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 3aer_1_A DATA FIRST_RESID 7 DATA SEQUENCE TFGCTDSPVR RERGQKAVFC GLTSIVWLHR KMQDAFFLVV GSRTCAHLLQ DATA SEQUENCE AAAGVMIFAE PRFGTAVLEE QDLAGLADAH KELDREVAKL LERRPDIRQL DATA SEQUENCE FLVGSCPSEV LKLDLDRAAE RLSGLHAPHV RVYSYTGSGL DTTFTQGEDT DATA SEQUENCE CLAAMVPTLD TTEAAELIVV GALPDVVEDQ CLSLLTQLGV GPVRMLPARR DATA SEQUENCE SDIEPAVGPN TRFILAQPFL GETTGALERR GAKRIAAPFP FGEEGTTLWL DATA SEQUENCE KAVADAYGVS AEKFEAVTAA PRARAKKAIA AHLETLTGKS LFMFPDSQLE DATA SEQUENCE IPLARFLARE CGMKTTEIAT PFLHKAIMAP DLALLPSNTA LTEGQDLEAQ DATA SEQUENCE LDRHEAINPD LTVCGLGLAN PLEAKGHATK WAIELVFTPV HFYEQAGDLA DATA SEQUENCE GLFSRPLRRR ALLNG 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.412 174.700 -0.480 0.000 1.109 7 T CA 0.000 61.922 62.100 -0.296 0.000 1.349 7 T CB 0.000 68.648 68.868 -0.367 0.000 0.612 8 F N 1.849 121.789 119.950 -0.017 0.000 2.507 8 F HA 0.784 5.311 4.527 -0.000 0.000 0.328 8 F C 0.720 176.511 175.800 -0.015 0.000 1.136 8 F CA -0.285 57.705 58.000 -0.017 0.000 0.930 8 F CB 2.103 41.094 39.000 -0.014 0.000 1.166 8 F HN 0.541 nan 8.300 nan 0.000 0.436 9 G N 1.456 110.367 108.800 0.184 0.000 2.693 9 G HA2 0.059 4.019 3.960 -0.000 0.000 0.290 9 G HA3 0.059 4.019 3.960 -0.000 0.000 0.290 9 G C -0.728 174.204 174.900 0.052 0.000 1.378 9 G CA -1.054 44.104 45.100 0.096 0.000 1.120 9 G HN 0.770 nan 8.290 nan 0.000 0.609 10 C N 2.455 121.780 119.300 0.042 0.000 2.881 10 C HA 0.291 4.751 4.460 -0.000 0.000 0.290 10 C C 2.559 177.554 174.990 0.009 0.000 1.362 10 C CA 0.648 59.676 59.018 0.017 0.000 1.757 10 C CB -1.030 26.717 27.740 0.012 0.000 2.265 10 C HN 0.879 nan 8.230 nan 0.000 0.600 11 T N 1.345 115.906 114.554 0.013 0.000 2.620 11 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 11 T C 0.916 175.614 174.700 -0.003 0.000 1.044 11 T CA 1.827 63.930 62.100 0.006 0.000 1.161 11 T CB -0.201 68.671 68.868 0.007 0.000 0.862 11 T HN 0.552 nan 8.240 nan 0.000 0.438 12 D N 1.123 121.520 120.400 -0.004 0.000 2.395 12 D HA 0.227 4.867 4.640 -0.000 0.000 0.226 12 D C 0.004 176.296 176.300 -0.013 0.000 1.146 12 D CA 0.057 54.052 54.000 -0.009 0.000 0.830 12 D CB 0.124 40.919 40.800 -0.008 0.000 0.958 12 D HN 0.173 nan 8.370 nan 0.000 0.501 13 S N 2.444 118.136 115.700 -0.014 0.000 2.528 13 S HA 0.213 4.683 4.470 -0.000 0.000 0.277 13 S C -2.121 172.464 174.600 -0.024 0.000 1.297 13 S CA -0.975 57.213 58.200 -0.019 0.000 1.052 13 S CB 1.007 64.195 63.200 -0.020 0.000 0.917 13 S HN 0.106 nan 8.310 nan 0.000 0.492 14 P HA 0.097 nan 4.420 nan 0.000 0.270 14 P C -0.480 176.800 177.300 -0.032 0.000 1.242 14 P CA -0.193 62.891 63.100 -0.026 0.000 0.768 14 P CB 0.477 32.164 31.700 -0.022 0.000 0.820 15 V N 4.777 124.668 119.914 -0.038 0.000 2.509 15 V HA 0.312 4.432 4.120 -0.000 0.000 0.284 15 V C 0.374 176.444 176.094 -0.041 0.000 1.047 15 V CA -0.998 61.275 62.300 -0.046 0.000 0.952 15 V CB 1.015 32.804 31.823 -0.058 0.000 0.988 15 V HN 0.544 nan 8.190 nan 0.000 0.469 16 R N 6.439 126.915 120.500 -0.040 0.000 2.242 16 R HA 0.359 4.699 4.340 -0.000 0.000 0.334 16 R C -0.467 175.818 176.300 -0.025 0.000 1.071 16 R CA -0.565 55.518 56.100 -0.029 0.000 0.922 16 R CB 0.335 30.618 30.300 -0.027 0.000 1.023 16 R HN 0.751 nan 8.270 nan 0.000 0.458 17 R N 3.839 124.328 120.500 -0.017 0.000 2.221 17 R HA 0.177 4.517 4.340 -0.000 0.000 0.327 17 R C -0.530 175.774 176.300 0.008 0.000 1.033 17 R CA -0.187 55.909 56.100 -0.008 0.000 0.887 17 R CB 1.094 31.390 30.300 -0.008 0.000 1.057 17 R HN 0.699 nan 8.270 nan 0.000 0.455 18 E N 2.708 122.919 120.200 0.019 0.000 2.308 18 E HA 0.374 4.724 4.350 -0.000 0.000 0.275 18 E C -1.242 175.383 176.600 0.041 0.000 0.890 18 E CA -0.846 55.572 56.400 0.029 0.000 0.754 18 E CB 2.013 31.730 29.700 0.028 0.000 1.207 18 E HN 0.583 nan 8.360 nan 0.000 0.426 19 R N 2.696 123.221 120.500 0.042 0.000 2.518 19 R HA 0.691 5.030 4.340 -0.000 0.000 0.287 19 R C -0.936 175.390 176.300 0.042 0.000 1.135 19 R CA -0.484 55.645 56.100 0.047 0.000 0.967 19 R CB 1.354 31.684 30.300 0.050 0.000 1.212 19 R HN 0.556 nan 8.270 nan 0.000 0.422 20 G N 1.283 110.109 108.800 0.044 0.000 2.694 20 G HA2 0.143 4.103 3.960 -0.000 0.000 0.246 20 G HA3 0.143 4.103 3.960 -0.000 0.000 0.246 20 G C -1.211 173.711 174.900 0.035 0.000 1.205 20 G CA -0.858 44.264 45.100 0.037 0.000 0.891 20 G HN 0.481 nan 8.290 nan 0.000 0.515 21 Q N 0.754 120.572 119.800 0.030 0.000 2.398 21 Q HA 0.057 4.397 4.340 -0.000 0.000 0.329 21 Q C -0.520 175.495 176.000 0.025 0.000 1.079 21 Q CA 1.081 56.897 55.803 0.022 0.000 1.041 21 Q CB 0.297 29.045 28.738 0.017 0.000 1.084 21 Q HN 0.245 nan 8.270 nan 0.000 0.386 22 K N 1.169 121.577 120.400 0.014 0.000 2.378 22 K HA 0.513 4.833 4.320 -0.000 0.000 0.252 22 K C -1.042 175.540 176.600 -0.030 0.000 0.931 22 K CA -0.517 55.776 56.287 0.011 0.000 0.794 22 K CB 1.999 34.515 32.500 0.025 0.000 1.181 22 K HN 0.541 nan 8.250 nan 0.000 0.425 23 A N 2.731 125.520 122.820 -0.051 0.000 3.232 23 A HA 0.390 4.710 4.320 -0.000 0.000 0.312 23 A C -0.216 177.257 177.584 -0.185 0.000 1.185 23 A CA -0.470 51.489 52.037 -0.130 0.000 1.011 23 A CB -0.318 18.590 19.000 -0.154 0.000 1.096 23 A HN 0.433 nan 8.150 nan 0.000 0.543 24 V N -3.490 116.318 119.914 -0.178 0.000 3.141 24 V HA 0.871 4.991 4.120 -0.000 0.000 0.312 24 V C -0.657 175.290 176.094 -0.244 0.000 1.157 24 V CA -1.320 60.862 62.300 -0.197 0.000 1.041 24 V CB 1.263 33.078 31.823 -0.014 0.000 1.071 24 V HN 0.222 nan 8.190 nan 0.000 0.441 25 F N 1.130 121.036 119.950 -0.073 0.000 2.380 25 F HA 0.730 5.257 4.527 -0.000 0.000 0.321 25 F C 1.124 176.944 175.800 0.032 0.000 1.103 25 F CA -0.113 57.849 58.000 -0.063 0.000 1.067 25 F CB 0.937 39.822 39.000 -0.192 0.000 1.265 25 F HN 1.056 nan 8.300 nan 0.000 0.517 26 C N -0.215 119.263 119.300 0.296 0.000 2.411 26 C HA 0.660 5.120 4.460 -0.000 0.000 0.358 26 C C 1.731 176.831 174.990 0.184 0.000 1.349 26 C CA -0.107 59.021 59.018 0.185 0.000 2.326 26 C CB 0.379 28.192 27.740 0.121 0.000 2.166 26 C HN 0.993 nan 8.230 nan 0.000 0.609 27 G N -0.203 108.670 108.800 0.123 0.000 2.471 27 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.219 27 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.219 27 G C 1.149 176.086 174.900 0.061 0.000 1.125 27 G CA 0.506 45.663 45.100 0.096 0.000 0.775 27 G HN 0.660 nan 8.290 nan 0.000 0.548 28 L N 1.990 123.234 121.223 0.034 0.000 2.051 28 L HA -0.162 4.178 4.340 -0.000 0.000 0.214 28 L C 3.257 180.048 176.870 -0.131 0.000 1.076 28 L CA 2.338 57.148 54.840 -0.051 0.000 0.758 28 L CB -1.356 40.668 42.059 -0.057 0.000 0.890 28 L HN 0.403 nan 8.230 nan 0.000 0.433 29 T N -2.947 111.560 114.554 -0.078 0.000 2.822 29 T HA -0.241 4.109 4.350 -0.000 0.000 0.270 29 T C 2.036 176.720 174.700 -0.027 0.000 1.064 29 T CA 1.333 63.361 62.100 -0.120 0.000 1.131 29 T CB -0.922 67.857 68.868 -0.149 0.000 0.858 29 T HN 0.522 nan 8.240 nan 0.000 0.483 30 S N 2.261 117.950 115.700 -0.018 0.000 2.387 30 S HA -0.148 4.322 4.470 -0.000 0.000 0.230 30 S C 2.001 176.466 174.600 -0.226 0.000 1.035 30 S CA 1.187 59.321 58.200 -0.109 0.000 1.014 30 S CB -1.059 62.030 63.200 -0.185 0.000 0.836 30 S HN 0.598 nan 8.310 nan 0.000 0.466 31 I N 1.248 121.584 120.570 -0.389 0.000 2.335 31 I HA -0.142 4.028 4.170 -0.000 0.000 0.251 31 I C 2.441 178.222 176.117 -0.561 0.000 1.129 31 I CA 0.982 61.877 61.300 -0.676 0.000 1.402 31 I CB -0.469 37.101 38.000 -0.718 0.000 1.069 31 I HN 0.230 nan 8.210 nan 0.000 0.424 32 V N -0.161 119.385 119.914 -0.614 0.000 2.392 32 V HA -0.271 3.849 4.120 -0.000 0.000 0.249 32 V C 1.965 177.659 176.094 -0.666 0.000 1.059 32 V CA 1.823 63.641 62.300 -0.803 0.000 1.051 32 V CB -0.418 30.608 31.823 -1.330 0.000 0.658 32 V HN 0.544 nan 8.190 nan 0.000 0.455 33 W N -2.186 119.018 121.300 -0.160 0.000 2.792 33 W HA 0.227 4.887 4.660 -0.000 0.000 0.262 33 W C 1.970 178.354 176.519 -0.224 0.000 1.212 33 W CA -0.233 57.009 57.345 -0.173 0.000 1.433 33 W CB -0.437 28.980 29.460 -0.072 0.000 1.004 33 W HN 0.225 nan 8.180 nan 0.000 0.608 34 L N 1.333 122.516 121.223 -0.067 0.000 2.013 34 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 34 L C 2.614 179.398 176.870 -0.143 0.000 1.073 34 L CA 2.887 57.629 54.840 -0.163 0.000 0.753 34 L CB -1.420 40.431 42.059 -0.347 0.000 0.890 34 L HN 0.205 nan 8.230 nan 0.000 0.432 35 H N -1.836 117.085 119.070 -0.248 0.000 2.387 35 H HA -0.095 4.461 4.556 -0.000 0.000 0.299 35 H C 2.127 177.517 175.328 0.104 0.000 1.090 35 H CA 1.428 57.506 56.048 0.049 0.000 1.332 35 H CB -0.462 29.339 29.762 0.064 0.000 1.386 35 H HN 0.232 nan 8.280 nan 0.000 0.516 36 R N 0.394 120.486 120.500 -0.681 0.000 2.133 36 R HA -0.133 4.207 4.340 -0.000 0.000 0.247 36 R C 2.079 178.322 176.300 -0.095 0.000 1.151 36 R CA 1.428 57.300 56.100 -0.379 0.000 0.971 36 R CB -0.185 29.931 30.300 -0.305 0.000 0.866 36 R HN 0.347 nan 8.270 nan 0.000 0.447 37 K N 0.487 120.859 120.400 -0.045 0.000 2.116 37 K HA 0.065 4.385 4.320 -0.000 0.000 0.203 37 K C 0.849 177.483 176.600 0.055 0.000 1.052 37 K CA 0.741 57.034 56.287 0.010 0.000 0.952 37 K CB 0.194 32.700 32.500 0.011 0.000 0.729 37 K HN 0.119 nan 8.250 nan 0.000 0.446 38 M N 2.104 121.774 119.600 0.115 0.000 3.117 38 M HA 0.114 4.594 4.480 -0.000 0.000 0.292 38 M C 0.700 177.110 176.300 0.183 0.000 1.357 38 M CA -0.088 55.311 55.300 0.165 0.000 1.463 38 M CB 0.973 33.725 32.600 0.254 0.000 1.105 38 M HN -0.004 nan 8.290 nan 0.000 0.553 39 Q N 0.086 119.961 119.800 0.126 0.000 2.248 39 Q HA -0.212 4.128 4.340 -0.000 0.000 0.208 39 Q C 0.983 177.065 176.000 0.136 0.000 0.984 39 Q CA 1.199 57.076 55.803 0.122 0.000 0.875 39 Q CB 0.079 28.866 28.738 0.082 0.000 0.910 39 Q HN 0.583 nan 8.270 nan 0.000 0.433 40 D N -0.871 119.604 120.400 0.125 0.000 2.350 40 D HA 0.169 4.809 4.640 -0.000 0.000 0.213 40 D C -0.562 175.803 176.300 0.108 0.000 1.031 40 D CA 0.078 54.136 54.000 0.098 0.000 0.861 40 D CB 0.415 41.255 40.800 0.068 0.000 0.926 40 D HN 0.210 nan 8.370 nan 0.000 0.520 41 A N -0.268 122.650 122.820 0.164 0.000 2.330 41 A HA 0.634 4.954 4.320 -0.000 0.000 0.329 41 A C -1.254 176.453 177.584 0.206 0.000 1.135 41 A CA -0.585 51.538 52.037 0.144 0.000 0.817 41 A CB 1.090 20.203 19.000 0.189 0.000 1.269 41 A HN 0.099 nan 8.150 nan 0.000 0.469 42 F N 0.234 120.160 119.950 -0.041 0.000 2.551 42 F HA 0.733 5.260 4.527 -0.000 0.000 0.316 42 F C -1.681 174.087 175.800 -0.054 0.000 1.089 42 F CA -1.097 56.927 58.000 0.041 0.000 0.915 42 F CB 1.697 40.712 39.000 0.025 0.000 1.186 42 F HN 0.415 nan 8.300 nan 0.000 0.456 43 F N 6.878 126.713 119.950 -0.191 0.000 2.347 43 F HA 0.455 4.982 4.527 -0.000 0.000 0.366 43 F C -0.789 175.033 175.800 0.038 0.000 1.107 43 F CA -0.846 57.191 58.000 0.063 0.000 1.058 43 F CB 1.462 40.448 39.000 -0.022 0.000 1.236 43 F HN 0.248 nan 8.300 nan 0.000 0.456 44 L N 5.552 127.014 121.223 0.398 0.000 2.272 44 L HA 0.547 4.887 4.340 -0.000 0.000 0.284 44 L C -0.661 176.323 176.870 0.191 0.000 1.045 44 L CA -0.484 54.572 54.840 0.361 0.000 0.842 44 L CB 0.606 42.874 42.059 0.348 0.000 1.224 44 L HN 0.318 nan 8.230 nan 0.000 0.430 45 V N 5.852 125.850 119.914 0.140 0.000 2.585 45 V HA 0.110 4.230 4.120 -0.000 0.000 0.296 45 V C 0.229 176.362 176.094 0.065 0.000 1.035 45 V CA -0.284 62.053 62.300 0.061 0.000 1.084 45 V CB 1.089 32.932 31.823 0.033 0.000 0.953 45 V HN 0.487 nan 8.190 nan 0.000 0.483 46 V N 5.675 125.612 119.914 0.039 0.000 2.318 46 V HA 0.848 4.968 4.120 -0.000 0.000 0.271 46 V C 0.688 176.798 176.094 0.026 0.000 1.030 46 V CA 0.741 63.065 62.300 0.039 0.000 0.844 46 V CB 0.322 32.168 31.823 0.037 0.000 1.015 46 V HN 1.145 nan 8.190 nan 0.000 0.460 47 G N 3.139 111.957 108.800 0.029 0.000 2.529 47 G HA2 0.429 4.389 3.960 -0.000 0.000 0.238 47 G HA3 0.429 4.389 3.960 -0.000 0.000 0.238 47 G C -0.797 174.119 174.900 0.027 0.000 1.207 47 G CA -0.091 45.023 45.100 0.024 0.000 0.928 47 G HN 0.526 nan 8.290 nan 0.000 0.495 48 S N -1.254 114.463 115.700 0.028 0.000 2.693 48 S HA 0.406 4.876 4.470 -0.000 0.000 0.276 48 S C 1.580 176.200 174.600 0.034 0.000 1.192 48 S CA -0.152 58.063 58.200 0.026 0.000 0.994 48 S CB 1.483 64.699 63.200 0.026 0.000 1.012 48 S HN 0.650 nan 8.310 nan 0.000 0.550 49 R N 0.422 120.938 120.500 0.026 0.000 2.152 49 R HA -0.082 4.258 4.340 -0.000 0.000 0.232 49 R C 1.702 178.034 176.300 0.054 0.000 1.117 49 R CA 2.015 58.133 56.100 0.030 0.000 0.981 49 R CB -0.778 29.522 30.300 0.000 0.000 0.870 49 R HN 0.705 nan 8.270 nan 0.000 0.451 50 T N -0.136 114.446 114.554 0.047 0.000 2.720 50 T HA -0.186 4.163 4.350 -0.000 0.000 0.268 50 T C 1.927 176.694 174.700 0.111 0.000 1.037 50 T CA 1.535 63.686 62.100 0.084 0.000 1.144 50 T CB -0.328 68.574 68.868 0.056 0.000 0.864 50 T HN 0.420 nan 8.240 nan 0.000 0.444 51 C N 1.625 120.967 119.300 0.071 0.000 2.440 51 C HA 0.204 4.664 4.460 -0.000 0.000 0.278 51 C C 3.242 178.261 174.990 0.048 0.000 1.295 51 C CA 0.078 59.125 59.018 0.049 0.000 1.738 51 C CB -1.469 26.290 27.740 0.032 0.000 1.987 51 C HN 0.644 nan 8.230 nan 0.000 0.492 52 A N -0.374 122.488 122.820 0.071 0.000 1.930 52 A HA -0.225 4.094 4.320 -0.000 0.000 0.217 52 A C 2.104 179.748 177.584 0.100 0.000 1.175 52 A CA 1.680 53.765 52.037 0.080 0.000 0.627 52 A CB -1.104 17.944 19.000 0.080 0.000 0.815 52 A HN 0.812 nan 8.150 nan 0.000 0.443 53 H N -0.676 118.399 119.070 0.007 0.000 2.353 53 H HA -0.132 4.424 4.556 -0.000 0.000 0.300 53 H C 2.093 177.423 175.328 0.002 0.000 1.090 53 H CA 1.713 57.764 56.048 0.005 0.000 1.327 53 H CB -0.025 29.743 29.762 0.010 0.000 1.383 53 H HN 0.414 nan 8.280 nan 0.000 0.508 54 L N 0.909 122.134 121.223 0.004 0.000 1.989 54 L HA -0.174 4.166 4.340 -0.000 0.000 0.211 54 L C 2.404 179.203 176.870 -0.117 0.000 1.071 54 L CA 1.394 56.201 54.840 -0.055 0.000 0.749 54 L CB -0.709 41.357 42.059 0.013 0.000 0.890 54 L HN 0.232 nan 8.230 nan 0.000 0.431 55 L N -0.641 120.517 121.223 -0.108 0.000 2.042 55 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 55 L C 2.784 179.577 176.870 -0.129 0.000 1.076 55 L CA 1.853 56.577 54.840 -0.193 0.000 0.749 55 L CB -0.590 41.372 42.059 -0.162 0.000 0.893 55 L HN 0.515 nan 8.230 nan 0.000 0.432 56 Q N -0.305 119.456 119.800 -0.065 0.000 2.030 56 Q HA -0.272 4.068 4.340 -0.000 0.000 0.204 56 Q C 2.297 178.211 176.000 -0.143 0.000 0.986 56 Q CA 2.077 57.826 55.803 -0.091 0.000 0.843 56 Q CB -0.158 28.538 28.738 -0.070 0.000 0.904 56 Q HN 0.532 nan 8.270 nan 0.000 0.420 57 A N 0.640 123.349 122.820 -0.184 0.000 1.892 57 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 57 A C 2.255 179.776 177.584 -0.105 0.000 1.188 57 A CA 2.062 54.007 52.037 -0.154 0.000 0.631 57 A CB -1.110 17.781 19.000 -0.182 0.000 0.822 57 A HN 0.582 nan 8.150 nan 0.000 0.447 58 A N -0.542 122.188 122.820 -0.151 0.000 1.929 58 A HA 0.266 4.586 4.320 -0.000 0.000 0.216 58 A C 2.451 179.890 177.584 -0.241 0.000 1.176 58 A CA 1.780 53.706 52.037 -0.184 0.000 0.628 58 A CB -0.883 17.908 19.000 -0.348 0.000 0.816 58 A HN 1.082 nan 8.150 nan 0.000 0.444 59 A N -1.012 121.643 122.820 -0.275 0.000 2.015 59 A HA 0.328 4.648 4.320 -0.000 0.000 0.219 59 A C 2.183 179.670 177.584 -0.161 0.000 1.163 59 A CA 1.749 53.630 52.037 -0.260 0.000 0.646 59 A CB -1.337 17.615 19.000 -0.081 0.000 0.806 59 A HN 1.866 nan 8.150 nan 0.000 0.448 60 G N -1.203 107.529 108.800 -0.112 0.000 2.651 60 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.315 60 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.315 60 G C 1.108 175.969 174.900 -0.065 0.000 1.258 60 G CA 1.008 46.075 45.100 -0.054 0.000 1.002 60 G HN 0.834 nan 8.290 nan 0.000 0.551 61 V N 1.609 121.540 119.914 0.029 0.000 2.913 61 V HA -0.084 4.036 4.120 -0.000 0.000 0.260 61 V C 2.791 178.926 176.094 0.070 0.000 1.098 61 V CA 2.639 65.022 62.300 0.137 0.000 1.121 61 V CB -0.361 31.553 31.823 0.152 0.000 0.714 61 V HN 0.577 nan 8.190 nan 0.000 0.487 62 M N -0.650 118.931 119.600 -0.032 0.000 2.149 62 M HA -0.210 4.270 4.480 -0.000 0.000 0.261 62 M C 2.050 178.270 176.300 -0.135 0.000 1.064 62 M CA 1.903 57.174 55.300 -0.047 0.000 1.102 62 M CB -0.256 32.308 32.600 -0.059 0.000 1.369 62 M HN 0.350 nan 8.290 nan 0.000 0.408 63 I N 0.419 120.816 120.570 -0.288 0.000 2.381 63 I HA -0.304 3.866 4.170 -0.000 0.000 0.255 63 I C 1.004 176.818 176.117 -0.505 0.000 1.140 63 I CA 1.747 62.759 61.300 -0.481 0.000 1.404 63 I CB -0.250 37.361 38.000 -0.648 0.000 1.075 63 I HN 0.255 nan 8.210 nan 0.000 0.433 64 F N -0.142 119.776 119.950 -0.054 0.000 2.765 64 F HA 0.343 4.870 4.527 -0.000 0.000 0.302 64 F C 1.826 177.599 175.800 -0.044 0.000 1.111 64 F CA 0.397 58.370 58.000 -0.045 0.000 1.359 64 F CB -0.679 38.305 39.000 -0.026 0.000 1.097 64 F HN 0.028 nan 8.300 nan 0.000 0.577 65 A N 0.113 122.965 122.820 0.052 0.000 2.684 65 A HA 0.247 4.567 4.320 -0.000 0.000 0.288 65 A C 0.541 178.118 177.584 -0.012 0.000 1.337 65 A CA -0.321 51.738 52.037 0.036 0.000 0.946 65 A CB -1.022 18.003 19.000 0.042 0.000 1.093 65 A HN 0.423 nan 8.150 nan 0.000 0.543 66 E N 0.500 120.672 120.200 -0.046 0.000 2.160 66 E HA -0.165 4.185 4.350 -0.000 0.000 0.180 66 E C -2.053 174.476 176.600 -0.120 0.000 1.452 66 E CA 0.330 56.684 56.400 -0.076 0.000 0.683 66 E CB -1.439 28.252 29.700 -0.016 0.000 1.072 66 E HN 0.646 nan 8.360 nan 0.000 0.332 67 P HA 0.031 nan 4.420 nan 0.000 0.272 67 P C -0.183 176.854 177.300 -0.438 0.000 1.240 67 P CA -0.045 62.830 63.100 -0.375 0.000 0.791 67 P CB 0.594 31.851 31.700 -0.740 0.000 0.978 68 R N 1.227 121.507 120.500 -0.368 0.000 4.394 68 R HA 0.313 4.653 4.340 -0.000 0.000 0.257 68 R C -0.069 175.709 176.300 -0.871 0.000 1.727 68 R CA -0.067 55.879 56.100 -0.256 0.000 1.497 68 R CB -0.925 29.460 30.300 0.143 0.000 1.406 68 R HN 0.519 nan 8.270 nan 0.000 0.745 69 F N -2.773 116.586 119.950 -0.985 0.000 2.685 69 F HA 0.874 5.401 4.527 -0.000 0.000 0.315 69 F C -0.201 175.329 175.800 -0.450 0.000 1.126 69 F CA -1.079 56.335 58.000 -0.977 0.000 0.950 69 F CB 1.401 40.047 39.000 -0.589 0.000 1.360 69 F HN 0.030 nan 8.300 nan 0.000 0.469 70 G N -0.216 108.672 108.800 0.146 0.000 2.322 70 G HA2 0.496 4.456 3.960 -0.000 0.000 0.295 70 G HA3 0.496 4.456 3.960 -0.000 0.000 0.295 70 G C -1.925 173.120 174.900 0.242 0.000 1.369 70 G CA -0.241 44.996 45.100 0.228 0.000 0.821 70 G HN 1.210 nan 8.290 nan 0.000 0.536 71 T N -1.830 112.826 114.554 0.171 0.000 2.876 71 T HA 0.744 5.094 4.350 -0.000 0.000 0.289 71 T C 0.056 174.817 174.700 0.103 0.000 1.014 71 T CA 0.462 62.640 62.100 0.131 0.000 0.986 71 T CB 1.632 70.554 68.868 0.091 0.000 1.021 71 T HN 1.983 nan 8.240 nan 0.000 0.458 72 A N 3.668 126.542 122.820 0.090 0.000 2.415 72 A HA 0.570 4.890 4.320 -0.000 0.000 0.309 72 A C 0.621 178.234 177.584 0.048 0.000 1.356 72 A CA -0.600 51.475 52.037 0.062 0.000 0.998 72 A CB -0.749 18.286 19.000 0.058 0.000 1.145 72 A HN 1.527 nan 8.150 nan 0.000 0.545 73 V N 3.987 123.925 119.914 0.040 0.000 2.498 73 V HA 0.451 4.571 4.120 -0.000 0.000 0.279 73 V C -0.094 176.013 176.094 0.022 0.000 1.048 73 V CA -0.926 61.392 62.300 0.031 0.000 0.967 73 V CB 0.527 32.368 31.823 0.030 0.000 0.988 73 V HN 0.557 nan 8.190 nan 0.000 0.473 74 L N 5.646 126.880 121.223 0.018 0.000 2.540 74 L HA 0.307 4.647 4.340 -0.000 0.000 0.276 74 L C 0.770 177.645 176.870 0.008 0.000 1.212 74 L CA 0.782 55.629 54.840 0.011 0.000 0.893 74 L CB -0.504 41.560 42.059 0.008 0.000 1.138 74 L HN 0.812 nan 8.230 nan 0.000 0.491 75 E N 2.178 122.381 120.200 0.005 0.000 2.250 75 E HA 0.130 4.480 4.350 -0.000 0.000 0.269 75 E C 0.485 177.085 176.600 0.000 0.000 1.018 75 E CA -0.594 55.808 56.400 0.003 0.000 0.873 75 E CB 1.191 30.893 29.700 0.003 0.000 1.134 75 E HN 0.512 nan 8.360 nan 0.000 0.403 76 E N 1.242 121.442 120.200 -0.001 0.000 2.136 76 E HA -0.318 4.031 4.350 -0.000 0.000 0.202 76 E C 1.929 178.528 176.600 -0.003 0.000 1.019 76 E CA 2.055 58.454 56.400 -0.002 0.000 0.819 76 E CB 0.074 29.773 29.700 -0.002 0.000 0.739 76 E HN 0.517 nan 8.360 nan 0.000 0.458 77 Q N -0.224 119.575 119.800 -0.002 0.000 2.364 77 Q HA -0.174 4.166 4.340 -0.000 0.000 0.209 77 Q C 0.721 176.718 176.000 -0.005 0.000 0.977 77 Q CA 1.355 57.156 55.803 -0.003 0.000 0.885 77 Q CB 0.138 28.875 28.738 -0.002 0.000 0.941 77 Q HN 0.240 nan 8.270 nan 0.000 0.464 78 D N 0.777 121.174 120.400 -0.006 0.000 2.348 78 D HA 0.089 4.729 4.640 -0.000 0.000 0.211 78 D C 1.852 178.144 176.300 -0.014 0.000 0.998 78 D CA 0.378 54.372 54.000 -0.010 0.000 0.873 78 D CB 0.260 41.056 40.800 -0.008 0.000 0.925 78 D HN 0.318 nan 8.370 nan 0.000 0.524 79 L N 0.684 121.901 121.223 -0.010 0.000 2.102 79 L HA 0.155 4.495 4.340 -0.000 0.000 0.202 79 L C 1.284 178.148 176.870 -0.010 0.000 1.076 79 L CA 0.054 54.888 54.840 -0.010 0.000 0.761 79 L CB -0.660 41.396 42.059 -0.006 0.000 0.921 79 L HN -0.154 nan 8.230 nan 0.000 0.444 80 A N 1.439 124.254 122.820 -0.008 0.000 2.592 80 A HA 0.106 4.426 4.320 -0.000 0.000 0.250 80 A C 1.192 178.769 177.584 -0.011 0.000 1.017 80 A CA 0.526 52.559 52.037 -0.008 0.000 0.794 80 A CB -0.443 18.553 19.000 -0.006 0.000 0.917 80 A HN 0.436 nan 8.150 nan 0.000 0.515 81 G N 1.558 110.352 108.800 -0.010 0.000 2.641 81 G HA2 0.310 4.270 3.960 -0.000 0.000 0.278 81 G HA3 0.310 4.270 3.960 -0.000 0.000 0.278 81 G C -0.237 174.654 174.900 -0.014 0.000 0.655 81 G CA 0.265 45.358 45.100 -0.012 0.000 2.105 81 G HN 0.800 nan 8.290 nan 0.000 0.558 82 L N 1.570 122.781 121.223 -0.020 0.000 2.534 82 L HA 0.537 4.877 4.340 -0.000 0.000 0.259 82 L C 0.595 177.447 176.870 -0.031 0.000 1.108 82 L CA -0.446 54.382 54.840 -0.019 0.000 0.905 82 L CB 1.086 43.138 42.059 -0.011 0.000 1.138 82 L HN 0.348 nan 8.230 nan 0.000 0.475 83 A N 2.026 124.819 122.820 -0.046 0.000 2.584 83 A HA 0.236 4.556 4.320 -0.000 0.000 0.239 83 A C -0.382 177.192 177.584 -0.016 0.000 1.043 83 A CA 0.475 52.478 52.037 -0.056 0.000 0.756 83 A CB -0.365 18.598 19.000 -0.061 0.000 0.963 83 A HN 0.689 nan 8.150 nan 0.000 0.511 84 D N 1.989 122.388 120.400 -0.002 0.000 2.217 84 D HA 0.579 5.219 4.640 -0.000 0.000 0.243 84 D C 0.924 177.219 176.300 -0.007 0.000 1.054 84 D CA 0.497 54.496 54.000 -0.001 0.000 0.838 84 D CB 1.467 42.301 40.800 0.057 0.000 1.162 84 D HN 1.083 nan 8.370 nan 0.000 0.472 85 A N 1.957 124.761 122.820 -0.027 0.000 3.386 85 A HA -0.390 3.930 4.320 -0.000 0.000 0.340 85 A C 1.654 179.221 177.584 -0.029 0.000 1.797 85 A CA 1.509 53.499 52.037 -0.079 0.000 0.939 85 A CB -1.699 17.192 19.000 -0.181 0.000 1.453 85 A HN 0.753 nan 8.150 nan 0.000 0.623 86 H N 0.510 119.586 119.070 0.009 0.000 2.524 86 H HA 0.040 4.596 4.556 -0.000 0.000 0.282 86 H C 1.938 177.272 175.328 0.009 0.000 1.016 86 H CA 1.641 57.695 56.048 0.009 0.000 1.270 86 H CB -0.053 29.714 29.762 0.008 0.000 1.394 86 H HN 0.736 nan 8.280 nan 0.000 0.568 87 K N 0.361 120.831 120.400 0.117 0.000 2.098 87 K HA -0.072 4.248 4.320 -0.000 0.000 0.203 87 K C 1.985 178.616 176.600 0.052 0.000 1.051 87 K CA 0.454 56.782 56.287 0.068 0.000 0.957 87 K CB 0.457 32.983 32.500 0.044 0.000 0.738 87 K HN -0.043 nan 8.250 nan 0.000 0.447 88 E N 1.094 121.320 120.200 0.043 0.000 2.021 88 E HA -0.236 4.114 4.350 -0.000 0.000 0.200 88 E C 1.966 178.591 176.600 0.041 0.000 1.015 88 E CA 1.242 57.661 56.400 0.032 0.000 0.824 88 E CB -0.519 29.194 29.700 0.021 0.000 0.762 88 E HN 0.227 nan 8.360 nan 0.000 0.454 89 L N 1.673 122.931 121.223 0.059 0.000 2.137 89 L HA -0.224 4.116 4.340 -0.000 0.000 0.213 89 L C 1.523 178.428 176.870 0.058 0.000 1.085 89 L CA 1.976 56.856 54.840 0.067 0.000 0.760 89 L CB -0.465 41.659 42.059 0.108 0.000 0.893 89 L HN 0.003 nan 8.230 nan 0.000 0.434 90 D N -0.848 119.590 120.400 0.064 0.000 2.120 90 D HA -0.124 4.516 4.640 -0.000 0.000 0.202 90 D C 2.247 178.577 176.300 0.049 0.000 0.972 90 D CA 1.519 55.553 54.000 0.058 0.000 0.837 90 D CB -0.039 40.792 40.800 0.052 0.000 0.989 90 D HN 0.503 nan 8.370 nan 0.000 0.469 91 R N 0.499 121.020 120.500 0.035 0.000 2.189 91 R HA 0.052 4.392 4.340 -0.000 0.000 0.218 91 R C 1.747 178.056 176.300 0.014 0.000 1.074 91 R CA 0.894 57.008 56.100 0.024 0.000 0.991 91 R CB -0.225 30.084 30.300 0.016 0.000 0.883 91 R HN -0.045 nan 8.270 nan 0.000 0.457 92 E N 0.849 121.058 120.200 0.015 0.000 2.208 92 E HA -0.043 4.307 4.350 -0.000 0.000 0.193 92 E C 1.690 178.279 176.600 -0.018 0.000 0.988 92 E CA 0.824 57.226 56.400 0.003 0.000 0.828 92 E CB 0.132 29.840 29.700 0.015 0.000 0.763 92 E HN 0.213 nan 8.360 nan 0.000 0.478 93 V N 0.026 119.933 119.914 -0.012 0.000 2.379 93 V HA -0.095 4.025 4.120 -0.000 0.000 0.243 93 V C 2.189 178.243 176.094 -0.068 0.000 1.035 93 V CA 1.468 63.733 62.300 -0.058 0.000 1.035 93 V CB -0.552 31.239 31.823 -0.053 0.000 0.673 93 V HN 0.370 nan 8.190 nan 0.000 0.457 94 A N -0.415 122.417 122.820 0.020 0.000 1.933 94 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 94 A C 2.303 179.888 177.584 0.002 0.000 1.175 94 A CA 2.157 54.236 52.037 0.070 0.000 0.628 94 A CB -0.465 18.592 19.000 0.095 0.000 0.814 94 A HN 0.489 nan 8.150 nan 0.000 0.444 95 K N -0.584 119.803 120.400 -0.021 0.000 2.097 95 K HA -0.031 4.288 4.320 -0.000 0.000 0.205 95 K C 1.942 178.496 176.600 -0.077 0.000 1.050 95 K CA 1.127 57.391 56.287 -0.038 0.000 0.938 95 K CB -0.216 32.267 32.500 -0.030 0.000 0.718 95 K HN 0.521 nan 8.250 nan 0.000 0.442 96 L N 0.930 122.080 121.223 -0.122 0.000 2.023 96 L HA -0.129 4.211 4.340 -0.000 0.000 0.205 96 L C 2.012 178.742 176.870 -0.233 0.000 1.073 96 L CA 1.216 55.923 54.840 -0.223 0.000 0.745 96 L CB -0.178 41.691 42.059 -0.317 0.000 0.900 96 L HN 0.261 nan 8.230 nan 0.000 0.435 97 L N -0.368 120.739 121.223 -0.194 0.000 2.362 97 L HA -0.185 4.155 4.340 -0.000 0.000 0.219 97 L C 2.189 179.017 176.870 -0.071 0.000 1.134 97 L CA 0.789 55.541 54.840 -0.148 0.000 0.807 97 L CB -0.270 41.691 42.059 -0.164 0.000 0.927 97 L HN 0.378 nan 8.230 nan 0.000 0.447 98 E N -0.160 120.003 120.200 -0.061 0.000 2.442 98 E HA -0.076 4.274 4.350 -0.000 0.000 0.195 98 E C 2.115 178.688 176.600 -0.046 0.000 1.030 98 E CA -0.047 56.330 56.400 -0.039 0.000 0.869 98 E CB 0.315 29.999 29.700 -0.026 0.000 0.857 98 E HN 0.369 nan 8.360 nan 0.000 0.505 99 R N -0.051 120.408 120.500 -0.068 0.000 2.096 99 R HA -0.036 4.304 4.340 -0.000 0.000 0.235 99 R C 1.088 177.367 176.300 -0.035 0.000 1.127 99 R CA 1.330 57.395 56.100 -0.058 0.000 0.968 99 R CB 0.078 30.332 30.300 -0.076 0.000 0.861 99 R HN -0.093 nan 8.270 nan 0.000 0.440 100 R N -3.393 117.091 120.500 -0.027 0.000 2.148 100 R HA -0.044 4.296 4.340 -0.000 0.000 0.479 100 R C -2.332 173.965 176.300 -0.005 0.000 0.538 100 R CA 0.115 56.193 56.100 -0.036 0.000 1.269 100 R CB -0.875 29.357 30.300 -0.115 0.000 2.029 100 R HN 0.196 nan 8.270 nan 0.000 0.328 101 P HA 0.007 nan 4.420 nan 0.000 0.233 101 P C 0.260 177.652 177.300 0.153 0.000 1.167 101 P CA 0.829 63.954 63.100 0.042 0.000 0.770 101 P CB 0.283 31.967 31.700 -0.027 0.000 0.837 102 D N -0.187 120.278 120.400 0.108 0.000 2.224 102 D HA 0.007 4.647 4.640 -0.000 0.000 0.205 102 D C 0.847 177.211 176.300 0.107 0.000 0.965 102 D CA 0.415 54.488 54.000 0.122 0.000 0.852 102 D CB -0.540 40.310 40.800 0.084 0.000 0.947 102 D HN 0.164 nan 8.370 nan 0.000 0.494 103 I N 0.325 120.947 120.570 0.087 0.000 2.648 103 I HA -0.016 4.154 4.170 -0.000 0.000 0.284 103 I C 1.557 177.641 176.117 -0.055 0.000 1.153 103 I CA 0.629 61.957 61.300 0.047 0.000 1.426 103 I CB 0.946 38.978 38.000 0.053 0.000 1.381 103 I HN -0.265 nan 8.210 nan 0.000 0.571 104 R N 2.722 123.169 120.500 -0.089 0.000 2.435 104 R HA 0.306 4.645 4.340 -0.000 0.000 0.221 104 R C -0.382 175.830 176.300 -0.147 0.000 0.885 104 R CA 0.233 56.212 56.100 -0.203 0.000 1.018 104 R CB 0.541 30.744 30.300 -0.163 0.000 1.259 104 R HN 0.635 nan 8.270 nan 0.000 0.597 105 Q N 0.405 120.146 119.800 -0.099 0.000 2.337 105 Q HA 0.408 4.748 4.340 -0.000 0.000 0.270 105 Q C -1.854 174.000 176.000 -0.243 0.000 1.043 105 Q CA -0.911 54.797 55.803 -0.159 0.000 0.794 105 Q CB 2.770 31.421 28.738 -0.145 0.000 1.281 105 Q HN -0.032 nan 8.270 nan 0.000 0.446 106 L N 2.800 123.828 121.223 -0.324 0.000 2.349 106 L HA 0.569 4.909 4.340 -0.000 0.000 0.278 106 L C -1.857 174.811 176.870 -0.337 0.000 0.996 106 L CA -0.199 54.501 54.840 -0.233 0.000 0.825 106 L CB 0.831 42.806 42.059 -0.140 0.000 1.243 106 L HN 0.445 nan 8.230 nan 0.000 0.412 107 F N 5.578 125.507 119.950 -0.035 0.000 2.404 107 F HA 0.470 4.997 4.527 -0.000 0.000 0.354 107 F C -0.101 175.729 175.800 0.050 0.000 1.122 107 F CA -0.540 57.488 58.000 0.046 0.000 1.080 107 F CB 1.198 40.220 39.000 0.037 0.000 1.131 107 F HN 0.228 nan 8.300 nan 0.000 0.471 108 L N 5.082 126.416 121.223 0.184 0.000 2.268 108 L HA 0.384 4.724 4.340 -0.000 0.000 0.289 108 L C -0.661 176.201 176.870 -0.013 0.000 1.064 108 L CA -0.685 54.209 54.840 0.091 0.000 0.824 108 L CB 0.547 42.649 42.059 0.072 0.000 1.202 108 L HN 0.328 nan 8.230 nan 0.000 0.433 109 V N 2.884 122.748 119.914 -0.084 0.000 2.333 109 V HA 0.366 4.485 4.120 -0.000 0.000 0.274 109 V C 0.942 176.938 176.094 -0.164 0.000 1.028 109 V CA -0.610 61.495 62.300 -0.326 0.000 0.851 109 V CB 1.135 32.763 31.823 -0.325 0.000 1.000 109 V HN 0.819 nan 8.190 nan 0.000 0.456 110 G N 3.853 112.564 108.800 -0.147 0.000 2.442 110 G HA2 0.490 4.450 3.960 -0.000 0.000 0.249 110 G HA3 0.490 4.450 3.960 -0.000 0.000 0.249 110 G C 0.186 175.070 174.900 -0.027 0.000 1.263 110 G CA 0.236 45.309 45.100 -0.045 0.000 0.846 110 G HN 0.895 nan 8.290 nan 0.000 0.555 111 S N 0.096 115.795 115.700 -0.002 0.000 2.745 111 S HA 0.317 4.787 4.470 -0.000 0.000 0.306 111 S C 1.301 175.912 174.600 0.019 0.000 1.137 111 S CA -0.315 57.891 58.200 0.009 0.000 0.900 111 S CB 1.170 64.376 63.200 0.010 0.000 1.176 111 S HN 0.564 nan 8.310 nan 0.000 0.520 112 C N 1.294 120.609 119.300 0.024 0.000 2.388 112 C HA 0.036 4.496 4.460 -0.000 0.000 0.277 112 C C -0.420 174.582 174.990 0.020 0.000 1.210 112 C CA 1.623 60.657 59.018 0.025 0.000 1.743 112 C CB -2.304 25.452 27.740 0.028 0.000 2.047 112 C HN 0.762 nan 8.230 nan 0.000 0.458 113 P HA -0.116 nan 4.420 nan 0.000 0.215 113 P C 1.867 179.174 177.300 0.012 0.000 1.153 113 P CA 2.621 65.730 63.100 0.014 0.000 0.853 113 P CB -0.308 31.401 31.700 0.015 0.000 0.788 114 S N -0.750 114.957 115.700 0.013 0.000 2.442 114 S HA -0.174 4.296 4.470 -0.000 0.000 0.236 114 S C 1.816 176.424 174.600 0.013 0.000 1.007 114 S CA 1.248 59.454 58.200 0.011 0.000 0.965 114 S CB -0.920 62.288 63.200 0.014 0.000 0.773 114 S HN 0.189 nan 8.310 nan 0.000 0.504 115 E N 0.243 120.453 120.200 0.017 0.000 2.140 115 E HA 0.061 4.411 4.350 -0.000 0.000 0.191 115 E C 2.108 178.718 176.600 0.017 0.000 0.973 115 E CA 0.784 57.196 56.400 0.020 0.000 0.829 115 E CB -0.061 29.655 29.700 0.026 0.000 0.781 115 E HN 0.383 nan 8.360 nan 0.000 0.466 116 V N 1.802 121.725 119.914 0.015 0.000 2.295 116 V HA -0.167 3.953 4.120 -0.000 0.000 0.246 116 V C 1.230 177.329 176.094 0.008 0.000 1.049 116 V CA 1.041 63.348 62.300 0.013 0.000 1.024 116 V CB -0.370 31.461 31.823 0.013 0.000 0.648 116 V HN 0.217 nan 8.190 nan 0.000 0.447 117 L N 3.069 124.294 121.223 0.003 0.000 2.433 117 L HA 0.142 4.482 4.340 -0.000 0.000 0.275 117 L C 0.655 177.521 176.870 -0.005 0.000 1.128 117 L CA -0.254 54.583 54.840 -0.005 0.000 0.875 117 L CB 0.273 42.325 42.059 -0.012 0.000 1.171 117 L HN 0.285 nan 8.230 nan 0.000 0.463 118 K N 4.469 124.866 120.400 -0.004 0.000 2.199 118 K HA 0.154 4.474 4.320 -0.000 0.000 0.226 118 K C -0.508 176.088 176.600 -0.006 0.000 1.237 118 K CA -0.299 55.989 56.287 0.002 0.000 1.170 118 K CB -0.343 32.162 32.500 0.009 0.000 1.418 118 K HN 0.312 nan 8.250 nan 0.000 0.255 119 L N 2.349 123.567 121.223 -0.010 0.000 2.361 119 L HA 0.030 4.370 4.340 -0.000 0.000 0.278 119 L C 0.562 177.451 176.870 0.030 0.000 1.113 119 L CA 0.430 55.256 54.840 -0.024 0.000 0.849 119 L CB 0.587 42.633 42.059 -0.022 0.000 1.155 119 L HN 0.361 nan 8.230 nan 0.000 0.452 120 D N 3.631 124.070 120.400 0.066 0.000 2.619 120 D HA 0.042 4.682 4.640 -0.000 0.000 0.224 120 D C 1.022 177.433 176.300 0.186 0.000 1.133 120 D CA -0.179 53.903 54.000 0.136 0.000 1.017 120 D CB 0.427 41.331 40.800 0.173 0.000 1.077 120 D HN 0.287 nan 8.370 nan 0.000 0.503 121 L N 1.854 123.152 121.223 0.126 0.000 2.141 121 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 121 L C 1.792 178.713 176.870 0.086 0.000 1.094 121 L CA 1.095 56.002 54.840 0.112 0.000 0.763 121 L CB -0.468 41.638 42.059 0.078 0.000 0.908 121 L HN 0.223 nan 8.230 nan 0.000 0.437 122 D N -0.377 120.072 120.400 0.081 0.000 2.103 122 D HA -0.249 4.391 4.640 -0.000 0.000 0.190 122 D C 2.306 178.627 176.300 0.035 0.000 0.997 122 D CA 1.436 55.476 54.000 0.067 0.000 0.833 122 D CB -0.112 40.728 40.800 0.067 0.000 0.961 122 D HN 0.276 nan 8.370 nan 0.000 0.447 123 R N 0.739 121.259 120.500 0.033 0.000 2.120 123 R HA -0.053 4.287 4.340 -0.000 0.000 0.234 123 R C 2.023 178.272 176.300 -0.085 0.000 1.123 123 R CA 1.513 57.604 56.100 -0.015 0.000 0.975 123 R CB -0.174 30.129 30.300 0.005 0.000 0.866 123 R HN 0.104 nan 8.270 nan 0.000 0.446 124 A N 1.151 123.933 122.820 -0.064 0.000 1.877 124 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 124 A C 2.477 180.024 177.584 -0.062 0.000 1.186 124 A CA 1.597 53.573 52.037 -0.101 0.000 0.620 124 A CB -0.919 18.098 19.000 0.029 0.000 0.822 124 A HN 0.563 nan 8.150 nan 0.000 0.443 125 A N -0.136 122.667 122.820 -0.030 0.000 1.883 125 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 125 A C 1.958 179.488 177.584 -0.090 0.000 1.186 125 A CA 2.341 54.344 52.037 -0.056 0.000 0.624 125 A CB -0.650 18.333 19.000 -0.029 0.000 0.822 125 A HN 0.604 nan 8.150 nan 0.000 0.444 126 E N -0.097 120.059 120.200 -0.074 0.000 2.033 126 E HA -0.255 4.095 4.350 -0.000 0.000 0.199 126 E C 2.227 178.780 176.600 -0.077 0.000 1.011 126 E CA 2.034 58.389 56.400 -0.076 0.000 0.815 126 E CB -0.273 29.394 29.700 -0.056 0.000 0.755 126 E HN 0.554 nan 8.360 nan 0.000 0.451 127 R N -0.673 119.775 120.500 -0.086 0.000 2.070 127 R HA -0.127 4.213 4.340 -0.000 0.000 0.233 127 R C 2.178 178.449 176.300 -0.047 0.000 1.137 127 R CA 1.506 57.557 56.100 -0.083 0.000 0.945 127 R CB -0.371 29.851 30.300 -0.130 0.000 0.845 127 R HN 0.241 nan 8.270 nan 0.000 0.430 128 L N 0.704 121.911 121.223 -0.027 0.000 2.191 128 L HA -0.084 4.256 4.340 -0.000 0.000 0.212 128 L C 2.304 179.227 176.870 0.088 0.000 1.103 128 L CA 1.478 56.359 54.840 0.067 0.000 0.769 128 L CB -0.740 41.341 42.059 0.037 0.000 0.908 128 L HN 0.140 nan 8.230 nan 0.000 0.438 129 S N -0.484 115.200 115.700 -0.026 0.000 2.368 129 S HA -0.108 4.362 4.470 -0.000 0.000 0.224 129 S C 2.080 176.662 174.600 -0.030 0.000 1.029 129 S CA 1.055 59.221 58.200 -0.058 0.000 0.988 129 S CB -0.657 62.461 63.200 -0.137 0.000 0.838 129 S HN 0.572 nan 8.310 nan 0.000 0.462 130 G N 1.559 110.335 108.800 -0.040 0.000 2.469 130 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.219 130 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.219 130 G C 1.009 175.880 174.900 -0.049 0.000 1.150 130 G CA 0.851 45.925 45.100 -0.044 0.000 0.763 130 G HN 0.409 nan 8.290 nan 0.000 0.561 131 L N -0.446 120.746 121.223 -0.052 0.000 2.591 131 L HA 0.315 4.655 4.340 -0.000 0.000 0.228 131 L C 1.119 177.798 176.870 -0.318 0.000 1.133 131 L CA 0.669 55.413 54.840 -0.161 0.000 0.880 131 L CB -0.214 41.735 42.059 -0.183 0.000 1.033 131 L HN 0.306 nan 8.230 nan 0.000 0.450 132 H N -1.942 117.104 119.070 -0.040 0.000 3.182 132 H HA 0.501 5.057 4.556 -0.000 0.000 0.254 132 H C 0.759 176.081 175.328 -0.010 0.000 1.197 132 H CA 0.004 56.039 56.048 -0.021 0.000 1.061 132 H CB 0.593 30.339 29.762 -0.027 0.000 1.722 132 H HN 0.134 nan 8.280 nan 0.000 0.662 133 A N 1.663 124.516 122.820 0.055 0.000 2.406 133 A HA 0.223 4.543 4.320 -0.000 0.000 0.243 133 A C -0.848 176.761 177.584 0.041 0.000 1.082 133 A CA -0.792 51.261 52.037 0.028 0.000 0.786 133 A CB 0.219 19.215 19.000 -0.007 0.000 1.029 133 A HN 0.241 nan 8.150 nan 0.000 0.495 134 P HA -0.030 nan 4.420 nan 0.000 0.245 134 P C 1.102 178.427 177.300 0.041 0.000 1.203 134 P CA 0.708 63.826 63.100 0.029 0.000 0.792 134 P CB -0.070 31.644 31.700 0.023 0.000 0.997 135 H N 0.717 119.790 119.070 0.005 0.000 2.289 135 H HA -0.081 4.475 4.556 -0.000 0.000 0.296 135 H C 0.068 175.394 175.328 -0.002 0.000 1.091 135 H CA 1.454 57.505 56.048 0.007 0.000 1.274 135 H CB -0.002 29.768 29.762 0.014 0.000 1.364 135 H HN 0.017 nan 8.280 nan 0.000 0.490 136 V N 0.816 120.677 119.914 -0.088 0.000 2.656 136 V HA 0.447 4.567 4.120 -0.000 0.000 0.307 136 V C -0.658 175.365 176.094 -0.119 0.000 1.051 136 V CA -0.853 61.347 62.300 -0.167 0.000 0.893 136 V CB 2.113 33.854 31.823 -0.137 0.000 0.999 136 V HN 0.332 nan 8.190 nan 0.000 0.426 137 R N 4.164 124.565 120.500 -0.165 0.000 2.514 137 R HA 0.790 5.129 4.340 -0.000 0.000 0.301 137 R C -1.593 174.513 176.300 -0.323 0.000 0.962 137 R CA -0.412 55.551 56.100 -0.228 0.000 0.882 137 R CB 1.969 32.142 30.300 -0.212 0.000 1.143 137 R HN 0.779 nan 8.270 nan 0.000 0.452 138 V N 4.999 124.665 119.914 -0.412 0.000 2.531 138 V HA 0.517 4.637 4.120 -0.000 0.000 0.301 138 V C -1.688 174.141 176.094 -0.441 0.000 1.034 138 V CA -0.470 61.615 62.300 -0.357 0.000 0.865 138 V CB 1.265 32.966 31.823 -0.203 0.000 0.995 138 V HN 0.769 nan 8.190 nan 0.000 0.424 139 Y N 3.543 123.702 120.300 -0.236 0.000 2.568 139 Y HA 0.776 5.326 4.550 -0.000 0.000 0.327 139 Y C 0.675 176.626 175.900 0.085 0.000 1.163 139 Y CA -0.274 57.792 58.100 -0.056 0.000 1.219 139 Y CB 2.140 40.587 38.460 -0.022 0.000 1.308 139 Y HN 0.772 nan 8.280 nan 0.000 0.503 140 S N 1.562 117.470 115.700 0.348 0.000 2.557 140 S HA 0.699 5.169 4.470 -0.000 0.000 0.291 140 S C -1.658 173.165 174.600 0.370 0.000 1.116 140 S CA -0.463 57.898 58.200 0.268 0.000 0.992 140 S CB 0.360 63.651 63.200 0.151 0.000 1.028 140 S HN 0.621 nan 8.310 nan 0.000 0.484 141 Y N 0.265 120.692 120.300 0.211 0.000 2.625 141 Y HA 0.742 5.292 4.550 -0.000 0.000 0.338 141 Y C -0.465 175.505 175.900 0.116 0.000 1.123 141 Y CA -0.997 57.194 58.100 0.152 0.000 1.046 141 Y CB 1.063 39.610 38.460 0.145 0.000 1.299 141 Y HN 0.510 nan 8.280 nan 0.000 0.464 142 T N 0.453 115.150 114.554 0.239 0.000 2.882 142 T HA 0.561 4.911 4.350 -0.000 0.000 0.287 142 T C 0.491 175.287 174.700 0.161 0.000 0.992 142 T CA 0.137 62.303 62.100 0.111 0.000 1.076 142 T CB 0.491 69.424 68.868 0.107 0.000 0.961 142 T HN 1.174 nan 8.240 nan 0.000 0.490 143 G N 2.341 111.170 108.800 0.048 0.000 3.979 143 G HA2 0.278 4.238 3.960 -0.000 0.000 0.287 143 G HA3 0.278 4.238 3.960 -0.000 0.000 0.287 143 G C 0.261 175.194 174.900 0.055 0.000 1.011 143 G CA -0.173 44.975 45.100 0.079 0.000 0.818 143 G HN 0.880 nan 8.290 nan 0.000 0.470 144 S N -0.462 115.268 115.700 0.050 0.000 2.585 144 S HA 0.451 4.921 4.470 -0.000 0.000 0.273 144 S C 1.780 176.414 174.600 0.058 0.000 1.339 144 S CA 0.254 58.481 58.200 0.045 0.000 1.028 144 S CB 1.679 64.903 63.200 0.039 0.000 0.906 144 S HN 0.338 nan 8.310 nan 0.000 0.528 145 G N 0.892 109.726 108.800 0.057 0.000 2.469 145 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.219 145 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.219 145 G C 1.193 176.125 174.900 0.054 0.000 1.150 145 G CA 0.987 46.124 45.100 0.061 0.000 0.763 145 G HN 0.676 nan 8.290 nan 0.000 0.561 146 L N 0.895 122.146 121.223 0.046 0.000 1.990 146 L HA -0.093 4.247 4.340 -0.000 0.000 0.213 146 L C 1.780 178.676 176.870 0.045 0.000 1.072 146 L CA 1.989 56.855 54.840 0.042 0.000 0.755 146 L CB -0.505 41.577 42.059 0.038 0.000 0.889 146 L HN 0.437 nan 8.230 nan 0.000 0.432 147 D N -3.258 117.170 120.400 0.046 0.000 2.593 147 D HA 0.147 4.787 4.640 -0.000 0.000 0.241 147 D C 0.111 176.434 176.300 0.038 0.000 1.257 147 D CA -0.109 53.916 54.000 0.041 0.000 0.828 147 D CB 0.786 41.608 40.800 0.038 0.000 1.049 147 D HN -0.086 nan 8.370 nan 0.000 0.490 148 T N -0.667 113.917 114.554 0.049 0.000 3.225 148 T HA 0.363 4.713 4.350 -0.000 0.000 0.356 148 T C -1.573 173.175 174.700 0.079 0.000 1.460 148 T CA -0.484 61.647 62.100 0.051 0.000 1.126 148 T CB 1.765 70.669 68.868 0.061 0.000 1.321 148 T HN -0.103 nan 8.240 nan 0.000 0.478 149 T N 4.666 119.270 114.554 0.084 0.000 2.815 149 T HA 0.526 4.876 4.350 -0.000 0.000 0.289 149 T C 0.269 175.084 174.700 0.192 0.000 1.000 149 T CA -0.299 61.888 62.100 0.145 0.000 0.958 149 T CB 0.730 69.685 68.868 0.146 0.000 0.944 149 T HN 0.627 nan 8.240 nan 0.000 0.442 150 F N 3.169 123.148 119.950 0.048 0.000 2.625 150 F HA -0.419 4.107 4.527 -0.000 0.000 0.222 150 F C 2.363 178.074 175.800 -0.148 0.000 1.455 150 F CA 2.958 60.962 58.000 0.006 0.000 1.954 150 F CB -1.716 37.320 39.000 0.060 0.000 0.472 150 F HN 0.616 nan 8.300 nan 0.000 0.266 151 T N -0.543 113.625 114.554 -0.644 0.000 3.007 151 T HA -0.115 4.235 4.350 -0.000 0.000 0.270 151 T C 1.628 175.917 174.700 -0.685 0.000 1.107 151 T CA 1.528 62.964 62.100 -1.106 0.000 1.118 151 T CB -0.474 67.185 68.868 -2.015 0.000 0.889 151 T HN 0.692 nan 8.240 nan 0.000 0.506 152 Q N 0.650 120.272 119.800 -0.296 0.000 2.297 152 Q HA -0.032 4.308 4.340 -0.000 0.000 0.208 152 Q C 2.519 178.459 176.000 -0.099 0.000 0.981 152 Q CA 1.212 56.943 55.803 -0.120 0.000 0.876 152 Q CB -0.544 28.166 28.738 -0.047 0.000 0.921 152 Q HN 0.786 nan 8.270 nan 0.000 0.446 153 G N 0.764 109.494 108.800 -0.116 0.000 2.422 153 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 153 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 153 G C 1.144 175.936 174.900 -0.179 0.000 1.140 153 G CA 0.661 45.730 45.100 -0.052 0.000 0.775 153 G HN 0.394 nan 8.290 nan 0.000 0.545 154 E N 0.424 120.488 120.200 -0.228 0.000 2.031 154 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 154 E C 2.028 178.532 176.600 -0.162 0.000 0.994 154 E CA 1.332 57.615 56.400 -0.195 0.000 0.800 154 E CB -0.180 29.478 29.700 -0.070 0.000 0.752 154 E HN 0.300 nan 8.360 nan 0.000 0.447 155 D N -0.359 120.013 120.400 -0.046 0.000 2.103 155 D HA -0.202 4.438 4.640 -0.000 0.000 0.190 155 D C 2.077 178.304 176.300 -0.121 0.000 0.997 155 D CA 2.761 56.745 54.000 -0.026 0.000 0.833 155 D CB -0.473 40.352 40.800 0.042 0.000 0.961 155 D HN 0.377 nan 8.370 nan 0.000 0.447 156 T N -1.977 112.491 114.554 -0.143 0.000 2.881 156 T HA -0.199 4.151 4.350 -0.000 0.000 0.270 156 T C 2.480 176.964 174.700 -0.359 0.000 1.068 156 T CA 1.351 63.377 62.100 -0.123 0.000 1.131 156 T CB -1.207 67.689 68.868 0.046 0.000 0.871 156 T HN 0.365 nan 8.240 nan 0.000 0.479 157 C N 1.253 120.057 119.300 -0.827 0.000 2.473 157 C HA 0.136 4.596 4.460 -0.000 0.000 0.279 157 C C 2.684 177.389 174.990 -0.474 0.000 1.250 157 C CA 0.535 58.837 59.018 -1.193 0.000 1.713 157 C CB -1.552 25.452 27.740 -1.226 0.000 2.066 157 C HN 0.664 nan 8.230 nan 0.000 0.474 158 L N 1.490 122.525 121.223 -0.313 0.000 2.141 158 L HA -0.027 4.313 4.340 -0.000 0.000 0.209 158 L C 3.022 179.824 176.870 -0.112 0.000 1.094 158 L CA 1.515 56.251 54.840 -0.173 0.000 0.763 158 L CB -0.935 41.050 42.059 -0.125 0.000 0.908 158 L HN 0.467 nan 8.230 nan 0.000 0.437 159 A N 0.412 123.172 122.820 -0.100 0.000 1.933 159 A HA -0.101 4.218 4.320 -0.000 0.000 0.218 159 A C 2.558 180.149 177.584 0.010 0.000 1.175 159 A CA 1.595 53.606 52.037 -0.043 0.000 0.628 159 A CB -0.555 18.429 19.000 -0.026 0.000 0.814 159 A HN 0.386 nan 8.150 nan 0.000 0.444 160 A N -0.681 122.161 122.820 0.036 0.000 1.969 160 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 160 A C 2.193 179.891 177.584 0.191 0.000 1.169 160 A CA 1.586 53.719 52.037 0.160 0.000 0.635 160 A CB -0.480 18.690 19.000 0.282 0.000 0.810 160 A HN 0.533 nan 8.150 nan 0.000 0.445 161 M N -0.973 118.657 119.600 0.049 0.000 2.254 161 M HA -0.082 4.398 4.480 -0.000 0.000 0.265 161 M C 2.061 178.403 176.300 0.070 0.000 1.066 161 M CA 0.931 56.240 55.300 0.016 0.000 1.123 161 M CB -0.362 32.169 32.600 -0.116 0.000 1.388 161 M HN 0.244 nan 8.290 nan 0.000 0.425 162 V N 1.114 121.040 119.914 0.021 0.000 2.287 162 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 162 V C -0.608 175.502 176.094 0.026 0.000 1.053 162 V CA 2.089 64.386 62.300 -0.004 0.000 1.027 162 V CB -1.926 29.865 31.823 -0.053 0.000 0.646 162 V HN 0.276 nan 8.190 nan 0.000 0.447 163 P HA -0.143 nan 4.420 nan 0.000 0.218 163 P C 1.607 178.942 177.300 0.058 0.000 1.146 163 P CA 2.106 65.237 63.100 0.051 0.000 0.813 163 P CB -0.167 31.572 31.700 0.065 0.000 0.778 164 T N -4.972 109.638 114.554 0.093 0.000 3.069 164 T HA 0.143 4.493 4.350 -0.000 0.000 0.252 164 T C 0.594 175.341 174.700 0.078 0.000 1.053 164 T CA -0.203 61.951 62.100 0.090 0.000 0.964 164 T CB -0.524 68.422 68.868 0.131 0.000 1.005 164 T HN -0.263 nan 8.240 nan 0.000 0.532 165 L N 3.151 124.413 121.223 0.064 0.000 2.483 165 L HA 0.301 4.641 4.340 -0.000 0.000 0.276 165 L C 0.477 177.365 176.870 0.030 0.000 1.213 165 L CA 0.040 54.905 54.840 0.043 0.000 0.843 165 L CB 0.032 42.104 42.059 0.021 0.000 1.107 165 L HN 0.294 nan 8.230 nan 0.000 0.487 166 D N 0.967 121.383 120.400 0.026 0.000 2.419 166 D HA 0.018 4.658 4.640 -0.000 0.000 0.236 166 D C 0.144 176.455 176.300 0.017 0.000 1.165 166 D CA 0.274 54.286 54.000 0.020 0.000 0.882 166 D CB 0.470 41.282 40.800 0.019 0.000 1.201 166 D HN 0.481 nan 8.370 nan 0.000 0.443 167 T N 0.641 115.204 114.554 0.015 0.000 2.904 167 T HA 0.436 4.786 4.350 -0.000 0.000 0.290 167 T C 0.271 174.981 174.700 0.015 0.000 1.018 167 T CA 0.005 62.113 62.100 0.015 0.000 1.075 167 T CB 0.997 69.872 68.868 0.013 0.000 0.986 167 T HN 0.342 nan 8.240 nan 0.000 0.523 168 T N 0.546 115.110 114.554 0.017 0.000 2.957 168 T HA 0.299 4.649 4.350 -0.000 0.000 0.336 168 T C -0.012 174.699 174.700 0.018 0.000 1.462 168 T CA -0.668 61.442 62.100 0.018 0.000 1.073 168 T CB 1.516 70.397 68.868 0.021 0.000 1.319 168 T HN 0.748 nan 8.240 nan 0.000 0.485 169 E N 2.381 122.591 120.200 0.016 0.000 2.476 169 E HA 0.546 4.895 4.350 -0.000 0.000 0.196 169 E C 0.600 177.210 176.600 0.016 0.000 1.029 169 E CA -0.406 56.003 56.400 0.015 0.000 0.896 169 E CB 0.312 30.018 29.700 0.010 0.000 1.012 169 E HN 0.656 nan 8.360 nan 0.000 0.475 170 A N 1.220 124.053 122.820 0.021 0.000 2.477 170 A HA 0.475 4.795 4.320 -0.000 0.000 0.246 170 A C 0.518 178.121 177.584 0.032 0.000 1.078 170 A CA 0.203 52.256 52.037 0.026 0.000 0.770 170 A CB 0.298 19.316 19.000 0.030 0.000 1.011 170 A HN 0.435 nan 8.150 nan 0.000 0.494 171 A N 3.473 126.311 122.820 0.031 0.000 2.671 171 A HA 0.482 4.802 4.320 -0.000 0.000 0.306 171 A C 0.234 177.870 177.584 0.086 0.000 1.473 171 A CA -0.136 51.922 52.037 0.035 0.000 1.155 171 A CB -0.425 18.573 19.000 -0.002 0.000 1.123 171 A HN 0.838 nan 8.150 nan 0.000 0.545 172 E N 1.028 121.288 120.200 0.099 0.000 2.336 172 E HA 0.481 4.831 4.350 -0.000 0.000 0.267 172 E C -1.137 175.558 176.600 0.157 0.000 0.906 172 E CA -0.866 55.610 56.400 0.127 0.000 0.781 172 E CB 2.205 31.954 29.700 0.082 0.000 1.261 172 E HN 0.538 nan 8.360 nan 0.000 0.436 173 L N 2.995 124.306 121.223 0.146 0.000 2.289 173 L HA 0.500 4.840 4.340 -0.000 0.000 0.285 173 L C -1.043 175.886 176.870 0.097 0.000 1.049 173 L CA -0.508 54.407 54.840 0.125 0.000 0.804 173 L CB 0.653 42.730 42.059 0.030 0.000 1.195 173 L HN 0.513 nan 8.230 nan 0.000 0.428 174 I N 5.009 125.659 120.570 0.133 0.000 2.362 174 I HA 0.264 4.434 4.170 -0.000 0.000 0.289 174 I C -0.275 175.937 176.117 0.158 0.000 0.994 174 I CA -0.726 60.649 61.300 0.125 0.000 1.158 174 I CB 1.986 40.055 38.000 0.115 0.000 1.315 174 I HN 0.210 nan 8.210 nan 0.000 0.451 175 V N 7.453 127.449 119.914 0.138 0.000 2.461 175 V HA 0.269 4.389 4.120 -0.000 0.000 0.275 175 V C 0.165 176.342 176.094 0.137 0.000 1.047 175 V CA -0.450 61.966 62.300 0.193 0.000 0.955 175 V CB 1.538 33.496 31.823 0.224 0.000 0.988 175 V HN 0.394 nan 8.190 nan 0.000 0.471 176 V N 3.707 123.717 119.914 0.159 0.000 2.513 176 V HA 0.975 5.095 4.120 -0.000 0.000 0.299 176 V C 0.424 176.538 176.094 0.034 0.000 1.035 176 V CA 0.072 62.422 62.300 0.084 0.000 0.889 176 V CB 1.205 33.087 31.823 0.099 0.000 0.988 176 V HN 1.248 nan 8.190 nan 0.000 0.440 177 G N 3.262 112.050 108.800 -0.021 0.000 3.187 177 G HA2 0.367 4.327 3.960 -0.000 0.000 0.682 177 G HA3 0.367 4.327 3.960 -0.000 0.000 0.682 177 G C -0.285 174.578 174.900 -0.061 0.000 1.266 177 G CA -0.455 44.601 45.100 -0.073 0.000 0.902 177 G HN 1.506 nan 8.290 nan 0.000 0.589 178 A N 3.170 125.977 122.820 -0.021 0.000 2.898 178 A HA 0.512 4.832 4.320 -0.000 0.000 0.288 178 A C 1.034 178.591 177.584 -0.044 0.000 1.771 178 A CA 0.274 52.299 52.037 -0.019 0.000 1.383 178 A CB -0.405 18.599 19.000 0.007 0.000 1.028 178 A HN 0.984 nan 8.150 nan 0.000 0.595 179 L N 3.726 124.892 121.223 -0.094 0.000 2.380 179 L HA 0.256 4.596 4.340 -0.000 0.000 0.273 179 L C -1.783 175.046 176.870 -0.068 0.000 1.138 179 L CA -1.958 52.803 54.840 -0.132 0.000 0.832 179 L CB 0.901 42.831 42.059 -0.214 0.000 1.124 179 L HN 0.378 nan 8.230 nan 0.000 0.454 180 P HA -0.045 nan 4.420 nan 0.000 0.261 180 P C -0.045 177.235 177.300 -0.032 0.000 1.173 180 P CA 0.136 63.235 63.100 -0.003 0.000 0.760 180 P CB 0.540 32.258 31.700 0.030 0.000 0.783 181 D N 2.051 122.439 120.400 -0.021 0.000 2.339 181 D HA -0.240 4.400 4.640 -0.000 0.000 0.189 181 D C 1.715 177.986 176.300 -0.048 0.000 1.022 181 D CA 2.349 56.330 54.000 -0.030 0.000 0.884 181 D CB -0.412 40.382 40.800 -0.011 0.000 0.916 181 D HN 0.310 nan 8.370 nan 0.000 0.453 182 V N -1.916 117.976 119.914 -0.036 0.000 2.358 182 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 182 V C 2.312 178.349 176.094 -0.095 0.000 1.047 182 V CA 1.239 63.510 62.300 -0.048 0.000 1.035 182 V CB -0.985 30.826 31.823 -0.021 0.000 0.658 182 V HN 0.099 nan 8.190 nan 0.000 0.452 183 V N 0.795 120.647 119.914 -0.104 0.000 2.295 183 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 183 V C 2.765 178.653 176.094 -0.343 0.000 1.049 183 V CA 2.528 64.714 62.300 -0.190 0.000 1.024 183 V CB -0.756 31.001 31.823 -0.109 0.000 0.648 183 V HN 0.736 nan 8.190 nan 0.000 0.447 184 E N 0.024 120.077 120.200 -0.246 0.000 2.085 184 E HA -0.293 4.057 4.350 -0.000 0.000 0.194 184 E C 1.863 178.327 176.600 -0.227 0.000 0.994 184 E CA 1.722 57.976 56.400 -0.244 0.000 0.801 184 E CB -0.107 29.507 29.700 -0.142 0.000 0.743 184 E HN 0.607 nan 8.360 nan 0.000 0.453 185 D N 0.469 120.769 120.400 -0.168 0.000 2.104 185 D HA -0.188 4.452 4.640 -0.000 0.000 0.194 185 D C 2.092 178.293 176.300 -0.165 0.000 0.994 185 D CA 1.239 55.160 54.000 -0.131 0.000 0.830 185 D CB -0.344 40.404 40.800 -0.087 0.000 0.959 185 D HN 0.350 nan 8.370 nan 0.000 0.452 186 Q N -0.174 119.497 119.800 -0.214 0.000 2.124 186 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 186 Q C 2.441 178.249 176.000 -0.320 0.000 0.977 186 Q CA 1.056 56.727 55.803 -0.220 0.000 0.850 186 Q CB -0.322 28.284 28.738 -0.219 0.000 0.901 186 Q HN 0.322 nan 8.270 nan 0.000 0.429 187 C N 0.414 119.376 119.300 -0.563 0.000 2.413 187 C HA -0.145 4.315 4.460 -0.000 0.000 0.277 187 C C 2.406 177.267 174.990 -0.216 0.000 1.228 187 C CA 0.559 59.215 59.018 -0.603 0.000 1.731 187 C CB -0.973 26.282 27.740 -0.807 0.000 2.042 187 C HN 0.461 nan 8.230 nan 0.000 0.468 188 L N 0.901 122.023 121.223 -0.168 0.000 2.012 188 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 188 L C 2.882 179.715 176.870 -0.062 0.000 1.073 188 L CA 2.304 57.093 54.840 -0.084 0.000 0.748 188 L CB -1.890 40.125 42.059 -0.074 0.000 0.891 188 L HN 0.501 nan 8.230 nan 0.000 0.431 189 S N -0.529 115.128 115.700 -0.073 0.000 2.359 189 S HA -0.207 4.263 4.470 -0.000 0.000 0.222 189 S C 2.131 176.716 174.600 -0.026 0.000 1.038 189 S CA 1.571 59.743 58.200 -0.046 0.000 1.051 189 S CB -0.214 62.957 63.200 -0.048 0.000 0.944 189 S HN 0.352 nan 8.310 nan 0.000 0.433 190 L N 0.790 122.001 121.223 -0.020 0.000 2.042 190 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 190 L C 2.381 179.270 176.870 0.032 0.000 1.076 190 L CA 1.219 56.075 54.840 0.026 0.000 0.749 190 L CB -0.460 41.649 42.059 0.084 0.000 0.893 190 L HN 0.343 nan 8.230 nan 0.000 0.432 191 L N -1.434 119.806 121.223 0.028 0.000 2.217 191 L HA -0.128 4.212 4.340 -0.000 0.000 0.211 191 L C 2.529 179.383 176.870 -0.027 0.000 1.107 191 L CA 0.858 55.705 54.840 0.012 0.000 0.783 191 L CB -0.672 41.395 42.059 0.013 0.000 0.919 191 L HN 0.216 nan 8.230 nan 0.000 0.442 192 T N -0.736 113.804 114.554 -0.023 0.000 2.708 192 T HA -0.223 4.127 4.350 -0.000 0.000 0.266 192 T C 1.879 176.571 174.700 -0.013 0.000 1.037 192 T CA 1.325 63.412 62.100 -0.023 0.000 1.146 192 T CB -0.110 68.746 68.868 -0.020 0.000 0.865 192 T HN 0.372 nan 8.240 nan 0.000 0.435 193 Q N 0.152 119.947 119.800 -0.008 0.000 2.291 193 Q HA 0.063 4.402 4.340 -0.000 0.000 0.206 193 Q C 2.116 178.116 176.000 0.001 0.000 0.976 193 Q CA 0.839 56.638 55.803 -0.006 0.000 0.875 193 Q CB -0.229 28.502 28.738 -0.011 0.000 0.927 193 Q HN 0.478 nan 8.270 nan 0.000 0.450 194 L N -1.360 119.868 121.223 0.009 0.000 2.418 194 L HA 0.084 4.424 4.340 -0.000 0.000 0.218 194 L C 1.197 178.083 176.870 0.028 0.000 1.125 194 L CA 0.576 55.436 54.840 0.033 0.000 0.835 194 L CB 0.119 42.217 42.059 0.065 0.000 0.953 194 L HN 0.391 nan 8.230 nan 0.000 0.454 195 G N -0.029 108.773 108.800 0.004 0.000 2.131 195 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.201 195 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.201 195 G C 0.084 174.971 174.900 -0.021 0.000 1.000 195 G CA -0.178 44.926 45.100 0.006 0.000 0.680 195 G HN 0.046 nan 8.290 nan 0.000 0.514 196 V N 1.649 121.503 119.914 -0.099 0.000 2.397 196 V HA 0.537 4.657 4.120 -0.000 0.000 0.262 196 V C 1.498 177.503 176.094 -0.148 0.000 1.047 196 V CA 0.246 62.388 62.300 -0.264 0.000 1.003 196 V CB 0.666 32.194 31.823 -0.493 0.000 1.037 196 V HN 0.715 nan 8.190 nan 0.000 0.480 197 G N 6.439 115.215 108.800 -0.039 0.000 2.483 197 G HA2 0.401 4.361 3.960 -0.000 0.000 0.248 197 G HA3 0.401 4.361 3.960 -0.000 0.000 0.248 197 G C -2.310 172.609 174.900 0.032 0.000 1.248 197 G CA -1.056 44.062 45.100 0.030 0.000 0.838 197 G HN 0.626 nan 8.290 nan 0.000 0.566 198 P HA -0.108 nan 4.420 nan 0.000 0.262 198 P C -0.154 177.154 177.300 0.014 0.000 1.110 198 P CA 0.413 63.525 63.100 0.020 0.000 0.752 198 P CB 0.182 31.902 31.700 0.033 0.000 0.695 199 V N 4.870 124.784 119.914 0.000 0.000 2.604 199 V HA 0.707 4.827 4.120 -0.000 0.000 0.305 199 V C -0.663 175.440 176.094 0.014 0.000 1.043 199 V CA -0.725 61.578 62.300 0.005 0.000 0.888 199 V CB 2.136 33.948 31.823 -0.018 0.000 0.995 199 V HN 0.383 nan 8.190 nan 0.000 0.429 200 R N 6.424 126.941 120.500 0.028 0.000 2.686 200 R HA 0.597 4.937 4.340 -0.000 0.000 0.283 200 R C -1.041 175.277 176.300 0.030 0.000 0.978 200 R CA -0.939 55.175 56.100 0.024 0.000 0.897 200 R CB 2.023 32.339 30.300 0.027 0.000 1.192 200 R HN 0.655 nan 8.270 nan 0.000 0.457 201 M N 2.137 121.748 119.600 0.018 0.000 2.288 201 M HA 0.405 4.885 4.480 -0.000 0.000 0.334 201 M C -0.222 176.086 176.300 0.013 0.000 1.150 201 M CA -0.953 54.356 55.300 0.016 0.000 1.118 201 M CB 0.459 33.058 32.600 -0.003 0.000 1.501 201 M HN 0.443 nan 8.290 nan 0.000 0.462 202 L N 5.037 126.266 121.223 0.010 0.000 2.446 202 L HA 0.606 4.946 4.340 -0.000 0.000 0.268 202 L C -2.585 174.277 176.870 -0.013 0.000 0.975 202 L CA -1.211 53.625 54.840 -0.006 0.000 0.848 202 L CB 2.031 44.077 42.059 -0.021 0.000 1.225 202 L HN 0.375 nan 8.230 nan 0.000 0.410 203 P HA 0.388 nan 4.420 nan 0.000 0.276 203 P C -0.952 176.353 177.300 0.009 0.000 1.244 203 P CA -0.425 62.675 63.100 -0.001 0.000 0.801 203 P CB 1.299 33.002 31.700 0.006 0.000 1.006 204 A N 2.499 125.330 122.820 0.018 0.000 2.271 204 A HA 0.296 4.616 4.320 -0.000 0.000 0.288 204 A C 1.499 179.100 177.584 0.029 0.000 1.094 204 A CA -0.543 51.505 52.037 0.020 0.000 0.828 204 A CB 0.200 19.213 19.000 0.022 0.000 1.091 204 A HN 0.484 nan 8.150 nan 0.000 0.493 205 R N -0.661 119.853 120.500 0.024 0.000 2.189 205 R HA -0.016 4.324 4.340 -0.000 0.000 0.223 205 R C 0.058 176.386 176.300 0.046 0.000 1.092 205 R CA 1.078 57.197 56.100 0.031 0.000 0.989 205 R CB -0.001 30.311 30.300 0.021 0.000 0.876 205 R HN 0.632 nan 8.270 nan 0.000 0.457 206 R N -1.596 118.930 120.500 0.043 0.000 2.698 206 R HA 0.082 4.422 4.340 -0.000 0.000 0.275 206 R C 0.880 177.206 176.300 0.043 0.000 1.001 206 R CA -0.094 56.034 56.100 0.046 0.000 0.896 206 R CB 1.693 32.015 30.300 0.037 0.000 1.218 206 R HN -0.018 nan 8.270 nan 0.000 0.462 207 S N 0.477 116.203 115.700 0.044 0.000 2.387 207 S HA -0.216 4.254 4.470 -0.000 0.000 0.230 207 S C 1.187 175.805 174.600 0.031 0.000 1.035 207 S CA 2.038 60.262 58.200 0.040 0.000 1.014 207 S CB -0.212 63.003 63.200 0.026 0.000 0.836 207 S HN 0.794 nan 8.310 nan 0.000 0.466 208 D N 1.798 122.212 120.400 0.023 0.000 2.340 208 D HA 0.017 4.657 4.640 -0.000 0.000 0.220 208 D C 1.193 177.506 176.300 0.021 0.000 1.039 208 D CA 0.225 54.237 54.000 0.019 0.000 0.866 208 D CB -0.598 40.210 40.800 0.014 0.000 0.913 208 D HN 0.796 nan 8.370 nan 0.000 0.523 209 I N -2.651 117.933 120.570 0.023 0.000 3.707 209 I HA 0.301 4.471 4.170 -0.000 0.000 0.330 209 I C -0.251 175.879 176.117 0.022 0.000 1.572 209 I CA -0.827 60.486 61.300 0.021 0.000 1.104 209 I CB 0.092 38.103 38.000 0.019 0.000 1.240 209 I HN -0.363 nan 8.210 nan 0.000 0.475 210 E N 3.101 123.316 120.200 0.025 0.000 2.436 210 E HA 0.171 4.521 4.350 -0.000 0.000 0.262 210 E C -2.034 174.578 176.600 0.020 0.000 1.063 210 E CA -1.268 55.146 56.400 0.023 0.000 0.944 210 E CB -0.143 29.574 29.700 0.029 0.000 0.950 210 E HN 0.171 nan 8.360 nan 0.000 0.444 211 P HA 0.084 nan 4.420 nan 0.000 0.269 211 P C -0.853 176.456 177.300 0.016 0.000 1.215 211 P CA 0.032 63.143 63.100 0.017 0.000 0.780 211 P CB 0.601 32.309 31.700 0.014 0.000 0.898 212 A N 1.596 124.428 122.820 0.020 0.000 2.264 212 A HA 0.659 4.979 4.320 -0.000 0.000 0.304 212 A C -0.247 177.347 177.584 0.016 0.000 1.100 212 A CA -0.402 51.646 52.037 0.018 0.000 0.839 212 A CB 0.542 19.554 19.000 0.021 0.000 1.121 212 A HN 0.411 nan 8.150 nan 0.000 0.496 213 V N -1.792 118.129 119.914 0.011 0.000 3.001 213 V HA 1.030 5.150 4.120 -0.000 0.000 0.314 213 V C 0.173 176.278 176.094 0.017 0.000 1.099 213 V CA 0.016 62.322 62.300 0.010 0.000 0.989 213 V CB 1.185 32.999 31.823 -0.015 0.000 1.040 213 V HN 1.949 nan 8.190 nan 0.000 0.434 214 G N 0.923 109.739 108.800 0.026 0.000 2.441 214 G HA2 0.576 4.536 3.960 -0.000 0.000 0.294 214 G HA3 0.576 4.536 3.960 -0.000 0.000 0.294 214 G C -2.820 172.100 174.900 0.034 0.000 1.393 214 G CA -0.061 45.055 45.100 0.026 0.000 0.796 214 G HN 0.492 nan 8.290 nan 0.000 0.494 215 P HA -0.062 nan 4.420 nan 0.000 0.222 215 P C 0.693 178.008 177.300 0.025 0.000 1.147 215 P CA 1.074 64.190 63.100 0.026 0.000 0.790 215 P CB 0.046 31.756 31.700 0.017 0.000 0.780 216 N N -1.561 117.153 118.700 0.023 0.000 2.230 216 N HA 0.056 4.796 4.740 -0.000 0.000 0.202 216 N C -0.192 175.337 175.510 0.031 0.000 1.119 216 N CA -0.047 53.011 53.050 0.014 0.000 0.851 216 N CB 0.066 38.555 38.487 0.004 0.000 0.990 216 N HN -0.029 nan 8.380 nan 0.000 0.497 217 T N 1.523 116.114 114.554 0.061 0.000 2.869 217 T HA 0.240 4.590 4.350 -0.000 0.000 0.295 217 T C 0.311 175.092 174.700 0.134 0.000 0.987 217 T CA -0.207 61.952 62.100 0.098 0.000 1.109 217 T CB 0.961 69.891 68.868 0.105 0.000 0.932 217 T HN 0.006 nan 8.240 nan 0.000 0.518 218 R N 2.137 122.719 120.500 0.137 0.000 2.604 218 R HA 0.615 4.955 4.340 -0.000 0.000 0.287 218 R C -0.750 175.682 176.300 0.220 0.000 0.970 218 R CA -0.656 55.516 56.100 0.120 0.000 0.946 218 R CB 1.305 31.643 30.300 0.065 0.000 1.127 218 R HN 0.706 nan 8.270 nan 0.000 0.473 219 F N -0.288 119.658 119.950 -0.007 0.000 2.588 219 F HA 0.673 5.200 4.527 -0.000 0.000 0.310 219 F C -0.957 174.809 175.800 -0.058 0.000 1.082 219 F CA -1.374 56.617 58.000 -0.015 0.000 0.929 219 F CB 1.237 40.235 39.000 -0.003 0.000 1.254 219 F HN 0.407 nan 8.300 nan 0.000 0.455 220 I N 4.138 124.704 120.570 -0.007 0.000 2.509 220 I HA 0.515 4.685 4.170 -0.000 0.000 0.293 220 I C -1.368 174.823 176.117 0.124 0.000 1.020 220 I CA -1.080 60.127 61.300 -0.155 0.000 1.088 220 I CB 1.742 39.477 38.000 -0.440 0.000 1.267 220 I HN 0.723 nan 8.210 nan 0.000 0.430 221 L N 7.490 128.788 121.223 0.125 0.000 2.331 221 L HA 0.431 4.771 4.340 -0.000 0.000 0.278 221 L C 1.074 178.238 176.870 0.491 0.000 1.106 221 L CA -0.149 54.868 54.840 0.295 0.000 0.824 221 L CB 1.355 43.604 42.059 0.316 0.000 1.142 221 L HN 0.782 nan 8.230 nan 0.000 0.443 222 A N 2.649 125.671 122.820 0.337 0.000 2.169 222 A HA 0.166 4.486 4.320 -0.000 0.000 0.210 222 A C 0.675 178.268 177.584 0.014 0.000 1.168 222 A CA 0.390 52.506 52.037 0.133 0.000 0.813 222 A CB 0.281 19.234 19.000 -0.079 0.000 0.861 222 A HN 0.707 nan 8.150 nan 0.000 0.481 223 Q N -0.962 118.803 119.800 -0.059 0.000 2.372 223 Q HA 0.283 4.623 4.340 -0.000 0.000 0.273 223 Q C -2.372 173.135 176.000 -0.821 0.000 1.078 223 Q CA -1.883 53.578 55.803 -0.570 0.000 0.806 223 Q CB 2.534 30.687 28.738 -0.976 0.000 1.332 223 Q HN 0.087 nan 8.270 nan 0.000 0.435 224 P HA -0.057 nan 4.420 nan 0.000 0.225 224 P C 0.519 177.623 177.300 -0.327 0.000 1.156 224 P CA 0.945 63.462 63.100 -0.973 0.000 0.787 224 P CB -0.054 31.164 31.700 -0.804 0.000 0.802 225 F N -1.429 118.450 119.950 -0.117 0.000 2.949 225 F HA 0.421 4.948 4.527 -0.000 0.000 0.291 225 F C 0.542 176.324 175.800 -0.029 0.000 1.214 225 F CA -0.596 57.381 58.000 -0.039 0.000 1.381 225 F CB -0.938 38.020 39.000 -0.070 0.000 1.066 225 F HN -0.312 nan 8.300 nan 0.000 0.520 226 L N 1.043 122.268 121.223 0.004 0.000 3.096 226 L HA 0.414 4.753 4.340 -0.000 0.000 0.272 226 L C 1.815 178.691 176.870 0.010 0.000 1.311 226 L CA -0.389 54.462 54.840 0.018 0.000 0.943 226 L CB 0.473 42.512 42.059 -0.033 0.000 1.348 226 L HN 0.504 nan 8.230 nan 0.000 0.562 227 G N 0.081 108.890 108.800 0.015 0.000 2.480 227 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 227 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 227 G C 1.302 176.236 174.900 0.057 0.000 1.200 227 G CA 0.605 45.716 45.100 0.019 0.000 0.782 227 G HN 0.420 nan 8.290 nan 0.000 0.554 228 E N 0.208 120.428 120.200 0.033 0.000 2.110 228 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 228 E C 2.739 179.337 176.600 -0.002 0.000 0.988 228 E CA 1.494 57.906 56.400 0.020 0.000 0.804 228 E CB -0.627 29.072 29.700 -0.001 0.000 0.745 228 E HN 0.366 nan 8.360 nan 0.000 0.458 229 T N 1.132 115.672 114.554 -0.023 0.000 2.746 229 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 229 T C 2.030 176.663 174.700 -0.112 0.000 1.039 229 T CA 1.692 63.748 62.100 -0.074 0.000 1.142 229 T CB -0.370 68.450 68.868 -0.080 0.000 0.866 229 T HN 0.170 nan 8.240 nan 0.000 0.444 230 T N 1.218 115.759 114.554 -0.022 0.000 2.746 230 T HA -0.055 4.295 4.350 -0.000 0.000 0.267 230 T C 2.266 177.011 174.700 0.075 0.000 1.039 230 T CA 1.317 63.463 62.100 0.075 0.000 1.142 230 T CB -0.821 68.168 68.868 0.201 0.000 0.866 230 T HN 0.527 nan 8.240 nan 0.000 0.444 231 G N 1.060 109.900 108.800 0.066 0.000 2.421 231 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.216 231 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.216 231 G C 1.829 176.744 174.900 0.025 0.000 1.171 231 G CA 0.894 46.036 45.100 0.071 0.000 0.775 231 G HN 0.580 nan 8.290 nan 0.000 0.543 232 A N 0.469 123.278 122.820 -0.017 0.000 1.898 232 A HA 0.138 4.458 4.320 -0.000 0.000 0.216 232 A C 2.445 179.981 177.584 -0.081 0.000 1.181 232 A CA 1.215 53.231 52.037 -0.036 0.000 0.620 232 A CB -0.397 18.578 19.000 -0.041 0.000 0.819 232 A HN 0.346 nan 8.150 nan 0.000 0.442 233 L N -0.833 120.276 121.223 -0.190 0.000 2.046 233 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 233 L C 2.577 179.386 176.870 -0.100 0.000 1.077 233 L CA 1.609 56.265 54.840 -0.308 0.000 0.747 233 L CB -0.523 40.978 42.059 -0.930 0.000 0.896 233 L HN 0.456 nan 8.230 nan 0.000 0.432 234 E N -0.277 119.933 120.200 0.016 0.000 2.106 234 E HA -0.225 4.124 4.350 -0.000 0.000 0.192 234 E C 2.279 178.918 176.600 0.066 0.000 0.984 234 E CA 0.698 57.169 56.400 0.118 0.000 0.806 234 E CB -0.023 29.775 29.700 0.164 0.000 0.750 234 E HN 0.273 nan 8.360 nan 0.000 0.458 235 R N 0.640 121.163 120.500 0.038 0.000 2.127 235 R HA -0.084 4.256 4.340 -0.000 0.000 0.238 235 R C 1.546 177.860 176.300 0.023 0.000 1.134 235 R CA 1.057 57.175 56.100 0.030 0.000 0.975 235 R CB 0.173 30.487 30.300 0.023 0.000 0.865 235 R HN -0.021 nan 8.270 nan 0.000 0.447 236 R N -0.914 119.593 120.500 0.012 0.000 2.320 236 R HA 0.116 4.456 4.340 -0.000 0.000 0.211 236 R C 0.874 177.189 176.300 0.025 0.000 0.931 236 R CA 0.779 56.886 56.100 0.012 0.000 1.071 236 R CB 0.807 31.105 30.300 -0.005 0.000 1.025 236 R HN 0.500 nan 8.270 nan 0.000 0.495 237 G N 0.381 109.205 108.800 0.041 0.000 2.175 237 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.244 237 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.244 237 G C 0.298 175.246 174.900 0.080 0.000 0.982 237 G CA 0.097 45.228 45.100 0.052 0.000 0.641 237 G HN 0.556 nan 8.290 nan 0.000 0.527 238 A N -0.047 122.841 122.820 0.112 0.000 2.340 238 A HA 0.703 5.023 4.320 -0.000 0.000 0.268 238 A C 0.374 178.165 177.584 0.344 0.000 1.100 238 A CA 0.676 52.837 52.037 0.208 0.000 0.803 238 A CB 0.724 19.838 19.000 0.189 0.000 1.043 238 A HN 0.701 nan 8.150 nan 0.000 0.488 239 K N 1.811 122.368 120.400 0.261 0.000 2.345 239 K HA 0.395 4.715 4.320 -0.000 0.000 0.255 239 K C -0.233 176.165 176.600 -0.338 0.000 0.934 239 K CA -0.608 55.707 56.287 0.048 0.000 0.801 239 K CB 1.230 33.720 32.500 -0.017 0.000 1.137 239 K HN 0.810 nan 8.250 nan 0.000 0.424 240 R N 3.682 123.786 120.500 -0.660 0.000 2.641 240 R HA 0.268 4.608 4.340 -0.000 0.000 0.269 240 R C -0.445 175.511 176.300 -0.574 0.000 1.074 240 R CA -0.170 55.252 56.100 -1.131 0.000 1.133 240 R CB 0.506 30.292 30.300 -0.857 0.000 1.029 240 R HN 0.568 nan 8.270 nan 0.000 0.488 241 I N 3.146 123.393 120.570 -0.539 0.000 2.330 241 I HA 0.266 4.436 4.170 -0.000 0.000 0.289 241 I C 0.188 176.080 176.117 -0.376 0.000 1.001 241 I CA -0.641 60.434 61.300 -0.375 0.000 1.193 241 I CB 1.783 39.577 38.000 -0.343 0.000 1.345 241 I HN 0.633 nan 8.210 nan 0.000 0.461 242 A N 5.531 128.175 122.820 -0.293 0.000 2.440 242 A HA 0.766 5.086 4.320 -0.000 0.000 0.251 242 A C 0.082 177.478 177.584 -0.313 0.000 1.089 242 A CA -0.001 51.876 52.037 -0.266 0.000 0.779 242 A CB 0.290 19.183 19.000 -0.178 0.000 1.022 242 A HN 0.903 nan 8.150 nan 0.000 0.492 243 A N 3.700 126.299 122.820 -0.369 0.000 2.604 243 A HA 0.822 5.142 4.320 -0.000 0.000 0.295 243 A C -3.116 174.250 177.584 -0.362 0.000 1.067 243 A CA -1.328 50.490 52.037 -0.365 0.000 0.683 243 A CB 1.174 19.853 19.000 -0.535 0.000 1.281 243 A HN 0.635 nan 8.150 nan 0.000 0.407 244 P HA 0.440 nan 4.420 nan 0.000 0.274 244 P C -0.724 176.500 177.300 -0.127 0.000 1.237 244 P CA 0.004 63.028 63.100 -0.126 0.000 0.793 244 P CB 0.283 31.976 31.700 -0.010 0.000 0.977 245 F N 1.473 121.475 119.950 0.086 0.000 2.429 245 F HA 0.211 4.738 4.527 -0.000 0.000 0.348 245 F C -1.187 174.389 175.800 -0.374 0.000 1.109 245 F CA -1.847 56.120 58.000 -0.056 0.000 1.232 245 F CB 0.013 39.002 39.000 -0.018 0.000 1.157 245 F HN 0.199 nan 8.300 nan 0.000 0.564 246 P HA 0.091 nan 4.420 nan 0.000 0.237 246 P C -1.083 175.581 177.300 -1.059 0.000 1.788 246 P CA 0.360 62.842 63.100 -1.031 0.000 1.061 246 P CB -0.706 29.773 31.700 -2.036 0.000 1.967 247 F N 1.276 121.014 119.950 -0.353 0.000 2.458 247 F HA 0.634 5.161 4.527 -0.000 0.000 0.336 247 F C 1.431 176.997 175.800 -0.390 0.000 1.114 247 F CA -0.066 57.663 58.000 -0.452 0.000 0.987 247 F CB 1.815 40.562 39.000 -0.422 0.000 1.130 247 F HN 0.383 nan 8.300 nan 0.000 0.458 248 G N 2.303 110.878 108.800 -0.375 0.000 2.796 248 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.226 248 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.226 248 G C 0.623 175.587 174.900 0.107 0.000 1.381 248 G CA 0.077 45.133 45.100 -0.073 0.000 0.867 248 G HN 0.702 nan 8.290 nan 0.000 0.552 249 E N -0.215 120.149 120.200 0.273 0.000 2.047 249 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 249 E C 2.162 178.921 176.600 0.265 0.000 0.987 249 E CA 1.759 58.352 56.400 0.322 0.000 0.799 249 E CB -0.169 29.691 29.700 0.267 0.000 0.752 249 E HN 0.659 nan 8.360 nan 0.000 0.449 250 E N -0.459 119.856 120.200 0.191 0.000 2.031 250 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 250 E C 2.032 178.692 176.600 0.100 0.000 0.994 250 E CA 1.101 57.580 56.400 0.132 0.000 0.800 250 E CB -0.350 29.399 29.700 0.081 0.000 0.752 250 E HN 0.358 nan 8.360 nan 0.000 0.447 251 G N -0.031 108.817 108.800 0.080 0.000 2.476 251 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 251 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 251 G C 1.621 176.468 174.900 -0.090 0.000 1.164 251 G CA 1.529 46.636 45.100 0.012 0.000 0.768 251 G HN 0.276 nan 8.290 nan 0.000 0.560 252 T N 0.879 115.300 114.554 -0.223 0.000 2.746 252 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 252 T C 2.634 177.275 174.700 -0.098 0.000 1.039 252 T CA 1.815 63.641 62.100 -0.457 0.000 1.142 252 T CB -0.488 67.818 68.868 -0.937 0.000 0.866 252 T HN 0.326 nan 8.240 nan 0.000 0.444 253 T N 2.628 117.267 114.554 0.142 0.000 2.701 253 T HA 0.005 4.355 4.350 -0.000 0.000 0.263 253 T C 1.888 176.766 174.700 0.297 0.000 1.040 253 T CA 0.600 62.924 62.100 0.374 0.000 1.147 253 T CB -0.394 68.709 68.868 0.392 0.000 0.865 253 T HN 0.072 nan 8.240 nan 0.000 0.426 254 L N -0.293 121.020 121.223 0.151 0.000 2.081 254 L HA -0.080 4.260 4.340 -0.000 0.000 0.212 254 L C 2.001 178.900 176.870 0.048 0.000 1.080 254 L CA 1.434 56.309 54.840 0.058 0.000 0.754 254 L CB -1.391 40.678 42.059 0.018 0.000 0.893 254 L HN 0.459 nan 8.230 nan 0.000 0.433 255 W N -0.415 120.811 121.300 -0.123 0.000 2.413 255 W HA -0.191 4.469 4.660 -0.000 0.000 0.315 255 W C 2.350 178.828 176.519 -0.067 0.000 1.186 255 W CA 0.633 57.872 57.345 -0.176 0.000 1.326 255 W CB -0.092 29.178 29.460 -0.317 0.000 1.153 255 W HN -0.009 nan 8.180 nan 0.000 0.489 256 L N 1.364 122.835 121.223 0.413 0.000 2.079 256 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 256 L C 2.277 179.319 176.870 0.286 0.000 1.081 256 L CA 2.079 57.163 54.840 0.407 0.000 0.752 256 L CB -1.826 40.549 42.059 0.527 0.000 0.896 256 L HN 0.031 nan 8.230 nan 0.000 0.433 257 K N 0.077 120.559 120.400 0.137 0.000 2.057 257 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 257 K C 2.056 178.498 176.600 -0.264 0.000 1.050 257 K CA 1.478 57.548 56.287 -0.362 0.000 0.935 257 K CB -0.362 31.854 32.500 -0.473 0.000 0.715 257 K HN 0.178 nan 8.250 nan 0.000 0.439 258 A N 0.171 122.858 122.820 -0.222 0.000 1.978 258 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 258 A C 2.221 179.674 177.584 -0.219 0.000 1.170 258 A CA 1.883 53.773 52.037 -0.246 0.000 0.636 258 A CB -0.653 18.158 19.000 -0.314 0.000 0.810 258 A HN 0.150 nan 8.150 nan 0.000 0.448 259 V N -0.423 119.353 119.914 -0.229 0.000 2.346 259 V HA -0.134 3.986 4.120 -0.000 0.000 0.244 259 V C 3.015 179.107 176.094 -0.003 0.000 1.037 259 V CA 1.538 63.750 62.300 -0.148 0.000 1.029 259 V CB -1.467 30.204 31.823 -0.253 0.000 0.663 259 V HN 0.589 nan 8.190 nan 0.000 0.454 260 A N 0.659 123.481 122.820 0.003 0.000 1.896 260 A HA -0.355 3.965 4.320 -0.000 0.000 0.220 260 A C 1.942 179.541 177.584 0.024 0.000 1.206 260 A CA 2.621 54.689 52.037 0.053 0.000 0.647 260 A CB -0.942 18.092 19.000 0.056 0.000 0.828 260 A HN 0.548 nan 8.150 nan 0.000 0.455 261 D N -0.303 120.054 120.400 -0.072 0.000 2.144 261 D HA -0.025 4.615 4.640 -0.000 0.000 0.199 261 D C 2.137 178.413 176.300 -0.041 0.000 0.984 261 D CA 1.529 55.482 54.000 -0.079 0.000 0.834 261 D CB -0.448 40.271 40.800 -0.135 0.000 0.955 261 D HN 0.473 nan 8.370 nan 0.000 0.465 262 A N -0.698 122.118 122.820 -0.008 0.000 2.015 262 A HA -0.151 4.168 4.320 -0.000 0.000 0.219 262 A C 1.522 179.063 177.584 -0.072 0.000 1.163 262 A CA 0.989 53.011 52.037 -0.026 0.000 0.646 262 A CB -0.609 18.404 19.000 0.023 0.000 0.806 262 A HN 0.337 nan 8.150 nan 0.000 0.448 263 Y N -1.579 118.680 120.300 -0.068 0.000 2.444 263 Y HA 0.353 4.903 4.550 -0.000 0.000 0.249 263 Y C 1.682 177.564 175.900 -0.029 0.000 1.134 263 Y CA 0.316 58.392 58.100 -0.041 0.000 1.261 263 Y CB 0.582 39.026 38.460 -0.026 0.000 1.143 263 Y HN 0.421 nan 8.280 nan 0.000 0.523 264 G N 1.016 109.856 108.800 0.066 0.000 2.176 264 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.252 264 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.252 264 G C -0.161 174.773 174.900 0.055 0.000 1.024 264 G CA 0.145 45.263 45.100 0.030 0.000 0.755 264 G HN 0.092 nan 8.290 nan 0.000 0.507 265 V N 1.580 121.545 119.914 0.084 0.000 2.585 265 V HA 0.425 4.545 4.120 -0.000 0.000 0.296 265 V C 1.511 177.648 176.094 0.071 0.000 1.035 265 V CA 0.269 62.623 62.300 0.091 0.000 1.084 265 V CB 1.197 33.099 31.823 0.131 0.000 0.953 265 V HN 1.083 nan 8.190 nan 0.000 0.483 266 S N 4.489 120.231 115.700 0.071 0.000 2.573 266 S HA 0.291 4.761 4.470 -0.000 0.000 0.277 266 S C 1.291 175.947 174.600 0.093 0.000 1.346 266 S CA 0.012 58.248 58.200 0.060 0.000 1.034 266 S CB 1.225 64.456 63.200 0.052 0.000 0.879 266 S HN 1.059 nan 8.310 nan 0.000 0.528 267 A N 1.490 124.351 122.820 0.069 0.000 1.930 267 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 267 A C 2.212 179.873 177.584 0.127 0.000 1.175 267 A CA 1.141 53.237 52.037 0.099 0.000 0.627 267 A CB -0.878 18.149 19.000 0.046 0.000 0.815 267 A HN 0.920 nan 8.150 nan 0.000 0.443 268 E N -0.242 120.006 120.200 0.081 0.000 2.097 268 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 268 E C 2.017 178.660 176.600 0.072 0.000 1.000 268 E CA 1.839 58.277 56.400 0.064 0.000 0.804 268 E CB -0.123 29.602 29.700 0.043 0.000 0.740 268 E HN 0.725 nan 8.360 nan 0.000 0.454 269 K N -0.311 120.143 120.400 0.089 0.000 2.137 269 K HA -0.076 4.243 4.320 -0.000 0.000 0.202 269 K C 2.061 178.723 176.600 0.104 0.000 1.052 269 K CA 0.504 56.839 56.287 0.080 0.000 0.961 269 K CB -0.291 32.254 32.500 0.075 0.000 0.741 269 K HN -0.013 nan 8.250 nan 0.000 0.452 270 F N 2.230 122.192 119.950 0.021 0.000 2.069 270 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 270 F C 2.006 177.824 175.800 0.029 0.000 1.113 270 F CA 1.700 59.718 58.000 0.030 0.000 1.214 270 F CB 0.013 39.031 39.000 0.030 0.000 0.978 270 F HN 0.077 nan 8.300 nan 0.000 0.474 271 E N 0.685 120.982 120.200 0.161 0.000 2.118 271 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 271 E C 2.362 178.933 176.600 -0.048 0.000 0.992 271 E CA 1.110 57.541 56.400 0.051 0.000 0.804 271 E CB -0.873 28.889 29.700 0.104 0.000 0.741 271 E HN 0.537 nan 8.360 nan 0.000 0.458 272 A N 1.113 123.917 122.820 -0.027 0.000 1.845 272 A HA -0.146 4.173 4.320 -0.000 0.000 0.215 272 A C 2.616 180.149 177.584 -0.084 0.000 1.195 272 A CA 1.667 53.679 52.037 -0.041 0.000 0.616 272 A CB -0.815 18.177 19.000 -0.013 0.000 0.832 272 A HN 0.143 nan 8.150 nan 0.000 0.443 273 V N -0.812 119.036 119.914 -0.110 0.000 2.594 273 V HA -0.159 3.961 4.120 -0.000 0.000 0.253 273 V C 2.479 178.465 176.094 -0.180 0.000 1.069 273 V CA 2.335 64.559 62.300 -0.126 0.000 1.082 273 V CB -0.724 31.030 31.823 -0.116 0.000 0.680 273 V HN 0.640 nan 8.190 nan 0.000 0.469 274 T N -1.335 113.050 114.554 -0.281 0.000 3.022 274 T HA 0.290 4.640 4.350 -0.000 0.000 0.250 274 T C 1.799 176.324 174.700 -0.292 0.000 1.060 274 T CA 0.775 62.672 62.100 -0.338 0.000 1.013 274 T CB 0.116 68.610 68.868 -0.624 0.000 0.982 274 T HN 0.483 nan 8.240 nan 0.000 0.508 275 A N 1.506 124.207 122.820 -0.198 0.000 1.835 275 A HA 0.180 4.500 4.320 -0.000 0.000 0.215 275 A C 2.608 180.093 177.584 -0.164 0.000 1.199 275 A CA 1.958 53.906 52.037 -0.147 0.000 0.615 275 A CB -1.330 17.616 19.000 -0.089 0.000 0.838 275 A HN 0.542 nan 8.150 nan 0.000 0.444 276 A N -0.032 122.703 122.820 -0.142 0.000 1.877 276 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 276 A C 0.245 177.726 177.584 -0.171 0.000 1.186 276 A CA 1.871 53.834 52.037 -0.123 0.000 0.620 276 A CB -1.780 17.169 19.000 -0.085 0.000 0.822 276 A HN 0.452 nan 8.150 nan 0.000 0.443 277 P HA -0.122 nan 4.420 nan 0.000 0.219 277 P C 1.543 178.505 177.300 -0.562 0.000 1.146 277 P CA 1.001 63.904 63.100 -0.329 0.000 0.808 277 P CB -0.075 31.419 31.700 -0.344 0.000 0.779 278 R N -0.571 119.560 120.500 -0.616 0.000 2.062 278 R HA 0.043 4.383 4.340 -0.000 0.000 0.226 278 R C 2.263 178.455 176.300 -0.181 0.000 1.125 278 R CA 1.363 57.184 56.100 -0.466 0.000 0.966 278 R CB -1.083 29.016 30.300 -0.335 0.000 0.861 278 R HN 0.124 nan 8.270 nan 0.000 0.433 279 A N 1.628 124.366 122.820 -0.137 0.000 1.873 279 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 279 A C 2.169 179.726 177.584 -0.045 0.000 1.193 279 A CA 1.255 53.252 52.037 -0.067 0.000 0.629 279 A CB -0.533 18.431 19.000 -0.059 0.000 0.826 279 A HN 0.149 nan 8.150 nan 0.000 0.447 280 R N -0.637 119.828 120.500 -0.059 0.000 2.136 280 R HA -0.251 4.089 4.340 -0.000 0.000 0.242 280 R C 2.478 178.788 176.300 0.016 0.000 1.131 280 R CA 1.991 58.077 56.100 -0.022 0.000 0.937 280 R CB -1.022 29.260 30.300 -0.030 0.000 0.863 280 R HN 0.544 nan 8.270 nan 0.000 0.435 281 A N 0.802 123.635 122.820 0.022 0.000 1.877 281 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 281 A C 2.207 179.856 177.584 0.109 0.000 1.186 281 A CA 1.795 53.895 52.037 0.105 0.000 0.620 281 A CB -0.444 18.671 19.000 0.192 0.000 0.822 281 A HN 0.354 nan 8.150 nan 0.000 0.443 282 K N -0.172 120.271 120.400 0.071 0.000 2.057 282 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 282 K C 2.135 178.771 176.600 0.059 0.000 1.049 282 K CA 1.887 58.217 56.287 0.072 0.000 0.931 282 K CB -0.148 32.377 32.500 0.041 0.000 0.714 282 K HN 0.441 nan 8.250 nan 0.000 0.440 283 K N -0.011 120.412 120.400 0.038 0.000 2.148 283 K HA -0.063 4.257 4.320 -0.000 0.000 0.204 283 K C 1.802 178.423 176.600 0.035 0.000 1.050 283 K CA 1.142 57.445 56.287 0.026 0.000 0.942 283 K CB -0.102 32.404 32.500 0.011 0.000 0.724 283 K HN 0.201 nan 8.250 nan 0.000 0.446 284 A N 0.986 123.843 122.820 0.062 0.000 1.930 284 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 284 A C 2.052 179.709 177.584 0.122 0.000 1.175 284 A CA 1.354 53.440 52.037 0.082 0.000 0.627 284 A CB -0.528 18.540 19.000 0.113 0.000 0.815 284 A HN 0.349 nan 8.150 nan 0.000 0.443 285 I N -0.164 120.505 120.570 0.165 0.000 2.315 285 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 285 I C 2.841 179.040 176.117 0.135 0.000 1.117 285 I CA 0.959 62.393 61.300 0.223 0.000 1.404 285 I CB -0.263 37.863 38.000 0.210 0.000 1.071 285 I HN 0.331 nan 8.210 nan 0.000 0.419 286 A N 0.803 123.658 122.820 0.058 0.000 2.070 286 A HA -0.097 4.223 4.320 -0.000 0.000 0.220 286 A C 2.513 180.078 177.584 -0.032 0.000 1.159 286 A CA 1.488 53.536 52.037 0.018 0.000 0.656 286 A CB -0.656 18.350 19.000 0.009 0.000 0.800 286 A HN 0.428 nan 8.150 nan 0.000 0.453 287 A N -1.100 121.652 122.820 -0.114 0.000 2.024 287 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 287 A C 1.823 179.213 177.584 -0.323 0.000 1.164 287 A CA 1.578 53.460 52.037 -0.259 0.000 0.643 287 A CB -0.677 18.087 19.000 -0.394 0.000 0.806 287 A HN 0.705 nan 8.150 nan 0.000 0.451 288 H N -1.665 117.434 119.070 0.049 0.000 2.705 288 H HA 0.257 4.813 4.556 -0.000 0.000 0.269 288 H C 1.762 177.108 175.328 0.030 0.000 0.998 288 H CA 0.097 56.175 56.048 0.050 0.000 1.193 288 H CB 0.003 29.812 29.762 0.078 0.000 1.485 288 H HN 0.386 nan 8.280 nan 0.000 0.521 289 L N 0.921 122.201 121.223 0.095 0.000 2.079 289 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 289 L C 2.437 179.330 176.870 0.038 0.000 1.081 289 L CA 1.165 56.035 54.840 0.048 0.000 0.752 289 L CB -0.113 41.959 42.059 0.021 0.000 0.896 289 L HN 0.223 nan 8.230 nan 0.000 0.433 290 E N -0.508 119.713 120.200 0.035 0.000 2.048 290 E HA -0.311 4.039 4.350 -0.000 0.000 0.202 290 E C 2.133 178.757 176.600 0.039 0.000 1.021 290 E CA 2.299 58.716 56.400 0.029 0.000 0.825 290 E CB -0.526 29.189 29.700 0.025 0.000 0.756 290 E HN 0.521 nan 8.360 nan 0.000 0.454 291 T N -0.140 114.450 114.554 0.060 0.000 2.942 291 T HA -0.068 4.282 4.350 -0.000 0.000 0.265 291 T C 1.838 176.575 174.700 0.061 0.000 1.062 291 T CA 0.432 62.571 62.100 0.066 0.000 1.139 291 T CB 0.060 68.982 68.868 0.090 0.000 0.883 291 T HN -0.072 nan 8.240 nan 0.000 0.468 292 L N 1.478 122.738 121.223 0.062 0.000 2.209 292 L HA 0.339 4.678 4.340 -0.000 0.000 0.207 292 L C 1.313 178.186 176.870 0.005 0.000 1.094 292 L CA 0.958 55.819 54.840 0.036 0.000 0.790 292 L CB -1.030 41.046 42.059 0.028 0.000 0.932 292 L HN 0.261 nan 8.230 nan 0.000 0.447 293 T N -0.301 114.256 114.554 0.005 0.000 2.916 293 T HA 0.392 4.742 4.350 -0.000 0.000 0.303 293 T C 1.147 175.845 174.700 -0.004 0.000 1.025 293 T CA 0.656 62.751 62.100 -0.008 0.000 1.142 293 T CB 0.697 69.563 68.868 -0.003 0.000 0.947 293 T HN 0.545 nan 8.240 nan 0.000 0.544 294 G N 2.750 111.543 108.800 -0.012 0.000 2.205 294 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.261 294 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.261 294 G C 0.198 175.094 174.900 -0.007 0.000 0.980 294 G CA -0.173 44.921 45.100 -0.010 0.000 0.632 294 G HN 0.602 nan 8.290 nan 0.000 0.533 295 K N 1.601 121.999 120.400 -0.004 0.000 2.249 295 K HA 0.457 4.777 4.320 -0.000 0.000 0.280 295 K C 0.715 177.315 176.600 0.001 0.000 1.033 295 K CA 0.374 56.665 56.287 0.007 0.000 0.946 295 K CB 1.408 33.920 32.500 0.020 0.000 1.005 295 K HN 0.562 nan 8.250 nan 0.000 0.469 296 S N 2.533 118.240 115.700 0.011 0.000 2.537 296 S HA 0.442 4.912 4.470 -0.000 0.000 0.275 296 S C -0.182 174.438 174.600 0.034 0.000 1.272 296 S CA -0.975 57.231 58.200 0.011 0.000 1.050 296 S CB 0.934 64.140 63.200 0.010 0.000 0.961 296 S HN 0.493 nan 8.310 nan 0.000 0.496 297 L N 2.752 123.993 121.223 0.030 0.000 2.346 297 L HA 0.827 5.167 4.340 -0.000 0.000 0.274 297 L C -1.400 175.537 176.870 0.111 0.000 1.007 297 L CA -0.887 53.989 54.840 0.059 0.000 0.818 297 L CB 1.759 43.811 42.059 -0.011 0.000 1.284 297 L HN 0.831 nan 8.230 nan 0.000 0.424 298 F N 5.253 125.205 119.950 0.004 0.000 2.547 298 F HA 0.672 5.198 4.527 -0.000 0.000 0.316 298 F C -1.155 174.651 175.800 0.010 0.000 1.121 298 F CA -0.713 57.274 58.000 -0.021 0.000 0.911 298 F CB 1.810 40.808 39.000 -0.004 0.000 1.179 298 F HN 0.323 nan 8.300 nan 0.000 0.443 299 M N 7.174 126.609 119.600 -0.275 0.000 2.134 299 M HA 0.325 4.805 4.480 -0.000 0.000 0.310 299 M C -1.348 174.852 176.300 -0.166 0.000 0.966 299 M CA -0.518 54.748 55.300 -0.056 0.000 0.922 299 M CB 1.659 34.215 32.600 -0.073 0.000 1.537 299 M HN 0.430 nan 8.290 nan 0.000 0.424 300 F N 4.443 124.476 119.950 0.139 0.000 2.410 300 F HA 0.333 4.860 4.527 -0.000 0.000 0.334 300 F C -1.585 174.243 175.800 0.047 0.000 1.134 300 F CA -1.339 56.739 58.000 0.129 0.000 1.227 300 F CB 0.436 39.524 39.000 0.146 0.000 1.194 300 F HN 0.315 nan 8.300 nan 0.000 0.571 301 P HA 0.127 nan 4.420 nan 0.000 0.281 301 P C -0.831 176.561 177.300 0.154 0.000 1.252 301 P CA 0.059 63.247 63.100 0.145 0.000 0.778 301 P CB 1.676 33.448 31.700 0.121 0.000 0.895 302 D N 1.346 121.838 120.400 0.153 0.000 2.618 302 D HA -0.033 4.607 4.640 -0.000 0.000 0.278 302 D C 1.228 177.720 176.300 0.320 0.000 1.203 302 D CA 0.640 54.754 54.000 0.190 0.000 1.073 302 D CB 0.224 41.113 40.800 0.148 0.000 1.632 302 D HN 0.454 nan 8.370 nan 0.000 0.473 303 S N -0.468 115.378 115.700 0.243 0.000 2.632 303 S HA 0.126 4.596 4.470 -0.000 0.000 0.237 303 S C 0.854 175.516 174.600 0.103 0.000 1.037 303 S CA -0.054 58.249 58.200 0.172 0.000 1.009 303 S CB 1.510 64.780 63.200 0.117 0.000 0.974 303 S HN 0.134 nan 8.310 nan 0.000 0.544 304 Q N -0.239 119.643 119.800 0.137 0.000 2.374 304 Q HA -0.147 4.193 4.340 -0.000 0.000 0.218 304 Q C 0.616 176.665 176.000 0.083 0.000 0.691 304 Q CA 1.275 57.166 55.803 0.147 0.000 1.340 304 Q CB -1.941 26.942 28.738 0.242 0.000 1.498 304 Q HN 0.591 nan 8.270 nan 0.000 0.739 305 L N 0.766 122.017 121.223 0.047 0.000 2.567 305 L HA -0.037 4.303 4.340 -0.000 0.000 0.225 305 L C 2.337 179.131 176.870 -0.128 0.000 1.119 305 L CA 0.512 55.313 54.840 -0.065 0.000 0.871 305 L CB -0.270 41.720 42.059 -0.115 0.000 1.036 305 L HN 0.282 nan 8.230 nan 0.000 0.459 306 E N 1.245 121.411 120.200 -0.056 0.000 2.031 306 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 306 E C 2.059 178.612 176.600 -0.079 0.000 0.994 306 E CA 1.306 57.665 56.400 -0.068 0.000 0.800 306 E CB -0.597 29.083 29.700 -0.034 0.000 0.752 306 E HN 0.443 nan 8.360 nan 0.000 0.447 307 I N 2.057 122.601 120.570 -0.043 0.000 2.087 307 I HA -0.251 3.919 4.170 -0.000 0.000 0.240 307 I C -0.426 175.690 176.117 -0.002 0.000 1.054 307 I CA 1.931 63.220 61.300 -0.019 0.000 1.311 307 I CB -1.563 36.446 38.000 0.014 0.000 1.024 307 I HN 0.139 nan 8.210 nan 0.000 0.402 308 P HA -0.162 nan 4.420 nan 0.000 0.215 308 P C 1.957 179.247 177.300 -0.016 0.000 1.157 308 P CA 1.550 64.715 63.100 0.107 0.000 0.868 308 P CB -0.065 31.808 31.700 0.290 0.000 0.788 309 L N -1.102 119.974 121.223 -0.245 0.000 2.083 309 L HA -0.178 4.161 4.340 -0.000 0.000 0.209 309 L C 2.496 179.285 176.870 -0.134 0.000 1.083 309 L CA 1.551 56.233 54.840 -0.264 0.000 0.752 309 L CB -1.194 40.652 42.059 -0.355 0.000 0.899 309 L HN -0.035 nan 8.230 nan 0.000 0.433 310 A N -0.153 122.595 122.820 -0.120 0.000 1.933 310 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 310 A C 2.489 180.033 177.584 -0.066 0.000 1.175 310 A CA 1.370 53.341 52.037 -0.110 0.000 0.628 310 A CB -0.517 18.430 19.000 -0.088 0.000 0.814 310 A HN 0.269 nan 8.150 nan 0.000 0.444 311 R N -1.004 119.489 120.500 -0.012 0.000 2.081 311 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 311 R C 1.940 178.252 176.300 0.021 0.000 1.131 311 R CA 2.001 58.111 56.100 0.017 0.000 0.960 311 R CB -0.803 29.530 30.300 0.056 0.000 0.856 311 R HN 0.527 nan 8.270 nan 0.000 0.436 312 F N 1.376 121.273 119.950 -0.088 0.000 2.171 312 F HA -0.134 4.393 4.527 -0.000 0.000 0.300 312 F C 1.923 177.646 175.800 -0.128 0.000 1.090 312 F CA 1.371 59.318 58.000 -0.090 0.000 1.293 312 F CB -0.246 38.701 39.000 -0.089 0.000 1.013 312 F HN -0.017 nan 8.300 nan 0.000 0.486 313 L N -0.450 120.535 121.223 -0.397 0.000 2.179 313 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 313 L C 2.731 179.414 176.870 -0.311 0.000 1.096 313 L CA 0.785 55.325 54.840 -0.501 0.000 0.779 313 L CB -1.116 40.678 42.059 -0.441 0.000 0.922 313 L HN 0.233 nan 8.230 nan 0.000 0.443 314 A N 0.655 123.368 122.820 -0.178 0.000 1.832 314 A HA -0.160 4.160 4.320 -0.000 0.000 0.214 314 A C 2.386 179.943 177.584 -0.045 0.000 1.200 314 A CA 1.340 53.342 52.037 -0.059 0.000 0.610 314 A CB -0.429 18.598 19.000 0.044 0.000 0.842 314 A HN 0.258 nan 8.150 nan 0.000 0.444 315 R N -0.424 120.025 120.500 -0.085 0.000 2.090 315 R HA -0.032 4.308 4.340 -0.000 0.000 0.228 315 R C 1.777 177.996 176.300 -0.134 0.000 1.110 315 R CA 1.517 57.545 56.100 -0.120 0.000 0.973 315 R CB -0.154 30.008 30.300 -0.231 0.000 0.869 315 R HN 0.641 nan 8.270 nan 0.000 0.440 316 E N -1.118 118.937 120.200 -0.241 0.000 2.460 316 E HA 0.041 4.391 4.350 -0.000 0.000 0.200 316 E C 0.708 177.126 176.600 -0.303 0.000 1.011 316 E CA 0.146 56.392 56.400 -0.257 0.000 0.912 316 E CB 0.734 30.277 29.700 -0.261 0.000 0.953 316 E HN 0.268 nan 8.360 nan 0.000 0.494 317 C N 0.197 119.283 119.300 -0.357 0.000 3.385 317 C HA 0.343 4.803 4.460 -0.000 0.000 0.288 317 C C 1.379 176.284 174.990 -0.141 0.000 1.429 317 C CA -0.059 58.803 59.018 -0.258 0.000 1.778 317 C CB -0.192 27.335 27.740 -0.356 0.000 2.503 317 C HN 0.572 nan 8.230 nan 0.000 0.646 318 G N 2.023 110.758 108.800 -0.107 0.000 2.283 318 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.280 318 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.280 318 G C -0.058 174.811 174.900 -0.053 0.000 1.029 318 G CA 0.228 45.299 45.100 -0.049 0.000 0.840 318 G HN 0.580 nan 8.290 nan 0.000 0.505 319 M N -0.181 119.369 119.600 -0.084 0.000 2.211 319 M HA 0.282 4.762 4.480 -0.000 0.000 0.356 319 M C 0.569 176.840 176.300 -0.048 0.000 1.216 319 M CA -0.341 54.915 55.300 -0.073 0.000 1.134 319 M CB 0.886 33.416 32.600 -0.116 0.000 1.564 319 M HN -0.149 nan 8.290 nan 0.000 0.463 320 K N 2.253 122.631 120.400 -0.036 0.000 2.297 320 K HA 0.216 4.536 4.320 -0.000 0.000 0.286 320 K C -0.139 176.441 176.600 -0.034 0.000 1.053 320 K CA 0.035 56.303 56.287 -0.033 0.000 0.940 320 K CB 0.928 33.411 32.500 -0.027 0.000 1.019 320 K HN 0.613 nan 8.250 nan 0.000 0.475 321 T N 1.708 116.239 114.554 -0.039 0.000 2.913 321 T HA 0.294 4.643 4.350 -0.000 0.000 0.287 321 T C 0.630 175.302 174.700 -0.046 0.000 1.008 321 T CA 0.065 62.137 62.100 -0.048 0.000 1.067 321 T CB 0.799 69.639 68.868 -0.047 0.000 0.996 321 T HN 0.550 nan 8.240 nan 0.000 0.513 322 T N 1.717 116.234 114.554 -0.061 0.000 2.206 322 T HA 0.308 4.658 4.350 -0.000 0.000 0.168 322 T C -0.509 174.119 174.700 -0.119 0.000 0.753 322 T CA -0.442 61.630 62.100 -0.047 0.000 1.041 322 T CB 0.045 68.940 68.868 0.044 0.000 2.919 322 T HN 0.631 nan 8.240 nan 0.000 0.392 323 E N 0.727 120.781 120.200 -0.244 0.000 2.151 323 E HA 0.491 4.841 4.350 -0.000 0.000 0.275 323 E C -1.729 174.470 176.600 -0.668 0.000 0.936 323 E CA -0.380 55.758 56.400 -0.437 0.000 0.777 323 E CB 0.676 30.088 29.700 -0.480 0.000 1.108 323 E HN 0.190 nan 8.360 nan 0.000 0.401 324 I N 4.001 124.325 120.570 -0.411 0.000 2.382 324 I HA 0.357 4.527 4.170 -0.000 0.000 0.285 324 I C -0.363 175.597 176.117 -0.262 0.000 1.007 324 I CA -0.122 60.975 61.300 -0.338 0.000 1.142 324 I CB 1.395 39.277 38.000 -0.196 0.000 1.289 324 I HN 0.575 nan 8.210 nan 0.000 0.453 325 A N 4.069 126.726 122.820 -0.273 0.000 2.320 325 A HA 0.913 5.233 4.320 -0.000 0.000 0.334 325 A C -0.217 177.333 177.584 -0.057 0.000 1.147 325 A CA -0.467 51.479 52.037 -0.151 0.000 0.820 325 A CB 1.409 20.319 19.000 -0.150 0.000 1.218 325 A HN 0.525 nan 8.150 nan 0.000 0.482 326 T N 0.949 115.497 114.554 -0.010 0.000 2.933 326 T HA 0.571 4.921 4.350 -0.000 0.000 0.305 326 T C -2.196 172.554 174.700 0.084 0.000 1.092 326 T CA -1.523 60.604 62.100 0.044 0.000 1.008 326 T CB 1.761 70.653 68.868 0.040 0.000 1.102 326 T HN 0.317 nan 8.240 nan 0.000 0.469 327 P HA 0.015 nan 4.420 nan 0.000 0.215 327 P C 0.065 177.512 177.300 0.244 0.000 1.157 327 P CA 1.026 64.230 63.100 0.173 0.000 0.874 327 P CB 0.092 31.905 31.700 0.187 0.000 0.790 328 F N -0.554 119.444 119.950 0.080 0.000 2.547 328 F HA 0.533 5.060 4.527 -0.000 0.000 0.316 328 F C -1.152 174.705 175.800 0.095 0.000 1.121 328 F CA -1.449 56.603 58.000 0.087 0.000 0.911 328 F CB 1.609 40.673 39.000 0.107 0.000 1.179 328 F HN -0.339 nan 8.300 nan 0.000 0.443 329 L N 6.893 127.771 121.223 -0.574 0.000 2.324 329 L HA 0.332 4.672 4.340 -0.000 0.000 0.274 329 L C -1.140 175.462 176.870 -0.447 0.000 1.012 329 L CA -0.364 54.274 54.840 -0.336 0.000 0.859 329 L CB 0.105 42.036 42.059 -0.213 0.000 1.224 329 L HN 0.617 nan 8.230 nan 0.000 0.429 330 H N 4.621 123.583 119.070 -0.179 0.000 2.846 330 H HA 0.162 4.718 4.556 -0.000 0.000 0.278 330 H C 0.633 175.972 175.328 0.018 0.000 1.117 330 H CA -0.214 55.838 56.048 0.006 0.000 1.406 330 H CB 1.069 30.998 29.762 0.278 0.000 1.445 330 H HN 0.515 nan 8.280 nan 0.000 0.469 331 K N 3.906 124.228 120.400 -0.130 0.000 2.032 331 K HA -0.178 4.142 4.320 -0.000 0.000 0.218 331 K C 1.901 178.554 176.600 0.089 0.000 1.054 331 K CA 1.768 58.032 56.287 -0.039 0.000 0.941 331 K CB -0.622 31.820 32.500 -0.096 0.000 0.720 331 K HN 0.705 nan 8.250 nan 0.000 0.449 332 A N 0.463 123.382 122.820 0.166 0.000 1.897 332 A HA -0.062 4.258 4.320 -0.000 0.000 0.215 332 A C 2.415 180.129 177.584 0.217 0.000 1.181 332 A CA 1.240 53.393 52.037 0.194 0.000 0.620 332 A CB -0.473 18.651 19.000 0.206 0.000 0.821 332 A HN 0.247 nan 8.150 nan 0.000 0.443 333 I N -1.623 119.166 120.570 0.365 0.000 2.252 333 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 333 I C 2.498 178.749 176.117 0.222 0.000 1.102 333 I CA 1.567 62.983 61.300 0.193 0.000 1.385 333 I CB -0.091 37.962 38.000 0.088 0.000 1.064 333 I HN 0.288 nan 8.210 nan 0.000 0.414 334 M N 0.085 119.833 119.600 0.248 0.000 2.558 334 M HA 0.116 4.596 4.480 -0.000 0.000 0.255 334 M C 2.055 178.432 176.300 0.128 0.000 1.113 334 M CA 0.782 56.212 55.300 0.216 0.000 1.097 334 M CB -0.271 32.435 32.600 0.176 0.000 1.426 334 M HN 0.209 nan 8.290 nan 0.000 0.488 335 A N 1.064 123.939 122.820 0.091 0.000 1.903 335 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 335 A C -0.344 177.257 177.584 0.028 0.000 1.191 335 A CA 1.852 53.917 52.037 0.047 0.000 0.638 335 A CB -2.199 16.820 19.000 0.031 0.000 0.823 335 A HN 0.387 nan 8.150 nan 0.000 0.451 336 P HA -0.155 nan 4.420 nan 0.000 0.215 336 P C 0.879 178.189 177.300 0.016 0.000 1.157 336 P CA 1.499 64.590 63.100 -0.015 0.000 0.874 336 P CB -0.124 31.536 31.700 -0.068 0.000 0.790 337 D N -0.953 119.485 120.400 0.063 0.000 2.144 337 D HA -0.070 4.570 4.640 -0.000 0.000 0.200 337 D C 2.036 178.376 176.300 0.067 0.000 0.978 337 D CA 0.886 54.942 54.000 0.094 0.000 0.833 337 D CB -0.326 40.587 40.800 0.188 0.000 0.961 337 D HN 0.157 nan 8.370 nan 0.000 0.470 338 L N 0.774 122.033 121.223 0.061 0.000 2.131 338 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 338 L C 2.499 179.392 176.870 0.039 0.000 1.092 338 L CA 0.818 55.684 54.840 0.044 0.000 0.759 338 L CB -0.298 41.781 42.059 0.034 0.000 0.903 338 L HN -0.038 nan 8.230 nan 0.000 0.435 339 A N -0.392 122.446 122.820 0.030 0.000 2.121 339 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 339 A C 2.061 179.665 177.584 0.033 0.000 1.154 339 A CA 1.092 53.145 52.037 0.027 0.000 0.679 339 A CB -0.320 18.685 19.000 0.009 0.000 0.795 339 A HN 0.438 nan 8.150 nan 0.000 0.458 340 L N -1.040 120.193 121.223 0.016 0.000 2.590 340 L HA 0.272 4.612 4.340 -0.000 0.000 0.227 340 L C 0.490 177.372 176.870 0.021 0.000 1.099 340 L CA -0.282 54.536 54.840 -0.036 0.000 0.872 340 L CB -0.051 41.964 42.059 -0.074 0.000 1.088 340 L HN 0.223 nan 8.230 nan 0.000 0.479 341 L N 2.965 124.237 121.223 0.082 0.000 2.453 341 L HA 0.147 4.487 4.340 -0.000 0.000 0.272 341 L C -1.780 175.229 176.870 0.233 0.000 1.182 341 L CA -1.685 53.229 54.840 0.123 0.000 0.858 341 L CB 0.736 42.833 42.059 0.062 0.000 1.120 341 L HN -0.191 nan 8.230 nan 0.000 0.474 342 P HA -0.040 nan 4.420 nan 0.000 0.261 342 P C 0.107 177.416 177.300 0.016 0.000 1.183 342 P CA 0.013 63.192 63.100 0.131 0.000 0.761 342 P CB 0.455 32.173 31.700 0.030 0.000 0.785 343 S N 1.210 116.888 115.700 -0.036 0.000 2.803 343 S HA -0.068 4.402 4.470 -0.000 0.000 0.226 343 S C 1.202 175.773 174.600 -0.049 0.000 0.962 343 S CA -0.129 58.054 58.200 -0.028 0.000 0.968 343 S CB -1.053 62.131 63.200 -0.027 0.000 0.786 343 S HN 0.586 nan 8.310 nan 0.000 0.527 344 N N 0.760 119.424 118.700 -0.060 0.000 2.356 344 N HA -0.054 4.686 4.740 -0.000 0.000 0.178 344 N C -0.360 175.121 175.510 -0.049 0.000 1.075 344 N CA 0.118 53.133 53.050 -0.058 0.000 0.889 344 N CB -0.543 37.903 38.487 -0.069 0.000 0.999 344 N HN 0.141 nan 8.380 nan 0.000 0.464 345 T N 1.794 116.322 114.554 -0.045 0.000 2.871 345 T HA 0.240 4.590 4.350 -0.000 0.000 0.296 345 T C 0.269 174.932 174.700 -0.062 0.000 0.998 345 T CA -0.053 62.014 62.100 -0.055 0.000 1.162 345 T CB 0.671 69.512 68.868 -0.045 0.000 0.947 345 T HN 0.359 nan 8.240 nan 0.000 0.536 346 A N 5.003 127.775 122.820 -0.079 0.000 2.302 346 A HA 0.529 4.849 4.320 -0.000 0.000 0.295 346 A C 0.129 177.648 177.584 -0.108 0.000 1.235 346 A CA -0.592 51.397 52.037 -0.081 0.000 0.876 346 A CB -0.063 18.892 19.000 -0.075 0.000 1.133 346 A HN 0.869 nan 8.150 nan 0.000 0.533 347 L N 2.806 123.978 121.223 -0.085 0.000 2.289 347 L HA 0.457 4.797 4.340 -0.000 0.000 0.285 347 L C 0.047 176.865 176.870 -0.087 0.000 1.049 347 L CA -0.111 54.675 54.840 -0.090 0.000 0.804 347 L CB 1.796 43.816 42.059 -0.066 0.000 1.195 347 L HN 0.674 nan 8.230 nan 0.000 0.428 348 T N 2.163 116.656 114.554 -0.101 0.000 2.848 348 T HA 0.268 4.618 4.350 -0.000 0.000 0.285 348 T C -0.722 173.944 174.700 -0.056 0.000 0.995 348 T CA -0.585 61.470 62.100 -0.075 0.000 0.970 348 T CB 1.904 70.722 68.868 -0.083 0.000 0.976 348 T HN 0.512 nan 8.240 nan 0.000 0.441 349 E N 2.111 122.286 120.200 -0.041 0.000 2.129 349 E HA 0.549 4.899 4.350 -0.000 0.000 0.268 349 E C 0.482 177.091 176.600 0.014 0.000 0.900 349 E CA -0.204 56.180 56.400 -0.027 0.000 0.755 349 E CB 0.492 30.147 29.700 -0.076 0.000 1.117 349 E HN 0.972 nan 8.360 nan 0.000 0.410 350 G N 3.385 112.214 108.800 0.050 0.000 2.512 350 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.210 350 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.210 350 G C -0.795 174.146 174.900 0.069 0.000 1.295 350 G CA -0.129 45.014 45.100 0.072 0.000 0.934 350 G HN 0.676 nan 8.290 nan 0.000 0.554 351 Q N -0.543 119.301 119.800 0.072 0.000 2.430 351 Q HA 0.446 4.786 4.340 -0.000 0.000 0.253 351 Q C -2.416 173.629 176.000 0.076 0.000 0.945 351 Q CA -0.536 55.319 55.803 0.088 0.000 0.964 351 Q CB 1.761 30.567 28.738 0.114 0.000 1.460 351 Q HN 0.662 nan 8.270 nan 0.000 0.428 352 D N 4.221 124.668 120.400 0.078 0.000 2.477 352 D HA 0.152 4.792 4.640 -0.000 0.000 0.239 352 D C 0.675 177.028 176.300 0.089 0.000 1.102 352 D CA -0.432 53.609 54.000 0.069 0.000 0.901 352 D CB 1.088 41.921 40.800 0.055 0.000 1.026 352 D HN 0.591 nan 8.370 nan 0.000 0.515 353 L N 3.335 124.611 121.223 0.088 0.000 2.034 353 L HA -0.188 4.152 4.340 -0.000 0.000 0.217 353 L C 1.778 178.709 176.870 0.101 0.000 1.077 353 L CA 1.934 56.838 54.840 0.106 0.000 0.769 353 L CB -0.102 41.986 42.059 0.048 0.000 0.890 353 L HN 0.419 nan 8.230 nan 0.000 0.435 354 E N -0.604 119.635 120.200 0.066 0.000 2.107 354 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 354 E C 2.200 178.842 176.600 0.070 0.000 0.982 354 E CA 1.151 57.585 56.400 0.056 0.000 0.809 354 E CB -0.392 29.329 29.700 0.036 0.000 0.756 354 E HN 0.636 nan 8.360 nan 0.000 0.459 355 A N 1.204 124.066 122.820 0.071 0.000 1.877 355 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 355 A C 2.174 179.814 177.584 0.094 0.000 1.186 355 A CA 1.813 53.892 52.037 0.069 0.000 0.620 355 A CB -0.565 18.470 19.000 0.059 0.000 0.822 355 A HN 0.228 nan 8.150 nan 0.000 0.443 356 Q N -0.659 119.219 119.800 0.131 0.000 2.167 356 Q HA -0.024 4.316 4.340 -0.000 0.000 0.202 356 Q C 1.915 178.034 176.000 0.197 0.000 0.970 356 Q CA 1.020 56.928 55.803 0.175 0.000 0.855 356 Q CB -0.191 28.686 28.738 0.232 0.000 0.911 356 Q HN 0.695 nan 8.270 nan 0.000 0.438 357 L N 0.407 121.754 121.223 0.207 0.000 2.093 357 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 357 L C 1.756 178.698 176.870 0.119 0.000 1.085 357 L CA 0.867 55.811 54.840 0.173 0.000 0.755 357 L CB -0.277 41.847 42.059 0.110 0.000 0.904 357 L HN 0.221 nan 8.230 nan 0.000 0.435 358 D N -0.044 120.409 120.400 0.089 0.000 2.144 358 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 358 D C 2.326 178.655 176.300 0.048 0.000 0.984 358 D CA 0.998 55.035 54.000 0.062 0.000 0.834 358 D CB -0.081 40.748 40.800 0.049 0.000 0.955 358 D HN 0.247 nan 8.370 nan 0.000 0.465 359 R N -0.383 120.154 120.500 0.062 0.000 2.075 359 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 359 R C 2.226 178.522 176.300 -0.005 0.000 1.126 359 R CA 1.044 57.176 56.100 0.054 0.000 0.963 359 R CB -0.442 29.921 30.300 0.104 0.000 0.858 359 R HN 0.371 nan 8.270 nan 0.000 0.435 360 H N 0.939 119.890 119.070 -0.198 0.000 2.293 360 H HA -0.145 4.410 4.556 -0.000 0.000 0.300 360 H C 2.042 177.182 175.328 -0.313 0.000 1.082 360 H CA 1.999 57.745 56.048 -0.503 0.000 1.308 360 H CB 0.020 29.386 29.762 -0.660 0.000 1.375 360 H HN 0.001 nan 8.280 nan 0.000 0.495 361 E N 0.459 120.608 120.200 -0.084 0.000 2.160 361 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 361 E C 2.182 178.733 176.600 -0.081 0.000 0.991 361 E CA 1.254 57.631 56.400 -0.039 0.000 0.810 361 E CB -0.605 29.150 29.700 0.092 0.000 0.742 361 E HN 0.591 nan 8.360 nan 0.000 0.466 362 A N 0.019 122.794 122.820 -0.074 0.000 1.873 362 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 362 A C 2.263 179.799 177.584 -0.080 0.000 1.186 362 A CA 1.465 53.471 52.037 -0.052 0.000 0.616 362 A CB -0.622 18.364 19.000 -0.022 0.000 0.823 362 A HN 0.291 nan 8.150 nan 0.000 0.442 363 I N -0.391 120.103 120.570 -0.127 0.000 2.286 363 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 363 I C 0.883 176.912 176.117 -0.146 0.000 1.115 363 I CA 1.004 62.235 61.300 -0.114 0.000 1.392 363 I CB -0.577 37.374 38.000 -0.082 0.000 1.065 363 I HN 0.507 nan 8.210 nan 0.000 0.418 364 N N 0.591 119.137 118.700 -0.256 0.000 2.642 364 N HA -0.126 4.614 4.740 -0.000 0.000 0.269 364 N C -2.418 172.999 175.510 -0.155 0.000 1.073 364 N CA 0.094 53.027 53.050 -0.195 0.000 0.748 364 N CB -0.654 37.819 38.487 -0.024 0.000 0.894 364 N HN 0.188 nan 8.380 nan 0.000 0.548 365 P HA 0.286 nan 4.420 nan 0.000 0.281 365 P C 0.277 177.580 177.300 0.004 0.000 1.249 365 P CA -0.299 62.746 63.100 -0.092 0.000 0.810 365 P CB 0.802 32.469 31.700 -0.054 0.000 1.008 366 D N 0.162 120.590 120.400 0.046 0.000 2.117 366 D HA -0.023 4.617 4.640 -0.000 0.000 0.198 366 D C 0.392 176.758 176.300 0.110 0.000 0.982 366 D CA 1.546 55.591 54.000 0.075 0.000 0.828 366 D CB 0.021 40.855 40.800 0.057 0.000 0.967 366 D HN 0.165 nan 8.370 nan 0.000 0.464 367 L N -0.006 121.292 121.223 0.126 0.000 2.438 367 L HA 0.341 4.681 4.340 -0.000 0.000 0.270 367 L C -1.251 175.751 176.870 0.222 0.000 0.972 367 L CA -0.203 54.738 54.840 0.168 0.000 0.831 367 L CB 2.429 44.587 42.059 0.164 0.000 1.273 367 L HN -0.313 nan 8.230 nan 0.000 0.405 368 T N 4.227 118.936 114.554 0.260 0.000 2.791 368 T HA 0.523 4.873 4.350 -0.000 0.000 0.288 368 T C -0.560 174.329 174.700 0.315 0.000 0.999 368 T CA -0.435 61.872 62.100 0.345 0.000 0.952 368 T CB 1.365 70.463 68.868 0.382 0.000 0.938 368 T HN 0.317 nan 8.240 nan 0.000 0.444 369 V N 4.073 124.190 119.914 0.338 0.000 2.461 369 V HA 0.563 4.683 4.120 -0.000 0.000 0.275 369 V C 0.685 176.979 176.094 0.332 0.000 1.047 369 V CA -0.628 61.837 62.300 0.275 0.000 0.955 369 V CB -0.315 31.648 31.823 0.233 0.000 0.988 369 V HN 1.218 nan 8.190 nan 0.000 0.471 370 C N 2.515 121.942 119.300 0.212 0.000 3.320 370 C HA 0.927 5.387 4.460 -0.000 0.000 0.335 370 C C 0.395 175.427 174.990 0.070 0.000 1.430 370 C CA -0.364 58.724 59.018 0.117 0.000 1.271 370 C CB 1.188 28.876 27.740 -0.087 0.000 1.609 370 C HN 1.040 nan 8.230 nan 0.000 0.457 371 G N 0.101 108.893 108.800 -0.014 0.000 2.528 371 G HA2 0.512 4.472 3.960 -0.000 0.000 0.289 371 G HA3 0.512 4.472 3.960 -0.000 0.000 0.289 371 G C 0.341 175.235 174.900 -0.009 0.000 1.192 371 G CA -0.637 44.477 45.100 0.023 0.000 0.921 371 G HN 0.810 nan 8.290 nan 0.000 0.512 372 L N 1.388 122.636 121.223 0.041 0.000 2.456 372 L HA 0.025 4.365 4.340 -0.000 0.000 0.224 372 L C 2.798 179.614 176.870 -0.091 0.000 1.148 372 L CA 1.326 56.150 54.840 -0.028 0.000 0.825 372 L CB -1.621 40.414 42.059 -0.041 0.000 0.937 372 L HN 0.699 nan 8.230 nan 0.000 0.450 373 G N -0.697 108.019 108.800 -0.139 0.000 2.408 373 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 373 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 373 G C 1.534 176.335 174.900 -0.165 0.000 1.150 373 G CA 0.342 45.347 45.100 -0.159 0.000 0.776 373 G HN 0.262 nan 8.290 nan 0.000 0.542 374 L N 0.480 121.579 121.223 -0.206 0.000 2.316 374 L HA 0.436 4.776 4.340 -0.000 0.000 0.207 374 L C 3.077 179.843 176.870 -0.173 0.000 1.070 374 L CA 0.774 55.461 54.840 -0.256 0.000 0.820 374 L CB -1.108 40.666 42.059 -0.474 0.000 0.992 374 L HN 0.246 nan 8.230 nan 0.000 0.466 375 A N 0.742 123.493 122.820 -0.116 0.000 1.873 375 A HA -0.349 3.971 4.320 -0.000 0.000 0.219 375 A C 2.161 179.722 177.584 -0.038 0.000 1.269 375 A CA 2.809 54.817 52.037 -0.049 0.000 0.671 375 A CB -1.153 17.840 19.000 -0.013 0.000 0.842 375 A HN 0.557 nan 8.150 nan 0.000 0.460 376 N N -0.232 118.439 118.700 -0.050 0.000 2.106 376 N HA -0.070 4.670 4.740 -0.000 0.000 0.188 376 N C -1.033 174.456 175.510 -0.034 0.000 1.029 376 N CA 1.463 54.490 53.050 -0.039 0.000 0.848 376 N CB -0.723 37.736 38.487 -0.048 0.000 1.007 376 N HN 0.354 nan 8.380 nan 0.000 0.423 377 P HA -0.177 nan 4.420 nan 0.000 0.218 377 P C 1.065 178.353 177.300 -0.019 0.000 1.154 377 P CA 0.980 64.055 63.100 -0.042 0.000 0.872 377 P CB 0.103 31.764 31.700 -0.066 0.000 0.790 378 L N -0.386 120.830 121.223 -0.012 0.000 2.044 378 L HA -0.100 4.240 4.340 -0.000 0.000 0.205 378 L C 2.324 179.243 176.870 0.082 0.000 1.075 378 L CA 1.784 56.667 54.840 0.073 0.000 0.747 378 L CB -1.778 40.311 42.059 0.050 0.000 0.903 378 L HN -0.024 nan 8.230 nan 0.000 0.435 379 E N -0.104 120.123 120.200 0.046 0.000 2.086 379 E HA -0.265 4.085 4.350 -0.000 0.000 0.200 379 E C 2.184 178.776 176.600 -0.014 0.000 1.012 379 E CA 1.550 57.965 56.400 0.025 0.000 0.812 379 E CB -0.349 29.361 29.700 0.015 0.000 0.743 379 E HN 0.456 nan 8.360 nan 0.000 0.453 380 A N 1.468 124.277 122.820 -0.019 0.000 1.978 380 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 380 A C 1.900 179.451 177.584 -0.054 0.000 1.170 380 A CA 1.316 53.334 52.037 -0.031 0.000 0.636 380 A CB -0.173 18.812 19.000 -0.025 0.000 0.810 380 A HN 0.009 nan 8.150 nan 0.000 0.448 381 K N -1.495 118.864 120.400 -0.069 0.000 2.444 381 K HA 0.159 4.479 4.320 -0.000 0.000 0.193 381 K C 1.123 177.536 176.600 -0.313 0.000 1.024 381 K CA 0.794 57.001 56.287 -0.135 0.000 1.077 381 K CB 0.082 32.548 32.500 -0.057 0.000 0.833 381 K HN 0.794 nan 8.250 nan 0.000 0.517 382 G N 1.424 110.072 108.800 -0.252 0.000 2.179 382 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.220 382 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.220 382 G C -0.453 174.305 174.900 -0.237 0.000 0.990 382 G CA -0.284 44.669 45.100 -0.245 0.000 0.646 382 G HN 0.503 nan 8.290 nan 0.000 0.517 383 H N 0.860 119.965 119.070 0.058 0.000 2.517 383 H HA 0.674 5.230 4.556 -0.000 0.000 0.317 383 H C 0.711 176.088 175.328 0.081 0.000 1.080 383 H CA -0.051 56.048 56.048 0.085 0.000 1.301 383 H CB 1.609 31.472 29.762 0.168 0.000 1.425 383 H HN 0.532 nan 8.280 nan 0.000 0.471 384 A N 2.941 125.880 122.820 0.197 0.000 2.425 384 A HA 0.422 4.742 4.320 -0.000 0.000 0.249 384 A C 0.385 178.074 177.584 0.176 0.000 1.084 384 A CA -0.066 52.060 52.037 0.148 0.000 0.781 384 A CB -0.028 19.045 19.000 0.121 0.000 1.019 384 A HN 0.812 nan 8.150 nan 0.000 0.490 385 T N -0.055 114.586 114.554 0.146 0.000 2.900 385 T HA 0.671 5.021 4.350 -0.000 0.000 0.295 385 T C -0.857 173.929 174.700 0.142 0.000 1.044 385 T CA -0.945 61.247 62.100 0.154 0.000 0.995 385 T CB 1.748 70.690 68.868 0.123 0.000 1.072 385 T HN 0.552 nan 8.240 nan 0.000 0.473 386 K N 2.730 123.221 120.400 0.152 0.000 2.463 386 K HA 0.225 4.545 4.320 -0.000 0.000 0.255 386 K C -0.596 176.078 176.600 0.123 0.000 0.942 386 K CA -0.791 55.557 56.287 0.102 0.000 0.814 386 K CB 1.145 33.650 32.500 0.008 0.000 1.122 386 K HN 0.890 nan 8.250 nan 0.000 0.425 387 W N 4.956 126.215 121.300 -0.068 0.000 2.446 387 W HA 0.238 4.898 4.660 -0.000 0.000 0.316 387 W C 0.233 176.698 176.519 -0.091 0.000 1.376 387 W CA -0.291 57.019 57.345 -0.057 0.000 1.300 387 W CB -0.224 29.214 29.460 -0.036 0.000 1.351 387 W HN 0.633 nan 8.180 nan 0.000 0.530 388 A N 4.685 127.459 122.820 -0.076 0.000 1.940 388 A HA -0.205 4.114 4.320 -0.000 0.000 0.219 388 A C 1.857 179.181 177.584 -0.432 0.000 1.176 388 A CA 1.837 53.757 52.037 -0.194 0.000 0.631 388 A CB -0.386 18.607 19.000 -0.012 0.000 0.814 388 A HN 0.680 nan 8.150 nan 0.000 0.446 389 I N -0.366 119.887 120.570 -0.528 0.000 2.394 389 I HA -0.202 3.967 4.170 -0.000 0.000 0.251 389 I C 2.232 177.658 176.117 -1.151 0.000 1.136 389 I CA 1.411 62.375 61.300 -0.560 0.000 1.425 389 I CB -0.354 37.569 38.000 -0.128 0.000 1.079 389 I HN 0.435 nan 8.210 nan 0.000 0.425 390 E N 0.867 119.920 120.200 -1.912 0.000 2.187 390 E HA -0.244 4.106 4.350 -0.000 0.000 0.199 390 E C 2.099 177.846 176.600 -1.423 0.000 1.004 390 E CA 1.172 56.423 56.400 -1.915 0.000 0.813 390 E CB -0.124 28.666 29.700 -1.517 0.000 0.736 390 E HN 0.506 nan 8.360 nan 0.000 0.468 391 L N -0.265 120.398 121.223 -0.934 0.000 2.465 391 L HA -0.087 4.253 4.340 -0.000 0.000 0.224 391 L C 1.957 178.537 176.870 -0.483 0.000 1.145 391 L CA 0.120 54.600 54.840 -0.600 0.000 0.834 391 L CB 0.154 41.965 42.059 -0.414 0.000 0.944 391 L HN 0.045 nan 8.230 nan 0.000 0.451 392 V N -0.935 118.630 119.914 -0.582 0.000 3.174 392 V HA -0.107 4.013 4.120 -0.000 0.000 0.254 392 V C 1.579 177.440 176.094 -0.389 0.000 1.120 392 V CA 1.043 63.107 62.300 -0.394 0.000 1.114 392 V CB -0.176 31.421 31.823 -0.378 0.000 0.756 392 V HN 0.535 nan 8.190 nan 0.000 0.467 393 F N -1.308 118.334 119.950 -0.514 0.000 2.789 393 F HA 0.444 4.971 4.527 -0.000 0.000 0.320 393 F C 0.701 176.364 175.800 -0.228 0.000 1.079 393 F CA -0.566 57.152 58.000 -0.471 0.000 1.205 393 F CB -1.092 37.332 39.000 -0.961 0.000 1.046 393 F HN -0.177 nan 8.300 nan 0.000 0.586 394 T N 4.383 118.729 114.554 -0.347 0.000 2.919 394 T HA 0.231 4.581 4.350 -0.000 0.000 0.302 394 T C -2.531 172.140 174.700 -0.049 0.000 1.031 394 T CA -0.776 61.251 62.100 -0.122 0.000 1.127 394 T CB 0.603 69.298 68.868 -0.288 0.000 0.952 394 T HN -0.122 nan 8.240 nan 0.000 0.540 395 P HA 0.086 nan 4.420 nan 0.000 0.259 395 P C 0.591 177.897 177.300 0.010 0.000 1.211 395 P CA 0.085 63.208 63.100 0.039 0.000 0.810 395 P CB 0.111 31.835 31.700 0.040 0.000 0.815 396 V N 0.247 120.178 119.914 0.029 0.000 3.497 396 V HA 0.231 4.351 4.120 -0.000 0.000 0.272 396 V C 0.436 176.486 176.094 -0.073 0.000 1.474 396 V CA 0.186 62.453 62.300 -0.054 0.000 1.025 396 V CB -0.959 30.782 31.823 -0.138 0.000 0.820 396 V HN 0.282 nan 8.190 nan 0.000 0.437 397 H N 0.297 119.357 119.070 -0.017 0.000 2.551 397 H HA 0.677 5.233 4.556 -0.000 0.000 0.358 397 H C -0.369 174.948 175.328 -0.019 0.000 1.151 397 H CA 0.274 56.222 56.048 -0.167 0.000 1.374 397 H CB 0.363 30.036 29.762 -0.148 0.000 1.473 397 H HN 0.213 nan 8.280 nan 0.000 0.574 398 F N -1.899 117.863 119.950 -0.314 0.000 2.183 398 F HA -0.372 4.155 4.527 -0.000 0.000 0.318 398 F C 0.542 176.194 175.800 -0.247 0.000 0.727 398 F CA 0.149 57.914 58.000 -0.392 0.000 0.912 398 F CB -1.141 37.650 39.000 -0.348 0.000 4.135 398 F HN 0.519 nan 8.300 nan 0.000 0.137 399 Y N -0.430 119.963 120.300 0.155 0.000 2.133 399 Y HA -0.101 4.449 4.550 -0.000 0.000 0.287 399 Y C 2.275 178.210 175.900 0.058 0.000 1.134 399 Y CA 1.773 59.917 58.100 0.074 0.000 1.133 399 Y CB -0.773 37.726 38.460 0.065 0.000 0.987 399 Y HN 0.579 nan 8.280 nan 0.000 0.502 400 E N 0.150 120.481 120.200 0.220 0.000 2.204 400 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 400 E C 1.329 177.989 176.600 0.099 0.000 0.990 400 E CA 1.138 57.617 56.400 0.131 0.000 0.821 400 E CB -0.050 29.702 29.700 0.088 0.000 0.750 400 E HN 0.372 nan 8.360 nan 0.000 0.477 401 Q N -1.380 118.472 119.800 0.086 0.000 2.247 401 Q HA 0.372 4.712 4.340 -0.000 0.000 0.204 401 Q C 1.329 177.347 176.000 0.030 0.000 0.872 401 Q CA 0.526 56.360 55.803 0.052 0.000 0.951 401 Q CB 0.724 29.485 28.738 0.037 0.000 1.099 401 Q HN 0.296 nan 8.270 nan 0.000 0.501 402 A N 0.253 123.104 122.820 0.053 0.000 1.902 402 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 402 A C 2.096 179.765 177.584 0.142 0.000 1.181 402 A CA 1.694 53.754 52.037 0.037 0.000 0.623 402 A CB -1.004 18.066 19.000 0.117 0.000 0.818 402 A HN 0.450 nan 8.150 nan 0.000 0.443 403 G N 0.168 109.072 108.800 0.173 0.000 2.453 403 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.215 403 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.215 403 G C 1.072 176.095 174.900 0.205 0.000 1.201 403 G CA 1.268 46.515 45.100 0.245 0.000 0.784 403 G HN 0.465 nan 8.290 nan 0.000 0.545 404 D N 0.222 120.697 120.400 0.125 0.000 2.133 404 D HA -0.140 4.500 4.640 -0.000 0.000 0.195 404 D C 2.299 178.604 176.300 0.007 0.000 0.997 404 D CA 0.760 54.798 54.000 0.064 0.000 0.840 404 D CB -0.515 40.309 40.800 0.041 0.000 0.947 404 D HN 0.219 nan 8.370 nan 0.000 0.452 405 L N 1.054 122.282 121.223 0.008 0.000 1.971 405 L HA -0.165 4.175 4.340 -0.000 0.000 0.215 405 L C 2.136 179.115 176.870 0.182 0.000 1.072 405 L CA 2.269 57.114 54.840 0.008 0.000 0.758 405 L CB -1.199 40.773 42.059 -0.145 0.000 0.889 405 L HN 0.043 nan 8.230 nan 0.000 0.433 406 A N -0.632 122.343 122.820 0.259 0.000 1.978 406 A HA -0.110 4.210 4.320 -0.000 0.000 0.220 406 A C 2.346 179.797 177.584 -0.222 0.000 1.170 406 A CA 1.632 53.805 52.037 0.226 0.000 0.636 406 A CB -1.635 17.510 19.000 0.241 0.000 0.810 406 A HN 0.604 nan 8.150 nan 0.000 0.448 407 G N -0.294 108.206 108.800 -0.499 0.000 2.442 407 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.219 407 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.219 407 G C 1.328 176.108 174.900 -0.200 0.000 1.141 407 G CA 1.209 45.993 45.100 -0.525 0.000 0.763 407 G HN 0.380 nan 8.290 nan 0.000 0.554 408 L N -0.489 120.632 121.223 -0.170 0.000 2.131 408 L HA 0.103 4.443 4.340 -0.000 0.000 0.210 408 L C 2.370 178.996 176.870 -0.406 0.000 1.092 408 L CA 1.295 55.945 54.840 -0.317 0.000 0.759 408 L CB -0.590 41.162 42.059 -0.511 0.000 0.903 408 L HN 0.294 nan 8.230 nan 0.000 0.435 409 F N -1.976 117.930 119.950 -0.075 0.000 2.505 409 F HA -0.001 4.526 4.527 -0.000 0.000 0.289 409 F C 2.611 178.399 175.800 -0.020 0.000 1.101 409 F CA 0.662 58.642 58.000 -0.033 0.000 1.446 409 F CB -0.804 38.184 39.000 -0.021 0.000 1.123 409 F HN 0.072 nan 8.300 nan 0.000 0.564 410 S N 0.856 116.628 115.700 0.120 0.000 2.383 410 S HA -0.226 4.244 4.470 -0.000 0.000 0.227 410 S C 2.150 176.805 174.600 0.091 0.000 1.026 410 S CA 1.043 59.304 58.200 0.102 0.000 0.981 410 S CB -0.578 62.693 63.200 0.118 0.000 0.818 410 S HN 0.385 nan 8.310 nan 0.000 0.472 411 R N 2.059 122.592 120.500 0.054 0.000 2.073 411 R HA -0.007 4.333 4.340 -0.000 0.000 0.234 411 R C -0.851 175.485 176.300 0.060 0.000 1.134 411 R CA 1.755 57.888 56.100 0.056 0.000 0.952 411 R CB -1.233 29.086 30.300 0.032 0.000 0.850 411 R HN 0.403 nan 8.270 nan 0.000 0.433 412 P HA -0.108 nan 4.420 nan 0.000 0.218 412 P C 1.015 178.359 177.300 0.073 0.000 1.149 412 P CA 1.145 64.285 63.100 0.068 0.000 0.817 412 P CB 0.006 31.753 31.700 0.077 0.000 0.785 413 L N -1.066 120.207 121.223 0.084 0.000 2.093 413 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 413 L C 2.656 179.568 176.870 0.069 0.000 1.085 413 L CA 1.306 56.194 54.840 0.080 0.000 0.755 413 L CB -0.523 41.589 42.059 0.087 0.000 0.904 413 L HN -0.085 nan 8.230 nan 0.000 0.435 414 R N -0.220 120.323 120.500 0.073 0.000 2.075 414 R HA -0.148 4.192 4.340 -0.000 0.000 0.232 414 R C 2.335 178.668 176.300 0.054 0.000 1.126 414 R CA 1.087 57.227 56.100 0.066 0.000 0.963 414 R CB -0.387 29.959 30.300 0.078 0.000 0.858 414 R HN 0.303 nan 8.270 nan 0.000 0.435 415 R N 1.455 121.987 120.500 0.053 0.000 2.083 415 R HA -0.183 4.157 4.340 -0.000 0.000 0.237 415 R C 2.443 178.766 176.300 0.039 0.000 1.137 415 R CA 1.870 57.996 56.100 0.044 0.000 0.951 415 R CB -0.235 30.091 30.300 0.044 0.000 0.851 415 R HN 0.092 nan 8.270 nan 0.000 0.434 416 R N 0.192 120.718 120.500 0.043 0.000 2.096 416 R HA -0.190 4.150 4.340 -0.000 0.000 0.240 416 R C 2.078 178.397 176.300 0.032 0.000 1.139 416 R CA 1.897 58.020 56.100 0.038 0.000 0.952 416 R CB -0.490 29.838 30.300 0.046 0.000 0.854 416 R HN 0.336 nan 8.270 nan 0.000 0.436 417 A N 1.355 124.196 122.820 0.036 0.000 1.841 417 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 417 A C 2.105 179.705 177.584 0.027 0.000 1.199 417 A CA 1.496 53.552 52.037 0.031 0.000 0.621 417 A CB -0.948 18.073 19.000 0.035 0.000 0.835 417 A HN 0.385 nan 8.150 nan 0.000 0.445 418 L N -0.346 120.895 121.223 0.029 0.000 2.103 418 L HA -0.167 4.173 4.340 -0.000 0.000 0.215 418 L C 2.098 178.980 176.870 0.021 0.000 1.080 418 L CA 1.675 56.530 54.840 0.026 0.000 0.764 418 L CB -0.521 41.555 42.059 0.029 0.000 0.890 418 L HN 0.451 nan 8.230 nan 0.000 0.435 419 L N -1.176 120.059 121.223 0.020 0.000 2.591 419 L HA 0.028 4.368 4.340 -0.000 0.000 0.228 419 L C -0.062 176.815 176.870 0.012 0.000 1.133 419 L CA 0.024 54.873 54.840 0.016 0.000 0.880 419 L CB -0.490 41.578 42.059 0.015 0.000 1.033 419 L HN 0.380 nan 8.230 nan 0.000 0.450 420 N N 0.465 119.173 118.700 0.013 0.000 2.621 420 N HA 0.356 5.096 4.740 -0.000 0.000 0.237 420 N C 0.425 175.941 175.510 0.010 0.000 0.997 420 N CA -0.358 52.698 53.050 0.010 0.000 0.918 420 N CB 1.352 39.845 38.487 0.010 0.000 1.122 420 N HN 0.013 nan 8.380 nan 0.000 0.510 421 G N 0.000 108.805 108.800 0.009 0.000 5.446 421 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 421 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 421 G CA 0.000 45.105 45.100 0.008 0.000 0.502 421 G HN 0.000 nan 8.290 nan 0.000 0.925