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 3mfm_1_C DATA FIRST_RESID 10 DATA SEQUENCE DIHTTAGKLA DLRRRIEEAT HAGSARAVEK QHAKGKLTAR ERIDLLLDEG DATA SEQUENCE SFVELDEFAR HRSTNFGLDA NRPYGDGVVT GYGTVDGRPV AVFSQDFTVF DATA SEQUENCE GGALGEVYGQ KIVKVMDFAL KTGCPVVGIN DSGGARIQEG VASLGAYGEI DATA SEQUENCE FRRNTHASGV IPQISLVVGP CAGGAVYSPA ITDFTVMVDQ TSHMFITGPD DATA SEQUENCE VIKTVTGEDV GFEELGGART HNSTSGVAHH MAGDEKDAVE YVKQLLSYLP DATA SEQUENCE SNNLSEPPAF PEEADLAVTD EDAELDTIVP DSANQPYDMH SVIEHVLDDA DATA SEQUENCE EFFETQPLFA PNILTGFGRV EGRPVGIVAN QPMQFAGCLD ITASEKAARF DATA SEQUENCE VRTCDAFNVP VLTFVDVPGF LPGVDQEHDG IIRRGAKLIF AYAEATVPLI DATA SEQUENCE TVITRKAFGG AYNVMGSKHL GADLNLAWPT AQIAVMGAQG AVNILHRRTI DATA SEQUENCE ADAGDDAEAT RARLIQEYED ALLNPYTAAE RGYVDAVIMP SDTRRHIVRG DATA SEQUENCE LRQLRTKRES LPPKKHGNIP L 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 10 D HA 0.000 nan 4.640 nan 0.000 0.175 10 D C 0.000 176.344 176.300 0.073 0.000 2.045 10 D CA 0.000 54.023 54.000 0.039 0.000 0.868 10 D CB 0.000 40.819 40.800 0.032 0.000 0.688 11 I N -0.227 120.426 120.570 0.138 0.000 5.061 11 I HA 0.082 4.252 4.170 -0.000 0.000 0.336 11 I C 1.036 177.270 176.117 0.195 0.000 1.247 11 I CA 0.265 61.667 61.300 0.171 0.000 1.418 11 I CB -0.674 37.452 38.000 0.210 0.000 1.467 11 I HN 0.364 nan 8.210 nan 0.000 0.510 12 H N 1.468 120.542 119.070 0.008 0.000 2.544 12 H HA 0.148 4.704 4.556 -0.000 0.000 0.269 12 H C 0.835 176.167 175.328 0.007 0.000 0.970 12 H CA 0.469 56.521 56.048 0.008 0.000 1.219 12 H CB -0.058 29.708 29.762 0.007 0.000 1.421 12 H HN 0.249 nan 8.280 nan 0.000 0.555 13 T N -1.793 112.836 114.554 0.125 0.000 2.899 13 T HA 0.125 4.475 4.350 -0.000 0.000 0.284 13 T C 1.785 176.512 174.700 0.045 0.000 1.004 13 T CA -0.045 62.096 62.100 0.068 0.000 1.043 13 T CB 1.631 70.529 68.868 0.050 0.000 1.013 13 T HN 0.338 nan 8.240 nan 0.000 0.518 14 T N -0.848 113.725 114.554 0.031 0.000 2.803 14 T HA -0.115 4.235 4.350 -0.000 0.000 0.269 14 T C 2.105 176.818 174.700 0.021 0.000 1.052 14 T CA 0.950 63.063 62.100 0.021 0.000 1.136 14 T CB -0.741 68.136 68.868 0.016 0.000 0.864 14 T HN 0.770 nan 8.240 nan 0.000 0.467 15 A N 1.325 124.159 122.820 0.024 0.000 1.935 15 A HA 0.447 4.767 4.320 -0.000 0.000 0.214 15 A C 2.698 180.297 177.584 0.025 0.000 1.178 15 A CA 1.064 53.114 52.037 0.021 0.000 0.640 15 A CB -1.304 17.707 19.000 0.018 0.000 0.825 15 A HN 0.605 nan 8.150 nan 0.000 0.447 16 G N -0.436 108.383 108.800 0.032 0.000 2.471 16 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.219 16 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.219 16 G C 1.588 176.509 174.900 0.036 0.000 1.125 16 G CA 1.171 46.294 45.100 0.037 0.000 0.775 16 G HN 0.517 nan 8.290 nan 0.000 0.548 17 K N -0.701 119.718 120.400 0.031 0.000 2.076 17 K HA 0.149 4.469 4.320 -0.000 0.000 0.204 17 K C 2.308 178.923 176.600 0.024 0.000 1.051 17 K CA 0.283 56.585 56.287 0.024 0.000 0.949 17 K CB -0.208 32.302 32.500 0.017 0.000 0.726 17 K HN 0.136 nan 8.250 nan 0.000 0.443 18 L N 0.649 121.885 121.223 0.022 0.000 2.042 18 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 18 L C 2.206 179.091 176.870 0.024 0.000 1.076 18 L CA 1.965 56.818 54.840 0.021 0.000 0.749 18 L CB -0.881 41.188 42.059 0.017 0.000 0.893 18 L HN 0.185 nan 8.230 nan 0.000 0.432 19 A N -1.093 121.741 122.820 0.024 0.000 1.933 19 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 19 A C 2.195 179.793 177.584 0.024 0.000 1.175 19 A CA 1.745 53.796 52.037 0.023 0.000 0.628 19 A CB -0.719 18.294 19.000 0.022 0.000 0.814 19 A HN 0.536 nan 8.150 nan 0.000 0.444 20 D N -0.114 120.300 120.400 0.024 0.000 2.104 20 D HA -0.188 4.452 4.640 -0.000 0.000 0.194 20 D C 1.863 178.171 176.300 0.013 0.000 0.994 20 D CA 1.713 55.724 54.000 0.018 0.000 0.830 20 D CB -0.157 40.655 40.800 0.019 0.000 0.959 20 D HN 0.261 nan 8.370 nan 0.000 0.452 21 L N 1.826 123.068 121.223 0.031 0.000 2.081 21 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 21 L C 2.508 179.413 176.870 0.058 0.000 1.080 21 L CA 1.531 56.407 54.840 0.061 0.000 0.754 21 L CB -0.834 41.276 42.059 0.086 0.000 0.893 21 L HN 0.014 nan 8.230 nan 0.000 0.433 22 R N -0.856 119.670 120.500 0.044 0.000 2.083 22 R HA -0.187 4.153 4.340 -0.000 0.000 0.237 22 R C 2.383 178.709 176.300 0.042 0.000 1.137 22 R CA 1.570 57.697 56.100 0.045 0.000 0.951 22 R CB -0.554 29.767 30.300 0.035 0.000 0.851 22 R HN 0.407 nan 8.270 nan 0.000 0.434 23 R N 1.464 121.980 120.500 0.027 0.000 2.083 23 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 23 R C 2.135 178.440 176.300 0.008 0.000 1.137 23 R CA 1.634 57.749 56.100 0.025 0.000 0.951 23 R CB -0.109 30.202 30.300 0.018 0.000 0.851 23 R HN 0.187 nan 8.270 nan 0.000 0.434 24 R N 0.005 120.465 120.500 -0.068 0.000 2.096 24 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 24 R C 2.394 178.544 176.300 -0.249 0.000 1.127 24 R CA 1.705 57.625 56.100 -0.301 0.000 0.968 24 R CB -0.351 29.536 30.300 -0.688 0.000 0.861 24 R HN 0.302 nan 8.270 nan 0.000 0.440 25 I N 0.829 121.429 120.570 0.050 0.000 2.252 25 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 25 I C 2.151 178.334 176.117 0.110 0.000 1.102 25 I CA 1.145 62.550 61.300 0.175 0.000 1.385 25 I CB -0.132 37.954 38.000 0.143 0.000 1.064 25 I HN 0.062 nan 8.210 nan 0.000 0.414 26 E N 0.509 120.781 120.200 0.120 0.000 2.110 26 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 26 E C 1.993 178.777 176.600 0.307 0.000 0.988 26 E CA 1.066 57.598 56.400 0.220 0.000 0.804 26 E CB -0.280 29.524 29.700 0.173 0.000 0.745 26 E HN 0.533 nan 8.360 nan 0.000 0.458 27 E N 0.312 120.624 120.200 0.187 0.000 2.047 27 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 27 E C 1.939 178.683 176.600 0.240 0.000 0.987 27 E CA 0.875 57.399 56.400 0.208 0.000 0.799 27 E CB 0.024 29.847 29.700 0.206 0.000 0.752 27 E HN 0.181 nan 8.360 nan 0.000 0.449 28 A N 0.108 123.061 122.820 0.221 0.000 2.015 28 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 28 A C 2.185 179.828 177.584 0.098 0.000 1.163 28 A CA 1.566 53.740 52.037 0.228 0.000 0.646 28 A CB -0.424 18.682 19.000 0.176 0.000 0.806 28 A HN 0.204 nan 8.150 nan 0.000 0.448 29 T N -0.762 113.780 114.554 -0.020 0.000 3.113 29 T HA 0.024 4.374 4.350 -0.000 0.000 0.256 29 T C 0.290 174.707 174.700 -0.472 0.000 1.131 29 T CA 1.233 63.179 62.100 -0.258 0.000 1.074 29 T CB -0.305 68.336 68.868 -0.378 0.000 0.944 29 T HN 0.758 nan 8.240 nan 0.000 0.516 30 H N 0.096 119.202 119.070 0.060 0.000 2.651 30 H HA 0.613 5.169 4.556 -0.000 0.000 0.241 30 H C 0.391 175.735 175.328 0.027 0.000 1.225 30 H CA -0.657 55.413 56.048 0.037 0.000 0.942 30 H CB 0.000 29.782 29.762 0.032 0.000 1.996 30 H HN 0.240 nan 8.280 nan 0.000 0.600 31 A N 1.159 124.034 122.820 0.090 0.000 2.520 31 A HA 0.457 4.777 4.320 -0.000 0.000 0.235 31 A C 1.157 178.750 177.584 0.016 0.000 1.065 31 A CA 0.716 52.778 52.037 0.041 0.000 0.764 31 A CB -0.463 18.555 19.000 0.030 0.000 1.002 31 A HN 0.813 nan 8.150 nan 0.000 0.502 32 G N 0.797 109.578 108.800 -0.030 0.000 2.850 32 G HA2 0.240 4.200 3.960 -0.000 0.000 0.686 32 G HA3 0.240 4.200 3.960 -0.000 0.000 0.686 32 G C 0.029 174.925 174.900 -0.007 0.000 1.164 32 G CA 0.067 45.146 45.100 -0.036 0.000 0.826 32 G HN 2.324 nan 8.290 nan 0.000 0.586 33 S N 1.510 117.199 115.700 -0.018 0.000 2.573 33 S HA 0.571 5.041 4.470 -0.000 0.000 0.277 33 S C 1.899 176.502 174.600 0.005 0.000 1.346 33 S CA 0.624 58.820 58.200 -0.006 0.000 1.034 33 S CB 1.650 64.845 63.200 -0.009 0.000 0.879 33 S HN 2.296 nan 8.310 nan 0.000 0.528 34 A N 3.027 125.852 122.820 0.008 0.000 1.933 34 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 34 A C 2.331 179.922 177.584 0.011 0.000 1.175 34 A CA 1.615 53.661 52.037 0.014 0.000 0.628 34 A CB -0.886 18.119 19.000 0.008 0.000 0.814 34 A HN 1.035 nan 8.150 nan 0.000 0.444 35 R N -0.238 120.266 120.500 0.007 0.000 2.083 35 R HA -0.009 4.331 4.340 -0.000 0.000 0.237 35 R C 2.214 178.514 176.300 0.000 0.000 1.137 35 R CA 1.625 57.730 56.100 0.007 0.000 0.951 35 R CB -0.845 29.460 30.300 0.009 0.000 0.851 35 R HN 0.302 nan 8.270 nan 0.000 0.434 36 A N 1.441 124.261 122.820 0.001 0.000 1.877 36 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 36 A C 2.485 180.039 177.584 -0.049 0.000 1.186 36 A CA 1.569 53.606 52.037 -0.001 0.000 0.620 36 A CB -0.607 18.411 19.000 0.029 0.000 0.822 36 A HN 0.179 nan 8.150 nan 0.000 0.443 37 V N 0.123 120.004 119.914 -0.054 0.000 2.407 37 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 37 V C 2.521 178.509 176.094 -0.177 0.000 1.055 37 V CA 2.360 64.582 62.300 -0.130 0.000 1.049 37 V CB -0.634 31.151 31.823 -0.063 0.000 0.662 37 V HN 0.795 nan 8.190 nan 0.000 0.455 38 E N 0.410 120.586 120.200 -0.040 0.000 2.107 38 E HA -0.260 4.090 4.350 -0.000 0.000 0.191 38 E C 2.148 178.747 176.600 -0.001 0.000 0.982 38 E CA 1.102 57.523 56.400 0.035 0.000 0.809 38 E CB -0.018 29.713 29.700 0.051 0.000 0.756 38 E HN 0.444 nan 8.360 nan 0.000 0.459 39 K N 0.972 121.351 120.400 -0.035 0.000 2.362 39 K HA -0.187 4.133 4.320 -0.000 0.000 0.200 39 K C 1.911 178.446 176.600 -0.108 0.000 1.046 39 K CA 1.384 57.642 56.287 -0.048 0.000 0.952 39 K CB -0.056 32.422 32.500 -0.036 0.000 0.753 39 K HN 0.096 nan 8.250 nan 0.000 0.466 40 Q N -0.684 119.011 119.800 -0.175 0.000 2.033 40 Q HA -0.062 4.278 4.340 -0.000 0.000 0.196 40 Q C 1.626 177.525 176.000 -0.169 0.000 0.970 40 Q CA 1.703 57.352 55.803 -0.257 0.000 0.828 40 Q CB -0.167 28.370 28.738 -0.335 0.000 0.895 40 Q HN 0.679 nan 8.270 nan 0.000 0.440 41 H N -0.691 118.349 119.070 -0.051 0.000 2.321 41 H HA -0.042 4.514 4.556 -0.000 0.000 0.300 41 H C 1.876 177.185 175.328 -0.032 0.000 1.087 41 H CA 0.943 56.971 56.048 -0.033 0.000 1.319 41 H CB -0.064 29.687 29.762 -0.019 0.000 1.379 41 H HN 0.445 nan 8.280 nan 0.000 0.501 42 A N 1.342 124.215 122.820 0.089 0.000 2.032 42 A HA -0.233 4.087 4.320 -0.000 0.000 0.221 42 A C 2.011 179.602 177.584 0.012 0.000 1.165 42 A CA 1.687 53.746 52.037 0.038 0.000 0.645 42 A CB -0.297 18.713 19.000 0.018 0.000 0.807 42 A HN 0.366 nan 8.150 nan 0.000 0.453 43 K N -2.093 118.297 120.400 -0.017 0.000 2.296 43 K HA 0.123 4.443 4.320 -0.000 0.000 0.200 43 K C 1.177 177.776 176.600 -0.003 0.000 1.048 43 K CA 0.637 56.907 56.287 -0.029 0.000 0.966 43 K CB -0.082 32.363 32.500 -0.091 0.000 0.754 43 K HN 0.742 nan 8.250 nan 0.000 0.466 44 G N 2.112 110.923 108.800 0.018 0.000 2.163 44 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.213 44 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.213 44 G C -0.206 174.715 174.900 0.035 0.000 0.991 44 G CA 0.161 45.279 45.100 0.031 0.000 0.653 44 G HN 0.370 nan 8.290 nan 0.000 0.518 45 K N -0.265 120.151 120.400 0.026 0.000 2.280 45 K HA 0.913 5.233 4.320 -0.000 0.000 0.234 45 K C -0.198 176.440 176.600 0.062 0.000 1.028 45 K CA -1.240 55.061 56.287 0.023 0.000 0.882 45 K CB 1.606 34.094 32.500 -0.020 0.000 1.194 45 K HN -0.005 nan 8.250 nan 0.000 0.458 46 L N 0.975 122.227 121.223 0.050 0.000 2.335 46 L HA 0.365 4.705 4.340 -0.000 0.000 0.268 46 L C 0.841 177.702 176.870 -0.015 0.000 1.016 46 L CA -0.507 54.381 54.840 0.079 0.000 0.805 46 L CB 1.284 43.390 42.059 0.078 0.000 1.311 46 L HN 1.047 nan 8.230 nan 0.000 0.456 47 T N -2.278 112.265 114.554 -0.019 0.000 2.726 47 T HA 0.375 4.725 4.350 -0.000 0.000 0.294 47 T C 1.274 175.961 174.700 -0.021 0.000 1.013 47 T CA 0.116 62.184 62.100 -0.053 0.000 0.996 47 T CB 0.770 69.610 68.868 -0.046 0.000 1.016 47 T HN 0.612 nan 8.240 nan 0.000 0.529 48 A N 1.525 124.336 122.820 -0.015 0.000 1.834 48 A HA 0.027 4.347 4.320 -0.000 0.000 0.216 48 A C 1.587 179.129 177.584 -0.070 0.000 1.203 48 A CA 0.934 52.961 52.037 -0.016 0.000 0.621 48 A CB -0.938 18.061 19.000 -0.002 0.000 0.841 48 A HN 0.912 nan 8.150 nan 0.000 0.446 49 R N -1.704 118.738 120.500 -0.096 0.000 2.980 49 R HA 0.271 4.611 4.340 -0.000 0.000 0.285 49 R C 0.931 177.167 176.300 -0.107 0.000 1.072 49 R CA 0.610 56.614 56.100 -0.161 0.000 1.203 49 R CB 0.019 30.232 30.300 -0.145 0.000 1.163 49 R HN 0.699 nan 8.270 nan 0.000 0.545 50 E N -0.755 119.376 120.200 -0.116 0.000 4.798 50 E HA -0.341 4.009 4.350 -0.000 0.000 0.165 50 E C 1.449 178.016 176.600 -0.056 0.000 1.032 50 E CA 1.560 57.927 56.400 -0.055 0.000 2.424 50 E CB -0.845 28.855 29.700 -0.000 0.000 1.697 50 E HN 0.660 nan 8.360 nan 0.000 0.529 51 R N 0.553 121.014 120.500 -0.064 0.000 2.090 51 R HA 0.103 4.443 4.340 -0.000 0.000 0.228 51 R C 2.474 178.710 176.300 -0.106 0.000 1.110 51 R CA 1.573 57.636 56.100 -0.061 0.000 0.973 51 R CB -0.166 30.107 30.300 -0.046 0.000 0.869 51 R HN 0.339 nan 8.270 nan 0.000 0.440 52 I N 0.884 121.345 120.570 -0.182 0.000 2.113 52 I HA -0.299 3.871 4.170 -0.000 0.000 0.238 52 I C 2.123 178.109 176.117 -0.218 0.000 1.070 52 I CA 1.682 62.815 61.300 -0.279 0.000 1.332 52 I CB -0.363 37.297 38.000 -0.566 0.000 1.044 52 I HN 0.135 nan 8.210 nan 0.000 0.402 53 D N 0.682 120.964 120.400 -0.198 0.000 2.172 53 D HA -0.248 4.392 4.640 -0.000 0.000 0.196 53 D C 1.948 178.211 176.300 -0.062 0.000 0.999 53 D CA 1.333 55.267 54.000 -0.110 0.000 0.856 53 D CB 0.012 40.766 40.800 -0.076 0.000 0.934 53 D HN 0.171 nan 8.370 nan 0.000 0.453 54 L N -0.334 120.854 121.223 -0.058 0.000 2.095 54 L HA 0.108 4.448 4.340 -0.000 0.000 0.204 54 L C 1.983 178.835 176.870 -0.030 0.000 1.080 54 L CA 1.131 55.951 54.840 -0.033 0.000 0.759 54 L CB -0.802 41.244 42.059 -0.022 0.000 0.914 54 L HN 0.221 nan 8.230 nan 0.000 0.439 55 L N -0.609 120.588 121.223 -0.044 0.000 2.005 55 L HA 0.012 4.352 4.340 -0.000 0.000 0.207 55 L C 0.611 177.466 176.870 -0.025 0.000 1.072 55 L CA 1.286 56.106 54.840 -0.034 0.000 0.744 55 L CB -0.464 41.568 42.059 -0.045 0.000 0.895 55 L HN 0.067 nan 8.230 nan 0.000 0.433 56 L N 1.089 122.296 121.223 -0.027 0.000 2.417 56 L HA 0.184 4.524 4.340 -0.000 0.000 0.268 56 L C -0.159 176.718 176.870 0.012 0.000 1.158 56 L CA -0.178 54.667 54.840 0.008 0.000 0.819 56 L CB -0.206 41.878 42.059 0.042 0.000 1.112 56 L HN 0.157 nan 8.230 nan 0.000 0.458 57 D N 2.212 122.625 120.400 0.022 0.000 2.525 57 D HA -0.020 4.620 4.640 -0.000 0.000 0.235 57 D C 0.210 176.525 176.300 0.025 0.000 1.137 57 D CA 0.158 54.169 54.000 0.018 0.000 0.868 57 D CB 0.334 41.146 40.800 0.021 0.000 1.180 57 D HN 0.443 nan 8.370 nan 0.000 0.465 58 E N 0.458 120.667 120.200 0.015 0.000 2.529 58 E HA 0.183 4.533 4.350 -0.000 0.000 0.259 58 E C 1.303 177.917 176.600 0.023 0.000 0.966 58 E CA 0.624 57.034 56.400 0.017 0.000 0.937 58 E CB 0.310 30.015 29.700 0.008 0.000 0.923 58 E HN 0.706 nan 8.360 nan 0.000 0.468 59 G N 2.471 111.290 108.800 0.031 0.000 2.253 59 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.251 59 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.251 59 G C 1.182 176.094 174.900 0.020 0.000 0.998 59 G CA 0.722 45.835 45.100 0.022 0.000 0.621 59 G HN 0.655 nan 8.290 nan 0.000 0.524 60 S N -0.434 115.291 115.700 0.041 0.000 2.436 60 S HA 0.316 4.786 4.470 -0.000 0.000 0.228 60 S C 1.114 175.720 174.600 0.011 0.000 1.014 60 S CA 0.763 58.988 58.200 0.040 0.000 0.950 60 S CB -0.082 63.157 63.200 0.066 0.000 0.784 60 S HN 1.249 nan 8.310 nan 0.000 0.504 61 F N 3.060 122.946 119.950 -0.107 0.000 2.572 61 F HA 0.461 4.988 4.527 -0.000 0.000 0.370 61 F C -0.522 175.109 175.800 -0.281 0.000 1.103 61 F CA -0.600 57.292 58.000 -0.181 0.000 1.286 61 F CB 0.647 39.565 39.000 -0.137 0.000 1.105 61 F HN -0.057 nan 8.300 nan 0.000 0.583 62 V N 6.479 125.496 119.914 -1.495 0.000 2.482 62 V HA 0.202 4.322 4.120 -0.000 0.000 0.295 62 V C -0.434 174.602 176.094 -1.764 0.000 1.026 62 V CA -0.982 60.429 62.300 -1.482 0.000 0.856 62 V CB 1.509 32.485 31.823 -1.412 0.000 1.001 62 V HN 0.762 nan 8.190 nan 0.000 0.424 63 E N 4.140 123.517 120.200 -1.372 0.000 2.289 63 E HA 0.502 4.852 4.350 -0.000 0.000 0.278 63 E C -1.073 175.270 176.600 -0.429 0.000 1.032 63 E CA -0.318 55.644 56.400 -0.731 0.000 0.854 63 E CB 0.951 30.489 29.700 -0.271 0.000 1.046 63 E HN 0.555 nan 8.360 nan 0.000 0.409 64 L N 3.965 125.040 121.223 -0.247 0.000 2.322 64 L HA 0.250 4.590 4.340 -0.000 0.000 0.279 64 L C -0.296 176.507 176.870 -0.111 0.000 1.036 64 L CA -0.721 54.014 54.840 -0.175 0.000 0.807 64 L CB 1.313 43.293 42.059 -0.132 0.000 1.226 64 L HN 0.703 nan 8.230 nan 0.000 0.433 65 D N 1.353 121.686 120.400 -0.111 0.000 2.701 65 D HA -0.231 4.409 4.640 -0.000 0.000 0.235 65 D C 1.100 177.373 176.300 -0.045 0.000 1.155 65 D CA 1.234 55.197 54.000 -0.062 0.000 0.649 65 D CB -0.572 40.217 40.800 -0.018 0.000 1.050 65 D HN 0.739 nan 8.370 nan 0.000 0.425 66 E N -0.926 119.186 120.200 -0.147 0.000 2.153 66 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 66 E C 0.961 177.662 176.600 0.169 0.000 0.988 66 E CA 0.816 57.153 56.400 -0.105 0.000 0.811 66 E CB 0.091 29.575 29.700 -0.360 0.000 0.746 66 E HN 0.214 nan 8.360 nan 0.000 0.466 67 F N 0.513 120.411 119.950 -0.087 0.000 2.819 67 F HA 0.421 4.948 4.527 -0.000 0.000 0.294 67 F C 0.367 176.231 175.800 0.107 0.000 1.166 67 F CA -0.892 57.061 58.000 -0.077 0.000 1.374 67 F CB -0.525 38.341 39.000 -0.222 0.000 0.956 67 F HN -0.074 nan 8.300 nan 0.000 0.509 68 A N 1.025 124.002 122.820 0.262 0.000 2.371 68 A HA 0.664 4.984 4.320 -0.000 0.000 0.257 68 A C 0.466 178.164 177.584 0.190 0.000 1.089 68 A CA -0.270 51.877 52.037 0.182 0.000 0.794 68 A CB 0.554 19.619 19.000 0.108 0.000 1.029 68 A HN 0.414 nan 8.150 nan 0.000 0.488 69 R N 0.541 121.124 120.500 0.139 0.000 2.621 69 R HA 0.326 4.666 4.340 -0.000 0.000 0.284 69 R C -0.852 175.532 176.300 0.140 0.000 0.998 69 R CA -0.862 55.286 56.100 0.080 0.000 0.895 69 R CB 1.556 31.892 30.300 0.060 0.000 1.195 69 R HN 1.038 nan 8.270 nan 0.000 0.450 70 H N 1.696 120.807 119.070 0.069 0.000 2.822 70 H HA 0.074 4.630 4.556 -0.000 0.000 0.373 70 H C 0.093 175.438 175.328 0.027 0.000 1.223 70 H CA -0.461 55.616 56.048 0.047 0.000 1.436 70 H CB 0.639 30.432 29.762 0.052 0.000 1.439 70 H HN 0.675 nan 8.280 nan 0.000 0.618 71 R N 0.019 120.580 120.500 0.101 0.000 2.637 71 R HA 0.285 4.625 4.340 -0.000 0.000 0.446 71 R C -1.049 175.173 176.300 -0.131 0.000 1.024 71 R CA -0.374 55.733 56.100 0.011 0.000 1.080 71 R CB -0.266 30.055 30.300 0.034 0.000 1.421 71 R HN 0.545 nan 8.270 nan 0.000 0.593 72 S N 0.293 115.786 115.700 -0.345 0.000 2.457 72 S HA 0.192 4.662 4.470 -0.000 0.000 0.289 72 S C 0.732 175.178 174.600 -0.256 0.000 1.163 72 S CA -0.420 57.601 58.200 -0.297 0.000 1.078 72 S CB 1.608 64.606 63.200 -0.336 0.000 0.987 72 S HN 0.298 nan 8.310 nan 0.000 0.482 73 T N -0.904 113.577 114.554 -0.122 0.000 3.223 73 T HA 0.246 4.596 4.350 -0.000 0.000 0.259 73 T C -0.263 174.440 174.700 0.005 0.000 1.015 73 T CA -0.659 61.412 62.100 -0.049 0.000 0.908 73 T CB -0.864 67.995 68.868 -0.016 0.000 1.054 73 T HN 0.486 nan 8.240 nan 0.000 0.567 74 N N 2.257 120.942 118.700 -0.026 0.000 2.411 74 N HA 0.576 5.316 4.740 -0.000 0.000 0.259 74 N C -0.059 175.610 175.510 0.266 0.000 1.103 74 N CA -0.496 52.610 53.050 0.092 0.000 0.954 74 N CB -0.321 38.083 38.487 -0.138 0.000 1.085 74 N HN 0.421 nan 8.380 nan 0.000 0.485 75 F N -0.987 118.940 119.950 -0.037 0.000 2.183 75 F HA -0.287 4.240 4.527 -0.000 0.000 0.318 75 F C 1.397 177.197 175.800 -0.001 0.000 0.351 75 F CA 0.136 58.125 58.000 -0.018 0.000 0.912 75 F CB -0.887 38.101 39.000 -0.020 0.000 4.135 75 F HN 0.482 nan 8.300 nan 0.000 0.137 76 G N 0.132 109.091 108.800 0.264 0.000 3.882 76 G HA2 0.460 4.420 3.960 -0.000 0.000 0.283 76 G HA3 0.460 4.420 3.960 -0.000 0.000 0.283 76 G C 0.116 175.125 174.900 0.182 0.000 1.283 76 G CA -0.110 45.090 45.100 0.167 0.000 1.402 76 G HN 0.290 nan 8.290 nan 0.000 0.618 77 L N 0.371 121.690 121.223 0.160 0.000 2.286 77 L HA 0.136 4.476 4.340 -0.000 0.000 0.203 77 L C 2.375 179.429 176.870 0.307 0.000 1.068 77 L CA 1.047 56.020 54.840 0.222 0.000 0.811 77 L CB -0.055 42.006 42.059 0.004 0.000 0.989 77 L HN 0.372 nan 8.230 nan 0.000 0.467 78 D N -0.155 120.334 120.400 0.148 0.000 2.384 78 D HA -0.136 4.504 4.640 -0.000 0.000 0.222 78 D C 1.749 178.138 176.300 0.148 0.000 0.976 78 D CA 1.067 55.175 54.000 0.181 0.000 0.915 78 D CB -0.017 40.829 40.800 0.076 0.000 0.896 78 D HN 0.286 nan 8.370 nan 0.000 0.523 79 A N -0.133 122.764 122.820 0.128 0.000 2.021 79 A HA 0.022 4.342 4.320 -0.000 0.000 0.216 79 A C 0.435 178.056 177.584 0.061 0.000 1.163 79 A CA 0.273 52.358 52.037 0.079 0.000 0.676 79 A CB -0.255 18.787 19.000 0.071 0.000 0.818 79 A HN 0.194 nan 8.150 nan 0.000 0.453 80 N N 0.072 118.834 118.700 0.103 0.000 2.491 80 N HA 0.406 5.146 4.740 -0.000 0.000 0.274 80 N C -0.864 174.612 175.510 -0.057 0.000 1.023 80 N CA -0.299 52.765 53.050 0.023 0.000 0.902 80 N CB 1.349 39.857 38.487 0.035 0.000 1.267 80 N HN 0.147 nan 8.380 nan 0.000 0.503 81 R N 2.041 122.416 120.500 -0.208 0.000 2.868 81 R HA 0.300 4.640 4.340 -0.000 0.000 0.289 81 R C -2.492 173.575 176.300 -0.388 0.000 1.443 81 R CA -1.537 54.301 56.100 -0.436 0.000 1.651 81 R CB 0.376 30.501 30.300 -0.291 0.000 1.242 81 R HN 0.351 nan 8.270 nan 0.000 0.621 82 P HA -0.173 nan 4.420 nan 0.000 0.263 82 P C -0.467 176.740 177.300 -0.156 0.000 1.168 82 P CA 0.616 63.578 63.100 -0.230 0.000 0.759 82 P CB 0.260 31.853 31.700 -0.178 0.000 0.782 83 Y N 1.543 121.808 120.300 -0.059 0.000 2.480 83 Y HA 0.262 4.812 4.550 -0.000 0.000 0.338 83 Y C 2.158 178.074 175.900 0.027 0.000 1.220 83 Y CA 1.409 59.505 58.100 -0.006 0.000 1.430 83 Y CB -0.298 38.160 38.460 -0.003 0.000 1.311 83 Y HN 0.785 nan 8.280 nan 0.000 0.575 84 G N 1.846 110.808 108.800 0.270 0.000 2.257 84 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.267 84 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.267 84 G C 0.677 175.612 174.900 0.058 0.000 0.984 84 G CA 0.844 46.023 45.100 0.131 0.000 0.626 84 G HN 0.887 nan 8.290 nan 0.000 0.540 85 D N -1.869 118.573 120.400 0.070 0.000 2.911 85 D HA 0.081 4.721 4.640 -0.000 0.000 0.227 85 D C 1.815 178.180 176.300 0.108 0.000 1.164 85 D CA 3.220 57.270 54.000 0.084 0.000 0.782 85 D CB -1.272 39.594 40.800 0.109 0.000 1.094 85 D HN 2.150 nan 8.370 nan 0.000 0.425 86 G N -2.758 106.061 108.800 0.033 0.000 2.179 86 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.220 86 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.220 86 G C 0.154 174.928 174.900 -0.210 0.000 0.990 86 G CA 0.269 45.399 45.100 0.050 0.000 0.646 86 G HN 1.260 nan 8.290 nan 0.000 0.517 87 V N -0.173 119.524 119.914 -0.362 0.000 3.012 87 V HA 0.811 4.931 4.120 -0.000 0.000 0.307 87 V C -0.722 175.272 176.094 -0.167 0.000 1.166 87 V CA -0.193 61.870 62.300 -0.394 0.000 0.974 87 V CB 2.200 33.512 31.823 -0.851 0.000 1.040 87 V HN 1.234 nan 8.190 nan 0.000 0.428 88 V N 6.388 126.259 119.914 -0.071 0.000 2.459 88 V HA 0.948 5.068 4.120 -0.000 0.000 0.295 88 V C -0.146 175.974 176.094 0.043 0.000 1.029 88 V CA 0.716 63.008 62.300 -0.013 0.000 0.874 88 V CB 1.885 33.687 31.823 -0.035 0.000 0.985 88 V HN 1.281 nan 8.190 nan 0.000 0.438 89 T N 2.868 117.483 114.554 0.102 0.000 2.906 89 T HA 0.980 5.330 4.350 -0.000 0.000 0.295 89 T C -0.182 174.651 174.700 0.222 0.000 1.061 89 T CA -0.172 62.019 62.100 0.151 0.000 1.000 89 T CB 1.687 70.607 68.868 0.087 0.000 1.103 89 T HN 1.743 nan 8.240 nan 0.000 0.486 90 G N 0.559 109.504 108.800 0.240 0.000 2.322 90 G HA2 0.501 4.461 3.960 -0.000 0.000 0.295 90 G HA3 0.501 4.461 3.960 -0.000 0.000 0.295 90 G C -1.876 173.081 174.900 0.096 0.000 1.369 90 G CA -0.652 44.494 45.100 0.077 0.000 0.821 90 G HN 1.226 nan 8.290 nan 0.000 0.536 91 Y N -0.943 119.278 120.300 -0.132 0.000 2.602 91 Y HA 0.932 5.482 4.550 -0.000 0.000 0.330 91 Y C 0.529 176.451 175.900 0.037 0.000 1.114 91 Y CA -0.759 57.316 58.100 -0.042 0.000 1.182 91 Y CB 1.849 40.195 38.460 -0.191 0.000 1.305 91 Y HN 1.459 nan 8.280 nan 0.000 0.502 92 G N -0.211 108.788 108.800 0.332 0.000 2.494 92 G HA2 0.496 4.456 3.960 -0.000 0.000 0.308 92 G HA3 0.496 4.456 3.960 -0.000 0.000 0.308 92 G C -1.496 173.528 174.900 0.206 0.000 1.263 92 G CA -0.481 44.750 45.100 0.219 0.000 0.840 92 G HN 1.158 nan 8.290 nan 0.000 0.479 93 T N -2.532 112.101 114.554 0.131 0.000 2.893 93 T HA 0.700 5.050 4.350 -0.000 0.000 0.291 93 T C -1.225 173.508 174.700 0.054 0.000 1.028 93 T CA -0.725 61.429 62.100 0.090 0.000 0.995 93 T CB 1.950 70.862 68.868 0.073 0.000 1.051 93 T HN 0.934 nan 8.240 nan 0.000 0.470 94 V N 2.927 122.859 119.914 0.031 0.000 2.407 94 V HA 0.376 4.496 4.120 -0.000 0.000 0.291 94 V C -0.457 175.632 176.094 -0.009 0.000 1.018 94 V CA -0.587 61.715 62.300 0.004 0.000 0.842 94 V CB 1.050 32.866 31.823 -0.012 0.000 0.996 94 V HN 1.132 nan 8.190 nan 0.000 0.426 95 D N 4.365 124.759 120.400 -0.010 0.000 2.708 95 D HA -0.197 4.443 4.640 -0.000 0.000 0.236 95 D C 1.345 177.650 176.300 0.008 0.000 1.146 95 D CA 1.729 55.725 54.000 -0.007 0.000 0.662 95 D CB -1.088 39.700 40.800 -0.019 0.000 1.059 95 D HN 1.415 nan 8.370 nan 0.000 0.428 96 G N -0.589 108.219 108.800 0.013 0.000 2.184 96 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.264 96 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.264 96 G C 0.307 175.216 174.900 0.015 0.000 0.975 96 G CA 0.567 45.678 45.100 0.019 0.000 0.642 96 G HN 0.548 nan 8.290 nan 0.000 0.536 97 R N 0.661 121.167 120.500 0.009 0.000 2.460 97 R HA 0.510 4.850 4.340 -0.000 0.000 0.303 97 R C -2.759 173.556 176.300 0.024 0.000 0.968 97 R CA -2.110 53.991 56.100 0.001 0.000 0.889 97 R CB 1.534 31.818 30.300 -0.027 0.000 1.123 97 R HN 0.054 nan 8.270 nan 0.000 0.455 98 P HA 0.058 nan 4.420 nan 0.000 0.268 98 P C -0.795 176.552 177.300 0.079 0.000 1.204 98 P CA -0.078 63.065 63.100 0.072 0.000 0.768 98 P CB 0.772 32.500 31.700 0.047 0.000 0.842 99 V N 1.777 121.770 119.914 0.131 0.000 3.114 99 V HA 0.802 4.922 4.120 -0.000 0.000 0.308 99 V C -0.425 175.795 176.094 0.210 0.000 1.168 99 V CA -0.955 61.421 62.300 0.126 0.000 1.015 99 V CB 2.310 34.180 31.823 0.079 0.000 1.050 99 V HN 0.627 nan 8.190 nan 0.000 0.433 100 A N 1.594 124.534 122.820 0.200 0.000 2.386 100 A HA 0.946 5.266 4.320 -0.000 0.000 0.311 100 A C -1.317 176.366 177.584 0.166 0.000 1.068 100 A CA -0.703 51.484 52.037 0.250 0.000 0.743 100 A CB 1.992 21.192 19.000 0.333 0.000 1.258 100 A HN 1.166 nan 8.150 nan 0.000 0.429 101 V N 2.843 122.854 119.914 0.161 0.000 2.971 101 V HA 0.864 4.984 4.120 -0.000 0.000 0.309 101 V C -1.908 174.267 176.094 0.135 0.000 1.130 101 V CA -0.781 61.557 62.300 0.064 0.000 0.964 101 V CB 1.903 33.732 31.823 0.010 0.000 1.029 101 V HN 1.313 nan 8.190 nan 0.000 0.427 102 F N 3.472 123.446 119.950 0.040 0.000 2.556 102 F HA 0.889 5.416 4.527 -0.000 0.000 0.314 102 F C -0.628 175.166 175.800 -0.010 0.000 1.106 102 F CA -0.950 57.055 58.000 0.009 0.000 0.911 102 F CB 1.861 40.872 39.000 0.018 0.000 1.190 102 F HN 0.425 nan 8.300 nan 0.000 0.448 103 S N 2.992 118.803 115.700 0.185 0.000 2.733 103 S HA 0.398 4.868 4.470 -0.000 0.000 0.294 103 S C -1.224 173.444 174.600 0.113 0.000 1.149 103 S CA -0.593 57.663 58.200 0.093 0.000 1.034 103 S CB 0.952 64.132 63.200 -0.034 0.000 1.015 103 S HN 0.781 nan 8.310 nan 0.000 0.486 104 Q N 2.597 122.505 119.800 0.180 0.000 2.286 104 Q HA 0.244 4.584 4.340 -0.000 0.000 0.257 104 Q C -0.852 175.222 176.000 0.123 0.000 0.941 104 Q CA -0.440 55.444 55.803 0.135 0.000 0.912 104 Q CB 0.812 29.728 28.738 0.297 0.000 1.192 104 Q HN 0.492 nan 8.270 nan 0.000 0.410 105 D N 2.719 123.166 120.400 0.079 0.000 2.468 105 D HA 0.031 4.671 4.640 -0.000 0.000 0.218 105 D C 0.077 176.489 176.300 0.187 0.000 1.155 105 D CA -0.288 53.776 54.000 0.107 0.000 0.924 105 D CB 0.063 40.889 40.800 0.043 0.000 1.029 105 D HN 0.592 nan 8.370 nan 0.000 0.515 106 F N 2.251 122.244 119.950 0.071 0.000 2.214 106 F HA -0.301 4.226 4.527 -0.000 0.000 0.302 106 F C 2.290 178.119 175.800 0.049 0.000 1.063 106 F CA 1.781 59.828 58.000 0.078 0.000 1.319 106 F CB 0.366 39.400 39.000 0.058 0.000 1.046 106 F HN 0.372 nan 8.300 nan 0.000 0.505 107 T N -3.435 111.292 114.554 0.290 0.000 3.129 107 T HA 0.054 4.404 4.350 -0.000 0.000 0.251 107 T C 1.425 176.141 174.700 0.026 0.000 1.117 107 T CA 0.866 63.064 62.100 0.164 0.000 1.034 107 T CB -0.227 68.682 68.868 0.067 0.000 0.968 107 T HN 0.084 nan 8.240 nan 0.000 0.526 108 V N -0.523 119.388 119.914 -0.005 0.000 3.307 108 V HA 0.428 4.548 4.120 -0.000 0.000 0.253 108 V C 0.256 176.035 176.094 -0.526 0.000 1.149 108 V CA 0.466 62.645 62.300 -0.202 0.000 1.112 108 V CB -0.527 31.247 31.823 -0.081 0.000 0.777 108 V HN 0.465 nan 8.190 nan 0.000 0.464 109 F N -1.658 118.319 119.950 0.045 0.000 3.169 109 F HA 0.493 5.020 4.527 -0.000 0.000 0.325 109 F C 1.347 177.099 175.800 -0.080 0.000 1.175 109 F CA -0.337 57.667 58.000 0.006 0.000 0.887 109 F CB 0.297 39.299 39.000 0.003 0.000 1.457 109 F HN -0.207 nan 8.300 nan 0.000 0.496 110 G N 0.048 108.886 108.800 0.064 0.000 2.663 110 G HA2 0.245 4.205 3.960 -0.000 0.000 0.212 110 G HA3 0.245 4.205 3.960 -0.000 0.000 0.212 110 G C 1.177 175.770 174.900 -0.512 0.000 1.142 110 G CA 1.116 46.039 45.100 -0.295 0.000 0.762 110 G HN 1.790 nan 8.290 nan 0.000 0.551 111 G N -1.827 106.881 108.800 -0.154 0.000 2.175 111 G HA2 0.116 4.076 3.960 -0.000 0.000 0.244 111 G HA3 0.116 4.076 3.960 -0.000 0.000 0.244 111 G C 0.594 175.549 174.900 0.091 0.000 0.982 111 G CA 0.423 45.527 45.100 0.008 0.000 0.641 111 G HN 1.553 nan 8.290 nan 0.000 0.527 112 A N 0.162 122.983 122.820 0.002 0.000 2.567 112 A HA 0.519 4.839 4.320 -0.000 0.000 0.240 112 A C 0.682 178.040 177.584 -0.376 0.000 1.053 112 A CA 0.735 52.684 52.037 -0.147 0.000 0.755 112 A CB 0.317 19.227 19.000 -0.150 0.000 0.978 112 A HN 1.622 nan 8.150 nan 0.000 0.507 113 L N 3.350 124.168 121.223 -0.674 0.000 2.380 113 L HA 0.610 4.950 4.340 -0.000 0.000 0.273 113 L C 0.657 177.049 176.870 -0.797 0.000 1.138 113 L CA 0.707 54.756 54.840 -1.317 0.000 0.832 113 L CB 0.801 42.098 42.059 -1.269 0.000 1.124 113 L HN 0.779 nan 8.230 nan 0.000 0.454 114 G N 2.435 110.842 108.800 -0.655 0.000 2.949 114 G HA2 0.197 4.157 3.960 -0.000 0.000 0.285 114 G HA3 0.197 4.157 3.960 -0.000 0.000 0.285 114 G C -0.035 174.752 174.900 -0.187 0.000 1.395 114 G CA -0.030 44.886 45.100 -0.307 0.000 0.901 114 G HN 0.708 nan 8.290 nan 0.000 0.519 115 E N -1.035 119.095 120.200 -0.117 0.000 2.038 115 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 115 E C 2.299 178.892 176.600 -0.012 0.000 1.000 115 E CA 1.690 58.043 56.400 -0.078 0.000 0.803 115 E CB -0.043 29.620 29.700 -0.063 0.000 0.750 115 E HN 0.186 nan 8.360 nan 0.000 0.448 116 V N 0.472 120.417 119.914 0.050 0.000 2.283 116 V HA -0.230 3.890 4.120 -0.000 0.000 0.243 116 V C 2.046 178.196 176.094 0.093 0.000 1.039 116 V CA 1.965 64.309 62.300 0.073 0.000 1.016 116 V CB -0.831 31.055 31.823 0.105 0.000 0.650 116 V HN 0.427 nan 8.190 nan 0.000 0.449 117 Y N 1.547 121.826 120.300 -0.036 0.000 1.967 117 Y HA -0.429 4.121 4.550 -0.000 0.000 0.255 117 Y C 2.396 178.207 175.900 -0.149 0.000 1.197 117 Y CA 2.294 60.348 58.100 -0.077 0.000 1.088 117 Y CB -0.852 37.554 38.460 -0.091 0.000 0.917 117 Y HN 0.273 nan 8.280 nan 0.000 0.497 118 G N -0.992 107.898 108.800 0.150 0.000 2.469 118 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.219 118 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.219 118 G C 1.339 176.202 174.900 -0.062 0.000 1.150 118 G CA 1.210 46.275 45.100 -0.059 0.000 0.763 118 G HN 0.585 nan 8.290 nan 0.000 0.561 119 Q N -0.112 119.671 119.800 -0.028 0.000 2.167 119 Q HA -0.017 4.323 4.340 -0.000 0.000 0.202 119 Q C 2.602 178.590 176.000 -0.021 0.000 0.970 119 Q CA 1.090 56.879 55.803 -0.024 0.000 0.855 119 Q CB -0.073 28.663 28.738 -0.005 0.000 0.911 119 Q HN 0.450 nan 8.270 nan 0.000 0.438 120 K N 0.585 120.971 120.400 -0.024 0.000 2.002 120 K HA -0.118 4.202 4.320 -0.000 0.000 0.209 120 K C 2.073 178.643 176.600 -0.050 0.000 1.048 120 K CA 1.174 57.440 56.287 -0.036 0.000 0.930 120 K CB -0.150 32.315 32.500 -0.059 0.000 0.714 120 K HN 0.163 nan 8.250 nan 0.000 0.438 121 I N 0.915 121.408 120.570 -0.129 0.000 2.087 121 I HA -0.353 3.817 4.170 -0.000 0.000 0.240 121 I C 2.318 178.390 176.117 -0.074 0.000 1.054 121 I CA 1.456 62.627 61.300 -0.214 0.000 1.311 121 I CB -0.595 37.119 38.000 -0.478 0.000 1.024 121 I HN -0.015 nan 8.210 nan 0.000 0.402 122 V N 0.901 120.775 119.914 -0.067 0.000 2.332 122 V HA -0.344 3.776 4.120 -0.000 0.000 0.248 122 V C 2.559 178.676 176.094 0.039 0.000 1.055 122 V CA 2.279 64.570 62.300 -0.015 0.000 1.038 122 V CB -0.721 31.085 31.823 -0.029 0.000 0.651 122 V HN 0.411 nan 8.190 nan 0.000 0.450 123 K N 0.278 120.699 120.400 0.035 0.000 2.052 123 K HA -0.252 4.068 4.320 -0.000 0.000 0.215 123 K C 1.892 178.568 176.600 0.127 0.000 1.053 123 K CA 2.616 58.943 56.287 0.066 0.000 0.934 123 K CB -0.407 32.114 32.500 0.036 0.000 0.717 123 K HN 0.500 nan 8.250 nan 0.000 0.450 124 V N -1.583 118.408 119.914 0.129 0.000 2.407 124 V HA -0.155 3.965 4.120 -0.000 0.000 0.245 124 V C 2.278 178.528 176.094 0.260 0.000 1.041 124 V CA 1.665 64.090 62.300 0.208 0.000 1.040 124 V CB -0.725 31.220 31.823 0.204 0.000 0.671 124 V HN 0.262 nan 8.190 nan 0.000 0.455 125 M N 0.675 120.395 119.600 0.200 0.000 2.143 125 M HA -0.221 4.259 4.480 -0.000 0.000 0.258 125 M C 1.961 178.355 176.300 0.157 0.000 1.071 125 M CA 2.322 57.730 55.300 0.180 0.000 1.088 125 M CB -0.769 31.913 32.600 0.137 0.000 1.360 125 M HN 0.366 nan 8.290 nan 0.000 0.404 126 D N -0.370 120.118 120.400 0.147 0.000 2.224 126 D HA -0.077 4.563 4.640 -0.000 0.000 0.205 126 D C 1.641 178.017 176.300 0.127 0.000 0.965 126 D CA 0.910 54.981 54.000 0.118 0.000 0.852 126 D CB -0.201 40.659 40.800 0.099 0.000 0.947 126 D HN 0.283 nan 8.370 nan 0.000 0.494 127 F N 1.730 121.707 119.950 0.044 0.000 2.113 127 F HA -0.089 4.438 4.527 -0.000 0.000 0.297 127 F C 2.152 177.967 175.800 0.025 0.000 1.103 127 F CA 1.398 59.414 58.000 0.027 0.000 1.248 127 F CB -0.136 38.889 39.000 0.043 0.000 0.999 127 F HN -0.080 nan 8.300 nan 0.000 0.475 128 A N 0.509 123.427 122.820 0.163 0.000 1.832 128 A HA -0.161 4.159 4.320 -0.000 0.000 0.214 128 A C 2.091 179.662 177.584 -0.022 0.000 1.200 128 A CA 1.630 53.709 52.037 0.069 0.000 0.610 128 A CB -1.476 17.621 19.000 0.161 0.000 0.842 128 A HN 0.446 nan 8.150 nan 0.000 0.444 129 L N 0.441 121.685 121.223 0.034 0.000 2.034 129 L HA -0.273 4.067 4.340 -0.000 0.000 0.217 129 L C 2.452 179.299 176.870 -0.038 0.000 1.077 129 L CA 2.903 57.757 54.840 0.022 0.000 0.769 129 L CB -0.557 41.536 42.059 0.057 0.000 0.890 129 L HN 0.580 nan 8.230 nan 0.000 0.435 130 K N -1.578 118.772 120.400 -0.084 0.000 2.147 130 K HA -0.143 4.177 4.320 -0.000 0.000 0.205 130 K C 1.549 178.025 176.600 -0.207 0.000 1.049 130 K CA 1.776 57.983 56.287 -0.134 0.000 0.936 130 K CB -0.165 32.253 32.500 -0.137 0.000 0.722 130 K HN 0.612 nan 8.250 nan 0.000 0.446 131 T N -3.320 111.045 114.554 -0.315 0.000 3.069 131 T HA 0.216 4.566 4.350 -0.000 0.000 0.252 131 T C 0.844 175.437 174.700 -0.178 0.000 1.053 131 T CA 0.197 62.105 62.100 -0.321 0.000 0.964 131 T CB 0.368 68.904 68.868 -0.553 0.000 1.005 131 T HN 0.320 nan 8.240 nan 0.000 0.532 132 G N 1.807 110.538 108.800 -0.116 0.000 2.367 132 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.295 132 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.295 132 G C 0.190 175.073 174.900 -0.028 0.000 1.019 132 G CA -0.011 45.063 45.100 -0.043 0.000 1.224 132 G HN 1.409 nan 8.290 nan 0.000 0.510 133 C N -1.063 118.229 119.300 -0.014 0.000 2.848 133 C HA 0.985 5.445 4.460 -0.000 0.000 0.317 133 C C -1.961 173.052 174.990 0.039 0.000 1.260 133 C CA -2.688 56.337 59.018 0.012 0.000 1.656 133 C CB 1.911 29.669 27.740 0.030 0.000 2.174 133 C HN 0.341 nan 8.230 nan 0.000 0.479 134 P HA 0.280 nan 4.420 nan 0.000 0.270 134 P C -0.847 176.495 177.300 0.070 0.000 1.227 134 P CA 0.015 63.127 63.100 0.020 0.000 0.788 134 P CB 0.348 32.035 31.700 -0.020 0.000 0.926 135 V N 2.208 122.168 119.914 0.076 0.000 2.487 135 V HA 0.277 4.397 4.120 -0.000 0.000 0.298 135 V C -0.164 175.952 176.094 0.037 0.000 1.028 135 V CA -0.578 61.782 62.300 0.099 0.000 0.860 135 V CB 2.095 34.012 31.823 0.156 0.000 0.991 135 V HN 0.172 nan 8.190 nan 0.000 0.427 136 V N 3.631 123.532 119.914 -0.021 0.000 2.384 136 V HA 0.754 4.874 4.120 -0.000 0.000 0.287 136 V C 0.656 176.539 176.094 -0.351 0.000 1.020 136 V CA -0.352 61.883 62.300 -0.109 0.000 0.850 136 V CB 1.693 33.471 31.823 -0.075 0.000 0.987 136 V HN 0.948 nan 8.190 nan 0.000 0.436 137 G N 4.942 113.428 108.800 -0.524 0.000 2.422 137 G HA2 0.702 4.662 3.960 -0.000 0.000 0.317 137 G HA3 0.702 4.662 3.960 -0.000 0.000 0.317 137 G C -0.706 173.767 174.900 -0.712 0.000 1.210 137 G CA -0.520 43.747 45.100 -1.388 0.000 0.930 137 G HN 0.655 nan 8.290 nan 0.000 0.468 138 I N 2.868 123.062 120.570 -0.626 0.000 2.306 138 I HA 0.193 4.363 4.170 -0.000 0.000 0.288 138 I C -0.444 175.697 176.117 0.041 0.000 1.036 138 I CA -0.735 60.465 61.300 -0.168 0.000 1.221 138 I CB 1.019 38.954 38.000 -0.110 0.000 1.385 138 I HN 0.320 nan 8.210 nan 0.000 0.472 139 N N 5.999 124.758 118.700 0.098 0.000 2.457 139 N HA 0.215 4.955 4.740 -0.000 0.000 0.250 139 N C -0.946 174.671 175.510 0.178 0.000 0.982 139 N CA -0.216 52.950 53.050 0.194 0.000 0.941 139 N CB 1.909 40.511 38.487 0.191 0.000 1.120 139 N HN 0.516 nan 8.380 nan 0.000 0.505 140 D N 1.082 121.609 120.400 0.211 0.000 2.586 140 D HA 0.132 4.772 4.640 -0.000 0.000 0.254 140 D C -1.433 174.972 176.300 0.175 0.000 1.248 140 D CA -0.107 54.040 54.000 0.245 0.000 0.843 140 D CB 0.366 41.333 40.800 0.277 0.000 1.332 140 D HN 0.320 nan 8.370 nan 0.000 0.523 141 S N 0.519 116.262 115.700 0.072 0.000 2.649 141 S HA 0.500 4.970 4.470 -0.000 0.000 0.274 141 S C 1.211 175.733 174.600 -0.130 0.000 1.176 141 S CA -0.121 58.050 58.200 -0.048 0.000 0.988 141 S CB 1.098 64.332 63.200 0.057 0.000 1.071 141 S HN 0.233 nan 8.310 nan 0.000 0.478 142 G N 2.568 111.225 108.800 -0.238 0.000 2.501 142 G HA2 0.388 4.348 3.960 -0.000 0.000 0.220 142 G HA3 0.388 4.348 3.960 -0.000 0.000 0.220 142 G C 0.983 175.815 174.900 -0.114 0.000 1.114 142 G CA 0.778 45.776 45.100 -0.169 0.000 0.757 142 G HN 1.676 nan 8.290 nan 0.000 0.559 143 G N -1.188 107.554 108.800 -0.096 0.000 2.286 143 G HA2 0.461 4.421 3.960 -0.000 0.000 0.118 143 G HA3 0.461 4.421 3.960 -0.000 0.000 0.118 143 G C -0.525 174.368 174.900 -0.012 0.000 1.267 143 G CA -0.102 44.969 45.100 -0.049 0.000 1.171 143 G HN 1.121 nan 8.290 nan 0.000 0.465 144 A N 0.650 123.480 122.820 0.016 0.000 2.289 144 A HA 0.670 4.990 4.320 -0.000 0.000 0.298 144 A C 0.823 178.324 177.584 -0.138 0.000 1.208 144 A CA 0.405 52.432 52.037 -0.017 0.000 0.845 144 A CB 0.044 19.103 19.000 0.099 0.000 1.125 144 A HN 1.331 nan 8.150 nan 0.000 0.517 145 R N 4.085 124.438 120.500 -0.246 0.000 2.351 145 R HA 0.166 4.506 4.340 -0.000 0.000 0.321 145 R C 0.309 176.438 176.300 -0.285 0.000 1.182 145 R CA -0.491 55.427 56.100 -0.303 0.000 1.011 145 R CB -0.276 29.742 30.300 -0.471 0.000 1.048 145 R HN 0.667 nan 8.270 nan 0.000 0.490 146 I N 1.147 121.579 120.570 -0.229 0.000 2.300 146 I HA -0.343 3.827 4.170 -0.000 0.000 0.252 146 I C 1.292 177.192 176.117 -0.361 0.000 1.119 146 I CA 1.289 62.455 61.300 -0.224 0.000 1.384 146 I CB -0.999 36.906 38.000 -0.158 0.000 1.062 146 I HN 0.543 nan 8.210 nan 0.000 0.426 147 Q N 1.437 120.940 119.800 -0.495 0.000 2.152 147 Q HA -0.190 4.150 4.340 -0.000 0.000 0.206 147 Q C 2.089 177.770 176.000 -0.532 0.000 0.985 147 Q CA 1.656 57.005 55.803 -0.757 0.000 0.863 147 Q CB -0.339 28.001 28.738 -0.664 0.000 0.904 147 Q HN 0.635 nan 8.270 nan 0.000 0.422 148 E N -0.609 119.367 120.200 -0.374 0.000 2.285 148 E HA 0.082 4.432 4.350 -0.000 0.000 0.194 148 E C 1.116 177.591 176.600 -0.209 0.000 0.997 148 E CA 0.405 56.643 56.400 -0.271 0.000 0.845 148 E CB 0.009 29.565 29.700 -0.240 0.000 0.782 148 E HN 0.359 nan 8.360 nan 0.000 0.491 149 G N 1.236 109.911 108.800 -0.208 0.000 2.509 149 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.259 149 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.259 149 G C 1.120 175.964 174.900 -0.094 0.000 1.169 149 G CA 0.872 45.890 45.100 -0.136 0.000 0.953 149 G HN 0.410 nan 8.290 nan 0.000 0.563 150 V N -1.070 118.807 119.914 -0.062 0.000 2.568 150 V HA 0.153 4.273 4.120 -0.000 0.000 0.253 150 V C 3.222 179.289 176.094 -0.046 0.000 1.072 150 V CA 3.003 65.281 62.300 -0.036 0.000 1.084 150 V CB -1.732 30.077 31.823 -0.023 0.000 0.676 150 V HN 2.380 nan 8.190 nan 0.000 0.469 151 A N 1.771 124.547 122.820 -0.073 0.000 1.915 151 A HA -0.293 4.027 4.320 -0.000 0.000 0.220 151 A C 2.671 180.187 177.584 -0.114 0.000 1.198 151 A CA 3.329 55.312 52.037 -0.089 0.000 0.647 151 A CB -1.245 17.689 19.000 -0.110 0.000 0.825 151 A HN 1.066 nan 8.150 nan 0.000 0.456 152 S N -0.424 115.195 115.700 -0.134 0.000 2.406 152 S HA -0.016 4.454 4.470 -0.000 0.000 0.228 152 S C 1.899 176.455 174.600 -0.072 0.000 1.020 152 S CA 1.218 59.299 58.200 -0.198 0.000 0.965 152 S CB -0.637 62.443 63.200 -0.201 0.000 0.798 152 S HN 0.471 nan 8.310 nan 0.000 0.488 153 L N 1.122 122.374 121.223 0.048 0.000 2.131 153 L HA 0.042 4.382 4.340 -0.000 0.000 0.210 153 L C 2.959 179.887 176.870 0.097 0.000 1.092 153 L CA 1.217 56.147 54.840 0.151 0.000 0.759 153 L CB -1.142 40.969 42.059 0.086 0.000 0.903 153 L HN 0.557 nan 8.230 nan 0.000 0.435 154 G N -0.566 108.239 108.800 0.008 0.000 2.403 154 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.216 154 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.216 154 G C 1.766 176.628 174.900 -0.064 0.000 1.154 154 G CA 0.692 45.783 45.100 -0.015 0.000 0.784 154 G HN 0.440 nan 8.290 nan 0.000 0.538 155 A N 0.041 122.775 122.820 -0.143 0.000 1.929 155 A HA 0.115 4.435 4.320 -0.000 0.000 0.216 155 A C 2.162 179.560 177.584 -0.310 0.000 1.176 155 A CA 1.154 53.053 52.037 -0.230 0.000 0.628 155 A CB -0.552 18.265 19.000 -0.305 0.000 0.816 155 A HN 0.326 nan 8.150 nan 0.000 0.444 156 Y N 0.312 120.435 120.300 -0.296 0.000 2.128 156 Y HA -0.148 4.402 4.550 -0.000 0.000 0.284 156 Y C 2.801 178.243 175.900 -0.763 0.000 1.154 156 Y CA 1.179 58.943 58.100 -0.561 0.000 1.149 156 Y CB -1.044 37.200 38.460 -0.360 0.000 0.976 156 Y HN 0.313 nan 8.280 nan 0.000 0.505 157 G N -0.921 107.828 108.800 -0.085 0.000 2.422 157 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 157 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 157 G C 1.526 176.420 174.900 -0.010 0.000 1.146 157 G CA 1.040 46.194 45.100 0.091 0.000 0.769 157 G HN 0.327 nan 8.290 nan 0.000 0.547 158 E N 0.201 120.358 120.200 -0.073 0.000 2.204 158 E HA -0.035 4.315 4.350 -0.000 0.000 0.195 158 E C 2.354 178.898 176.600 -0.093 0.000 0.990 158 E CA 0.594 56.953 56.400 -0.068 0.000 0.821 158 E CB -0.186 29.473 29.700 -0.070 0.000 0.750 158 E HN 0.581 nan 8.360 nan 0.000 0.477 159 I N -0.793 119.667 120.570 -0.185 0.000 2.339 159 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 159 I C 1.440 177.512 176.117 -0.075 0.000 1.096 159 I CA 0.362 61.551 61.300 -0.184 0.000 1.408 159 I CB -0.227 37.582 38.000 -0.318 0.000 1.092 159 I HN 0.064 nan 8.210 nan 0.000 0.423 160 F N 1.110 121.076 119.950 0.027 0.000 2.120 160 F HA -0.205 4.322 4.527 -0.000 0.000 0.300 160 F C 2.648 178.408 175.800 -0.066 0.000 1.095 160 F CA 1.268 59.273 58.000 0.007 0.000 1.249 160 F CB -1.007 38.001 39.000 0.014 0.000 0.995 160 F HN -0.028 nan 8.300 nan 0.000 0.480 161 R N 0.327 120.866 120.500 0.064 0.000 2.083 161 R HA -0.163 4.177 4.340 -0.000 0.000 0.237 161 R C 2.421 178.559 176.300 -0.270 0.000 1.137 161 R CA 1.588 57.581 56.100 -0.178 0.000 0.951 161 R CB -0.256 29.931 30.300 -0.188 0.000 0.851 161 R HN 0.174 nan 8.270 nan 0.000 0.434 162 R N 0.058 120.502 120.500 -0.094 0.000 2.096 162 R HA -0.066 4.274 4.340 -0.000 0.000 0.235 162 R C 2.090 178.425 176.300 0.059 0.000 1.127 162 R CA 1.500 57.596 56.100 -0.008 0.000 0.968 162 R CB -0.138 30.180 30.300 0.029 0.000 0.861 162 R HN 0.289 nan 8.270 nan 0.000 0.440 163 N N -0.420 118.329 118.700 0.082 0.000 2.069 163 N HA -0.140 4.600 4.740 -0.000 0.000 0.191 163 N C 1.640 177.214 175.510 0.106 0.000 1.031 163 N CA 2.016 55.142 53.050 0.127 0.000 0.852 163 N CB -0.567 38.030 38.487 0.184 0.000 1.018 163 N HN 0.182 nan 8.380 nan 0.000 0.423 164 T N 0.262 114.854 114.554 0.064 0.000 2.737 164 T HA -0.073 4.277 4.350 -0.000 0.000 0.265 164 T C 1.584 176.375 174.700 0.152 0.000 1.038 164 T CA 1.064 63.202 62.100 0.063 0.000 1.144 164 T CB -0.427 68.448 68.868 0.011 0.000 0.866 164 T HN 0.484 nan 8.240 nan 0.000 0.434 165 H N 0.327 119.425 119.070 0.047 0.000 2.457 165 H HA 0.177 4.733 4.556 -0.000 0.000 0.294 165 H C 2.301 177.654 175.328 0.042 0.000 1.064 165 H CA 0.547 56.617 56.048 0.037 0.000 1.330 165 H CB 0.085 29.870 29.762 0.039 0.000 1.395 165 H HN 0.358 nan 8.280 nan 0.000 0.541 166 A N 0.576 123.506 122.820 0.184 0.000 2.195 166 A HA 0.016 4.336 4.320 -0.000 0.000 0.210 166 A C 1.235 178.899 177.584 0.135 0.000 1.165 166 A CA -0.091 52.033 52.037 0.145 0.000 0.806 166 A CB 0.135 19.223 19.000 0.147 0.000 0.847 166 A HN 0.181 nan 8.150 nan 0.000 0.482 167 S N 0.265 116.034 115.700 0.115 0.000 2.555 167 S HA 0.358 4.828 4.470 -0.000 0.000 0.293 167 S C 1.368 175.985 174.600 0.029 0.000 1.248 167 S CA 0.908 59.161 58.200 0.089 0.000 1.096 167 S CB -0.399 62.833 63.200 0.052 0.000 0.881 167 S HN 1.837 nan 8.310 nan 0.000 0.498 168 G N 3.013 111.826 108.800 0.021 0.000 2.148 168 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.254 168 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.254 168 G C 0.513 175.253 174.900 -0.266 0.000 0.981 168 G CA 0.328 45.230 45.100 -0.330 0.000 0.670 168 G HN 0.813 nan 8.290 nan 0.000 0.528 169 V N 0.142 120.088 119.914 0.055 0.000 2.743 169 V HA 0.409 4.529 4.120 -0.000 0.000 0.237 169 V C 1.259 177.522 176.094 0.282 0.000 1.113 169 V CA 1.653 64.013 62.300 0.101 0.000 1.141 169 V CB 0.131 31.999 31.823 0.074 0.000 0.873 169 V HN 0.701 nan 8.190 nan 0.000 0.486 170 I N -1.579 119.180 120.570 0.316 0.000 2.569 170 I HA 0.622 4.792 4.170 -0.000 0.000 0.296 170 I C -3.001 173.250 176.117 0.223 0.000 1.028 170 I CA -2.730 58.725 61.300 0.259 0.000 1.082 170 I CB 1.949 40.029 38.000 0.134 0.000 1.264 170 I HN -0.042 nan 8.210 nan 0.000 0.429 171 P HA 0.109 nan 4.420 nan 0.000 0.266 171 P C -1.318 175.977 177.300 -0.007 0.000 1.195 171 P CA 0.183 63.111 63.100 -0.286 0.000 0.768 171 P CB 0.408 31.862 31.700 -0.410 0.000 0.838 172 Q N 2.180 122.017 119.800 0.062 0.000 2.309 172 Q HA 0.548 4.888 4.340 -0.000 0.000 0.270 172 Q C -0.811 175.268 176.000 0.131 0.000 1.023 172 Q CA -0.426 55.442 55.803 0.108 0.000 0.758 172 Q CB 1.667 30.489 28.738 0.141 0.000 1.247 172 Q HN 0.383 nan 8.270 nan 0.000 0.455 173 I N 1.483 122.123 120.570 0.117 0.000 2.389 173 I HA 0.267 4.437 4.170 -0.000 0.000 0.288 173 I C -0.517 175.657 176.117 0.095 0.000 0.999 173 I CA -0.218 61.172 61.300 0.149 0.000 1.129 173 I CB 2.072 40.147 38.000 0.125 0.000 1.288 173 I HN 0.434 nan 8.210 nan 0.000 0.444 174 S N 6.928 122.710 115.700 0.138 0.000 2.422 174 S HA 0.463 4.933 4.470 -0.000 0.000 0.308 174 S C -0.582 174.080 174.600 0.102 0.000 1.097 174 S CA -0.439 57.819 58.200 0.095 0.000 1.099 174 S CB 1.008 64.295 63.200 0.145 0.000 0.976 174 S HN 0.365 nan 8.310 nan 0.000 0.471 175 L N 5.780 127.027 121.223 0.041 0.000 2.257 175 L HA 0.520 4.860 4.340 -0.000 0.000 0.290 175 L C -0.923 175.980 176.870 0.056 0.000 1.044 175 L CA -0.197 54.679 54.840 0.059 0.000 0.810 175 L CB 0.813 42.891 42.059 0.032 0.000 1.193 175 L HN 0.416 nan 8.230 nan 0.000 0.425 176 V N 6.469 126.428 119.914 0.075 0.000 2.293 176 V HA 0.304 4.424 4.120 -0.000 0.000 0.275 176 V C 0.015 176.148 176.094 0.065 0.000 1.021 176 V CA -0.520 61.826 62.300 0.078 0.000 0.815 176 V CB 1.220 33.093 31.823 0.083 0.000 1.025 176 V HN 0.576 nan 8.190 nan 0.000 0.448 177 V N 1.982 121.942 119.914 0.076 0.000 2.446 177 V HA 0.988 5.108 4.120 -0.000 0.000 0.257 177 V C 0.472 176.636 176.094 0.117 0.000 1.036 177 V CA 0.154 62.498 62.300 0.073 0.000 1.196 177 V CB -0.116 31.743 31.823 0.060 0.000 1.446 177 V HN 1.065 nan 8.190 nan 0.000 0.558 178 G N 2.110 110.994 108.800 0.140 0.000 2.369 178 G HA2 0.304 4.264 3.960 -0.000 0.000 0.293 178 G HA3 0.304 4.264 3.960 -0.000 0.000 0.293 178 G C -3.589 171.437 174.900 0.211 0.000 1.301 178 G CA -0.453 44.786 45.100 0.231 0.000 0.913 178 G HN 0.289 nan 8.290 nan 0.000 0.540 179 P HA 0.397 nan 4.420 nan 0.000 0.276 179 P C -0.332 176.953 177.300 -0.025 0.000 1.243 179 P CA -0.036 63.116 63.100 0.087 0.000 0.768 179 P CB 1.352 33.099 31.700 0.078 0.000 0.856 180 C N 4.587 123.814 119.300 -0.121 0.000 2.258 180 C HA 0.737 5.197 4.460 -0.000 0.000 0.321 180 C C 0.244 175.010 174.990 -0.373 0.000 1.168 180 C CA -0.132 58.803 59.018 -0.138 0.000 1.531 180 C CB -1.151 26.561 27.740 -0.046 0.000 2.095 180 C HN 0.666 nan 8.230 nan 0.000 0.449 181 A N 4.925 127.523 122.820 -0.370 0.000 2.320 181 A HA 0.916 5.236 4.320 -0.000 0.000 0.334 181 A C 0.819 178.186 177.584 -0.362 0.000 1.147 181 A CA 0.639 52.350 52.037 -0.543 0.000 0.820 181 A CB 0.570 19.316 19.000 -0.423 0.000 1.218 181 A HN 2.511 nan 8.150 nan 0.000 0.482 182 G N 0.821 109.420 108.800 -0.336 0.000 2.550 182 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.277 182 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.277 182 G C 1.188 175.869 174.900 -0.365 0.000 1.190 182 G CA 0.658 45.601 45.100 -0.262 0.000 0.971 182 G HN 1.989 nan 8.290 nan 0.000 0.559 183 G N 0.226 108.785 108.800 -0.401 0.000 2.598 183 G HA2 0.386 4.346 3.960 -0.000 0.000 0.215 183 G HA3 0.386 4.346 3.960 -0.000 0.000 0.215 183 G C 1.992 176.661 174.900 -0.386 0.000 1.131 183 G CA 2.249 47.105 45.100 -0.408 0.000 0.785 183 G HN 1.831 nan 8.290 nan 0.000 0.539 184 A N 0.445 122.922 122.820 -0.572 0.000 1.940 184 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 184 A C 2.529 180.096 177.584 -0.029 0.000 1.176 184 A CA 1.665 53.548 52.037 -0.256 0.000 0.631 184 A CB -0.809 18.153 19.000 -0.063 0.000 0.814 184 A HN 0.451 nan 8.150 nan 0.000 0.446 185 V N -1.163 118.626 119.914 -0.208 0.000 2.428 185 V HA -0.301 3.819 4.120 -0.000 0.000 0.255 185 V C 2.195 178.246 176.094 -0.070 0.000 1.080 185 V CA 2.308 64.487 62.300 -0.203 0.000 1.083 185 V CB -0.765 30.827 31.823 -0.385 0.000 0.665 185 V HN 0.691 nan 8.190 nan 0.000 0.461 186 Y N -0.335 119.960 120.300 -0.008 0.000 2.516 186 Y HA 0.022 4.572 4.550 -0.000 0.000 0.291 186 Y C 2.706 178.664 175.900 0.096 0.000 1.131 186 Y CA 0.899 58.940 58.100 -0.097 0.000 1.281 186 Y CB -0.865 37.323 38.460 -0.454 0.000 1.013 186 Y HN 0.317 nan 8.280 nan 0.000 0.554 187 S N 0.372 116.399 115.700 0.545 0.000 2.336 187 S HA -0.087 4.383 4.470 -0.000 0.000 0.214 187 S C -0.433 174.348 174.600 0.302 0.000 1.032 187 S CA 1.163 59.673 58.200 0.517 0.000 1.001 187 S CB -1.088 62.364 63.200 0.421 0.000 0.953 187 S HN 0.161 nan 8.310 nan 0.000 0.430 188 P HA -0.072 nan 4.420 nan 0.000 0.217 188 P C 1.290 178.683 177.300 0.154 0.000 1.148 188 P CA 1.556 64.771 63.100 0.191 0.000 0.834 188 P CB -0.256 31.536 31.700 0.154 0.000 0.783 189 A N -0.877 122.027 122.820 0.140 0.000 1.978 189 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 189 A C 2.119 179.748 177.584 0.075 0.000 1.170 189 A CA 1.560 53.653 52.037 0.093 0.000 0.636 189 A CB -1.472 17.602 19.000 0.124 0.000 0.810 189 A HN 0.196 nan 8.150 nan 0.000 0.448 190 I N 0.023 120.651 120.570 0.098 0.000 3.030 190 I HA -0.042 4.128 4.170 -0.000 0.000 0.270 190 I C 1.418 177.587 176.117 0.087 0.000 1.211 190 I CA 0.611 61.953 61.300 0.070 0.000 1.479 190 I CB -0.389 37.657 38.000 0.077 0.000 1.105 190 I HN 0.405 nan 8.210 nan 0.000 0.447 191 T N -1.612 113.015 114.554 0.122 0.000 2.856 191 T HA -0.017 4.333 4.350 -0.000 0.000 0.306 191 T C 0.906 175.637 174.700 0.053 0.000 1.062 191 T CA -0.325 61.845 62.100 0.116 0.000 1.083 191 T CB 0.892 69.851 68.868 0.153 0.000 0.984 191 T HN 0.134 nan 8.240 nan 0.000 0.542 192 D N 0.391 120.781 120.400 -0.017 0.000 2.149 192 D HA 0.048 4.688 4.640 -0.000 0.000 0.201 192 D C 0.015 175.898 176.300 -0.695 0.000 0.972 192 D CA 1.237 55.054 54.000 -0.304 0.000 0.835 192 D CB 0.047 40.680 40.800 -0.278 0.000 0.966 192 D HN 0.549 nan 8.370 nan 0.000 0.476 193 F N -0.022 119.935 119.950 0.012 0.000 2.561 193 F HA 0.272 4.799 4.527 -0.000 0.000 0.313 193 F C -0.135 175.791 175.800 0.211 0.000 1.126 193 F CA -0.785 57.175 58.000 -0.066 0.000 0.918 193 F CB 2.456 41.444 39.000 -0.021 0.000 1.199 193 F HN -0.467 nan 8.300 nan 0.000 0.444 194 T N 3.222 118.185 114.554 0.682 0.000 2.792 194 T HA 0.613 4.963 4.350 -0.000 0.000 0.280 194 T C -0.853 174.060 174.700 0.354 0.000 0.990 194 T CA -0.586 61.760 62.100 0.410 0.000 0.960 194 T CB 1.524 70.551 68.868 0.265 0.000 0.939 194 T HN 0.248 nan 8.240 nan 0.000 0.439 195 V N 5.809 125.868 119.914 0.241 0.000 2.495 195 V HA 0.714 4.834 4.120 -0.000 0.000 0.298 195 V C -0.078 176.078 176.094 0.103 0.000 1.031 195 V CA -0.848 61.558 62.300 0.176 0.000 0.871 195 V CB 1.366 33.314 31.823 0.209 0.000 0.988 195 V HN 0.939 nan 8.190 nan 0.000 0.432 196 M N 4.664 124.289 119.600 0.041 0.000 2.575 196 M HA 0.909 5.389 4.480 -0.000 0.000 0.284 196 M C -0.976 175.296 176.300 -0.046 0.000 1.253 196 M CA -0.970 54.334 55.300 0.006 0.000 0.861 196 M CB 2.290 34.891 32.600 0.002 0.000 1.733 196 M HN 0.395 nan 8.290 nan 0.000 0.462 197 V N -1.456 118.432 119.914 -0.043 0.000 2.732 197 V HA 0.421 4.541 4.120 -0.000 0.000 0.310 197 V C 0.589 176.636 176.094 -0.080 0.000 1.053 197 V CA -0.304 61.965 62.300 -0.053 0.000 0.957 197 V CB 1.645 33.461 31.823 -0.013 0.000 1.018 197 V HN 1.018 nan 8.190 nan 0.000 0.452 198 D N 1.817 122.174 120.400 -0.071 0.000 2.321 198 D HA -0.209 4.431 4.640 -0.000 0.000 0.194 198 D C 1.596 177.856 176.300 -0.066 0.000 1.013 198 D CA 2.514 56.474 54.000 -0.068 0.000 0.863 198 D CB 0.238 41.014 40.800 -0.040 0.000 1.011 198 D HN 0.810 nan 8.370 nan 0.000 0.457 199 Q N -1.395 118.394 119.800 -0.019 0.000 2.217 199 Q HA 0.094 4.434 4.340 -0.000 0.000 0.217 199 Q C 0.763 176.823 176.000 0.100 0.000 0.844 199 Q CA 0.277 56.107 55.803 0.045 0.000 0.957 199 Q CB 1.189 29.965 28.738 0.062 0.000 1.127 199 Q HN 0.400 nan 8.270 nan 0.000 0.503 200 T N -2.525 112.048 114.554 0.031 0.000 3.296 200 T HA 0.460 4.810 4.350 -0.000 0.000 0.285 200 T C 0.119 174.861 174.700 0.069 0.000 1.014 200 T CA -0.393 61.755 62.100 0.081 0.000 0.920 200 T CB 0.223 69.121 68.868 0.049 0.000 1.143 200 T HN -0.127 nan 8.240 nan 0.000 0.522 201 S N 1.110 116.772 115.700 -0.064 0.000 2.543 201 S HA 0.584 5.054 4.470 -0.000 0.000 0.273 201 S C -1.518 172.840 174.600 -0.404 0.000 1.152 201 S CA -0.911 57.247 58.200 -0.070 0.000 0.910 201 S CB 1.449 64.615 63.200 -0.057 0.000 1.105 201 S HN 0.499 nan 8.310 nan 0.000 0.465 202 H N 1.408 120.536 119.070 0.096 0.000 3.046 202 H HA 0.502 5.058 4.556 -0.000 0.000 0.363 202 H C -1.301 174.035 175.328 0.014 0.000 1.203 202 H CA -0.734 55.374 56.048 0.101 0.000 1.169 202 H CB 1.743 31.625 29.762 0.202 0.000 1.851 202 H HN 0.472 nan 8.280 nan 0.000 0.546 203 M N 3.044 122.768 119.600 0.206 0.000 2.393 203 M HA 0.494 4.974 4.480 -0.000 0.000 0.299 203 M C -1.510 174.902 176.300 0.188 0.000 1.103 203 M CA -0.818 54.503 55.300 0.036 0.000 0.910 203 M CB 2.401 35.068 32.600 0.112 0.000 1.659 203 M HN 0.485 nan 8.290 nan 0.000 0.445 204 F N 0.052 119.989 119.950 -0.021 0.000 2.669 204 F HA 0.427 4.954 4.527 -0.000 0.000 0.315 204 F C -0.229 175.482 175.800 -0.150 0.000 1.109 204 F CA -1.255 56.705 58.000 -0.068 0.000 1.028 204 F CB 0.085 39.031 39.000 -0.090 0.000 1.287 204 F HN 0.475 nan 8.300 nan 0.000 0.452 205 I N -0.351 120.217 120.570 -0.003 0.000 2.761 205 I HA 0.124 4.294 4.170 -0.000 0.000 0.261 205 I C 0.697 176.841 176.117 0.045 0.000 1.198 205 I CA 0.831 62.069 61.300 -0.102 0.000 1.482 205 I CB -1.001 36.889 38.000 -0.183 0.000 1.100 205 I HN 0.668 nan 8.210 nan 0.000 0.445 206 T N -0.593 114.060 114.554 0.164 0.000 2.890 206 T HA 0.738 5.088 4.350 -0.000 0.000 0.295 206 T C 0.208 174.931 174.700 0.038 0.000 0.993 206 T CA -0.498 61.666 62.100 0.108 0.000 0.979 206 T CB 1.066 69.955 68.868 0.035 0.000 0.967 206 T HN 0.289 nan 8.240 nan 0.000 0.441 207 G N 3.177 111.986 108.800 0.016 0.000 2.699 207 G HA2 0.461 4.421 3.960 -0.000 0.000 0.246 207 G HA3 0.461 4.421 3.960 -0.000 0.000 0.246 207 G C -1.458 173.362 174.900 -0.133 0.000 1.219 207 G CA -1.411 43.538 45.100 -0.251 0.000 0.866 207 G HN 0.546 nan 8.290 nan 0.000 0.572 208 P HA 0.060 nan 4.420 nan 0.000 0.245 208 P C 0.789 178.093 177.300 0.006 0.000 1.203 208 P CA 0.626 63.715 63.100 -0.019 0.000 0.792 208 P CB 0.428 32.144 31.700 0.027 0.000 0.997 209 D N 0.480 120.899 120.400 0.032 0.000 2.091 209 D HA -0.110 4.530 4.640 -0.000 0.000 0.199 209 D C 1.889 178.198 176.300 0.015 0.000 0.980 209 D CA 0.923 54.935 54.000 0.021 0.000 0.831 209 D CB -1.502 39.320 40.800 0.036 0.000 0.987 209 D HN -0.022 nan 8.370 nan 0.000 0.460 210 V N 1.169 121.095 119.914 0.020 0.000 2.469 210 V HA -0.219 3.901 4.120 -0.000 0.000 0.251 210 V C 2.681 178.779 176.094 0.007 0.000 1.064 210 V CA 1.119 63.428 62.300 0.015 0.000 1.066 210 V CB -0.524 31.311 31.823 0.021 0.000 0.667 210 V HN 0.225 nan 8.190 nan 0.000 0.461 211 I N -0.175 120.394 120.570 -0.001 0.000 2.142 211 I HA -0.256 3.914 4.170 -0.000 0.000 0.240 211 I C 2.628 178.744 176.117 -0.003 0.000 1.078 211 I CA 1.884 63.181 61.300 -0.005 0.000 1.343 211 I CB -0.481 37.510 38.000 -0.016 0.000 1.046 211 I HN 0.298 nan 8.210 nan 0.000 0.405 212 K N 0.862 121.260 120.400 -0.004 0.000 2.057 212 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 212 K C 1.931 178.531 176.600 -0.001 0.000 1.049 212 K CA 1.980 58.264 56.287 -0.004 0.000 0.931 212 K CB -0.102 32.393 32.500 -0.008 0.000 0.714 212 K HN 0.253 nan 8.250 nan 0.000 0.440 213 T N 0.196 114.751 114.554 0.002 0.000 2.897 213 T HA -0.092 4.258 4.350 -0.000 0.000 0.271 213 T C 1.638 176.341 174.700 0.004 0.000 1.084 213 T CA 1.332 63.434 62.100 0.003 0.000 1.123 213 T CB 0.106 68.978 68.868 0.007 0.000 0.865 213 T HN 0.062 nan 8.240 nan 0.000 0.496 214 V N 0.600 120.517 119.914 0.004 0.000 3.090 214 V HA 0.045 4.165 4.120 -0.000 0.000 0.237 214 V C 2.629 178.725 176.094 0.004 0.000 1.209 214 V CA 1.216 63.518 62.300 0.004 0.000 1.209 214 V CB 0.137 31.963 31.823 0.006 0.000 0.971 214 V HN 0.578 nan 8.190 nan 0.000 0.477 215 T N -2.756 111.800 114.554 0.003 0.000 3.037 215 T HA 0.336 4.686 4.350 -0.000 0.000 0.252 215 T C 1.615 176.317 174.700 0.002 0.000 1.073 215 T CA 1.326 63.428 62.100 0.003 0.000 1.091 215 T CB 0.899 69.769 68.868 0.004 0.000 0.935 215 T HN 1.021 nan 8.240 nan 0.000 0.488 216 G N 0.797 109.598 108.800 0.000 0.000 2.213 216 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.236 216 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.236 216 G C -0.136 174.762 174.900 -0.003 0.000 0.991 216 G CA 0.165 45.264 45.100 -0.001 0.000 0.629 216 G HN 0.827 nan 8.290 nan 0.000 0.517 217 E N 1.568 121.766 120.200 -0.003 0.000 2.214 217 E HA 0.561 4.911 4.350 -0.000 0.000 0.274 217 E C -0.449 176.146 176.600 -0.009 0.000 0.977 217 E CA -0.435 55.962 56.400 -0.005 0.000 0.827 217 E CB 1.098 30.797 29.700 -0.002 0.000 1.130 217 E HN 0.372 nan 8.360 nan 0.000 0.394 218 D N 1.637 122.030 120.400 -0.012 0.000 2.490 218 D HA 0.640 5.280 4.640 -0.000 0.000 0.232 218 D C -0.645 175.642 176.300 -0.021 0.000 1.053 218 D CA -0.852 53.136 54.000 -0.019 0.000 0.914 218 D CB 1.301 42.086 40.800 -0.025 0.000 1.431 218 D HN 0.340 nan 8.370 nan 0.000 0.483 219 V N -3.966 115.931 119.914 -0.027 0.000 3.279 219 V HA 0.922 5.042 4.120 -0.000 0.000 0.296 219 V C 0.111 176.180 176.094 -0.041 0.000 1.470 219 V CA -0.785 61.500 62.300 -0.025 0.000 1.065 219 V CB 1.080 32.896 31.823 -0.010 0.000 1.124 219 V HN 0.917 nan 8.190 nan 0.000 0.461 220 G N -1.055 107.723 108.800 -0.037 0.000 2.488 220 G HA2 0.582 4.542 3.960 -0.000 0.000 0.318 220 G HA3 0.582 4.542 3.960 -0.000 0.000 0.318 220 G C 0.008 174.945 174.900 0.062 0.000 1.188 220 G CA -0.699 44.357 45.100 -0.073 0.000 0.944 220 G HN 0.787 nan 8.290 nan 0.000 0.495 221 F N -0.170 119.659 119.950 -0.201 0.000 2.269 221 F HA -0.116 4.411 4.527 -0.000 0.000 0.301 221 F C 2.854 178.568 175.800 -0.144 0.000 1.082 221 F CA 1.046 58.873 58.000 -0.288 0.000 1.360 221 F CB 0.264 39.001 39.000 -0.438 0.000 1.041 221 F HN 0.626 nan 8.300 nan 0.000 0.512 222 E N 1.905 122.188 120.200 0.138 0.000 2.077 222 E HA -0.295 4.055 4.350 -0.000 0.000 0.193 222 E C 1.500 178.193 176.600 0.155 0.000 0.989 222 E CA 1.881 58.441 56.400 0.266 0.000 0.800 222 E CB -0.694 29.106 29.700 0.167 0.000 0.746 222 E HN 0.634 nan 8.360 nan 0.000 0.452 223 E N 0.471 120.719 120.200 0.080 0.000 2.472 223 E HA 0.012 4.362 4.350 -0.000 0.000 0.196 223 E C 2.005 178.619 176.600 0.022 0.000 1.033 223 E CA -0.060 56.364 56.400 0.039 0.000 0.886 223 E CB 0.113 29.829 29.700 0.026 0.000 0.944 223 E HN 0.258 nan 8.360 nan 0.000 0.492 224 L N -0.209 121.031 121.223 0.028 0.000 2.127 224 L HA 0.345 4.685 4.340 -0.000 0.000 0.203 224 L C 1.552 178.413 176.870 -0.015 0.000 1.080 224 L CA 1.867 56.706 54.840 -0.002 0.000 0.768 224 L CB 0.349 42.366 42.059 -0.070 0.000 0.924 224 L HN 0.249 nan 8.230 nan 0.000 0.444 225 G N -1.263 107.522 108.800 -0.025 0.000 5.364 225 G HA2 0.308 4.268 3.960 -0.000 0.000 0.220 225 G HA3 0.308 4.268 3.960 -0.000 0.000 0.220 225 G C 0.422 175.208 174.900 -0.190 0.000 0.838 225 G CA 0.041 44.979 45.100 -0.270 0.000 0.727 225 G HN 0.556 nan 8.290 nan 0.000 0.303 226 G N -0.274 108.533 108.800 0.011 0.000 2.684 226 G HA2 0.485 4.445 3.960 -0.000 0.000 0.255 226 G HA3 0.485 4.445 3.960 -0.000 0.000 0.255 226 G C 1.375 176.116 174.900 -0.265 0.000 1.219 226 G CA 0.435 45.453 45.100 -0.135 0.000 0.901 226 G HN 0.688 nan 8.290 nan 0.000 0.548 227 A N 0.196 122.863 122.820 -0.254 0.000 1.883 227 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 227 A C 2.365 179.894 177.584 -0.090 0.000 1.186 227 A CA 2.051 54.002 52.037 -0.145 0.000 0.624 227 A CB -0.528 18.389 19.000 -0.139 0.000 0.822 227 A HN 0.712 nan 8.150 nan 0.000 0.444 228 R N -0.748 119.704 120.500 -0.080 0.000 2.080 228 R HA -0.164 4.176 4.340 -0.000 0.000 0.236 228 R C 2.468 178.762 176.300 -0.011 0.000 1.137 228 R CA 2.434 58.510 56.100 -0.041 0.000 0.943 228 R CB -0.784 29.500 30.300 -0.026 0.000 0.846 228 R HN 0.565 nan 8.270 nan 0.000 0.431 229 T N -0.897 113.636 114.554 -0.035 0.000 2.720 229 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 229 T C 1.465 176.215 174.700 0.083 0.000 1.037 229 T CA 1.918 64.017 62.100 -0.002 0.000 1.144 229 T CB -0.442 68.397 68.868 -0.048 0.000 0.864 229 T HN 0.612 nan 8.240 nan 0.000 0.444 230 H N -0.154 118.921 119.070 0.009 0.000 2.559 230 H HA 0.209 4.765 4.556 -0.000 0.000 0.273 230 H C 1.983 177.273 175.328 -0.063 0.000 1.000 230 H CA 0.347 56.377 56.048 -0.030 0.000 1.195 230 H CB 0.189 29.924 29.762 -0.045 0.000 1.368 230 H HN 0.395 nan 8.280 nan 0.000 0.592 231 N N -0.430 118.324 118.700 0.090 0.000 2.322 231 N HA -0.032 4.708 4.740 -0.000 0.000 0.181 231 N C 1.302 176.911 175.510 0.164 0.000 1.088 231 N CA 0.727 53.812 53.050 0.057 0.000 0.885 231 N CB 0.748 39.233 38.487 -0.002 0.000 1.013 231 N HN 0.317 nan 8.380 nan 0.000 0.472 232 S N -1.670 114.143 115.700 0.188 0.000 2.575 232 S HA 0.160 4.630 4.470 -0.000 0.000 0.230 232 S C 1.580 176.353 174.600 0.290 0.000 1.062 232 S CA 0.061 58.390 58.200 0.215 0.000 0.913 232 S CB 0.484 63.751 63.200 0.110 0.000 0.837 232 S HN -0.017 nan 8.310 nan 0.000 0.487 233 T N 2.355 117.076 114.554 0.279 0.000 3.111 233 T HA 0.146 4.496 4.350 -0.000 0.000 0.236 233 T C 2.123 177.032 174.700 0.347 0.000 0.984 233 T CA 0.960 63.214 62.100 0.257 0.000 1.195 233 T CB -0.381 68.580 68.868 0.156 0.000 0.929 233 T HN 0.549 nan 8.240 nan 0.000 0.431 234 S N 0.787 116.624 115.700 0.228 0.000 2.470 234 S HA 0.322 4.792 4.470 -0.000 0.000 0.225 234 S C 2.076 176.572 174.600 -0.174 0.000 1.006 234 S CA 0.939 59.199 58.200 0.100 0.000 0.934 234 S CB -0.451 62.816 63.200 0.112 0.000 0.778 234 S HN 0.865 nan 8.310 nan 0.000 0.517 235 G N 0.754 109.213 108.800 -0.568 0.000 2.184 235 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.264 235 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.264 235 G C 0.953 175.385 174.900 -0.781 0.000 0.975 235 G CA 0.802 44.988 45.100 -1.524 0.000 0.642 235 G HN 1.478 nan 8.290 nan 0.000 0.536 236 V N -2.064 117.557 119.914 -0.488 0.000 2.871 236 V HA 0.652 4.772 4.120 -0.000 0.000 0.256 236 V C 1.313 177.156 176.094 -0.418 0.000 1.082 236 V CA 1.759 63.811 62.300 -0.412 0.000 1.105 236 V CB -0.157 31.413 31.823 -0.423 0.000 0.713 236 V HN 1.818 nan 8.190 nan 0.000 0.473 237 A N -0.714 121.888 122.820 -0.363 0.000 2.320 237 A HA 0.727 5.047 4.320 -0.000 0.000 0.334 237 A C 0.223 177.600 177.584 -0.345 0.000 1.147 237 A CA -0.235 51.642 52.037 -0.266 0.000 0.820 237 A CB 0.885 19.857 19.000 -0.048 0.000 1.218 237 A HN 0.570 nan 8.150 nan 0.000 0.482 238 H N -0.570 118.560 119.070 0.099 0.000 2.639 238 H HA 0.225 4.781 4.556 -0.000 0.000 0.267 238 H C 0.291 175.679 175.328 0.101 0.000 0.958 238 H CA 0.882 57.026 56.048 0.160 0.000 1.221 238 H CB 0.384 30.369 29.762 0.372 0.000 1.446 238 H HN 0.684 nan 8.280 nan 0.000 0.512 239 H N 0.223 119.271 119.070 -0.036 0.000 2.954 239 H HA 0.312 4.868 4.556 -0.000 0.000 0.361 239 H C -1.498 173.699 175.328 -0.218 0.000 1.122 239 H CA -1.021 54.844 56.048 -0.305 0.000 1.217 239 H CB 1.972 31.148 29.762 -0.977 0.000 1.776 239 H HN 0.137 nan 8.280 nan 0.000 0.533 240 M N 4.944 124.063 119.600 -0.801 0.000 2.036 240 M HA 0.555 5.035 4.480 -0.000 0.000 0.337 240 M C -1.431 174.429 176.300 -0.733 0.000 1.012 240 M CA -0.259 54.715 55.300 -0.544 0.000 0.962 240 M CB 0.510 32.928 32.600 -0.304 0.000 1.423 240 M HN 0.483 nan 8.290 nan 0.000 0.405 241 A N 3.229 125.791 122.820 -0.429 0.000 2.310 241 A HA 0.664 4.984 4.320 -0.000 0.000 0.299 241 A C 1.012 178.549 177.584 -0.078 0.000 1.147 241 A CA -0.321 51.620 52.037 -0.159 0.000 0.818 241 A CB 0.500 19.542 19.000 0.070 0.000 1.096 241 A HN 1.112 nan 8.150 nan 0.000 0.495 242 G N 0.080 108.865 108.800 -0.026 0.000 2.776 242 G HA2 0.310 4.270 3.960 -0.000 0.000 0.209 242 G HA3 0.310 4.270 3.960 -0.000 0.000 0.209 242 G C 0.091 174.993 174.900 0.005 0.000 1.145 242 G CA 1.117 46.208 45.100 -0.015 0.000 0.791 242 G HN 0.865 nan 8.290 nan 0.000 0.530 243 D N -2.469 117.943 120.400 0.020 0.000 2.720 243 D HA 0.076 4.716 4.640 -0.000 0.000 0.239 243 D C 0.812 177.138 176.300 0.042 0.000 1.218 243 D CA -0.657 53.361 54.000 0.029 0.000 0.748 243 D CB 0.266 41.087 40.800 0.034 0.000 1.387 243 D HN -0.058 nan 8.370 nan 0.000 0.438 244 E N 0.781 121.004 120.200 0.038 0.000 2.110 244 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 244 E C 1.115 177.746 176.600 0.051 0.000 0.988 244 E CA 0.964 57.390 56.400 0.043 0.000 0.804 244 E CB 0.236 29.958 29.700 0.036 0.000 0.745 244 E HN 0.356 nan 8.360 nan 0.000 0.458 245 K N 0.727 121.154 120.400 0.046 0.000 2.097 245 K HA -0.140 4.180 4.320 -0.000 0.000 0.206 245 K C 1.728 178.368 176.600 0.067 0.000 1.049 245 K CA 1.473 57.787 56.287 0.046 0.000 0.933 245 K CB 0.048 32.569 32.500 0.035 0.000 0.717 245 K HN 0.031 nan 8.250 nan 0.000 0.442 246 D N 0.690 121.140 120.400 0.083 0.000 2.084 246 D HA -0.139 4.501 4.640 -0.000 0.000 0.194 246 D C 1.893 178.296 176.300 0.171 0.000 0.990 246 D CA 1.472 55.547 54.000 0.125 0.000 0.826 246 D CB -0.431 40.447 40.800 0.130 0.000 0.971 246 D HN 0.183 nan 8.370 nan 0.000 0.453 247 A N 0.730 123.642 122.820 0.154 0.000 1.873 247 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 247 A C 2.476 180.157 177.584 0.163 0.000 1.193 247 A CA 1.731 53.873 52.037 0.176 0.000 0.629 247 A CB -0.964 18.105 19.000 0.114 0.000 0.826 247 A HN 0.168 nan 8.150 nan 0.000 0.447 248 V N 0.060 120.036 119.914 0.102 0.000 2.720 248 V HA -0.205 3.914 4.120 -0.000 0.000 0.256 248 V C 2.468 178.604 176.094 0.070 0.000 1.082 248 V CA 2.322 64.663 62.300 0.069 0.000 1.101 248 V CB -0.682 31.162 31.823 0.035 0.000 0.693 248 V HN 0.758 nan 8.190 nan 0.000 0.479 249 E N -0.368 119.889 120.200 0.096 0.000 2.170 249 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 249 E C 1.991 178.650 176.600 0.099 0.000 0.981 249 E CA 0.994 57.439 56.400 0.075 0.000 0.830 249 E CB -0.392 29.356 29.700 0.079 0.000 0.775 249 E HN 0.664 nan 8.360 nan 0.000 0.470 250 Y N -0.283 120.045 120.300 0.048 0.000 2.314 250 Y HA -0.101 4.449 4.550 -0.000 0.000 0.293 250 Y C 1.885 177.819 175.900 0.057 0.000 1.129 250 Y CA 1.198 59.339 58.100 0.068 0.000 1.201 250 Y CB 0.113 38.518 38.460 -0.092 0.000 0.999 250 Y HN -0.057 nan 8.280 nan 0.000 0.541 251 V N 0.625 120.656 119.914 0.196 0.000 2.343 251 V HA -0.326 3.794 4.120 -0.000 0.000 0.247 251 V C 2.200 178.254 176.094 -0.067 0.000 1.051 251 V CA 2.191 64.537 62.300 0.077 0.000 1.036 251 V CB -0.484 31.385 31.823 0.078 0.000 0.654 251 V HN 0.351 nan 8.190 nan 0.000 0.451 252 K N -0.690 119.662 120.400 -0.079 0.000 2.026 252 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 252 K C 2.356 178.795 176.600 -0.268 0.000 1.048 252 K CA 1.388 57.592 56.287 -0.139 0.000 0.929 252 K CB -0.256 32.183 32.500 -0.101 0.000 0.713 252 K HN 0.421 nan 8.250 nan 0.000 0.439 253 Q N 0.734 120.310 119.800 -0.373 0.000 2.045 253 Q HA -0.211 4.129 4.340 -0.000 0.000 0.206 253 Q C 2.261 177.827 176.000 -0.722 0.000 0.991 253 Q CA 1.312 56.700 55.803 -0.692 0.000 0.851 253 Q CB -0.556 27.506 28.738 -1.127 0.000 0.911 253 Q HN 0.193 nan 8.270 nan 0.000 0.418 254 L N 0.784 121.646 121.223 -0.603 0.000 1.990 254 L HA -0.211 4.129 4.340 -0.000 0.000 0.213 254 L C 2.431 179.077 176.870 -0.374 0.000 1.072 254 L CA 1.598 56.182 54.840 -0.427 0.000 0.755 254 L CB -1.075 40.803 42.059 -0.302 0.000 0.889 254 L HN 0.209 nan 8.230 nan 0.000 0.432 255 L N -0.912 120.139 121.223 -0.286 0.000 2.081 255 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 255 L C 2.582 179.276 176.870 -0.293 0.000 1.080 255 L CA 1.667 56.361 54.840 -0.244 0.000 0.754 255 L CB -0.913 41.045 42.059 -0.169 0.000 0.893 255 L HN 0.518 nan 8.230 nan 0.000 0.433 256 S N -1.295 114.180 115.700 -0.376 0.000 2.447 256 S HA -0.175 4.295 4.470 -0.000 0.000 0.233 256 S C 1.626 175.924 174.600 -0.504 0.000 1.006 256 S CA 0.747 58.694 58.200 -0.421 0.000 0.957 256 S CB -0.492 62.412 63.200 -0.493 0.000 0.773 256 S HN 0.449 nan 8.310 nan 0.000 0.507 257 Y N 1.187 121.231 120.300 -0.428 0.000 2.466 257 Y HA 0.524 5.074 4.550 -0.000 0.000 0.272 257 Y C 0.627 176.257 175.900 -0.450 0.000 1.169 257 Y CA -0.377 57.441 58.100 -0.471 0.000 1.285 257 Y CB 0.106 38.098 38.460 -0.779 0.000 1.078 257 Y HN 0.209 nan 8.280 nan 0.000 0.523 258 L N 2.034 123.088 121.223 -0.282 0.000 2.342 258 L HA 0.457 4.797 4.340 -0.000 0.000 0.271 258 L C -2.344 174.418 176.870 -0.180 0.000 1.008 258 L CA -2.323 52.369 54.840 -0.247 0.000 0.818 258 L CB 2.125 43.981 42.059 -0.338 0.000 1.296 258 L HN -0.224 nan 8.230 nan 0.000 0.427 259 P HA 0.136 nan 4.420 nan 0.000 0.274 259 P C 0.021 177.271 177.300 -0.083 0.000 1.256 259 P CA -0.368 62.692 63.100 -0.066 0.000 0.795 259 P CB 1.009 32.723 31.700 0.023 0.000 1.038 260 S N -0.142 115.529 115.700 -0.050 0.000 2.428 260 S HA -0.061 4.409 4.470 -0.000 0.000 0.230 260 S C 0.852 175.454 174.600 0.005 0.000 1.014 260 S CA 1.144 59.321 58.200 -0.038 0.000 0.957 260 S CB -0.654 62.528 63.200 -0.031 0.000 0.784 260 S HN 0.763 nan 8.310 nan 0.000 0.499 261 N N -0.312 118.422 118.700 0.056 0.000 3.179 261 N HA 0.167 4.907 4.740 -0.000 0.000 0.250 261 N C -0.598 175.033 175.510 0.203 0.000 1.507 261 N CA -0.667 52.467 53.050 0.140 0.000 0.883 261 N CB 0.050 38.583 38.487 0.077 0.000 1.435 261 N HN -0.087 nan 8.380 nan 0.000 0.532 262 N N -0.302 118.515 118.700 0.194 0.000 2.515 262 N HA 0.022 4.762 4.740 -0.000 0.000 0.191 262 N C 0.076 175.615 175.510 0.048 0.000 1.182 262 N CA 0.434 53.552 53.050 0.113 0.000 0.879 262 N CB -0.253 38.206 38.487 -0.047 0.000 0.984 262 N HN 0.669 nan 8.380 nan 0.000 0.453 263 L N -0.545 120.705 121.223 0.045 0.000 2.607 263 L HA 0.237 4.577 4.340 -0.000 0.000 0.228 263 L C 0.005 176.884 176.870 0.014 0.000 1.123 263 L CA -0.089 54.761 54.840 0.017 0.000 0.890 263 L CB -0.116 41.946 42.059 0.004 0.000 1.103 263 L HN 0.097 nan 8.230 nan 0.000 0.468 264 S N -1.563 114.153 115.700 0.026 0.000 2.634 264 S HA 0.486 4.956 4.470 -0.000 0.000 0.296 264 S C -0.518 174.093 174.600 0.020 0.000 1.104 264 S CA -0.988 57.219 58.200 0.011 0.000 0.920 264 S CB 1.945 65.141 63.200 -0.005 0.000 1.111 264 S HN 0.022 nan 8.310 nan 0.000 0.493 265 E N 1.281 121.483 120.200 0.002 0.000 2.374 265 E HA 0.297 4.647 4.350 -0.000 0.000 0.260 265 E C -2.435 174.155 176.600 -0.016 0.000 1.101 265 E CA -1.770 54.633 56.400 0.004 0.000 0.907 265 E CB -0.081 29.616 29.700 -0.006 0.000 1.014 265 E HN 0.308 nan 8.360 nan 0.000 0.427 266 P HA 0.037 nan 4.420 nan 0.000 0.268 266 P C -2.516 174.720 177.300 -0.106 0.000 1.208 266 P CA -0.992 62.080 63.100 -0.047 0.000 0.777 266 P CB -0.291 31.404 31.700 -0.009 0.000 0.875 267 P HA 0.192 nan 4.420 nan 0.000 0.271 267 P C -0.932 176.135 177.300 -0.388 0.000 1.226 267 P CA 0.061 62.985 63.100 -0.294 0.000 0.765 267 P CB 0.280 31.763 31.700 -0.361 0.000 0.835 268 A N 3.708 126.308 122.820 -0.368 0.000 2.312 268 A HA 0.619 4.939 4.320 -0.000 0.000 0.326 268 A C -0.725 176.565 177.584 -0.489 0.000 1.172 268 A CA -0.605 51.249 52.037 -0.305 0.000 0.821 268 A CB 0.128 19.053 19.000 -0.125 0.000 1.166 268 A HN 0.450 nan 8.150 nan 0.000 0.493 269 F N 2.837 122.774 119.950 -0.022 0.000 2.319 269 F HA 0.299 4.826 4.527 -0.000 0.000 0.356 269 F C -2.100 173.698 175.800 -0.004 0.000 1.100 269 F CA -1.851 56.137 58.000 -0.021 0.000 1.220 269 F CB 0.998 39.977 39.000 -0.035 0.000 1.506 269 F HN 0.342 nan 8.300 nan 0.000 0.512 270 P HA -0.018 nan 4.420 nan 0.000 0.261 270 P C -0.705 176.648 177.300 0.088 0.000 1.183 270 P CA 0.377 63.525 63.100 0.079 0.000 0.761 270 P CB 0.407 32.135 31.700 0.047 0.000 0.785 271 E N 0.915 121.162 120.200 0.078 0.000 2.367 271 E HA 0.453 4.803 4.350 -0.000 0.000 0.273 271 E C -0.969 175.662 176.600 0.052 0.000 0.903 271 E CA -1.140 55.297 56.400 0.062 0.000 0.764 271 E CB 1.749 31.486 29.700 0.062 0.000 1.252 271 E HN 0.248 nan 8.360 nan 0.000 0.446 272 E N 0.621 120.845 120.200 0.041 0.000 2.313 272 E HA 0.389 4.739 4.350 -0.000 0.000 0.276 272 E C -0.751 175.871 176.600 0.037 0.000 1.031 272 E CA -0.431 55.990 56.400 0.035 0.000 0.857 272 E CB 1.164 30.880 29.700 0.027 0.000 1.040 272 E HN 0.558 nan 8.360 nan 0.000 0.408 273 A N 3.392 126.235 122.820 0.038 0.000 2.322 273 A HA 0.082 4.402 4.320 -0.000 0.000 0.269 273 A C -0.197 177.405 177.584 0.030 0.000 1.094 273 A CA -0.508 51.553 52.037 0.040 0.000 0.807 273 A CB 0.653 19.680 19.000 0.046 0.000 1.047 273 A HN 0.644 nan 8.150 nan 0.000 0.487 274 D N 1.850 122.267 120.400 0.029 0.000 2.344 274 D HA 0.169 4.809 4.640 -0.000 0.000 0.253 274 D C 0.583 176.896 176.300 0.022 0.000 1.255 274 D CA 0.135 54.148 54.000 0.022 0.000 0.894 274 D CB 0.163 40.975 40.800 0.019 0.000 1.067 274 D HN 0.409 nan 8.370 nan 0.000 0.492 275 L N 2.369 123.602 121.223 0.016 0.000 2.599 275 L HA 0.168 4.508 4.340 -0.000 0.000 0.230 275 L C 1.236 178.110 176.870 0.007 0.000 1.141 275 L CA -0.085 54.761 54.840 0.011 0.000 0.877 275 L CB -0.197 41.865 42.059 0.005 0.000 1.009 275 L HN 0.342 nan 8.230 nan 0.000 0.447 276 A N -0.274 122.552 122.820 0.009 0.000 2.252 276 A HA 0.512 4.832 4.320 -0.000 0.000 0.305 276 A C -0.079 177.512 177.584 0.011 0.000 1.097 276 A CA -0.438 51.603 52.037 0.007 0.000 0.849 276 A CB 0.655 19.658 19.000 0.006 0.000 1.142 276 A HN -0.105 nan 8.150 nan 0.000 0.499 277 V N 1.629 121.548 119.914 0.009 0.000 2.521 277 V HA 0.359 4.479 4.120 -0.000 0.000 0.286 277 V C 1.038 177.138 176.094 0.009 0.000 1.034 277 V CA 0.450 62.756 62.300 0.011 0.000 1.045 277 V CB 0.327 32.154 31.823 0.006 0.000 0.974 277 V HN 1.062 nan 8.190 nan 0.000 0.480 278 T N 0.066 114.628 114.554 0.013 0.000 2.945 278 T HA 0.313 4.663 4.350 -0.000 0.000 0.286 278 T C 0.679 175.383 174.700 0.008 0.000 1.025 278 T CA -0.734 61.370 62.100 0.008 0.000 1.039 278 T CB 1.567 70.438 68.868 0.005 0.000 1.068 278 T HN 0.516 nan 8.240 nan 0.000 0.497 279 D N 0.855 121.257 120.400 0.003 0.000 2.158 279 D HA -0.082 4.558 4.640 -0.000 0.000 0.197 279 D C 1.778 178.088 176.300 0.016 0.000 0.995 279 D CA 1.410 55.414 54.000 0.006 0.000 0.846 279 D CB -0.101 40.700 40.800 0.002 0.000 0.941 279 D HN 0.726 nan 8.370 nan 0.000 0.456 280 E N 0.670 120.868 120.200 -0.002 0.000 2.028 280 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 280 E C 1.679 178.342 176.600 0.105 0.000 0.988 280 E CA 1.017 57.402 56.400 -0.025 0.000 0.799 280 E CB -0.239 29.367 29.700 -0.157 0.000 0.755 280 E HN 0.207 nan 8.360 nan 0.000 0.447 281 D N 0.512 120.959 120.400 0.077 0.000 2.157 281 D HA -0.264 4.376 4.640 -0.000 0.000 0.191 281 D C 1.811 178.144 176.300 0.055 0.000 1.004 281 D CA 1.887 55.944 54.000 0.094 0.000 0.854 281 D CB -0.544 40.285 40.800 0.048 0.000 0.936 281 D HN 0.252 nan 8.370 nan 0.000 0.446 282 A N 0.799 123.635 122.820 0.026 0.000 1.972 282 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 282 A C 2.010 179.582 177.584 -0.020 0.000 1.169 282 A CA 1.492 53.522 52.037 -0.013 0.000 0.635 282 A CB -0.566 18.428 19.000 -0.010 0.000 0.810 282 A HN 0.271 nan 8.150 nan 0.000 0.446 283 E N -0.095 120.128 120.200 0.039 0.000 2.219 283 E HA -0.184 4.166 4.350 -0.000 0.000 0.198 283 E C 1.615 178.163 176.600 -0.085 0.000 0.998 283 E CA 1.038 57.454 56.400 0.027 0.000 0.818 283 E CB -0.331 29.470 29.700 0.168 0.000 0.741 283 E HN 0.672 nan 8.360 nan 0.000 0.477 284 L N 0.954 122.099 121.223 -0.130 0.000 2.291 284 L HA -0.120 4.220 4.340 -0.000 0.000 0.214 284 L C 1.362 178.007 176.870 -0.375 0.000 1.120 284 L CA 0.496 55.165 54.840 -0.285 0.000 0.799 284 L CB -0.183 41.684 42.059 -0.320 0.000 0.925 284 L HN 0.037 nan 8.230 nan 0.000 0.446 285 D N -0.301 119.933 120.400 -0.276 0.000 2.378 285 D HA -0.081 4.559 4.640 -0.000 0.000 0.227 285 D C 1.648 177.829 176.300 -0.198 0.000 1.012 285 D CA 1.436 55.274 54.000 -0.269 0.000 0.905 285 D CB 0.243 40.931 40.800 -0.187 0.000 0.895 285 D HN 0.457 nan 8.370 nan 0.000 0.532 286 T N -3.287 111.164 114.554 -0.173 0.000 3.186 286 T HA 0.048 4.398 4.350 -0.000 0.000 0.292 286 T C 1.556 176.184 174.700 -0.119 0.000 0.915 286 T CA -0.358 61.671 62.100 -0.118 0.000 0.902 286 T CB -0.242 68.582 68.868 -0.074 0.000 1.192 286 T HN -0.078 nan 8.240 nan 0.000 0.563 287 I N 2.803 123.275 120.570 -0.163 0.000 2.248 287 I HA 0.035 4.205 4.170 -0.000 0.000 0.248 287 I C 0.473 176.455 176.117 -0.225 0.000 1.107 287 I CA 0.975 62.178 61.300 -0.162 0.000 1.373 287 I CB -0.145 37.746 38.000 -0.182 0.000 1.055 287 I HN 0.192 nan 8.210 nan 0.000 0.418 288 V N 4.076 123.833 119.914 -0.262 0.000 2.387 288 V HA 0.206 4.326 4.120 -0.000 0.000 0.260 288 V C -1.813 174.219 176.094 -0.103 0.000 1.054 288 V CA -1.383 60.741 62.300 -0.293 0.000 0.967 288 V CB -0.295 31.398 31.823 -0.218 0.000 1.036 288 V HN 0.217 nan 8.190 nan 0.000 0.481 289 P HA 0.118 nan 4.420 nan 0.000 0.271 289 P C 0.434 177.751 177.300 0.028 0.000 1.238 289 P CA -0.205 62.910 63.100 0.025 0.000 0.794 289 P CB 0.739 32.485 31.700 0.077 0.000 0.959 290 D N -1.420 118.997 120.400 0.028 0.000 2.271 290 D HA -0.031 4.609 4.640 -0.000 0.000 0.206 290 D C 0.419 176.746 176.300 0.045 0.000 0.967 290 D CA 0.931 54.949 54.000 0.030 0.000 0.867 290 D CB 0.083 40.896 40.800 0.021 0.000 0.960 290 D HN 0.198 nan 8.370 nan 0.000 0.509 291 S N 0.235 115.965 115.700 0.050 0.000 2.439 291 S HA 0.369 4.839 4.470 -0.000 0.000 0.282 291 S C 1.224 175.868 174.600 0.073 0.000 1.170 291 S CA -0.435 57.798 58.200 0.055 0.000 1.054 291 S CB 1.220 64.447 63.200 0.046 0.000 0.956 291 S HN 0.173 nan 8.310 nan 0.000 0.490 292 A N 5.304 128.172 122.820 0.080 0.000 1.958 292 A HA -0.187 4.133 4.320 -0.000 0.000 0.221 292 A C 1.954 179.593 177.584 0.091 0.000 1.178 292 A CA 1.832 53.929 52.037 0.099 0.000 0.642 292 A CB -0.594 18.471 19.000 0.108 0.000 0.816 292 A HN 0.912 nan 8.150 nan 0.000 0.453 293 N N -0.199 118.542 118.700 0.070 0.000 2.453 293 N HA -0.080 4.660 4.740 -0.000 0.000 0.183 293 N C 0.272 175.812 175.510 0.051 0.000 1.041 293 N CA 0.358 53.441 53.050 0.053 0.000 0.900 293 N CB -0.023 38.488 38.487 0.041 0.000 0.961 293 N HN 0.641 nan 8.380 nan 0.000 0.443 294 Q N 2.021 121.861 119.800 0.066 0.000 2.307 294 Q HA 0.187 4.527 4.340 -0.000 0.000 0.261 294 Q C -2.254 173.811 176.000 0.108 0.000 1.051 294 Q CA -1.449 54.398 55.803 0.073 0.000 0.911 294 Q CB 1.075 29.859 28.738 0.076 0.000 1.227 294 Q HN 0.183 nan 8.270 nan 0.000 0.418 295 P HA 0.138 nan 4.420 nan 0.000 0.286 295 P C -1.490 175.859 177.300 0.081 0.000 1.261 295 P CA -0.232 62.878 63.100 0.016 0.000 0.821 295 P CB 0.576 32.242 31.700 -0.056 0.000 1.013 296 Y N -1.376 118.928 120.300 0.008 0.000 2.630 296 Y HA 0.659 5.209 4.550 -0.000 0.000 0.337 296 Y C -0.383 175.520 175.900 0.004 0.000 1.051 296 Y CA -1.515 56.590 58.100 0.009 0.000 1.121 296 Y CB 0.564 39.033 38.460 0.015 0.000 1.299 296 Y HN 0.124 nan 8.280 nan 0.000 0.498 297 D N 1.781 122.253 120.400 0.120 0.000 2.347 297 D HA 0.104 4.744 4.640 -0.000 0.000 0.235 297 D C 0.596 176.927 176.300 0.051 0.000 1.149 297 D CA -0.288 53.741 54.000 0.048 0.000 0.850 297 D CB 1.412 42.275 40.800 0.105 0.000 1.061 297 D HN 0.752 nan 8.370 nan 0.000 0.487 298 M N 4.179 123.711 119.600 -0.114 0.000 2.213 298 M HA -0.136 4.344 4.480 -0.000 0.000 0.263 298 M C 1.476 177.646 176.300 -0.217 0.000 1.062 298 M CA 1.561 56.760 55.300 -0.167 0.000 1.105 298 M CB -0.306 32.129 32.600 -0.276 0.000 1.385 298 M HN 0.486 nan 8.290 nan 0.000 0.417 299 H N -1.318 117.675 119.070 -0.129 0.000 2.394 299 H HA -0.155 4.401 4.556 -0.000 0.000 0.297 299 H C 2.326 177.586 175.328 -0.112 0.000 1.113 299 H CA 1.836 57.800 56.048 -0.140 0.000 1.277 299 H CB -0.639 29.123 29.762 0.001 0.000 1.370 299 H HN 0.514 nan 8.280 nan 0.000 0.506 300 S N 0.237 115.982 115.700 0.075 0.000 2.335 300 S HA -0.117 4.353 4.470 -0.000 0.000 0.216 300 S C 2.469 177.042 174.600 -0.046 0.000 1.032 300 S CA 1.450 59.684 58.200 0.056 0.000 1.000 300 S CB -0.600 62.616 63.200 0.026 0.000 0.928 300 S HN 0.151 nan 8.310 nan 0.000 0.434 301 V N 2.339 122.179 119.914 -0.123 0.000 2.363 301 V HA -0.242 3.878 4.120 -0.000 0.000 0.254 301 V C 2.276 178.172 176.094 -0.330 0.000 1.074 301 V CA 2.261 64.456 62.300 -0.175 0.000 1.069 301 V CB -0.803 30.938 31.823 -0.137 0.000 0.659 301 V HN 0.539 nan 8.190 nan 0.000 0.455 302 I N -0.556 119.743 120.570 -0.452 0.000 2.233 302 I HA -0.170 4.000 4.170 -0.000 0.000 0.243 302 I C 2.505 178.508 176.117 -0.190 0.000 1.093 302 I CA 1.386 62.353 61.300 -0.556 0.000 1.380 302 I CB -0.482 37.052 38.000 -0.776 0.000 1.067 302 I HN 0.332 nan 8.210 nan 0.000 0.413 303 E N 0.137 120.311 120.200 -0.043 0.000 2.160 303 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 303 E C 1.908 178.594 176.600 0.143 0.000 0.991 303 E CA 1.165 57.628 56.400 0.105 0.000 0.810 303 E CB -0.187 29.610 29.700 0.161 0.000 0.742 303 E HN 0.561 nan 8.360 nan 0.000 0.466 304 H N -0.868 118.201 119.070 -0.002 0.000 2.545 304 H HA -0.018 4.538 4.556 -0.000 0.000 0.282 304 H C 1.655 177.018 175.328 0.058 0.000 1.020 304 H CA 0.582 56.649 56.048 0.031 0.000 1.243 304 H CB 0.302 30.084 29.762 0.033 0.000 1.377 304 H HN -0.022 nan 8.280 nan 0.000 0.581 305 V N -0.299 119.711 119.914 0.160 0.000 3.263 305 V HA 0.085 4.205 4.120 -0.000 0.000 0.248 305 V C 0.810 177.001 176.094 0.162 0.000 1.145 305 V CA 0.309 62.715 62.300 0.177 0.000 1.107 305 V CB 0.292 32.251 31.823 0.227 0.000 0.797 305 V HN 0.124 nan 8.190 nan 0.000 0.467 306 L N 0.777 122.087 121.223 0.144 0.000 2.334 306 L HA 0.390 4.730 4.340 -0.000 0.000 0.277 306 L C -0.312 176.646 176.870 0.146 0.000 1.075 306 L CA -0.788 54.154 54.840 0.170 0.000 0.804 306 L CB 0.816 42.997 42.059 0.204 0.000 1.174 306 L HN 0.144 nan 8.230 nan 0.000 0.438 307 D N 2.341 122.832 120.400 0.153 0.000 2.581 307 D HA -0.028 4.612 4.640 -0.000 0.000 0.238 307 D C 0.121 176.491 176.300 0.117 0.000 1.145 307 D CA 0.901 54.976 54.000 0.125 0.000 0.866 307 D CB 0.262 41.143 40.800 0.134 0.000 1.151 307 D HN 0.492 nan 8.370 nan 0.000 0.500 308 D N 1.578 122.025 120.400 0.079 0.000 2.981 308 D HA -0.213 4.427 4.640 -0.000 0.000 0.223 308 D C 0.577 176.923 176.300 0.077 0.000 1.151 308 D CA 0.985 55.025 54.000 0.065 0.000 0.827 308 D CB -1.388 39.452 40.800 0.067 0.000 1.101 308 D HN 0.664 nan 8.370 nan 0.000 0.426 309 A N -0.761 122.103 122.820 0.074 0.000 2.744 309 A HA -0.338 3.982 4.320 -0.000 0.000 0.300 309 A C 0.517 178.191 177.584 0.150 0.000 1.512 309 A CA 1.826 53.916 52.037 0.088 0.000 0.851 309 A CB -1.063 17.961 19.000 0.039 0.000 0.987 309 A HN 0.465 nan 8.150 nan 0.000 0.507 310 E N -0.857 119.455 120.200 0.186 0.000 2.109 310 E HA 0.542 4.892 4.350 -0.000 0.000 0.278 310 E C -1.236 175.574 176.600 0.350 0.000 0.954 310 E CA -0.616 55.928 56.400 0.239 0.000 0.779 310 E CB 0.526 30.352 29.700 0.211 0.000 1.093 310 E HN 0.469 nan 8.360 nan 0.000 0.401 311 F N 6.315 126.368 119.950 0.171 0.000 2.500 311 F HA 0.331 4.858 4.527 -0.000 0.000 0.349 311 F C -1.719 174.193 175.800 0.186 0.000 1.127 311 F CA -1.375 56.721 58.000 0.160 0.000 0.998 311 F CB 0.503 39.582 39.000 0.131 0.000 1.237 311 F HN 0.318 nan 8.300 nan 0.000 0.439 312 F N 6.417 126.173 119.950 -0.322 0.000 2.375 312 F HA 0.345 4.872 4.527 -0.000 0.000 0.362 312 F C 0.034 175.416 175.800 -0.696 0.000 1.129 312 F CA -0.239 57.530 58.000 -0.384 0.000 1.154 312 F CB 0.327 39.200 39.000 -0.211 0.000 1.205 312 F HN 0.587 nan 8.300 nan 0.000 0.513 313 E N 4.281 123.857 120.200 -1.040 0.000 2.216 313 E HA 0.325 4.675 4.350 -0.000 0.000 0.279 313 E C -0.698 175.619 176.600 -0.472 0.000 0.997 313 E CA -0.671 55.199 56.400 -0.883 0.000 0.817 313 E CB 1.085 30.408 29.700 -0.627 0.000 1.096 313 E HN 0.643 nan 8.360 nan 0.000 0.393 314 T N 1.473 115.844 114.554 -0.305 0.000 2.902 314 T HA 0.201 4.551 4.350 -0.000 0.000 0.283 314 T C 0.061 174.783 174.700 0.036 0.000 1.009 314 T CA -0.718 61.364 62.100 -0.031 0.000 1.051 314 T CB 1.243 70.156 68.868 0.074 0.000 0.999 314 T HN 0.675 nan 8.240 nan 0.000 0.474 315 Q N 0.693 120.585 119.800 0.152 0.000 2.423 315 Q HA -0.127 4.213 4.340 -0.000 0.000 0.332 315 Q C -1.594 174.485 176.000 0.131 0.000 1.355 315 Q CA 0.359 56.256 55.803 0.158 0.000 0.947 315 Q CB -1.098 27.768 28.738 0.212 0.000 1.189 315 Q HN 0.691 nan 8.270 nan 0.000 0.418 316 P HA -0.144 nan 4.420 nan 0.000 0.223 316 P C 1.017 178.380 177.300 0.105 0.000 1.151 316 P CA 0.986 64.144 63.100 0.097 0.000 0.787 316 P CB 0.165 31.913 31.700 0.079 0.000 0.788 317 L N -2.415 118.869 121.223 0.103 0.000 2.270 317 L HA 0.122 4.462 4.340 -0.000 0.000 0.210 317 L C 1.437 178.396 176.870 0.149 0.000 1.104 317 L CA 0.144 55.046 54.840 0.103 0.000 0.804 317 L CB -0.395 41.708 42.059 0.074 0.000 0.937 317 L HN -0.095 nan 8.230 nan 0.000 0.450 318 F N 0.968 120.934 119.950 0.026 0.000 2.410 318 F HA 0.468 4.995 4.527 -0.000 0.000 0.348 318 F C 1.016 176.834 175.800 0.029 0.000 1.106 318 F CA -0.740 57.274 58.000 0.023 0.000 1.163 318 F CB 0.752 39.758 39.000 0.010 0.000 1.129 318 F HN 0.032 nan 8.300 nan 0.000 0.516 319 A N 5.526 127.990 122.820 -0.594 0.000 2.312 319 A HA -0.197 4.123 4.320 -0.000 0.000 0.286 319 A C -2.078 175.451 177.584 -0.092 0.000 1.425 319 A CA 0.353 52.154 52.037 -0.393 0.000 0.748 319 A CB -1.824 16.928 19.000 -0.413 0.000 1.126 319 A HN 0.669 nan 8.150 nan 0.000 0.368 320 P HA -0.138 nan 4.420 nan 0.000 0.231 320 P C 1.251 178.605 177.300 0.091 0.000 1.158 320 P CA 1.255 64.404 63.100 0.081 0.000 0.763 320 P CB -0.108 31.669 31.700 0.129 0.000 0.805 321 N N -0.618 118.130 118.700 0.081 0.000 2.494 321 N HA -0.046 4.694 4.740 -0.000 0.000 0.182 321 N C 0.517 176.038 175.510 0.019 0.000 1.076 321 N CA 0.436 53.541 53.050 0.092 0.000 0.908 321 N CB 0.062 38.605 38.487 0.094 0.000 0.967 321 N HN 0.245 nan 8.380 nan 0.000 0.449 322 I N 0.148 120.721 120.570 0.005 0.000 2.730 322 I HA 0.381 4.551 4.170 -0.000 0.000 0.298 322 I C -1.459 174.654 176.117 -0.006 0.000 1.089 322 I CA -1.089 60.208 61.300 -0.004 0.000 1.041 322 I CB 2.107 40.116 38.000 0.015 0.000 1.235 322 I HN -0.178 nan 8.210 nan 0.000 0.423 323 L N 5.632 126.838 121.223 -0.029 0.000 2.329 323 L HA 0.675 5.015 4.340 -0.000 0.000 0.279 323 L C -0.460 176.398 176.870 -0.019 0.000 1.014 323 L CA -0.470 54.361 54.840 -0.015 0.000 0.814 323 L CB 1.894 43.892 42.059 -0.102 0.000 1.257 323 L HN 0.601 nan 8.230 nan 0.000 0.424 324 T N -0.761 113.739 114.554 -0.088 0.000 2.909 324 T HA 0.950 5.300 4.350 -0.000 0.000 0.299 324 T C -0.238 174.125 174.700 -0.562 0.000 1.073 324 T CA -0.375 61.443 62.100 -0.469 0.000 0.999 324 T CB 2.413 70.772 68.868 -0.849 0.000 1.098 324 T HN 1.022 nan 8.240 nan 0.000 0.477 325 G N 0.731 109.034 108.800 -0.830 0.000 2.343 325 G HA2 0.450 4.410 3.960 -0.000 0.000 0.289 325 G HA3 0.450 4.410 3.960 -0.000 0.000 0.289 325 G C -1.971 172.765 174.900 -0.273 0.000 1.295 325 G CA -0.997 43.733 45.100 -0.616 0.000 0.869 325 G HN 0.670 nan 8.290 nan 0.000 0.522 326 F N -0.164 119.795 119.950 0.015 0.000 2.572 326 F HA 0.925 5.452 4.527 -0.000 0.000 0.342 326 F C 1.057 176.728 175.800 -0.215 0.000 1.064 326 F CA 0.361 58.264 58.000 -0.161 0.000 1.008 326 F CB 2.115 40.668 39.000 -0.745 0.000 1.303 326 F HN 1.021 nan 8.300 nan 0.000 0.492 327 G N -0.075 108.773 108.800 0.080 0.000 2.490 327 G HA2 0.644 4.604 3.960 -0.000 0.000 0.308 327 G HA3 0.644 4.604 3.960 -0.000 0.000 0.308 327 G C -1.933 173.214 174.900 0.412 0.000 1.286 327 G CA -1.134 44.136 45.100 0.283 0.000 0.825 327 G HN 0.500 nan 8.290 nan 0.000 0.479 328 R N -1.322 119.397 120.500 0.365 0.000 2.744 328 R HA 0.698 5.038 4.340 -0.000 0.000 0.279 328 R C -1.563 174.870 176.300 0.221 0.000 0.977 328 R CA -0.785 55.492 56.100 0.295 0.000 0.906 328 R CB 2.853 33.318 30.300 0.276 0.000 1.197 328 R HN 0.340 nan 8.270 nan 0.000 0.463 329 V N 2.099 122.125 119.914 0.187 0.000 2.483 329 V HA 0.182 4.302 4.120 -0.000 0.000 0.297 329 V C 0.258 176.427 176.094 0.125 0.000 1.027 329 V CA -0.497 61.895 62.300 0.154 0.000 0.855 329 V CB 1.346 33.260 31.823 0.152 0.000 0.995 329 V HN 0.915 nan 8.190 nan 0.000 0.424 330 E N 3.547 123.813 120.200 0.109 0.000 2.539 330 E HA -0.304 4.046 4.350 -0.000 0.000 0.253 330 E C 1.259 177.917 176.600 0.097 0.000 1.145 330 E CA 0.753 57.207 56.400 0.091 0.000 0.738 330 E CB -1.019 28.725 29.700 0.074 0.000 1.308 330 E HN 1.528 nan 8.360 nan 0.000 0.409 331 G N -0.167 108.706 108.800 0.121 0.000 2.179 331 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.260 331 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.260 331 G C 0.156 175.122 174.900 0.110 0.000 0.977 331 G CA 0.518 45.701 45.100 0.140 0.000 0.641 331 G HN 0.183 nan 8.290 nan 0.000 0.533 332 R N 1.128 121.692 120.500 0.107 0.000 2.295 332 R HA 0.563 4.903 4.340 -0.000 0.000 0.324 332 R C -2.459 173.931 176.300 0.151 0.000 0.968 332 R CA -2.061 54.093 56.100 0.089 0.000 0.837 332 R CB 1.028 31.373 30.300 0.075 0.000 1.133 332 R HN 0.077 nan 8.270 nan 0.000 0.450 333 P HA -0.091 nan 4.420 nan 0.000 0.263 333 P C -0.771 176.682 177.300 0.257 0.000 1.175 333 P CA 0.087 63.355 63.100 0.280 0.000 0.761 333 P CB 0.545 32.381 31.700 0.227 0.000 0.794 334 V N 0.523 120.627 119.914 0.315 0.000 3.130 334 V HA 0.972 5.092 4.120 -0.000 0.000 0.310 334 V C -0.119 176.203 176.094 0.379 0.000 1.158 334 V CA -0.915 61.560 62.300 0.291 0.000 1.029 334 V CB 2.007 33.976 31.823 0.244 0.000 1.057 334 V HN 0.604 nan 8.190 nan 0.000 0.436 335 G N 0.830 109.826 108.800 0.326 0.000 2.473 335 G HA2 0.766 4.726 3.960 -0.000 0.000 0.321 335 G HA3 0.766 4.726 3.960 -0.000 0.000 0.321 335 G C -1.575 173.544 174.900 0.365 0.000 1.200 335 G CA -0.811 44.495 45.100 0.344 0.000 0.963 335 G HN 0.705 nan 8.290 nan 0.000 0.483 336 I N 0.192 121.017 120.570 0.426 0.000 2.465 336 I HA 0.450 4.620 4.170 -0.000 0.000 0.291 336 I C -0.358 175.920 176.117 0.267 0.000 1.014 336 I CA -0.775 60.727 61.300 0.338 0.000 1.093 336 I CB 2.358 40.535 38.000 0.294 0.000 1.267 336 I HN 0.171 nan 8.210 nan 0.000 0.431 337 V N 4.865 124.928 119.914 0.249 0.000 2.588 337 V HA 0.939 5.059 4.120 -0.000 0.000 0.304 337 V C -0.481 175.708 176.094 0.159 0.000 1.042 337 V CA -0.534 61.877 62.300 0.185 0.000 0.877 337 V CB 1.615 33.590 31.823 0.253 0.000 0.996 337 V HN 0.867 nan 8.190 nan 0.000 0.425 338 A N 4.082 126.955 122.820 0.089 0.000 2.491 338 A HA 0.589 4.909 4.320 -0.000 0.000 0.293 338 A C -0.721 176.854 177.584 -0.015 0.000 1.047 338 A CA -0.804 51.272 52.037 0.064 0.000 0.735 338 A CB 1.067 20.106 19.000 0.065 0.000 1.281 338 A HN 0.690 nan 8.150 nan 0.000 0.398 339 N N 1.823 120.509 118.700 -0.023 0.000 2.454 339 N HA 0.167 4.907 4.740 -0.000 0.000 0.260 339 N C -0.266 175.178 175.510 -0.111 0.000 1.218 339 N CA 0.457 53.473 53.050 -0.056 0.000 0.904 339 N CB 1.125 39.575 38.487 -0.062 0.000 1.065 339 N HN 0.709 nan 8.380 nan 0.000 0.462 340 Q N 3.983 123.718 119.800 -0.108 0.000 2.509 340 Q HA 0.349 4.689 4.340 -0.000 0.000 0.236 340 Q C -2.192 173.720 176.000 -0.146 0.000 1.073 340 Q CA -1.740 53.971 55.803 -0.153 0.000 0.867 340 Q CB 1.364 30.032 28.738 -0.116 0.000 1.181 340 Q HN 0.236 nan 8.270 nan 0.000 0.526 341 P HA -0.254 nan 4.420 nan 0.000 0.216 341 P C 1.097 178.305 177.300 -0.152 0.000 1.154 341 P CA 1.649 64.611 63.100 -0.229 0.000 0.865 341 P CB 0.059 31.486 31.700 -0.454 0.000 0.789 342 M N -1.753 117.753 119.600 -0.157 0.000 2.192 342 M HA -0.175 4.305 4.480 -0.000 0.000 0.259 342 M C 0.548 176.782 176.300 -0.110 0.000 1.071 342 M CA 1.637 56.875 55.300 -0.103 0.000 1.082 342 M CB -1.025 31.540 32.600 -0.057 0.000 1.373 342 M HN 0.099 nan 8.290 nan 0.000 0.408 343 Q N -0.069 119.685 119.800 -0.077 0.000 2.348 343 Q HA 0.266 4.606 4.340 -0.000 0.000 0.265 343 Q C -0.576 175.454 176.000 0.050 0.000 0.998 343 Q CA -0.438 55.311 55.803 -0.089 0.000 0.831 343 Q CB 0.908 29.689 28.738 0.072 0.000 1.251 343 Q HN 0.352 nan 8.270 nan 0.000 0.456 344 F N 0.975 120.906 119.950 -0.033 0.000 3.004 344 F HA -0.345 4.182 4.527 -0.000 0.000 0.264 344 F C 1.075 176.857 175.800 -0.031 0.000 0.979 344 F CA 0.709 58.693 58.000 -0.028 0.000 0.896 344 F CB -2.275 36.708 39.000 -0.029 0.000 0.813 344 F HN 0.802 nan 8.300 nan 0.000 0.804 345 A N -1.350 121.500 122.820 0.050 0.000 2.829 345 A HA 0.107 4.427 4.320 -0.000 0.000 0.267 345 A C 2.172 179.764 177.584 0.012 0.000 1.370 345 A CA 1.550 53.602 52.037 0.024 0.000 0.900 345 A CB -1.835 17.194 19.000 0.049 0.000 1.044 345 A HN 2.656 nan 8.150 nan 0.000 0.691 346 G N -2.100 106.709 108.800 0.016 0.000 2.225 346 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.267 346 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.267 346 G C 1.094 175.991 174.900 -0.004 0.000 1.024 346 G CA 1.089 46.181 45.100 -0.013 0.000 0.784 346 G HN 2.598 nan 8.290 nan 0.000 0.507 347 C N -0.425 118.893 119.300 0.031 0.000 2.601 347 C HA 0.763 5.223 4.460 -0.000 0.000 0.409 347 C C 1.313 176.287 174.990 -0.026 0.000 1.293 347 C CA -1.813 57.203 59.018 -0.003 0.000 2.101 347 C CB 0.219 27.979 27.740 0.033 0.000 2.639 347 C HN 0.481 nan 8.230 nan 0.000 0.592 348 L N 4.450 125.625 121.223 -0.080 0.000 2.456 348 L HA 0.357 4.697 4.340 -0.000 0.000 0.272 348 L C 0.760 177.682 176.870 0.086 0.000 1.189 348 L CA 0.845 55.670 54.840 -0.024 0.000 0.846 348 L CB 0.279 42.269 42.059 -0.114 0.000 1.111 348 L HN 0.964 nan 8.230 nan 0.000 0.475 349 D N 1.918 122.369 120.400 0.085 0.000 2.812 349 D HA 0.113 4.753 4.640 -0.000 0.000 0.318 349 D C 0.693 177.033 176.300 0.067 0.000 1.234 349 D CA -0.492 53.549 54.000 0.069 0.000 0.989 349 D CB 1.113 41.878 40.800 -0.059 0.000 1.442 349 D HN 0.387 nan 8.370 nan 0.000 0.537 350 I N -0.973 119.613 120.570 0.027 0.000 2.233 350 I HA -0.085 4.085 4.170 -0.000 0.000 0.243 350 I C 2.307 178.451 176.117 0.045 0.000 1.093 350 I CA 2.458 63.781 61.300 0.039 0.000 1.380 350 I CB -1.058 36.958 38.000 0.027 0.000 1.067 350 I HN 0.551 nan 8.210 nan 0.000 0.413 351 T N -0.427 114.118 114.554 -0.015 0.000 2.788 351 T HA -0.025 4.324 4.350 -0.000 0.000 0.268 351 T C 2.048 176.760 174.700 0.021 0.000 1.044 351 T CA 1.164 63.251 62.100 -0.021 0.000 1.139 351 T CB -1.039 67.592 68.868 -0.394 0.000 0.867 351 T HN 0.503 nan 8.240 nan 0.000 0.454 352 A N 1.774 124.572 122.820 -0.036 0.000 1.877 352 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 352 A C 2.750 180.389 177.584 0.092 0.000 1.186 352 A CA 2.066 54.114 52.037 0.019 0.000 0.620 352 A CB -1.237 17.762 19.000 -0.002 0.000 0.822 352 A HN 0.539 nan 8.150 nan 0.000 0.443 353 S N -0.120 115.640 115.700 0.101 0.000 2.359 353 S HA -0.203 4.267 4.470 -0.000 0.000 0.224 353 S C 1.870 176.540 174.600 0.117 0.000 1.035 353 S CA 1.715 59.987 58.200 0.120 0.000 1.018 353 S CB -0.376 62.900 63.200 0.126 0.000 0.876 353 S HN 0.716 nan 8.310 nan 0.000 0.448 354 E N 0.919 121.197 120.200 0.130 0.000 2.072 354 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 354 E C 2.152 178.846 176.600 0.157 0.000 0.985 354 E CA 0.798 57.274 56.400 0.127 0.000 0.801 354 E CB -0.147 29.634 29.700 0.134 0.000 0.750 354 E HN 0.463 nan 8.360 nan 0.000 0.452 355 K N 1.289 121.831 120.400 0.236 0.000 1.991 355 K HA -0.196 4.124 4.320 -0.000 0.000 0.212 355 K C 2.178 178.896 176.600 0.197 0.000 1.049 355 K CA 1.582 58.020 56.287 0.252 0.000 0.932 355 K CB -0.161 32.537 32.500 0.330 0.000 0.717 355 K HN 0.077 nan 8.250 nan 0.000 0.441 356 A N 0.930 123.845 122.820 0.159 0.000 1.872 356 A HA 0.009 4.329 4.320 -0.000 0.000 0.214 356 A C 2.398 180.055 177.584 0.121 0.000 1.187 356 A CA 1.680 53.807 52.037 0.149 0.000 0.614 356 A CB -1.027 18.044 19.000 0.118 0.000 0.826 356 A HN 0.527 nan 8.150 nan 0.000 0.442 357 A N -0.112 122.756 122.820 0.079 0.000 1.896 357 A HA -0.296 4.024 4.320 -0.000 0.000 0.220 357 A C 2.278 179.881 177.584 0.032 0.000 1.206 357 A CA 2.282 54.337 52.037 0.030 0.000 0.647 357 A CB -0.560 18.466 19.000 0.044 0.000 0.828 357 A HN 0.547 nan 8.150 nan 0.000 0.455 358 R N -2.268 118.278 120.500 0.076 0.000 2.148 358 R HA -0.047 4.293 4.340 -0.000 0.000 0.223 358 R C 1.916 178.270 176.300 0.091 0.000 1.088 358 R CA 1.289 57.426 56.100 0.061 0.000 0.985 358 R CB -0.317 30.022 30.300 0.065 0.000 0.880 358 R HN 0.562 nan 8.270 nan 0.000 0.451 359 F N 0.340 120.297 119.950 0.012 0.000 2.146 359 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 359 F C 1.788 177.590 175.800 0.003 0.000 1.096 359 F CA 1.188 59.205 58.000 0.027 0.000 1.275 359 F CB -0.300 38.723 39.000 0.039 0.000 1.008 359 F HN -0.233 nan 8.300 nan 0.000 0.480 360 V N 1.277 121.174 119.914 -0.027 0.000 2.282 360 V HA -0.344 3.776 4.120 -0.000 0.000 0.249 360 V C 2.483 178.473 176.094 -0.173 0.000 1.057 360 V CA 2.420 64.605 62.300 -0.192 0.000 1.032 360 V CB -0.763 30.859 31.823 -0.336 0.000 0.645 360 V HN 0.308 nan 8.190 nan 0.000 0.447 361 R N -0.575 119.860 120.500 -0.109 0.000 2.115 361 R HA -0.094 4.246 4.340 -0.000 0.000 0.230 361 R C 2.381 178.625 176.300 -0.094 0.000 1.111 361 R CA 1.643 57.695 56.100 -0.081 0.000 0.976 361 R CB -0.610 29.663 30.300 -0.044 0.000 0.870 361 R HN 0.516 nan 8.270 nan 0.000 0.445 362 T N 0.553 115.053 114.554 -0.090 0.000 2.674 362 T HA -0.171 4.179 4.350 -0.000 0.000 0.265 362 T C 2.101 176.845 174.700 0.073 0.000 1.039 362 T CA 1.374 63.474 62.100 -0.000 0.000 1.150 362 T CB -0.327 68.526 68.868 -0.024 0.000 0.864 362 T HN 0.342 nan 8.240 nan 0.000 0.427 363 C N 1.355 120.598 119.300 -0.095 0.000 2.413 363 C HA -0.106 4.354 4.460 -0.000 0.000 0.276 363 C C 2.654 177.653 174.990 0.015 0.000 1.236 363 C CA 0.699 59.712 59.018 -0.009 0.000 1.735 363 C CB -1.107 26.532 27.740 -0.169 0.000 2.031 363 C HN 0.644 nan 8.230 nan 0.000 0.474 364 D N 0.798 121.165 120.400 -0.054 0.000 2.104 364 D HA -0.123 4.516 4.640 -0.000 0.000 0.194 364 D C 2.174 178.416 176.300 -0.098 0.000 0.994 364 D CA 1.891 55.858 54.000 -0.055 0.000 0.830 364 D CB -0.240 40.523 40.800 -0.062 0.000 0.959 364 D HN 0.397 nan 8.370 nan 0.000 0.452 365 A N -0.849 121.853 122.820 -0.198 0.000 1.972 365 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 365 A C 1.511 178.770 177.584 -0.542 0.000 1.169 365 A CA 1.033 52.813 52.037 -0.429 0.000 0.635 365 A CB -0.693 17.912 19.000 -0.659 0.000 0.810 365 A HN 0.343 nan 8.150 nan 0.000 0.446 366 F N -0.518 119.435 119.950 0.005 0.000 2.647 366 F HA 0.263 4.790 4.527 -0.000 0.000 0.300 366 F C 0.587 176.394 175.800 0.013 0.000 1.106 366 F CA -0.345 57.662 58.000 0.012 0.000 1.313 366 F CB -0.010 39.005 39.000 0.025 0.000 1.007 366 F HN 0.230 nan 8.300 nan 0.000 0.536 367 N N -0.384 118.378 118.700 0.104 0.000 2.901 367 N HA -0.162 4.578 4.740 -0.000 0.000 0.248 367 N C -0.266 175.300 175.510 0.094 0.000 1.044 367 N CA 0.841 53.936 53.050 0.076 0.000 0.847 367 N CB -1.565 36.962 38.487 0.067 0.000 1.127 367 N HN 0.278 nan 8.380 nan 0.000 0.562 368 V N -0.312 119.677 119.914 0.126 0.000 2.383 368 V HA 0.559 4.679 4.120 -0.000 0.000 0.275 368 V C -2.074 174.091 176.094 0.120 0.000 1.036 368 V CA -1.506 60.881 62.300 0.145 0.000 0.889 368 V CB 1.244 33.202 31.823 0.225 0.000 0.985 368 V HN -0.160 nan 8.190 nan 0.000 0.459 369 P HA 0.125 nan 4.420 nan 0.000 0.266 369 P C -0.715 176.657 177.300 0.120 0.000 1.193 369 P CA 0.251 63.412 63.100 0.101 0.000 0.770 369 P CB 0.593 32.354 31.700 0.101 0.000 0.836 370 V N 4.320 124.298 119.914 0.106 0.000 2.513 370 V HA 0.395 4.515 4.120 -0.000 0.000 0.299 370 V C 0.146 176.302 176.094 0.103 0.000 1.035 370 V CA -0.509 61.872 62.300 0.134 0.000 0.889 370 V CB 1.353 33.267 31.823 0.151 0.000 0.988 370 V HN 0.309 nan 8.190 nan 0.000 0.440 371 L N 3.861 125.143 121.223 0.098 0.000 2.362 371 L HA 0.683 5.023 4.340 -0.000 0.000 0.275 371 L C -0.260 176.524 176.870 -0.143 0.000 0.998 371 L CA -0.307 54.494 54.840 -0.066 0.000 0.820 371 L CB 2.278 44.331 42.059 -0.010 0.000 1.270 371 L HN 0.582 nan 8.230 nan 0.000 0.415 372 T N 1.998 116.331 114.554 -0.369 0.000 2.824 372 T HA 0.630 4.980 4.350 -0.000 0.000 0.282 372 T C -0.777 173.554 174.700 -0.614 0.000 0.993 372 T CA -0.369 61.560 62.100 -0.286 0.000 0.967 372 T CB 1.140 69.918 68.868 -0.150 0.000 0.960 372 T HN 0.113 nan 8.240 nan 0.000 0.441 373 F N 2.305 122.198 119.950 -0.095 0.000 2.460 373 F HA 0.537 5.064 4.527 -0.000 0.000 0.341 373 F C 0.141 175.841 175.800 -0.167 0.000 1.130 373 F CA -1.171 56.728 58.000 -0.168 0.000 0.962 373 F CB 1.679 40.575 39.000 -0.174 0.000 1.171 373 F HN 0.368 nan 8.300 nan 0.000 0.436 374 V N 0.315 120.183 119.914 -0.077 0.000 2.378 374 V HA 0.669 4.789 4.120 -0.000 0.000 0.288 374 V C -1.365 174.667 176.094 -0.103 0.000 1.016 374 V CA -0.288 61.955 62.300 -0.095 0.000 0.840 374 V CB 1.523 33.270 31.823 -0.126 0.000 0.994 374 V HN 0.708 nan 8.190 nan 0.000 0.431 375 D N 3.902 124.259 120.400 -0.073 0.000 2.473 375 D HA 0.521 5.161 4.640 -0.000 0.000 0.253 375 D C -1.457 174.803 176.300 -0.067 0.000 1.233 375 D CA -0.120 53.845 54.000 -0.058 0.000 0.908 375 D CB 1.943 42.741 40.800 -0.003 0.000 1.170 375 D HN 0.697 nan 8.370 nan 0.000 0.558 376 V N 7.018 126.887 119.914 -0.075 0.000 2.559 376 V HA 0.354 4.474 4.120 -0.000 0.000 0.289 376 V C -1.972 174.119 176.094 -0.005 0.000 1.036 376 V CA -1.591 60.671 62.300 -0.062 0.000 0.887 376 V CB 2.416 34.181 31.823 -0.097 0.000 1.022 376 V HN 0.329 nan 8.190 nan 0.000 0.442 377 P HA 0.227 nan 4.420 nan 0.000 0.219 377 P C 0.719 178.117 177.300 0.164 0.000 1.150 377 P CA 1.908 65.138 63.100 0.216 0.000 0.814 377 P CB 0.452 32.230 31.700 0.130 0.000 0.787 378 G N -1.125 107.655 108.800 -0.034 0.000 2.260 378 G HA2 0.097 4.057 3.960 -0.000 0.000 0.250 378 G HA3 0.097 4.057 3.960 -0.000 0.000 0.250 378 G C -1.639 173.070 174.900 -0.318 0.000 1.340 378 G CA -0.920 44.061 45.100 -0.198 0.000 1.056 378 G HN 0.003 nan 8.290 nan 0.000 0.471 379 F N 0.590 120.581 119.950 0.068 0.000 2.408 379 F HA 0.581 5.108 4.527 -0.000 0.000 0.344 379 F C 0.857 176.675 175.800 0.030 0.000 1.112 379 F CA -0.647 57.379 58.000 0.043 0.000 1.096 379 F CB 1.680 40.703 39.000 0.039 0.000 1.129 379 F HN 0.414 nan 8.300 nan 0.000 0.486 380 L N 6.518 127.846 121.223 0.175 0.000 2.810 380 L HA 0.063 4.403 4.340 -0.000 0.000 0.279 380 L C -2.301 174.625 176.870 0.095 0.000 1.144 380 L CA -1.026 53.872 54.840 0.096 0.000 0.998 380 L CB -0.750 41.327 42.059 0.030 0.000 1.342 380 L HN 0.291 nan 8.230 nan 0.000 0.473 381 P HA 0.411 nan 4.420 nan 0.000 0.267 381 P C -0.329 176.991 177.300 0.032 0.000 1.205 381 P CA -0.007 63.127 63.100 0.058 0.000 0.765 381 P CB 0.850 32.580 31.700 0.050 0.000 0.828 382 G N 1.029 109.841 108.800 0.020 0.000 2.503 382 G HA2 0.157 4.117 3.960 -0.000 0.000 0.305 382 G HA3 0.157 4.117 3.960 -0.000 0.000 0.305 382 G C -0.007 174.884 174.900 -0.014 0.000 1.575 382 G CA -0.493 44.605 45.100 -0.003 0.000 0.890 382 G HN 0.381 nan 8.290 nan 0.000 0.612 383 V N 1.445 121.329 119.914 -0.051 0.000 2.667 383 V HA -0.017 4.103 4.120 -0.000 0.000 0.252 383 V C 2.359 178.380 176.094 -0.122 0.000 1.065 383 V CA 2.764 64.998 62.300 -0.111 0.000 1.083 383 V CB -0.242 31.452 31.823 -0.215 0.000 0.692 383 V HN 0.847 nan 8.190 nan 0.000 0.468 384 D N -1.629 118.725 120.400 -0.076 0.000 2.178 384 D HA -0.235 4.405 4.640 -0.000 0.000 0.202 384 D C 1.872 178.180 176.300 0.014 0.000 0.974 384 D CA 0.998 54.979 54.000 -0.032 0.000 0.841 384 D CB -0.362 40.420 40.800 -0.030 0.000 0.953 384 D HN 0.440 nan 8.370 nan 0.000 0.478 385 Q N 0.410 120.214 119.800 0.006 0.000 2.020 385 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 385 Q C 2.138 178.158 176.000 0.033 0.000 0.982 385 Q CA 1.562 57.373 55.803 0.014 0.000 0.838 385 Q CB -0.304 28.441 28.738 0.010 0.000 0.899 385 Q HN 0.358 nan 8.270 nan 0.000 0.423 386 E N 0.348 120.582 120.200 0.056 0.000 2.047 386 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 386 E C 1.577 178.257 176.600 0.133 0.000 0.987 386 E CA 1.215 57.664 56.400 0.082 0.000 0.799 386 E CB -0.225 29.542 29.700 0.112 0.000 0.752 386 E HN 0.467 nan 8.360 nan 0.000 0.449 387 H N -0.639 118.421 119.070 -0.016 0.000 2.568 387 H HA -0.047 4.509 4.556 -0.000 0.000 0.281 387 H C 0.370 175.690 175.328 -0.013 0.000 1.028 387 H CA 0.800 56.840 56.048 -0.013 0.000 1.199 387 H CB 0.358 30.114 29.762 -0.009 0.000 1.352 387 H HN 0.177 nan 8.280 nan 0.000 0.605 388 D N -0.337 120.116 120.400 0.088 0.000 2.788 388 D HA 0.076 4.716 4.640 -0.000 0.000 0.289 388 D C 0.357 176.665 176.300 0.012 0.000 1.340 388 D CA -0.121 53.901 54.000 0.036 0.000 0.831 388 D CB 0.087 40.908 40.800 0.034 0.000 1.103 388 D HN 0.414 nan 8.370 nan 0.000 0.476 389 G N 2.538 111.338 108.800 0.001 0.000 2.372 389 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.290 389 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.290 389 G C 1.062 175.947 174.900 -0.024 0.000 0.965 389 G CA 0.438 45.526 45.100 -0.021 0.000 1.263 389 G HN 0.490 nan 8.290 nan 0.000 0.498 390 I N 0.391 120.944 120.570 -0.028 0.000 2.300 390 I HA -0.261 3.909 4.170 -0.000 0.000 0.252 390 I C 2.534 178.602 176.117 -0.082 0.000 1.119 390 I CA 1.941 63.212 61.300 -0.048 0.000 1.384 390 I CB -0.171 37.787 38.000 -0.071 0.000 1.062 390 I HN 0.596 nan 8.210 nan 0.000 0.426 391 I N 0.881 121.398 120.570 -0.088 0.000 2.145 391 I HA -0.356 3.814 4.170 -0.000 0.000 0.244 391 I C 2.424 178.510 176.117 -0.052 0.000 1.075 391 I CA 2.229 63.477 61.300 -0.088 0.000 1.332 391 I CB -0.664 37.296 38.000 -0.067 0.000 1.033 391 I HN 0.386 nan 8.210 nan 0.000 0.410 392 R N 0.103 120.582 120.500 -0.035 0.000 2.334 392 R HA 0.103 4.443 4.340 -0.000 0.000 0.216 392 R C 1.932 178.223 176.300 -0.016 0.000 0.905 392 R CA 0.121 56.207 56.100 -0.023 0.000 1.064 392 R CB 0.119 30.402 30.300 -0.027 0.000 1.046 392 R HN 0.119 nan 8.270 nan 0.000 0.508 393 R N 0.516 121.010 120.500 -0.010 0.000 2.102 393 R HA 0.244 4.584 4.340 -0.000 0.000 0.208 393 R C 2.060 178.382 176.300 0.037 0.000 1.131 393 R CA 1.536 57.642 56.100 0.010 0.000 1.054 393 R CB -0.704 29.604 30.300 0.014 0.000 0.954 393 R HN 0.284 nan 8.270 nan 0.000 0.465 394 G N -0.222 108.600 108.800 0.037 0.000 2.534 394 G HA2 -0.105 3.854 3.960 -0.000 0.000 0.217 394 G HA3 -0.105 3.854 3.960 -0.000 0.000 0.217 394 G C 1.338 176.301 174.900 0.105 0.000 1.128 394 G CA 0.629 45.788 45.100 0.098 0.000 0.784 394 G HN 0.416 nan 8.290 nan 0.000 0.542 395 A N 1.028 123.885 122.820 0.061 0.000 2.067 395 A HA 0.047 4.367 4.320 -0.000 0.000 0.219 395 A C 2.260 179.919 177.584 0.125 0.000 1.158 395 A CA 1.609 53.699 52.037 0.088 0.000 0.661 395 A CB -0.234 18.802 19.000 0.060 0.000 0.801 395 A HN 0.401 nan 8.150 nan 0.000 0.452 396 K N -0.505 119.943 120.400 0.080 0.000 2.032 396 K HA -0.152 4.168 4.320 -0.000 0.000 0.209 396 K C 1.914 178.588 176.600 0.123 0.000 1.048 396 K CA 1.378 57.702 56.287 0.062 0.000 0.927 396 K CB -0.491 32.015 32.500 0.010 0.000 0.712 396 K HN 0.427 nan 8.250 nan 0.000 0.441 397 L N 2.079 123.377 121.223 0.125 0.000 2.012 397 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 397 L C 1.910 178.899 176.870 0.199 0.000 1.073 397 L CA 1.592 56.512 54.840 0.133 0.000 0.748 397 L CB -0.676 41.484 42.059 0.169 0.000 0.891 397 L HN 0.175 nan 8.230 nan 0.000 0.431 398 I N -1.168 119.534 120.570 0.219 0.000 2.163 398 I HA -0.337 3.833 4.170 -0.000 0.000 0.243 398 I C 2.455 178.694 176.117 0.203 0.000 1.085 398 I CA 1.707 63.134 61.300 0.212 0.000 1.347 398 I CB -0.512 37.582 38.000 0.157 0.000 1.044 398 I HN 0.273 nan 8.210 nan 0.000 0.408 399 F N 1.763 121.748 119.950 0.058 0.000 2.095 399 F HA -0.278 4.249 4.527 -0.000 0.000 0.298 399 F C 2.504 178.316 175.800 0.019 0.000 1.104 399 F CA 1.581 59.601 58.000 0.033 0.000 1.232 399 F CB -0.384 38.626 39.000 0.017 0.000 0.987 399 F HN 0.016 nan 8.300 nan 0.000 0.475 400 A N -0.621 122.368 122.820 0.281 0.000 1.858 400 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 400 A C 2.066 179.649 177.584 -0.001 0.000 1.190 400 A CA 1.812 53.914 52.037 0.107 0.000 0.617 400 A CB -1.574 17.403 19.000 -0.038 0.000 0.827 400 A HN 0.484 nan 8.150 nan 0.000 0.443 401 Y N -0.071 120.254 120.300 0.041 0.000 2.128 401 Y HA -0.154 4.396 4.550 -0.000 0.000 0.284 401 Y C 2.956 178.825 175.900 -0.053 0.000 1.154 401 Y CA 0.993 59.086 58.100 -0.011 0.000 1.149 401 Y CB -0.741 37.705 38.460 -0.024 0.000 0.976 401 Y HN 0.330 nan 8.280 nan 0.000 0.505 402 A N -0.246 122.618 122.820 0.073 0.000 1.969 402 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 402 A C 2.184 179.698 177.584 -0.116 0.000 1.169 402 A CA 1.624 53.628 52.037 -0.054 0.000 0.635 402 A CB -0.665 18.256 19.000 -0.132 0.000 0.810 402 A HN 0.562 nan 8.150 nan 0.000 0.445 403 E N 0.283 120.392 120.200 -0.152 0.000 2.208 403 E HA 0.116 4.466 4.350 -0.000 0.000 0.193 403 E C 0.980 177.552 176.600 -0.047 0.000 0.988 403 E CA 0.451 56.768 56.400 -0.138 0.000 0.828 403 E CB -0.223 29.429 29.700 -0.080 0.000 0.763 403 E HN 0.529 nan 8.360 nan 0.000 0.478 404 A N 0.579 123.390 122.820 -0.015 0.000 2.483 404 A HA 0.139 4.459 4.320 -0.000 0.000 0.238 404 A C 0.937 178.519 177.584 -0.003 0.000 1.070 404 A CA 0.594 52.630 52.037 -0.002 0.000 0.770 404 A CB 0.415 19.430 19.000 0.026 0.000 1.008 404 A HN 0.388 nan 8.150 nan 0.000 0.497 405 T N -1.302 113.248 114.554 -0.005 0.000 2.986 405 T HA 0.285 4.635 4.350 -0.000 0.000 0.264 405 T C 0.599 175.301 174.700 0.004 0.000 0.964 405 T CA 0.549 62.646 62.100 -0.005 0.000 0.895 405 T CB -1.344 67.516 68.868 -0.014 0.000 1.163 405 T HN 1.373 nan 8.240 nan 0.000 0.517 406 V N 0.033 119.953 119.914 0.010 0.000 3.432 406 V HA 0.431 4.551 4.120 -0.000 0.000 0.304 406 V C -2.730 173.382 176.094 0.030 0.000 1.107 406 V CA -1.974 60.340 62.300 0.023 0.000 1.153 406 V CB -0.498 31.345 31.823 0.032 0.000 1.072 406 V HN -0.008 nan 8.190 nan 0.000 0.485 407 P HA 0.362 nan 4.420 nan 0.000 0.268 407 P C -0.841 176.482 177.300 0.039 0.000 1.204 407 P CA 0.374 63.493 63.100 0.033 0.000 0.768 407 P CB 0.217 31.940 31.700 0.039 0.000 0.842 408 L N 4.660 125.896 121.223 0.021 0.000 2.406 408 L HA 0.556 4.896 4.340 -0.000 0.000 0.272 408 L C -0.243 176.605 176.870 -0.036 0.000 0.980 408 L CA -0.377 54.470 54.840 0.013 0.000 0.831 408 L CB 1.547 43.620 42.059 0.022 0.000 1.253 408 L HN 0.222 nan 8.230 nan 0.000 0.406 409 I N 2.473 123.006 120.570 -0.061 0.000 2.478 409 I HA 0.416 4.586 4.170 -0.000 0.000 0.287 409 I C -0.252 175.746 176.117 -0.198 0.000 1.042 409 I CA -0.367 60.872 61.300 -0.101 0.000 1.067 409 I CB 2.515 40.478 38.000 -0.061 0.000 1.233 409 I HN 0.575 nan 8.210 nan 0.000 0.431 410 T N 3.379 117.793 114.554 -0.233 0.000 2.863 410 T HA 0.771 5.121 4.350 -0.000 0.000 0.285 410 T C -0.818 173.687 174.700 -0.326 0.000 1.009 410 T CA -0.666 61.238 62.100 -0.327 0.000 0.989 410 T CB 2.061 70.732 68.868 -0.327 0.000 1.004 410 T HN 0.190 nan 8.240 nan 0.000 0.455 411 V N 4.065 123.716 119.914 -0.438 0.000 2.487 411 V HA 0.470 4.590 4.120 -0.000 0.000 0.298 411 V C -0.168 175.702 176.094 -0.373 0.000 1.028 411 V CA -0.943 61.133 62.300 -0.372 0.000 0.860 411 V CB 1.563 33.177 31.823 -0.348 0.000 0.991 411 V HN 0.898 nan 8.190 nan 0.000 0.427 412 I N 4.532 124.889 120.570 -0.355 0.000 2.306 412 I HA 0.213 4.383 4.170 -0.000 0.000 0.288 412 I C 1.561 177.376 176.117 -0.504 0.000 1.036 412 I CA -0.157 60.947 61.300 -0.326 0.000 1.221 412 I CB 1.617 39.498 38.000 -0.198 0.000 1.385 412 I HN 0.831 nan 8.210 nan 0.000 0.472 413 T N 2.494 116.699 114.554 -0.582 0.000 2.942 413 T HA 0.049 4.399 4.350 -0.000 0.000 0.265 413 T C 1.439 176.029 174.700 -0.183 0.000 1.062 413 T CA 0.764 62.410 62.100 -0.758 0.000 1.139 413 T CB 0.463 68.874 68.868 -0.761 0.000 0.883 413 T HN 0.638 nan 8.240 nan 0.000 0.468 414 R N -0.018 120.412 120.500 -0.118 0.000 4.561 414 R HA 0.336 4.676 4.340 -0.000 0.000 0.099 414 R C -0.786 175.427 176.300 -0.145 0.000 0.984 414 R CA -0.509 55.562 56.100 -0.048 0.000 0.730 414 R CB 0.489 30.837 30.300 0.078 0.000 0.928 414 R HN -0.003 nan 8.270 nan 0.000 0.373 415 K N 1.037 121.347 120.400 -0.149 0.000 2.258 415 K HA 0.452 4.772 4.320 -0.000 0.000 0.284 415 K C -1.269 175.108 176.600 -0.373 0.000 1.051 415 K CA 0.020 56.097 56.287 -0.350 0.000 0.923 415 K CB 1.772 34.158 32.500 -0.190 0.000 1.046 415 K HN 0.384 nan 8.250 nan 0.000 0.474 416 A N 5.000 127.470 122.820 -0.584 0.000 2.702 416 A HA 0.436 4.756 4.320 -0.000 0.000 0.305 416 A C -1.184 176.169 177.584 -0.385 0.000 1.213 416 A CA -0.633 51.217 52.037 -0.311 0.000 0.745 416 A CB -0.010 18.928 19.000 -0.103 0.000 1.161 416 A HN 0.655 nan 8.150 nan 0.000 0.445 417 F N 1.835 121.801 119.950 0.027 0.000 2.444 417 F HA 0.562 5.089 4.527 -0.000 0.000 0.342 417 F C 1.336 177.179 175.800 0.072 0.000 1.121 417 F CA 0.519 58.539 58.000 0.032 0.000 0.997 417 F CB 1.924 40.938 39.000 0.022 0.000 1.130 417 F HN 0.987 nan 8.300 nan 0.000 0.454 418 G N 2.416 111.408 108.800 0.319 0.000 2.582 418 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.288 418 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.288 418 G C 1.261 176.328 174.900 0.279 0.000 1.247 418 G CA 0.035 45.292 45.100 0.262 0.000 0.972 418 G HN 1.130 nan 8.290 nan 0.000 0.557 419 G N -0.099 108.886 108.800 0.309 0.000 2.507 419 G HA2 0.130 4.090 3.960 -0.000 0.000 0.221 419 G HA3 0.130 4.090 3.960 -0.000 0.000 0.221 419 G C 2.167 177.251 174.900 0.307 0.000 1.119 419 G CA 3.228 48.542 45.100 0.357 0.000 0.751 419 G HN 1.939 nan 8.290 nan 0.000 0.574 420 A N 0.246 123.151 122.820 0.143 0.000 1.877 420 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 420 A C 2.140 179.738 177.584 0.023 0.000 1.186 420 A CA 1.820 53.795 52.037 -0.102 0.000 0.620 420 A CB -0.796 18.023 19.000 -0.301 0.000 0.822 420 A HN 0.555 nan 8.150 nan 0.000 0.443 421 Y N 1.695 121.982 120.300 -0.023 0.000 2.030 421 Y HA -0.341 4.209 4.550 -0.000 0.000 0.272 421 Y C 2.230 178.118 175.900 -0.020 0.000 1.185 421 Y CA 2.352 60.432 58.100 -0.034 0.000 1.120 421 Y CB -0.643 37.820 38.460 0.005 0.000 0.955 421 Y HN 0.344 nan 8.280 nan 0.000 0.495 422 N N 0.164 118.725 118.700 -0.231 0.000 2.104 422 N HA -0.188 4.552 4.740 -0.000 0.000 0.190 422 N C 2.004 177.403 175.510 -0.185 0.000 1.024 422 N CA 1.956 54.826 53.050 -0.300 0.000 0.853 422 N CB -0.605 37.844 38.487 -0.064 0.000 1.008 422 N HN 0.373 nan 8.380 nan 0.000 0.424 423 V N 1.671 121.569 119.914 -0.028 0.000 2.282 423 V HA -0.189 3.931 4.120 -0.000 0.000 0.249 423 V C 1.397 177.484 176.094 -0.010 0.000 1.057 423 V CA 1.197 63.533 62.300 0.059 0.000 1.032 423 V CB -0.323 31.589 31.823 0.149 0.000 0.645 423 V HN 0.322 nan 8.190 nan 0.000 0.447 424 M N 0.806 120.328 119.600 -0.130 0.000 3.436 424 M HA 0.298 4.778 4.480 -0.000 0.000 0.240 424 M C 1.279 177.246 176.300 -0.556 0.000 1.469 424 M CA 0.600 55.776 55.300 -0.207 0.000 1.622 424 M CB -0.995 31.525 32.600 -0.133 0.000 1.098 424 M HN 0.510 nan 8.290 nan 0.000 0.568 425 G N 1.961 110.083 108.800 -1.131 0.000 2.283 425 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.280 425 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.280 425 G C 0.433 174.925 174.900 -0.680 0.000 1.029 425 G CA 0.618 44.894 45.100 -1.373 0.000 0.840 425 G HN 0.756 nan 8.290 nan 0.000 0.505 426 S N -1.213 114.134 115.700 -0.587 0.000 2.584 426 S HA 0.334 4.804 4.470 -0.000 0.000 0.270 426 S C 1.549 175.865 174.600 -0.473 0.000 1.346 426 S CA 0.553 58.405 58.200 -0.580 0.000 1.018 426 S CB 1.523 64.219 63.200 -0.841 0.000 0.899 426 S HN 0.597 nan 8.310 nan 0.000 0.542 427 K N 0.518 120.611 120.400 -0.510 0.000 2.074 427 K HA -0.217 4.103 4.320 -0.000 0.000 0.209 427 K C 1.815 178.175 176.600 -0.399 0.000 1.048 427 K CA 1.868 57.896 56.287 -0.432 0.000 0.926 427 K CB -0.402 31.848 32.500 -0.416 0.000 0.713 427 K HN 0.779 nan 8.250 nan 0.000 0.444 428 H N 0.067 118.999 119.070 -0.229 0.000 2.387 428 H HA -0.120 4.436 4.556 -0.000 0.000 0.299 428 H C 1.695 176.928 175.328 -0.158 0.000 1.099 428 H CA 1.065 56.990 56.048 -0.204 0.000 1.315 428 H CB -0.157 29.460 29.762 -0.242 0.000 1.380 428 H HN 0.149 nan 8.280 nan 0.000 0.513 429 L N 0.141 121.310 121.223 -0.090 0.000 2.675 429 L HA 0.070 4.410 4.340 -0.000 0.000 0.238 429 L C 1.639 178.460 176.870 -0.081 0.000 1.155 429 L CA 1.207 55.998 54.840 -0.082 0.000 0.881 429 L CB -0.683 41.322 42.059 -0.091 0.000 1.008 429 L HN 0.590 nan 8.230 nan 0.000 0.443 430 G N -2.062 106.676 108.800 -0.103 0.000 2.179 430 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.220 430 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.220 430 G C 0.602 175.450 174.900 -0.086 0.000 0.990 430 G CA -0.035 45.018 45.100 -0.078 0.000 0.646 430 G HN 0.654 nan 8.290 nan 0.000 0.517 431 A N 0.312 123.051 122.820 -0.136 0.000 2.531 431 A HA 0.473 4.793 4.320 -0.000 0.000 0.236 431 A C 1.248 178.772 177.584 -0.100 0.000 1.062 431 A CA 1.079 53.037 52.037 -0.132 0.000 0.760 431 A CB 0.263 19.135 19.000 -0.212 0.000 0.995 431 A HN 0.273 nan 8.150 nan 0.000 0.501 432 D N 0.634 120.994 120.400 -0.067 0.000 2.183 432 D HA 0.095 4.735 4.640 -0.000 0.000 0.205 432 D C 0.001 176.278 176.300 -0.038 0.000 0.962 432 D CA 1.230 55.206 54.000 -0.041 0.000 0.849 432 D CB 0.136 40.925 40.800 -0.018 0.000 0.978 432 D HN 0.444 nan 8.370 nan 0.000 0.488 433 L N 1.247 122.440 121.223 -0.050 0.000 2.482 433 L HA 0.316 4.656 4.340 -0.000 0.000 0.269 433 L C -1.270 175.551 176.870 -0.080 0.000 0.967 433 L CA -0.666 54.150 54.840 -0.040 0.000 0.851 433 L CB 1.996 44.054 42.059 -0.002 0.000 1.242 433 L HN -0.285 nan 8.230 nan 0.000 0.404 434 N N 4.341 122.991 118.700 -0.083 0.000 2.342 434 N HA 0.809 5.549 4.740 -0.000 0.000 0.293 434 N C -1.383 174.072 175.510 -0.092 0.000 1.026 434 N CA -0.442 52.542 53.050 -0.110 0.000 0.857 434 N CB 2.143 40.563 38.487 -0.113 0.000 1.256 434 N HN 0.354 nan 8.380 nan 0.000 0.484 435 L N 0.976 122.126 121.223 -0.121 0.000 2.401 435 L HA 0.920 5.260 4.340 -0.000 0.000 0.266 435 L C -0.744 176.056 176.870 -0.118 0.000 0.991 435 L CA -1.092 53.676 54.840 -0.120 0.000 0.818 435 L CB 2.087 44.059 42.059 -0.145 0.000 1.321 435 L HN 0.546 nan 8.230 nan 0.000 0.413 436 A N 1.134 123.909 122.820 -0.074 0.000 2.393 436 A HA 0.760 5.080 4.320 -0.000 0.000 0.306 436 A C -1.567 176.079 177.584 0.103 0.000 1.050 436 A CA -0.473 51.521 52.037 -0.071 0.000 0.724 436 A CB 1.003 19.929 19.000 -0.124 0.000 1.248 436 A HN 0.540 nan 8.150 nan 0.000 0.424 437 W N 1.593 122.819 121.300 -0.124 0.000 2.129 437 W HA 0.426 5.086 4.660 -0.000 0.000 0.349 437 W C -2.009 174.417 176.519 -0.155 0.000 1.279 437 W CA -1.749 55.528 57.345 -0.113 0.000 1.306 437 W CB -0.263 29.143 29.460 -0.090 0.000 1.140 437 W HN 0.479 nan 8.180 nan 0.000 0.613 438 P HA -0.065 nan 4.420 nan 0.000 0.237 438 P C 1.115 178.416 177.300 0.002 0.000 1.178 438 P CA 1.492 64.585 63.100 -0.012 0.000 0.766 438 P CB -0.002 31.727 31.700 0.047 0.000 0.876 439 T N -4.022 110.576 114.554 0.074 0.000 3.107 439 T HA 0.398 4.748 4.350 -0.000 0.000 0.249 439 T C 0.892 175.598 174.700 0.010 0.000 1.096 439 T CA -0.335 61.800 62.100 0.057 0.000 1.012 439 T CB -0.397 68.531 68.868 0.102 0.000 0.977 439 T HN -0.014 nan 8.240 nan 0.000 0.527 440 A N 1.761 124.557 122.820 -0.040 0.000 2.388 440 A HA 0.524 4.844 4.320 -0.000 0.000 0.257 440 A C 0.040 177.524 177.584 -0.166 0.000 1.095 440 A CA -0.674 51.289 52.037 -0.123 0.000 0.791 440 A CB 0.319 19.225 19.000 -0.157 0.000 1.029 440 A HN 0.560 nan 8.150 nan 0.000 0.489 441 Q N 1.818 121.479 119.800 -0.232 0.000 2.394 441 Q HA 0.471 4.811 4.340 -0.000 0.000 0.261 441 Q C -1.433 174.304 176.000 -0.438 0.000 1.023 441 Q CA 0.016 55.660 55.803 -0.266 0.000 0.720 441 Q CB 1.542 30.155 28.738 -0.209 0.000 1.241 441 Q HN 0.677 nan 8.270 nan 0.000 0.483 442 I N 1.884 122.272 120.570 -0.303 0.000 2.371 442 I HA 0.729 4.899 4.170 -0.000 0.000 0.282 442 I C -0.286 175.714 176.117 -0.195 0.000 1.031 442 I CA -0.547 60.549 61.300 -0.340 0.000 1.180 442 I CB 1.064 38.846 38.000 -0.363 0.000 1.336 442 I HN 0.564 nan 8.210 nan 0.000 0.467 443 A N 4.661 127.451 122.820 -0.050 0.000 2.593 443 A HA 0.630 4.950 4.320 -0.000 0.000 0.290 443 A C 0.477 178.216 177.584 0.258 0.000 1.126 443 A CA -0.521 51.607 52.037 0.153 0.000 0.695 443 A CB 1.290 20.466 19.000 0.293 0.000 1.290 443 A HN 0.302 nan 8.150 nan 0.000 0.414 444 V N 0.216 120.251 119.914 0.200 0.000 2.427 444 V HA 0.005 4.125 4.120 -0.000 0.000 0.248 444 V C 0.936 177.141 176.094 0.185 0.000 1.051 444 V CA 2.410 64.816 62.300 0.177 0.000 1.048 444 V CB -1.261 30.637 31.823 0.126 0.000 0.666 444 V HN 0.841 nan 8.190 nan 0.000 0.456 445 M N -1.994 117.689 119.600 0.138 0.000 2.773 445 M HA 0.689 5.169 4.480 -0.000 0.000 0.270 445 M C -0.020 176.069 176.300 -0.352 0.000 1.238 445 M CA -0.515 54.736 55.300 -0.083 0.000 0.832 445 M CB 1.424 33.994 32.600 -0.049 0.000 1.672 445 M HN -0.020 nan 8.290 nan 0.000 0.480 446 G N 0.011 108.373 108.800 -0.730 0.000 2.664 446 G HA2 0.439 4.399 3.960 -0.000 0.000 0.242 446 G HA3 0.439 4.399 3.960 -0.000 0.000 0.242 446 G C 0.771 175.585 174.900 -0.143 0.000 1.225 446 G CA -0.054 44.625 45.100 -0.702 0.000 0.849 446 G HN 1.012 nan 8.290 nan 0.000 0.581 447 A N -0.358 122.478 122.820 0.027 0.000 1.883 447 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 447 A C 2.271 179.872 177.584 0.028 0.000 1.186 447 A CA 2.066 54.233 52.037 0.217 0.000 0.624 447 A CB -0.628 18.526 19.000 0.256 0.000 0.822 447 A HN 0.658 nan 8.150 nan 0.000 0.444 448 Q N -0.811 118.984 119.800 -0.009 0.000 2.020 448 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 448 Q C 2.223 178.191 176.000 -0.053 0.000 0.982 448 Q CA 1.825 57.613 55.803 -0.025 0.000 0.838 448 Q CB -0.621 28.105 28.738 -0.018 0.000 0.899 448 Q HN 0.611 nan 8.270 nan 0.000 0.423 449 G N 0.092 108.852 108.800 -0.067 0.000 2.470 449 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.220 449 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.220 449 G C 1.399 176.244 174.900 -0.091 0.000 1.121 449 G CA 1.011 46.069 45.100 -0.069 0.000 0.766 449 G HN 0.468 nan 8.290 nan 0.000 0.553 450 A N 0.514 123.255 122.820 -0.131 0.000 1.872 450 A HA 0.121 4.441 4.320 -0.000 0.000 0.214 450 A C 2.652 180.070 177.584 -0.276 0.000 1.187 450 A CA 2.032 53.935 52.037 -0.223 0.000 0.614 450 A CB -0.781 18.018 19.000 -0.334 0.000 0.826 450 A HN 0.878 nan 8.150 nan 0.000 0.442 451 V N -0.945 118.819 119.914 -0.249 0.000 2.667 451 V HA -0.139 3.981 4.120 -0.000 0.000 0.252 451 V C 1.667 177.750 176.094 -0.019 0.000 1.065 451 V CA 2.211 64.447 62.300 -0.107 0.000 1.083 451 V CB -1.063 30.767 31.823 0.011 0.000 0.692 451 V HN 0.437 nan 8.190 nan 0.000 0.468 452 N N 0.907 119.582 118.700 -0.042 0.000 2.149 452 N HA -0.105 4.635 4.740 -0.000 0.000 0.188 452 N C 1.552 177.047 175.510 -0.025 0.000 1.019 452 N CA 2.097 55.133 53.050 -0.022 0.000 0.857 452 N CB -0.374 38.098 38.487 -0.026 0.000 0.997 452 N HN 0.511 nan 8.380 nan 0.000 0.426 453 I N 0.264 120.801 120.570 -0.054 0.000 2.277 453 I HA -0.034 4.136 4.170 -0.000 0.000 0.243 453 I C 0.780 176.849 176.117 -0.079 0.000 1.094 453 I CA 0.300 61.564 61.300 -0.060 0.000 1.393 453 I CB -0.397 37.561 38.000 -0.070 0.000 1.078 453 I HN 0.019 nan 8.210 nan 0.000 0.417 454 L N 1.020 122.157 121.223 -0.143 0.000 2.399 454 L HA 0.194 4.534 4.340 -0.000 0.000 0.266 454 L C 0.878 177.666 176.870 -0.136 0.000 1.114 454 L CA -0.158 54.520 54.840 -0.270 0.000 0.804 454 L CB -0.052 41.686 42.059 -0.534 0.000 1.146 454 L HN 0.590 nan 8.230 nan 0.000 0.451 455 H N 1.808 120.845 119.070 -0.056 0.000 2.379 455 H HA -0.292 4.264 4.556 -0.000 0.000 0.326 455 H C 1.144 176.449 175.328 -0.038 0.000 1.005 455 H CA 0.776 56.800 56.048 -0.040 0.000 1.114 455 H CB -1.314 28.428 29.762 -0.033 0.000 1.505 455 H HN 0.701 nan 8.280 nan 0.000 0.391 456 R N 1.757 122.314 120.500 0.096 0.000 2.241 456 R HA -0.154 4.186 4.340 -0.000 0.000 0.224 456 R C 2.188 178.509 176.300 0.034 0.000 1.101 456 R CA 1.353 57.483 56.100 0.049 0.000 0.995 456 R CB -0.251 30.060 30.300 0.017 0.000 0.870 456 R HN 0.588 nan 8.270 nan 0.000 0.463 457 R N 0.862 121.388 120.500 0.043 0.000 2.070 457 R HA -0.097 4.243 4.340 -0.000 0.000 0.233 457 R C 1.553 177.864 176.300 0.019 0.000 1.137 457 R CA 2.224 58.341 56.100 0.028 0.000 0.945 457 R CB -0.808 29.511 30.300 0.031 0.000 0.845 457 R HN 0.167 nan 8.270 nan 0.000 0.430 458 T N 1.995 116.563 114.554 0.024 0.000 2.684 458 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 458 T C 1.722 176.402 174.700 -0.033 0.000 1.036 458 T CA 1.410 63.500 62.100 -0.017 0.000 1.148 458 T CB -0.262 68.565 68.868 -0.067 0.000 0.863 458 T HN 0.260 nan 8.240 nan 0.000 0.436 459 I N 1.304 121.855 120.570 -0.031 0.000 2.179 459 I HA -0.149 4.021 4.170 -0.000 0.000 0.242 459 I C 2.570 178.677 176.117 -0.017 0.000 1.088 459 I CA 1.668 62.950 61.300 -0.030 0.000 1.357 459 I CB -1.191 36.795 38.000 -0.023 0.000 1.051 459 I HN 0.208 nan 8.210 nan 0.000 0.409 460 A N 0.856 123.672 122.820 -0.008 0.000 1.858 460 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 460 A C 0.982 178.562 177.584 -0.006 0.000 1.190 460 A CA 1.507 53.541 52.037 -0.005 0.000 0.617 460 A CB -0.998 18.001 19.000 -0.001 0.000 0.827 460 A HN 0.669 nan 8.150 nan 0.000 0.443 461 D N -2.254 118.143 120.400 -0.006 0.000 2.384 461 D HA 0.391 5.031 4.640 -0.000 0.000 0.244 461 D C 0.619 176.913 176.300 -0.010 0.000 1.251 461 D CA 0.189 54.185 54.000 -0.006 0.000 0.961 461 D CB 0.192 40.990 40.800 -0.003 0.000 1.116 461 D HN 1.148 nan 8.370 nan 0.000 0.484 462 A N -0.721 122.094 122.820 -0.009 0.000 2.715 462 A HA -0.050 4.270 4.320 -0.000 0.000 0.301 462 A C 1.115 178.692 177.584 -0.012 0.000 1.515 462 A CA 1.175 53.205 52.037 -0.010 0.000 0.816 462 A CB -2.258 16.734 19.000 -0.013 0.000 1.004 462 A HN 1.071 nan 8.150 nan 0.000 0.483 463 G N 0.363 109.157 108.800 -0.010 0.000 3.458 463 G HA2 0.375 4.335 3.960 -0.000 0.000 0.256 463 G HA3 0.375 4.335 3.960 -0.000 0.000 0.256 463 G C 0.729 175.624 174.900 -0.009 0.000 0.938 463 G CA 0.688 45.782 45.100 -0.010 0.000 1.890 463 G HN 0.807 nan 8.290 nan 0.000 0.639 464 D N 1.512 121.907 120.400 -0.009 0.000 2.327 464 D HA -0.172 4.468 4.640 -0.000 0.000 0.205 464 D C 0.518 176.814 176.300 -0.007 0.000 1.036 464 D CA 1.833 55.828 54.000 -0.007 0.000 0.897 464 D CB -0.266 40.529 40.800 -0.008 0.000 1.117 464 D HN 0.410 nan 8.370 nan 0.000 0.471 465 D N -1.211 119.184 120.400 -0.008 0.000 2.585 465 D HA 0.500 5.140 4.640 -0.000 0.000 0.254 465 D C 0.902 177.196 176.300 -0.010 0.000 1.067 465 D CA -0.152 53.843 54.000 -0.008 0.000 1.090 465 D CB 1.303 42.100 40.800 -0.006 0.000 1.408 465 D HN 0.244 nan 8.370 nan 0.000 0.554 466 A N 0.244 123.058 122.820 -0.009 0.000 1.851 466 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 466 A C 1.812 179.388 177.584 -0.014 0.000 1.195 466 A CA 1.588 53.618 52.037 -0.012 0.000 0.622 466 A CB -0.811 18.183 19.000 -0.009 0.000 0.831 466 A HN 0.597 nan 8.150 nan 0.000 0.444 467 E N 0.008 120.202 120.200 -0.010 0.000 2.068 467 E HA -0.281 4.069 4.350 -0.000 0.000 0.207 467 E C 2.294 178.886 176.600 -0.014 0.000 1.032 467 E CA 1.364 57.758 56.400 -0.009 0.000 0.839 467 E CB -1.201 28.497 29.700 -0.005 0.000 0.758 467 E HN 0.555 nan 8.360 nan 0.000 0.457 468 A N 0.797 123.609 122.820 -0.013 0.000 1.997 468 A HA -0.361 3.959 4.320 -0.000 0.000 0.237 468 A C 2.516 180.086 177.584 -0.024 0.000 1.807 468 A CA 4.189 56.216 52.037 -0.016 0.000 0.863 468 A CB -1.689 17.302 19.000 -0.016 0.000 0.821 468 A HN 0.519 nan 8.150 nan 0.000 0.500 469 T N -2.675 111.858 114.554 -0.034 0.000 2.985 469 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 469 T C 1.904 176.563 174.700 -0.067 0.000 1.076 469 T CA 1.433 63.500 62.100 -0.054 0.000 1.135 469 T CB -0.290 68.538 68.868 -0.068 0.000 0.890 469 T HN 0.617 nan 8.240 nan 0.000 0.480 470 R N 1.355 121.824 120.500 -0.052 0.000 2.073 470 R HA 0.057 4.397 4.340 -0.000 0.000 0.234 470 R C 2.657 178.941 176.300 -0.025 0.000 1.134 470 R CA 1.460 57.532 56.100 -0.046 0.000 0.952 470 R CB -0.869 29.415 30.300 -0.027 0.000 0.850 470 R HN 0.446 nan 8.270 nan 0.000 0.433 471 A N 1.188 124.000 122.820 -0.013 0.000 1.877 471 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 471 A C 2.212 179.800 177.584 0.006 0.000 1.186 471 A CA 1.486 53.525 52.037 0.002 0.000 0.620 471 A CB -0.559 18.443 19.000 0.003 0.000 0.822 471 A HN 0.263 nan 8.150 nan 0.000 0.443 472 R N 0.133 120.628 120.500 -0.008 0.000 2.120 472 R HA 0.015 4.355 4.340 -0.000 0.000 0.234 472 R C 1.842 178.143 176.300 0.001 0.000 1.123 472 R CA 1.387 57.484 56.100 -0.004 0.000 0.975 472 R CB -1.021 29.269 30.300 -0.016 0.000 0.866 472 R HN 0.580 nan 8.270 nan 0.000 0.446 473 L N -0.253 120.953 121.223 -0.029 0.000 2.072 473 L HA 0.022 4.362 4.340 -0.000 0.000 0.205 473 L C 0.949 177.865 176.870 0.077 0.000 1.079 473 L CA 0.688 55.511 54.840 -0.028 0.000 0.752 473 L CB -0.212 41.745 42.059 -0.170 0.000 0.906 473 L HN 0.018 nan 8.230 nan 0.000 0.436 474 I N 1.410 122.018 120.570 0.063 0.000 2.268 474 I HA -0.050 4.120 4.170 -0.000 0.000 0.298 474 I C 0.620 176.804 176.117 0.111 0.000 1.185 474 I CA 0.323 61.689 61.300 0.109 0.000 1.548 474 I CB -0.242 37.796 38.000 0.065 0.000 1.492 474 I HN 0.436 nan 8.210 nan 0.000 0.711 475 Q N 1.047 120.933 119.800 0.143 0.000 7.939 475 Q HA -0.137 4.203 4.340 -0.000 0.000 0.368 475 Q C 0.843 176.898 176.000 0.091 0.000 0.943 475 Q CA 0.026 55.888 55.803 0.099 0.000 0.540 475 Q CB -0.746 28.031 28.738 0.064 0.000 0.167 475 Q HN 0.307 nan 8.270 nan 0.000 0.898 476 E N 0.095 120.354 120.200 0.099 0.000 2.097 476 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 476 E C 1.374 178.068 176.600 0.157 0.000 1.000 476 E CA 1.768 58.231 56.400 0.106 0.000 0.804 476 E CB -0.156 29.605 29.700 0.102 0.000 0.740 476 E HN 0.488 nan 8.360 nan 0.000 0.454 477 Y N 1.031 121.366 120.300 0.059 0.000 2.206 477 Y HA -0.127 4.423 4.550 -0.000 0.000 0.292 477 Y C 2.089 178.027 175.900 0.063 0.000 1.123 477 Y CA 1.315 59.455 58.100 0.068 0.000 1.142 477 Y CB 0.273 38.780 38.460 0.078 0.000 1.006 477 Y HN -0.049 nan 8.280 nan 0.000 0.518 478 E N 0.063 120.311 120.200 0.081 0.000 2.118 478 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 478 E C 1.361 177.950 176.600 -0.019 0.000 0.992 478 E CA 1.627 58.035 56.400 0.013 0.000 0.804 478 E CB -0.057 29.688 29.700 0.075 0.000 0.741 478 E HN 0.520 nan 8.360 nan 0.000 0.458 479 D N -0.603 119.801 120.400 0.007 0.000 2.289 479 D HA -0.001 4.639 4.640 -0.000 0.000 0.207 479 D C 1.430 177.726 176.300 -0.006 0.000 0.966 479 D CA 0.876 54.883 54.000 0.012 0.000 0.868 479 D CB 0.099 40.914 40.800 0.026 0.000 0.943 479 D HN 0.180 nan 8.370 nan 0.000 0.514 480 A N -0.537 122.259 122.820 -0.041 0.000 1.997 480 A HA 0.221 4.541 4.320 -0.000 0.000 0.212 480 A C 1.836 179.363 177.584 -0.095 0.000 1.178 480 A CA 0.462 52.471 52.037 -0.047 0.000 0.698 480 A CB 0.146 19.137 19.000 -0.015 0.000 0.842 480 A HN 0.196 nan 8.150 nan 0.000 0.458 481 L N -1.280 119.816 121.223 -0.212 0.000 3.017 481 L HA 0.256 4.596 4.340 -0.000 0.000 0.265 481 L C 0.524 177.286 176.870 -0.181 0.000 1.128 481 L CA -0.065 54.634 54.840 -0.235 0.000 0.984 481 L CB 0.303 42.113 42.059 -0.415 0.000 1.464 481 L HN 0.098 nan 8.230 nan 0.000 0.556 482 L N 3.034 124.156 121.223 -0.168 0.000 2.873 482 L HA 0.068 4.408 4.340 -0.000 0.000 0.252 482 L C 0.074 176.920 176.870 -0.040 0.000 1.266 482 L CA 0.216 55.027 54.840 -0.048 0.000 1.111 482 L CB -1.689 40.389 42.059 0.031 0.000 1.440 482 L HN 0.451 nan 8.230 nan 0.000 0.427 483 N N 0.198 118.866 118.700 -0.053 0.000 2.563 483 N HA 0.406 5.146 4.740 -0.000 0.000 0.288 483 N C -2.332 173.067 175.510 -0.186 0.000 1.246 483 N CA -1.987 51.019 53.050 -0.073 0.000 0.946 483 N CB 0.506 39.061 38.487 0.113 0.000 1.213 483 N HN -0.224 nan 8.380 nan 0.000 0.578 484 P HA 0.150 nan 4.420 nan 0.000 0.266 484 P C 0.013 177.128 177.300 -0.308 0.000 1.381 484 P CA 0.272 63.160 63.100 -0.354 0.000 0.940 484 P CB -0.069 31.385 31.700 -0.411 0.000 1.435 485 Y N 0.725 120.987 120.300 -0.063 0.000 2.397 485 Y HA -0.078 4.472 4.550 -0.000 0.000 0.292 485 Y C 2.838 178.690 175.900 -0.080 0.000 1.115 485 Y CA 1.748 59.813 58.100 -0.059 0.000 1.208 485 Y CB -1.384 37.048 38.460 -0.047 0.000 1.046 485 Y HN 0.045 nan 8.280 nan 0.000 0.552 486 T N -2.082 112.494 114.554 0.037 0.000 2.737 486 T HA -0.190 4.160 4.350 -0.000 0.000 0.265 486 T C 2.275 176.898 174.700 -0.128 0.000 1.038 486 T CA 1.167 63.241 62.100 -0.044 0.000 1.144 486 T CB -0.845 67.989 68.868 -0.056 0.000 0.866 486 T HN 0.230 nan 8.240 nan 0.000 0.434 487 A N 2.114 124.853 122.820 -0.134 0.000 1.958 487 A HA 0.105 4.425 4.320 -0.000 0.000 0.221 487 A C 2.807 180.313 177.584 -0.131 0.000 1.178 487 A CA 2.454 54.399 52.037 -0.153 0.000 0.642 487 A CB -1.454 17.504 19.000 -0.070 0.000 0.816 487 A HN 0.888 nan 8.150 nan 0.000 0.453 488 A N 0.282 123.068 122.820 -0.057 0.000 1.929 488 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 488 A C 1.806 179.380 177.584 -0.016 0.000 1.176 488 A CA 1.298 53.332 52.037 -0.006 0.000 0.628 488 A CB -0.535 18.501 19.000 0.061 0.000 0.816 488 A HN 0.731 nan 8.150 nan 0.000 0.444 489 E N 0.049 120.228 120.200 -0.035 0.000 2.338 489 E HA -0.144 4.206 4.350 -0.000 0.000 0.197 489 E C 1.546 178.091 176.600 -0.092 0.000 1.007 489 E CA 0.822 57.194 56.400 -0.047 0.000 0.849 489 E CB -0.210 29.465 29.700 -0.041 0.000 0.774 489 E HN 0.569 nan 8.360 nan 0.000 0.506 490 R N -0.049 120.333 120.500 -0.197 0.000 2.312 490 R HA 0.147 4.487 4.340 -0.000 0.000 0.205 490 R C 1.099 177.357 176.300 -0.070 0.000 0.904 490 R CA 0.475 56.418 56.100 -0.261 0.000 1.052 490 R CB 0.695 30.529 30.300 -0.778 0.000 1.014 490 R HN 0.316 nan 8.270 nan 0.000 0.503 491 G N 0.814 109.612 108.800 -0.004 0.000 2.159 491 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.256 491 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.256 491 G C 0.639 175.685 174.900 0.243 0.000 0.977 491 G CA 0.253 45.418 45.100 0.108 0.000 0.652 491 G HN 0.489 nan 8.290 nan 0.000 0.531 492 Y N -0.882 119.450 120.300 0.054 0.000 2.274 492 Y HA 0.139 4.689 4.550 -0.000 0.000 0.290 492 Y C 1.622 177.508 175.900 -0.023 0.000 1.145 492 Y CA 0.871 58.998 58.100 0.045 0.000 1.203 492 Y CB 0.266 38.840 38.460 0.190 0.000 0.984 492 Y HN 0.219 nan 8.280 nan 0.000 0.533 493 V N 1.065 121.070 119.914 0.151 0.000 2.448 493 V HA 0.029 4.149 4.120 -0.000 0.000 0.295 493 V C 0.082 176.191 176.094 0.025 0.000 1.025 493 V CA -0.632 61.697 62.300 0.048 0.000 0.859 493 V CB 1.652 33.483 31.823 0.015 0.000 0.988 493 V HN 0.197 nan 8.190 nan 0.000 0.431 494 D N 3.747 124.149 120.400 0.003 0.000 2.178 494 D HA 0.062 4.702 4.640 -0.000 0.000 0.201 494 D C 0.534 176.842 176.300 0.015 0.000 0.980 494 D CA 1.521 55.528 54.000 0.012 0.000 0.842 494 D CB 0.588 41.391 40.800 0.005 0.000 0.948 494 D HN 0.658 nan 8.370 nan 0.000 0.472 495 A N -0.545 122.268 122.820 -0.013 0.000 2.601 495 A HA 0.492 4.812 4.320 -0.000 0.000 0.291 495 A C -1.432 176.132 177.584 -0.034 0.000 1.075 495 A CA -0.660 51.373 52.037 -0.008 0.000 0.671 495 A CB 1.430 20.427 19.000 -0.004 0.000 1.277 495 A HN -0.125 nan 8.150 nan 0.000 0.417 496 V N 1.667 121.582 119.914 0.001 0.000 2.384 496 V HA 0.624 4.744 4.120 -0.000 0.000 0.287 496 V C -0.180 175.928 176.094 0.023 0.000 1.020 496 V CA -0.173 62.121 62.300 -0.009 0.000 0.850 496 V CB 0.621 32.445 31.823 0.002 0.000 0.987 496 V HN 0.887 nan 8.190 nan 0.000 0.436 497 I N 1.638 122.223 120.570 0.025 0.000 2.846 497 I HA 0.760 4.930 4.170 -0.000 0.000 0.307 497 I C -0.234 175.881 176.117 -0.004 0.000 1.053 497 I CA -1.261 60.049 61.300 0.017 0.000 1.050 497 I CB 1.823 39.783 38.000 -0.066 0.000 1.239 497 I HN 0.483 nan 8.210 nan 0.000 0.439 498 M N 4.455 124.033 119.600 -0.037 0.000 2.245 498 M HA 0.297 4.777 4.480 -0.000 0.000 0.344 498 M C -1.924 174.181 176.300 -0.325 0.000 1.170 498 M CA -1.551 53.658 55.300 -0.151 0.000 1.135 498 M CB 0.556 33.099 32.600 -0.095 0.000 1.574 498 M HN 0.439 nan 8.290 nan 0.000 0.452 499 P HA -0.101 nan 4.420 nan 0.000 0.217 499 P C 0.981 177.970 177.300 -0.520 0.000 1.150 499 P CA 1.482 63.786 63.100 -1.328 0.000 0.832 499 P CB -0.152 30.304 31.700 -2.073 0.000 0.787 500 S N -1.629 113.875 115.700 -0.327 0.000 2.547 500 S HA -0.106 4.364 4.470 -0.000 0.000 0.235 500 S C 1.263 175.853 174.600 -0.017 0.000 0.980 500 S CA 1.016 59.137 58.200 -0.132 0.000 0.941 500 S CB -0.994 62.147 63.200 -0.099 0.000 0.763 500 S HN 0.043 nan 8.310 nan 0.000 0.532 501 D N 1.036 121.444 120.400 0.012 0.000 2.349 501 D HA 0.158 4.798 4.640 -0.000 0.000 0.214 501 D C 1.469 177.919 176.300 0.251 0.000 1.063 501 D CA 0.352 54.433 54.000 0.135 0.000 0.847 501 D CB -0.035 40.877 40.800 0.187 0.000 0.933 501 D HN 0.374 nan 8.370 nan 0.000 0.513 502 T N 0.594 115.294 114.554 0.244 0.000 2.580 502 T HA -0.231 4.119 4.350 -0.000 0.000 0.265 502 T C 1.942 176.821 174.700 0.299 0.000 1.063 502 T CA 1.196 63.506 62.100 0.350 0.000 1.170 502 T CB 0.005 69.169 68.868 0.495 0.000 0.863 502 T HN 0.174 nan 8.240 nan 0.000 0.418 503 R N 0.915 121.561 120.500 0.242 0.000 2.094 503 R HA -0.146 4.194 4.340 -0.000 0.000 0.239 503 R C 2.633 179.027 176.300 0.157 0.000 1.137 503 R CA 1.645 57.863 56.100 0.197 0.000 0.943 503 R CB -0.158 30.236 30.300 0.156 0.000 0.850 503 R HN 0.366 nan 8.270 nan 0.000 0.433 504 R N -0.957 119.618 120.500 0.126 0.000 2.091 504 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 504 R C 2.403 178.725 176.300 0.037 0.000 1.136 504 R CA 1.500 57.638 56.100 0.062 0.000 0.959 504 R CB -0.547 29.765 30.300 0.021 0.000 0.856 504 R HN 0.495 nan 8.270 nan 0.000 0.437 505 H N 0.402 119.524 119.070 0.086 0.000 2.293 505 H HA -0.104 4.452 4.556 -0.000 0.000 0.300 505 H C 2.273 177.646 175.328 0.075 0.000 1.082 505 H CA 1.707 57.802 56.048 0.079 0.000 1.308 505 H CB -0.054 29.762 29.762 0.090 0.000 1.375 505 H HN 0.056 nan 8.280 nan 0.000 0.495 506 I N 0.113 120.816 120.570 0.221 0.000 2.118 506 I HA -0.262 3.908 4.170 -0.000 0.000 0.241 506 I C 2.701 178.888 176.117 0.117 0.000 1.070 506 I CA 0.807 62.201 61.300 0.157 0.000 1.327 506 I CB -0.534 37.575 38.000 0.181 0.000 1.034 506 I HN -0.016 nan 8.210 nan 0.000 0.405 507 V N 0.430 120.409 119.914 0.108 0.000 2.252 507 V HA -0.340 3.780 4.120 -0.000 0.000 0.249 507 V C 2.638 178.764 176.094 0.054 0.000 1.056 507 V CA 2.042 64.389 62.300 0.078 0.000 1.022 507 V CB -0.726 31.136 31.823 0.066 0.000 0.641 507 V HN 0.376 nan 8.190 nan 0.000 0.445 508 R N -0.273 120.246 120.500 0.032 0.000 2.115 508 R HA -0.063 4.277 4.340 -0.000 0.000 0.226 508 R C 2.404 178.721 176.300 0.028 0.000 1.100 508 R CA 1.271 57.377 56.100 0.010 0.000 0.980 508 R CB -0.716 29.561 30.300 -0.038 0.000 0.875 508 R HN 0.621 nan 8.270 nan 0.000 0.445 509 G N 1.265 110.096 108.800 0.052 0.000 2.414 509 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.215 509 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.215 509 G C 1.512 176.442 174.900 0.049 0.000 1.188 509 G CA 0.203 45.338 45.100 0.058 0.000 0.783 509 G HN 0.120 nan 8.290 nan 0.000 0.537 510 L N -0.086 121.171 121.223 0.058 0.000 2.043 510 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 510 L C 3.182 180.079 176.870 0.045 0.000 1.075 510 L CA 1.261 56.135 54.840 0.056 0.000 0.752 510 L CB -0.414 41.688 42.059 0.072 0.000 0.891 510 L HN 0.184 nan 8.230 nan 0.000 0.432 511 R N -0.462 120.063 120.500 0.041 0.000 2.070 511 R HA -0.168 4.172 4.340 -0.000 0.000 0.233 511 R C 2.391 178.707 176.300 0.026 0.000 1.137 511 R CA 1.379 57.498 56.100 0.032 0.000 0.945 511 R CB -0.285 30.031 30.300 0.027 0.000 0.845 511 R HN 0.469 nan 8.270 nan 0.000 0.430 512 Q N 0.452 120.267 119.800 0.025 0.000 2.119 512 Q HA -0.073 4.267 4.340 -0.000 0.000 0.201 512 Q C 2.106 178.118 176.000 0.021 0.000 0.972 512 Q CA 0.993 56.808 55.803 0.021 0.000 0.847 512 Q CB 0.028 28.779 28.738 0.020 0.000 0.903 512 Q HN 0.406 nan 8.270 nan 0.000 0.433 513 L N 0.389 121.628 121.223 0.025 0.000 2.610 513 L HA -0.013 4.327 4.340 -0.000 0.000 0.232 513 L C 2.297 179.182 176.870 0.024 0.000 1.149 513 L CA 0.142 54.996 54.840 0.023 0.000 0.872 513 L CB -0.225 41.850 42.059 0.026 0.000 0.992 513 L HN 0.117 nan 8.230 nan 0.000 0.447 514 R N 0.263 120.778 120.500 0.025 0.000 2.193 514 R HA -0.119 4.221 4.340 -0.000 0.000 0.229 514 R C 1.562 177.872 176.300 0.017 0.000 1.110 514 R CA 1.669 57.783 56.100 0.024 0.000 0.988 514 R CB 0.034 30.348 30.300 0.023 0.000 0.871 514 R HN 0.378 nan 8.270 nan 0.000 0.458 515 T N -2.448 112.115 114.554 0.014 0.000 3.214 515 T HA 0.173 4.523 4.350 -0.000 0.000 0.264 515 T C 0.194 174.899 174.700 0.008 0.000 1.012 515 T CA -0.548 61.558 62.100 0.009 0.000 0.901 515 T CB 0.146 69.018 68.868 0.008 0.000 1.070 515 T HN 0.002 nan 8.240 nan 0.000 0.561 516 K N 2.653 123.059 120.400 0.010 0.000 2.447 516 K HA 0.141 4.461 4.320 -0.000 0.000 0.281 516 K C -0.005 176.597 176.600 0.003 0.000 1.031 516 K CA -0.324 55.967 56.287 0.007 0.000 1.019 516 K CB 0.382 32.887 32.500 0.009 0.000 0.918 516 K HN 0.583 nan 8.250 nan 0.000 0.476 517 R N 2.746 123.246 120.500 0.000 0.000 2.532 517 R HA 0.372 4.712 4.340 -0.000 0.000 0.297 517 R C -1.043 175.254 176.300 -0.006 0.000 0.984 517 R CA -0.886 55.212 56.100 -0.003 0.000 0.884 517 R CB 1.707 32.005 30.300 -0.004 0.000 1.182 517 R HN 0.524 nan 8.270 nan 0.000 0.442 518 E N 1.227 121.421 120.200 -0.009 0.000 2.447 518 E HA 0.499 4.849 4.350 -0.000 0.000 0.251 518 E C -0.768 175.823 176.600 -0.015 0.000 0.910 518 E CA -1.103 55.289 56.400 -0.012 0.000 0.841 518 E CB 2.265 31.956 29.700 -0.015 0.000 1.403 518 E HN 0.515 nan 8.360 nan 0.000 0.400 519 S N -0.879 114.810 115.700 -0.018 0.000 4.199 519 S HA 0.757 5.227 4.470 -0.000 0.000 0.257 519 S C -1.884 172.702 174.600 -0.023 0.000 1.079 519 S CA -0.358 57.830 58.200 -0.019 0.000 1.498 519 S CB 0.850 64.040 63.200 -0.016 0.000 1.260 519 S HN 0.352 nan 8.310 nan 0.000 0.749 520 L N 1.009 122.218 121.223 -0.023 0.000 5.393 520 L HA 0.229 4.569 4.340 -0.000 0.000 0.225 520 L C -2.975 173.881 176.870 -0.024 0.000 1.070 520 L CA -0.528 54.296 54.840 -0.027 0.000 0.759 520 L CB -1.155 40.883 42.059 -0.034 0.000 1.357 520 L HN 0.519 nan 8.230 nan 0.000 0.198 521 P HA 0.299 nan 4.420 nan 0.000 0.262 521 P C -2.424 174.862 177.300 -0.024 0.000 1.182 521 P CA -0.242 62.844 63.100 -0.023 0.000 0.761 521 P CB -0.224 31.461 31.700 -0.024 0.000 0.795 522 P HA 0.097 nan 4.420 nan 0.000 0.265 522 P C -0.428 176.853 177.300 -0.032 0.000 1.193 522 P CA 0.205 63.291 63.100 -0.025 0.000 0.765 522 P CB 0.405 32.090 31.700 -0.024 0.000 0.823 523 K N 0.742 121.121 120.400 -0.034 0.000 2.508 523 K HA 0.420 4.740 4.320 -0.000 0.000 0.260 523 K C 0.215 176.779 176.600 -0.060 0.000 0.949 523 K CA -1.041 55.211 56.287 -0.058 0.000 0.834 523 K CB 1.996 34.465 32.500 -0.051 0.000 1.365 523 K HN -0.067 nan 8.250 nan 0.000 0.437 524 K N 0.046 120.376 120.400 -0.118 0.000 2.057 524 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 524 K C -0.065 176.546 176.600 0.018 0.000 1.049 524 K CA 2.051 58.289 56.287 -0.081 0.000 0.931 524 K CB -0.348 32.057 32.500 -0.158 0.000 0.714 524 K HN 0.867 nan 8.250 nan 0.000 0.440 525 H N -4.713 114.363 119.070 0.010 0.000 2.901 525 H HA 0.353 4.909 4.556 -0.000 0.000 0.267 525 H C -0.391 174.967 175.328 0.050 0.000 1.434 525 H CA -0.649 55.413 56.048 0.023 0.000 1.215 525 H CB 0.202 29.970 29.762 0.009 0.000 1.825 525 H HN 0.032 nan 8.280 nan 0.000 0.470 526 G N -0.676 108.317 108.800 0.322 0.000 2.543 526 G HA2 0.315 4.275 3.960 -0.000 0.000 0.290 526 G HA3 0.315 4.275 3.960 -0.000 0.000 0.290 526 G C -0.441 174.659 174.900 0.332 0.000 1.310 526 G CA -0.472 44.825 45.100 0.329 0.000 1.025 526 G HN 0.785 nan 8.290 nan 0.000 0.502 527 N N -0.815 118.015 118.700 0.216 0.000 2.644 527 N HA 0.129 4.869 4.740 -0.000 0.000 0.313 527 N C -0.083 175.358 175.510 -0.115 0.000 1.863 527 N CA -0.588 52.511 53.050 0.081 0.000 0.918 527 N CB -0.136 38.409 38.487 0.097 0.000 1.320 527 N HN 0.448 nan 8.380 nan 0.000 0.490 528 I N 0.997 121.294 120.570 -0.456 0.000 2.919 528 I HA 0.047 4.217 4.170 -0.000 0.000 0.303 528 I C -1.732 174.162 176.117 -0.372 0.000 1.221 528 I CA -0.961 59.820 61.300 -0.866 0.000 1.444 528 I CB 0.685 38.041 38.000 -1.072 0.000 1.331 528 I HN 0.245 nan 8.210 nan 0.000 0.572 529 P HA 0.064 nan 4.420 nan 0.000 0.258 529 P C -0.680 176.542 177.300 -0.130 0.000 1.214 529 P CA 0.424 63.448 63.100 -0.127 0.000 0.872 529 P CB 0.103 31.764 31.700 -0.064 0.000 0.890 530 L N 0.000 121.154 121.223 -0.115 0.000 2.949 530 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 530 L CA 0.000 54.780 54.840 -0.099 0.000 0.813 530 L CB 0.000 41.996 42.059 -0.106 0.000 0.961 530 L HN 0.000 nan 8.230 nan 0.000 0.502