan 8.150 nan 0.000 0.460 277 I N 0.644 121.249 120.570 0.058 0.000 2.468 277 I HA 0.302 4.468 4.170 -0.007 0.000 0.285 277 I C -1.230 174.844 176.117 -0.071 0.000 1.039 277 I CA -0.549 60.721 61.300 -0.049 0.000 1.074 277 I CB 1.745 39.681 38.000 -0.108 0.000 1.228 277 I HN 0.505 nan 8.210 nan 0.000 0.436 278 L N 7.346 128.522 121.223 -0.079 0.000 2.313 278 L HA 0.399 4.735 4.340 -0.007 0.000 0.282 278 L C 0.007 176.882 176.870 0.009 0.000 1.092 278 L CA 0.288 55.072 54.840 -0.094 0.000 0.831 278 L CB 0.413 42.370 42.059 -0.169 0.000 1.159 278 L HN 0.568 nan 8.230 nan 0.000 0.442 279 R N 3.945 124.432 120.500 -0.021 0.000 2.435 279 R HA 0.328 4.664 4.340 -0.007 0.000 0.308 279 R C -1.416 174.924 176.300 0.066 0.000 0.975 279 R CA -0.619 55.513 56.100 0.053 0.000 0.867 279 R CB 0.645 30.943 30.300 -0.004 0.000 1.171 279 R HN 0.488 nan 8.270 nan 0.000 0.470 280 Y N 2.200 122.536 120.300 0.060 0.000 2.497 280 Y HA -0.002 4.541 4.550 -0.011 0.000 0.334 280 Y C 0.430 176.357 175.900 0.045 0.000 1.199 280 Y CA 0.475 58.617 58.100 0.071 0.000 1.425 280 Y CB 0.506 39.037 38.460 0.118 0.000 1.291 280 Y HN 0.553 nan 8.280 nan 0.000 0.562 281 D N 1.764 122.262 120.400 0.164 0.000 2.533 281 D HA 0.221 4.857 4.640 -0.007 0.000 0.236 281 D C 1.214 177.591 176.300 0.127 0.000 1.137 281 D CA 1.727 55.798 54.000 0.118 0.000 0.867 281 D CB 0.482 41.342 40.800 0.100 0.000 1.170 281 D HN 0.826 nan 8.370 nan 0.000 0.474 282 G N 0.805 109.654 108.800 0.081 0.000 2.213 282 G HA2 -0.162 3.794 3.960 -0.007 0.000 0.236 282 G HA3 -0.162 3.794 3.960 -0.007 0.000 0.236 282 G C 0.499 175.425 174.900 0.044 0.000 0.991 282 G CA 0.195 45.330 45.100 0.059 0.000 0.629 282 G HN 0.886 nan 8.290 nan 0.000 0.517 283 A N 0.450 123.306 122.820 0.060 0.000 2.351 283 A HA 0.856 5.172 4.320 -0.007 0.000 0.257 283 A C 1.014 178.598 177.584 -0.002 0.000 1.087 283 A CA 0.966 53.017 52.037 0.025 0.000 0.798 283 A CB 0.492 19.519 19.000 0.046 0.000 1.033 283 A HN 2.104 nan 8.150 nan 0.000 0.488 284 A N 2.954 125.757 122.820 -0.028 0.000 2.498 284 A HA 0.085 4.401 4.320 -0.007 0.000 0.239 284 A C -1.275 176.284 177.584 -0.041 0.000 1.068 284 A CA -0.949 51.068 52.037 -0.034 0.000 0.766 284 A CB -0.259 18.714 19.000 -0.045 0.000 1.003 284 A HN 0.045 nan 8.150 nan 0.000 0.497 285 P HA -0.004 nan 4.420 nan 0.000 0.251 285 P C -1.089 176.181 177.300 -0.051 0.000 1.624 285 P CA 0.013 63.091 63.100 -0.035 0.000 0.907 285 P CB -0.665 31.022 31.700 -0.021 0.000 1.867 286 V N -4.117 115.749 119.914 -0.079 0.000 3.074 286 V HA 0.290 4.406 4.120 -0.007 0.000 0.314 286 V C -1.559 174.437 176.094 -0.163 0.000 1.117 286 V CA -2.790 59.451 62.300 -0.098 0.000 1.014 286 V CB 2.678 34.445 31.823 -0.092 0.000 1.057 286 V HN -0.328 nan 8.190 nan 0.000 0.438 287 E N 0.625 120.722 120.200 -0.171 0.000 2.392 287 E HA 0.087 nan 4.350 nan 0.000 0.264 287 E C -1.885 174.426 176.600 -0.482 0.000 1.024 287 E CA -0.840 55.370 56.400 -0.317 0.000 0.903 287 E CB 0.405 30.022 29.700 -0.139 0.000 0.963 287 E HN 0.177 8.437 8.360 -0.166 0.000 0.432 288 P HA -0.008 nan 4.420 nan 0.000 0.270 288 P C 0.030 176.970 177.300 -0.599 0.000 1.223 288 P CA 0.343 62.890 63.100 -0.921 0.000 0.785 288 P CB 0.483 31.295 31.700 -1.480 0.000 0.923 289 T N -1.176 113.180 114.554 -0.329 0.000 3.170 289 T HA 0.130 4.476 4.350 -0.007 0.000 0.288 289 T C 0.388 175.074 174.700 -0.023 0.000 0.992 289 T CA -0.040 62.012 62.100 -0.080 0.000 0.909 289 T CB -0.392 68.423 68.868 -0.089 0.000 1.133 289 T HN 0.561 nan 8.240 nan 0.000 0.530 290 T N -0.245 114.273 114.554 -0.060 0.000 2.726 290 T HA 0.582 4.928 4.350 -0.007 0.000 0.294 290 T C 0.224 175.010 174.700 0.144 0.000 1.013 290 T CA -0.475 61.636 62.100 0.019 0.000 0.996 290 T CB 1.110 69.979 68.868 0.001 0.000 1.016 290 T HN 0.016 nan 8.240 nan 0.000 0.529 291 S N 1.504 117.255 115.700 0.086 0.000 2.542 291 S HA 0.307 4.773 4.470 -0.007 0.000 0.293 291 S C -1.631 172.981 174.600 0.020 0.000 1.089 291 S CA -0.645 57.583 58.200 0.047 0.000 0.961 291 S CB 2.162 65.377 63.200 0.024 0.000 1.062 291 S HN 0.735 nan 8.310 nan 0.000 0.483 292 Q N 0.781 120.558 119.800 -0.038 0.000 2.259 292 Q HA 0.229 nan 4.340 nan 0.000 0.246 292 Q C -0.558 175.427 176.000 -0.024 0.000 0.920 292 Q CA -0.162 55.609 55.803 -0.052 0.000 0.895 292 Q CB 0.928 29.589 28.738 -0.128 0.000 1.220 292 Q HN 0.536 8.796 8.270 -0.016 0.000 0.439 293 T N 1.128 115.671 114.554 -0.019 0.000 2.902 293 T HA 0.449 4.795 4.350 -0.007 0.000 0.283 293 T C -1.541 173.149 174.700 -0.016 0.000 1.009 293 T CA -2.124 59.969 62.100 -0.012 0.000 1.051 293 T CB 0.888 69.751 68.868 -0.008 0.000 0.999 293 T HN 0.482 nan 8.240 nan 0.000 0.474 294 P HA -0.091 nan 4.420 nan 0.000 0.218 294 P C 0.681 177.973 177.300 -0.012 0.000 1.146 294 P CA 0.527 63.623 63.100 -0.007 0.000 0.820 294 P CB -0.334 31.364 31.700 -0.003 0.000 0.778 295 S N -0.674 115.018 115.700 -0.014 0.000 3.155 295 S HA -0.123 4.343 4.470 -0.007 0.000 0.459 295 S C 1.073 175.664 174.600 -0.015 0.000 1.302 295 S CA 1.005 59.196 58.200 -0.016 0.000 1.003 295 S CB -0.180 63.007 63.200 -0.022 0.000 0.627 295 S HN 0.413 nan 8.310 nan 0.000 0.404 296 T N 1.572 116.118 114.554 -0.014 0.000 4.143 296 T HA 0.291 4.637 4.350 -0.007 0.000 0.317 296 T C 0.823 175.514 174.700 -0.016 0.000 1.184 296 T CA -0.211 61.882 62.100 -0.011 0.000 0.934 296 T CB -0.288 68.575 68.868 -0.008 0.000 2.144 296 T HN 0.827 nan 8.240 nan 0.000 0.495 297 N N 2.190 120.882 118.700 -0.014 0.000 2.696 297 N HA -0.132 4.604 4.740 -0.007 0.000 0.254 297 N C -2.493 173.001 175.510 -0.028 0.000 0.988 297 N CA -0.386 52.653 53.050 -0.018 0.000 0.775 297 N CB -0.423 38.052 38.487 -0.020 0.000 0.933 297 N HN 0.361 nan 8.380 nan 0.000 0.539 298 P HA -0.007 nan 4.420 nan 0.000 0.274 298 P C 0.294 177.573 177.300 -0.034 0.000 1.231 298 P CA -0.488 62.593 63.100 -0.031 0.000 0.790 298 P CB 0.700 32.392 31.700 -0.013 0.000 0.951 299 L N 3.289 124.474 121.223 -0.064 0.000 2.640 299 L HA 0.000 4.336 4.340 -0.007 0.000 0.280 299 L C -0.933 175.930 176.870 -0.011 0.000 1.229 299 L CA 0.747 55.544 54.840 -0.071 0.000 0.919 299 L CB -0.299 41.657 42.059 -0.172 0.000 1.168 299 L HN 0.064 nan 8.230 nan 0.000 0.496 300 V N 6.794 126.712 119.914 0.008 0.000 2.350 300 V HA 0.182 4.298 4.120 -0.007 0.000 0.285 300 V C 1.193 177.316 176.094 0.048 0.000 1.014 300 V CA -0.597 61.723 62.300 0.034 0.000 0.831 300 V CB 1.196 33.034 31.823 0.024 0.000 1.000 300 V HN 0.884 nan 8.190 nan 0.000 0.433 301 E N 3.190 123.436 120.200 0.077 0.000 2.114 301 E HA -0.255 4.091 4.350 -0.007 0.000 0.199 301 E C 2.021 178.653 176.600 0.053 0.000 1.008 301 E CA 2.073 58.526 56.400 0.090 0.000 0.810 301 E CB 0.185 29.947 29.700 0.102 0.000 0.739 301 E HN 0.897 nan 8.360 nan 0.000 0.456 302 S N -0.385 115.330 115.700 0.025 0.000 2.474 302 S HA 0.009 4.475 4.470 -0.007 0.000 0.235 302 S C 1.827 176.434 174.600 0.013 0.000 0.997 302 S CA 0.678 58.879 58.200 0.001 0.000 0.949 302 S CB 0.258 63.442 63.200 -0.026 0.000 0.766 302 S HN 0.362 nan 8.310 nan 0.000 0.517 303 A N 0.740 123.575 122.820 0.025 0.000 2.238 303 A HA 0.499 4.815 4.320 -0.007 0.000 0.210 303 A C 0.727 178.336 177.584 0.042 0.000 1.179 303 A CA -0.259 51.795 52.037 0.028 0.000 0.827 303 A CB -0.302 18.711 19.000 0.023 0.000 0.856 303 A HN 0.520 nan 8.150 nan 0.000 0.488 304 L N 0.911 122.168 121.223 0.057 0.000 2.375 304 L HA 0.457 4.793 4.340 -0.007 0.000 0.271 304 L C 0.375 177.293 176.870 0.081 0.000 1.107 304 L CA -0.351 54.535 54.840 0.076 0.000 0.806 304 L CB 1.392 43.514 42.059 0.106 0.000 1.146 304 L HN 0.263 nan 8.230 nan 0.000 0.447 305 T N -2.853 111.755 114.554 0.091 0.000 2.906 305 T HA 0.473 4.819 4.350 -0.007 0.000 0.295 305 T C -0.159 174.613 174.700 0.120 0.000 1.075 305 T CA -0.942 61.221 62.100 0.105 0.000 1.005 305 T CB 1.519 70.441 68.868 0.090 0.000 1.136 305 T HN 0.631 nan 8.240 nan 0.000 0.498 306 T N 0.568 115.204 114.554 0.138 0.000 2.930 306 T HA 0.179 4.524 4.350 -0.007 0.000 0.306 306 T C 1.401 176.153 174.700 0.087 0.000 1.045 306 T CA -0.670 61.496 62.100 0.111 0.000 1.134 306 T CB 0.464 69.383 68.868 0.086 0.000 0.961 306 T HN 0.674 nan 8.240 nan 0.000 0.545 307 L N 1.524 122.797 121.223 0.082 0.000 2.089 307 L HA -0.111 4.225 4.340 -0.007 0.000 0.213 307 L C 2.254 179.146 176.870 0.038 0.000 1.079 307 L CA 1.845 56.730 54.840 0.074 0.000 0.758 307 L CB -0.653 41.431 42.059 0.041 0.000 0.891 307 L HN 0.836 nan 8.230 nan 0.000 0.433 308 E N -0.529 119.680 120.200 0.014 0.000 2.489 308 E HA 0.117 4.463 4.350 -0.007 0.000 0.193 308 E C 1.244 177.858 176.600 0.023 0.000 1.057 308 E CA 0.446 56.849 56.400 0.004 0.000 0.866 308 E CB -0.112 29.573 29.700 -0.026 0.000 0.916 308 E HN 0.668 nan 8.360 nan 0.000 0.500 309 G N 2.639 111.468 108.800 0.048 0.000 2.321 309 G HA2 -0.320 3.636 3.960 -0.007 0.000 0.287 309 G HA3 -0.320 3.636 3.960 -0.007 0.000 0.287 309 G C 0.308 175.258 174.900 0.083 0.000 1.018 309 G CA 0.651 45.794 45.100 0.071 0.000 0.855 309 G HN 0.230 nan 8.290 nan 0.000 0.507 310 T N 0.779 115.374 114.554 0.069 0.000 2.905 310 T HA 0.424 4.770 4.350 -0.007 0.000 0.299 310 T C 1.078 175.907 174.700 0.215 0.000 1.024 310 T CA 0.399 62.548 62.100 0.082 0.000 1.151 310 T CB 1.219 70.042 68.868 -0.075 0.000 0.987 310 T HN 1.428 nan 8.240 nan 0.000 0.535 311 A N 2.825 125.756 122.820 0.185 0.000 2.366 311 A HA 0.627 4.943 4.320 -0.007 0.000 0.249 311 A C 0.901 178.654 177.584 0.281 0.000 1.084 311 A CA -0.457 51.704 52.037 0.206 0.000 0.794 311 A CB -0.141 18.948 19.000 0.148 0.000 1.034 311 A HN 1.184 nan 8.150 nan 0.000 0.491 312 A N 2.579 125.532 122.820 0.221 0.000 2.531 312 A HA 0.481 4.797 4.320 -0.007 0.000 0.236 312 A C -1.814 175.880 177.584 0.183 0.000 1.062 312 A CA -0.751 51.395 52.037 0.181 0.000 0.760 312 A CB -0.725 18.386 19.000 0.185 0.000 0.995 312 A HN 0.694 nan 8.150 nan 0.000 0.501 313 P HA 0.387 nan 4.420 nan 0.000 0.268 313 P C 0.651 177.989 177.300 0.063 0.000 1.208 313 P CA 1.355 64.517 63.100 0.102 0.000 0.777 313 P CB 0.468 32.214 31.700 0.076 0.000 0.875 314 G N 1.416 110.232 108.800 0.027 0.000 2.582 314 G HA2 -0.010 3.946 3.960 -0.007 0.000 0.222 314 G HA3 -0.010 3.946 3.960 -0.007 0.000 0.222 314 G C -0.693 174.191 174.900 -0.027 0.000 1.311 314 G CA -0.183 44.911 45.100 -0.010 0.000 0.915 314 G HN 0.786 nan 8.290 nan 0.000 0.528 315 S N 0.532 116.181 115.700 -0.084 0.000 2.608 315 S HA 0.739 5.205 4.470 -0.007 0.000 0.291 315 S C -2.209 172.201 174.600 -0.317 0.000 1.146 315 S CA -0.908 57.210 58.200 -0.136 0.000 1.043 315 S CB 2.391 65.518 63.200 -0.121 0.000 1.037 315 S HN 0.812 nan 8.310 nan 0.000 0.520 316 P HA 0.296 nan 4.420 nan 0.000 0.237 316 P C -0.724 175.965 177.300 -1.017 0.000 1.701 316 P CA 0.272 62.886 63.100 -0.810 0.000 0.955 316 P CB -0.917 30.624 31.700 -0.264 0.000 1.937 317 A N 1.378 123.587 122.820 -1.019 0.000 2.566 317 A HA 0.604 4.920 4.320 -0.007 0.000 0.297 317 A C -3.071 174.282 177.584 -0.385 0.000 1.059 317 A CA -1.788 49.909 52.037 -0.567 0.000 0.691 317 A CB 0.707 19.527 19.000 -0.300 0.000 1.282 317 A HN -0.083 nan 8.150 nan 0.000 0.401 318 P HA 0.250 nan 4.420 nan 0.000 0.258 318 P C 1.137 178.365 177.300 -0.120 0.000 1.172 318 P CA 2.490 65.496 63.100 -0.158 0.000 0.762 318 P CB 0.428 31.993 31.700 -0.226 0.000 0.764 319 G N 2.913 111.667 108.800 -0.076 0.000 2.179 319 G HA2 -0.229 3.727 3.960 -0.007 0.000 0.260 319 G HA3 -0.229 3.727 3.960 -0.007 0.000 0.260 319 G C 0.824 175.675 174.900 -0.080 0.000 0.977 319 G CA -0.086 44.972 45.100 -0.070 0.000 0.641 319 G HN 0.847 nan 8.290 nan 0.000 0.533 320 G N 0.156 108.892 108.800 -0.107 0.000 3.180 320 G HA2 0.577 4.533 3.960 -0.007 0.000 0.252 320 G HA3 0.577 4.533 3.960 -0.007 0.000 0.252 320 G C 0.493 175.342 174.900 -0.084 0.000 0.871 320 G CA 1.077 46.107 45.100 -0.116 0.000 1.979 320 G HN 1.718 nan 8.290 nan 0.000 0.624 321 V N -3.800 116.071 119.914 -0.071 0.000 3.112 321 V HA 0.512 4.628 4.120 -0.007 0.000 0.310 321 V C 0.270 176.326 176.094 -0.064 0.000 1.364 321 V CA -0.834 61.424 62.300 -0.070 0.000 1.058 321 V CB 1.470 33.242 31.823 -0.085 0.000 1.079 321 V HN 0.065 nan 8.190 nan 0.000 0.463 322 D N -0.231 120.127 120.400 -0.069 0.000 2.183 322 D HA 0.190 4.826 4.640 -0.007 0.000 0.205 322 D C 0.050 176.321 176.300 -0.050 0.000 0.962 322 D CA 1.532 55.500 54.000 -0.053 0.000 0.849 322 D CB 0.840 41.612 40.800 -0.047 0.000 0.978 322 D HN 0.352 nan 8.370 nan 0.000 0.488 323 L N 0.096 121.276 121.223 -0.071 0.000 2.470 323 L HA 0.546 4.882 4.340 -0.007 0.000 0.268 323 L C -1.701 175.122 176.870 -0.078 0.000 0.964 323 L CA -0.767 54.039 54.840 -0.057 0.000 0.839 323 L CB 1.965 44.000 42.059 -0.040 0.000 1.276 323 L HN -0.161 nan 8.230 nan 0.000 0.403 324 A N 5.979 128.766 122.820 -0.054 0.000 2.318 324 A HA 0.878 5.194 4.320 -0.007 0.000 0.324 324 A C -1.433 176.124 177.584 -0.045 0.000 1.170 324 A CA -0.463 51.539 52.037 -0.059 0.000 0.810 324 A CB 0.847 19.818 19.000 -0.049 0.000 1.198 324 A HN 0.692 nan 8.150 nan 0.000 0.484 325 L N 1.848 123.032 121.223 -0.066 0.000 2.401 325 L HA 0.495 4.831 4.340 -0.007 0.000 0.266 325 L C -0.500 176.312 176.870 -0.096 0.000 0.991 325 L CA -0.805 53.994 54.840 -0.070 0.000 0.818 325 L CB 2.471 44.460 42.059 -0.116 0.000 1.321 325 L HN 0.818 nan 8.230 nan 0.000 0.413 326 N N 2.643 121.294 118.700 -0.082 0.000 2.372 326 N HA 0.501 5.237 4.740 -0.007 0.000 0.285 326 N C -1.108 174.330 175.510 -0.120 0.000 1.008 326 N CA -0.517 52.467 53.050 -0.110 0.000 0.880 326 N CB 1.204 39.642 38.487 -0.081 0.000 1.239 326 N HN 0.394 nan 8.380 nan 0.000 0.484 327 M N 2.777 122.261 119.600 -0.194 0.000 2.055 327 M HA 0.376 4.852 4.480 -0.007 0.000 0.347 327 M C -0.476 175.683 176.300 -0.235 0.000 1.123 327 M CA -0.811 54.394 55.300 -0.159 0.000 1.035 327 M CB 0.326 32.824 32.600 -0.170 0.000 1.484 327 M HN 0.606 nan 8.290 nan 0.000 0.428 328 A N 5.631 128.424 122.820 -0.045 0.000 2.310 328 A HA 0.609 4.925 4.320 -0.007 0.000 0.300 328 A C -0.318 177.396 177.584 0.216 0.000 1.269 328 A CA -0.434 51.585 52.037 -0.030 0.000 0.909 328 A CB -0.186 18.828 19.000 0.023 0.000 1.144 328 A HN 0.762 nan 8.150 nan 0.000 0.540 329 F N 1.900 121.923 119.950 0.121 0.000 2.418 329 F HA 0.520 5.043 4.527 -0.007 0.000 0.341 329 F C 1.303 177.200 175.800 0.161 0.000 1.120 329 F CA 0.246 58.389 58.000 0.240 0.000 1.232 329 F CB 1.429 40.610 39.000 0.301 0.000 1.175 329 F HN 0.691 nan 8.300 nan 0.000 0.569 330 G N 1.513 110.525 108.800 0.353 0.000 2.559 330 G HA2 0.520 4.476 3.960 -0.007 0.000 0.291 330 G HA3 0.520 4.476 3.960 -0.007 0.000 0.291 330 G C -2.486 172.484 174.900 0.117 0.000 1.424 330 G CA -0.631 44.586 45.100 0.195 0.000 0.786 330 G HN 0.482 nan 8.290 nan 0.000 0.485 331 F N 0.961 120.828 119.950 -0.139 0.000 2.941 331 F HA 0.628 5.152 4.527 -0.005 0.000 0.359 331 F C 0.585 176.281 175.800 -0.173 0.000 1.231 331 F CA 0.004 57.827 58.000 -0.294 0.000 1.089 331 F CB 1.293 39.997 39.000 -0.494 0.000 1.407 331 F HN 0.814 nan 8.300 nan 0.000 0.538 332 A N 4.400 127.015 122.820 -0.342 0.000 2.712 332 A HA 0.502 4.818 4.320 -0.007 0.000 0.211 332 A C 1.741 179.142 177.584 -0.305 0.000 1.877 332 A CA 0.817 52.726 52.037 -0.214 0.000 0.686 332 A CB -1.325 17.593 19.000 -0.137 0.000 1.308 332 A HN 0.846 nan 8.150 nan 0.000 0.498 333 G N -1.116 107.487 108.800 -0.327 0.000 2.434 333 G HA2 0.258 4.214 3.960 -0.007 0.000 0.150 333 G HA3 0.258 4.214 3.960 -0.007 0.000 0.150 333 G C 0.969 175.673 174.900 -0.326 0.000 1.744 333 G CA 0.698 45.653 45.100 -0.242 0.000 0.973 333 G HN 1.232 nan 8.290 nan 0.000 0.397 334 G N -0.263 108.369 108.800 -0.280 0.000 3.591 334 G HA2 0.443 4.399 3.960 -0.007 0.000 0.282 334 G HA3 0.443 4.399 3.960 -0.007 0.000 0.282 334 G C 0.067 174.617 174.900 -0.583 0.000 1.238 334 G CA -0.206 44.761 45.100 -0.222 0.000 0.993 334 G HN 0.199 nan 8.290 nan 0.000 0.542 335 K N 0.560 120.293 120.400 -1.112 0.000 2.397 335 K HA 0.397 4.713 4.320 -0.007 0.000 0.253 335 K C -0.815 175.266 176.600 -0.864 0.000 0.932 335 K CA -0.972 54.911 56.287 -0.673 0.000 0.795 335 K CB 1.875 34.205 32.500 -0.285 0.000 1.159 335 K HN 0.059 nan 8.250 nan 0.000 0.424 336 F N 0.620 120.365 119.950 -0.342 0.000 2.496 336 F HA 0.174 4.697 4.527 -0.007 0.000 0.344 336 F C 1.392 177.145 175.800 -0.079 0.000 1.155 336 F CA 0.688 58.540 58.000 -0.246 0.000 1.302 336 F CB 0.894 39.594 39.000 -0.501 0.000 1.159 336 F HN 0.227 nan 8.300 nan 0.000 0.595 337 T N 3.782 118.443 114.554 0.178 0.000 2.921 337 T HA 0.619 4.965 4.350 -0.007 0.000 0.297 337 T C -0.937 174.006 174.700 0.405 0.000 1.013 337 T CA -0.555 61.686 62.100 0.234 0.000 0.990 337 T CB 0.582 69.511 68.868 0.101 0.000 1.023 337 T HN 0.393 nan 8.240 nan 0.000 0.447 338 I N 4.951 125.772 120.570 0.420 0.000 2.411 338 I HA 0.340 4.506 4.170 -0.007 0.000 0.284 338 I C 0.107 176.421 176.117 0.328 0.000 1.012 338 I CA -0.765 60.803 61.300 0.447 0.000 1.119 338 I CB 1.418 39.689 38.000 0.452 0.000 1.261 338 I HN 0.674 nan 8.210 nan 0.000 0.448 339 N N 5.013 123.874 118.700 0.268 0.000 2.714 339 N HA -0.211 4.525 4.740 -0.007 0.000 0.250 339 N C 0.851 176.463 175.510 0.170 0.000 1.117 339 N CA 1.463 54.635 53.050 0.204 0.000 0.719 339 N CB -0.969 37.664 38.487 0.243 0.000 1.081 339 N HN 1.154 nan 8.380 nan 0.000 0.557 340 G N -2.765 106.133 108.800 0.163 0.000 2.213 340 G HA2 0.015 3.971 3.960 -0.007 0.000 0.226 340 G HA3 0.015 3.971 3.960 -0.007 0.000 0.226 340 G C 0.054 175.018 174.900 0.106 0.000 0.992 340 G CA 0.484 45.651 45.100 0.113 0.000 0.632 340 G HN 1.184 nan 8.290 nan 0.000 0.511 341 A N -0.223 122.688 122.820 0.151 0.000 2.342 341 A HA 0.879 5.195 4.320 -0.007 0.000 0.323 341 A C 0.015 177.715 177.584 0.194 0.000 1.125 341 A CA 0.522 52.646 52.037 0.144 0.000 0.785 341 A CB 1.789 20.879 19.000 0.150 0.000 1.221 341 A HN 1.348 nan 8.150 nan 0.000 0.463 342 S N 1.301 117.091 115.700 0.151 0.000 2.454 342 S HA 0.583 5.049 4.470 -0.007 0.000 0.306 342 S C -0.836 173.893 174.600 0.215 0.000 1.100 342 S CA -0.430 57.881 58.200 0.186 0.000 1.087 342 S CB 0.226 63.478 63.200 0.087 0.000 1.019 342 S HN 0.609 nan 8.310 nan 0.000 0.480 343 F N 5.124 125.175 119.950 0.168 0.000 2.506 343 F HA 0.383 4.906 4.527 -0.006 0.000 0.371 343 F C 0.798 176.671 175.800 0.122 0.000 1.078 343 F CA 0.181 58.282 58.000 0.168 0.000 1.195 343 F CB 0.662 39.801 39.000 0.231 0.000 1.099 343 F HN 0.540 nan 8.300 nan 0.000 0.548 344 T N 5.757 120.096 114.554 -0.358 0.000 2.807 344 T HA 0.517 4.863 4.350 -0.007 0.000 0.279 344 T C -2.934 171.418 174.700 -0.579 0.000 0.993 344 T CA -2.548 59.389 62.100 -0.271 0.000 0.970 344 T CB 1.574 70.334 68.868 -0.180 0.000 0.950 344 T HN 0.331 nan 8.240 nan 0.000 0.441 345 P HA 0.212 nan 4.420 nan 0.000 0.262 345 P C -2.324 174.725 177.300 -0.419 0.000 1.199 345 P CA -0.930 62.000 63.100 -0.284 0.000 0.763 345 P CB -0.392 31.177 31.700 -0.219 0.000 0.790 346 P HA 0.075 nan 4.420 nan 0.000 0.274 346 P C 0.883 178.047 177.300 -0.227 0.000 1.231 346 P CA -0.059 62.905 63.100 -0.227 0.000 0.790 346 P CB 0.570 32.201 31.700 -0.115 0.000 0.951 347 T N 0.292 114.754 114.554 -0.154 0.000 2.720 347 T HA -0.030 4.316 4.350 -0.007 0.000 0.268 347 T C 0.914 175.656 174.700 0.069 0.000 1.037 347 T CA 1.130 63.190 62.100 -0.067 0.000 1.144 347 T CB -0.196 68.648 68.868 -0.040 0.000 0.864 347 T HN 0.229 nan 8.240 nan 0.000 0.444 348 V N 3.653 123.594 119.914 0.045 0.000 2.370 348 V HA 0.298 4.414 4.120 -0.007 0.000 0.279 348 V C -2.368 173.780 176.094 0.090 0.000 1.029 348 V CA -2.476 59.861 62.300 0.063 0.000 0.870 348 V CB 1.209 33.049 31.823 0.029 0.000 0.984 348 V HN 0.111 nan 8.190 nan 0.000 0.451 349 P HA 0.026 nan 4.420 nan 0.000 0.265 349 P C 1.167 178.515 177.300 0.080 0.000 1.187 349 P CA 0.147 63.309 63.100 0.103 0.000 0.766 349 P CB 0.613 32.335 31.700 0.036 0.000 0.820 350 V N 2.915 122.861 119.914 0.054 0.000 2.380 350 V HA -0.256 3.860 4.120 -0.007 0.000 0.251 350 V C 2.175 178.284 176.094 0.025 0.000 1.063 350 V CA 1.929 64.247 62.300 0.030 0.000 1.055 350 V CB -1.146 30.684 31.823 0.011 0.000 0.657 350 V HN 0.526 nan 8.190 nan 0.000 0.455 351 L N -0.424 120.820 121.223 0.035 0.000 2.056 351 L HA -0.101 4.235 4.340 -0.007 0.000 0.207 351 L C 2.183 179.135 176.870 0.137 0.000 1.078 351 L CA 1.808 56.673 54.840 0.042 0.000 0.749 351 L CB -0.637 41.442 42.059 0.033 0.000 0.901 351 L HN 0.273 nan 8.230 nan 0.000 0.433 352 L N -0.353 121.031 121.223 0.267 0.000 2.046 352 L HA -0.236 4.100 4.340 -0.007 0.000 0.208 352 L C 2.511 179.457 176.870 0.127 0.000 1.077 352 L CA 1.821 56.826 54.840 0.276 0.000 0.747 352 L CB -0.853 41.325 42.059 0.198 0.000 0.896 352 L HN 0.458 nan 8.230 nan 0.000 0.432 353 Q N -0.542 119.307 119.800 0.081 0.000 2.045 353 Q HA -0.262 4.074 4.340 -0.007 0.000 0.206 353 Q C 2.269 178.293 176.000 0.040 0.000 0.991 353 Q CA 2.427 58.258 55.803 0.047 0.000 0.851 353 Q CB -0.386 28.371 28.738 0.032 0.000 0.911 353 Q HN 0.568 nan 8.270 nan 0.000 0.418 354 I N 0.580 121.170 120.570 0.033 0.000 2.163 354 I HA -0.298 3.868 4.170 -0.007 0.000 0.243 354 I C 2.180 178.309 176.117 0.021 0.000 1.085 354 I CA 1.123 62.433 61.300 0.017 0.000 1.347 354 I CB -0.286 37.712 38.000 -0.004 0.000 1.044 354 I HN 0.218 nan 8.210 nan 0.000 0.408 355 L N -0.308 120.936 121.223 0.035 0.000 2.201 355 L HA -0.141 4.195 4.340 -0.007 0.000 0.212 355 L C 2.255 179.152 176.870 0.045 0.000 1.105 355 L CA 0.977 55.839 54.840 0.036 0.000 0.775 355 L CB -0.523 41.569 42.059 0.055 0.000 0.913 355 L HN 0.163 nan 8.230 nan 0.000 0.440 356 S N -0.448 115.283 115.700 0.052 0.000 2.603 356 S HA 0.158 4.624 4.470 -0.007 0.000 0.220 356 S C 1.391 176.006 174.600 0.026 0.000 0.967 356 S CA 0.759 58.983 58.200 0.041 0.000 0.920 356 S CB 0.383 63.608 63.200 0.041 0.000 0.773 356 S HN 0.680 nan 8.310 nan 0.000 0.529 357 G N 0.844 109.658 108.800 0.023 0.000 2.192 357 G HA2 -0.096 3.860 3.960 -0.007 0.000 0.193 357 G HA3 -0.096 3.860 3.960 -0.007 0.000 0.193 357 G C 0.139 175.047 174.900 0.014 0.000 0.999 357 G CA -0.324 44.786 45.100 0.016 0.000 0.659 357 G HN 0.755 nan 8.290 nan 0.000 0.503 358 A N -0.071 122.758 122.820 0.015 0.000 2.511 358 A HA 0.597 4.913 4.320 -0.007 0.000 0.242 358 A C 1.032 178.624 177.584 0.014 0.000 1.069 358 A CA 1.279 53.323 52.037 0.013 0.000 0.763 358 A CB 0.253 19.261 19.000 0.013 0.000 1.001 358 A HN 0.532 nan 8.150 nan 0.000 0.498 359 Q N 0.380 120.188 119.800 0.013 0.000 2.214 359 Q HA 0.181 4.517 4.340 -0.007 0.000 0.229 359 Q C 0.008 176.018 176.000 0.018 0.000 0.835 359 Q CA 0.576 56.388 55.803 0.015 0.000 0.953 359 Q CB 0.591 29.337 28.738 0.013 0.000 1.131 359 Q HN 0.921 nan 8.270 nan 0.000 0.501 360 S N -2.109 113.601 115.700 0.016 0.000 2.596 360 S HA 0.621 5.087 4.470 -0.007 0.000 0.270 360 S C 0.438 175.045 174.600 0.013 0.000 1.155 360 S CA -0.354 57.856 58.200 0.016 0.000 0.827 360 S CB 1.189 64.395 63.200 0.010 0.000 1.130 360 S HN 0.021 nan 8.310 nan 0.000 0.467 361 A N 0.570 123.396 122.820 0.011 0.000 2.032 361 A HA -0.139 4.177 4.320 -0.007 0.000 0.221 361 A C 2.027 179.596 177.584 -0.025 0.000 1.165 361 A CA 1.953 53.986 52.037 -0.007 0.000 0.645 361 A CB -0.961 18.016 19.000 -0.037 0.000 0.807 361 A HN 0.854 nan 8.150 nan 0.000 0.453 362 Q N -0.845 118.942 119.800 -0.021 0.000 2.245 362 Q HA -0.142 4.194 4.340 -0.007 0.000 0.201 362 Q C 0.625 176.615 176.000 -0.015 0.000 0.955 362 Q CA 1.263 57.052 55.803 -0.024 0.000 0.870 362 Q CB 0.004 28.730 28.738 -0.020 0.000 0.945 362 Q HN 0.622 nan 8.270 nan 0.000 0.461 363 D N 0.077 120.473 120.400 -0.007 0.000 2.323 363 D HA 0.040 4.676 4.640 -0.007 0.000 0.209 363 D C 0.186 176.484 176.300 -0.004 0.000 0.973 363 D CA 0.346 54.343 54.000 -0.005 0.000 0.874 363 D CB 0.216 41.017 40.800 0.001 0.000 0.930 363 D HN 0.223 nan 8.370 nan 0.000 0.521 364 L N 1.443 122.665 121.223 -0.001 0.000 2.367 364 L HA 0.198 4.534 4.340 -0.007 0.000 0.275 364 L C 0.309 177.175 176.870 -0.005 0.000 1.129 364 L CA -0.248 54.595 54.840 0.006 0.000 0.839 364 L CB 1.054 43.126 42.059 0.023 0.000 1.133 364 L HN -0.231 nan 8.230 nan 0.000 0.453 365 L N 5.435 126.649 121.223 -0.014 0.000 2.325 365 L HA 0.484 4.820 4.340 -0.007 0.000 0.279 365 L C -2.097 174.736 176.870 -0.061 0.000 1.054 365 L CA -1.914 52.900 54.840 -0.044 0.000 0.804 365 L CB 1.617 43.641 42.059 -0.058 0.000 1.200 365 L HN 0.367 nan 8.230 nan 0.000 0.436 366 P HA 0.144 nan 4.420 nan 0.000 0.284 366 P C -0.784 176.483 177.300 -0.054 0.000 1.253 366 P CA -0.515 62.501 63.100 -0.141 0.000 0.800 366 P CB 1.154 32.679 31.700 -0.291 0.000 0.961 367 S N 1.468 117.140 115.700 -0.047 0.000 2.546 367 S HA 0.335 4.801 4.470 -0.007 0.000 0.290 367 S C 1.602 176.195 174.600 -0.011 0.000 1.290 367 S CA 0.738 58.920 58.200 -0.029 0.000 1.069 367 S CB -0.519 62.663 63.200 -0.030 0.000 0.846 367 S HN 0.948 nan 8.310 nan 0.000 0.495 368 G N 2.305 111.091 108.800 -0.023 0.000 2.199 368 G HA2 -0.299 3.657 3.960 -0.007 0.000 0.254 368 G HA3 -0.299 3.657 3.960 -0.007 0.000 0.254 368 G C 0.774 175.707 174.900 0.055 0.000 0.982 368 G CA 0.348 45.441 45.100 -0.012 0.000 0.632 368 G HN 0.686 nan 8.290 nan 0.000 0.529 369 S N -0.886 114.882 115.700 0.113 0.000 2.511 369 S HA 0.431 4.897 4.470 -0.007 0.000 0.214 369 S C 0.675 175.473 174.600 0.331 0.000 0.997 369 S CA 0.615 58.996 58.200 0.302 0.000 0.908 369 S CB 1.047 64.509 63.200 0.437 0.000 0.803 369 S HN 0.543 nan 8.310 nan 0.000 0.504 370 V N 2.105 122.094 119.914 0.124 0.000 2.435 370 V HA 0.450 4.566 4.120 -0.007 0.000 0.290 370 V C -1.223 174.833 176.094 -0.064 0.000 1.030 370 V CA -0.736 61.652 62.300 0.147 0.000 0.881 370 V CB 0.785 32.672 31.823 0.108 0.000 0.983 370 V HN 0.302 nan 8.190 nan 0.000 0.445 371 Y N 1.861 122.242 120.300 0.135 0.000 2.328 371 Y HA 0.456 5.002 4.550 -0.006 0.000 0.336 371 Y C 0.690 176.656 175.900 0.111 0.000 0.960 371 Y CA -0.224 57.945 58.100 0.116 0.000 1.134 371 Y CB 2.105 40.640 38.460 0.124 0.000 1.166 371 Y HN 0.607 nan 8.280 nan 0.000 0.464 372 S N 4.536 120.341 115.700 0.175 0.000 2.545 372 S HA 0.571 5.036 4.470 -0.007 0.000 0.275 372 S C -0.753 173.945 174.600 0.164 0.000 1.299 372 S CA -0.451 57.835 58.200 0.143 0.000 1.048 372 S CB 0.053 63.303 63.200 0.083 0.000 0.938 372 S HN 0.565 nan 8.310 nan 0.000 0.496 373 L N 6.681 128.000 121.223 0.160 0.000 2.362 373 L HA 0.543 4.879 4.340 -0.007 0.000 0.275 373 L C -2.132 174.807 176.870 0.114 0.000 0.998 373 L CA -2.193 52.733 54.840 0.142 0.000 0.820 373 L CB 2.272 44.446 42.059 0.192 0.000 1.270 373 L HN 0.515 nan 8.230 nan 0.000 0.415 374 P HA 0.238 nan 4.420 nan 0.000 0.276 374 P C -0.784 176.562 177.300 0.076 0.000 1.252 374 P CA -0.472 62.668 63.100 0.066 0.000 0.802 374 P CB 1.231 32.955 31.700 0.041 0.000 1.035 375 A N 1.764 124.630 122.820 0.077 0.000 2.407 375 A HA 0.188 4.504 4.320 -0.007 0.000 0.248 375 A C 0.661 178.284 177.584 0.065 0.000 1.082 375 A CA -0.342 51.748 52.037 0.088 0.000 0.785 375 A CB -0.846 18.206 19.000 0.086 0.000 1.020 375 A HN 0.722 nan 8.150 nan 0.000 0.489 376 N N -1.232 117.512 118.700 0.073 0.000 2.705 376 N HA -0.187 4.549 4.740 -0.007 0.000 0.255 376 N C -0.145 175.378 175.510 0.022 0.000 1.008 376 N CA 1.176 54.256 53.050 0.050 0.000 0.742 376 N CB -1.345 37.170 38.487 0.047 0.000 0.906 376 N HN 1.181 nan 8.380 nan 0.000 0.541 377 A N -0.014 122.808 122.820 0.004 0.000 2.423 377 A HA 0.604 4.920 4.320 -0.007 0.000 0.304 377 A C -0.582 176.950 177.584 -0.086 0.000 1.104 377 A CA -0.757 51.260 52.037 -0.034 0.000 0.757 377 A CB 1.436 20.414 19.000 -0.036 0.000 1.313 377 A HN 0.085 nan 8.150 nan 0.000 0.423 378 D N 1.684 122.026 120.400 -0.096 0.000 2.249 378 D HA 0.454 5.090 4.640 -0.007 0.000 0.246 378 D C -0.323 175.846 176.300 -0.219 0.000 1.114 378 D CA 0.323 54.240 54.000 -0.138 0.000 0.854 378 D CB 1.110 41.863 40.800 -0.078 0.000 1.132 378 D HN 0.283 nan 8.370 nan 0.000 0.461 379 I N 1.212 121.540 120.570 -0.403 0.000 2.474 379 I HA 0.298 4.464 4.170 -0.007 0.000 0.294 379 I C 0.278 176.147 176.117 -0.413 0.000 1.005 379 I CA -0.689 60.314 61.300 -0.494 0.000 1.113 379 I CB 1.939 39.402 38.000 -0.896 0.000 1.289 379 I HN 0.301 nan 8.210 nan 0.000 0.436 380 E N 6.331 126.390 120.200 -0.235 0.000 2.176 380 E HA 0.625 4.971 4.350 -0.007 0.000 0.267 380 E C -1.536 174.998 176.600 -0.110 0.000 0.893 380 E CA -0.528 55.792 56.400 -0.133 0.000 0.761 380 E CB 1.879 31.542 29.700 -0.061 0.000 1.133 380 E HN 0.503 nan 8.360 nan 0.000 0.409 381 I N 3.678 124.196 120.570 -0.086 0.000 2.436 381 I HA 0.256 4.422 4.170 -0.007 0.000 0.289 381 I C -0.476 175.564 176.117 -0.128 0.000 1.010 381 I CA -0.719 60.519 61.300 -0.104 0.000 1.098 381 I CB 1.941 39.892 38.000 -0.082 0.000 1.266 381 I HN 0.471 nan 8.210 nan 0.000 0.434 382 S N 6.798 122.414 115.700 -0.139 0.000 2.501 382 S HA 0.808 5.274 4.470 -0.007 0.000 0.301 382 S C -0.662 173.782 174.600 -0.260 0.000 1.096 382 S CA -0.746 57.361 58.200 -0.156 0.000 1.063 382 S CB 1.837 64.979 63.200 -0.097 0.000 1.042 382 S HN 0.498 nan 8.310 nan 0.000 0.494 383 L N 2.347 123.377 121.223 -0.321 0.000 2.502 383 L HA 0.390 4.726 4.340 -0.007 0.000 0.249 383 L C -2.616 173.921 176.870 -0.555 0.000 1.446 383 L CA -1.479 53.032 54.840 -0.549 0.000 0.887 383 L CB 1.395 43.178 42.059 -0.460 0.000 1.126 383 L HN 0.482 nan 8.230 nan 0.000 0.509 384 P HA 0.081 nan 4.420 nan 0.000 0.267 384 P C 0.176 177.282 177.300 -0.324 0.000 1.209 384 P CA 0.103 63.013 63.100 -0.316 0.000 0.763 384 P CB 1.102 32.659 31.700 -0.237 0.000 0.816 385 A N 3.642 126.384 122.820 -0.130 0.000 2.531 385 A HA 0.368 4.684 4.320 -0.007 0.000 0.236 385 A C 0.596 178.155 177.584 -0.042 0.000 1.062 385 A CA 0.727 52.770 52.037 0.010 0.000 0.760 385 A CB -0.422 18.587 19.000 0.014 0.000 0.995 385 A HN 0.596 nan 8.150 nan 0.000 0.501 386 T N 0.168 114.739 114.554 0.028 0.000 3.012 386 T HA 0.488 4.834 4.350 -0.007 0.000 0.330 386 T C 0.512 175.161 174.700 -0.085 0.000 1.321 386 T CA 0.240 62.312 62.100 -0.046 0.000 1.067 386 T CB 1.110 69.999 68.868 0.035 0.000 1.235 386 T HN 1.512 nan 8.240 nan 0.000 0.479 387 A N 2.646 125.334 122.820 -0.220 0.000 2.209 387 A HA 0.428 4.744 4.320 -0.007 0.000 0.212 387 A C 2.311 179.960 177.584 0.110 0.000 1.158 387 A CA 1.437 53.411 52.037 -0.104 0.000 0.742 387 A CB -0.721 18.239 19.000 -0.066 0.000 0.790 387 A HN 1.214 nan 8.150 nan 0.000 0.472 388 A N -0.581 122.289 122.820 0.084 0.000 2.178 388 A HA 0.360 4.676 4.320 -0.007 0.000 0.218 388 A C 1.291 178.948 177.584 0.121 0.000 1.157 388 A CA 1.186 53.281 52.037 0.097 0.000 0.689 388 A CB -0.470 18.589 19.000 0.099 0.000 0.787 388 A HN 1.125 nan 8.150 nan 0.000 0.465 389 A N 0.768 123.723 122.820 0.225 0.000 2.328 389 A HA 0.633 4.949 4.320 -0.007 0.000 0.318 389 A C -2.869 174.986 177.584 0.451 0.000 1.347 389 A CA -1.836 50.356 52.037 0.258 0.000 0.842 389 A CB 0.508 19.695 19.000 0.311 0.000 1.148 389 A HN 0.138 nan 8.150 nan 0.000 0.499 390 P HA 0.312 nan 4.420 nan 0.000 0.269 390 P C 1.001 178.413 177.300 0.187 0.000 1.215 390 P CA 1.487 64.627 63.100 0.066 0.000 0.780 390 P CB 0.740 32.236 31.700 -0.340 0.000 0.898 391 G N 0.881 109.654 108.800 -0.045 0.000 2.136 391 G HA2 -0.231 3.725 3.960 -0.007 0.000 0.242 391 G HA3 -0.231 3.725 3.960 -0.007 0.000 0.242 391 G C 0.037 174.741 174.900 -0.328 0.000 0.989 391 G CA -0.058 44.988 45.100 -0.089 0.000 0.682 391 G HN 0.579 nan 8.290 nan 0.000 0.522 392 F N 0.362 120.129 119.950 -0.306 0.000 2.539 392 F HA 0.599 5.122 4.527 -0.006 0.000 0.340 392 F C -1.094 174.681 175.800 -0.043 0.000 1.185 392 F CA -2.466 55.356 58.000 -0.297 0.000 1.333 392 F CB -0.627 38.457 39.000 0.140 0.000 1.152 392 F HN 0.053 nan 8.300 nan 0.000 0.602 393 P HA 0.020 nan 4.420 nan 0.000 0.270 393 P C -0.974 176.464 177.300 0.231 0.000 1.242 393 P CA 0.214 63.513 63.100 0.331 0.000 0.768 393 P CB 0.196 32.113 31.700 0.362 0.000 0.820 394 H N 5.350 124.666 119.070 0.409 0.000 2.723 394 H HA 0.178 4.731 4.556 -0.005 0.000 0.294 394 H C -1.939 173.562 175.328 0.288 0.000 1.079 394 H CA -1.849 54.427 56.048 0.380 0.000 1.411 394 H CB 0.551 30.612 29.762 0.500 0.000 1.439 394 H HN 0.309 nan 8.280 nan 0.000 0.474 395 P HA 0.085 nan 4.420 nan 0.000 0.277 395 P C -0.393 176.996 177.300 0.149 0.000 1.354 395 P CA -0.212 62.998 63.100 0.183 0.000 0.891 395 P CB -0.277 31.535 31.700 0.186 0.000 1.058 396 F N 3.084 123.055 119.950 0.034 0.000 2.418 396 F HA 0.306 4.828 4.527 -0.008 0.000 0.341 396 F C 1.313 177.164 175.800 0.084 0.000 1.120 396 F CA 0.613 58.588 58.000 -0.042 0.000 1.232 396 F CB 0.556 39.482 39.000 -0.124 0.000 1.175 396 F HN 0.394 nan 8.300 nan 0.000 0.569 397 H N 3.293 122.318 119.070 -0.076 0.000 2.667 397 H HA 0.551 5.104 4.556 -0.006 0.000 0.353 397 H C -1.868 173.487 175.328 0.045 0.000 1.072 397 H CA -1.067 55.002 56.048 0.035 0.000 1.214 397 H CB 1.520 31.273 29.762 -0.015 0.000 1.600 397 H HN 0.545 nan 8.280 nan 0.000 0.527 398 L N 5.905 126.991 121.223 -0.229 0.000 2.305 398 L HA 0.350 4.686 4.340 -0.007 0.000 0.284 398 L C -0.586 176.041 176.870 -0.405 0.000 1.013 398 L CA -0.239 54.472 54.840 -0.216 0.000 0.819 398 L CB 0.557 42.558 42.059 -0.097 0.000 1.227 398 L HN 0.772 nan 8.230 nan 0.000 0.417 399 H N 3.783 122.637 119.070 -0.361 0.000 2.757 399 H HA 0.206 4.758 4.556 -0.007 0.000 0.370 399 H C 1.030 176.150 175.328 -0.347 0.000 1.172 399 H CA 0.779 56.739 56.048 -0.147 0.000 1.426 399 H CB 0.889 30.774 29.762 0.206 0.000 1.438 399 H HN 0.977 nan 8.280 nan 0.000 0.612 400 G N 1.302 109.763 108.800 -0.565 0.000 2.189 400 G HA2 -0.239 3.717 3.960 -0.007 0.000 0.267 400 G HA3 -0.239 3.717 3.960 -0.007 0.000 0.267 400 G C 0.027 174.109 174.900 -1.363 0.000 0.975 400 G CA 0.531 44.667 45.100 -1.608 0.000 0.644 400 G HN 0.808 nan 8.290 nan 0.000 0.537 401 H N -1.293 117.480 119.070 -0.496 0.000 3.046 401 H HA 0.521 5.073 4.556 -0.007 0.000 0.361 401 H C -0.907 174.300 175.328 -0.201 0.000 1.235 401 H CA -0.015 55.724 56.048 -0.516 0.000 1.146 401 H CB 1.531 30.980 29.762 -0.521 0.000 1.859 401 H HN 0.110 nan 8.280 nan 0.000 0.548 402 T N 2.509 117.040 114.554 -0.040 0.000 2.895 402 T HA 0.512 4.858 4.350 -0.007 0.000 0.283 402 T C -0.664 174.084 174.700 0.081 0.000 1.014 402 T CA -0.590 61.515 62.100 0.008 0.000 1.037 402 T CB 0.212 69.199 68.868 0.199 0.000 1.006 402 T HN 0.341 nan 8.240 nan 0.000 0.468 403 F N 0.615 120.652 119.950 0.145 0.000 2.577 403 F HA 0.861 5.383 4.527 -0.008 0.000 0.318 403 F C -0.067 175.575 175.800 -0.263 0.000 1.065 403 F CA -2.079 55.948 58.000 0.045 0.000 0.929 403 F CB 0.591 39.595 39.000 0.008 0.000 1.237 403 F HN 0.556 nan 8.300 nan 0.000 0.468 404 A N 1.551 124.083 122.820 -0.480 0.000 2.454 404 A HA 0.522 4.838 4.320 -0.007 0.000 0.260 404 A C -0.418 177.085 177.584 -0.136 0.000 1.106 404 A CA -0.525 51.000 52.037 -0.852 0.000 0.780 404 A CB -0.016 18.467 19.000 -0.862 0.000 1.044 404 A HN 0.737 nan 8.150 nan 0.000 0.498 405 V N 5.142 125.013 119.914 -0.072 0.000 2.313 405 V HA 0.019 4.135 4.120 -0.007 0.000 0.252 405 V C 1.344 177.388 176.094 -0.082 0.000 1.112 405 V CA -0.001 62.313 62.300 0.023 0.000 0.984 405 V CB 0.458 32.327 31.823 0.076 0.000 1.157 405 V HN 0.763 nan 8.190 nan 0.000 0.493 406 V N 4.268 124.118 119.914 -0.108 0.000 2.626 406 V HA -0.010 4.106 4.120 -0.007 0.000 0.252 406 V C 1.215 177.155 176.094 -0.257 0.000 1.067 406 V CA 1.511 63.700 62.300 -0.186 0.000 1.081 406 V CB -0.324 31.411 31.823 -0.148 0.000 0.686 406 V HN 0.827 nan 8.190 nan 0.000 0.468 407 R N -0.238 120.110 120.500 -0.253 0.000 2.531 407 R HA 0.367 4.703 4.340 -0.007 0.000 0.293 407 R C -0.816 175.357 176.300 -0.212 0.000 1.124 407 R CA -0.127 55.756 56.100 -0.362 0.000 0.945 407 R CB 1.646 31.528 30.300 -0.695 0.000 1.195 407 R HN 0.252 nan 8.270 nan 0.000 0.433 408 S N 1.946 117.555 115.700 -0.152 0.000 2.617 408 S HA 0.448 4.914 4.470 -0.007 0.000 0.269 408 S C 0.072 174.621 174.600 -0.084 0.000 1.292 408 S CA -0.428 57.722 58.200 -0.083 0.000 1.010 408 S CB 1.526 64.703 63.200 -0.038 0.000 0.944 408 S HN 0.743 nan 8.310 nan 0.000 0.536 409 A N 0.864 123.651 122.820 -0.054 0.000 2.561 409 A HA 0.449 4.765 4.320 -0.007 0.000 0.234 409 A C 1.522 179.100 177.584 -0.011 0.000 1.055 409 A CA 0.413 52.432 52.037 -0.029 0.000 0.756 409 A CB -1.134 17.861 19.000 -0.008 0.000 0.986 409 A HN 1.900 nan 8.150 nan 0.000 0.505 410 G N 0.335 109.131 108.800 -0.008 0.000 2.179 410 G HA2 -0.140 3.816 3.960 -0.007 0.000 0.260 410 G HA3 -0.140 3.816 3.960 -0.007 0.000 0.260 410 G C 0.450 175.340 174.900 -0.015 0.000 0.977 410 G CA 0.786 45.890 45.100 0.006 0.000 0.641 410 G HN 1.700 nan 8.290 nan 0.000 0.533 411 S N -1.048 114.622 115.700 -0.049 0.000 2.638 411 S HA 0.774 5.240 4.470 -0.007 0.000 0.302 411 S C 1.228 175.768 174.600 -0.100 0.000 1.096 411 S CA 0.707 58.867 58.200 -0.067 0.000 0.953 411 S CB 1.760 64.909 63.200 -0.086 0.000 1.107 411 S HN 1.028 nan 8.310 nan 0.000 0.503 412 S N 0.527 116.175 115.700 -0.086 0.000 2.549 412 S HA 0.204 4.670 4.470 -0.007 0.000 0.225 412 S C 0.499 175.032 174.600 -0.111 0.000 1.039 412 S CA -0.244 57.903 58.200 -0.089 0.000 0.942 412 S CB -0.176 63.015 63.200 -0.016 0.000 0.881 412 S HN 0.614 nan 8.310 nan 0.000 0.503 413 T N 3.095 117.593 114.554 -0.094 0.000 2.930 413 T HA 0.285 4.630 4.350 -0.007 0.000 0.306 413 T C -0.971 173.604 174.700 -0.207 0.000 1.045 413 T CA 0.481 62.552 62.100 -0.049 0.000 1.134 413 T CB 0.001 68.850 68.868 -0.032 0.000 0.961 413 T HN 0.244 nan 8.240 nan 0.000 0.545 414 Y N 2.474 122.718 120.300 -0.095 0.000 2.330 414 Y HA 0.406 4.953 4.550 -0.005 0.000 0.336 414 Y C 0.679 176.388 175.900 -0.319 0.000 1.036 414 Y CA -0.939 57.008 58.100 -0.255 0.000 1.125 414 Y CB 1.072 39.385 38.460 -0.246 0.000 1.194 414 Y HN 0.483 nan 8.280 nan 0.000 0.469 415 N N 2.779 121.297 118.700 -0.304 0.000 2.524 415 N HA 0.166 4.902 4.740 -0.007 0.000 0.261 415 N C -0.990 174.340 175.510 -0.300 0.000 0.998 415 N CA -0.469 52.462 53.050 -0.199 0.000 0.915 415 N CB 0.373 38.804 38.487 -0.093 0.000 1.187 415 N HN 0.542 nan 8.380 nan 0.000 0.507 416 Y N 1.104 121.450 120.300 0.077 0.000 2.481 416 Y HA 0.257 4.804 4.550 -0.006 0.000 0.258 416 Y C 2.006 177.945 175.900 0.065 0.000 1.103 416 Y CA -0.119 58.018 58.100 0.063 0.000 1.287 416 Y CB 0.376 38.864 38.460 0.048 0.000 1.108 416 Y HN 0.567 nan 8.280 nan 0.000 0.529 417 E N 1.623 121.937 120.200 0.190 0.000 2.015 417 E HA -0.172 4.174 4.350 -0.007 0.000 0.191 417 E C 0.150 176.824 176.600 0.124 0.000 0.991 417 E CA 1.583 58.068 56.400 0.142 0.000 0.802 417 E CB 0.057 29.825 29.700 0.113 0.000 0.759 417 E HN 0.494 nan 8.360 nan 0.000 0.447 418 N N -0.567 118.197 118.700 0.106 0.000 2.620 418 N HA 0.200 4.936 4.740 -0.007 0.000 0.277 418 N C -2.918 172.659 175.510 0.113 0.000 1.726 418 N CA -1.451 51.670 53.050 0.119 0.000 0.840 418 N CB 0.612 39.158 38.487 0.097 0.000 1.379 418 N HN -0.049 nan 8.380 nan 0.000 0.506 419 P HA -0.029 nan 4.420 nan 0.000 0.269 419 P C 0.549 177.913 177.300 0.107 0.000 1.215 419 P CA -0.237 62.885 63.100 0.037 0.000 0.780 419 P CB 1.068 32.728 31.700 -0.067 0.000 0.898 420 V N 3.473 123.437 119.914 0.083 0.000 2.814 420 V HA -0.092 4.024 4.120 -0.007 0.000 0.307 420 V C -0.629 175.532 176.094 0.111 0.000 1.089 420 V CA 0.783 63.157 62.300 0.124 0.000 1.212 420 V CB -0.910 30.970 31.823 0.095 0.000 0.912 420 V HN 0.299 nan 8.190 nan 0.000 0.497 421 Y N 6.805 127.109 120.300 0.007 0.000 2.409 421 Y HA 0.770 5.316 4.550 -0.007 0.000 0.339 421 Y C 0.548 176.360 175.900 -0.148 0.000 1.033 421 Y CA -0.547 57.525 58.100 -0.048 0.000 1.094 421 Y CB 1.560 40.005 38.460 -0.026 0.000 1.210 421 Y HN 0.777 nan 8.280 nan 0.000 0.456 422 R N -0.131 120.233 120.500 -0.227 0.000 2.829 422 R HA 0.452 4.788 4.340 -0.007 0.000 0.267 422 R C -1.192 174.634 176.300 -0.791 0.000 1.051 422 R CA -0.622 55.276 56.100 -0.336 0.000 0.927 422 R CB 0.866 31.044 30.300 -0.204 0.000 1.292 422 R HN 0.532 nan 8.270 nan 0.000 0.445 423 D N -0.774 119.352 120.400 -0.455 0.000 2.479 423 D HA 0.174 4.810 4.640 -0.007 0.000 0.221 423 D C -0.288 176.175 176.300 0.271 0.000 1.104 423 D CA -0.007 53.817 54.000 -0.293 0.000 0.849 423 D CB 0.871 41.716 40.800 0.074 0.000 1.072 423 D HN 0.133 nan 8.370 nan 0.000 0.502 424 V N 1.277 121.323 119.914 0.219 0.000 2.444 424 V HA 0.536 4.652 4.120 -0.007 0.000 0.294 424 V C -0.881 175.371 176.094 0.264 0.000 1.022 424 V CA -1.055 61.448 62.300 0.338 0.000 0.850 424 V CB 2.043 33.970 31.823 0.174 0.000 0.992 424 V HN 0.100 nan 8.190 nan 0.000 0.426 425 V N 4.533 124.645 119.914 0.331 0.000 2.588 425 V HA 0.573 4.689 4.120 -0.007 0.000 0.304 425 V C 0.299 176.390 176.094 -0.005 0.000 1.042 425 V CA -0.211 62.189 62.300 0.167 0.000 0.877 425 V CB 2.396 34.377 31.823 0.263 0.000 0.996 425 V HN 0.933 nan 8.190 nan 0.000 0.425 426 S N 3.670 119.188 115.700 -0.302 0.000 2.515 426 S HA 0.087 4.553 4.470 -0.007 0.000 0.285 426 S C 1.259 175.777 174.600 -0.138 0.000 1.265 426 S CA 0.355 58.257 58.200 -0.497 0.000 1.079 426 S CB 0.618 63.024 63.200 -1.323 0.000 0.877 426 S HN 1.183 nan 8.310 nan 0.000 0.493 427 T N 2.681 117.271 114.554 0.059 0.000 3.219 427 T HA 0.448 4.794 4.350 -0.007 0.000 0.249 427 T C 1.284 176.062 174.700 0.130 0.000 1.099 427 T CA 0.276 62.450 62.100 0.124 0.000 0.988 427 T CB -0.892 68.137 68.868 0.269 0.000 0.999 427 T HN 1.320 nan 8.240 nan 0.000 0.550 428 G N 1.695 110.554 108.800 0.098 0.000 2.564 428 G HA2 -0.121 3.835 3.960 -0.007 0.000 0.273 428 G HA3 -0.121 3.835 3.960 -0.007 0.000 0.273 428 G C -0.013 175.003 174.900 0.194 0.000 1.242 428 G CA 0.259 45.431 45.100 0.120 0.000 0.951 428 G HN 1.667 nan 8.290 nan 0.000 0.564 429 S N -0.591 115.182 115.700 0.122 0.000 2.685 429 S HA 0.782 5.248 4.470 -0.007 0.000 0.282 429 S C -3.255 171.303 174.600 -0.070 0.000 1.159 429 S CA -0.448 57.788 58.200 0.060 0.000 0.833 429 S CB 1.988 65.320 63.200 0.221 0.000 1.151 429 S HN 0.696 nan 8.310 nan 0.000 0.485 430 P HA 0.196 nan 4.420 nan 0.000 0.257 430 P C 0.941 178.199 177.300 -0.071 0.000 1.153 430 P CA 2.283 65.290 63.100 -0.155 0.000 0.762 430 P CB -0.188 31.410 31.700 -0.170 0.000 0.743 431 G N 2.055 110.818 108.800 -0.062 0.000 2.194 431 G HA2 -0.181 3.775 3.960 -0.007 0.000 0.236 431 G HA3 -0.181 3.775 3.960 -0.007 0.000 0.236 431 G C 0.093 174.969 174.900 -0.040 0.000 0.987 431 G CA -0.333 44.743 45.100 -0.041 0.000 0.635 431 G HN 0.482 nan 8.290 nan 0.000 0.520 432 D N 0.145 120.520 120.400 -0.043 0.000 2.344 432 D HA 0.381 5.017 4.640 -0.007 0.000 0.244 432 D C 0.438 176.695 176.300 -0.072 0.000 1.134 432 D CA 0.133 54.103 54.000 -0.050 0.000 0.930 432 D CB 0.710 41.493 40.800 -0.029 0.000 1.175 432 D HN 0.339 nan 8.370 nan 0.000 0.437 433 N N 0.782 119.425 118.700 -0.094 0.000 2.711 433 N HA 0.132 4.868 4.740 -0.007 0.000 0.263 433 N C -1.202 174.231 175.510 -0.127 0.000 1.667 433 N CA -0.332 52.657 53.050 -0.101 0.000 0.785 433 N CB 0.634 39.092 38.487 -0.048 0.000 1.231 433 N HN 0.000 nan 8.380 nan 0.000 0.503 434 V N 1.824 121.661 119.914 -0.128 0.000 2.584 434 V HA 0.022 4.138 4.120 -0.007 0.000 0.303 434 V C 0.335 176.348 176.094 -0.136 0.000 1.035 434 V CA 0.752 62.973 62.300 -0.131 0.000 1.172 434 V CB 0.835 32.599 31.823 -0.098 0.000 0.896 434 V HN 0.407 nan 8.190 nan 0.000 0.486 435 T N 6.769 121.250 114.554 -0.122 0.000 2.881 435 T HA 0.702 5.048 4.350 -0.007 0.000 0.290 435 T C -0.396 174.257 174.700 -0.079 0.000 1.000 435 T CA -0.327 61.728 62.100 -0.074 0.000 0.978 435 T CB 1.409 70.310 68.868 0.055 0.000 0.997 435 T HN 0.669 nan 8.240 nan 0.000 0.443 436 I N -0.261 120.250 120.570 -0.099 0.000 2.934 436 I HA 0.845 5.011 4.170 -0.007 0.000 0.306 436 I C -1.057 175.055 176.117 -0.008 0.000 1.110 436 I CA -1.331 59.914 61.300 -0.092 0.000 1.019 436 I CB 2.415 40.192 38.000 -0.372 0.000 1.227 436 I HN 0.391 nan 8.210 nan 0.000 0.434 437 R N 3.374 123.919 120.500 0.074 0.000 2.725 437 R HA 0.765 5.101 4.340 -0.007 0.000 0.277 437 R C -1.713 174.735 176.300 0.246 0.000 0.987 437 R CA -0.612 55.527 56.100 0.065 0.000 0.901 437 R CB 2.571 32.882 30.300 0.018 0.000 1.207 437 R HN 0.747 nan 8.270 nan 0.000 0.463 438 F N -1.405 118.531 119.950 -0.023 0.000 2.741 438 F HA 0.592 5.116 4.527 -0.007 0.000 0.313 438 F C -1.158 174.607 175.800 -0.058 0.000 1.153 438 F CA -1.435 56.553 58.000 -0.020 0.000 0.931 438 F CB 1.199 40.136 39.000 -0.106 0.000 1.335 438 F HN 0.333 nan 8.300 nan 0.000 0.460 439 R N 0.019 120.567 120.500 0.080 0.000 2.604 439 R HA 0.582 4.918 4.340 -0.007 0.000 0.287 439 R C -0.452 175.898 176.300 0.084 0.000 0.970 439 R CA -0.188 55.914 56.100 0.003 0.000 0.946 439 R CB 1.723 32.055 30.300 0.052 0.000 1.127 439 R HN 0.928 nan 8.270 nan 0.000 0.473 440 T N 0.435 115.023 114.554 0.058 0.000 3.607 440 T HA 0.079 4.425 4.350 -0.007 0.000 0.225 440 T C 0.368 175.202 174.700 0.223 0.000 0.904 440 T CA -0.631 61.579 62.100 0.184 0.000 0.962 440 T CB 0.006 68.957 68.868 0.138 0.000 1.221 440 T HN 0.526 nan 8.240 nan 0.000 0.641 441 D N 2.189 122.722 120.400 0.222 0.000 2.203 441 D HA -0.120 4.515 4.640 -0.007 0.000 0.199 441 D C 0.633 177.076 176.300 0.239 0.000 0.997 441 D CA 1.335 55.432 54.000 0.162 0.000 0.863 441 D CB 0.065 40.921 40.800 0.094 0.000 0.928 441 D HN 0.523 nan 8.370 nan 0.000 0.458 442 N N -0.344 118.563 118.700 0.346 0.000 2.716 442 N HA 0.220 4.956 4.740 -0.007 0.000 0.253 442 N C -2.889 172.949 175.510 0.546 0.000 1.170 442 N CA -1.798 51.502 53.050 0.418 0.000 0.807 442 N CB 1.455 39.961 38.487 0.031 0.000 1.183 442 N HN -0.239 nan 8.380 nan 0.000 0.524 443 P HA 0.356 nan 4.420 nan 0.000 0.268 443 P C 0.029 177.439 177.300 0.183 0.000 1.204 443 P CA 0.360 63.621 63.100 0.269 0.000 0.768 443 P CB 0.765 32.551 31.700 0.144 0.000 0.842 444 G N 3.291 112.104 108.800 0.021 0.000 2.347 444 G HA2 0.164 4.120 3.960 -0.007 0.000 0.321 444 G HA3 0.164 4.120 3.960 -0.007 0.000 0.321 444 G C -3.453 171.071 174.900 -0.627 0.000 1.412 444 G CA -0.935 43.934 45.100 -0.385 0.000 0.990 444 G HN 0.275 nan 8.290 nan 0.000 0.637 445 P HA 0.453 nan 4.420 nan 0.000 0.287 445 P C -1.117 175.824 177.300 -0.599 0.000 1.294 445 P CA -0.048 62.797 63.100 -0.425 0.000 0.776 445 P CB 0.281 31.836 31.700 -0.242 0.000 0.889 446 W N 3.471 124.810 121.300 0.064 0.000 2.600 446 W HA 0.366 5.022 4.660 -0.007 0.000 0.325 446 W C -0.076 176.492 176.519 0.082 0.000 1.034 446 W CA -0.854 56.528 57.345 0.061 0.000 1.226 446 W CB 1.062 30.603 29.460 0.135 0.000 1.379 446 W HN 0.237 nan 8.180 nan 0.000 0.466 447 F N 4.172 124.097 119.950 -0.042 0.000 2.518 447 F HA 0.285 4.808 4.527 -0.006 0.000 0.359 447 F C -0.032 175.776 175.800 0.012 0.000 1.118 447 F CA -0.833 57.058 58.000 -0.181 0.000 1.287 447 F CB 0.601 39.242 39.000 -0.599 0.000 1.132 447 F HN 0.121 nan 8.300 nan 0.000 0.587 448 L N 6.515 127.845 121.223 0.178 0.000 2.457 448 L HA 0.400 4.736 4.340 -0.007 0.000 0.266 448 L C -1.393 175.429 176.870 -0.080 0.000 0.979 448 L CA -0.183 54.677 54.840 0.035 0.000 0.857 448 L CB 1.018 43.121 42.059 0.073 0.000 1.213 448 L HN 0.745 nan 8.230 nan 0.000 0.418 449 H N 1.554 120.429 119.070 -0.326 0.000 2.990 449 H HA 0.575 5.127 4.556 -0.007 0.000 0.343 449 H C -0.928 173.731 175.328 -1.114 0.000 1.270 449 H CA -1.009 54.603 56.048 -0.726 0.000 1.118 449 H CB 0.975 30.203 29.762 -0.891 0.000 1.861 449 H HN 0.644 nan 8.280 nan 0.000 0.544 450 C N 2.099 120.512 119.300 -1.477 0.000 2.585 450 C HA 0.123 4.579 4.460 -0.007 0.000 0.406 450 C C 1.159 175.979 174.990 -0.284 0.000 1.312 450 C CA -0.118 58.149 59.018 -1.251 0.000 1.924 450 C CB -0.914 26.241 27.740 -0.975 0.000 2.578 450 C HN 1.003 nan 8.230 nan 0.000 0.580 451 H N 4.450 123.410 119.070 -0.182 0.000 2.524 451 H HA 0.303 4.855 4.556 -0.006 0.000 0.280 451 H C 0.411 175.769 175.328 0.049 0.000 1.018 451 H CA 0.287 56.371 56.048 0.061 0.000 1.165 451 H CB -0.017 29.801 29.762 0.093 0.000 1.411 451 H HN 0.653 nan 8.280 nan 0.000 0.569 452 I N 1.282 121.898 120.570 0.076 0.000 2.363 452 I HA -0.078 4.088 4.170 -0.007 0.000 0.292 452 I C 1.274 177.231 176.117 -0.265 0.000 1.075 452 I CA -0.028 61.206 61.300 -0.109 0.000 1.333 452 I CB 1.006 38.851 38.000 -0.259 0.000 1.415 452 I HN -0.002 nan 8.210 nan 0.000 0.502 453 D N 4.862 124.972 120.400 -0.483 0.000 2.144 453 D HA -0.172 4.464 4.640 -0.007 0.000 0.199 453 D C 1.761 177.767 176.300 -0.491 0.000 0.984 453 D CA 1.817 55.467 54.000 -0.584 0.000 0.834 453 D CB 0.124 40.369 40.800 -0.924 0.000 0.955 453 D HN 0.472 nan 8.370 nan 0.000 0.465 454 F N -0.233 119.610 119.950 -0.177 0.000 2.269 454 F HA -0.037 4.485 4.527 -0.009 0.000 0.301 454 F C 2.302 178.166 175.800 0.106 0.000 1.082 454 F CA 1.002 58.958 58.000 -0.073 0.000 1.360 454 F CB -0.966 37.971 39.000 -0.104 0.000 1.041 454 F HN 0.253 nan 8.300 nan 0.000 0.512 455 H N -0.904 118.234 119.070 0.113 0.000 2.363 455 H HA -0.090 4.462 4.556 -0.007 0.000 0.301 455 H C 2.143 177.464 175.328 -0.012 0.000 1.074 455 H CA 0.765 56.773 56.048 -0.066 0.000 1.354 455 H CB -0.153 29.434 29.762 -0.292 0.000 1.397 455 H HN 0.169 nan 8.280 nan 0.000 0.516 456 L N 1.623 122.875 121.223 0.049 0.000 2.012 456 L HA -0.178 4.157 4.340 -0.007 0.000 0.210 456 L C 2.255 179.168 176.870 0.072 0.000 1.073 456 L CA 1.827 56.642 54.840 -0.041 0.000 0.748 456 L CB -0.473 41.436 42.059 -0.251 0.000 0.891 456 L HN 0.131 nan 8.230 nan 0.000 0.431 457 E N 0.269 120.522 120.200 0.088 0.000 2.118 457 E HA -0.138 4.208 4.350 -0.007 0.000 0.195 457 E C 1.711 178.432 176.600 0.202 0.000 0.992 457 E CA 1.362 57.846 56.400 0.140 0.000 0.804 457 E CB -0.395 29.383 29.700 0.130 0.000 0.741 457 E HN 0.545 nan 8.360 nan 0.000 0.458 458 A N -0.785 122.198 122.820 0.273 0.000 2.310 458 A HA 0.440 4.756 4.320 -0.007 0.000 0.230 458 A C 1.377 179.158 177.584 0.329 0.000 1.294 458 A CA 0.690 52.914 52.037 0.311 0.000 0.898 458 A CB -0.966 18.309 19.000 0.459 0.000 0.917 458 A HN 0.470 nan 8.150 nan 0.000 0.491 459 G N -1.952 107.036 108.800 0.313 0.000 2.141 459 G HA2 -0.230 3.726 3.960 -0.007 0.000 0.231 459 G HA3 -0.230 3.726 3.960 -0.007 0.000 0.231 459 G C -0.027 175.127 174.900 0.424 0.000 0.984 459 G CA 0.046 45.364 45.100 0.363 0.000 0.660 459 G HN 0.526 nan 8.290 nan 0.000 0.525 460 F N 2.101 122.117 119.950 0.111 0.000 2.626 460 F HA 0.680 5.202 4.527 -0.008 0.000 0.353 460 F C 0.551 176.292 175.800 -0.099 0.000 1.230 460 F CA -0.815 57.179 58.000 -0.011 0.000 1.298 460 F CB -0.265 38.535 39.000 -0.333 0.000 1.670 460 F HN 0.765 nan 8.300 nan 0.000 0.633 461 A N 2.472 125.368 122.820 0.127 0.000 2.594 461 A HA 0.719 5.035 4.320 -0.007 0.000 0.296 461 A C -1.405 176.255 177.584 0.127 0.000 1.061 461 A CA -0.281 51.672 52.037 -0.140 0.000 0.689 461 A CB 1.102 19.688 19.000 -0.691 0.000 1.280 461 A HN 0.484 nan 8.150 nan 0.000 0.406 462 V N -1.656 118.344 119.914 0.142 0.000 3.156 462 V HA 0.971 5.087 4.120 -0.007 0.000 0.311 462 V C -0.739 175.576 176.094 0.368 0.000 1.208 462 V CA -0.931 61.576 62.300 0.346 0.000 1.063 462 V CB 1.606 33.648 31.823 0.365 0.000 1.098 462 V HN 1.074 nan 8.190 nan 0.000 0.452 463 V N 1.852 122.026 119.914 0.433 0.000 2.525 463 V HA 0.481 4.596 4.120 -0.007 0.000 0.299 463 V C -0.429 175.875 176.094 0.350 0.000 1.034 463 V CA -0.435 62.080 62.300 0.357 0.000 0.863 463 V CB 1.778 33.779 31.823 0.296 0.000 0.999 463 V HN 0.835 nan 8.190 nan 0.000 0.423 464 M N 4.166 123.957 119.600 0.318 0.000 2.135 464 M HA 0.416 4.892 4.480 -0.007 0.000 0.345 464 M C 0.400 176.871 176.300 0.285 0.000 1.340 464 M CA -0.350 55.151 55.300 0.336 0.000 1.162 464 M CB 0.712 33.536 32.600 0.374 0.000 1.570 464 M HN 0.716 nan 8.290 nan 0.000 0.454 465 A N 3.904 126.866 122.820 0.236 0.000 2.666 465 A HA 0.280 4.596 4.320 -0.007 0.000 0.312 465 A C 0.281 177.969 177.584 0.173 0.000 1.471 465 A CA -0.450 51.675 52.037 0.147 0.000 1.134 465 A CB -0.379 18.689 19.000 0.114 0.000 1.129 465 A HN 0.774 nan 8.150 nan 0.000 0.539 466 E N 2.576 122.901 120.200 0.208 0.000 2.194 466 E HA 0.237 4.583 4.350 -0.007 0.000 0.284 466 E C -0.425 176.291 176.600 0.194 0.000 1.035 466 E CA -0.292 56.278 56.400 0.283 0.000 0.836 466 E CB 0.372 30.384 29.700 0.520 0.000 1.070 466 E HN 0.624 nan 8.360 nan 0.000 0.401 467 D N 4.386 124.884 120.400 0.165 0.000 2.697 467 D HA -0.236 4.400 4.640 -0.007 0.000 0.235 467 D C 0.611 176.964 176.300 0.088 0.000 1.167 467 D CA 0.690 54.765 54.000 0.125 0.000 0.656 467 D CB -1.083 39.805 40.800 0.147 0.000 1.025 467 D HN 0.683 nan 8.370 nan 0.000 0.419 468 I N -0.269 120.344 120.570 0.072 0.000 2.181 468 I HA -0.274 3.892 4.170 -0.007 0.000 0.247 468 I C -0.539 175.598 176.117 0.034 0.000 1.081 468 I CA 1.655 62.981 61.300 0.044 0.000 1.340 468 I CB -0.967 37.057 38.000 0.040 0.000 1.036 468 I HN 0.316 nan 8.210 nan 0.000 0.417 469 P HA -0.110 nan 4.420 nan 0.000 0.226 469 P C 1.082 178.400 177.300 0.031 0.000 1.153 469 P CA 1.122 64.241 63.100 0.032 0.000 0.777 469 P CB 0.052 31.773 31.700 0.035 0.000 0.794 470 E N -1.214 119.010 120.200 0.040 0.000 2.481 470 E HA 0.072 4.418 4.350 -0.007 0.000 0.198 470 E C 1.735 178.348 176.600 0.022 0.000 1.027 470 E CA 0.056 56.479 56.400 0.038 0.000 0.900 470 E CB -0.031 29.705 29.700 0.060 0.000 0.993 470 E HN 0.087 nan 8.360 nan 0.000 0.482 471 V N 1.573 121.493 119.914 0.009 0.000 2.255 471 V HA -0.287 3.829 4.120 -0.007 0.000 0.247 471 V C 2.492 178.563 176.094 -0.038 0.000 1.051 471 V CA 2.220 64.506 62.300 -0.024 0.000 1.018 471 V CB -0.772 31.024 31.823 -0.046 0.000 0.641 471 V HN 0.266 nan 8.190 nan 0.000 0.445 472 A N -0.115 122.688 122.820 -0.028 0.000 1.902 472 A HA -0.131 4.185 4.320 -0.007 0.000 0.217 472 A C 2.406 179.974 177.584 -0.026 0.000 1.181 472 A CA 2.248 54.265 52.037 -0.034 0.000 0.623 472 A CB -0.846 18.142 19.000 -0.019 0.000 0.818 472 A HN 0.592 nan 8.150 nan 0.000 0.443 473 A N -1.198 121.616 122.820 -0.009 0.000 1.930 473 A HA -0.053 4.263 4.320 -0.007 0.000 0.217 473 A C 2.264 179.846 177.584 -0.003 0.000 1.175 473 A CA 2.201 54.237 52.037 -0.001 0.000 0.627 473 A CB -1.078 17.929 19.000 0.012 0.000 0.815 473 A HN 0.432 nan 8.150 nan 0.000 0.443 474 T N 0.451 114.999 114.554 -0.010 0.000 2.985 474 T HA 0.001 4.347 4.350 -0.007 0.000 0.266 474 T C 0.648 175.323 174.700 -0.043 0.000 1.076 474 T CA 0.835 62.917 62.100 -0.031 0.000 1.135 474 T CB -0.169 68.672 68.868 -0.044 0.000 0.890 474 T HN 0.450 nan 8.240 nan 0.000 0.480 475 N N 2.335 121.017 118.700 -0.029 0.000 2.886 475 N HA 0.207 4.943 4.740 -0.007 0.000 0.285 475 N C -3.002 172.508 175.510 -0.000 0.000 1.706 475 N CA -0.999 52.061 53.050 0.018 0.000 0.904 475 N CB 1.237 39.716 38.487 -0.014 0.000 1.224 475 N HN 0.307 nan 8.380 nan 0.000 0.488 476 P HA -0.021 nan 4.420 nan 0.000 0.267 476 P C 0.440 177.621 177.300 -0.200 0.000 1.205 476 P CA -0.051 63.003 63.100 -0.077 0.000 0.765 476 P CB 0.905 32.578 31.700 -0.044 0.000 0.828 477 V N 2.154 121.850 119.914 -0.363 0.000 2.785 477 V HA 0.588 4.704 4.120 -0.007 0.000 0.300 477 V C -2.025 173.750 176.094 -0.532 0.000 1.062 477 V CA -2.004 59.862 62.300 -0.723 0.000 1.029 477 V CB 0.459 31.835 31.823 -0.746 0.000 1.024 477 V HN 0.446 nan 8.190 nan 0.000 0.477 478 P HA 0.284 nan 4.420 nan 0.000 0.279 478 P C 0.206 177.415 177.300 -0.152 0.000 1.252 478 P CA -0.327 62.537 63.100 -0.392 0.000 0.811 478 P CB 1.486 32.876 31.700 -0.516 0.000 1.035 479 Q N 2.402 122.155 119.800 -0.078 0.000 2.082 479 Q HA -0.245 4.091 4.340 -0.007 0.000 0.211 479 Q C 2.046 178.070 176.000 0.040 0.000 1.002 479 Q CA 2.980 58.777 55.803 -0.010 0.000 0.868 479 Q CB -1.524 27.208 28.738 -0.011 0.000 0.931 479 Q HN 0.588 nan 8.270 nan 0.000 0.414 480 A N -0.994 121.864 122.820 0.063 0.000 1.978 480 A HA -0.194 4.122 4.320 -0.007 0.000 0.220 480 A C 1.958 179.683 177.584 0.236 0.000 1.170 480 A CA 1.566 53.705 52.037 0.170 0.000 0.636 480 A CB -1.285 17.849 19.000 0.224 0.000 0.810 480 A HN 0.738 nan 8.150 nan 0.000 0.448 481 W N 0.366 121.709 121.300 0.071 0.000 2.418 481 W HA -0.117 4.538 4.660 -0.007 0.000 0.292 481 W C 2.609 179.053 176.519 -0.124 0.000 1.213 481 W CA 1.638 58.958 57.345 -0.041 0.000 1.283 481 W CB -0.185 29.230 29.460 -0.076 0.000 1.119 481 W HN 0.282 nan 8.180 nan 0.000 0.542 482 S N 0.014 115.813 115.700 0.165 0.000 2.399 482 S HA -0.194 4.272 4.470 -0.007 0.000 0.231 482 S C 1.360 175.859 174.600 -0.169 0.000 1.022 482 S CA 1.901 60.109 58.200 0.012 0.000 0.983 482 S CB -0.547 62.719 63.200 0.110 0.000 0.803 482 S HN 0.263 nan 8.310 nan 0.000 0.480 483 D N 0.842 121.164 120.400 -0.130 0.000 2.347 483 D HA 0.114 4.750 4.640 -0.007 0.000 0.213 483 D C 1.814 177.984 176.300 -0.216 0.000 0.985 483 D CA 0.164 54.087 54.000 -0.129 0.000 0.879 483 D CB -0.134 40.638 40.800 -0.046 0.000 0.919 483 D HN 0.390 nan 8.370 nan 0.000 0.526 484 L N 0.207 121.211 121.223 -0.365 0.000 1.989 484 L HA -0.229 4.107 4.340 -0.007 0.000 0.211 484 L C 2.512 179.177 176.870 -0.343 0.000 1.071 484 L CA 1.155 55.729 54.840 -0.444 0.000 0.749 484 L CB -0.385 41.234 42.059 -0.734 0.000 0.890 484 L HN 0.144 nan 8.230 nan 0.000 0.431 485 c N -0.537 117.833 118.600 -0.383 0.000 2.462 485 c HA -0.068 4.498 4.570 -0.007 0.000 0.278 485 c C 0.375 174.400 174.090 -0.107 0.000 1.253 485 c CA 0.563 56.756 56.329 -0.226 0.000 1.713 485 c CB -1.638 40.716 42.510 -0.259 0.000 2.049 485 c HN 0.356 nan 8.230 nan 0.000 0.477 486 P HA -0.108 nan 4.420 nan 0.000 0.215 486 P C 1.536 178.792 177.300 -0.073 0.000 1.157 486 P CA 2.057 65.111 63.100 -0.077 0.000 0.874 486 P CB -0.330 31.326 31.700 -0.073 0.000 0.790 487 T N -1.682 112.808 114.554 -0.106 0.000 2.684 487 T HA -0.229 4.117 4.350 -0.007 0.000 0.267 487 T C 1.676 176.310 174.700 -0.110 0.000 1.036 487 T CA 1.448 63.463 62.100 -0.142 0.000 1.148 487 T CB -1.133 67.570 68.868 -0.275 0.000 0.863 487 T HN 0.136 nan 8.240 nan 0.000 0.436 488 Y N 1.889 122.072 120.300 -0.195 0.000 2.200 488 Y HA -0.110 4.436 4.550 -0.007 0.000 0.290 488 Y C 2.042 177.899 175.900 -0.071 0.000 1.137 488 Y CA 1.260 59.278 58.100 -0.137 0.000 1.163 488 Y CB -0.170 38.201 38.460 -0.150 0.000 0.988 488 Y HN 0.119 nan 8.280 nan 0.000 0.518 489 D N 0.132 120.538 120.400 0.010 0.000 2.264 489 D HA -0.103 4.533 4.640 -0.007 0.000 0.208 489 D C 1.959 178.195 176.300 -0.108 0.000 0.966 489 D CA 1.123 55.097 54.000 -0.043 0.000 0.864 489 D CB -0.263 40.551 40.800 0.022 0.000 0.933 489 D HN 0.487 nan 8.370 nan 0.000 0.499 490 A N 0.198 122.954 122.820 -0.106 0.000 2.206 490 A HA 0.070 4.386 4.320 -0.007 0.000 0.211 490 A C 1.171 178.686 177.584 -0.115 0.000 1.158 490 A CA 0.024 52.007 52.037 -0.090 0.000 0.761 490 A CB -0.188 18.773 19.000 -0.064 0.000 0.801 490 A HN 0.141 nan 8.150 nan 0.000 0.473 491 L N 0.463 121.572 121.223 -0.190 0.000 2.417 491 L HA 0.197 4.533 4.340 -0.007 0.000 0.268 491 L C 1.062 177.828 176.870 -0.173 0.000 1.158 491 L CA -0.406 54.318 54.840 -0.192 0.000 0.819 491 L CB 1.139 43.023 42.059 -0.290 0.000 1.112 491 L HN 0.275 nan 8.230 nan 0.000 0.458 492 S N 2.444 118.066 115.700 -0.131 0.000 2.562 492 S HA 0.156 4.622 4.470 -0.007 0.000 0.281 492 S C -1.567 172.941 174.600 -0.152 0.000 1.333 492 S CA -1.040 57.088 58.200 -0.120 0.000 1.052 492 S CB 0.973 64.115 63.200 -0.096 0.000 0.884 492 S HN 0.399 nan 8.310 nan 0.000 0.506 493 P HA -0.081 nan 4.420 nan 0.000 0.222 493 P C -0.064 177.077 177.300 -0.264 0.000 1.142 493 P CA 1.259 64.284 63.100 -0.125 0.000 0.788 493 P CB -0.120 31.540 31.700 -0.067 0.000 0.767 494 D N -3.246 116.930 120.400 -0.372 0.000 2.395 494 D HA 0.013 4.648 4.640 -0.007 0.000 0.213 494 D C 0.446 176.433 176.300 -0.522 0.000 1.110 494 D CA 0.035 53.553 54.000 -0.804 0.000 0.835 494 D CB -0.541 39.950 40.800 -0.516 0.000 0.965 494 D HN -0.003 nan 8.370 nan 0.000 0.505 495 D N 0.393 120.644 120.400 -0.248 0.000 2.340 495 D HA 0.046 4.682 4.640 -0.007 0.000 0.217 495 D C 0.617 176.924 176.300 0.012 0.000 1.081 495 D CA 0.074 54.024 54.000 -0.083 0.000 0.842 495 D CB 0.197 40.964 40.800 -0.054 0.000 0.934 495 D HN 0.308 nan 8.370 nan 0.000 0.511 496 Q N 0.000 119.823 119.800 0.038 0.000 2.315 496 Q HA 0.000 4.336 4.340 -0.007 0.000 0.214 496 Q CA 0.000 55.914 55.803 0.184 0.000 1.022 496 Q CB 0.000 28.858 28.738 0.200 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481