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 1ura_1_A DATA FIRST_RESID 4 DATA SEQUENCE MPVLENRAAQ GDITAPGGAR RLTGDQTAAL RDSLSDKPAK NIILLIGNGM DATA SEQUENCE GDSEITAARN YAEGAGGFFK GIDALPLTGQ YTHYALNKKT GKPDYVTDSA DATA SEQUENCE ASATAWSTGV KTYNGALGVD IHEKDHPTIL EMAKAAGLAT GNVSTAELQD DATA SEQUENCE ATPAALVAHV TSRKcYGPSA TSEKcPGNAL EKGGKGSITE QLLNARADVT DATA SEQUENCE LGGGAKTFAE TATAGEWQGK TLREQAQARG YQLVSDAASL NSVTEANQQK DATA SEQUENCE PLLGLFADGN MPVRWLGPKA TYHGNIDKPA VTcTPNPQRN DSVPTLAQMT DATA SEQUENCE DKAIELLSKN EKGFFLQVEG ASIDKQDHAA NPcGQIGETV DLDEAVQRAL DATA SEQUENCE EFAKKEGNTL VIVTADHAHA SQIVAPDTKA PGLTQALNTK DGAVMVMSYG DATA SEQUENCE NSEEDSQEHT GSQLRIAAYG PHAANVVGLT DQTDLFYTMK AALGLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 M HA 0.000 nan 4.480 nan 0.000 0.227 4 M C 0.000 176.432 176.300 0.220 0.000 1.140 4 M CA 0.000 55.333 55.300 0.055 0.000 0.988 4 M CB 0.000 32.531 32.600 -0.116 0.000 1.302 5 P HA 0.547 nan 4.420 nan 0.000 0.284 5 P C -0.894 176.539 177.300 0.220 0.000 1.258 5 P CA -0.555 62.645 63.100 0.167 0.000 0.824 5 P CB 1.462 33.213 31.700 0.085 0.000 1.038 6 V N -0.112 119.844 119.914 0.070 0.000 2.713 6 V HA 0.351 4.471 4.120 -0.000 0.000 0.307 6 V C 0.082 176.203 176.094 0.045 0.000 1.052 6 V CA -1.238 61.052 62.300 -0.017 0.000 0.967 6 V CB 1.053 32.753 31.823 -0.204 0.000 1.019 6 V HN 0.194 nan 8.190 nan 0.000 0.459 7 L N 3.455 124.729 121.223 0.085 0.000 2.600 7 L HA 0.227 4.567 4.340 -0.000 0.000 0.278 7 L C 1.566 178.505 176.870 0.116 0.000 1.139 7 L CA 0.697 55.590 54.840 0.089 0.000 0.933 7 L CB -0.903 41.237 42.059 0.136 0.000 1.266 7 L HN 0.864 nan 8.230 nan 0.000 0.471 8 E N 2.042 122.259 120.200 0.029 0.000 2.085 8 E HA -0.135 4.214 4.350 -0.000 0.000 0.194 8 E C 0.609 177.204 176.600 -0.008 0.000 0.994 8 E CA 0.974 57.395 56.400 0.036 0.000 0.801 8 E CB 0.164 29.863 29.700 -0.002 0.000 0.743 8 E HN 0.527 nan 8.360 nan 0.000 0.453 9 N N -0.753 117.784 118.700 -0.272 0.000 2.697 9 N HA 0.061 4.801 4.740 -0.000 0.000 0.271 9 N C -1.070 173.959 175.510 -0.802 0.000 1.149 9 N CA -0.163 52.525 53.050 -0.603 0.000 0.939 9 N CB 0.993 39.334 38.487 -0.242 0.000 1.534 9 N HN -0.114 nan 8.380 nan 0.000 0.556 10 R N 1.182 120.756 120.500 -1.544 0.000 2.652 10 R HA 0.327 4.667 4.340 -0.000 0.000 0.372 10 R C 0.061 176.082 176.300 -0.466 0.000 1.104 10 R CA -0.274 55.351 56.100 -0.792 0.000 1.072 10 R CB 0.622 30.599 30.300 -0.539 0.000 1.367 10 R HN 0.520 nan 8.270 nan 0.000 0.577 11 A N 0.802 123.383 122.820 -0.398 0.000 2.304 11 A HA 0.615 4.935 4.320 -0.000 0.000 0.271 11 A C 0.245 177.774 177.584 -0.091 0.000 1.091 11 A CA -0.328 51.647 52.037 -0.103 0.000 0.812 11 A CB 0.459 19.448 19.000 -0.020 0.000 1.056 11 A HN 0.336 nan 8.150 nan 0.000 0.489 12 A N 0.945 123.738 122.820 -0.045 0.000 2.566 12 A HA 0.206 4.525 4.320 -0.000 0.000 0.245 12 A C 0.985 178.541 177.584 -0.046 0.000 1.056 12 A CA -0.020 51.992 52.037 -0.041 0.000 0.757 12 A CB 0.030 19.014 19.000 -0.026 0.000 0.979 12 A HN 0.784 nan 8.150 nan 0.000 0.508 13 Q N 1.580 121.351 119.800 -0.050 0.000 2.364 13 Q HA 0.035 4.375 4.340 -0.000 0.000 0.207 13 Q C 1.088 177.068 176.000 -0.034 0.000 0.970 13 Q CA 1.367 57.142 55.803 -0.047 0.000 0.888 13 Q CB 0.025 28.733 28.738 -0.048 0.000 0.951 13 Q HN 0.982 nan 8.270 nan 0.000 0.469 14 G N -0.342 108.441 108.800 -0.028 0.000 2.791 14 G HA2 0.049 4.008 3.960 -0.000 0.000 0.158 14 G HA3 0.049 4.008 3.960 -0.000 0.000 0.158 14 G C -1.545 173.343 174.900 -0.020 0.000 1.193 14 G CA -0.501 44.585 45.100 -0.023 0.000 1.032 14 G HN 0.053 nan 8.290 nan 0.000 0.557 15 D N 0.936 121.326 120.400 -0.018 0.000 2.344 15 D HA 0.251 4.891 4.640 -0.000 0.000 0.253 15 D C 1.719 178.010 176.300 -0.016 0.000 1.255 15 D CA -0.326 53.664 54.000 -0.016 0.000 0.894 15 D CB 0.350 41.141 40.800 -0.014 0.000 1.067 15 D HN 0.270 nan 8.370 nan 0.000 0.492 16 I N 2.409 122.969 120.570 -0.016 0.000 2.502 16 I HA -0.285 3.885 4.170 -0.000 0.000 0.258 16 I C 1.832 177.941 176.117 -0.013 0.000 1.172 16 I CA 0.920 62.211 61.300 -0.015 0.000 1.430 16 I CB -0.149 37.842 38.000 -0.016 0.000 1.086 16 I HN 0.395 nan 8.210 nan 0.000 0.440 17 T N 0.336 114.882 114.554 -0.013 0.000 2.978 17 T HA 0.162 4.512 4.350 -0.000 0.000 0.262 17 T C 0.941 175.635 174.700 -0.010 0.000 1.063 17 T CA 0.691 62.784 62.100 -0.011 0.000 1.140 17 T CB -0.059 68.802 68.868 -0.011 0.000 0.886 17 T HN 0.370 nan 8.240 nan 0.000 0.470 18 A N 2.693 125.506 122.820 -0.011 0.000 2.286 18 A HA 0.568 4.888 4.320 -0.000 0.000 0.286 18 A C -2.338 175.240 177.584 -0.011 0.000 1.097 18 A CA -1.794 50.237 52.037 -0.011 0.000 0.821 18 A CB 0.102 19.095 19.000 -0.011 0.000 1.076 18 A HN 0.117 nan 8.150 nan 0.000 0.490 19 P HA 0.153 nan 4.420 nan 0.000 0.264 19 P C 0.855 178.149 177.300 -0.011 0.000 1.193 19 P CA 1.551 64.645 63.100 -0.010 0.000 0.763 19 P CB 0.673 32.368 31.700 -0.008 0.000 0.810 20 G N 2.921 111.714 108.800 -0.012 0.000 2.212 20 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.266 20 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.266 20 G C 1.141 176.031 174.900 -0.017 0.000 0.978 20 G CA 0.364 45.456 45.100 -0.015 0.000 0.632 20 G HN 0.752 nan 8.290 nan 0.000 0.537 21 G N 0.245 109.035 108.800 -0.016 0.000 2.484 21 G HA2 0.328 4.288 3.960 -0.000 0.000 0.218 21 G HA3 0.328 4.288 3.960 -0.000 0.000 0.218 21 G C 1.665 176.553 174.900 -0.020 0.000 1.130 21 G CA 1.931 47.020 45.100 -0.018 0.000 0.784 21 G HN 1.551 nan 8.290 nan 0.000 0.543 22 A N 0.079 122.888 122.820 -0.018 0.000 2.218 22 A HA 0.326 4.646 4.320 -0.000 0.000 0.209 22 A C 1.419 178.990 177.584 -0.022 0.000 1.168 22 A CA -0.392 51.634 52.037 -0.018 0.000 0.804 22 A CB -0.020 18.972 19.000 -0.014 0.000 0.834 22 A HN 0.263 nan 8.150 nan 0.000 0.482 23 R N 0.020 120.505 120.500 -0.024 0.000 2.638 23 R HA 0.095 4.435 4.340 -0.000 0.000 0.268 23 R C 0.454 176.728 176.300 -0.043 0.000 1.006 23 R CA 0.255 56.337 56.100 -0.029 0.000 1.088 23 R CB 0.329 30.612 30.300 -0.029 0.000 0.950 23 R HN 0.399 nan 8.270 nan 0.000 0.419 24 R N 1.470 121.941 120.500 -0.048 0.000 2.307 24 R HA 0.224 4.564 4.340 -0.000 0.000 0.200 24 R C 0.221 176.467 176.300 -0.090 0.000 0.893 24 R CA 0.186 56.239 56.100 -0.077 0.000 1.042 24 R CB 0.406 30.667 30.300 -0.065 0.000 1.059 24 R HN 0.371 nan 8.270 nan 0.000 0.530 25 L N 0.715 121.902 121.223 -0.060 0.000 2.322 25 L HA 0.288 4.628 4.340 -0.000 0.000 0.279 25 L C 1.122 177.963 176.870 -0.048 0.000 1.036 25 L CA -0.296 54.511 54.840 -0.055 0.000 0.807 25 L CB 1.920 43.958 42.059 -0.036 0.000 1.226 25 L HN 0.072 nan 8.230 nan 0.000 0.433 26 T N -2.535 111.991 114.554 -0.048 0.000 3.010 26 T HA 0.455 4.804 4.350 -0.000 0.000 0.257 26 T C 0.489 175.171 174.700 -0.029 0.000 1.020 26 T CA 0.179 62.255 62.100 -0.039 0.000 0.938 26 T CB 0.680 69.522 68.868 -0.044 0.000 1.049 26 T HN 0.784 nan 8.240 nan 0.000 0.522 27 G N 0.513 109.297 108.800 -0.027 0.000 2.427 27 G HA2 0.415 4.375 3.960 -0.000 0.000 0.306 27 G HA3 0.415 4.375 3.960 -0.000 0.000 0.306 27 G C -2.169 172.720 174.900 -0.017 0.000 1.280 27 G CA -0.783 44.305 45.100 -0.020 0.000 0.837 27 G HN 0.177 nan 8.290 nan 0.000 0.482 28 D N -0.171 120.221 120.400 -0.013 0.000 2.348 28 D HA 0.361 5.000 4.640 -0.000 0.000 0.253 28 D C 1.132 177.427 176.300 -0.009 0.000 1.161 28 D CA -0.096 53.898 54.000 -0.010 0.000 0.876 28 D CB 0.982 41.778 40.800 -0.008 0.000 1.160 28 D HN 0.184 nan 8.370 nan 0.000 0.459 29 Q N 2.365 122.160 119.800 -0.008 0.000 2.403 29 Q HA -0.009 4.331 4.340 -0.000 0.000 0.203 29 Q C 1.517 177.517 176.000 -0.001 0.000 0.932 29 Q CA 0.225 56.026 55.803 -0.004 0.000 0.945 29 Q CB 0.195 28.932 28.738 -0.001 0.000 1.045 29 Q HN 0.606 nan 8.270 nan 0.000 0.511 30 T N 1.563 116.116 114.554 -0.002 0.000 2.592 30 T HA -0.273 4.077 4.350 -0.000 0.000 0.267 30 T C 1.889 176.588 174.700 -0.002 0.000 1.060 30 T CA 2.087 64.186 62.100 -0.002 0.000 1.167 30 T CB -0.253 68.614 68.868 -0.003 0.000 0.863 30 T HN 0.473 nan 8.240 nan 0.000 0.431 31 A N 1.582 124.400 122.820 -0.003 0.000 1.883 31 A HA 0.075 4.395 4.320 -0.000 0.000 0.217 31 A C 2.721 180.304 177.584 -0.001 0.000 1.186 31 A CA 2.231 54.266 52.037 -0.003 0.000 0.624 31 A CB -1.330 17.668 19.000 -0.004 0.000 0.822 31 A HN 0.567 nan 8.150 nan 0.000 0.444 32 A N -0.364 122.458 122.820 0.003 0.000 1.892 32 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 32 A C 2.212 179.803 177.584 0.012 0.000 1.188 32 A CA 1.678 53.721 52.037 0.010 0.000 0.631 32 A CB -0.657 18.350 19.000 0.012 0.000 0.822 32 A HN 0.492 nan 8.150 nan 0.000 0.447 33 L N -1.400 119.828 121.223 0.008 0.000 2.093 33 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 33 L C 2.925 179.791 176.870 -0.007 0.000 1.085 33 L CA 1.402 56.245 54.840 0.005 0.000 0.755 33 L CB -0.489 41.573 42.059 0.004 0.000 0.904 33 L HN 0.417 nan 8.230 nan 0.000 0.435 34 R N 0.002 120.497 120.500 -0.009 0.000 2.083 34 R HA -0.175 4.165 4.340 -0.000 0.000 0.237 34 R C 1.689 177.976 176.300 -0.022 0.000 1.137 34 R CA 1.615 57.706 56.100 -0.016 0.000 0.951 34 R CB -0.337 29.955 30.300 -0.013 0.000 0.851 34 R HN 0.367 nan 8.270 nan 0.000 0.434 35 D N -0.175 120.216 120.400 -0.015 0.000 2.350 35 D HA -0.046 4.594 4.640 -0.000 0.000 0.216 35 D C 1.156 177.439 176.300 -0.028 0.000 0.968 35 D CA 0.912 54.902 54.000 -0.017 0.000 0.894 35 D CB 0.131 40.930 40.800 -0.003 0.000 0.909 35 D HN 0.097 nan 8.370 nan 0.000 0.520 36 S N -0.153 115.530 115.700 -0.028 0.000 2.548 36 S HA 0.064 4.534 4.470 -0.000 0.000 0.215 36 S C 0.515 175.063 174.600 -0.087 0.000 0.976 36 S CA -0.284 57.886 58.200 -0.050 0.000 0.908 36 S CB 0.658 63.853 63.200 -0.009 0.000 0.781 36 S HN 0.048 nan 8.310 nan 0.000 0.519 37 L N 2.030 123.210 121.223 -0.072 0.000 2.264 37 L HA 0.580 4.920 4.340 -0.000 0.000 0.289 37 L C 0.092 176.901 176.870 -0.103 0.000 1.044 37 L CA -0.071 54.718 54.840 -0.085 0.000 0.807 37 L CB 0.985 43.006 42.059 -0.063 0.000 1.192 37 L HN -0.039 nan 8.230 nan 0.000 0.425 38 S N 1.138 116.755 115.700 -0.137 0.000 2.566 38 S HA 0.453 4.923 4.470 -0.000 0.000 0.273 38 S C -0.272 174.183 174.600 -0.242 0.000 1.157 38 S CA -0.670 57.440 58.200 -0.150 0.000 0.938 38 S CB 1.037 64.160 63.200 -0.128 0.000 1.087 38 S HN 0.675 nan 8.310 nan 0.000 0.474 39 D N 2.496 122.745 120.400 -0.252 0.000 2.369 39 D HA 0.111 4.751 4.640 -0.000 0.000 0.211 39 D C 0.548 176.696 176.300 -0.253 0.000 1.077 39 D CA -0.209 53.531 54.000 -0.433 0.000 0.842 39 D CB -0.132 40.505 40.800 -0.270 0.000 0.947 39 D HN 0.666 nan 8.370 nan 0.000 0.509 40 K N 0.435 120.774 120.400 -0.103 0.000 2.336 40 K HA 0.248 4.567 4.320 -0.000 0.000 0.262 40 K C -2.467 174.217 176.600 0.140 0.000 0.992 40 K CA -1.289 55.005 56.287 0.013 0.000 0.927 40 K CB -0.119 32.374 32.500 -0.013 0.000 0.956 40 K HN -0.182 nan 8.250 nan 0.000 0.495 41 P HA -0.014 nan 4.420 nan 0.000 0.269 41 P C -1.215 176.110 177.300 0.042 0.000 1.209 41 P CA -0.053 63.101 63.100 0.089 0.000 0.776 41 P CB 0.935 32.652 31.700 0.028 0.000 0.876 42 A N 2.875 125.689 122.820 -0.010 0.000 2.290 42 A HA 0.267 4.587 4.320 -0.000 0.000 0.310 42 A C 1.204 178.748 177.584 -0.066 0.000 1.202 42 A CA -0.413 51.602 52.037 -0.037 0.000 0.837 42 A CB 0.341 19.309 19.000 -0.054 0.000 1.139 42 A HN 0.579 nan 8.150 nan 0.000 0.509 43 K N 1.819 122.177 120.400 -0.070 0.000 2.186 43 K HA 0.012 4.332 4.320 -0.000 0.000 0.202 43 K C 0.047 176.558 176.600 -0.148 0.000 1.052 43 K CA 0.911 57.153 56.287 -0.075 0.000 0.965 43 K CB 0.019 32.492 32.500 -0.045 0.000 0.746 43 K HN 0.822 nan 8.250 nan 0.000 0.457 44 N N -0.047 118.514 118.700 -0.231 0.000 2.405 44 N HA 0.373 5.113 4.740 -0.000 0.000 0.285 44 N C -1.150 174.177 175.510 -0.305 0.000 1.262 44 N CA -0.561 52.199 53.050 -0.482 0.000 0.773 44 N CB 2.089 39.978 38.487 -0.996 0.000 1.490 44 N HN -0.059 nan 8.380 nan 0.000 0.486 45 I N 1.383 121.768 120.570 -0.308 0.000 2.571 45 I HA 0.417 4.586 4.170 -0.000 0.000 0.289 45 I C -0.929 175.081 176.117 -0.180 0.000 1.115 45 I CA -0.503 60.720 61.300 -0.127 0.000 1.045 45 I CB 2.257 40.288 38.000 0.052 0.000 1.238 45 I HN 0.286 nan 8.210 nan 0.000 0.424 46 I N 6.785 127.290 120.570 -0.108 0.000 2.410 46 I HA 0.394 4.564 4.170 -0.000 0.000 0.286 46 I C -0.765 175.268 176.117 -0.140 0.000 1.009 46 I CA -0.528 60.706 61.300 -0.108 0.000 1.111 46 I CB 2.109 40.121 38.000 0.019 0.000 1.262 46 I HN 0.338 nan 8.210 nan 0.000 0.443 47 L N 7.100 128.186 121.223 -0.228 0.000 2.276 47 L HA 0.470 4.810 4.340 -0.000 0.000 0.286 47 L C -1.087 175.666 176.870 -0.195 0.000 1.024 47 L CA -0.792 53.928 54.840 -0.201 0.000 0.826 47 L CB 1.075 43.014 42.059 -0.200 0.000 1.211 47 L HN 0.427 nan 8.230 nan 0.000 0.422 48 L N 6.285 127.400 121.223 -0.180 0.000 2.264 48 L HA 0.446 4.786 4.340 -0.000 0.000 0.289 48 L C 0.009 176.755 176.870 -0.206 0.000 1.044 48 L CA -0.333 54.406 54.840 -0.168 0.000 0.807 48 L CB 1.451 43.422 42.059 -0.146 0.000 1.192 48 L HN 0.450 nan 8.230 nan 0.000 0.425 49 I N 2.854 123.313 120.570 -0.186 0.000 2.362 49 I HA 0.334 4.503 4.170 -0.000 0.000 0.289 49 I C 0.785 176.821 176.117 -0.135 0.000 0.994 49 I CA -0.287 60.894 61.300 -0.199 0.000 1.158 49 I CB 1.707 39.598 38.000 -0.181 0.000 1.315 49 I HN 0.576 nan 8.210 nan 0.000 0.451 50 G N 5.728 114.438 108.800 -0.149 0.000 2.475 50 G HA2 0.082 4.042 3.960 -0.000 0.000 0.322 50 G HA3 0.082 4.042 3.960 -0.000 0.000 0.322 50 G C 0.155 174.979 174.900 -0.126 0.000 1.044 50 G CA -0.444 44.577 45.100 -0.133 0.000 1.047 50 G HN 0.628 nan 8.290 nan 0.000 0.436 51 N N 1.792 120.438 118.700 -0.091 0.000 2.434 51 N HA 0.159 4.899 4.740 -0.000 0.000 0.268 51 N C 1.453 176.872 175.510 -0.152 0.000 1.256 51 N CA 1.452 54.436 53.050 -0.110 0.000 0.914 51 N CB 0.749 39.234 38.487 -0.004 0.000 1.088 51 N HN 0.897 nan 8.380 nan 0.000 0.478 52 G N 3.745 112.319 108.800 -0.376 0.000 2.162 52 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.260 52 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.260 52 G C 0.468 175.328 174.900 -0.067 0.000 0.976 52 G CA 0.288 45.250 45.100 -0.231 0.000 0.655 52 G HN 0.634 nan 8.290 nan 0.000 0.533 53 M N 2.164 121.698 119.600 -0.110 0.000 3.237 53 M HA 0.457 4.937 4.480 -0.000 0.000 0.266 53 M C 1.099 177.377 176.300 -0.037 0.000 1.456 53 M CA 0.546 55.806 55.300 -0.067 0.000 1.593 53 M CB -0.675 31.866 32.600 -0.098 0.000 1.129 53 M HN 0.277 nan 8.290 nan 0.000 0.547 54 G N 2.016 110.822 108.800 0.011 0.000 2.563 54 G HA2 0.112 4.072 3.960 -0.000 0.000 0.283 54 G HA3 0.112 4.072 3.960 -0.000 0.000 0.283 54 G C -0.076 174.852 174.900 0.047 0.000 1.309 54 G CA -0.436 44.692 45.100 0.047 0.000 1.022 54 G HN 0.700 nan 8.290 nan 0.000 0.501 55 D N -0.675 119.763 120.400 0.063 0.000 2.149 55 D HA -0.096 4.544 4.640 -0.000 0.000 0.198 55 D C 2.703 179.037 176.300 0.057 0.000 0.990 55 D CA 1.713 55.748 54.000 0.058 0.000 0.839 55 D CB 0.176 41.014 40.800 0.063 0.000 0.948 55 D HN 0.235 nan 8.370 nan 0.000 0.460 56 S N 0.350 116.083 115.700 0.054 0.000 2.356 56 S HA -0.178 4.292 4.470 -0.000 0.000 0.223 56 S C 1.803 176.426 174.600 0.040 0.000 1.032 56 S CA 1.039 59.264 58.200 0.041 0.000 1.005 56 S CB -0.235 62.982 63.200 0.029 0.000 0.867 56 S HN 0.229 nan 8.310 nan 0.000 0.449 57 E N 1.271 121.494 120.200 0.039 0.000 2.085 57 E HA -0.061 4.288 4.350 -0.000 0.000 0.194 57 E C 1.925 178.563 176.600 0.062 0.000 0.994 57 E CA 0.884 57.304 56.400 0.033 0.000 0.801 57 E CB -0.387 29.320 29.700 0.012 0.000 0.743 57 E HN 0.507 nan 8.360 nan 0.000 0.453 58 I N 0.465 121.077 120.570 0.071 0.000 2.179 58 I HA -0.278 3.891 4.170 -0.000 0.000 0.242 58 I C 2.043 178.275 176.117 0.192 0.000 1.088 58 I CA 1.487 62.869 61.300 0.137 0.000 1.357 58 I CB -0.567 37.497 38.000 0.107 0.000 1.051 58 I HN 0.131 nan 8.210 nan 0.000 0.409 59 T N 0.880 115.503 114.554 0.115 0.000 2.746 59 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 59 T C 2.090 176.842 174.700 0.087 0.000 1.039 59 T CA 1.382 63.534 62.100 0.086 0.000 1.142 59 T CB -0.373 68.530 68.868 0.058 0.000 0.866 59 T HN 0.468 nan 8.240 nan 0.000 0.444 60 A N 1.624 124.497 122.820 0.089 0.000 1.877 60 A HA 0.158 4.477 4.320 -0.000 0.000 0.216 60 A C 2.682 180.360 177.584 0.156 0.000 1.186 60 A CA 1.848 53.943 52.037 0.096 0.000 0.620 60 A CB -1.188 17.849 19.000 0.062 0.000 0.822 60 A HN 0.513 nan 8.150 nan 0.000 0.443 61 A N -0.523 122.411 122.820 0.191 0.000 1.902 61 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 61 A C 2.275 180.038 177.584 0.299 0.000 1.181 61 A CA 1.726 53.943 52.037 0.299 0.000 0.623 61 A CB -0.492 18.709 19.000 0.335 0.000 0.818 61 A HN 0.552 nan 8.150 nan 0.000 0.443 62 R N -0.375 120.191 120.500 0.111 0.000 2.066 62 R HA -0.155 4.184 4.340 -0.000 0.000 0.232 62 R C 1.881 178.097 176.300 -0.139 0.000 1.131 62 R CA 1.659 57.543 56.100 -0.360 0.000 0.955 62 R CB -0.354 29.744 30.300 -0.337 0.000 0.851 62 R HN 0.504 nan 8.270 nan 0.000 0.432 63 N N 0.036 118.733 118.700 -0.006 0.000 2.061 63 N HA -0.240 4.500 4.740 -0.000 0.000 0.193 63 N C 1.489 177.034 175.510 0.058 0.000 1.030 63 N CA 1.574 54.638 53.050 0.023 0.000 0.856 63 N CB -0.638 37.884 38.487 0.058 0.000 1.023 63 N HN 0.323 nan 8.380 nan 0.000 0.424 64 Y N 0.845 121.167 120.300 0.036 0.000 2.130 64 Y HA -0.002 4.548 4.550 -0.000 0.000 0.287 64 Y C 2.275 178.225 175.900 0.084 0.000 1.124 64 Y CA 1.909 60.053 58.100 0.074 0.000 1.118 64 Y CB -0.504 38.040 38.460 0.141 0.000 0.994 64 Y HN 0.068 nan 8.280 nan 0.000 0.497 65 A N -0.316 122.698 122.820 0.323 0.000 1.930 65 A HA -0.048 4.271 4.320 -0.000 0.000 0.215 65 A C 1.811 179.414 177.584 0.031 0.000 1.176 65 A CA 1.703 53.895 52.037 0.258 0.000 0.632 65 A CB -0.263 19.007 19.000 0.450 0.000 0.819 65 A HN 0.532 nan 8.150 nan 0.000 0.445 66 E N -1.236 118.905 120.200 -0.099 0.000 2.511 66 E HA 0.334 4.684 4.350 -0.000 0.000 0.209 66 E C 0.712 177.246 176.600 -0.110 0.000 0.986 66 E CA 0.594 56.909 56.400 -0.141 0.000 0.974 66 E CB 0.462 29.983 29.700 -0.298 0.000 1.030 66 E HN 0.712 nan 8.360 nan 0.000 0.490 67 G N 1.176 109.916 108.800 -0.100 0.000 2.705 67 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.686 67 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.686 67 G C 0.807 175.668 174.900 -0.066 0.000 1.285 67 G CA -0.180 44.875 45.100 -0.075 0.000 0.800 67 G HN 0.196 nan 8.290 nan 0.000 0.611 68 A N 0.363 123.158 122.820 -0.042 0.000 1.917 68 A HA 0.197 4.516 4.320 -0.000 0.000 0.219 68 A C 2.676 180.244 177.584 -0.026 0.000 1.182 68 A CA 2.736 54.756 52.037 -0.028 0.000 0.633 68 A CB -0.634 18.357 19.000 -0.015 0.000 0.819 68 A HN 2.429 nan 8.150 nan 0.000 0.448 69 G N -0.918 107.867 108.800 -0.025 0.000 3.088 69 G HA2 0.407 4.367 3.960 -0.000 0.000 0.212 69 G HA3 0.407 4.367 3.960 -0.000 0.000 0.212 69 G C 0.745 175.640 174.900 -0.009 0.000 1.173 69 G CA 0.578 45.668 45.100 -0.016 0.000 0.779 69 G HN 0.749 nan 8.290 nan 0.000 0.540 70 G N -0.351 108.432 108.800 -0.028 0.000 2.583 70 G HA2 0.415 4.375 3.960 -0.000 0.000 0.275 70 G HA3 0.415 4.375 3.960 -0.000 0.000 0.275 70 G C -1.008 173.928 174.900 0.060 0.000 1.342 70 G CA -0.484 44.603 45.100 -0.022 0.000 1.030 70 G HN 0.326 nan 8.290 nan 0.000 0.520 71 F N -1.138 118.714 119.950 -0.162 0.000 2.623 71 F HA 0.521 5.047 4.527 -0.000 0.000 0.323 71 F C -1.740 174.015 175.800 -0.076 0.000 1.158 71 F CA -1.799 56.136 58.000 -0.108 0.000 1.030 71 F CB 1.213 40.190 39.000 -0.039 0.000 1.280 71 F HN 0.269 nan 8.300 nan 0.000 0.474 72 F N 6.395 126.027 119.950 -0.530 0.000 2.438 72 F HA 0.339 4.866 4.527 -0.000 0.000 0.360 72 F C 1.434 176.657 175.800 -0.962 0.000 1.118 72 F CA -0.253 57.435 58.000 -0.520 0.000 1.164 72 F CB 1.150 39.961 39.000 -0.315 0.000 1.131 72 F HN 0.552 nan 8.300 nan 0.000 0.527 73 K N 1.899 122.023 120.400 -0.460 0.000 2.360 73 K HA -0.102 4.217 4.320 -0.000 0.000 0.201 73 K C 1.829 178.267 176.600 -0.269 0.000 1.046 73 K CA 1.055 57.097 56.287 -0.408 0.000 0.940 73 K CB 0.037 32.485 32.500 -0.087 0.000 0.748 73 K HN 0.859 nan 8.250 nan 0.000 0.465 74 G N 0.888 109.552 108.800 -0.227 0.000 2.764 74 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.218 74 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.218 74 G C 1.365 176.155 174.900 -0.183 0.000 1.304 74 G CA -0.260 44.730 45.100 -0.183 0.000 0.847 74 G HN 0.013 nan 8.290 nan 0.000 0.610 75 I N 1.656 122.098 120.570 -0.214 0.000 2.151 75 I HA -0.181 3.989 4.170 -0.000 0.000 0.243 75 I C 1.638 177.714 176.117 -0.069 0.000 1.080 75 I CA 1.461 62.659 61.300 -0.170 0.000 1.339 75 I CB -0.067 37.770 38.000 -0.271 0.000 1.039 75 I HN 0.100 nan 8.210 nan 0.000 0.409 76 D N 0.530 120.889 120.400 -0.069 0.000 2.340 76 D HA 0.085 4.725 4.640 -0.000 0.000 0.220 76 D C 1.927 178.316 176.300 0.149 0.000 1.039 76 D CA 0.673 54.695 54.000 0.036 0.000 0.866 76 D CB 0.268 41.108 40.800 0.067 0.000 0.913 76 D HN 0.321 nan 8.370 nan 0.000 0.523 77 A N 0.264 123.095 122.820 0.018 0.000 2.123 77 A HA 0.058 4.378 4.320 -0.000 0.000 0.214 77 A C 1.085 178.733 177.584 0.106 0.000 1.152 77 A CA 0.007 52.141 52.037 0.163 0.000 0.728 77 A CB -0.285 18.750 19.000 0.058 0.000 0.814 77 A HN 0.143 nan 8.150 nan 0.000 0.464 78 L N 1.378 122.638 121.223 0.062 0.000 2.477 78 L HA 0.119 4.459 4.340 -0.000 0.000 0.272 78 L C -0.908 176.026 176.870 0.106 0.000 1.157 78 L CA -1.090 53.798 54.840 0.081 0.000 0.889 78 L CB 0.441 42.530 42.059 0.051 0.000 1.158 78 L HN 0.187 nan 8.230 nan 0.000 0.473 79 P HA -0.123 nan 4.420 nan 0.000 0.217 79 P C 0.255 177.599 177.300 0.073 0.000 1.151 79 P CA 1.065 64.231 63.100 0.109 0.000 0.828 79 P CB 0.391 32.171 31.700 0.133 0.000 0.788 80 L N 1.066 122.329 121.223 0.067 0.000 2.257 80 L HA 0.330 4.670 4.340 -0.000 0.000 0.290 80 L C 0.631 177.515 176.870 0.024 0.000 1.044 80 L CA -0.419 54.443 54.840 0.036 0.000 0.810 80 L CB 1.263 43.334 42.059 0.020 0.000 1.193 80 L HN -0.003 nan 8.230 nan 0.000 0.425 81 T N -0.259 114.307 114.554 0.020 0.000 2.924 81 T HA 0.946 5.296 4.350 -0.000 0.000 0.291 81 T C -0.092 174.613 174.700 0.008 0.000 1.045 81 T CA -0.639 61.467 62.100 0.009 0.000 1.015 81 T CB 2.551 71.431 68.868 0.020 0.000 1.103 81 T HN 0.705 nan 8.240 nan 0.000 0.496 82 G N 0.069 108.867 108.800 -0.003 0.000 2.554 82 G HA2 0.566 4.526 3.960 -0.000 0.000 0.306 82 G HA3 0.566 4.526 3.960 -0.000 0.000 0.306 82 G C -2.287 172.624 174.900 0.019 0.000 1.320 82 G CA -0.943 44.166 45.100 0.015 0.000 0.800 82 G HN 0.745 nan 8.290 nan 0.000 0.481 83 Q N -0.419 119.419 119.800 0.064 0.000 2.337 83 Q HA 0.617 4.956 4.340 -0.000 0.000 0.270 83 Q C -1.344 174.788 176.000 0.220 0.000 1.043 83 Q CA -0.802 55.070 55.803 0.115 0.000 0.794 83 Q CB 2.504 31.309 28.738 0.111 0.000 1.281 83 Q HN 0.739 nan 8.270 nan 0.000 0.446 84 Y N -1.202 119.154 120.300 0.093 0.000 2.499 84 Y HA 0.822 5.372 4.550 -0.001 0.000 0.347 84 Y C -0.536 175.429 175.900 0.108 0.000 0.987 84 Y CA -1.926 56.236 58.100 0.103 0.000 1.044 84 Y CB 0.518 39.042 38.460 0.108 0.000 1.245 84 Y HN 0.569 nan 8.280 nan 0.000 0.461 85 T N 0.245 114.832 114.554 0.055 0.000 2.909 85 T HA 0.452 4.802 4.350 -0.000 0.000 0.289 85 T C -0.529 173.970 174.700 -0.334 0.000 1.005 85 T CA -0.175 61.851 62.100 -0.124 0.000 1.084 85 T CB 0.527 69.444 68.868 0.081 0.000 0.975 85 T HN 0.963 nan 8.240 nan 0.000 0.509 86 H N -0.854 118.154 119.070 -0.103 0.000 2.750 86 H HA 0.319 4.874 4.556 -0.001 0.000 0.239 86 H C -0.460 174.810 175.328 -0.097 0.000 1.210 86 H CA -1.252 54.674 56.048 -0.203 0.000 0.936 86 H CB -1.403 28.282 29.762 -0.129 0.000 2.074 86 H HN 0.725 nan 8.280 nan 0.000 0.622 87 Y N 0.347 120.613 120.300 -0.057 0.000 2.457 87 Y HA 0.614 5.164 4.550 -0.001 0.000 0.341 87 Y C 0.374 176.261 175.900 -0.022 0.000 1.240 87 Y CA -0.776 57.317 58.100 -0.013 0.000 1.437 87 Y CB 0.493 38.922 38.460 -0.052 0.000 1.328 87 Y HN 0.336 nan 8.280 nan 0.000 0.588 88 A N 3.607 126.484 122.820 0.096 0.000 2.580 88 A HA 0.837 5.157 4.320 -0.000 0.000 0.275 88 A C -0.968 176.651 177.584 0.058 0.000 1.321 88 A CA -1.119 50.924 52.037 0.011 0.000 0.924 88 A CB 0.648 19.655 19.000 0.011 0.000 1.512 88 A HN 0.820 nan 8.150 nan 0.000 0.492 89 L N 0.384 121.623 121.223 0.026 0.000 2.354 89 L HA 0.381 4.721 4.340 -0.000 0.000 0.264 89 L C -0.258 176.629 176.870 0.029 0.000 1.008 89 L CA -0.913 53.942 54.840 0.025 0.000 0.819 89 L CB 1.770 43.842 42.059 0.023 0.000 1.339 89 L HN 0.775 nan 8.230 nan 0.000 0.420 90 N N 2.015 120.710 118.700 -0.009 0.000 2.444 90 N HA 0.045 4.784 4.740 -0.000 0.000 0.271 90 N C 0.535 176.029 175.510 -0.027 0.000 1.069 90 N CA 0.080 53.122 53.050 -0.013 0.000 0.965 90 N CB 1.638 40.104 38.487 -0.036 0.000 1.092 90 N HN 0.644 nan 8.380 nan 0.000 0.476 91 K N 3.438 123.804 120.400 -0.056 0.000 2.044 91 K HA -0.162 4.158 4.320 -0.000 0.000 0.210 91 K C 1.174 177.688 176.600 -0.142 0.000 1.049 91 K CA 1.318 57.499 56.287 -0.177 0.000 0.927 91 K CB 0.230 32.458 32.500 -0.453 0.000 0.713 91 K HN 0.450 nan 8.250 nan 0.000 0.443 92 K N -0.192 120.145 120.400 -0.105 0.000 1.991 92 K HA -0.081 4.239 4.320 -0.000 0.000 0.207 92 K C 2.398 178.973 176.600 -0.041 0.000 1.045 92 K CA 2.073 58.318 56.287 -0.070 0.000 0.937 92 K CB -0.916 31.550 32.500 -0.057 0.000 0.720 92 K HN 0.446 nan 8.250 nan 0.000 0.438 93 T N -2.518 112.015 114.554 -0.034 0.000 2.942 93 T HA 0.077 4.426 4.350 -0.000 0.000 0.265 93 T C 1.609 176.299 174.700 -0.017 0.000 1.062 93 T CA 1.430 63.519 62.100 -0.020 0.000 1.139 93 T CB -0.148 68.709 68.868 -0.018 0.000 0.883 93 T HN 0.406 nan 8.240 nan 0.000 0.468 94 G N 1.372 110.156 108.800 -0.027 0.000 2.176 94 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.253 94 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.253 94 G C 0.094 174.984 174.900 -0.017 0.000 0.979 94 G CA 0.266 45.353 45.100 -0.022 0.000 0.641 94 G HN 0.708 nan 8.290 nan 0.000 0.530 95 K N 0.894 121.276 120.400 -0.030 0.000 2.138 95 K HA 0.445 4.764 4.320 -0.000 0.000 0.251 95 K C -2.379 174.162 176.600 -0.098 0.000 1.015 95 K CA -1.708 54.548 56.287 -0.051 0.000 0.917 95 K CB 0.508 32.981 32.500 -0.046 0.000 1.021 95 K HN 0.023 nan 8.250 nan 0.000 0.485 96 P HA -0.032 nan 4.420 nan 0.000 0.268 96 P C -1.113 175.872 177.300 -0.526 0.000 1.205 96 P CA 0.172 63.072 63.100 -0.334 0.000 0.771 96 P CB 0.466 31.797 31.700 -0.615 0.000 0.858 97 D N 1.896 122.087 120.400 -0.347 0.000 2.461 97 D HA 0.126 4.766 4.640 -0.000 0.000 0.240 97 D C 0.340 176.507 176.300 -0.222 0.000 1.094 97 D CA -0.491 53.352 54.000 -0.261 0.000 0.868 97 D CB 0.406 41.167 40.800 -0.065 0.000 1.062 97 D HN 0.248 nan 8.370 nan 0.000 0.530 98 Y N 1.486 121.832 120.300 0.076 0.000 2.315 98 Y HA -0.075 4.475 4.550 -0.000 0.000 0.288 98 Y C 1.135 177.111 175.900 0.127 0.000 1.154 98 Y CA 0.525 58.678 58.100 0.088 0.000 1.229 98 Y CB 0.018 38.498 38.460 0.033 0.000 0.980 98 Y HN 0.148 nan 8.280 nan 0.000 0.540 99 V N 0.432 120.467 119.914 0.203 0.000 2.350 99 V HA 0.238 4.358 4.120 -0.000 0.000 0.285 99 V C 0.247 176.414 176.094 0.121 0.000 1.014 99 V CA -0.939 61.468 62.300 0.178 0.000 0.831 99 V CB 1.254 33.156 31.823 0.131 0.000 1.000 99 V HN 0.067 nan 8.190 nan 0.000 0.433 100 T N 3.271 117.921 114.554 0.160 0.000 2.847 100 T HA 0.400 4.750 4.350 -0.000 0.000 0.279 100 T C -0.349 174.393 174.700 0.071 0.000 0.984 100 T CA -0.444 61.720 62.100 0.107 0.000 0.988 100 T CB 1.149 70.105 68.868 0.147 0.000 1.040 100 T HN 0.929 nan 8.240 nan 0.000 0.528 101 D N 0.234 120.672 120.400 0.064 0.000 2.592 101 D HA 0.382 5.022 4.640 -0.000 0.000 0.259 101 D C 0.994 177.395 176.300 0.168 0.000 1.144 101 D CA -0.604 53.461 54.000 0.109 0.000 1.080 101 D CB 0.638 41.463 40.800 0.042 0.000 1.225 101 D HN 0.394 nan 8.370 nan 0.000 0.619 102 S N -0.632 115.203 115.700 0.226 0.000 2.383 102 S HA -0.042 4.427 4.470 -0.000 0.000 0.227 102 S C 1.923 176.524 174.600 0.001 0.000 1.026 102 S CA 1.219 59.525 58.200 0.176 0.000 0.981 102 S CB -0.557 62.756 63.200 0.188 0.000 0.818 102 S HN 0.645 nan 8.310 nan 0.000 0.472 103 A N 2.005 124.808 122.820 -0.029 0.000 1.851 103 A HA 0.000 4.320 4.320 -0.000 0.000 0.216 103 A C 2.414 179.876 177.584 -0.204 0.000 1.195 103 A CA 1.939 53.900 52.037 -0.126 0.000 0.622 103 A CB -1.388 17.542 19.000 -0.117 0.000 0.831 103 A HN 0.528 nan 8.150 nan 0.000 0.444 104 A N 0.100 122.817 122.820 -0.171 0.000 1.908 104 A HA -0.131 4.188 4.320 -0.000 0.000 0.218 104 A C 2.532 179.996 177.584 -0.200 0.000 1.181 104 A CA 2.729 54.650 52.037 -0.195 0.000 0.627 104 A CB -1.079 17.842 19.000 -0.132 0.000 0.818 104 A HN 1.029 nan 8.150 nan 0.000 0.445 105 S N 0.160 115.778 115.700 -0.138 0.000 2.368 105 S HA 0.069 4.539 4.470 -0.000 0.000 0.224 105 S C 2.132 176.458 174.600 -0.458 0.000 1.029 105 S CA 1.261 59.390 58.200 -0.117 0.000 0.988 105 S CB -0.748 62.506 63.200 0.089 0.000 0.838 105 S HN 0.897 nan 8.310 nan 0.000 0.462 106 A N 1.852 124.214 122.820 -0.763 0.000 1.902 106 A HA -0.024 4.295 4.320 -0.000 0.000 0.217 106 A C 2.415 179.307 177.584 -1.154 0.000 1.181 106 A CA 2.027 53.099 52.037 -1.607 0.000 0.623 106 A CB -1.667 16.804 19.000 -0.882 0.000 0.818 106 A HN 0.537 nan 8.150 nan 0.000 0.443 107 T N 0.301 114.485 114.554 -0.618 0.000 2.788 107 T HA -0.042 4.307 4.350 -0.000 0.000 0.268 107 T C 2.196 176.658 174.700 -0.397 0.000 1.044 107 T CA 1.530 63.367 62.100 -0.437 0.000 1.139 107 T CB -0.436 68.239 68.868 -0.322 0.000 0.867 107 T HN 0.606 nan 8.240 nan 0.000 0.454 108 A N 1.437 124.049 122.820 -0.347 0.000 1.883 108 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 108 A C 2.145 179.693 177.584 -0.060 0.000 1.186 108 A CA 1.951 53.867 52.037 -0.201 0.000 0.624 108 A CB -1.072 17.846 19.000 -0.137 0.000 0.822 108 A HN 0.865 nan 8.150 nan 0.000 0.444 109 W N 0.908 122.216 121.300 0.013 0.000 2.658 109 W HA 0.072 4.732 4.660 -0.000 0.000 0.263 109 W C 1.837 178.458 176.519 0.170 0.000 1.274 109 W CA 1.176 58.595 57.345 0.123 0.000 1.343 109 W CB -0.944 28.616 29.460 0.168 0.000 1.106 109 W HN 0.329 nan 8.180 nan 0.000 0.615 110 S N -0.317 115.330 115.700 -0.087 0.000 2.478 110 S HA -0.014 4.456 4.470 -0.000 0.000 0.222 110 S C 1.544 176.097 174.600 -0.079 0.000 1.008 110 S CA 1.119 59.349 58.200 0.050 0.000 0.928 110 S CB -0.882 62.225 63.200 -0.155 0.000 0.781 110 S HN 0.399 nan 8.310 nan 0.000 0.518 111 T N -4.035 110.242 114.554 -0.462 0.000 2.964 111 T HA 0.533 4.883 4.350 -0.000 0.000 0.250 111 T C 1.555 175.291 174.700 -1.607 0.000 0.982 111 T CA 0.723 62.288 62.100 -0.893 0.000 0.959 111 T CB 0.069 68.677 68.868 -0.434 0.000 1.141 111 T HN 1.195 nan 8.240 nan 0.000 0.494 112 G N 0.788 108.993 108.800 -0.991 0.000 2.141 112 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.242 112 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.242 112 G C -0.009 174.758 174.900 -0.222 0.000 0.982 112 G CA 0.069 44.850 45.100 -0.532 0.000 0.662 112 G HN 1.194 nan 8.290 nan 0.000 0.527 113 V N 0.552 120.266 119.914 -0.333 0.000 2.656 113 V HA 0.704 4.824 4.120 -0.000 0.000 0.307 113 V C 0.081 176.037 176.094 -0.230 0.000 1.051 113 V CA -1.281 60.850 62.300 -0.281 0.000 0.893 113 V CB 1.635 33.163 31.823 -0.492 0.000 0.999 113 V HN 0.185 nan 8.190 nan 0.000 0.426 114 K N 2.944 123.241 120.400 -0.171 0.000 2.219 114 K HA 0.464 4.784 4.320 -0.000 0.000 0.258 114 K C -0.066 176.449 176.600 -0.142 0.000 1.008 114 K CA 0.087 56.275 56.287 -0.164 0.000 0.928 114 K CB 1.377 33.796 32.500 -0.136 0.000 0.983 114 K HN 0.881 nan 8.250 nan 0.000 0.484 115 T N 0.039 114.513 114.554 -0.134 0.000 2.671 115 T HA 0.411 4.761 4.350 -0.000 0.000 0.300 115 T C -1.470 173.192 174.700 -0.064 0.000 1.238 115 T CA -0.763 61.272 62.100 -0.107 0.000 1.020 115 T CB 0.328 69.070 68.868 -0.211 0.000 1.503 115 T HN 0.407 nan 8.240 nan 0.000 0.497 116 Y N 1.012 121.266 120.300 -0.078 0.000 2.301 116 Y HA 0.648 5.197 4.550 -0.001 0.000 0.328 116 Y C 0.525 176.395 175.900 -0.050 0.000 1.242 116 Y CA -1.330 56.733 58.100 -0.061 0.000 1.323 116 Y CB -0.004 38.422 38.460 -0.057 0.000 1.266 116 Y HN 0.362 nan 8.280 nan 0.000 0.527 117 N N 1.272 120.009 118.700 0.062 0.000 2.412 117 N HA 0.248 4.987 4.740 -0.000 0.000 0.258 117 N C 1.076 176.573 175.510 -0.023 0.000 1.236 117 N CA 1.456 54.500 53.050 -0.009 0.000 0.882 117 N CB 0.848 39.353 38.487 0.030 0.000 1.066 117 N HN 1.115 nan 8.380 nan 0.000 0.465 118 G N -0.054 108.682 108.800 -0.106 0.000 2.232 118 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.226 118 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.226 118 G C 0.194 174.969 174.900 -0.209 0.000 0.996 118 G CA 0.164 45.214 45.100 -0.083 0.000 0.626 118 G HN 0.901 nan 8.290 nan 0.000 0.509 119 A N 0.264 122.770 122.820 -0.524 0.000 2.340 119 A HA 0.794 5.114 4.320 -0.000 0.000 0.268 119 A C -0.020 177.365 177.584 -0.332 0.000 1.100 119 A CA 0.043 51.725 52.037 -0.591 0.000 0.803 119 A CB 0.614 18.903 19.000 -1.185 0.000 1.043 119 A HN 0.884 nan 8.150 nan 0.000 0.488 120 L N 1.856 122.947 121.223 -0.221 0.000 2.372 120 L HA 0.523 4.862 4.340 -0.000 0.000 0.274 120 L C 1.102 177.876 176.870 -0.159 0.000 0.988 120 L CA 0.129 54.854 54.840 -0.191 0.000 0.833 120 L CB 1.706 43.674 42.059 -0.152 0.000 1.236 120 L HN 1.228 nan 8.230 nan 0.000 0.410 121 G N 2.828 111.521 108.800 -0.177 0.000 2.180 121 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.263 121 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.263 121 G C -0.041 174.956 174.900 0.162 0.000 0.989 121 G CA 0.548 45.611 45.100 -0.061 0.000 0.692 121 G HN 0.676 nan 8.290 nan 0.000 0.526 122 V N -2.581 117.363 119.914 0.051 0.000 2.962 122 V HA 0.868 4.988 4.120 -0.000 0.000 0.313 122 V C 0.100 176.239 176.094 0.075 0.000 1.099 122 V CA -0.519 61.852 62.300 0.118 0.000 0.971 122 V CB 2.123 34.010 31.823 0.106 0.000 1.028 122 V HN 0.359 nan 8.190 nan 0.000 0.430 123 D N 2.401 122.906 120.400 0.176 0.000 2.507 123 D HA 0.264 4.904 4.640 -0.000 0.000 0.280 123 D C 1.336 177.712 176.300 0.126 0.000 1.219 123 D CA -0.152 53.902 54.000 0.089 0.000 1.085 123 D CB 0.499 41.371 40.800 0.120 0.000 1.134 123 D HN 0.792 nan 8.370 nan 0.000 0.583 124 I N -3.112 117.457 120.570 -0.002 0.000 2.916 124 I HA -0.068 4.101 4.170 -0.000 0.000 0.267 124 I C 0.687 176.694 176.117 -0.184 0.000 1.263 124 I CA 0.826 62.101 61.300 -0.042 0.000 1.471 124 I CB -0.496 37.389 38.000 -0.191 0.000 1.089 124 I HN 0.207 nan 8.210 nan 0.000 0.468 125 H N 1.893 121.027 119.070 0.107 0.000 2.529 125 H HA 0.254 4.810 4.556 -0.000 0.000 0.277 125 H C 0.162 175.532 175.328 0.070 0.000 1.004 125 H CA 0.118 56.203 56.048 0.061 0.000 1.167 125 H CB -0.025 29.768 29.762 0.052 0.000 1.445 125 H HN 0.528 nan 8.280 nan 0.000 0.554 126 E N 0.283 120.595 120.200 0.186 0.000 2.971 126 E HA -0.206 4.143 4.350 -0.000 0.000 0.278 126 E C 0.367 177.036 176.600 0.115 0.000 1.009 126 E CA 0.440 56.939 56.400 0.165 0.000 0.862 126 E CB -0.883 28.893 29.700 0.126 0.000 1.436 126 E HN 0.381 nan 8.360 nan 0.000 0.434 127 K N 1.847 122.320 120.400 0.122 0.000 2.205 127 K HA 0.112 4.432 4.320 -0.000 0.000 0.279 127 K C -0.215 176.358 176.600 -0.045 0.000 1.027 127 K CA -0.509 55.786 56.287 0.013 0.000 0.932 127 K CB 0.733 33.229 32.500 -0.007 0.000 1.032 127 K HN -0.121 nan 8.250 nan 0.000 0.466 128 D N 2.584 122.898 120.400 -0.144 0.000 2.362 128 D HA 0.135 4.775 4.640 -0.000 0.000 0.242 128 D C -0.218 175.867 176.300 -0.358 0.000 1.132 128 D CA 0.443 54.338 54.000 -0.175 0.000 0.907 128 D CB 0.540 41.130 40.800 -0.351 0.000 1.195 128 D HN 0.455 nan 8.370 nan 0.000 0.429 129 H N 0.396 119.437 119.070 -0.049 0.000 2.856 129 H HA 0.250 4.806 4.556 -0.000 0.000 0.355 129 H C -2.328 173.008 175.328 0.012 0.000 1.079 129 H CA -1.389 54.629 56.048 -0.050 0.000 1.240 129 H CB 2.290 32.005 29.762 -0.079 0.000 1.701 129 H HN 0.144 nan 8.280 nan 0.000 0.527 130 P HA -0.045 nan 4.420 nan 0.000 0.266 130 P C 0.325 177.695 177.300 0.116 0.000 1.195 130 P CA 0.012 63.178 63.100 0.111 0.000 0.768 130 P CB 0.730 32.473 31.700 0.071 0.000 0.838 131 T N -0.327 114.306 114.554 0.131 0.000 2.902 131 T HA 0.202 4.552 4.350 -0.000 0.000 0.280 131 T C 1.268 176.025 174.700 0.095 0.000 0.992 131 T CA -0.702 61.441 62.100 0.073 0.000 1.015 131 T CB 0.619 69.491 68.868 0.007 0.000 1.044 131 T HN 0.191 nan 8.240 nan 0.000 0.520 132 I N 1.175 121.806 120.570 0.102 0.000 2.335 132 I HA -0.050 4.120 4.170 -0.000 0.000 0.251 132 I C 2.056 177.958 176.117 -0.359 0.000 1.129 132 I CA 1.250 62.468 61.300 -0.137 0.000 1.402 132 I CB -0.531 37.280 38.000 -0.315 0.000 1.069 132 I HN 0.793 nan 8.210 nan 0.000 0.424 133 L N 0.121 121.166 121.223 -0.297 0.000 2.027 133 L HA -0.212 4.128 4.340 -0.000 0.000 0.206 133 L C 2.405 179.251 176.870 -0.041 0.000 1.074 133 L CA 1.686 56.425 54.840 -0.170 0.000 0.745 133 L CB -0.521 41.561 42.059 0.039 0.000 0.898 133 L HN 0.260 nan 8.230 nan 0.000 0.433 134 E N -0.399 119.802 120.200 0.001 0.000 2.118 134 E HA -0.271 4.079 4.350 -0.000 0.000 0.195 134 E C 2.179 178.789 176.600 0.016 0.000 0.992 134 E CA 1.762 58.184 56.400 0.036 0.000 0.804 134 E CB -0.205 29.541 29.700 0.076 0.000 0.741 134 E HN 0.585 nan 8.360 nan 0.000 0.458 135 M N 0.348 119.945 119.600 -0.006 0.000 2.132 135 M HA -0.091 4.389 4.480 -0.000 0.000 0.263 135 M C 2.535 178.814 176.300 -0.035 0.000 1.065 135 M CA 1.266 56.556 55.300 -0.016 0.000 1.122 135 M CB -0.204 32.383 32.600 -0.023 0.000 1.365 135 M HN 0.121 nan 8.290 nan 0.000 0.411 136 A N 0.649 123.429 122.820 -0.067 0.000 1.902 136 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 136 A C 2.161 179.759 177.584 0.023 0.000 1.181 136 A CA 1.971 53.992 52.037 -0.028 0.000 0.623 136 A CB -0.642 18.346 19.000 -0.020 0.000 0.818 136 A HN 0.441 nan 8.150 nan 0.000 0.443 137 K N -0.285 120.134 120.400 0.032 0.000 2.026 137 K HA -0.111 4.209 4.320 -0.000 0.000 0.208 137 K C 2.147 178.766 176.600 0.032 0.000 1.048 137 K CA 1.327 57.641 56.287 0.045 0.000 0.929 137 K CB -0.373 32.157 32.500 0.050 0.000 0.713 137 K HN 0.348 nan 8.250 nan 0.000 0.439 138 A N 0.839 123.673 122.820 0.023 0.000 1.940 138 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 138 A C 2.172 179.765 177.584 0.016 0.000 1.176 138 A CA 1.943 53.991 52.037 0.019 0.000 0.631 138 A CB -0.691 18.318 19.000 0.016 0.000 0.814 138 A HN 0.492 nan 8.150 nan 0.000 0.446 139 A N -2.168 120.659 122.820 0.013 0.000 2.238 139 A HA 0.412 4.732 4.320 -0.000 0.000 0.208 139 A C 1.793 179.389 177.584 0.020 0.000 1.177 139 A CA 1.202 53.246 52.037 0.011 0.000 0.804 139 A CB -0.838 18.162 19.000 -0.000 0.000 0.823 139 A HN 1.898 nan 8.150 nan 0.000 0.482 140 G N -1.448 107.369 108.800 0.028 0.000 2.175 140 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.244 140 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.244 140 G C 0.119 175.050 174.900 0.052 0.000 0.982 140 G CA 0.169 45.290 45.100 0.035 0.000 0.641 140 G HN 0.414 nan 8.290 nan 0.000 0.527 141 L N 0.894 122.155 121.223 0.064 0.000 2.436 141 L HA 0.650 4.990 4.340 -0.000 0.000 0.265 141 L C 1.272 178.220 176.870 0.129 0.000 1.168 141 L CA -0.259 54.643 54.840 0.102 0.000 0.815 141 L CB 0.943 43.069 42.059 0.110 0.000 1.109 141 L HN 0.320 nan 8.230 nan 0.000 0.462 142 A N 1.426 124.349 122.820 0.172 0.000 2.332 142 A HA 0.584 4.903 4.320 -0.000 0.000 0.258 142 A C 0.100 177.813 177.584 0.213 0.000 1.087 142 A CA -0.118 52.010 52.037 0.152 0.000 0.802 142 A CB 0.388 19.462 19.000 0.123 0.000 1.042 142 A HN 0.762 nan 8.150 nan 0.000 0.489 143 T N -1.343 113.307 114.554 0.159 0.000 2.916 143 T HA 0.707 5.056 4.350 -0.000 0.000 0.298 143 T C -0.349 174.430 174.700 0.131 0.000 1.031 143 T CA 0.008 62.239 62.100 0.219 0.000 0.993 143 T CB 1.694 70.697 68.868 0.225 0.000 1.045 143 T HN 1.546 nan 8.240 nan 0.000 0.454 144 G N 1.188 110.065 108.800 0.128 0.000 2.617 144 G HA2 0.570 4.529 3.960 -0.000 0.000 0.306 144 G HA3 0.570 4.529 3.960 -0.000 0.000 0.306 144 G C -1.550 173.386 174.900 0.061 0.000 1.360 144 G CA -0.788 44.335 45.100 0.039 0.000 0.983 144 G HN 0.771 nan 8.290 nan 0.000 0.496 145 N N 1.170 119.907 118.700 0.062 0.000 2.491 145 N HA 0.539 5.279 4.740 -0.000 0.000 0.274 145 N C -1.234 174.302 175.510 0.044 0.000 1.023 145 N CA -0.295 52.801 53.050 0.077 0.000 0.902 145 N CB 1.993 40.543 38.487 0.105 0.000 1.267 145 N HN 0.244 nan 8.380 nan 0.000 0.503 146 V N 1.488 121.417 119.914 0.026 0.000 2.656 146 V HA 0.771 4.891 4.120 -0.000 0.000 0.307 146 V C -0.318 175.789 176.094 0.023 0.000 1.051 146 V CA -0.630 61.682 62.300 0.020 0.000 0.893 146 V CB 1.608 33.423 31.823 -0.014 0.000 0.999 146 V HN 0.700 nan 8.190 nan 0.000 0.426 147 S N 1.654 117.374 115.700 0.034 0.000 2.565 147 S HA 0.445 4.915 4.470 -0.000 0.000 0.269 147 S C 0.551 175.171 174.600 0.035 0.000 1.153 147 S CA 0.246 58.464 58.200 0.030 0.000 0.835 147 S CB 2.184 65.409 63.200 0.042 0.000 1.122 147 S HN 1.002 nan 8.310 nan 0.000 0.462 148 T N 0.490 115.055 114.554 0.019 0.000 3.081 148 T HA 0.550 4.900 4.350 -0.000 0.000 0.250 148 T C 0.832 175.554 174.700 0.036 0.000 1.100 148 T CA 0.450 62.561 62.100 0.019 0.000 1.038 148 T CB -0.035 68.825 68.868 -0.012 0.000 0.962 148 T HN 0.844 nan 8.240 nan 0.000 0.516 149 A N 1.410 124.255 122.820 0.041 0.000 2.274 149 A HA 0.576 4.896 4.320 -0.000 0.000 0.297 149 A C -0.046 177.564 177.584 0.043 0.000 1.191 149 A CA -0.888 51.178 52.037 0.050 0.000 0.889 149 A CB 0.407 19.442 19.000 0.059 0.000 1.294 149 A HN 0.502 nan 8.150 nan 0.000 0.506 150 E N -0.175 120.048 120.200 0.039 0.000 2.384 150 E HA 0.080 4.429 4.350 -0.000 0.000 0.266 150 E C 0.208 176.784 176.600 -0.040 0.000 1.012 150 E CA -0.544 55.862 56.400 0.010 0.000 0.901 150 E CB 0.358 30.066 29.700 0.013 0.000 0.967 150 E HN 0.415 nan 8.360 nan 0.000 0.435 151 L N 2.829 124.035 121.223 -0.028 0.000 2.349 151 L HA -0.187 4.153 4.340 -0.000 0.000 0.220 151 L C 1.651 178.441 176.870 -0.132 0.000 1.130 151 L CA 1.687 56.507 54.840 -0.034 0.000 0.791 151 L CB -0.791 41.288 42.059 0.033 0.000 0.918 151 L HN 0.546 nan 8.230 nan 0.000 0.444 152 Q N -1.359 118.262 119.800 -0.298 0.000 2.425 152 Q HA 0.019 4.358 4.340 -0.000 0.000 0.204 152 Q C 0.534 176.209 176.000 -0.541 0.000 0.933 152 Q CA -0.031 55.422 55.803 -0.584 0.000 0.939 152 Q CB -0.053 27.955 28.738 -1.216 0.000 1.044 152 Q HN 0.286 nan 8.270 nan 0.000 0.513 153 D N -0.477 119.763 120.400 -0.268 0.000 2.368 153 D HA 0.117 4.757 4.640 -0.000 0.000 0.240 153 D C 0.951 177.235 176.300 -0.027 0.000 1.169 153 D CA 0.490 54.460 54.000 -0.051 0.000 0.906 153 D CB 0.950 41.772 40.800 0.037 0.000 1.187 153 D HN 0.129 nan 8.370 nan 0.000 0.435 154 A N 2.345 125.183 122.820 0.030 0.000 1.881 154 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 154 A C 2.136 179.704 177.584 -0.027 0.000 1.215 154 A CA 2.814 54.849 52.037 -0.004 0.000 0.648 154 A CB -1.188 17.823 19.000 0.018 0.000 0.832 154 A HN 0.723 nan 8.150 nan 0.000 0.455 155 T N 0.546 115.119 114.554 0.033 0.000 2.607 155 T HA -0.120 4.229 4.350 -0.000 0.000 0.267 155 T C -0.080 174.672 174.700 0.086 0.000 1.049 155 T CA 1.950 64.102 62.100 0.085 0.000 1.162 155 T CB -1.336 67.646 68.868 0.191 0.000 0.863 155 T HN 0.587 nan 8.240 nan 0.000 0.424 156 P HA 0.145 nan 4.420 nan 0.000 0.222 156 P C 1.419 178.725 177.300 0.009 0.000 1.153 156 P CA 1.128 64.264 63.100 0.060 0.000 0.798 156 P CB -0.135 31.590 31.700 0.041 0.000 0.796 157 A N 1.191 123.986 122.820 -0.042 0.000 1.902 157 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 157 A C 2.510 180.023 177.584 -0.119 0.000 1.181 157 A CA 1.985 53.969 52.037 -0.088 0.000 0.623 157 A CB -1.604 17.328 19.000 -0.114 0.000 0.818 157 A HN 0.206 nan 8.150 nan 0.000 0.443 158 A N -0.360 122.379 122.820 -0.136 0.000 2.084 158 A HA -0.084 4.236 4.320 -0.000 0.000 0.221 158 A C 2.043 179.514 177.584 -0.189 0.000 1.161 158 A CA 1.537 53.449 52.037 -0.208 0.000 0.653 158 A CB -0.583 18.248 19.000 -0.283 0.000 0.802 158 A HN 0.508 nan 8.150 nan 0.000 0.457 159 L N -0.864 120.311 121.223 -0.080 0.000 2.313 159 L HA -0.055 4.285 4.340 -0.000 0.000 0.214 159 L C 1.930 178.770 176.870 -0.050 0.000 1.119 159 L CA 1.185 56.017 54.840 -0.013 0.000 0.809 159 L CB 0.015 42.148 42.059 0.123 0.000 0.933 159 L HN 0.454 nan 8.230 nan 0.000 0.449 160 V N -5.410 114.451 119.914 -0.090 0.000 3.451 160 V HA 0.539 4.659 4.120 -0.000 0.000 0.288 160 V C 0.520 176.527 176.094 -0.145 0.000 1.502 160 V CA -0.061 62.195 62.300 -0.072 0.000 1.026 160 V CB 0.105 31.925 31.823 -0.006 0.000 0.840 160 V HN 0.079 nan 8.190 nan 0.000 0.437 161 A N 0.212 122.873 122.820 -0.265 0.000 2.380 161 A HA 0.862 5.182 4.320 -0.000 0.000 0.315 161 A C -0.868 176.423 177.584 -0.487 0.000 1.101 161 A CA -0.512 51.375 52.037 -0.251 0.000 0.771 161 A CB 0.995 19.912 19.000 -0.138 0.000 1.287 161 A HN 0.529 nan 8.150 nan 0.000 0.436 162 H N 1.363 120.415 119.070 -0.031 0.000 2.854 162 H HA 0.468 5.023 4.556 -0.000 0.000 0.275 162 H C -0.951 174.365 175.328 -0.019 0.000 1.198 162 H CA -0.244 55.786 56.048 -0.030 0.000 1.489 162 H CB 1.016 30.764 29.762 -0.023 0.000 1.519 162 H HN 0.676 nan 8.280 nan 0.000 0.503 163 V N -0.137 119.802 119.914 0.041 0.000 3.007 163 V HA 0.373 4.492 4.120 -0.000 0.000 0.311 163 V C 1.208 177.324 176.094 0.038 0.000 1.120 163 V CA -0.811 61.513 62.300 0.041 0.000 0.980 163 V CB 1.885 33.721 31.823 0.022 0.000 1.033 163 V HN 0.620 nan 8.190 nan 0.000 0.429 164 T N -1.331 113.267 114.554 0.074 0.000 3.072 164 T HA 0.140 4.490 4.350 -0.000 0.000 0.266 164 T C 0.751 175.531 174.700 0.133 0.000 1.127 164 T CA 0.989 63.173 62.100 0.139 0.000 1.107 164 T CB -0.183 68.774 68.868 0.149 0.000 0.910 164 T HN 1.253 nan 8.240 nan 0.000 0.513 165 S N 0.517 116.256 115.700 0.064 0.000 2.566 165 S HA 0.368 4.838 4.470 -0.000 0.000 0.273 165 S C 0.908 175.527 174.600 0.033 0.000 1.157 165 S CA -1.044 57.187 58.200 0.052 0.000 0.938 165 S CB 1.441 64.678 63.200 0.061 0.000 1.087 165 S HN 0.456 nan 8.310 nan 0.000 0.474 166 R N 3.475 123.989 120.500 0.023 0.000 2.193 166 R HA -0.001 4.339 4.340 -0.000 0.000 0.229 166 R C 1.134 177.518 176.300 0.140 0.000 1.110 166 R CA 1.210 57.345 56.100 0.059 0.000 0.988 166 R CB -0.419 29.909 30.300 0.046 0.000 0.871 166 R HN 0.513 nan 8.270 nan 0.000 0.458 167 K N 0.538 120.974 120.400 0.061 0.000 2.362 167 K HA 0.007 4.326 4.320 -0.000 0.000 0.200 167 K C 0.365 176.979 176.600 0.023 0.000 1.046 167 K CA 0.695 56.969 56.287 -0.021 0.000 0.952 167 K CB 0.048 32.508 32.500 -0.066 0.000 0.753 167 K HN 0.185 nan 8.250 nan 0.000 0.466 168 c N 2.522 121.179 118.600 0.096 0.000 3.424 168 c HA 0.106 4.676 4.570 -0.000 0.000 0.577 168 c C 1.385 175.580 174.090 0.176 0.000 1.086 168 c CA -0.925 55.461 56.329 0.094 0.000 1.153 168 c CB -2.302 40.240 42.510 0.053 0.000 1.411 168 c HN 0.330 nan 8.230 nan 0.000 0.636 169 Y N 1.902 122.173 120.300 -0.048 0.000 2.014 169 Y HA 0.026 4.575 4.550 -0.001 0.000 0.270 169 Y C 1.924 177.764 175.900 -0.100 0.000 1.145 169 Y CA 1.800 59.859 58.100 -0.068 0.000 1.106 169 Y CB -0.948 37.479 38.460 -0.056 0.000 0.968 169 Y HN 0.513 nan 8.280 nan 0.000 0.484 170 G N -2.991 105.865 108.800 0.093 0.000 3.140 170 G HA2 0.381 4.341 3.960 -0.000 0.000 0.271 170 G HA3 0.381 4.341 3.960 -0.000 0.000 0.271 170 G C -2.095 172.800 174.900 -0.009 0.000 1.370 170 G CA -1.044 44.045 45.100 -0.019 0.000 1.014 170 G HN -0.135 nan 8.290 nan 0.000 0.541 171 P HA -0.184 nan 4.420 nan 0.000 0.217 171 P C 2.207 179.505 177.300 -0.003 0.000 1.162 171 P CA 2.506 65.599 63.100 -0.011 0.000 0.901 171 P CB 0.110 31.803 31.700 -0.012 0.000 0.793 172 S N -0.323 115.375 115.700 -0.004 0.000 2.359 172 S HA -0.223 4.246 4.470 -0.000 0.000 0.222 172 S C 2.121 176.716 174.600 -0.007 0.000 1.038 172 S CA 1.698 59.895 58.200 -0.005 0.000 1.051 172 S CB -1.411 61.785 63.200 -0.007 0.000 0.944 172 S HN 0.193 nan 8.310 nan 0.000 0.433 173 A N 1.290 124.106 122.820 -0.007 0.000 1.930 173 A HA -0.086 4.233 4.320 -0.000 0.000 0.217 173 A C 2.324 179.907 177.584 -0.003 0.000 1.175 173 A CA 1.934 53.961 52.037 -0.016 0.000 0.627 173 A CB -1.267 17.716 19.000 -0.029 0.000 0.815 173 A HN 0.510 nan 8.150 nan 0.000 0.443 174 T N 0.182 114.741 114.554 0.008 0.000 2.746 174 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 174 T C 2.201 176.906 174.700 0.007 0.000 1.039 174 T CA 1.650 63.757 62.100 0.012 0.000 1.142 174 T CB -0.354 68.522 68.868 0.013 0.000 0.866 174 T HN 0.486 nan 8.240 nan 0.000 0.444 175 S N 1.305 117.007 115.700 0.004 0.000 2.383 175 S HA -0.126 4.343 4.470 -0.000 0.000 0.229 175 S C 2.059 176.659 174.600 -0.000 0.000 1.030 175 S CA 1.133 59.335 58.200 0.002 0.000 1.002 175 S CB -0.228 62.972 63.200 0.001 0.000 0.829 175 S HN 0.613 nan 8.310 nan 0.000 0.467 176 E N 0.516 120.714 120.200 -0.004 0.000 2.030 176 E HA 0.011 4.360 4.350 -0.000 0.000 0.189 176 E C 2.041 178.638 176.600 -0.004 0.000 0.974 176 E CA 0.582 56.978 56.400 -0.007 0.000 0.807 176 E CB 0.034 29.726 29.700 -0.013 0.000 0.771 176 E HN 0.188 nan 8.360 nan 0.000 0.451 177 K N 0.104 120.502 120.400 -0.004 0.000 2.137 177 K HA 0.074 4.394 4.320 -0.000 0.000 0.202 177 K C 0.930 177.539 176.600 0.014 0.000 1.052 177 K CA 0.500 56.788 56.287 0.002 0.000 0.961 177 K CB 0.220 32.719 32.500 -0.002 0.000 0.741 177 K HN 0.120 nan 8.250 nan 0.000 0.452 178 c N 2.429 121.039 118.600 0.017 0.000 3.075 178 c HA 0.307 4.877 4.570 -0.000 0.000 0.262 178 c C -1.701 172.400 174.090 0.019 0.000 1.371 178 c CA -1.316 55.028 56.329 0.024 0.000 1.594 178 c CB 0.423 42.952 42.510 0.032 0.000 1.849 178 c HN 0.171 nan 8.230 nan 0.000 0.475 179 P HA -0.134 nan 4.420 nan 0.000 0.216 179 P C 1.788 179.096 177.300 0.012 0.000 1.153 179 P CA 1.884 64.990 63.100 0.010 0.000 0.858 179 P CB 0.135 31.839 31.700 0.006 0.000 0.789 180 G N -1.295 107.514 108.800 0.016 0.000 2.471 180 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.219 180 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.219 180 G C 1.204 176.116 174.900 0.019 0.000 1.125 180 G CA 0.740 45.850 45.100 0.016 0.000 0.775 180 G HN 0.347 nan 8.290 nan 0.000 0.548 181 N N 0.128 118.842 118.700 0.024 0.000 2.356 181 N HA 0.305 5.045 4.740 -0.000 0.000 0.178 181 N C 1.048 176.571 175.510 0.021 0.000 1.075 181 N CA 0.113 53.179 53.050 0.026 0.000 0.889 181 N CB 0.332 38.839 38.487 0.033 0.000 0.999 181 N HN 0.271 nan 8.380 nan 0.000 0.464 182 A N 0.873 123.703 122.820 0.017 0.000 2.548 182 A HA -0.012 4.308 4.320 -0.000 0.000 0.247 182 A C 1.245 178.839 177.584 0.016 0.000 1.067 182 A CA -0.135 51.911 52.037 0.014 0.000 0.757 182 A CB 0.068 19.074 19.000 0.011 0.000 0.996 182 A HN 0.258 nan 8.150 nan 0.000 0.504 183 L N 2.065 123.299 121.223 0.019 0.000 2.012 183 L HA -0.174 4.165 4.340 -0.000 0.000 0.210 183 L C 2.668 179.549 176.870 0.018 0.000 1.073 183 L CA 2.627 57.482 54.840 0.024 0.000 0.748 183 L CB -0.476 41.604 42.059 0.035 0.000 0.891 183 L HN 0.899 nan 8.230 nan 0.000 0.431 184 E N -0.160 120.049 120.200 0.015 0.000 2.515 184 E HA -0.222 4.127 4.350 -0.000 0.000 0.201 184 E C 0.979 177.583 176.600 0.006 0.000 1.071 184 E CA 1.001 57.407 56.400 0.010 0.000 0.880 184 E CB -0.231 29.474 29.700 0.008 0.000 0.828 184 E HN 0.542 nan 8.360 nan 0.000 0.540 185 K N -0.264 120.140 120.400 0.008 0.000 2.478 185 K HA 0.253 4.573 4.320 -0.000 0.000 0.205 185 K C 0.592 177.195 176.600 0.005 0.000 1.033 185 K CA 0.277 56.567 56.287 0.005 0.000 1.091 185 K CB 0.937 33.440 32.500 0.006 0.000 0.844 185 K HN 0.226 nan 8.250 nan 0.000 0.507 186 G N 1.039 109.843 108.800 0.007 0.000 2.176 186 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.253 186 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.253 186 G C 0.455 175.360 174.900 0.009 0.000 0.979 186 G CA -0.102 45.002 45.100 0.006 0.000 0.641 186 G HN 0.496 nan 8.290 nan 0.000 0.530 187 G N -0.814 107.994 108.800 0.013 0.000 2.588 187 G HA2 0.515 4.475 3.960 -0.000 0.000 0.281 187 G HA3 0.515 4.475 3.960 -0.000 0.000 0.281 187 G C 0.810 175.723 174.900 0.023 0.000 1.236 187 G CA 0.190 45.300 45.100 0.016 0.000 0.969 187 G HN 0.281 nan 8.290 nan 0.000 0.504 188 K N -0.569 119.847 120.400 0.027 0.000 2.439 188 K HA 0.262 4.582 4.320 -0.000 0.000 0.197 188 K C 1.177 177.801 176.600 0.040 0.000 1.041 188 K CA 0.859 57.168 56.287 0.037 0.000 0.970 188 K CB -0.036 32.493 32.500 0.048 0.000 0.773 188 K HN 0.937 nan 8.250 nan 0.000 0.479 189 G N 0.359 109.177 108.800 0.031 0.000 2.462 189 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.685 189 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.685 189 G C -0.418 174.487 174.900 0.008 0.000 1.295 189 G CA -0.492 44.620 45.100 0.021 0.000 0.941 189 G HN 0.184 nan 8.290 nan 0.000 0.554 190 S N -0.967 114.726 115.700 -0.012 0.000 2.641 190 S HA 0.576 5.046 4.470 -0.000 0.000 0.261 190 S C 1.854 176.425 174.600 -0.049 0.000 1.257 190 S CA 0.057 58.243 58.200 -0.022 0.000 0.983 190 S CB 0.872 64.051 63.200 -0.036 0.000 0.990 190 S HN 0.904 nan 8.310 nan 0.000 0.572 191 I N 0.833 121.368 120.570 -0.058 0.000 2.163 191 I HA -0.218 3.952 4.170 -0.000 0.000 0.243 191 I C 2.684 178.709 176.117 -0.153 0.000 1.085 191 I CA 1.731 62.972 61.300 -0.098 0.000 1.347 191 I CB -1.048 36.880 38.000 -0.121 0.000 1.044 191 I HN 0.730 nan 8.210 nan 0.000 0.408 192 T N 0.017 114.438 114.554 -0.221 0.000 2.746 192 T HA -0.173 4.176 4.350 -0.000 0.000 0.267 192 T C 1.735 176.258 174.700 -0.294 0.000 1.039 192 T CA 1.379 63.261 62.100 -0.363 0.000 1.142 192 T CB -0.273 68.249 68.868 -0.576 0.000 0.866 192 T HN 0.428 nan 8.240 nan 0.000 0.444 193 E N 1.099 121.181 120.200 -0.198 0.000 2.072 193 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 193 E C 2.507 179.063 176.600 -0.074 0.000 0.985 193 E CA 0.875 57.198 56.400 -0.129 0.000 0.801 193 E CB -0.125 29.538 29.700 -0.062 0.000 0.750 193 E HN 0.551 nan 8.360 nan 0.000 0.452 194 Q N 0.467 120.237 119.800 -0.050 0.000 2.167 194 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 194 Q C 2.359 178.353 176.000 -0.011 0.000 0.970 194 Q CA 0.643 56.443 55.803 -0.005 0.000 0.855 194 Q CB -0.048 28.698 28.738 0.013 0.000 0.911 194 Q HN 0.307 nan 8.270 nan 0.000 0.438 195 L N 0.417 121.607 121.223 -0.055 0.000 2.027 195 L HA -0.177 4.163 4.340 -0.000 0.000 0.206 195 L C 2.004 178.870 176.870 -0.007 0.000 1.074 195 L CA 1.123 55.943 54.840 -0.034 0.000 0.745 195 L CB -0.096 41.923 42.059 -0.067 0.000 0.898 195 L HN 0.207 nan 8.230 nan 0.000 0.433 196 L N 0.001 121.177 121.223 -0.079 0.000 2.131 196 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 196 L C 2.354 179.268 176.870 0.074 0.000 1.092 196 L CA 0.705 55.489 54.840 -0.093 0.000 0.759 196 L CB -0.914 41.010 42.059 -0.225 0.000 0.903 196 L HN 0.399 nan 8.230 nan 0.000 0.435 197 N N 0.892 119.616 118.700 0.040 0.000 2.007 197 N HA -0.213 4.527 4.740 -0.000 0.000 0.197 197 N C 1.915 177.484 175.510 0.099 0.000 1.050 197 N CA 1.880 54.975 53.050 0.076 0.000 0.856 197 N CB -0.476 38.052 38.487 0.068 0.000 1.050 197 N HN 0.314 nan 8.380 nan 0.000 0.423 198 A N 0.634 123.510 122.820 0.093 0.000 2.024 198 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 198 A C 0.971 178.619 177.584 0.106 0.000 1.164 198 A CA 0.914 53.007 52.037 0.093 0.000 0.643 198 A CB -0.562 18.486 19.000 0.081 0.000 0.806 198 A HN 0.465 nan 8.150 nan 0.000 0.451 199 R N -1.604 118.993 120.500 0.161 0.000 3.127 199 R HA -0.180 4.160 4.340 -0.000 0.000 0.247 199 R C 0.111 176.460 176.300 0.083 0.000 0.896 199 R CA 0.116 56.306 56.100 0.149 0.000 0.624 199 R CB -1.839 28.479 30.300 0.030 0.000 1.154 199 R HN 0.808 nan 8.270 nan 0.000 0.474 200 A N 1.607 124.505 122.820 0.128 0.000 2.407 200 A HA 0.137 4.456 4.320 -0.000 0.000 0.248 200 A C 0.787 178.408 177.584 0.062 0.000 1.082 200 A CA 0.198 52.296 52.037 0.101 0.000 0.785 200 A CB 0.372 19.445 19.000 0.123 0.000 1.020 200 A HN 0.612 nan 8.150 nan 0.000 0.489 201 D N -0.184 120.237 120.400 0.035 0.000 2.117 201 D HA 0.038 4.677 4.640 -0.000 0.000 0.197 201 D C 0.056 176.355 176.300 -0.002 0.000 0.987 201 D CA 1.528 55.523 54.000 -0.008 0.000 0.829 201 D CB -0.032 40.761 40.800 -0.010 0.000 0.961 201 D HN 0.220 nan 8.370 nan 0.000 0.460 202 V N 0.150 120.074 119.914 0.017 0.000 2.577 202 V HA 0.425 4.545 4.120 -0.000 0.000 0.303 202 V C -0.519 175.599 176.094 0.040 0.000 1.042 202 V CA -0.620 61.687 62.300 0.011 0.000 0.872 202 V CB 2.146 33.945 31.823 -0.040 0.000 0.998 202 V HN -0.078 nan 8.190 nan 0.000 0.423 203 T N 6.620 121.202 114.554 0.047 0.000 2.949 203 T HA 0.688 5.038 4.350 -0.000 0.000 0.300 203 T C -0.804 173.904 174.700 0.013 0.000 0.988 203 T CA -0.315 61.811 62.100 0.043 0.000 0.993 203 T CB 0.864 69.767 68.868 0.059 0.000 0.984 203 T HN 0.380 nan 8.240 nan 0.000 0.442 204 L N 2.548 123.797 121.223 0.043 0.000 2.408 204 L HA 0.928 5.268 4.340 -0.000 0.000 0.268 204 L C 0.509 177.458 176.870 0.132 0.000 0.986 204 L CA -0.654 54.254 54.840 0.114 0.000 0.820 204 L CB 2.174 44.377 42.059 0.241 0.000 1.303 204 L HN 0.902 nan 8.230 nan 0.000 0.411 205 G N 1.091 109.979 108.800 0.148 0.000 2.344 205 G HA2 0.440 4.399 3.960 -0.000 0.000 0.282 205 G HA3 0.440 4.399 3.960 -0.000 0.000 0.282 205 G C -0.948 174.005 174.900 0.088 0.000 1.281 205 G CA -0.034 45.153 45.100 0.145 0.000 0.877 205 G HN 0.817 nan 8.290 nan 0.000 0.494 206 G N -2.137 106.701 108.800 0.063 0.000 2.606 206 G HA2 0.641 4.601 3.960 -0.000 0.000 0.262 206 G HA3 0.641 4.601 3.960 -0.000 0.000 0.262 206 G C 1.063 175.969 174.900 0.009 0.000 1.394 206 G CA 0.613 45.735 45.100 0.035 0.000 1.044 206 G HN 2.402 nan 8.290 nan 0.000 0.553 207 G N -2.215 106.606 108.800 0.035 0.000 2.140 207 G HA2 0.148 4.107 3.960 -0.000 0.000 0.211 207 G HA3 0.148 4.107 3.960 -0.000 0.000 0.211 207 G C 1.120 176.108 174.900 0.147 0.000 1.013 207 G CA 1.016 46.162 45.100 0.077 0.000 0.705 207 G HN 1.558 nan 8.290 nan 0.000 0.508 208 A N 0.022 122.868 122.820 0.044 0.000 1.933 208 A HA 0.063 4.383 4.320 -0.000 0.000 0.218 208 A C 2.165 179.830 177.584 0.135 0.000 1.175 208 A CA 2.446 54.490 52.037 0.011 0.000 0.628 208 A CB -0.365 18.592 19.000 -0.072 0.000 0.814 208 A HN 0.693 nan 8.150 nan 0.000 0.444 209 K N -0.724 119.741 120.400 0.108 0.000 2.000 209 K HA -0.217 4.103 4.320 -0.000 0.000 0.218 209 K C 1.969 178.639 176.600 0.116 0.000 1.053 209 K CA 2.277 58.624 56.287 0.099 0.000 0.946 209 K CB -0.548 32.005 32.500 0.088 0.000 0.723 209 K HN 0.435 nan 8.250 nan 0.000 0.446 210 T N 0.566 115.195 114.554 0.127 0.000 2.803 210 T HA -0.137 4.212 4.350 -0.000 0.000 0.269 210 T C 1.395 176.082 174.700 -0.023 0.000 1.052 210 T CA 1.383 63.511 62.100 0.048 0.000 1.136 210 T CB -0.323 68.547 68.868 0.003 0.000 0.864 210 T HN 0.193 nan 8.240 nan 0.000 0.467 211 F N 1.343 121.262 119.950 -0.052 0.000 2.494 211 F HA 0.110 4.637 4.527 -0.001 0.000 0.298 211 F C 2.329 178.096 175.800 -0.054 0.000 1.106 211 F CA 0.296 58.251 58.000 -0.075 0.000 1.452 211 F CB -0.382 38.553 39.000 -0.108 0.000 1.085 211 F HN 0.151 nan 8.300 nan 0.000 0.569 212 A N -0.835 122.053 122.820 0.114 0.000 2.169 212 A HA -0.005 4.315 4.320 -0.000 0.000 0.212 212 A C 1.084 178.687 177.584 0.031 0.000 1.153 212 A CA 0.142 52.217 52.037 0.064 0.000 0.756 212 A CB -0.452 18.579 19.000 0.052 0.000 0.813 212 A HN 0.280 nan 8.150 nan 0.000 0.471 213 E N 0.449 120.655 120.200 0.009 0.000 2.391 213 E HA 0.324 4.674 4.350 -0.000 0.000 0.255 213 E C -0.112 176.485 176.600 -0.005 0.000 1.187 213 E CA 0.350 56.747 56.400 -0.005 0.000 0.941 213 E CB 0.509 30.196 29.700 -0.022 0.000 1.010 213 E HN 0.407 nan 8.360 nan 0.000 0.458 214 T N -1.880 112.676 114.554 0.002 0.000 2.829 214 T HA 0.606 4.956 4.350 -0.000 0.000 0.280 214 T C -0.221 174.489 174.700 0.017 0.000 0.999 214 T CA -1.124 60.986 62.100 0.015 0.000 0.983 214 T CB 1.625 70.507 68.868 0.024 0.000 0.968 214 T HN 0.492 nan 8.240 nan 0.000 0.446 215 A N 2.408 125.249 122.820 0.036 0.000 2.477 215 A HA 0.450 4.769 4.320 -0.000 0.000 0.246 215 A C 1.558 179.168 177.584 0.043 0.000 1.078 215 A CA -0.013 52.052 52.037 0.048 0.000 0.770 215 A CB -0.206 18.855 19.000 0.101 0.000 1.011 215 A HN 1.147 nan 8.150 nan 0.000 0.494 216 T N -0.634 113.939 114.554 0.032 0.000 3.088 216 T HA 0.491 4.840 4.350 -0.000 0.000 0.259 216 T C 0.618 175.332 174.700 0.024 0.000 1.122 216 T CA 0.876 62.990 62.100 0.023 0.000 1.095 216 T CB -0.288 68.589 68.868 0.015 0.000 0.930 216 T HN 1.735 nan 8.240 nan 0.000 0.508 217 A N -0.547 122.294 122.820 0.035 0.000 2.588 217 A HA 0.797 5.117 4.320 -0.000 0.000 0.309 217 A C 0.346 177.954 177.584 0.041 0.000 1.173 217 A CA -0.236 51.817 52.037 0.026 0.000 0.631 217 A CB 0.432 19.443 19.000 0.017 0.000 1.364 217 A HN 1.519 nan 8.150 nan 0.000 0.526 218 G N -0.868 107.938 108.800 0.011 0.000 2.828 218 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.463 218 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.463 218 G C 0.496 175.327 174.900 -0.114 0.000 1.394 218 G CA 0.829 45.923 45.100 -0.010 0.000 0.862 218 G HN 1.450 nan 8.290 nan 0.000 0.540 219 E N -0.884 119.119 120.200 -0.329 0.000 2.209 219 E HA -0.097 4.252 4.350 -0.000 0.000 0.196 219 E C 0.889 177.082 176.600 -0.679 0.000 0.993 219 E CA 1.594 57.591 56.400 -0.673 0.000 0.819 219 E CB -0.060 28.889 29.700 -1.251 0.000 0.745 219 E HN 0.541 nan 8.360 nan 0.000 0.477 220 W N 1.960 123.265 121.300 0.009 0.000 2.937 220 W HA 0.222 4.882 4.660 -0.000 0.000 0.435 220 W C 0.215 176.736 176.519 0.004 0.000 0.912 220 W CA -0.716 56.634 57.345 0.009 0.000 2.209 220 W CB -0.459 29.009 29.460 0.013 0.000 1.144 220 W HN 0.125 nan 8.180 nan 0.000 0.762 221 Q N 0.214 120.077 119.800 0.105 0.000 2.349 221 Q HA 0.269 4.608 4.340 -0.000 0.000 0.287 221 Q C 1.488 177.530 176.000 0.071 0.000 1.044 221 Q CA 2.082 57.930 55.803 0.074 0.000 0.918 221 Q CB 0.707 29.460 28.738 0.024 0.000 1.242 221 Q HN 0.483 nan 8.270 nan 0.000 0.405 222 G N 2.860 111.696 108.800 0.061 0.000 2.304 222 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.252 222 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.252 222 G C -0.161 174.775 174.900 0.061 0.000 1.014 222 G CA 0.352 45.482 45.100 0.050 0.000 0.619 222 G HN 0.546 nan 8.290 nan 0.000 0.525 223 K N 1.816 122.271 120.400 0.092 0.000 2.098 223 K HA 0.534 4.854 4.320 -0.000 0.000 0.257 223 K C 0.952 177.593 176.600 0.070 0.000 0.999 223 K CA 0.343 56.685 56.287 0.093 0.000 0.924 223 K CB 0.744 33.333 32.500 0.147 0.000 1.028 223 K HN 0.536 nan 8.250 nan 0.000 0.466 224 T N -1.637 112.948 114.554 0.050 0.000 2.868 224 T HA 0.214 4.564 4.350 -0.000 0.000 0.292 224 T C 1.736 176.449 174.700 0.021 0.000 1.028 224 T CA -0.636 61.484 62.100 0.034 0.000 1.059 224 T CB 0.419 69.309 68.868 0.036 0.000 0.991 224 T HN 0.426 nan 8.240 nan 0.000 0.531 225 L N -0.050 121.171 121.223 -0.004 0.000 2.265 225 L HA -0.048 4.292 4.340 -0.000 0.000 0.215 225 L C 3.027 179.940 176.870 0.071 0.000 1.117 225 L CA 1.047 55.858 54.840 -0.047 0.000 0.782 225 L CB -0.585 41.347 42.059 -0.212 0.000 0.914 225 L HN 0.697 nan 8.230 nan 0.000 0.441 226 R N 0.710 121.285 120.500 0.125 0.000 2.062 226 R HA -0.156 4.183 4.340 -0.000 0.000 0.231 226 R C 2.175 178.479 176.300 0.007 0.000 1.136 226 R CA 1.530 57.686 56.100 0.093 0.000 0.948 226 R CB -0.137 30.194 30.300 0.050 0.000 0.845 226 R HN 0.323 nan 8.270 nan 0.000 0.430 227 E N -0.068 120.138 120.200 0.010 0.000 2.085 227 E HA -0.298 4.051 4.350 -0.000 0.000 0.194 227 E C 2.006 178.586 176.600 -0.033 0.000 0.994 227 E CA 1.448 57.852 56.400 0.007 0.000 0.801 227 E CB -0.127 29.596 29.700 0.038 0.000 0.743 227 E HN 0.469 nan 8.360 nan 0.000 0.453 228 Q N 0.697 120.440 119.800 -0.095 0.000 2.061 228 Q HA -0.237 4.103 4.340 -0.000 0.000 0.204 228 Q C 2.208 178.017 176.000 -0.318 0.000 0.984 228 Q CA 1.696 57.295 55.803 -0.339 0.000 0.846 228 Q CB -0.191 28.286 28.738 -0.434 0.000 0.902 228 Q HN 0.251 nan 8.270 nan 0.000 0.421 229 A N 0.696 123.399 122.820 -0.195 0.000 1.892 229 A HA -0.290 4.029 4.320 -0.000 0.000 0.218 229 A C 1.972 179.568 177.584 0.019 0.000 1.188 229 A CA 1.960 53.906 52.037 -0.152 0.000 0.631 229 A CB -0.703 18.166 19.000 -0.219 0.000 0.822 229 A HN 0.609 nan 8.150 nan 0.000 0.447 230 Q N -0.952 118.841 119.800 -0.012 0.000 2.079 230 Q HA -0.037 4.302 4.340 -0.000 0.000 0.200 230 Q C 2.380 178.400 176.000 0.034 0.000 0.974 230 Q CA 1.216 57.032 55.803 0.022 0.000 0.840 230 Q CB -0.363 28.378 28.738 0.005 0.000 0.898 230 Q HN 0.682 nan 8.270 nan 0.000 0.430 231 A N 1.162 123.993 122.820 0.018 0.000 2.067 231 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 231 A C 1.835 179.469 177.584 0.083 0.000 1.158 231 A CA 0.899 52.981 52.037 0.075 0.000 0.661 231 A CB -0.158 18.931 19.000 0.148 0.000 0.801 231 A HN 0.146 nan 8.150 nan 0.000 0.452 232 R N -1.573 118.934 120.500 0.012 0.000 2.317 232 R HA 0.161 4.500 4.340 -0.000 0.000 0.208 232 R C 1.179 177.499 176.300 0.033 0.000 0.914 232 R CA 0.678 56.800 56.100 0.036 0.000 1.060 232 R CB 0.078 30.365 30.300 -0.021 0.000 1.015 232 R HN 0.700 nan 8.270 nan 0.000 0.498 233 G N 0.322 109.146 108.800 0.040 0.000 2.176 233 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.232 233 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.232 233 G C -0.186 174.682 174.900 -0.054 0.000 0.986 233 G CA -0.428 44.660 45.100 -0.020 0.000 0.643 233 G HN 0.260 nan 8.290 nan 0.000 0.522 234 Y N 1.463 121.729 120.300 -0.057 0.000 2.497 234 Y HA 0.394 4.944 4.550 -0.001 0.000 0.334 234 Y C 1.356 177.214 175.900 -0.070 0.000 1.199 234 Y CA 0.432 58.493 58.100 -0.066 0.000 1.425 234 Y CB 0.596 39.006 38.460 -0.083 0.000 1.291 234 Y HN 0.233 nan 8.280 nan 0.000 0.562 235 Q N 3.989 123.833 119.800 0.074 0.000 2.349 235 Q HA 0.326 4.665 4.340 -0.000 0.000 0.254 235 Q C -1.008 174.989 176.000 -0.006 0.000 0.980 235 Q CA -0.306 55.506 55.803 0.016 0.000 0.924 235 Q CB 0.851 29.585 28.738 -0.008 0.000 1.209 235 Q HN 0.513 nan 8.270 nan 0.000 0.445 236 L N 3.148 124.345 121.223 -0.044 0.000 2.292 236 L HA 0.498 4.838 4.340 -0.000 0.000 0.284 236 L C -0.452 176.345 176.870 -0.120 0.000 1.065 236 L CA -0.698 54.070 54.840 -0.119 0.000 0.806 236 L CB 1.181 43.155 42.059 -0.142 0.000 1.175 236 L HN 0.321 nan 8.230 nan 0.000 0.431 237 V N 2.109 121.911 119.914 -0.187 0.000 2.709 237 V HA 0.288 4.408 4.120 -0.000 0.000 0.308 237 V C 0.123 176.053 176.094 -0.274 0.000 1.062 237 V CA -0.248 61.965 62.300 -0.144 0.000 0.901 237 V CB 2.119 33.912 31.823 -0.050 0.000 1.003 237 V HN 0.852 nan 8.190 nan 0.000 0.425 238 S N 2.149 117.780 115.700 -0.115 0.000 2.666 238 S HA 0.283 4.753 4.470 -0.000 0.000 0.239 238 S C -0.227 174.486 174.600 0.188 0.000 1.031 238 S CA -0.252 57.892 58.200 -0.092 0.000 1.015 238 S CB 0.053 63.206 63.200 -0.078 0.000 0.981 238 S HN 1.036 nan 8.310 nan 0.000 0.547 239 D N -0.973 119.606 120.400 0.299 0.000 2.639 239 D HA 0.668 5.308 4.640 -0.000 0.000 0.271 239 D C 0.701 177.108 176.300 0.178 0.000 1.254 239 D CA -0.544 53.613 54.000 0.262 0.000 0.810 239 D CB 0.588 41.452 40.800 0.106 0.000 1.351 239 D HN -0.128 nan 8.370 nan 0.000 0.427 240 A N 0.548 123.369 122.820 0.001 0.000 1.908 240 A HA 0.057 4.377 4.320 -0.000 0.000 0.218 240 A C 2.218 179.792 177.584 -0.016 0.000 1.181 240 A CA 2.560 54.551 52.037 -0.076 0.000 0.627 240 A CB -1.431 17.502 19.000 -0.112 0.000 0.818 240 A HN 0.767 nan 8.150 nan 0.000 0.445 241 A N 0.426 123.248 122.820 0.003 0.000 1.859 241 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 241 A C 2.538 180.132 177.584 0.016 0.000 1.198 241 A CA 2.838 54.878 52.037 0.005 0.000 0.629 241 A CB -1.217 17.787 19.000 0.007 0.000 0.830 241 A HN 0.993 nan 8.150 nan 0.000 0.446 242 S N -0.247 115.475 115.700 0.036 0.000 2.382 242 S HA -0.145 4.325 4.470 -0.000 0.000 0.228 242 S C 1.824 176.453 174.600 0.048 0.000 1.027 242 S CA 1.381 59.603 58.200 0.037 0.000 0.991 242 S CB -0.699 62.523 63.200 0.037 0.000 0.823 242 S HN 0.471 nan 8.310 nan 0.000 0.469 243 L N 2.863 124.139 121.223 0.088 0.000 2.012 243 L HA -0.019 4.321 4.340 -0.000 0.000 0.210 243 L C 2.014 178.899 176.870 0.025 0.000 1.073 243 L CA 2.133 57.029 54.840 0.094 0.000 0.748 243 L CB -1.343 40.790 42.059 0.124 0.000 0.891 243 L HN 0.302 nan 8.230 nan 0.000 0.431 244 N N -1.219 117.481 118.700 0.000 0.000 2.453 244 N HA -0.126 4.614 4.740 -0.000 0.000 0.183 244 N C 1.538 177.041 175.510 -0.011 0.000 1.041 244 N CA 1.123 54.163 53.050 -0.017 0.000 0.900 244 N CB -0.035 38.437 38.487 -0.025 0.000 0.961 244 N HN 0.409 nan 8.380 nan 0.000 0.443 245 S N -0.908 114.790 115.700 -0.002 0.000 2.522 245 S HA 0.086 4.555 4.470 -0.000 0.000 0.227 245 S C 0.349 174.945 174.600 -0.007 0.000 0.986 245 S CA -0.084 58.114 58.200 -0.004 0.000 0.929 245 S CB 0.289 63.489 63.200 0.000 0.000 0.769 245 S HN 0.053 nan 8.310 nan 0.000 0.529 246 V N 3.639 123.549 119.914 -0.006 0.000 2.479 246 V HA 0.066 4.186 4.120 -0.000 0.000 0.281 246 V C 1.575 177.656 176.094 -0.021 0.000 1.031 246 V CA 0.547 62.840 62.300 -0.012 0.000 1.038 246 V CB 0.634 32.450 31.823 -0.010 0.000 0.981 246 V HN 0.551 nan 8.190 nan 0.000 0.478 247 T N 1.269 115.811 114.554 -0.020 0.000 3.040 247 T HA 0.165 4.514 4.350 -0.000 0.000 0.252 247 T C 0.375 175.058 174.700 -0.028 0.000 1.064 247 T CA 0.275 62.362 62.100 -0.022 0.000 1.110 247 T CB 0.124 68.982 68.868 -0.016 0.000 0.921 247 T HN 0.812 nan 8.240 nan 0.000 0.480 248 E N 0.112 120.294 120.200 -0.029 0.000 2.390 248 E HA 0.688 5.038 4.350 -0.000 0.000 0.277 248 E C -1.810 174.766 176.600 -0.040 0.000 0.939 248 E CA -1.642 54.737 56.400 -0.034 0.000 0.769 248 E CB 1.988 31.672 29.700 -0.027 0.000 1.251 248 E HN 0.199 nan 8.360 nan 0.000 0.450 249 A N 2.357 125.149 122.820 -0.047 0.000 2.429 249 A HA 0.698 5.018 4.320 -0.000 0.000 0.289 249 A C -1.350 176.203 177.584 -0.052 0.000 1.043 249 A CA -0.600 51.406 52.037 -0.053 0.000 0.722 249 A CB 0.760 19.726 19.000 -0.057 0.000 1.243 249 A HN 0.829 nan 8.150 nan 0.000 0.415 250 N N 0.653 119.318 118.700 -0.059 0.000 3.277 250 N HA 0.275 5.014 4.740 -0.000 0.000 0.278 250 N C 0.249 175.713 175.510 -0.077 0.000 1.544 250 N CA -0.720 52.300 53.050 -0.051 0.000 0.869 250 N CB 0.362 38.828 38.487 -0.035 0.000 1.584 250 N HN 0.147 nan 8.380 nan 0.000 0.564 251 Q N -0.479 119.285 119.800 -0.061 0.000 2.226 251 Q HA -0.100 4.239 4.340 -0.000 0.000 0.204 251 Q C 0.989 176.928 176.000 -0.101 0.000 0.975 251 Q CA 1.804 57.559 55.803 -0.079 0.000 0.866 251 Q CB -0.326 28.387 28.738 -0.041 0.000 0.915 251 Q HN 0.650 nan 8.270 nan 0.000 0.440 252 Q N 0.030 119.784 119.800 -0.076 0.000 2.212 252 Q HA 0.055 4.395 4.340 -0.000 0.000 0.199 252 Q C 0.287 176.230 176.000 -0.095 0.000 0.950 252 Q CA 0.914 56.675 55.803 -0.070 0.000 0.863 252 Q CB 0.430 29.143 28.738 -0.041 0.000 0.944 252 Q HN 0.037 nan 8.270 nan 0.000 0.465 253 K N 1.057 121.395 120.400 -0.103 0.000 2.920 253 K HA 0.266 4.585 4.320 -0.000 0.000 0.175 253 K C -2.715 173.805 176.600 -0.134 0.000 1.099 253 K CA -1.570 54.652 56.287 -0.109 0.000 0.939 253 K CB 1.753 34.215 32.500 -0.064 0.000 1.148 253 K HN 0.038 nan 8.250 nan 0.000 0.613 254 P HA 0.058 nan 4.420 nan 0.000 0.275 254 P C -0.447 176.799 177.300 -0.091 0.000 1.228 254 P CA -0.359 62.600 63.100 -0.235 0.000 0.786 254 P CB 1.288 32.656 31.700 -0.554 0.000 0.927 255 L N 3.841 125.061 121.223 -0.005 0.000 2.289 255 L HA 0.404 4.744 4.340 -0.000 0.000 0.285 255 L C -0.471 176.452 176.870 0.087 0.000 1.049 255 L CA -0.986 53.874 54.840 0.032 0.000 0.804 255 L CB 0.974 43.034 42.059 0.001 0.000 1.195 255 L HN 0.268 nan 8.230 nan 0.000 0.428 256 L N 4.922 126.169 121.223 0.040 0.000 2.427 256 L HA 0.570 4.909 4.340 -0.000 0.000 0.264 256 L C -0.323 176.392 176.870 -0.258 0.000 0.989 256 L CA -0.028 54.764 54.840 -0.079 0.000 0.865 256 L CB 1.464 43.444 42.059 -0.132 0.000 1.209 256 L HN 0.501 nan 8.230 nan 0.000 0.430 257 G N 5.802 114.403 108.800 -0.332 0.000 2.377 257 G HA2 0.551 4.511 3.960 -0.000 0.000 0.316 257 G HA3 0.551 4.511 3.960 -0.000 0.000 0.316 257 G C -0.950 173.322 174.900 -1.047 0.000 1.115 257 G CA -0.415 44.240 45.100 -0.742 0.000 0.952 257 G HN 0.515 nan 8.290 nan 0.000 0.441 258 L N 3.080 123.730 121.223 -0.955 0.000 2.283 258 L HA 0.343 4.682 4.340 -0.000 0.000 0.281 258 L C -0.105 176.393 176.870 -0.619 0.000 1.033 258 L CA -0.687 53.750 54.840 -0.672 0.000 0.848 258 L CB 0.804 42.540 42.059 -0.538 0.000 1.226 258 L HN 0.527 nan 8.230 nan 0.000 0.429 259 F N 1.753 121.654 119.950 -0.081 0.000 2.660 259 F HA 0.536 5.063 4.527 -0.000 0.000 0.302 259 F C 1.004 176.780 175.800 -0.040 0.000 1.103 259 F CA -0.354 57.612 58.000 -0.057 0.000 1.340 259 F CB 0.251 39.222 39.000 -0.050 0.000 1.048 259 F HN 0.467 nan 8.300 nan 0.000 0.551 260 A N -0.633 122.226 122.820 0.064 0.000 2.590 260 A HA 0.354 4.674 4.320 -0.000 0.000 0.294 260 A C 0.003 177.601 177.584 0.023 0.000 1.046 260 A CA -0.733 51.336 52.037 0.052 0.000 0.684 260 A CB 0.349 19.393 19.000 0.073 0.000 1.279 260 A HN -0.053 nan 8.150 nan 0.000 0.415 261 D N 0.651 121.068 120.400 0.029 0.000 2.084 261 D HA 0.029 4.668 4.640 -0.000 0.000 0.194 261 D C 1.473 177.806 176.300 0.056 0.000 0.990 261 D CA 2.504 56.526 54.000 0.036 0.000 0.826 261 D CB 0.026 40.847 40.800 0.036 0.000 0.971 261 D HN 0.731 nan 8.370 nan 0.000 0.453 262 G N 0.090 108.924 108.800 0.058 0.000 3.410 262 G HA2 0.134 4.094 3.960 -0.000 0.000 0.189 262 G HA3 0.134 4.094 3.960 -0.000 0.000 0.189 262 G C 0.145 175.085 174.900 0.066 0.000 1.404 262 G CA -0.380 44.764 45.100 0.073 0.000 0.898 262 G HN 0.016 nan 8.290 nan 0.000 0.650 263 N N 0.730 119.470 118.700 0.065 0.000 2.525 263 N HA 0.209 4.949 4.740 -0.000 0.000 0.271 263 N C 0.267 175.808 175.510 0.051 0.000 1.194 263 N CA 0.071 53.157 53.050 0.059 0.000 0.964 263 N CB 1.092 39.614 38.487 0.058 0.000 1.126 263 N HN 0.276 nan 8.380 nan 0.000 0.452 264 M N 1.492 121.122 119.600 0.049 0.000 2.232 264 M HA 0.142 4.622 4.480 -0.000 0.000 0.321 264 M C -1.854 174.461 176.300 0.025 0.000 1.101 264 M CA -0.997 54.329 55.300 0.044 0.000 1.181 264 M CB -0.202 32.423 32.600 0.041 0.000 1.432 264 M HN 0.205 nan 8.290 nan 0.000 0.457 265 P HA 0.072 nan 4.420 nan 0.000 0.266 265 P C -0.855 176.446 177.300 0.002 0.000 1.195 265 P CA -0.249 62.860 63.100 0.014 0.000 0.768 265 P CB 0.356 32.065 31.700 0.015 0.000 0.838 266 V N 4.017 123.936 119.914 0.008 0.000 2.775 266 V HA 0.082 4.202 4.120 -0.000 0.000 0.299 266 V C 2.040 178.139 176.094 0.008 0.000 1.062 266 V CA 0.079 62.377 62.300 -0.005 0.000 1.063 266 V CB 0.885 32.714 31.823 0.010 0.000 0.994 266 V HN 0.596 nan 8.190 nan 0.000 0.483 267 R N 2.256 122.732 120.500 -0.040 0.000 2.073 267 R HA -0.035 4.305 4.340 -0.000 0.000 0.229 267 R C -0.287 176.156 176.300 0.239 0.000 1.120 267 R CA 1.043 57.132 56.100 -0.020 0.000 0.967 267 R CB 0.208 30.347 30.300 -0.268 0.000 0.862 267 R HN 0.610 nan 8.270 nan 0.000 0.436 268 W N 0.500 121.791 121.300 -0.015 0.000 2.761 268 W HA 0.463 5.122 4.660 -0.001 0.000 0.340 268 W C -0.790 175.717 176.519 -0.020 0.000 1.072 268 W CA -0.987 56.349 57.345 -0.014 0.000 1.215 268 W CB 0.775 30.220 29.460 -0.024 0.000 1.420 268 W HN -0.085 nan 8.180 nan 0.000 0.519 269 L N 2.061 123.403 121.223 0.198 0.000 2.331 269 L HA 0.996 5.336 4.340 -0.000 0.000 0.275 269 L C 0.584 177.493 176.870 0.064 0.000 1.022 269 L CA -0.713 54.187 54.840 0.100 0.000 0.812 269 L CB 1.754 43.850 42.059 0.062 0.000 1.257 269 L HN 0.539 nan 8.230 nan 0.000 0.435 270 G N 1.356 110.183 108.800 0.044 0.000 2.579 270 G HA2 0.500 4.460 3.960 -0.000 0.000 0.292 270 G HA3 0.500 4.460 3.960 -0.000 0.000 0.292 270 G C -3.167 171.744 174.900 0.019 0.000 1.484 270 G CA -0.601 44.514 45.100 0.025 0.000 0.813 270 G HN 0.300 nan 8.290 nan 0.000 0.515 271 P HA 0.253 nan 4.420 nan 0.000 0.274 271 P C -0.366 176.939 177.300 0.008 0.000 1.237 271 P CA -0.326 62.782 63.100 0.014 0.000 0.793 271 P CB 1.471 33.182 31.700 0.019 0.000 0.977 272 K N 0.900 121.299 120.400 -0.002 0.000 2.258 272 K HA 0.386 4.706 4.320 -0.000 0.000 0.264 272 K C 0.100 176.697 176.600 -0.004 0.000 1.007 272 K CA -0.542 55.730 56.287 -0.024 0.000 0.941 272 K CB 0.336 32.819 32.500 -0.029 0.000 0.966 272 K HN 0.554 nan 8.250 nan 0.000 0.480 273 A N 1.915 124.722 122.820 -0.022 0.000 2.425 273 A HA 0.269 4.589 4.320 -0.000 0.000 0.242 273 A C -0.099 177.520 177.584 0.058 0.000 1.077 273 A CA 0.093 52.159 52.037 0.049 0.000 0.781 273 A CB 0.135 19.198 19.000 0.106 0.000 1.020 273 A HN 0.841 nan 8.150 nan 0.000 0.494 274 T N -1.424 113.184 114.554 0.090 0.000 2.887 274 T HA 0.488 4.838 4.350 -0.000 0.000 0.292 274 T C -0.588 174.199 174.700 0.145 0.000 1.087 274 T CA -0.559 61.605 62.100 0.106 0.000 1.009 274 T CB 0.693 69.613 68.868 0.088 0.000 1.203 274 T HN 0.638 nan 8.240 nan 0.000 0.518 275 Y N 2.004 122.325 120.300 0.035 0.000 2.650 275 Y HA 0.124 4.674 4.550 -0.000 0.000 0.331 275 Y C 1.379 177.328 175.900 0.081 0.000 1.165 275 Y CA 0.610 58.713 58.100 0.005 0.000 1.473 275 Y CB -0.999 37.409 38.460 -0.087 0.000 1.224 275 Y HN 1.004 nan 8.280 nan 0.000 0.533 276 H N 2.087 120.851 119.070 -0.510 0.000 2.861 276 H HA -0.229 4.327 4.556 -0.000 0.000 0.289 276 H C 1.516 176.754 175.328 -0.149 0.000 1.176 276 H CA 0.004 55.816 56.048 -0.393 0.000 1.146 276 H CB -1.025 28.434 29.762 -0.504 0.000 1.330 276 H HN 0.979 nan 8.280 nan 0.000 0.379 277 G N 1.237 110.064 108.800 0.044 0.000 2.450 277 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.220 277 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.220 277 G C 1.637 176.555 174.900 0.030 0.000 1.130 277 G CA 1.034 46.164 45.100 0.049 0.000 0.760 277 G HN 0.692 nan 8.290 nan 0.000 0.557 278 N N 1.336 120.045 118.700 0.015 0.000 2.396 278 N HA -0.052 4.688 4.740 -0.000 0.000 0.180 278 N C 2.164 177.661 175.510 -0.023 0.000 1.028 278 N CA 1.458 54.509 53.050 0.002 0.000 0.893 278 N CB -0.339 38.147 38.487 -0.001 0.000 0.967 278 N HN 0.627 nan 8.380 nan 0.000 0.440 279 I N -3.184 117.355 120.570 -0.052 0.000 3.339 279 I HA 0.204 4.373 4.170 -0.000 0.000 0.285 279 I C 0.819 176.915 176.117 -0.035 0.000 1.201 279 I CA 0.399 61.658 61.300 -0.068 0.000 1.434 279 I CB 0.066 37.978 38.000 -0.147 0.000 1.152 279 I HN -0.302 nan 8.210 nan 0.000 0.443 280 D N 2.016 122.409 120.400 -0.011 0.000 2.162 280 D HA 0.090 4.730 4.640 -0.000 0.000 0.205 280 D C 0.593 176.904 176.300 0.018 0.000 0.964 280 D CA 0.987 54.995 54.000 0.014 0.000 0.847 280 D CB 0.267 41.093 40.800 0.043 0.000 0.988 280 D HN 0.401 nan 8.370 nan 0.000 0.480 281 K N 0.811 121.224 120.400 0.021 0.000 2.123 281 K HA 0.439 4.759 4.320 -0.000 0.000 0.248 281 K C -2.406 174.205 176.600 0.018 0.000 0.969 281 K CA -1.651 54.650 56.287 0.023 0.000 0.882 281 K CB 1.137 33.655 32.500 0.031 0.000 1.080 281 K HN -0.160 nan 8.250 nan 0.000 0.441 282 P HA 0.052 nan 4.420 nan 0.000 0.274 282 P C -1.167 176.147 177.300 0.023 0.000 1.256 282 P CA -0.421 62.688 63.100 0.016 0.000 0.795 282 P CB 0.502 32.211 31.700 0.014 0.000 1.038 283 A N 1.030 123.864 122.820 0.023 0.000 2.462 283 A HA 0.323 4.643 4.320 -0.000 0.000 0.243 283 A C -0.054 177.556 177.584 0.042 0.000 1.076 283 A CA -0.148 51.910 52.037 0.036 0.000 0.773 283 A CB -0.246 18.773 19.000 0.032 0.000 1.010 283 A HN 0.352 nan 8.150 nan 0.000 0.493 284 V N 2.119 122.070 119.914 0.061 0.000 2.539 284 V HA 0.487 4.607 4.120 -0.000 0.000 0.292 284 V C 0.410 176.564 176.094 0.100 0.000 1.045 284 V CA -0.148 62.190 62.300 0.062 0.000 0.945 284 V CB 1.741 33.597 31.823 0.055 0.000 0.993 284 V HN 0.931 nan 8.190 nan 0.000 0.464 285 T N 3.144 117.739 114.554 0.070 0.000 2.815 285 T HA 0.286 4.636 4.350 -0.000 0.000 0.289 285 T C -0.188 174.528 174.700 0.028 0.000 1.000 285 T CA -0.332 61.823 62.100 0.091 0.000 0.958 285 T CB 0.708 69.588 68.868 0.020 0.000 0.944 285 T HN 0.756 nan 8.240 nan 0.000 0.442 286 c N 2.737 121.354 118.600 0.028 0.000 2.679 286 c HA 0.544 5.113 4.570 -0.000 0.000 0.417 286 c C 1.325 175.255 174.090 -0.266 0.000 1.302 286 c CA -0.378 55.861 56.329 -0.149 0.000 1.973 286 c CB -0.256 42.079 42.510 -0.291 0.000 2.715 286 c HN 0.878 nan 8.230 nan 0.000 0.628 287 T N 2.797 117.226 114.554 -0.209 0.000 2.876 287 T HA 0.493 4.843 4.350 -0.000 0.000 0.289 287 T C -2.834 171.777 174.700 -0.147 0.000 1.014 287 T CA -1.371 60.614 62.100 -0.191 0.000 0.986 287 T CB 1.309 70.128 68.868 -0.081 0.000 1.021 287 T HN 0.398 nan 8.240 nan 0.000 0.458 288 P HA 0.156 nan 4.420 nan 0.000 0.266 288 P C -0.748 176.607 177.300 0.091 0.000 1.195 288 P CA -0.271 62.868 63.100 0.064 0.000 0.768 288 P CB 0.308 32.041 31.700 0.055 0.000 0.838 289 N N 4.314 123.103 118.700 0.148 0.000 2.420 289 N HA 0.097 4.837 4.740 -0.000 0.000 0.262 289 N C -1.734 173.814 175.510 0.065 0.000 1.144 289 N CA -2.063 51.043 53.050 0.094 0.000 0.952 289 N CB 0.154 38.699 38.487 0.097 0.000 1.081 289 N HN 0.175 nan 8.380 nan 0.000 0.480 290 P HA -0.086 nan 4.420 nan 0.000 0.222 290 P C 0.571 177.887 177.300 0.028 0.000 1.147 290 P CA 1.181 64.300 63.100 0.031 0.000 0.790 290 P CB 0.269 31.982 31.700 0.022 0.000 0.780 291 Q N -0.266 119.552 119.800 0.030 0.000 2.291 291 Q HA -0.140 4.200 4.340 -0.000 0.000 0.205 291 Q C 2.228 178.241 176.000 0.022 0.000 0.970 291 Q CA 0.738 56.556 55.803 0.025 0.000 0.876 291 Q CB -0.505 28.249 28.738 0.026 0.000 0.935 291 Q HN 0.394 nan 8.270 nan 0.000 0.455 292 R N 1.198 121.714 120.500 0.027 0.000 2.115 292 R HA -0.166 4.174 4.340 -0.000 0.000 0.239 292 R C 0.156 176.457 176.300 0.002 0.000 1.133 292 R CA 1.485 57.596 56.100 0.019 0.000 0.935 292 R CB -0.474 29.847 30.300 0.035 0.000 0.853 292 R HN 0.049 nan 8.270 nan 0.000 0.433 293 N N 0.105 118.808 118.700 0.004 0.000 4.208 293 N HA -0.105 4.634 4.740 -0.000 0.000 0.319 293 N C -0.993 174.506 175.510 -0.018 0.000 2.217 293 N CA 0.664 53.711 53.050 -0.005 0.000 2.811 293 N CB -0.316 38.168 38.487 -0.006 0.000 0.338 293 N HN 0.440 nan 8.380 nan 0.000 0.599 294 D N 0.394 120.787 120.400 -0.012 0.000 2.309 294 D HA -0.102 4.538 4.640 -0.000 0.000 0.212 294 D C 1.667 177.949 176.300 -0.030 0.000 0.968 294 D CA 1.698 55.685 54.000 -0.022 0.000 0.882 294 D CB 0.157 40.948 40.800 -0.015 0.000 0.918 294 D HN 0.616 nan 8.370 nan 0.000 0.503 295 S N -0.199 115.489 115.700 -0.020 0.000 2.461 295 S HA -0.009 4.461 4.470 -0.000 0.000 0.228 295 S C 0.965 175.545 174.600 -0.033 0.000 1.005 295 S CA -0.110 58.082 58.200 -0.014 0.000 0.942 295 S CB 0.156 63.360 63.200 0.006 0.000 0.776 295 S HN -0.090 nan 8.310 nan 0.000 0.514 296 V N 5.167 125.048 119.914 -0.054 0.000 2.350 296 V HA 0.418 4.537 4.120 -0.000 0.000 0.276 296 V C -2.170 173.810 176.094 -0.189 0.000 1.028 296 V CA -2.228 60.008 62.300 -0.106 0.000 0.860 296 V CB 1.022 32.813 31.823 -0.054 0.000 0.990 296 V HN 0.318 nan 8.190 nan 0.000 0.453 297 P HA 0.150 nan 4.420 nan 0.000 0.271 297 P C 0.076 177.210 177.300 -0.277 0.000 1.218 297 P CA 0.063 62.954 63.100 -0.349 0.000 0.780 297 P CB 0.767 32.128 31.700 -0.566 0.000 0.901 298 T N -0.241 114.198 114.554 -0.193 0.000 2.816 298 T HA 0.117 4.467 4.350 -0.000 0.000 0.282 298 T C 1.286 175.891 174.700 -0.158 0.000 0.993 298 T CA -0.738 61.272 62.100 -0.150 0.000 0.994 298 T CB 0.375 69.175 68.868 -0.112 0.000 1.025 298 T HN 0.178 nan 8.240 nan 0.000 0.529 299 L N 1.313 122.456 121.223 -0.133 0.000 2.079 299 L HA 0.084 4.424 4.340 -0.000 0.000 0.210 299 L C 2.713 179.511 176.870 -0.120 0.000 1.081 299 L CA 2.317 57.084 54.840 -0.121 0.000 0.752 299 L CB -1.509 40.481 42.059 -0.115 0.000 0.896 299 L HN 0.935 nan 8.230 nan 0.000 0.433 300 A N -1.417 121.333 122.820 -0.116 0.000 1.930 300 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 300 A C 2.184 179.705 177.584 -0.106 0.000 1.175 300 A CA 1.625 53.599 52.037 -0.105 0.000 0.627 300 A CB -0.450 18.494 19.000 -0.092 0.000 0.815 300 A HN 0.638 nan 8.150 nan 0.000 0.443 301 Q N -0.927 118.802 119.800 -0.118 0.000 2.079 301 Q HA -0.075 4.265 4.340 -0.000 0.000 0.200 301 Q C 2.214 178.132 176.000 -0.136 0.000 0.974 301 Q CA 1.579 57.308 55.803 -0.124 0.000 0.840 301 Q CB -0.260 28.393 28.738 -0.141 0.000 0.898 301 Q HN 0.691 nan 8.270 nan 0.000 0.430 302 M N -0.187 119.320 119.600 -0.155 0.000 2.159 302 M HA -0.148 4.331 4.480 -0.000 0.000 0.263 302 M C 2.112 178.346 176.300 -0.109 0.000 1.063 302 M CA 1.315 56.537 55.300 -0.131 0.000 1.110 302 M CB -0.364 32.165 32.600 -0.118 0.000 1.374 302 M HN 0.187 nan 8.290 nan 0.000 0.411 303 T N -0.124 114.361 114.554 -0.114 0.000 2.746 303 T HA -0.160 4.189 4.350 -0.000 0.000 0.267 303 T C 1.317 175.929 174.700 -0.147 0.000 1.039 303 T CA 1.688 63.715 62.100 -0.122 0.000 1.142 303 T CB -0.342 68.461 68.868 -0.109 0.000 0.866 303 T HN 0.341 nan 8.240 nan 0.000 0.444 304 D N 0.452 120.775 120.400 -0.129 0.000 2.097 304 D HA -0.064 4.576 4.640 -0.000 0.000 0.195 304 D C 2.188 178.397 176.300 -0.152 0.000 0.989 304 D CA 0.965 54.886 54.000 -0.132 0.000 0.827 304 D CB -0.063 40.681 40.800 -0.094 0.000 0.966 304 D HN 0.082 nan 8.370 nan 0.000 0.456 305 K N 0.440 120.763 120.400 -0.129 0.000 2.057 305 K HA 0.007 4.327 4.320 -0.000 0.000 0.207 305 K C 1.787 178.291 176.600 -0.160 0.000 1.049 305 K CA 1.443 57.657 56.287 -0.120 0.000 0.931 305 K CB -0.681 31.768 32.500 -0.085 0.000 0.714 305 K HN 0.087 nan 8.250 nan 0.000 0.440 306 A N 0.814 123.530 122.820 -0.173 0.000 1.883 306 A HA -0.154 4.165 4.320 -0.000 0.000 0.217 306 A C 2.285 179.638 177.584 -0.386 0.000 1.186 306 A CA 1.931 53.832 52.037 -0.226 0.000 0.624 306 A CB -0.783 18.103 19.000 -0.190 0.000 0.822 306 A HN 0.350 nan 8.150 nan 0.000 0.444 307 I N -0.678 119.630 120.570 -0.438 0.000 2.208 307 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 307 I C 2.608 178.371 176.117 -0.590 0.000 1.097 307 I CA 1.842 62.730 61.300 -0.686 0.000 1.363 307 I CB -0.423 37.172 38.000 -0.676 0.000 1.051 307 I HN 0.568 nan 8.210 nan 0.000 0.413 308 E N 1.462 121.448 120.200 -0.357 0.000 2.038 308 E HA -0.235 4.114 4.350 -0.000 0.000 0.195 308 E C 2.378 178.857 176.600 -0.201 0.000 1.000 308 E CA 1.446 57.713 56.400 -0.222 0.000 0.803 308 E CB -0.040 29.576 29.700 -0.139 0.000 0.750 308 E HN 0.447 nan 8.360 nan 0.000 0.448 309 L N 0.230 121.328 121.223 -0.208 0.000 2.027 309 L HA -0.193 4.146 4.340 -0.000 0.000 0.206 309 L C 2.586 179.332 176.870 -0.206 0.000 1.074 309 L CA 0.446 55.187 54.840 -0.166 0.000 0.745 309 L CB -0.383 41.593 42.059 -0.138 0.000 0.898 309 L HN 0.234 nan 8.230 nan 0.000 0.433 310 L N 0.067 121.070 121.223 -0.367 0.000 2.131 310 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 310 L C 2.839 179.505 176.870 -0.340 0.000 1.092 310 L CA 1.910 56.466 54.840 -0.473 0.000 0.759 310 L CB -1.119 40.342 42.059 -0.997 0.000 0.903 310 L HN 0.363 nan 8.230 nan 0.000 0.435 311 S N -1.845 113.664 115.700 -0.318 0.000 2.474 311 S HA -0.106 4.364 4.470 -0.000 0.000 0.235 311 S C 1.802 176.459 174.600 0.095 0.000 0.997 311 S CA 0.357 58.583 58.200 0.043 0.000 0.949 311 S CB -0.253 62.995 63.200 0.080 0.000 0.766 311 S HN 0.283 nan 8.310 nan 0.000 0.517 312 K N 2.114 122.523 120.400 0.014 0.000 2.283 312 K HA 0.099 4.419 4.320 -0.000 0.000 0.202 312 K C 0.680 177.312 176.600 0.054 0.000 1.048 312 K CA 0.189 56.494 56.287 0.031 0.000 0.948 312 K CB -0.784 31.715 32.500 -0.002 0.000 0.742 312 K HN 0.454 nan 8.250 nan 0.000 0.458 313 N N 3.124 121.867 118.700 0.072 0.000 2.406 313 N HA -0.071 4.668 4.740 -0.000 0.000 0.265 313 N C 1.018 176.597 175.510 0.115 0.000 1.203 313 N CA 0.193 53.296 53.050 0.089 0.000 0.945 313 N CB 0.845 39.395 38.487 0.106 0.000 1.165 313 N HN 0.127 nan 8.380 nan 0.000 0.485 314 E N 3.938 124.188 120.200 0.083 0.000 2.209 314 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 314 E C 0.936 177.581 176.600 0.075 0.000 0.993 314 E CA 1.353 57.799 56.400 0.077 0.000 0.819 314 E CB -0.036 29.695 29.700 0.053 0.000 0.745 314 E HN 0.408 nan 8.360 nan 0.000 0.477 315 K N 0.846 121.290 120.400 0.073 0.000 2.155 315 K HA 0.062 4.382 4.320 -0.000 0.000 0.203 315 K C 0.689 177.330 176.600 0.069 0.000 1.052 315 K CA 1.124 57.447 56.287 0.061 0.000 0.948 315 K CB 0.023 32.556 32.500 0.056 0.000 0.728 315 K HN 0.411 nan 8.250 nan 0.000 0.448 316 G N -1.484 107.386 108.800 0.117 0.000 2.343 316 G HA2 0.199 4.159 3.960 -0.000 0.000 0.465 316 G HA3 0.199 4.159 3.960 -0.000 0.000 0.465 316 G C -1.265 173.767 174.900 0.221 0.000 1.282 316 G CA -0.566 44.602 45.100 0.113 0.000 0.996 316 G HN 0.331 nan 8.290 nan 0.000 0.521 317 F N -2.150 117.851 119.950 0.086 0.000 2.686 317 F HA 0.875 5.401 4.527 -0.001 0.000 0.311 317 F C -1.464 174.420 175.800 0.140 0.000 1.128 317 F CA -2.083 55.973 58.000 0.094 0.000 0.946 317 F CB 1.630 40.657 39.000 0.044 0.000 1.336 317 F HN 0.938 nan 8.300 nan 0.000 0.457 318 F N 3.571 123.698 119.950 0.295 0.000 2.493 318 F HA 0.809 5.335 4.527 -0.001 0.000 0.329 318 F C -2.099 173.874 175.800 0.288 0.000 1.126 318 F CA -1.209 56.901 58.000 0.183 0.000 0.937 318 F CB 1.791 40.848 39.000 0.095 0.000 1.146 318 F HN 0.729 nan 8.300 nan 0.000 0.442 319 L N 6.069 126.954 121.223 -0.563 0.000 2.438 319 L HA 0.500 4.840 4.340 -0.000 0.000 0.270 319 L C -1.545 174.951 176.870 -0.623 0.000 0.972 319 L CA -0.248 54.360 54.840 -0.386 0.000 0.831 319 L CB 2.004 44.037 42.059 -0.043 0.000 1.273 319 L HN 0.756 nan 8.230 nan 0.000 0.405 320 Q N 3.732 123.294 119.800 -0.396 0.000 2.322 320 Q HA 0.742 5.081 4.340 -0.000 0.000 0.265 320 Q C -1.875 174.073 176.000 -0.087 0.000 0.985 320 Q CA -0.717 54.962 55.803 -0.208 0.000 0.849 320 Q CB 1.929 30.700 28.738 0.054 0.000 1.274 320 Q HN 0.643 nan 8.270 nan 0.000 0.449 321 V N 3.686 123.544 119.914 -0.093 0.000 2.540 321 V HA 0.462 4.581 4.120 -0.000 0.000 0.302 321 V C -0.671 175.390 176.094 -0.056 0.000 1.035 321 V CA -0.702 61.557 62.300 -0.069 0.000 0.873 321 V CB 1.748 33.516 31.823 -0.092 0.000 0.992 321 V HN 0.806 nan 8.190 nan 0.000 0.428 322 E N 2.707 122.890 120.200 -0.028 0.000 2.224 322 E HA 0.530 4.880 4.350 -0.000 0.000 0.265 322 E C -0.179 176.399 176.600 -0.036 0.000 0.878 322 E CA -0.629 55.760 56.400 -0.019 0.000 0.759 322 E CB 2.036 31.760 29.700 0.041 0.000 1.164 322 E HN 0.858 nan 8.360 nan 0.000 0.414 323 G N 3.061 111.823 108.800 -0.063 0.000 2.807 323 G HA2 0.377 4.337 3.960 -0.000 0.000 0.316 323 G HA3 0.377 4.337 3.960 -0.000 0.000 0.316 323 G C 0.646 175.519 174.900 -0.047 0.000 0.900 323 G CA 0.310 45.364 45.100 -0.077 0.000 1.499 323 G HN 0.557 nan 8.290 nan 0.000 0.484 324 A N 2.303 125.114 122.820 -0.015 0.000 1.872 324 A HA 0.011 4.331 4.320 -0.000 0.000 0.214 324 A C 2.511 180.112 177.584 0.027 0.000 1.187 324 A CA 1.773 53.823 52.037 0.021 0.000 0.614 324 A CB -0.313 18.714 19.000 0.044 0.000 0.826 324 A HN 0.503 nan 8.150 nan 0.000 0.442 325 S N -0.002 115.701 115.700 0.006 0.000 2.537 325 S HA -0.033 4.436 4.470 -0.000 0.000 0.240 325 S C 1.529 176.121 174.600 -0.014 0.000 0.981 325 S CA 0.823 59.028 58.200 0.008 0.000 0.948 325 S CB -0.582 62.614 63.200 -0.007 0.000 0.759 325 S HN 0.525 nan 8.310 nan 0.000 0.531 326 I N 1.450 121.996 120.570 -0.039 0.000 2.179 326 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 326 I C 2.398 178.479 176.117 -0.060 0.000 1.088 326 I CA 1.650 62.911 61.300 -0.065 0.000 1.357 326 I CB -0.366 37.585 38.000 -0.082 0.000 1.051 326 I HN 0.293 nan 8.210 nan 0.000 0.409 327 D N 0.966 121.370 120.400 0.008 0.000 2.084 327 D HA -0.197 4.442 4.640 -0.000 0.000 0.196 327 D C 2.165 178.545 176.300 0.134 0.000 0.985 327 D CA 1.496 55.550 54.000 0.091 0.000 0.826 327 D CB 0.099 41.040 40.800 0.235 0.000 0.978 327 D HN 0.127 nan 8.370 nan 0.000 0.456 328 K N -0.397 120.129 120.400 0.211 0.000 2.063 328 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 328 K C 2.328 179.006 176.600 0.130 0.000 1.048 328 K CA 1.096 57.531 56.287 0.247 0.000 0.928 328 K CB -0.064 32.527 32.500 0.152 0.000 0.713 328 K HN 0.240 nan 8.250 nan 0.000 0.442 329 Q N 0.727 120.543 119.800 0.026 0.000 2.172 329 Q HA -0.123 4.217 4.340 -0.000 0.000 0.200 329 Q C 1.702 177.648 176.000 -0.090 0.000 0.964 329 Q CA 1.075 56.863 55.803 -0.024 0.000 0.855 329 Q CB -0.151 28.567 28.738 -0.032 0.000 0.918 329 Q HN 0.345 nan 8.270 nan 0.000 0.444 330 D N -0.058 120.233 120.400 -0.182 0.000 2.117 330 D HA -0.162 4.477 4.640 -0.000 0.000 0.198 330 D C 1.694 177.837 176.300 -0.262 0.000 0.982 330 D CA 0.860 54.668 54.000 -0.319 0.000 0.828 330 D CB 0.222 40.464 40.800 -0.931 0.000 0.967 330 D HN 0.316 nan 8.370 nan 0.000 0.464 331 H N 0.129 119.137 119.070 -0.104 0.000 2.353 331 H HA -0.030 4.526 4.556 -0.000 0.000 0.300 331 H C 1.620 176.929 175.328 -0.031 0.000 1.090 331 H CA 1.363 57.463 56.048 0.086 0.000 1.327 331 H CB -0.154 29.707 29.762 0.165 0.000 1.383 331 H HN 0.121 nan 8.280 nan 0.000 0.508 332 A N 0.422 123.271 122.820 0.049 0.000 2.252 332 A HA 0.378 4.697 4.320 -0.000 0.000 0.207 332 A C 1.445 178.908 177.584 -0.201 0.000 1.194 332 A CA 0.741 52.751 52.037 -0.044 0.000 0.809 332 A CB -0.511 18.477 19.000 -0.019 0.000 0.814 332 A HN 0.443 nan 8.150 nan 0.000 0.482 333 A N -0.016 122.543 122.820 -0.435 0.000 2.687 333 A HA -0.192 4.127 4.320 -0.000 0.000 0.299 333 A C 0.239 177.455 177.584 -0.614 0.000 1.497 333 A CA 0.942 52.370 52.037 -1.014 0.000 0.751 333 A CB -2.257 16.314 19.000 -0.715 0.000 1.048 333 A HN 0.650 nan 8.150 nan 0.000 0.464 334 N N -0.472 118.025 118.700 -0.339 0.000 2.626 334 N HA 0.412 5.152 4.740 -0.000 0.000 0.242 334 N C -1.823 173.679 175.510 -0.015 0.000 1.005 334 N CA -1.813 51.166 53.050 -0.119 0.000 0.905 334 N CB 1.323 39.770 38.487 -0.065 0.000 1.128 334 N HN 0.049 nan 8.380 nan 0.000 0.512 335 P HA -0.092 nan 4.420 nan 0.000 0.214 335 P C 1.288 178.603 177.300 0.024 0.000 1.163 335 P CA 1.139 64.305 63.100 0.111 0.000 0.889 335 P CB 0.383 32.152 31.700 0.116 0.000 0.790 336 c N -1.125 117.481 118.600 0.009 0.000 2.429 336 c HA -0.049 4.521 4.570 -0.000 0.000 0.277 336 c C 2.954 177.111 174.090 0.113 0.000 1.262 336 c CA 1.573 57.933 56.329 0.051 0.000 1.733 336 c CB -2.026 40.518 42.510 0.058 0.000 2.010 336 c HN 0.322 nan 8.230 nan 0.000 0.483 337 G N -0.780 108.054 108.800 0.057 0.000 2.404 337 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.215 337 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.215 337 G C 1.555 176.433 174.900 -0.035 0.000 1.174 337 G CA 0.912 46.025 45.100 0.023 0.000 0.780 337 G HN 0.671 nan 8.290 nan 0.000 0.537 338 Q N -0.038 119.746 119.800 -0.026 0.000 2.002 338 Q HA -0.103 4.237 4.340 -0.000 0.000 0.204 338 Q C 2.599 178.552 176.000 -0.079 0.000 0.988 338 Q CA 1.451 57.227 55.803 -0.045 0.000 0.843 338 Q CB -0.253 28.487 28.738 0.002 0.000 0.908 338 Q HN 0.530 nan 8.270 nan 0.000 0.420 339 I N 0.445 120.982 120.570 -0.055 0.000 2.163 339 I HA -0.227 3.943 4.170 -0.000 0.000 0.243 339 I C 2.413 178.362 176.117 -0.281 0.000 1.085 339 I CA 1.155 62.412 61.300 -0.072 0.000 1.347 339 I CB -0.773 37.221 38.000 -0.010 0.000 1.044 339 I HN 0.427 nan 8.210 nan 0.000 0.408 340 G N 0.491 109.042 108.800 -0.415 0.000 2.469 340 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.219 340 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.219 340 G C 1.506 175.999 174.900 -0.679 0.000 1.150 340 G CA 0.629 45.098 45.100 -1.051 0.000 0.763 340 G HN 0.308 nan 8.290 nan 0.000 0.561 341 E N 0.392 120.370 120.200 -0.371 0.000 2.274 341 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 341 E C 2.685 179.122 176.600 -0.272 0.000 0.996 341 E CA 1.076 57.313 56.400 -0.271 0.000 0.840 341 E CB -0.519 29.081 29.700 -0.167 0.000 0.772 341 E HN 0.392 nan 8.360 nan 0.000 0.491 342 T N 0.669 115.058 114.554 -0.276 0.000 2.896 342 T HA -0.037 4.313 4.350 -0.000 0.000 0.263 342 T C 2.161 176.619 174.700 -0.403 0.000 1.050 342 T CA 0.717 62.644 62.100 -0.289 0.000 1.140 342 T CB -0.085 68.666 68.868 -0.195 0.000 0.877 342 T HN -0.030 nan 8.240 nan 0.000 0.457 343 V N 1.941 121.626 119.914 -0.380 0.000 2.358 343 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 343 V C 2.415 178.316 176.094 -0.321 0.000 1.047 343 V CA 1.872 63.973 62.300 -0.333 0.000 1.035 343 V CB -0.594 31.018 31.823 -0.351 0.000 0.658 343 V HN 0.454 nan 8.190 nan 0.000 0.452 344 D N -0.097 120.096 120.400 -0.346 0.000 2.104 344 D HA -0.202 4.438 4.640 -0.000 0.000 0.194 344 D C 1.957 178.120 176.300 -0.229 0.000 0.994 344 D CA 1.377 55.220 54.000 -0.262 0.000 0.830 344 D CB -0.138 40.508 40.800 -0.256 0.000 0.959 344 D HN 0.291 nan 8.370 nan 0.000 0.452 345 L N 0.529 121.599 121.223 -0.255 0.000 2.046 345 L HA -0.089 4.250 4.340 -0.000 0.000 0.208 345 L C 1.718 178.431 176.870 -0.262 0.000 1.077 345 L CA 2.062 56.760 54.840 -0.236 0.000 0.747 345 L CB -0.905 41.010 42.059 -0.240 0.000 0.896 345 L HN 0.061 nan 8.230 nan 0.000 0.432 346 D N -0.789 119.398 120.400 -0.356 0.000 2.149 346 D HA -0.248 4.392 4.640 -0.000 0.000 0.198 346 D C 1.946 178.112 176.300 -0.223 0.000 0.990 346 D CA 1.625 55.401 54.000 -0.374 0.000 0.839 346 D CB 0.005 40.462 40.800 -0.572 0.000 0.948 346 D HN 0.566 nan 8.370 nan 0.000 0.460 347 E N -0.273 119.819 120.200 -0.180 0.000 2.072 347 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 347 E C 2.173 178.705 176.600 -0.114 0.000 0.985 347 E CA 0.878 57.206 56.400 -0.119 0.000 0.801 347 E CB -0.162 29.478 29.700 -0.100 0.000 0.750 347 E HN 0.403 nan 8.360 nan 0.000 0.452 348 A N 0.950 123.691 122.820 -0.131 0.000 1.930 348 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 348 A C 2.475 179.994 177.584 -0.108 0.000 1.175 348 A CA 1.019 52.987 52.037 -0.116 0.000 0.627 348 A CB -0.527 18.398 19.000 -0.124 0.000 0.815 348 A HN 0.109 nan 8.150 nan 0.000 0.443 349 V N 0.062 119.898 119.914 -0.131 0.000 2.407 349 V HA -0.311 3.808 4.120 -0.000 0.000 0.248 349 V C 2.591 178.627 176.094 -0.096 0.000 1.055 349 V CA 2.155 64.383 62.300 -0.120 0.000 1.049 349 V CB -0.951 30.780 31.823 -0.154 0.000 0.662 349 V HN 0.633 nan 8.190 nan 0.000 0.455 350 Q N -0.459 119.282 119.800 -0.098 0.000 2.084 350 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 350 Q C 2.575 178.548 176.000 -0.044 0.000 0.978 350 Q CA 1.214 56.972 55.803 -0.074 0.000 0.844 350 Q CB -0.228 28.471 28.738 -0.066 0.000 0.898 350 Q HN 0.503 nan 8.270 nan 0.000 0.426 351 R N 0.393 120.868 120.500 -0.041 0.000 2.081 351 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 351 R C 2.153 178.469 176.300 0.026 0.000 1.131 351 R CA 1.340 57.431 56.100 -0.015 0.000 0.960 351 R CB -0.885 29.390 30.300 -0.042 0.000 0.856 351 R HN 0.270 nan 8.270 nan 0.000 0.436 352 A N 1.097 123.922 122.820 0.009 0.000 1.902 352 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 352 A C 2.201 179.849 177.584 0.106 0.000 1.181 352 A CA 1.024 53.101 52.037 0.066 0.000 0.623 352 A CB -0.479 18.532 19.000 0.019 0.000 0.818 352 A HN 0.139 nan 8.150 nan 0.000 0.443 353 L N -0.290 120.937 121.223 0.006 0.000 2.093 353 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 353 L C 2.304 179.138 176.870 -0.061 0.000 1.085 353 L CA 2.325 57.118 54.840 -0.079 0.000 0.755 353 L CB -0.757 41.206 42.059 -0.159 0.000 0.904 353 L HN 0.538 nan 8.230 nan 0.000 0.435 354 E N -0.923 119.277 120.200 -0.000 0.000 2.031 354 E HA -0.302 4.048 4.350 -0.000 0.000 0.193 354 E C 2.146 178.789 176.600 0.072 0.000 0.994 354 E CA 1.675 58.087 56.400 0.020 0.000 0.800 354 E CB -0.492 29.231 29.700 0.038 0.000 0.752 354 E HN 0.388 nan 8.360 nan 0.000 0.447 355 F N 0.679 120.630 119.950 0.001 0.000 2.102 355 F HA -0.142 4.384 4.527 -0.001 0.000 0.298 355 F C 2.039 177.874 175.800 0.059 0.000 1.105 355 F CA 1.889 59.911 58.000 0.036 0.000 1.239 355 F CB -0.777 38.257 39.000 0.058 0.000 0.991 355 F HN 0.107 nan 8.300 nan 0.000 0.474 356 A N 0.333 123.191 122.820 0.063 0.000 1.908 356 A HA -0.269 4.050 4.320 -0.000 0.000 0.218 356 A C 2.346 179.947 177.584 0.029 0.000 1.181 356 A CA 2.003 54.054 52.037 0.024 0.000 0.627 356 A CB -0.948 18.183 19.000 0.217 0.000 0.818 356 A HN 0.518 nan 8.150 nan 0.000 0.445 357 K N -0.168 120.237 120.400 0.008 0.000 2.057 357 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 357 K C 2.198 178.786 176.600 -0.019 0.000 1.049 357 K CA 1.784 58.091 56.287 0.033 0.000 0.931 357 K CB -0.171 32.294 32.500 -0.058 0.000 0.714 357 K HN 0.500 nan 8.250 nan 0.000 0.440 358 K N 0.691 121.031 120.400 -0.099 0.000 2.007 358 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 358 K C 2.065 178.555 176.600 -0.184 0.000 1.047 358 K CA 1.735 57.950 56.287 -0.121 0.000 0.937 358 K CB -0.097 32.335 32.500 -0.114 0.000 0.718 358 K HN 0.043 nan 8.250 nan 0.000 0.438 359 E N -0.150 119.828 120.200 -0.371 0.000 2.058 359 E HA -0.159 4.190 4.350 -0.000 0.000 0.194 359 E C 1.211 177.701 176.600 -0.183 0.000 0.997 359 E CA 2.301 58.475 56.400 -0.377 0.000 0.801 359 E CB -0.453 28.812 29.700 -0.725 0.000 0.746 359 E HN 0.575 nan 8.360 nan 0.000 0.450 360 G N -0.434 108.290 108.800 -0.128 0.000 2.205 360 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.261 360 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.261 360 G C 0.617 175.471 174.900 -0.077 0.000 0.980 360 G CA 0.516 45.574 45.100 -0.070 0.000 0.632 360 G HN 0.394 nan 8.290 nan 0.000 0.533 361 N N 0.595 119.243 118.700 -0.088 0.000 2.433 361 N HA 0.173 4.913 4.740 -0.000 0.000 0.270 361 N C -0.588 174.878 175.510 -0.074 0.000 1.354 361 N CA 0.239 53.246 53.050 -0.071 0.000 0.889 361 N CB 1.190 39.644 38.487 -0.055 0.000 1.285 361 N HN 0.285 nan 8.380 nan 0.000 0.503 362 T N 1.458 115.973 114.554 -0.065 0.000 2.807 362 T HA 0.340 4.689 4.350 -0.000 0.000 0.279 362 T C -0.382 174.314 174.700 -0.006 0.000 0.993 362 T CA -0.449 61.629 62.100 -0.038 0.000 0.970 362 T CB 2.081 70.968 68.868 0.032 0.000 0.950 362 T HN 0.019 nan 8.240 nan 0.000 0.441 363 L N 5.241 126.451 121.223 -0.022 0.000 2.264 363 L HA 0.653 4.992 4.340 -0.000 0.000 0.289 363 L C -0.948 175.939 176.870 0.027 0.000 1.044 363 L CA -0.282 54.556 54.840 -0.003 0.000 0.807 363 L CB 0.664 42.716 42.059 -0.012 0.000 1.192 363 L HN 0.425 nan 8.230 nan 0.000 0.425 364 V N 6.929 126.891 119.914 0.080 0.000 2.417 364 V HA 0.530 4.649 4.120 -0.000 0.000 0.291 364 V C 0.028 176.138 176.094 0.027 0.000 1.024 364 V CA -0.423 61.916 62.300 0.066 0.000 0.861 364 V CB 1.540 33.436 31.823 0.122 0.000 0.985 364 V HN 0.640 nan 8.190 nan 0.000 0.436 365 I N 4.560 125.109 120.570 -0.035 0.000 2.498 365 I HA 0.591 4.761 4.170 -0.000 0.000 0.290 365 I C -0.933 175.110 176.117 -0.123 0.000 1.032 365 I CA -0.880 60.374 61.300 -0.076 0.000 1.073 365 I CB 2.377 40.320 38.000 -0.096 0.000 1.251 365 I HN 0.263 nan 8.210 nan 0.000 0.426 366 V N 4.626 124.459 119.914 -0.134 0.000 2.483 366 V HA 0.681 4.800 4.120 -0.000 0.000 0.297 366 V C -0.175 175.802 176.094 -0.195 0.000 1.027 366 V CA -0.207 61.998 62.300 -0.160 0.000 0.855 366 V CB 1.726 33.471 31.823 -0.131 0.000 0.995 366 V HN 0.906 nan 8.190 nan 0.000 0.424 367 T N 2.990 117.404 114.554 -0.232 0.000 2.637 367 T HA 0.858 5.208 4.350 -0.000 0.000 0.303 367 T C -1.425 173.156 174.700 -0.199 0.000 1.288 367 T CA 0.349 62.300 62.100 -0.248 0.000 1.040 367 T CB 1.916 70.548 68.868 -0.394 0.000 1.644 367 T HN 1.079 nan 8.240 nan 0.000 0.480 368 A N 0.454 123.199 122.820 -0.126 0.000 2.479 368 A HA 0.675 4.995 4.320 -0.000 0.000 0.296 368 A C 0.509 178.087 177.584 -0.011 0.000 1.121 368 A CA 0.022 51.993 52.037 -0.109 0.000 0.743 368 A CB 1.304 20.232 19.000 -0.120 0.000 1.323 368 A HN 0.876 nan 8.150 nan 0.000 0.415 369 D N -0.278 120.073 120.400 -0.082 0.000 2.162 369 D HA 0.080 4.720 4.640 -0.000 0.000 0.203 369 D C 0.475 176.650 176.300 -0.209 0.000 0.967 369 D CA 1.999 56.052 54.000 0.089 0.000 0.840 369 D CB -0.314 40.608 40.800 0.204 0.000 0.972 369 D HN 0.812 nan 8.370 nan 0.000 0.482 370 H N -2.555 116.328 119.070 -0.312 0.000 2.967 370 H HA 0.715 5.271 4.556 -0.001 0.000 0.318 370 H C -1.306 173.821 175.328 -0.335 0.000 1.375 370 H CA -0.916 54.714 56.048 -0.697 0.000 1.132 370 H CB 0.772 30.244 29.762 -0.485 0.000 1.848 370 H HN 0.088 nan 8.280 nan 0.000 0.524 371 A N 0.707 123.530 122.820 0.004 0.000 2.287 371 A HA 0.473 4.793 4.320 -0.000 0.000 0.273 371 A C -0.435 177.253 177.584 0.173 0.000 1.091 371 A CA -0.246 51.867 52.037 0.127 0.000 0.817 371 A CB 0.367 19.490 19.000 0.206 0.000 1.069 371 A HN 0.766 nan 8.150 nan 0.000 0.492 372 H N -1.071 118.062 119.070 0.104 0.000 3.160 372 H HA 0.654 5.210 4.556 -0.001 0.000 0.297 372 H C 1.212 176.600 175.328 0.100 0.000 1.605 372 H CA 0.195 56.304 56.048 0.101 0.000 1.418 372 H CB 1.881 31.664 29.762 0.034 0.000 1.846 372 H HN 0.595 nan 8.280 nan 0.000 0.754 373 A N 0.191 123.311 122.820 0.501 0.000 1.903 373 A HA -0.000 4.320 4.320 -0.000 0.000 0.213 373 A C 0.812 178.444 177.584 0.080 0.000 1.185 373 A CA 0.826 53.038 52.037 0.292 0.000 0.628 373 A CB -0.781 18.454 19.000 0.392 0.000 0.830 373 A HN 0.604 nan 8.150 nan 0.000 0.446 374 S N 0.449 116.118 115.700 -0.052 0.000 2.573 374 S HA 0.243 4.712 4.470 -0.000 0.000 0.297 374 S C -0.282 174.190 174.600 -0.213 0.000 1.280 374 S CA -0.007 57.947 58.200 -0.410 0.000 1.061 374 S CB 0.203 63.162 63.200 -0.402 0.000 0.812 374 S HN 0.528 nan 8.310 nan 0.000 0.500 375 Q N 1.495 121.142 119.800 -0.254 0.000 2.397 375 Q HA 0.524 4.864 4.340 -0.000 0.000 0.275 375 Q C -0.931 175.004 176.000 -0.108 0.000 1.090 375 Q CA -0.651 55.082 55.803 -0.116 0.000 0.809 375 Q CB 2.247 30.945 28.738 -0.067 0.000 1.362 375 Q HN 0.737 nan 8.270 nan 0.000 0.431 376 I N 2.761 123.301 120.570 -0.050 0.000 2.325 376 I HA 0.322 4.491 4.170 -0.000 0.000 0.291 376 I C 0.043 176.151 176.117 -0.015 0.000 1.019 376 I CA -0.661 60.624 61.300 -0.026 0.000 1.302 376 I CB 0.768 38.768 38.000 -0.000 0.000 1.401 376 I HN 0.323 nan 8.210 nan 0.000 0.485 377 V N 3.064 122.971 119.914 -0.012 0.000 3.126 377 V HA 0.840 4.960 4.120 -0.000 0.000 0.314 377 V C 0.274 176.367 176.094 -0.000 0.000 1.138 377 V CA -1.130 61.167 62.300 -0.005 0.000 1.034 377 V CB 1.523 33.343 31.823 -0.005 0.000 1.075 377 V HN 0.753 nan 8.190 nan 0.000 0.442 378 A N 1.577 124.396 122.820 -0.001 0.000 2.531 378 A HA 0.449 4.769 4.320 -0.000 0.000 0.236 378 A C -1.239 176.342 177.584 -0.006 0.000 1.062 378 A CA -0.191 51.844 52.037 -0.003 0.000 0.760 378 A CB -0.589 18.409 19.000 -0.005 0.000 0.995 378 A HN 0.862 nan 8.150 nan 0.000 0.501 379 P HA -0.173 nan 4.420 nan 0.000 0.216 379 P C 0.582 177.869 177.300 -0.021 0.000 1.153 379 P CA 1.735 64.831 63.100 -0.008 0.000 0.858 379 P CB 0.031 31.727 31.700 -0.006 0.000 0.789 380 D N -2.094 118.290 120.400 -0.026 0.000 2.352 380 D HA -0.006 4.633 4.640 -0.000 0.000 0.236 380 D C -0.297 175.972 176.300 -0.052 0.000 1.148 380 D CA 0.176 54.151 54.000 -0.042 0.000 0.844 380 D CB -1.037 39.742 40.800 -0.035 0.000 0.933 380 D HN 0.032 nan 8.370 nan 0.000 0.507 381 T N 0.981 115.510 114.554 -0.042 0.000 2.870 381 T HA 0.116 4.466 4.350 -0.000 0.000 0.300 381 T C 0.342 175.001 174.700 -0.070 0.000 0.989 381 T CA -0.155 61.923 62.100 -0.038 0.000 1.139 381 T CB 1.258 70.118 68.868 -0.013 0.000 0.920 381 T HN 0.006 nan 8.240 nan 0.000 0.537 382 K N 2.629 122.988 120.400 -0.069 0.000 2.354 382 K HA 0.555 4.875 4.320 -0.000 0.000 0.257 382 K C -0.285 176.338 176.600 0.039 0.000 1.062 382 K CA -0.389 55.837 56.287 -0.103 0.000 0.971 382 K CB 0.991 33.414 32.500 -0.127 0.000 1.305 382 K HN 0.672 nan 8.250 nan 0.000 0.449 383 A N 3.037 125.907 122.820 0.083 0.000 2.294 383 A HA 0.495 4.815 4.320 -0.000 0.000 0.330 383 A C -1.687 176.029 177.584 0.220 0.000 1.133 383 A CA -1.308 50.807 52.037 0.129 0.000 0.836 383 A CB 0.450 19.509 19.000 0.098 0.000 1.190 383 A HN 0.467 nan 8.150 nan 0.000 0.492 384 P HA 0.072 nan 4.420 nan 0.000 0.236 384 P C 0.841 178.315 177.300 0.290 0.000 1.177 384 P CA 1.170 64.442 63.100 0.287 0.000 0.773 384 P CB 0.380 32.179 31.700 0.166 0.000 0.878 385 G N 0.450 109.395 108.800 0.241 0.000 2.945 385 G HA2 0.475 4.435 3.960 -0.000 0.000 0.156 385 G HA3 0.475 4.435 3.960 -0.000 0.000 0.156 385 G C -0.758 174.297 174.900 0.258 0.000 1.375 385 G CA -0.341 44.895 45.100 0.226 0.000 1.039 385 G HN -0.077 nan 8.290 nan 0.000 0.586 386 L N 1.501 122.866 121.223 0.235 0.000 2.289 386 L HA 0.571 4.911 4.340 -0.000 0.000 0.285 386 L C 0.502 177.527 176.870 0.257 0.000 1.049 386 L CA -0.407 54.569 54.840 0.227 0.000 0.804 386 L CB 0.339 42.506 42.059 0.180 0.000 1.195 386 L HN 0.737 nan 8.230 nan 0.000 0.428 387 T N 0.673 115.340 114.554 0.188 0.000 2.883 387 T HA 0.749 5.099 4.350 -0.000 0.000 0.296 387 T C -0.791 173.987 174.700 0.130 0.000 1.117 387 T CA -0.839 61.354 62.100 0.155 0.000 1.006 387 T CB 2.865 71.786 68.868 0.089 0.000 1.191 387 T HN 0.535 nan 8.240 nan 0.000 0.508 388 Q N -0.009 119.861 119.800 0.116 0.000 2.403 388 Q HA 0.598 4.938 4.340 -0.000 0.000 0.267 388 Q C -1.950 174.096 176.000 0.077 0.000 0.991 388 Q CA -0.905 54.954 55.803 0.094 0.000 0.906 388 Q CB 2.076 30.882 28.738 0.113 0.000 1.422 388 Q HN 1.176 nan 8.270 nan 0.000 0.400 389 A N 3.890 126.748 122.820 0.062 0.000 2.301 389 A HA 0.779 5.099 4.320 -0.000 0.000 0.312 389 A C -1.163 176.470 177.584 0.080 0.000 1.182 389 A CA -0.390 51.682 52.037 0.059 0.000 0.826 389 A CB 0.496 19.519 19.000 0.039 0.000 1.134 389 A HN 0.641 nan 8.150 nan 0.000 0.501 390 L N 1.890 123.178 121.223 0.108 0.000 2.381 390 L HA 0.359 4.699 4.340 -0.000 0.000 0.268 390 L C -0.342 176.629 176.870 0.168 0.000 0.997 390 L CA -0.559 54.386 54.840 0.176 0.000 0.818 390 L CB 2.246 44.456 42.059 0.252 0.000 1.310 390 L HN 0.771 nan 8.230 nan 0.000 0.416 391 N N 0.929 119.723 118.700 0.157 0.000 2.406 391 N HA 0.264 5.004 4.740 -0.000 0.000 0.251 391 N C -0.140 175.307 175.510 -0.105 0.000 1.069 391 N CA -0.305 52.764 53.050 0.032 0.000 0.947 391 N CB 0.983 39.471 38.487 0.002 0.000 1.111 391 N HN 0.658 nan 8.380 nan 0.000 0.497 392 T N -0.888 113.579 114.554 -0.145 0.000 2.824 392 T HA 0.158 4.508 4.350 -0.000 0.000 0.277 392 T C 1.270 175.770 174.700 -0.332 0.000 0.975 392 T CA -0.577 61.322 62.100 -0.334 0.000 0.966 392 T CB 1.136 69.926 68.868 -0.129 0.000 1.054 392 T HN 0.288 nan 8.240 nan 0.000 0.533 393 K N 0.043 120.234 120.400 -0.349 0.000 2.280 393 K HA -0.088 4.232 4.320 -0.000 0.000 0.202 393 K C 1.332 177.850 176.600 -0.137 0.000 1.047 393 K CA 1.425 57.576 56.287 -0.227 0.000 0.942 393 K CB -0.581 31.814 32.500 -0.175 0.000 0.739 393 K HN 0.589 nan 8.250 nan 0.000 0.457 394 D N -0.417 119.913 120.400 -0.116 0.000 2.363 394 D HA 0.058 4.697 4.640 -0.000 0.000 0.220 394 D C 0.767 177.028 176.300 -0.066 0.000 0.994 394 D CA 1.076 55.032 54.000 -0.074 0.000 0.890 394 D CB 0.198 40.965 40.800 -0.055 0.000 0.906 394 D HN 0.440 nan 8.370 nan 0.000 0.530 395 G N 0.452 109.204 108.800 -0.081 0.000 2.147 395 G HA2 -0.135 3.824 3.960 -0.000 0.000 0.244 395 G HA3 -0.135 3.824 3.960 -0.000 0.000 0.244 395 G C 0.328 175.201 174.900 -0.045 0.000 1.005 395 G CA 0.363 45.425 45.100 -0.062 0.000 0.713 395 G HN 0.640 nan 8.290 nan 0.000 0.515 396 A N -1.283 121.511 122.820 -0.043 0.000 2.387 396 A HA 0.918 5.238 4.320 -0.000 0.000 0.303 396 A C -0.084 177.493 177.584 -0.012 0.000 1.145 396 A CA -0.298 51.725 52.037 -0.024 0.000 0.801 396 A CB 1.994 20.982 19.000 -0.020 0.000 1.342 396 A HN 1.127 nan 8.150 nan 0.000 0.440 397 V N 1.499 121.415 119.914 0.002 0.000 2.481 397 V HA 0.511 4.630 4.120 -0.000 0.000 0.286 397 V C 0.051 176.162 176.094 0.030 0.000 1.042 397 V CA -0.110 62.202 62.300 0.020 0.000 0.928 397 V CB 1.241 33.074 31.823 0.016 0.000 0.986 397 V HN 0.890 nan 8.190 nan 0.000 0.462 398 M N 5.446 125.080 119.600 0.055 0.000 2.321 398 M HA 0.656 5.136 4.480 -0.000 0.000 0.315 398 M C -1.726 174.611 176.300 0.061 0.000 1.052 398 M CA -0.492 54.843 55.300 0.059 0.000 0.936 398 M CB 1.927 34.581 32.600 0.089 0.000 1.639 398 M HN 0.417 nan 8.290 nan 0.000 0.433 399 V N 5.917 125.854 119.914 0.039 0.000 2.459 399 V HA 0.501 4.620 4.120 -0.000 0.000 0.295 399 V C -0.322 175.783 176.094 0.018 0.000 1.029 399 V CA -0.490 61.830 62.300 0.033 0.000 0.874 399 V CB 1.770 33.604 31.823 0.019 0.000 0.985 399 V HN 0.943 nan 8.190 nan 0.000 0.438 400 M N 3.396 123.008 119.600 0.022 0.000 2.364 400 M HA 0.509 4.989 4.480 -0.000 0.000 0.334 400 M C -0.211 176.045 176.300 -0.072 0.000 1.107 400 M CA -0.065 55.205 55.300 -0.049 0.000 0.988 400 M CB 2.066 34.644 32.600 -0.036 0.000 1.673 400 M HN 0.648 nan 8.290 nan 0.000 0.441 401 S N 2.098 117.677 115.700 -0.201 0.000 2.513 401 S HA 0.691 5.160 4.470 -0.000 0.000 0.299 401 S C -1.830 172.570 174.600 -0.332 0.000 1.087 401 S CA -0.483 57.640 58.200 -0.128 0.000 1.012 401 S CB 0.785 63.964 63.200 -0.035 0.000 1.044 401 S HN 0.524 nan 8.310 nan 0.000 0.485 402 Y N 1.865 122.206 120.300 0.069 0.000 2.402 402 Y HA 0.524 5.074 4.550 -0.000 0.000 0.325 402 Y C 0.861 176.813 175.900 0.087 0.000 1.009 402 Y CA -0.758 57.389 58.100 0.077 0.000 1.278 402 Y CB 1.902 40.405 38.460 0.071 0.000 1.105 402 Y HN 0.818 nan 8.280 nan 0.000 0.476 403 G N 1.619 110.527 108.800 0.180 0.000 4.683 403 G HA2 -0.006 3.953 3.960 -0.000 0.000 0.273 403 G HA3 -0.006 3.953 3.960 -0.000 0.000 0.273 403 G C 0.162 175.137 174.900 0.125 0.000 1.065 403 G CA -0.448 44.741 45.100 0.149 0.000 0.837 403 G HN 0.555 nan 8.290 nan 0.000 0.526 404 N N -0.636 118.149 118.700 0.141 0.000 2.203 404 N HA 0.197 4.937 4.740 -0.000 0.000 0.207 404 N C 0.003 175.577 175.510 0.106 0.000 1.130 404 N CA -0.206 52.913 53.050 0.116 0.000 0.861 404 N CB 0.934 39.494 38.487 0.122 0.000 1.005 404 N HN 0.068 nan 8.380 nan 0.000 0.507 405 S N -0.891 114.876 115.700 0.111 0.000 2.537 405 S HA 0.353 4.823 4.470 -0.000 0.000 0.271 405 S C -0.653 173.991 174.600 0.073 0.000 1.148 405 S CA -0.560 57.693 58.200 0.087 0.000 0.868 405 S CB 1.251 64.510 63.200 0.099 0.000 1.115 405 S HN 0.163 nan 8.310 nan 0.000 0.461 406 E N 0.761 120.989 120.200 0.047 0.000 2.399 406 E HA 0.189 4.538 4.350 -0.000 0.000 0.205 406 E C 0.159 176.771 176.600 0.020 0.000 0.906 406 E CA -0.216 56.202 56.400 0.029 0.000 0.998 406 E CB 0.274 29.981 29.700 0.013 0.000 1.002 406 E HN 0.474 nan 8.360 nan 0.000 0.501 407 E N 1.016 121.229 120.200 0.021 0.000 3.218 407 E HA 0.006 4.356 4.350 -0.000 0.000 0.265 407 E C 0.678 177.289 176.600 0.017 0.000 1.393 407 E CA -0.015 56.392 56.400 0.012 0.000 1.160 407 E CB 0.192 29.894 29.700 0.004 0.000 1.272 407 E HN -0.095 nan 8.360 nan 0.000 0.720 408 D N 0.100 120.504 120.400 0.007 0.000 2.339 408 D HA -0.196 4.444 4.640 -0.000 0.000 0.189 408 D C 0.122 176.432 176.300 0.017 0.000 1.022 408 D CA 2.257 56.259 54.000 0.003 0.000 0.884 408 D CB -0.052 40.742 40.800 -0.011 0.000 0.916 408 D HN 0.306 nan 8.370 nan 0.000 0.453 409 S N -2.276 113.453 115.700 0.048 0.000 2.604 409 S HA 0.205 4.674 4.470 -0.000 0.000 0.296 409 S C -1.281 173.439 174.600 0.199 0.000 1.097 409 S CA -1.248 57.024 58.200 0.119 0.000 0.883 409 S CB 1.467 64.700 63.200 0.055 0.000 1.081 409 S HN -0.095 nan 8.310 nan 0.000 0.448 410 Q N 1.549 121.522 119.800 0.287 0.000 2.327 410 Q HA 0.454 4.794 4.340 -0.000 0.000 0.254 410 Q C 0.030 176.271 176.000 0.402 0.000 0.952 410 Q CA -0.093 55.892 55.803 0.304 0.000 0.884 410 Q CB 0.847 29.776 28.738 0.317 0.000 1.224 410 Q HN 0.780 nan 8.270 nan 0.000 0.422 411 E N 0.781 121.131 120.200 0.251 0.000 2.374 411 E HA 0.102 4.452 4.350 -0.000 0.000 0.260 411 E C -0.471 176.197 176.600 0.113 0.000 1.101 411 E CA 0.016 56.502 56.400 0.143 0.000 0.907 411 E CB 0.550 30.293 29.700 0.073 0.000 1.014 411 E HN 0.369 nan 8.360 nan 0.000 0.427 412 H N -0.511 118.454 119.070 -0.175 0.000 2.597 412 H HA 0.362 4.918 4.556 -0.001 0.000 0.370 412 H C -0.060 175.217 175.328 -0.085 0.000 1.281 412 H CA -0.332 55.504 56.048 -0.354 0.000 1.422 412 H CB 0.957 30.406 29.762 -0.523 0.000 1.524 412 H HN 0.497 nan 8.280 nan 0.000 0.607 413 T N -2.089 112.547 114.554 0.137 0.000 2.916 413 T HA 0.355 4.705 4.350 -0.000 0.000 0.292 413 T C 0.999 175.841 174.700 0.237 0.000 1.055 413 T CA -0.683 61.514 62.100 0.162 0.000 1.009 413 T CB 1.656 70.613 68.868 0.149 0.000 1.118 413 T HN 0.664 nan 8.240 nan 0.000 0.497 414 G N 0.281 109.219 108.800 0.230 0.000 3.141 414 G HA2 0.226 4.186 3.960 -0.000 0.000 0.218 414 G HA3 0.226 4.186 3.960 -0.000 0.000 0.218 414 G C 0.564 175.600 174.900 0.227 0.000 1.170 414 G CA -0.153 45.121 45.100 0.290 0.000 0.769 414 G HN 0.863 nan 8.290 nan 0.000 0.546 415 S N 0.695 116.526 115.700 0.220 0.000 2.552 415 S HA 0.144 4.614 4.470 -0.000 0.000 0.289 415 S C 0.957 175.694 174.600 0.227 0.000 1.304 415 S CA -0.465 57.838 58.200 0.172 0.000 1.063 415 S CB 0.319 63.611 63.200 0.152 0.000 0.848 415 S HN 0.633 nan 8.310 nan 0.000 0.499 416 Q N 3.144 123.021 119.800 0.129 0.000 2.432 416 Q HA 0.428 4.768 4.340 -0.000 0.000 0.264 416 Q C -0.388 175.760 176.000 0.248 0.000 1.035 416 Q CA -0.379 55.517 55.803 0.155 0.000 0.908 416 Q CB 0.231 29.038 28.738 0.115 0.000 1.280 416 Q HN 0.569 nan 8.270 nan 0.000 0.455 417 L N -1.965 119.456 121.223 0.330 0.000 2.397 417 L HA 0.609 4.948 4.340 -0.000 0.000 0.251 417 L C -0.450 176.514 176.870 0.156 0.000 1.064 417 L CA -1.441 53.541 54.840 0.237 0.000 0.859 417 L CB 1.479 43.680 42.059 0.237 0.000 1.468 417 L HN 0.723 nan 8.230 nan 0.000 0.411 418 R N 0.924 121.462 120.500 0.064 0.000 2.570 418 R HA 0.529 4.869 4.340 -0.000 0.000 0.277 418 R C -1.137 175.082 176.300 -0.134 0.000 1.039 418 R CA -0.016 56.076 56.100 -0.014 0.000 1.065 418 R CB 0.327 30.625 30.300 -0.003 0.000 0.964 418 R HN 0.854 nan 8.270 nan 0.000 0.428 419 I N 3.350 123.806 120.570 -0.190 0.000 2.499 419 I HA 0.518 4.688 4.170 -0.000 0.000 0.288 419 I C -1.432 174.590 176.117 -0.158 0.000 1.048 419 I CA -0.435 60.681 61.300 -0.308 0.000 1.062 419 I CB 1.844 39.499 38.000 -0.574 0.000 1.238 419 I HN 0.815 nan 8.210 nan 0.000 0.426 420 A N 5.691 128.434 122.820 -0.129 0.000 2.413 420 A HA 1.011 5.331 4.320 -0.000 0.000 0.307 420 A C -1.189 176.369 177.584 -0.043 0.000 1.087 420 A CA -0.209 51.793 52.037 -0.058 0.000 0.750 420 A CB 1.801 20.782 19.000 -0.031 0.000 1.296 420 A HN 1.034 nan 8.150 nan 0.000 0.423 421 A N 0.036 122.860 122.820 0.006 0.000 2.593 421 A HA 0.837 5.157 4.320 -0.000 0.000 0.290 421 A C -1.664 175.992 177.584 0.119 0.000 1.126 421 A CA -0.422 51.637 52.037 0.037 0.000 0.695 421 A CB 1.211 20.215 19.000 0.007 0.000 1.290 421 A HN 2.037 nan 8.150 nan 0.000 0.414 422 Y N -0.261 120.029 120.300 -0.017 0.000 2.482 422 Y HA 0.572 5.121 4.550 -0.001 0.000 0.334 422 Y C 0.095 175.990 175.900 -0.008 0.000 1.091 422 Y CA 0.650 58.745 58.100 -0.009 0.000 1.027 422 Y CB 1.471 39.928 38.460 -0.006 0.000 1.306 422 Y HN 2.429 nan 8.280 nan 0.000 0.446 423 G N 4.085 112.411 108.800 -0.790 0.000 2.422 423 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.607 423 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.607 423 G C -3.248 171.495 174.900 -0.261 0.000 1.270 423 G CA -1.017 43.750 45.100 -0.554 0.000 0.992 423 G HN 0.538 nan 8.290 nan 0.000 0.499 424 P HA 0.298 nan 4.420 nan 0.000 0.268 424 P C 0.345 177.705 177.300 0.099 0.000 1.204 424 P CA 0.820 63.902 63.100 -0.030 0.000 0.768 424 P CB 0.068 31.803 31.700 0.058 0.000 0.842 425 H N 0.688 119.714 119.070 -0.074 0.000 3.237 425 H HA -0.227 4.328 4.556 -0.000 0.000 0.231 425 H C 1.219 176.522 175.328 -0.041 0.000 1.148 425 H CA 0.782 56.801 56.048 -0.047 0.000 1.155 425 H CB -1.598 28.143 29.762 -0.035 0.000 1.210 425 H HN 0.565 nan 8.280 nan 0.000 0.317 426 A N 0.900 123.726 122.820 0.009 0.000 2.019 426 A HA 0.145 4.464 4.320 -0.000 0.000 0.219 426 A C 2.534 180.118 177.584 -0.001 0.000 1.164 426 A CA 1.653 53.688 52.037 -0.003 0.000 0.644 426 A CB -0.488 18.487 19.000 -0.042 0.000 0.805 426 A HN 0.559 nan 8.150 nan 0.000 0.449 427 A N 0.670 123.479 122.820 -0.018 0.000 2.024 427 A HA -0.195 4.124 4.320 -0.000 0.000 0.220 427 A C 1.588 179.180 177.584 0.014 0.000 1.164 427 A CA 1.540 53.570 52.037 -0.012 0.000 0.643 427 A CB -0.610 18.369 19.000 -0.034 0.000 0.806 427 A HN 0.569 nan 8.150 nan 0.000 0.451 428 N N 0.072 118.794 118.700 0.036 0.000 2.571 428 N HA -0.060 4.680 4.740 -0.000 0.000 0.189 428 N C 1.272 176.819 175.510 0.061 0.000 1.154 428 N CA 1.339 54.425 53.050 0.061 0.000 0.907 428 N CB 0.217 38.761 38.487 0.095 0.000 0.977 428 N HN 0.626 nan 8.380 nan 0.000 0.449 429 V N -3.460 116.477 119.914 0.037 0.000 3.605 429 V HA 0.242 4.362 4.120 -0.000 0.000 0.284 429 V C 0.748 176.855 176.094 0.020 0.000 1.386 429 V CA -0.159 62.154 62.300 0.023 0.000 1.053 429 V CB -0.027 31.785 31.823 -0.019 0.000 0.857 429 V HN -0.229 nan 8.190 nan 0.000 0.436 430 V N 2.713 122.642 119.914 0.025 0.000 2.775 430 V HA 0.734 4.854 4.120 -0.000 0.000 0.299 430 V C 1.287 177.404 176.094 0.038 0.000 1.062 430 V CA 0.937 63.252 62.300 0.025 0.000 1.063 430 V CB -0.076 31.759 31.823 0.019 0.000 0.994 430 V HN 1.081 nan 8.190 nan 0.000 0.483 431 G N 3.194 112.017 108.800 0.039 0.000 2.632 431 G HA2 -0.119 3.840 3.960 -0.000 0.000 0.224 431 G HA3 -0.119 3.840 3.960 -0.000 0.000 0.224 431 G C -0.887 174.053 174.900 0.067 0.000 1.341 431 G CA -0.036 45.093 45.100 0.048 0.000 0.880 431 G HN 1.144 nan 8.290 nan 0.000 0.566 432 L N 1.596 122.864 121.223 0.074 0.000 2.276 432 L HA 0.766 5.106 4.340 -0.000 0.000 0.286 432 L C 1.009 177.948 176.870 0.115 0.000 1.061 432 L CA 1.059 55.958 54.840 0.098 0.000 0.807 432 L CB 1.221 43.331 42.059 0.084 0.000 1.177 432 L HN 1.569 nan 8.230 nan 0.000 0.429 433 T N 0.258 114.910 114.554 0.164 0.000 2.804 433 T HA 0.568 4.918 4.350 -0.000 0.000 0.290 433 T C -1.002 173.821 174.700 0.206 0.000 1.099 433 T CA -0.848 61.359 62.100 0.178 0.000 1.011 433 T CB 1.400 70.385 68.868 0.196 0.000 1.291 433 T HN 0.576 nan 8.240 nan 0.000 0.523 434 D N -0.986 119.512 120.400 0.163 0.000 2.269 434 D HA 0.323 4.963 4.640 -0.000 0.000 0.244 434 D C 1.196 177.526 176.300 0.051 0.000 0.992 434 D CA -0.633 53.401 54.000 0.057 0.000 0.894 434 D CB 2.121 42.937 40.800 0.026 0.000 1.248 434 D HN 0.667 nan 8.370 nan 0.000 0.468 435 Q N 0.337 119.995 119.800 -0.236 0.000 2.181 435 Q HA -0.179 4.160 4.340 -0.000 0.000 0.205 435 Q C 1.514 177.604 176.000 0.150 0.000 0.980 435 Q CA 2.133 57.819 55.803 -0.195 0.000 0.862 435 Q CB 0.003 28.539 28.738 -0.336 0.000 0.905 435 Q HN 0.751 nan 8.270 nan 0.000 0.429 436 T N -2.029 112.581 114.554 0.092 0.000 2.915 436 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 436 T C 1.265 176.197 174.700 0.387 0.000 1.071 436 T CA 1.157 63.377 62.100 0.200 0.000 1.132 436 T CB -0.227 68.713 68.868 0.120 0.000 0.878 436 T HN 0.235 nan 8.240 nan 0.000 0.479 437 D N 1.100 121.685 120.400 0.308 0.000 2.182 437 D HA -0.054 4.586 4.640 -0.000 0.000 0.201 437 D C 1.972 178.486 176.300 0.355 0.000 0.986 437 D CA 0.748 54.947 54.000 0.333 0.000 0.847 437 D CB -0.210 40.725 40.800 0.226 0.000 0.942 437 D HN 0.278 nan 8.370 nan 0.000 0.467 438 L N 0.448 121.880 121.223 0.349 0.000 2.079 438 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 438 L C 2.050 179.083 176.870 0.271 0.000 1.081 438 L CA 1.275 56.293 54.840 0.297 0.000 0.752 438 L CB -0.745 41.519 42.059 0.341 0.000 0.896 438 L HN -0.060 nan 8.230 nan 0.000 0.433 439 F N -0.805 119.248 119.950 0.172 0.000 2.075 439 F HA -0.281 4.245 4.527 -0.001 0.000 0.297 439 F C 2.113 177.848 175.800 -0.108 0.000 1.113 439 F CA 1.786 59.787 58.000 0.002 0.000 1.218 439 F CB -0.689 38.224 39.000 -0.144 0.000 0.984 439 F HN 0.132 nan 8.300 nan 0.000 0.472 440 Y N 0.409 120.764 120.300 0.092 0.000 2.274 440 Y HA -0.205 4.345 4.550 -0.001 0.000 0.290 440 Y C 2.679 178.524 175.900 -0.091 0.000 1.145 440 Y CA 1.866 59.941 58.100 -0.042 0.000 1.203 440 Y CB -1.283 37.242 38.460 0.108 0.000 0.984 440 Y HN 0.048 nan 8.280 nan 0.000 0.533 441 T N 0.027 114.642 114.554 0.103 0.000 2.737 441 T HA -0.202 4.147 4.350 -0.000 0.000 0.265 441 T C 1.959 176.621 174.700 -0.064 0.000 1.038 441 T CA 1.659 63.789 62.100 0.051 0.000 1.144 441 T CB -0.321 68.604 68.868 0.095 0.000 0.866 441 T HN 0.282 nan 8.240 nan 0.000 0.434 442 M N 0.755 120.301 119.600 -0.090 0.000 2.117 442 M HA -0.087 4.393 4.480 -0.000 0.000 0.262 442 M C 2.449 178.607 176.300 -0.237 0.000 1.065 442 M CA 1.513 56.741 55.300 -0.120 0.000 1.114 442 M CB -0.417 32.157 32.600 -0.044 0.000 1.361 442 M HN 0.145 nan 8.290 nan 0.000 0.408 443 K N 0.794 120.954 120.400 -0.401 0.000 2.032 443 K HA -0.163 4.157 4.320 -0.000 0.000 0.209 443 K C 1.976 178.422 176.600 -0.257 0.000 1.048 443 K CA 1.672 57.701 56.287 -0.429 0.000 0.927 443 K CB -0.109 31.978 32.500 -0.689 0.000 0.712 443 K HN 0.265 nan 8.250 nan 0.000 0.441 444 A N 1.011 123.707 122.820 -0.207 0.000 1.898 444 A HA -0.056 4.263 4.320 -0.000 0.000 0.216 444 A C 2.349 179.732 177.584 -0.336 0.000 1.181 444 A CA 1.774 53.707 52.037 -0.174 0.000 0.620 444 A CB -0.833 18.122 19.000 -0.077 0.000 0.819 444 A HN 0.504 nan 8.150 nan 0.000 0.442 445 A N -0.875 121.662 122.820 -0.472 0.000 1.908 445 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 445 A C 1.878 179.252 177.584 -0.350 0.000 1.181 445 A CA 1.741 53.355 52.037 -0.705 0.000 0.627 445 A CB -0.445 18.295 19.000 -0.433 0.000 0.818 445 A HN 0.408 nan 8.150 nan 0.000 0.445 446 L N -0.974 120.115 121.223 -0.223 0.000 2.554 446 L HA 0.206 4.546 4.340 -0.000 0.000 0.226 446 L C 1.729 178.530 176.870 -0.114 0.000 1.137 446 L CA 1.071 55.829 54.840 -0.137 0.000 0.863 446 L CB -0.930 41.064 42.059 -0.107 0.000 0.985 446 L HN 0.674 nan 8.230 nan 0.000 0.451 447 G N -0.190 108.530 108.800 -0.133 0.000 2.198 447 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 447 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 447 G C 0.127 174.986 174.900 -0.068 0.000 1.025 447 G CA 0.073 45.123 45.100 -0.084 0.000 0.769 447 G HN 0.173 nan 8.290 nan 0.000 0.507 448 L N 0.980 122.147 121.223 -0.093 0.000 2.418 448 L HA 0.518 4.857 4.340 -0.000 0.000 0.274 448 L C 0.811 177.648 176.870 -0.055 0.000 1.135 448 L CA 0.196 54.989 54.840 -0.080 0.000 0.870 448 L CB 0.750 42.736 42.059 -0.122 0.000 1.154 448 L HN 0.525 nan 8.230 nan 0.000 0.462 449 K N 0.000 120.384 120.400 -0.027 0.000 2.780 449 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 449 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 449 K CB 0.000 32.500 32.500 0.001 0.000 1.064 449 K HN 0.000 nan 8.250 nan 0.000 0.543