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 2bm1_1_A DATA FIRST_RESID 4 DATA SEQUENCE KVEYDLKRLR NIVIAAHIDA GKTTTTERIL YYTGRIXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XITAAVTTCF WKDHRINIID TPGHVDFTIE VERSMRVLDG DATA SEQUENCE AIVVFDSSQG VEPQSETVWR QAEKYKVPRI AFANKMDKTG ADLWLVIRTM DATA SEQUENCE QERLGARPVV MQLPIGREDT FSGIIDVLRM KAYTYGNDLG TDIREIPIPE DATA SEQUENCE EYLDQAREYH EKLVEVAADF DENIMLKYLE GEEPTEEELV AAIRKGTIDL DATA SEQUENCE KITPVFLGSA LKNKGVQLLL DAVVDYLPSP LDIPPIKGTT PEGEVVEIHP DATA SEQUENCE DPNGPLAALA FKIMADPYVG RLTFIRVYSG TLTSGSYVYN TTKGRKERVA DATA SEQUENCE RLLRMHANHR EEVEELKAGD LGAVVGLKET ITGDTLVGED APRVILESIE DATA SEQUENCE VPEPVIDVAI EPKTKADQEK LSQALARLAE EDPTFRVSTH PETGQTIISG DATA SEQUENCE MGELHLEIIV DRLKREFKVD ANVGKPQVAY RETITKPVDV EGKFIRQTGG DATA SEQUENCE RGQYGHVKIK VEPLPRGSGF EFVNAIVGGV IPKEYIPAVQ KGIEEAMQSG DATA SEQUENCE PLIGFPVVDI KVTLYDGSYH EVDSSEMAFK IAGSMAIKEA VQKGDPVILE DATA SEQUENCE PIMRVEVTTP EEYMGDVIGD LNARRGQILG MEPRGNAQVI RAFVPLAEMF DATA SEQUENCE GYATDLRSKT QGRGSFVMFF DHYQEVPKQV QEKLI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.717 176.600 0.196 0.000 0.988 4 K CA 0.000 56.363 56.287 0.126 0.000 0.838 4 K CB 0.000 32.541 32.500 0.069 0.000 1.064 5 V N 2.604 122.626 119.914 0.181 0.000 2.901 5 V HA -0.034 4.087 4.120 0.002 0.000 0.307 5 V C 0.463 176.641 176.094 0.139 0.000 1.084 5 V CA 0.519 62.861 62.300 0.071 0.000 1.184 5 V CB 0.777 32.547 31.823 -0.088 0.000 0.941 5 V HN 0.728 nan 8.190 nan 0.000 0.493 6 E N 4.236 124.487 120.200 0.085 0.000 3.197 6 E HA -0.206 4.145 4.350 0.002 0.000 0.251 6 E C -0.620 176.067 176.600 0.146 0.000 0.912 6 E CA 0.405 56.868 56.400 0.104 0.000 0.960 6 E CB 0.012 29.747 29.700 0.057 0.000 0.897 6 E HN 0.625 nan 8.360 nan 0.000 0.550 7 Y N 4.637 124.963 120.300 0.044 0.000 2.632 7 Y HA -0.018 4.533 4.550 0.002 0.000 0.329 7 Y C -0.219 175.688 175.900 0.011 0.000 1.174 7 Y CA 0.346 58.467 58.100 0.034 0.000 1.469 7 Y CB 0.588 39.064 38.460 0.027 0.000 1.242 7 Y HN 0.343 nan 8.280 nan 0.000 0.540 8 D N 6.293 126.375 120.400 -0.530 0.000 2.896 8 D HA 0.117 4.758 4.640 0.002 0.000 0.241 8 D C 0.280 176.148 176.300 -0.720 0.000 1.188 8 D CA -0.476 53.190 54.000 -0.557 0.000 0.879 8 D CB 1.893 42.537 40.800 -0.260 0.000 1.553 8 D HN 0.850 nan 8.370 nan 0.000 0.515 9 L N 3.036 123.868 121.223 -0.651 0.000 2.093 9 L HA -0.061 4.280 4.340 0.002 0.000 0.208 9 L C 2.223 178.947 176.870 -0.242 0.000 1.085 9 L CA 0.952 55.544 54.840 -0.414 0.000 0.755 9 L CB 0.048 42.006 42.059 -0.168 0.000 0.904 9 L HN 0.379 nan 8.230 nan 0.000 0.435 10 K N -0.271 120.005 120.400 -0.206 0.000 2.362 10 K HA -0.148 4.173 4.320 0.002 0.000 0.200 10 K C 1.593 178.071 176.600 -0.203 0.000 1.046 10 K CA 0.871 57.071 56.287 -0.146 0.000 0.952 10 K CB 0.161 32.596 32.500 -0.108 0.000 0.753 10 K HN 0.177 nan 8.250 nan 0.000 0.466 11 R N -0.162 120.144 120.500 -0.322 0.000 2.432 11 R HA 0.143 4.484 4.340 0.002 0.000 0.260 11 R C -0.451 175.686 176.300 -0.272 0.000 0.935 11 R CA -0.309 55.469 56.100 -0.537 0.000 1.080 11 R CB 0.428 30.348 30.300 -0.634 0.000 1.155 11 R HN -0.056 nan 8.270 nan 0.000 0.531 12 L N 0.513 121.629 121.223 -0.179 0.000 2.418 12 L HA 0.328 4.669 4.340 0.002 0.000 0.265 12 L C -0.095 176.750 176.870 -0.041 0.000 1.143 12 L CA 0.131 54.907 54.840 -0.107 0.000 0.809 12 L CB 1.075 43.074 42.059 -0.101 0.000 1.124 12 L HN -0.036 nan 8.230 nan 0.000 0.456 13 R N 2.150 122.625 120.500 -0.040 0.000 2.797 13 R HA 0.325 4.666 4.340 0.002 0.000 0.274 13 R C -1.213 175.049 176.300 -0.063 0.000 1.652 13 R CA -0.280 55.803 56.100 -0.027 0.000 1.175 13 R CB 0.268 30.575 30.300 0.011 0.000 1.283 13 R HN 0.530 nan 8.270 nan 0.000 0.513 14 N N 4.808 123.467 118.700 -0.068 0.000 2.420 14 N HA 0.331 5.072 4.740 0.002 0.000 0.249 14 N C -0.303 175.152 175.510 -0.093 0.000 1.033 14 N CA -0.154 52.842 53.050 -0.091 0.000 0.944 14 N CB 1.135 39.560 38.487 -0.103 0.000 1.113 14 N HN 0.581 nan 8.380 nan 0.000 0.502 15 I N -1.594 118.916 120.570 -0.101 0.000 3.042 15 I HA 0.713 4.884 4.170 0.002 0.000 0.310 15 I C -1.052 175.002 176.117 -0.106 0.000 1.117 15 I CA -0.955 60.287 61.300 -0.097 0.000 1.003 15 I CB 2.134 40.078 38.000 -0.094 0.000 1.228 15 I HN -0.036 nan 8.210 nan 0.000 0.443 16 V N 4.120 123.975 119.914 -0.098 0.000 2.823 16 V HA 0.517 4.638 4.120 0.002 0.000 0.312 16 V C -0.343 175.700 176.094 -0.085 0.000 1.072 16 V CA -0.622 61.621 62.300 -0.095 0.000 0.937 16 V CB 2.349 34.114 31.823 -0.097 0.000 1.013 16 V HN 0.530 nan 8.190 nan 0.000 0.430 17 I N 4.096 124.618 120.570 -0.081 0.000 2.328 17 I HA 0.665 4.836 4.170 0.002 0.000 0.287 17 I C 0.253 176.330 176.117 -0.066 0.000 1.012 17 I CA -0.310 60.947 61.300 -0.072 0.000 1.195 17 I CB 1.448 39.405 38.000 -0.072 0.000 1.350 17 I HN 0.664 nan 8.210 nan 0.000 0.464 18 A N 5.483 128.261 122.820 -0.069 0.000 2.330 18 A HA 1.014 5.335 4.320 0.002 0.000 0.329 18 A C -0.455 177.077 177.584 -0.086 0.000 1.135 18 A CA -0.416 51.578 52.037 -0.072 0.000 0.817 18 A CB 1.753 20.712 19.000 -0.069 0.000 1.269 18 A HN 0.934 nan 8.150 nan 0.000 0.469 19 A N 0.086 122.863 122.820 -0.072 0.000 2.571 19 A HA 0.502 4.823 4.320 0.002 0.000 0.296 19 A C -0.797 176.792 177.584 0.008 0.000 1.005 19 A CA -0.506 51.496 52.037 -0.059 0.000 0.682 19 A CB -0.325 18.648 19.000 -0.044 0.000 1.292 19 A HN 1.495 nan 8.150 nan 0.000 0.420 20 H N 0.842 119.877 119.070 -0.058 0.000 2.928 20 H HA 0.393 4.950 4.556 0.002 0.000 0.338 20 H C 0.520 175.836 175.328 -0.020 0.000 1.047 20 H CA 0.144 56.176 56.048 -0.027 0.000 1.435 20 H CB 0.388 30.156 29.762 0.010 0.000 1.428 20 H HN 0.772 nan 8.280 nan 0.000 0.590 21 I N 4.766 125.463 120.570 0.212 0.000 2.906 21 I HA -0.207 3.964 4.170 0.002 0.000 0.301 21 I C 0.446 176.705 176.117 0.236 0.000 1.221 21 I CA 1.430 62.844 61.300 0.191 0.000 1.435 21 I CB -0.174 37.880 38.000 0.090 0.000 1.345 21 I HN 1.084 nan 8.210 nan 0.000 0.558 22 D N 3.183 123.646 120.400 0.104 0.000 2.954 22 D HA -0.199 4.442 4.640 0.002 0.000 0.200 22 D C 0.979 177.291 176.300 0.019 0.000 1.022 22 D CA 1.182 55.213 54.000 0.051 0.000 1.003 22 D CB -1.127 39.697 40.800 0.041 0.000 1.073 22 D HN 0.712 nan 8.370 nan 0.000 0.438 23 A N -0.032 122.805 122.820 0.027 0.000 2.123 23 A HA 0.550 4.871 4.320 0.002 0.000 0.214 23 A C 1.920 179.507 177.584 0.005 0.000 1.152 23 A CA 1.627 53.663 52.037 -0.002 0.000 0.728 23 A CB 0.137 19.139 19.000 0.003 0.000 0.814 23 A HN 1.214 nan 8.150 nan 0.000 0.464 24 G N -0.448 108.365 108.800 0.022 0.000 2.147 24 G HA2 -0.184 3.777 3.960 0.002 0.000 0.128 24 G HA3 -0.184 3.777 3.960 0.002 0.000 0.128 24 G C 0.705 175.633 174.900 0.046 0.000 1.026 24 G CA 0.678 45.801 45.100 0.037 0.000 0.693 24 G HN 0.509 nan 8.290 nan 0.000 0.499 25 K N -0.023 120.392 120.400 0.026 0.000 2.020 25 K HA -0.117 4.204 4.320 0.002 0.000 0.212 25 K C 2.435 179.036 176.600 0.002 0.000 1.050 25 K CA 2.465 58.757 56.287 0.009 0.000 0.929 25 K CB -0.302 32.194 32.500 -0.006 0.000 0.714 25 K HN 0.274 nan 8.250 nan 0.000 0.443 26 T N 0.099 114.656 114.554 0.004 0.000 2.812 26 T HA -0.083 4.268 4.350 0.002 0.000 0.264 26 T C 1.809 176.511 174.700 0.004 0.000 1.042 26 T CA 1.712 63.811 62.100 -0.000 0.000 1.140 26 T CB -0.393 68.475 68.868 0.001 0.000 0.870 26 T HN 0.363 nan 8.240 nan 0.000 0.445 27 T N 1.918 116.481 114.554 0.015 0.000 2.720 27 T HA -0.121 4.230 4.350 0.002 0.000 0.268 27 T C 2.269 176.986 174.700 0.028 0.000 1.037 27 T CA 1.671 63.783 62.100 0.021 0.000 1.144 27 T CB -0.659 68.229 68.868 0.033 0.000 0.864 27 T HN 0.395 nan 8.240 nan 0.000 0.444 28 T N 1.653 116.227 114.554 0.034 0.000 2.737 28 T HA -0.103 4.248 4.350 0.002 0.000 0.265 28 T C 2.310 176.986 174.700 -0.039 0.000 1.038 28 T CA 1.593 63.697 62.100 0.007 0.000 1.144 28 T CB -0.698 68.180 68.868 0.017 0.000 0.866 28 T HN 0.386 nan 8.240 nan 0.000 0.434 29 T N 1.835 116.368 114.554 -0.035 0.000 2.652 29 T HA -0.143 4.208 4.350 0.002 0.000 0.267 29 T C 1.948 176.635 174.700 -0.021 0.000 1.039 29 T CA 1.228 63.301 62.100 -0.045 0.000 1.153 29 T CB -0.298 68.546 68.868 -0.039 0.000 0.863 29 T HN 0.337 nan 8.240 nan 0.000 0.428 30 E N 0.932 121.131 120.200 -0.002 0.000 2.110 30 E HA -0.166 4.185 4.350 0.002 0.000 0.193 30 E C 2.396 179.022 176.600 0.042 0.000 0.988 30 E CA 0.984 57.392 56.400 0.014 0.000 0.804 30 E CB -0.006 29.697 29.700 0.005 0.000 0.745 30 E HN 0.277 nan 8.360 nan 0.000 0.458 31 R N 0.193 120.726 120.500 0.055 0.000 2.090 31 R HA -0.000 4.341 4.340 0.002 0.000 0.228 31 R C 2.606 179.035 176.300 0.215 0.000 1.110 31 R CA 0.522 56.699 56.100 0.129 0.000 0.973 31 R CB -0.758 29.651 30.300 0.181 0.000 0.869 31 R HN 0.313 nan 8.270 nan 0.000 0.440 32 I N 0.827 121.449 120.570 0.085 0.000 2.264 32 I HA -0.280 3.891 4.170 0.002 0.000 0.248 32 I C 1.794 177.921 176.117 0.018 0.000 1.111 32 I CA 0.947 62.245 61.300 -0.004 0.000 1.382 32 I CB -0.091 37.833 38.000 -0.127 0.000 1.060 32 I HN 0.043 nan 8.210 nan 0.000 0.418 33 L N -0.682 120.560 121.223 0.031 0.000 2.179 33 L HA -0.188 4.153 4.340 0.002 0.000 0.208 33 L C 2.264 179.163 176.870 0.049 0.000 1.096 33 L CA 1.643 56.502 54.840 0.032 0.000 0.779 33 L CB -1.488 40.585 42.059 0.023 0.000 0.922 33 L HN 0.276 nan 8.230 nan 0.000 0.443 34 Y N -0.511 119.758 120.300 -0.052 0.000 2.114 34 Y HA -0.295 4.256 4.550 0.002 0.000 0.284 34 Y C 2.536 178.372 175.900 -0.105 0.000 1.143 34 Y CA 1.709 59.733 58.100 -0.127 0.000 1.135 34 Y CB -0.642 37.660 38.460 -0.263 0.000 0.980 34 Y HN 0.162 nan 8.280 nan 0.000 0.499 35 Y N 0.151 120.343 120.300 -0.179 0.000 2.293 35 Y HA -0.188 4.363 4.550 0.002 0.000 0.291 35 Y C 2.774 178.696 175.900 0.037 0.000 1.137 35 Y CA 1.823 59.822 58.100 -0.169 0.000 1.202 35 Y CB -0.643 37.761 38.460 -0.092 0.000 0.990 35 Y HN 0.299 nan 8.280 nan 0.000 0.537 36 T N -3.972 110.698 114.554 0.193 0.000 3.043 36 T HA 0.027 4.378 4.350 0.002 0.000 0.263 36 T C 2.060 176.875 174.700 0.193 0.000 1.094 36 T CA 0.819 63.105 62.100 0.310 0.000 1.127 36 T CB -0.518 68.485 68.868 0.225 0.000 0.905 36 T HN 0.337 nan 8.240 nan 0.000 0.490 37 G N 1.154 109.991 108.800 0.061 0.000 2.813 37 G HA2 0.063 4.024 3.960 0.002 0.000 0.209 37 G HA3 0.063 4.024 3.960 0.002 0.000 0.209 37 G C 0.799 175.690 174.900 -0.016 0.000 1.150 37 G CA -0.671 44.451 45.100 0.037 0.000 0.785 37 G HN 0.442 nan 8.290 nan 0.000 0.535 38 R N 0.273 120.724 120.500 -0.081 0.000 2.357 38 R HA 0.533 4.874 4.340 0.002 0.000 0.330 38 R C -0.560 175.736 176.300 -0.007 0.000 1.102 38 R CA 0.333 56.388 56.100 -0.074 0.000 0.974 38 R CB -0.228 30.002 30.300 -0.117 0.000 1.002 38 R HN 0.282 nan 8.270 nan 0.000 0.463 66 T N 0.711 115.263 114.554 -0.003 0.000 2.142 66 T HA -0.240 4.111 4.350 0.002 0.000 0.179 66 T C 1.546 176.224 174.700 -0.036 0.000 1.682 66 T CA 2.983 65.081 62.100 -0.004 0.000 0.955 66 T CB -1.699 67.181 68.868 0.020 0.000 0.784 66 T HN 2.809 nan 8.240 nan 0.000 0.441 67 A N 1.914 124.721 122.820 -0.021 0.000 2.600 67 A HA 0.442 4.763 4.320 0.002 0.000 0.244 67 A C 1.792 179.209 177.584 -0.280 0.000 1.016 67 A CA 0.562 52.547 52.037 -0.087 0.000 0.778 67 A CB -0.390 18.614 19.000 0.007 0.000 0.920 67 A HN 1.247 nan 8.150 nan 0.000 0.513 68 A N 2.340 124.745 122.820 -0.691 0.000 2.119 68 A HA 0.354 4.675 4.320 0.002 0.000 0.217 68 A C 0.910 178.253 177.584 -0.400 0.000 1.153 68 A CA 1.449 53.099 52.037 -0.645 0.000 0.692 68 A CB -0.073 18.346 19.000 -0.969 0.000 0.799 68 A HN 1.801 nan 8.150 nan 0.000 0.458 69 V N 0.364 120.029 119.914 -0.415 0.000 2.567 69 V HA 0.469 4.590 4.120 0.002 0.000 0.298 69 V C -1.016 175.048 176.094 -0.051 0.000 1.047 69 V CA -0.361 61.883 62.300 -0.093 0.000 0.880 69 V CB 1.877 33.761 31.823 0.101 0.000 1.009 69 V HN 0.210 nan 8.190 nan 0.000 0.429 70 T N 4.814 119.327 114.554 -0.070 0.000 2.829 70 T HA 0.532 4.883 4.350 0.002 0.000 0.282 70 T C -0.182 174.444 174.700 -0.124 0.000 0.990 70 T CA -0.096 61.958 62.100 -0.077 0.000 1.028 70 T CB 1.474 70.301 68.868 -0.068 0.000 0.951 70 T HN 0.807 nan 8.240 nan 0.000 0.460 71 T N 1.214 115.643 114.554 -0.208 0.000 2.912 71 T HA 0.718 5.069 4.350 0.002 0.000 0.288 71 T C -0.443 174.069 174.700 -0.314 0.000 1.030 71 T CA -0.541 61.387 62.100 -0.288 0.000 1.020 71 T CB 0.224 68.883 68.868 -0.348 0.000 1.056 71 T HN 1.021 nan 8.240 nan 0.000 0.480 72 C N 1.815 120.946 119.300 -0.282 0.000 3.284 72 C HA 0.847 5.308 4.460 0.002 0.000 0.348 72 C C -1.904 172.952 174.990 -0.224 0.000 1.448 72 C CA -1.270 57.679 59.018 -0.116 0.000 1.223 72 C CB 0.102 27.834 27.740 -0.013 0.000 1.588 72 C HN 0.795 nan 8.230 nan 0.000 0.451 73 F N 1.093 121.128 119.950 0.142 0.000 2.556 73 F HA 0.779 5.307 4.527 0.002 0.000 0.314 73 F C -0.646 175.326 175.800 0.288 0.000 1.106 73 F CA -0.179 57.923 58.000 0.170 0.000 0.911 73 F CB 1.859 40.935 39.000 0.126 0.000 1.190 73 F HN 0.915 nan 8.300 nan 0.000 0.448 74 W N 6.396 127.823 121.300 0.212 0.000 3.405 74 W HA 0.291 4.952 4.660 0.002 0.000 0.329 74 W C -0.781 175.784 176.519 0.075 0.000 1.142 74 W CA -0.784 56.616 57.345 0.092 0.000 1.235 74 W CB 1.512 30.966 29.460 -0.010 0.000 1.341 74 W HN 0.540 nan 8.180 nan 0.000 0.481 75 K N 2.087 122.074 120.400 -0.688 0.000 1.888 75 K HA -0.270 4.051 4.320 0.002 0.000 0.114 75 K C -0.117 176.472 176.600 -0.018 0.000 1.252 75 K CA 1.670 57.722 56.287 -0.391 0.000 0.446 75 K CB -1.096 31.186 32.500 -0.362 0.000 0.566 75 K HN 0.580 nan 8.250 nan 0.000 0.937 76 D N 2.132 122.651 120.400 0.198 0.000 3.088 76 D HA 0.240 4.881 4.640 0.002 0.000 0.310 76 D C -0.383 176.135 176.300 0.363 0.000 1.351 76 D CA 0.173 54.324 54.000 0.251 0.000 0.921 76 D CB -0.174 40.689 40.800 0.105 0.000 1.045 76 D HN 0.247 nan 8.370 nan 0.000 0.504 77 H N 0.333 119.520 119.070 0.196 0.000 2.771 77 H HA 0.300 4.857 4.556 0.002 0.000 0.361 77 H C -0.236 175.099 175.328 0.012 0.000 1.108 77 H CA -0.833 55.275 56.048 0.101 0.000 1.201 77 H CB 2.741 32.537 29.762 0.057 0.000 1.681 77 H HN -0.045 nan 8.280 nan 0.000 0.534 78 R N 3.706 124.147 120.500 -0.098 0.000 2.265 78 R HA 0.337 4.678 4.340 0.002 0.000 0.314 78 R C -0.896 175.270 176.300 -0.224 0.000 1.053 78 R CA -0.330 55.487 56.100 -0.471 0.000 0.931 78 R CB 0.334 30.357 30.300 -0.461 0.000 1.024 78 R HN 0.493 nan 8.270 nan 0.000 0.457 79 I N 4.361 124.790 120.570 -0.234 0.000 2.339 79 I HA 0.211 4.382 4.170 0.002 0.000 0.290 79 I C -0.431 175.581 176.117 -0.175 0.000 0.994 79 I CA -0.916 60.297 61.300 -0.146 0.000 1.191 79 I CB 1.682 39.620 38.000 -0.103 0.000 1.343 79 I HN 0.562 nan 8.210 nan 0.000 0.458 80 N N 7.795 126.410 118.700 -0.141 0.000 2.485 80 N HA 0.452 5.193 4.740 0.002 0.000 0.243 80 N C -0.617 174.826 175.510 -0.112 0.000 0.987 80 N CA -0.304 52.670 53.050 -0.127 0.000 0.940 80 N CB 1.684 40.109 38.487 -0.103 0.000 1.122 80 N HN 0.458 nan 8.380 nan 0.000 0.509 81 I N 3.247 123.752 120.570 -0.109 0.000 2.325 81 I HA 0.317 4.488 4.170 0.002 0.000 0.291 81 I C 0.363 176.425 176.117 -0.093 0.000 1.019 81 I CA -0.479 60.760 61.300 -0.102 0.000 1.302 81 I CB 0.879 38.820 38.000 -0.098 0.000 1.401 81 I HN 0.215 nan 8.210 nan 0.000 0.485 82 I N 5.589 126.099 120.570 -0.100 0.000 2.315 82 I HA 0.168 4.339 4.170 0.002 0.000 0.291 82 I C 0.027 176.093 176.117 -0.084 0.000 1.006 82 I CA -0.348 60.894 61.300 -0.097 0.000 1.265 82 I CB 1.036 38.941 38.000 -0.158 0.000 1.387 82 I HN 0.521 nan 8.210 nan 0.000 0.475 83 D N 4.081 124.436 120.400 -0.074 0.000 2.341 83 D HA 0.262 4.903 4.640 0.002 0.000 0.245 83 D C 0.089 176.356 176.300 -0.055 0.000 1.106 83 D CA 0.201 54.159 54.000 -0.069 0.000 0.905 83 D CB 0.922 41.672 40.800 -0.083 0.000 1.202 83 D HN 0.612 nan 8.370 nan 0.000 0.426 84 T N -0.090 114.431 114.554 -0.055 0.000 3.839 84 T HA 0.376 4.727 4.350 0.002 0.000 0.230 84 T C -2.545 172.120 174.700 -0.059 0.000 1.095 84 T CA -1.445 60.621 62.100 -0.056 0.000 1.470 84 T CB 0.369 69.195 68.868 -0.069 0.000 0.881 84 T HN 0.126 nan 8.240 nan 0.000 0.637 85 P HA 0.374 nan 4.420 nan 0.000 0.255 85 P C 0.641 177.887 177.300 -0.090 0.000 1.161 85 P CA 0.774 63.853 63.100 -0.036 0.000 0.768 85 P CB -0.003 31.690 31.700 -0.011 0.000 0.746 86 G N 2.898 111.627 108.800 -0.119 0.000 4.377 86 G HA2 0.015 3.976 3.960 0.002 0.000 0.251 86 G HA3 0.015 3.976 3.960 0.002 0.000 0.251 86 G C 0.705 175.457 174.900 -0.247 0.000 2.912 86 G CA -0.453 44.495 45.100 -0.254 0.000 0.606 86 G HN 0.681 nan 8.290 nan 0.000 0.282 87 H N -1.078 117.947 119.070 -0.074 0.000 2.501 87 H HA -0.077 4.481 4.556 0.002 0.000 0.296 87 H C 0.334 175.588 175.328 -0.123 0.000 1.115 87 H CA 1.217 57.218 56.048 -0.078 0.000 1.242 87 H CB -0.013 29.722 29.762 -0.045 0.000 1.363 87 H HN 0.342 nan 8.280 nan 0.000 0.537 88 V N 2.071 121.803 119.914 -0.303 0.000 2.876 88 V HA 0.096 4.217 4.120 0.002 0.000 0.312 88 V C -0.565 175.275 176.094 -0.423 0.000 1.085 88 V CA -0.722 61.374 62.300 -0.339 0.000 0.945 88 V CB 2.468 34.203 31.823 -0.148 0.000 1.017 88 V HN 0.240 nan 8.190 nan 0.000 0.428 89 D N 3.894 123.913 120.400 -0.635 0.000 2.525 89 D HA 0.152 4.793 4.640 0.002 0.000 0.229 89 D C 0.827 176.904 176.300 -0.371 0.000 1.202 89 D CA 0.312 54.045 54.000 -0.446 0.000 0.828 89 D CB 0.326 40.904 40.800 -0.369 0.000 1.008 89 D HN 0.543 nan 8.370 nan 0.000 0.493 90 F N 1.202 121.061 119.950 -0.153 0.000 2.619 90 F HA -0.040 4.488 4.527 0.002 0.000 0.293 90 F C 2.263 177.959 175.800 -0.173 0.000 1.119 90 F CA 0.114 57.982 58.000 -0.220 0.000 1.445 90 F CB 0.213 38.989 39.000 -0.374 0.000 1.119 90 F HN -0.099 nan 8.300 nan 0.000 0.573 91 T N -0.840 113.738 114.554 0.040 0.000 5.193 91 T HA -0.008 4.343 4.350 0.002 0.000 0.380 91 T C 1.217 175.970 174.700 0.088 0.000 1.047 91 T CA 0.185 62.306 62.100 0.035 0.000 0.901 91 T CB 0.192 69.047 68.868 -0.021 0.000 1.613 91 T HN 0.086 nan 8.240 nan 0.000 0.435 92 I N -0.277 120.343 120.570 0.084 0.000 4.526 92 I HA 0.212 4.383 4.170 0.002 0.000 0.330 92 I C 1.461 177.613 176.117 0.058 0.000 1.323 92 I CA 0.225 61.597 61.300 0.121 0.000 1.218 92 I CB -0.059 38.044 38.000 0.173 0.000 1.233 92 I HN 0.570 nan 8.210 nan 0.000 0.430 93 E N 0.822 121.033 120.200 0.018 0.000 2.516 93 E HA -0.003 4.348 4.350 0.002 0.000 0.199 93 E C 1.416 178.004 176.600 -0.020 0.000 1.069 93 E CA 0.553 56.953 56.400 0.001 0.000 0.876 93 E CB 0.635 30.323 29.700 -0.020 0.000 0.843 93 E HN 0.325 nan 8.360 nan 0.000 0.530 94 V N 1.467 121.371 119.914 -0.017 0.000 3.427 94 V HA -0.025 4.096 4.120 0.002 0.000 0.305 94 V C 1.600 177.630 176.094 -0.108 0.000 1.412 94 V CA 0.277 62.554 62.300 -0.039 0.000 1.086 94 V CB 0.200 32.023 31.823 -0.001 0.000 0.964 94 V HN 0.161 nan 8.190 nan 0.000 0.439 95 E N 0.503 120.639 120.200 -0.107 0.000 2.216 95 E HA -0.033 4.318 4.350 0.002 0.000 0.192 95 E C 1.995 178.434 176.600 -0.268 0.000 0.973 95 E CA 0.198 56.422 56.400 -0.293 0.000 0.851 95 E CB 0.221 29.886 29.700 -0.059 0.000 0.804 95 E HN 0.461 nan 8.360 nan 0.000 0.477 96 R N 1.575 121.999 120.500 -0.128 0.000 2.057 96 R HA -0.075 4.266 4.340 0.002 0.000 0.229 96 R C 2.663 178.884 176.300 -0.130 0.000 1.136 96 R CA 1.618 57.668 56.100 -0.083 0.000 0.952 96 R CB -0.151 30.157 30.300 0.013 0.000 0.848 96 R HN 0.213 nan 8.270 nan 0.000 0.430 97 S N 0.087 115.711 115.700 -0.127 0.000 2.400 97 S HA -0.155 4.316 4.470 0.002 0.000 0.232 97 S C 1.905 176.372 174.600 -0.222 0.000 1.025 97 S CA 1.209 59.307 58.200 -0.171 0.000 0.993 97 S CB -0.124 63.007 63.200 -0.116 0.000 0.808 97 S HN 0.301 nan 8.310 nan 0.000 0.478 98 M N 0.054 119.496 119.600 -0.262 0.000 2.541 98 M HA 0.217 4.698 4.480 0.002 0.000 0.252 98 M C 2.325 178.477 176.300 -0.247 0.000 1.125 98 M CA 0.415 55.549 55.300 -0.277 0.000 1.091 98 M CB -0.300 32.059 32.600 -0.402 0.000 1.420 98 M HN 0.359 nan 8.290 nan 0.000 0.486 99 R N -0.382 119.978 120.500 -0.234 0.000 2.240 99 R HA 0.022 4.363 4.340 0.002 0.000 0.203 99 R C 1.826 178.107 176.300 -0.032 0.000 1.011 99 R CA 0.464 56.488 56.100 -0.127 0.000 1.007 99 R CB 0.412 30.640 30.300 -0.120 0.000 0.911 99 R HN 0.120 nan 8.270 nan 0.000 0.468 100 V N 0.812 120.638 119.914 -0.146 0.000 3.431 100 V HA 0.101 4.223 4.120 0.002 0.000 0.253 100 V C 0.335 176.273 176.094 -0.259 0.000 1.184 100 V CA 0.253 62.404 62.300 -0.249 0.000 1.104 100 V CB 0.317 31.769 31.823 -0.618 0.000 0.799 100 V HN 0.153 nan 8.190 nan 0.000 0.462 101 L N -2.494 118.603 121.223 -0.210 0.000 2.416 101 L HA 0.623 4.964 4.340 0.002 0.000 0.262 101 L C 0.627 177.439 176.870 -0.096 0.000 1.093 101 L CA 0.255 55.000 54.840 -0.158 0.000 0.801 101 L CB 0.328 42.300 42.059 -0.146 0.000 1.191 101 L HN -0.146 nan 8.230 nan 0.000 0.459 102 D N 0.416 120.769 120.400 -0.078 0.000 2.716 102 D HA 0.253 4.894 4.640 0.002 0.000 0.273 102 D C 0.625 176.899 176.300 -0.044 0.000 1.024 102 D CA 0.942 54.914 54.000 -0.046 0.000 0.944 102 D CB 0.698 41.476 40.800 -0.036 0.000 1.186 102 D HN 0.772 nan 8.370 nan 0.000 0.485 103 G N -0.369 108.400 108.800 -0.052 0.000 2.816 103 G HA2 0.690 4.651 3.960 0.002 0.000 0.288 103 G HA3 0.690 4.651 3.960 0.002 0.000 0.288 103 G C -1.474 173.390 174.900 -0.059 0.000 1.334 103 G CA -0.252 44.821 45.100 -0.046 0.000 0.978 103 G HN 0.254 nan 8.290 nan 0.000 0.493 104 A N -0.798 121.990 122.820 -0.052 0.000 2.606 104 A HA 0.742 5.064 4.320 0.002 0.000 0.293 104 A C -1.352 176.212 177.584 -0.034 0.000 1.082 104 A CA -0.573 51.430 52.037 -0.057 0.000 0.685 104 A CB 1.237 20.194 19.000 -0.070 0.000 1.284 104 A HN 0.644 nan 8.150 nan 0.000 0.408 105 I N 1.557 122.101 120.570 -0.043 0.000 2.330 105 I HA 0.361 4.532 4.170 0.002 0.000 0.289 105 I C -0.653 175.451 176.117 -0.023 0.000 1.001 105 I CA -0.803 60.486 61.300 -0.017 0.000 1.193 105 I CB 1.755 39.719 38.000 -0.060 0.000 1.345 105 I HN 0.321 nan 8.210 nan 0.000 0.461 106 V N 7.586 127.499 119.914 -0.001 0.000 2.406 106 V HA 0.248 4.369 4.120 0.002 0.000 0.272 106 V C 0.121 176.083 176.094 -0.220 0.000 1.043 106 V CA -0.562 61.666 62.300 -0.121 0.000 0.915 106 V CB 1.539 33.317 31.823 -0.075 0.000 0.988 106 V HN 0.373 nan 8.190 nan 0.000 0.466 107 V N 6.218 125.969 119.914 -0.272 0.000 2.347 107 V HA 0.466 4.587 4.120 0.002 0.000 0.280 107 V C -0.412 175.461 176.094 -0.369 0.000 1.021 107 V CA -0.437 61.767 62.300 -0.160 0.000 0.847 107 V CB 0.938 32.779 31.823 0.030 0.000 0.990 107 V HN 0.618 nan 8.190 nan 0.000 0.444 108 F N 2.187 122.133 119.950 -0.007 0.000 2.399 108 F HA 0.409 4.937 4.527 0.001 0.000 0.334 108 F C 0.601 176.324 175.800 -0.128 0.000 1.097 108 F CA -0.887 57.075 58.000 -0.064 0.000 1.076 108 F CB 0.913 39.859 39.000 -0.090 0.000 1.162 108 F HN 0.424 nan 8.300 nan 0.000 0.495 109 D N 1.212 121.645 120.400 0.055 0.000 2.383 109 D HA 0.041 4.682 4.640 0.002 0.000 0.252 109 D C 0.833 177.097 176.300 -0.061 0.000 1.166 109 D CA 0.413 54.388 54.000 -0.043 0.000 0.879 109 D CB 1.411 42.168 40.800 -0.072 0.000 1.164 109 D HN 0.461 nan 8.370 nan 0.000 0.462 110 S N 1.655 117.278 115.700 -0.128 0.000 2.453 110 S HA -0.117 4.354 4.470 0.002 0.000 0.231 110 S C 1.888 176.404 174.600 -0.140 0.000 1.005 110 S CA 0.977 59.078 58.200 -0.165 0.000 0.949 110 S CB 0.051 63.105 63.200 -0.243 0.000 0.774 110 S HN 0.646 nan 8.310 nan 0.000 0.510 111 S N 1.262 116.893 115.700 -0.114 0.000 2.423 111 S HA -0.050 4.421 4.470 0.002 0.000 0.231 111 S C 1.562 176.113 174.600 -0.082 0.000 1.014 111 S CA 0.534 58.680 58.200 -0.091 0.000 0.965 111 S CB -0.177 62.978 63.200 -0.076 0.000 0.785 111 S HN 0.460 nan 8.310 nan 0.000 0.495 112 Q N 0.837 120.584 119.800 -0.088 0.000 2.396 112 Q HA 0.339 4.680 4.340 0.002 0.000 0.220 112 Q C 1.745 177.685 176.000 -0.100 0.000 0.900 112 Q CA 0.685 56.438 55.803 -0.084 0.000 0.925 112 Q CB -0.879 27.804 28.738 -0.091 0.000 1.065 112 Q HN 0.533 nan 8.270 nan 0.000 0.535 113 G N 1.622 110.348 108.800 -0.123 0.000 2.622 113 G HA2 -0.346 3.615 3.960 0.002 0.000 0.307 113 G HA3 -0.346 3.615 3.960 0.002 0.000 0.307 113 G C 0.080 174.900 174.900 -0.133 0.000 1.226 113 G CA 0.330 45.308 45.100 -0.203 0.000 0.997 113 G HN 0.216 nan 8.290 nan 0.000 0.551 114 V N 2.146 121.927 119.914 -0.221 0.000 2.555 114 V HA 0.452 4.573 4.120 0.002 0.000 0.286 114 V C 0.640 176.748 176.094 0.023 0.000 1.044 114 V CA 0.564 62.838 62.300 -0.043 0.000 1.026 114 V CB 1.126 32.864 31.823 -0.142 0.000 0.981 114 V HN 0.636 nan 8.190 nan 0.000 0.480 115 E N 6.038 126.302 120.200 0.106 0.000 2.249 115 E HA 0.428 4.779 4.350 0.002 0.000 0.263 115 E C -2.518 174.211 176.600 0.215 0.000 0.950 115 E CA -2.200 54.264 56.400 0.105 0.000 0.827 115 E CB 1.413 31.087 29.700 -0.043 0.000 1.220 115 E HN 0.435 nan 8.360 nan 0.000 0.411 116 P HA -0.226 nan 4.420 nan 0.000 0.263 116 P C -0.073 177.349 177.300 0.204 0.000 1.168 116 P CA 1.098 64.299 63.100 0.170 0.000 0.759 116 P CB 0.649 32.433 31.700 0.140 0.000 0.782 117 Q N 0.467 120.322 119.800 0.093 0.000 7.301 117 Q HA -0.176 4.165 4.340 0.002 0.000 0.342 117 Q C 1.610 177.647 176.000 0.061 0.000 1.170 117 Q CA 1.347 57.120 55.803 -0.051 0.000 0.572 117 Q CB -1.812 26.685 28.738 -0.401 0.000 0.286 117 Q HN 0.390 nan 8.270 nan 0.000 0.907 118 S N 0.332 116.162 115.700 0.216 0.000 2.355 118 S HA -0.162 4.309 4.470 0.002 0.000 0.222 118 S C 1.351 176.116 174.600 0.277 0.000 1.031 118 S CA 1.595 59.952 58.200 0.261 0.000 0.993 118 S CB -0.175 63.273 63.200 0.412 0.000 0.859 118 S HN 0.450 nan 8.310 nan 0.000 0.453 119 E N 0.760 121.093 120.200 0.220 0.000 2.097 119 E HA -0.186 4.165 4.350 0.002 0.000 0.196 119 E C 2.024 178.751 176.600 0.213 0.000 1.000 119 E CA 1.899 58.415 56.400 0.193 0.000 0.804 119 E CB -0.256 29.525 29.700 0.135 0.000 0.740 119 E HN 0.613 nan 8.360 nan 0.000 0.454 120 T N -2.261 112.379 114.554 0.144 0.000 3.067 120 T HA 0.032 4.383 4.350 0.002 0.000 0.257 120 T C 1.788 176.528 174.700 0.067 0.000 1.105 120 T CA 0.735 62.897 62.100 0.102 0.000 1.104 120 T CB 0.215 69.109 68.868 0.044 0.000 0.925 120 T HN 0.086 nan 8.240 nan 0.000 0.498 121 V N 0.033 119.994 119.914 0.078 0.000 2.649 121 V HA 0.141 4.262 4.120 0.002 0.000 0.248 121 V C 1.993 178.148 176.094 0.100 0.000 1.054 121 V CA 0.681 63.009 62.300 0.048 0.000 1.073 121 V CB -0.544 31.285 31.823 0.011 0.000 0.699 121 V HN 0.725 nan 8.190 nan 0.000 0.463 122 W N 0.920 122.241 121.300 0.035 0.000 2.321 122 W HA -0.210 4.451 4.660 0.002 0.000 0.306 122 W C 2.470 179.011 176.519 0.036 0.000 1.217 122 W CA 1.907 59.287 57.345 0.059 0.000 1.257 122 W CB -0.186 29.337 29.460 0.106 0.000 1.145 122 W HN 0.232 nan 8.180 nan 0.000 0.509 123 R N 0.130 120.748 120.500 0.195 0.000 2.096 123 R HA -0.164 4.177 4.340 0.002 0.000 0.235 123 R C 2.083 178.347 176.300 -0.062 0.000 1.127 123 R CA 1.524 57.675 56.100 0.085 0.000 0.968 123 R CB -1.117 29.248 30.300 0.109 0.000 0.861 123 R HN 0.470 nan 8.270 nan 0.000 0.440 124 Q N -0.111 119.649 119.800 -0.066 0.000 2.083 124 Q HA 0.081 4.422 4.340 0.002 0.000 0.198 124 Q C 2.103 178.036 176.000 -0.110 0.000 0.969 124 Q CA 1.272 56.995 55.803 -0.133 0.000 0.838 124 Q CB -0.245 28.511 28.738 0.029 0.000 0.900 124 Q HN 0.275 nan 8.270 nan 0.000 0.436 125 A N 1.859 124.603 122.820 -0.126 0.000 1.940 125 A HA -0.224 4.097 4.320 0.002 0.000 0.219 125 A C 1.988 179.424 177.584 -0.246 0.000 1.176 125 A CA 1.472 53.392 52.037 -0.195 0.000 0.631 125 A CB -0.356 18.425 19.000 -0.365 0.000 0.814 125 A HN 0.324 nan 8.150 nan 0.000 0.446 126 E N -0.579 119.441 120.200 -0.300 0.000 2.046 126 E HA -0.172 4.179 4.350 0.002 0.000 0.190 126 E C 2.146 178.660 176.600 -0.143 0.000 0.982 126 E CA 1.213 57.482 56.400 -0.217 0.000 0.800 126 E CB -0.165 29.450 29.700 -0.141 0.000 0.756 126 E HN 0.698 nan 8.360 nan 0.000 0.449 127 K N 0.572 120.853 120.400 -0.197 0.000 1.973 127 K HA -0.126 4.195 4.320 0.002 0.000 0.212 127 K C 0.243 176.699 176.600 -0.239 0.000 1.047 127 K CA 0.939 57.069 56.287 -0.261 0.000 0.937 127 K CB -0.277 31.967 32.500 -0.427 0.000 0.721 127 K HN -0.090 nan 8.250 nan 0.000 0.440 128 Y N 1.466 121.746 120.300 -0.033 0.000 2.480 128 Y HA 0.090 4.641 4.550 0.001 0.000 0.338 128 Y C 0.083 175.945 175.900 -0.063 0.000 1.220 128 Y CA -0.042 58.032 58.100 -0.042 0.000 1.430 128 Y CB 0.443 38.875 38.460 -0.046 0.000 1.311 128 Y HN -0.022 nan 8.280 nan 0.000 0.575 129 K N 2.161 122.616 120.400 0.091 0.000 2.457 129 K HA 0.394 4.715 4.320 0.002 0.000 0.226 129 K C -1.090 175.501 176.600 -0.014 0.000 1.114 129 K CA -0.429 55.864 56.287 0.009 0.000 1.089 129 K CB 0.705 33.212 32.500 0.011 0.000 1.739 129 K HN 0.462 nan 8.250 nan 0.000 0.473 130 V N 0.918 120.805 119.914 -0.044 0.000 2.370 130 V HA 0.487 4.608 4.120 0.002 0.000 0.283 130 V C -2.693 173.346 176.094 -0.092 0.000 1.023 130 V CA -2.763 59.504 62.300 -0.055 0.000 0.857 130 V CB 1.149 32.945 31.823 -0.045 0.000 0.985 130 V HN 0.292 nan 8.190 nan 0.000 0.443 131 P HA 0.259 nan 4.420 nan 0.000 0.267 131 P C -0.940 176.329 177.300 -0.050 0.000 1.200 131 P CA 0.190 63.262 63.100 -0.047 0.000 0.772 131 P CB 0.231 31.922 31.700 -0.014 0.000 0.855 132 R N 2.341 122.822 120.500 -0.032 0.000 2.680 132 R HA 0.717 5.058 4.340 0.002 0.000 0.269 132 R C -1.017 175.341 176.300 0.098 0.000 1.026 132 R CA -1.001 55.098 56.100 -0.001 0.000 0.889 132 R CB 1.109 31.358 30.300 -0.084 0.000 1.241 132 R HN 0.446 nan 8.270 nan 0.000 0.463 133 I N -1.461 119.197 120.570 0.146 0.000 2.797 133 I HA 0.883 5.054 4.170 0.002 0.000 0.307 133 I C -0.646 175.641 176.117 0.284 0.000 1.033 133 I CA -1.228 60.221 61.300 0.249 0.000 1.071 133 I CB 2.387 40.583 38.000 0.326 0.000 1.255 133 I HN 0.791 nan 8.210 nan 0.000 0.445 134 A N 3.569 126.605 122.820 0.360 0.000 2.337 134 A HA 0.752 5.073 4.320 0.002 0.000 0.329 134 A C -1.385 176.469 177.584 0.450 0.000 1.146 134 A CA -0.359 51.909 52.037 0.385 0.000 0.800 134 A CB 1.032 20.311 19.000 0.465 0.000 1.220 134 A HN 0.658 nan 8.150 nan 0.000 0.472 135 F N 2.840 122.892 119.950 0.170 0.000 2.434 135 F HA 0.585 5.113 4.527 0.002 0.000 0.355 135 F C 0.370 176.240 175.800 0.118 0.000 1.115 135 F CA -1.292 56.788 58.000 0.134 0.000 1.010 135 F CB 1.220 40.248 39.000 0.046 0.000 1.234 135 F HN 0.661 nan 8.300 nan 0.000 0.439 136 A N 6.577 129.249 122.820 -0.246 0.000 2.666 136 A HA 0.176 4.497 4.320 0.002 0.000 0.301 136 A C 0.316 177.445 177.584 -0.757 0.000 1.470 136 A CA -0.234 51.592 52.037 -0.352 0.000 1.159 136 A CB -0.706 18.124 19.000 -0.282 0.000 1.116 136 A HN 0.890 nan 8.150 nan 0.000 0.548 137 N N 1.390 119.652 118.700 -0.729 0.000 2.413 137 N HA 0.187 4.928 4.740 0.002 0.000 0.266 137 N C -0.283 174.995 175.510 -0.387 0.000 1.238 137 N CA -0.443 52.187 53.050 -0.701 0.000 0.972 137 N CB 0.231 38.503 38.487 -0.357 0.000 1.210 137 N HN 0.537 nan 8.380 nan 0.000 0.547 138 K N 0.478 120.714 120.400 -0.273 0.000 3.167 138 K HA -0.141 4.180 4.320 0.002 0.000 0.272 138 K C 0.674 177.113 176.600 -0.270 0.000 1.137 138 K CA 0.222 56.391 56.287 -0.197 0.000 0.800 138 K CB -1.155 31.260 32.500 -0.142 0.000 1.253 138 K HN 0.671 nan 8.250 nan 0.000 0.497 139 M N 0.516 119.859 119.600 -0.429 0.000 2.374 139 M HA -0.115 4.366 4.480 0.002 0.000 0.264 139 M C 1.859 177.875 176.300 -0.474 0.000 1.067 139 M CA 1.720 56.627 55.300 -0.655 0.000 1.103 139 M CB -0.502 31.297 32.600 -1.335 0.000 1.402 139 M HN 0.340 nan 8.290 nan 0.000 0.444 140 D N -0.195 120.080 120.400 -0.208 0.000 2.277 140 D HA -0.095 4.546 4.640 0.002 0.000 0.208 140 D C 0.911 177.201 176.300 -0.017 0.000 0.962 140 D CA 0.439 54.449 54.000 0.017 0.000 0.865 140 D CB 0.073 40.929 40.800 0.094 0.000 0.939 140 D HN 0.262 nan 8.370 nan 0.000 0.510 141 K N 0.712 121.072 120.400 -0.066 0.000 2.138 141 K HA 0.100 4.421 4.320 0.002 0.000 0.251 141 K C -0.107 176.464 176.600 -0.049 0.000 1.015 141 K CA -0.294 55.963 56.287 -0.050 0.000 0.917 141 K CB 0.990 33.451 32.500 -0.066 0.000 1.021 141 K HN -0.045 nan 8.250 nan 0.000 0.485 142 T N 0.197 114.732 114.554 -0.033 0.000 2.743 142 T HA 0.439 4.790 4.350 0.002 0.000 0.293 142 T C 0.742 175.422 174.700 -0.034 0.000 0.945 142 T CA 0.556 62.642 62.100 -0.025 0.000 1.030 142 T CB 0.492 69.353 68.868 -0.011 0.000 0.912 142 T HN 0.797 nan 8.240 nan 0.000 0.483 143 G N 3.443 112.222 108.800 -0.036 0.000 2.391 143 G HA2 0.006 3.967 3.960 0.002 0.000 0.204 143 G HA3 0.006 3.967 3.960 0.002 0.000 0.204 143 G C 0.526 175.388 174.900 -0.063 0.000 1.012 143 G CA -0.170 44.904 45.100 -0.042 0.000 0.651 143 G HN 1.539 nan 8.290 nan 0.000 0.494 144 A N 0.396 123.161 122.820 -0.091 0.000 2.598 144 A HA 0.417 4.738 4.320 0.002 0.000 0.239 144 A C 0.133 177.638 177.584 -0.132 0.000 1.032 144 A CA 1.831 53.783 52.037 -0.142 0.000 0.760 144 A CB 0.088 18.970 19.000 -0.197 0.000 0.946 144 A HN 0.990 nan 8.150 nan 0.000 0.512 145 D N 2.131 122.433 120.400 -0.164 0.000 2.470 145 D HA 0.193 4.834 4.640 0.002 0.000 0.233 145 D C 0.702 176.835 176.300 -0.278 0.000 1.372 145 D CA -0.590 53.320 54.000 -0.149 0.000 0.994 145 D CB 0.494 41.268 40.800 -0.042 0.000 1.377 145 D HN 0.332 nan 8.370 nan 0.000 0.586 146 L N 2.918 123.846 121.223 -0.492 0.000 1.997 146 L HA -0.173 4.169 4.340 0.002 0.000 0.216 146 L C 1.264 177.777 176.870 -0.596 0.000 1.074 146 L CA 1.776 56.179 54.840 -0.729 0.000 0.763 146 L CB -0.065 41.225 42.059 -1.282 0.000 0.890 146 L HN 0.592 nan 8.230 nan 0.000 0.434 147 W N -1.058 120.171 121.300 -0.119 0.000 2.425 147 W HA -0.171 4.490 4.660 0.001 0.000 0.277 147 W C 2.197 178.646 176.519 -0.116 0.000 1.231 147 W CA -0.181 57.101 57.345 -0.105 0.000 1.248 147 W CB -0.390 29.030 29.460 -0.067 0.000 1.117 147 W HN 0.136 nan 8.180 nan 0.000 0.568 148 L N 0.257 121.504 121.223 0.039 0.000 2.141 148 L HA -0.145 4.196 4.340 0.002 0.000 0.209 148 L C 2.173 178.962 176.870 -0.136 0.000 1.094 148 L CA 1.544 56.365 54.840 -0.033 0.000 0.763 148 L CB -0.875 41.154 42.059 -0.050 0.000 0.908 148 L HN -0.140 nan 8.230 nan 0.000 0.437 149 V N -0.320 119.464 119.914 -0.216 0.000 2.255 149 V HA -0.332 3.789 4.120 0.002 0.000 0.247 149 V C 2.412 178.297 176.094 -0.348 0.000 1.051 149 V CA 2.385 64.467 62.300 -0.364 0.000 1.018 149 V CB -0.526 31.068 31.823 -0.383 0.000 0.641 149 V HN 0.384 nan 8.190 nan 0.000 0.445 150 I N -0.806 119.635 120.570 -0.215 0.000 2.202 150 I HA -0.187 3.984 4.170 0.002 0.000 0.242 150 I C 2.788 178.847 176.117 -0.097 0.000 1.091 150 I CA 1.467 62.684 61.300 -0.139 0.000 1.368 150 I CB -0.346 37.647 38.000 -0.012 0.000 1.058 150 I HN 0.144 nan 8.210 nan 0.000 0.410 151 R N -0.505 119.972 120.500 -0.037 0.000 2.096 151 R HA -0.151 4.190 4.340 0.002 0.000 0.235 151 R C 2.238 178.481 176.300 -0.094 0.000 1.127 151 R CA 1.743 57.824 56.100 -0.031 0.000 0.968 151 R CB -0.431 29.872 30.300 0.006 0.000 0.861 151 R HN 0.248 nan 8.270 nan 0.000 0.440 152 T N -0.178 114.287 114.554 -0.148 0.000 3.113 152 T HA 0.065 4.416 4.350 0.002 0.000 0.256 152 T C 1.576 176.114 174.700 -0.269 0.000 1.131 152 T CA 0.455 62.447 62.100 -0.181 0.000 1.074 152 T CB 0.108 68.870 68.868 -0.177 0.000 0.944 152 T HN 0.102 nan 8.240 nan 0.000 0.516 153 M N -0.045 119.355 119.600 -0.333 0.000 2.287 153 M HA 0.056 4.537 4.480 0.002 0.000 0.266 153 M C 2.392 178.519 176.300 -0.288 0.000 1.079 153 M CA 1.182 56.231 55.300 -0.419 0.000 1.146 153 M CB 0.022 32.347 32.600 -0.459 0.000 1.374 153 M HN 0.246 nan 8.290 nan 0.000 0.435 154 Q N -0.054 119.641 119.800 -0.175 0.000 1.990 154 Q HA -0.157 4.184 4.340 0.002 0.000 0.200 154 Q C 2.017 177.965 176.000 -0.088 0.000 0.980 154 Q CA 1.114 56.857 55.803 -0.100 0.000 0.832 154 Q CB -0.063 28.643 28.738 -0.052 0.000 0.897 154 Q HN 0.384 nan 8.270 nan 0.000 0.427 155 E N 0.610 120.759 120.200 -0.085 0.000 2.017 155 E HA -0.142 4.209 4.350 0.002 0.000 0.193 155 E C 1.968 178.534 176.600 -0.057 0.000 0.997 155 E CA 1.201 57.565 56.400 -0.059 0.000 0.804 155 E CB -0.033 29.636 29.700 -0.053 0.000 0.757 155 E HN 0.270 nan 8.360 nan 0.000 0.448 156 R N -0.242 120.207 120.500 -0.085 0.000 2.265 156 R HA 0.208 4.549 4.340 0.002 0.000 0.194 156 R C 2.095 178.348 176.300 -0.079 0.000 0.931 156 R CA 0.197 56.262 56.100 -0.058 0.000 1.032 156 R CB 0.466 30.733 30.300 -0.055 0.000 0.980 156 R HN 0.162 nan 8.270 nan 0.000 0.497 157 L N -1.179 119.938 121.223 -0.176 0.000 2.749 157 L HA 0.312 4.653 4.340 0.002 0.000 0.242 157 L C 0.758 177.558 176.870 -0.116 0.000 1.103 157 L CA 0.197 54.878 54.840 -0.265 0.000 0.906 157 L CB 0.451 42.032 42.059 -0.797 0.000 1.228 157 L HN 0.229 nan 8.230 nan 0.000 0.517 158 G N 1.514 110.269 108.800 -0.075 0.000 2.333 158 G HA2 -0.269 3.692 3.960 0.002 0.000 0.296 158 G HA3 -0.269 3.692 3.960 0.002 0.000 0.296 158 G C 0.768 175.716 174.900 0.080 0.000 1.059 158 G CA 0.533 45.644 45.100 0.019 0.000 1.050 158 G HN 0.460 nan 8.290 nan 0.000 0.508 159 A N -0.059 122.761 122.820 0.000 0.000 2.063 159 A HA 0.615 4.936 4.320 0.002 0.000 0.211 159 A C 1.661 179.343 177.584 0.164 0.000 1.177 159 A CA 1.450 53.553 52.037 0.110 0.000 0.759 159 A CB 0.074 18.926 19.000 -0.247 0.000 0.857 159 A HN 1.737 nan 8.150 nan 0.000 0.468 160 R N -0.748 119.801 120.500 0.082 0.000 3.152 160 R HA -0.105 4.236 4.340 0.002 0.000 0.252 160 R C -2.623 173.730 176.300 0.089 0.000 0.930 160 R CA 0.542 56.697 56.100 0.090 0.000 0.642 160 R CB -1.599 28.775 30.300 0.124 0.000 1.205 160 R HN 0.344 nan 8.270 nan 0.000 0.452 161 P HA 0.110 nan 4.420 nan 0.000 0.271 161 P C -0.471 176.852 177.300 0.038 0.000 1.218 161 P CA -0.145 62.972 63.100 0.028 0.000 0.780 161 P CB 1.435 33.116 31.700 -0.031 0.000 0.901 162 V N 3.307 123.226 119.914 0.009 0.000 2.604 162 V HA 0.310 4.431 4.120 0.002 0.000 0.305 162 V C -0.553 175.504 176.094 -0.061 0.000 1.043 162 V CA -0.954 61.355 62.300 0.015 0.000 0.888 162 V CB 2.154 33.996 31.823 0.032 0.000 0.995 162 V HN 0.191 nan 8.190 nan 0.000 0.429 163 V N 8.853 128.770 119.914 0.005 0.000 2.397 163 V HA 0.138 4.259 4.120 0.002 0.000 0.262 163 V C 1.183 177.222 176.094 -0.091 0.000 1.047 163 V CA 0.096 62.351 62.300 -0.075 0.000 1.003 163 V CB 0.869 32.674 31.823 -0.031 0.000 1.037 163 V HN 0.932 nan 8.190 nan 0.000 0.480 164 M N 3.474 122.917 119.600 -0.261 0.000 2.465 164 M HA 0.276 4.757 4.480 0.002 0.000 0.249 164 M C 0.436 176.675 176.300 -0.102 0.000 1.130 164 M CA 0.696 55.840 55.300 -0.261 0.000 1.067 164 M CB -0.083 32.069 32.600 -0.746 0.000 1.394 164 M HN 0.619 nan 8.290 nan 0.000 0.483 165 Q N 0.232 119.965 119.800 -0.113 0.000 2.386 165 Q HA 0.544 4.885 4.340 0.002 0.000 0.274 165 Q C -1.698 174.256 176.000 -0.077 0.000 1.011 165 Q CA -0.692 55.104 55.803 -0.011 0.000 0.867 165 Q CB 3.069 31.849 28.738 0.071 0.000 1.409 165 Q HN -0.025 nan 8.270 nan 0.000 0.395 166 L N 2.455 123.669 121.223 -0.016 0.000 2.342 166 L HA 0.651 4.992 4.340 0.002 0.000 0.271 166 L C -2.394 174.483 176.870 0.011 0.000 1.008 166 L CA -2.197 52.622 54.840 -0.035 0.000 0.818 166 L CB 1.321 43.415 42.059 0.058 0.000 1.296 166 L HN 0.458 nan 8.230 nan 0.000 0.427 167 P HA 0.345 nan 4.420 nan 0.000 0.285 167 P C -0.656 176.669 177.300 0.042 0.000 1.259 167 P CA -0.299 62.895 63.100 0.155 0.000 0.794 167 P CB 1.150 32.920 31.700 0.117 0.000 0.940 168 I N 2.606 123.159 120.570 -0.028 0.000 2.306 168 I HA 0.523 4.694 4.170 0.002 0.000 0.288 168 I C 0.915 177.084 176.117 0.087 0.000 1.036 168 I CA 0.414 61.570 61.300 -0.239 0.000 1.221 168 I CB 0.277 38.066 38.000 -0.351 0.000 1.385 168 I HN 0.659 nan 8.210 nan 0.000 0.472 169 G N 5.413 114.368 108.800 0.259 0.000 2.663 169 G HA2 -0.121 3.840 3.960 0.002 0.000 0.686 169 G HA3 -0.121 3.840 3.960 0.002 0.000 0.686 169 G C -1.114 173.953 174.900 0.278 0.000 1.288 169 G CA -0.919 44.336 45.100 0.258 0.000 0.836 169 G HN 0.668 nan 8.290 nan 0.000 0.584 170 R N 0.465 121.090 120.500 0.209 0.000 2.621 170 R HA 0.537 4.878 4.340 0.002 0.000 0.292 170 R C 1.256 177.631 176.300 0.124 0.000 0.969 170 R CA 0.363 56.551 56.100 0.146 0.000 0.887 170 R CB 1.128 31.497 30.300 0.115 0.000 1.180 170 R HN 0.953 nan 8.270 nan 0.000 0.450 171 E N 0.991 121.231 120.200 0.068 0.000 3.567 171 E HA -0.402 3.949 4.350 0.002 0.000 0.471 171 E C 0.688 177.347 176.600 0.099 0.000 1.627 171 E CA 2.514 58.941 56.400 0.045 0.000 1.218 171 E CB -0.778 28.935 29.700 0.022 0.000 1.214 171 E HN 0.882 nan 8.360 nan 0.000 0.385 172 D N 0.005 120.452 120.400 0.080 0.000 2.234 172 D HA -0.079 4.562 4.640 0.002 0.000 0.205 172 D C 1.688 178.043 176.300 0.091 0.000 0.962 172 D CA 1.885 55.931 54.000 0.077 0.000 0.855 172 D CB -0.398 40.433 40.800 0.051 0.000 0.951 172 D HN 0.496 nan 8.370 nan 0.000 0.500 173 T N -2.229 112.388 114.554 0.105 0.000 3.107 173 T HA 0.077 4.428 4.350 0.002 0.000 0.249 173 T C 0.583 175.360 174.700 0.129 0.000 1.096 173 T CA -0.786 61.374 62.100 0.100 0.000 1.012 173 T CB -0.904 68.019 68.868 0.092 0.000 0.977 173 T HN 0.030 nan 8.240 nan 0.000 0.527 174 F N 4.159 124.125 119.950 0.026 0.000 2.549 174 F HA 0.258 4.786 4.527 0.002 0.000 0.400 174 F C 1.058 176.873 175.800 0.026 0.000 1.011 174 F CA -0.078 57.931 58.000 0.015 0.000 1.148 174 F CB 0.418 39.407 39.000 -0.018 0.000 0.993 174 F HN 0.243 nan 8.300 nan 0.000 0.540 175 S N 2.870 118.269 115.700 -0.501 0.000 2.733 175 S HA 0.503 4.974 4.470 0.002 0.000 0.270 175 S C 0.250 174.722 174.600 -0.214 0.000 1.062 175 S CA 0.088 58.097 58.200 -0.318 0.000 1.256 175 S CB -0.067 63.083 63.200 -0.084 0.000 1.187 175 S HN 1.034 nan 8.310 nan 0.000 0.666 176 G N 0.619 109.215 108.800 -0.340 0.000 2.692 176 G HA2 0.710 4.671 3.960 0.002 0.000 0.291 176 G HA3 0.710 4.671 3.960 0.002 0.000 0.291 176 G C -1.930 172.971 174.900 0.002 0.000 1.423 176 G CA -0.789 44.288 45.100 -0.038 0.000 0.843 176 G HN 0.294 nan 8.290 nan 0.000 0.486 177 I N 0.268 120.956 120.570 0.197 0.000 2.569 177 I HA 0.397 4.568 4.170 0.002 0.000 0.290 177 I C -0.848 175.391 176.117 0.204 0.000 1.088 177 I CA -0.699 60.743 61.300 0.236 0.000 1.047 177 I CB 2.569 40.779 38.000 0.350 0.000 1.237 177 I HN 0.230 nan 8.210 nan 0.000 0.421 178 I N 4.496 125.132 120.570 0.111 0.000 2.321 178 I HA 0.175 4.346 4.170 0.002 0.000 0.291 178 I C -0.181 176.018 176.117 0.137 0.000 0.998 178 I CA -0.348 60.996 61.300 0.073 0.000 1.227 178 I CB 1.116 39.118 38.000 0.004 0.000 1.368 178 I HN 0.479 nan 8.210 nan 0.000 0.466 179 D N 6.467 126.973 120.400 0.177 0.000 2.359 179 D HA 0.026 4.667 4.640 0.002 0.000 0.250 179 D C 1.045 177.400 176.300 0.092 0.000 1.264 179 D CA -0.139 53.975 54.000 0.190 0.000 0.911 179 D CB 1.401 42.366 40.800 0.275 0.000 1.056 179 D HN 0.405 nan 8.370 nan 0.000 0.499 180 V N 3.862 123.828 119.914 0.087 0.000 3.041 180 V HA -0.090 4.031 4.120 0.002 0.000 0.260 180 V C 1.816 177.891 176.094 -0.031 0.000 1.105 180 V CA 0.523 62.858 62.300 0.059 0.000 1.125 180 V CB -0.374 31.549 31.823 0.166 0.000 0.730 180 V HN 0.471 nan 8.190 nan 0.000 0.479 181 L N 1.372 122.627 121.223 0.053 0.000 2.046 181 L HA 0.021 4.362 4.340 0.002 0.000 0.208 181 L C 2.514 179.334 176.870 -0.083 0.000 1.077 181 L CA 2.070 56.957 54.840 0.077 0.000 0.747 181 L CB -0.938 41.236 42.059 0.193 0.000 0.896 181 L HN 0.378 nan 8.230 nan 0.000 0.432 182 R N -1.533 118.935 120.500 -0.053 0.000 2.397 182 R HA 0.176 4.517 4.340 0.002 0.000 0.241 182 R C 0.191 176.424 176.300 -0.111 0.000 0.914 182 R CA -0.268 55.805 56.100 -0.044 0.000 1.071 182 R CB 0.298 30.629 30.300 0.051 0.000 1.116 182 R HN 0.165 nan 8.270 nan 0.000 0.524 183 M N 1.853 121.346 119.600 -0.178 0.000 2.212 183 M HA -0.233 4.248 4.480 0.002 0.000 0.193 183 M C -0.961 175.291 176.300 -0.080 0.000 0.493 183 M CA 1.504 56.729 55.300 -0.125 0.000 0.427 183 M CB -1.941 30.580 32.600 -0.132 0.000 1.120 183 M HN 0.132 nan 8.290 nan 0.000 0.929 184 K N -0.298 120.052 120.400 -0.084 0.000 2.378 184 K HA 0.955 5.276 4.320 0.002 0.000 0.244 184 K C -0.158 176.288 176.600 -0.257 0.000 1.039 184 K CA -0.687 55.493 56.287 -0.178 0.000 0.863 184 K CB 2.387 34.761 32.500 -0.210 0.000 1.326 184 K HN 0.258 nan 8.250 nan 0.000 0.460 185 A N 0.849 123.382 122.820 -0.478 0.000 2.539 185 A HA 0.721 5.042 4.320 0.002 0.000 0.296 185 A C -1.925 175.180 177.584 -0.797 0.000 1.073 185 A CA -0.689 51.090 52.037 -0.431 0.000 0.700 185 A CB 0.953 19.823 19.000 -0.217 0.000 1.296 185 A HN 0.616 nan 8.150 nan 0.000 0.405 186 Y N -0.252 120.003 120.300 -0.074 0.000 2.425 186 Y HA 0.681 5.232 4.550 0.002 0.000 0.344 186 Y C 0.598 176.346 175.900 -0.254 0.000 0.969 186 Y CA -0.423 57.562 58.100 -0.190 0.000 1.052 186 Y CB 2.607 40.932 38.460 -0.224 0.000 1.215 186 Y HN 0.684 nan 8.280 nan 0.000 0.451 187 T N 1.799 116.222 114.554 -0.218 0.000 2.912 187 T HA 0.597 4.948 4.350 0.002 0.000 0.288 187 T C -1.708 172.737 174.700 -0.424 0.000 1.030 187 T CA -0.554 61.427 62.100 -0.199 0.000 1.020 187 T CB 0.531 69.346 68.868 -0.087 0.000 1.056 187 T HN 0.448 nan 8.240 nan 0.000 0.480 188 Y N 2.094 122.375 120.300 -0.031 0.000 2.345 188 Y HA 0.426 4.977 4.550 0.002 0.000 0.331 188 Y C 1.432 177.326 175.900 -0.009 0.000 0.959 188 Y CA -0.780 57.311 58.100 -0.014 0.000 1.204 188 Y CB 1.580 40.013 38.460 -0.044 0.000 1.135 188 Y HN 0.858 nan 8.280 nan 0.000 0.477 189 G N 2.990 111.841 108.800 0.085 0.000 2.469 189 G HA2 -0.222 3.739 3.960 0.002 0.000 0.220 189 G HA3 -0.222 3.739 3.960 0.002 0.000 0.220 189 G C 0.449 175.399 174.900 0.082 0.000 1.136 189 G CA 1.085 46.225 45.100 0.066 0.000 0.759 189 G HN 0.717 nan 8.290 nan 0.000 0.562 190 N N -1.751 117.018 118.700 0.114 0.000 3.387 190 N HA 0.226 4.967 4.740 0.002 0.000 0.322 190 N C -1.320 174.244 175.510 0.090 0.000 1.588 190 N CA -0.580 52.521 53.050 0.086 0.000 0.778 190 N CB 0.717 39.246 38.487 0.070 0.000 1.883 190 N HN -0.201 nan 8.380 nan 0.000 0.628 191 D N -0.337 120.098 120.400 0.059 0.000 2.463 191 D HA 0.337 4.978 4.640 0.002 0.000 0.224 191 D C 0.629 176.949 176.300 0.034 0.000 1.174 191 D CA 0.023 54.049 54.000 0.043 0.000 0.829 191 D CB 0.192 41.008 40.800 0.026 0.000 0.993 191 D HN 0.359 nan 8.370 nan 0.000 0.497 192 L N -1.160 120.093 121.223 0.051 0.000 2.701 192 L HA 0.338 4.679 4.340 0.002 0.000 0.238 192 L C 1.262 178.155 176.870 0.038 0.000 1.106 192 L CA 0.052 54.898 54.840 0.010 0.000 0.898 192 L CB 0.507 42.571 42.059 0.007 0.000 1.188 192 L HN 0.129 nan 8.230 nan 0.000 0.508 193 G N 0.106 109.010 108.800 0.173 0.000 2.165 193 G HA2 -0.234 3.727 3.960 0.002 0.000 0.226 193 G HA3 -0.234 3.727 3.960 0.002 0.000 0.226 193 G C 0.521 175.644 174.900 0.372 0.000 1.035 193 G CA 0.450 45.770 45.100 0.367 0.000 0.744 193 G HN 0.184 nan 8.290 nan 0.000 0.501 194 T N -0.942 113.762 114.554 0.250 0.000 3.130 194 T HA 0.285 4.636 4.350 0.002 0.000 0.288 194 T C -0.410 174.378 174.700 0.146 0.000 0.936 194 T CA 0.746 62.961 62.100 0.192 0.000 0.897 194 T CB 0.287 69.235 68.868 0.134 0.000 1.178 194 T HN 0.390 nan 8.240 nan 0.000 0.543 195 D N 1.560 122.049 120.400 0.148 0.000 2.328 195 D HA 0.279 4.920 4.640 0.002 0.000 0.243 195 D C -1.305 175.024 176.300 0.048 0.000 1.324 195 D CA -0.295 53.759 54.000 0.089 0.000 0.966 195 D CB 0.480 41.324 40.800 0.073 0.000 1.324 195 D HN 0.334 nan 8.370 nan 0.000 0.549 196 I N 2.246 122.815 120.570 -0.002 0.000 2.509 196 I HA 0.582 4.753 4.170 0.002 0.000 0.293 196 I C -1.158 174.901 176.117 -0.097 0.000 1.020 196 I CA -0.611 60.592 61.300 -0.162 0.000 1.088 196 I CB 1.033 38.951 38.000 -0.136 0.000 1.267 196 I HN 0.151 nan 8.210 nan 0.000 0.430 197 R N 5.438 125.859 120.500 -0.132 0.000 2.574 197 R HA 0.311 4.652 4.340 0.002 0.000 0.288 197 R C -1.286 174.988 176.300 -0.043 0.000 1.004 197 R CA -0.840 55.229 56.100 -0.052 0.000 0.895 197 R CB 2.053 32.314 30.300 -0.066 0.000 1.191 197 R HN 0.574 nan 8.270 nan 0.000 0.444 198 E N 4.564 124.745 120.200 -0.031 0.000 2.070 198 E HA 0.165 4.516 4.350 0.002 0.000 0.282 198 E C -0.230 176.256 176.600 -0.191 0.000 1.104 198 E CA -0.344 55.936 56.400 -0.201 0.000 0.876 198 E CB 0.481 30.133 29.700 -0.079 0.000 1.055 198 E HN 0.440 nan 8.360 nan 0.000 0.401 199 I N 1.523 121.946 120.570 -0.244 0.000 2.607 199 I HA 0.630 4.801 4.170 0.002 0.000 0.305 199 I C -2.421 173.599 176.117 -0.161 0.000 0.995 199 I CA -3.152 58.054 61.300 -0.156 0.000 1.148 199 I CB 1.450 39.380 38.000 -0.117 0.000 1.323 199 I HN 0.262 nan 8.210 nan 0.000 0.461 200 P HA 0.190 nan 4.420 nan 0.000 0.268 200 P C -0.435 176.829 177.300 -0.060 0.000 1.208 200 P CA 0.083 63.140 63.100 -0.073 0.000 0.777 200 P CB 0.461 32.138 31.700 -0.039 0.000 0.875 201 I N 4.150 124.696 120.570 -0.040 0.000 2.598 201 I HA 0.039 4.210 4.170 0.002 0.000 0.284 201 I C -1.655 174.489 176.117 0.045 0.000 1.140 201 I CA -1.477 59.818 61.300 -0.008 0.000 1.420 201 I CB -0.366 37.648 38.000 0.023 0.000 1.387 201 I HN 0.243 nan 8.210 nan 0.000 0.553 202 P HA -0.092 nan 4.420 nan 0.000 0.261 202 P C 0.577 177.972 177.300 0.157 0.000 1.173 202 P CA 0.141 63.319 63.100 0.130 0.000 0.760 202 P CB 0.572 32.403 31.700 0.218 0.000 0.783 203 E N 4.198 124.456 120.200 0.096 0.000 2.147 203 E HA -0.285 4.066 4.350 0.002 0.000 0.199 203 E C 1.369 178.009 176.600 0.065 0.000 1.005 203 E CA 1.927 58.369 56.400 0.069 0.000 0.810 203 E CB -0.404 29.320 29.700 0.041 0.000 0.736 203 E HN 0.607 nan 8.360 nan 0.000 0.460 204 E N -1.221 119.012 120.200 0.054 0.000 2.516 204 E HA -0.181 4.170 4.350 0.002 0.000 0.199 204 E C 0.442 176.932 176.600 -0.183 0.000 1.069 204 E CA 0.648 57.011 56.400 -0.061 0.000 0.876 204 E CB -0.183 29.452 29.700 -0.108 0.000 0.843 204 E HN 0.500 nan 8.360 nan 0.000 0.530 205 Y N -0.674 119.658 120.300 0.053 0.000 2.563 205 Y HA 0.178 4.729 4.550 0.002 0.000 0.250 205 Y C 1.540 177.486 175.900 0.076 0.000 1.126 205 Y CA -0.400 57.744 58.100 0.073 0.000 1.231 205 Y CB 0.637 39.142 38.460 0.075 0.000 1.288 205 Y HN 0.022 nan 8.280 nan 0.000 0.537 206 L N 0.324 121.656 121.223 0.182 0.000 2.027 206 L HA -0.164 4.177 4.340 0.002 0.000 0.206 206 L C 1.712 178.655 176.870 0.121 0.000 1.074 206 L CA 2.027 56.948 54.840 0.134 0.000 0.745 206 L CB -0.311 41.801 42.059 0.088 0.000 0.898 206 L HN 0.091 nan 8.230 nan 0.000 0.433 207 D N -1.181 119.275 120.400 0.093 0.000 2.144 207 D HA -0.214 4.427 4.640 0.002 0.000 0.200 207 D C 2.018 178.384 176.300 0.109 0.000 0.978 207 D CA 0.913 54.958 54.000 0.076 0.000 0.833 207 D CB 0.014 40.837 40.800 0.038 0.000 0.961 207 D HN 0.490 nan 8.370 nan 0.000 0.470 208 Q N 0.295 120.189 119.800 0.157 0.000 2.124 208 Q HA -0.128 4.213 4.340 0.002 0.000 0.202 208 Q C 1.983 178.191 176.000 0.347 0.000 0.977 208 Q CA 1.346 57.303 55.803 0.257 0.000 0.850 208 Q CB 0.052 28.969 28.738 0.299 0.000 0.901 208 Q HN 0.181 nan 8.270 nan 0.000 0.429 209 A N 0.971 123.958 122.820 0.278 0.000 1.873 209 A HA -0.156 4.165 4.320 0.002 0.000 0.215 209 A C 2.037 179.771 177.584 0.249 0.000 1.186 209 A CA 1.190 53.382 52.037 0.258 0.000 0.616 209 A CB -0.404 18.704 19.000 0.180 0.000 0.823 209 A HN 0.302 nan 8.150 nan 0.000 0.442 210 R N -0.627 119.986 120.500 0.187 0.000 2.096 210 R HA -0.138 4.203 4.340 0.002 0.000 0.235 210 R C 2.241 178.609 176.300 0.113 0.000 1.127 210 R CA 1.355 57.551 56.100 0.160 0.000 0.968 210 R CB -0.345 30.014 30.300 0.100 0.000 0.861 210 R HN 0.780 nan 8.270 nan 0.000 0.440 211 E N 0.098 120.342 120.200 0.073 0.000 2.058 211 E HA -0.224 4.127 4.350 0.002 0.000 0.194 211 E C 1.307 177.837 176.600 -0.116 0.000 0.997 211 E CA 1.494 57.852 56.400 -0.069 0.000 0.801 211 E CB -0.026 29.579 29.700 -0.159 0.000 0.746 211 E HN 0.360 nan 8.360 nan 0.000 0.450 212 Y N -1.282 119.096 120.300 0.131 0.000 2.517 212 Y HA -0.054 4.497 4.550 0.002 0.000 0.281 212 Y C 2.169 178.180 175.900 0.185 0.000 1.125 212 Y CA 1.015 59.205 58.100 0.150 0.000 1.283 212 Y CB -0.086 38.480 38.460 0.177 0.000 1.042 212 Y HN 0.260 nan 8.280 nan 0.000 0.547 213 H N 0.952 120.133 119.070 0.185 0.000 2.326 213 H HA -0.144 4.413 4.556 0.002 0.000 0.301 213 H C 2.026 177.413 175.328 0.097 0.000 1.081 213 H CA 2.046 58.172 56.048 0.131 0.000 1.334 213 H CB -0.053 29.771 29.762 0.103 0.000 1.385 213 H HN 0.447 nan 8.280 nan 0.000 0.504 214 E N 0.574 120.759 120.200 -0.024 0.000 2.204 214 E HA -0.104 4.247 4.350 0.002 0.000 0.194 214 E C 1.974 178.585 176.600 0.018 0.000 0.989 214 E CA 1.127 57.462 56.400 -0.108 0.000 0.824 214 E CB -0.082 29.544 29.700 -0.124 0.000 0.756 214 E HN 0.302 nan 8.360 nan 0.000 0.477 215 K N 0.148 120.572 120.400 0.040 0.000 2.148 215 K HA -0.066 4.255 4.320 0.002 0.000 0.204 215 K C 2.162 178.834 176.600 0.120 0.000 1.050 215 K CA 1.133 57.461 56.287 0.068 0.000 0.942 215 K CB -0.203 32.323 32.500 0.043 0.000 0.724 215 K HN 0.268 nan 8.250 nan 0.000 0.446 216 L N 0.858 122.172 121.223 0.152 0.000 2.056 216 L HA -0.159 4.182 4.340 0.002 0.000 0.207 216 L C 2.067 179.028 176.870 0.152 0.000 1.078 216 L CA 0.842 55.784 54.840 0.170 0.000 0.749 216 L CB -0.004 42.198 42.059 0.238 0.000 0.901 216 L HN -0.120 nan 8.230 nan 0.000 0.433 217 V N -0.347 119.633 119.914 0.110 0.000 2.358 217 V HA -0.284 3.837 4.120 0.002 0.000 0.246 217 V C 2.423 178.641 176.094 0.206 0.000 1.047 217 V CA 2.010 64.391 62.300 0.135 0.000 1.035 217 V CB -0.673 31.174 31.823 0.039 0.000 0.658 217 V HN 0.549 nan 8.190 nan 0.000 0.452 218 E N 0.383 120.727 120.200 0.241 0.000 2.058 218 E HA -0.216 4.135 4.350 0.002 0.000 0.194 218 E C 2.189 178.771 176.600 -0.029 0.000 0.997 218 E CA 1.919 58.358 56.400 0.065 0.000 0.801 218 E CB -0.042 29.715 29.700 0.095 0.000 0.746 218 E HN 0.445 nan 8.360 nan 0.000 0.450 219 V N 1.202 121.145 119.914 0.049 0.000 2.343 219 V HA -0.244 3.878 4.120 0.002 0.000 0.247 219 V C 2.491 178.654 176.094 0.115 0.000 1.051 219 V CA 1.741 64.081 62.300 0.068 0.000 1.036 219 V CB -0.793 31.118 31.823 0.147 0.000 0.654 219 V HN 0.428 nan 8.190 nan 0.000 0.451 220 A N 0.056 122.975 122.820 0.166 0.000 1.972 220 A HA -0.076 4.245 4.320 0.002 0.000 0.219 220 A C 2.368 180.030 177.584 0.130 0.000 1.169 220 A CA 1.860 54.030 52.037 0.222 0.000 0.635 220 A CB -0.631 18.487 19.000 0.198 0.000 0.810 220 A HN 0.577 nan 8.150 nan 0.000 0.446 221 A N -0.342 122.489 122.820 0.017 0.000 2.067 221 A HA -0.111 4.210 4.320 0.002 0.000 0.219 221 A C 1.521 179.008 177.584 -0.162 0.000 1.158 221 A CA 1.452 53.452 52.037 -0.062 0.000 0.661 221 A CB -0.371 18.535 19.000 -0.156 0.000 0.801 221 A HN 0.451 nan 8.150 nan 0.000 0.452 222 D N -1.357 118.853 120.400 -0.316 0.000 2.378 222 D HA 0.013 4.654 4.640 0.002 0.000 0.227 222 D C -0.039 175.806 176.300 -0.757 0.000 1.012 222 D CA 0.792 54.456 54.000 -0.561 0.000 0.905 222 D CB -0.028 40.333 40.800 -0.733 0.000 0.895 222 D HN 0.557 nan 8.370 nan 0.000 0.532 223 F N -0.225 119.735 119.950 0.017 0.000 2.772 223 F HA 0.235 4.763 4.527 0.001 0.000 0.316 223 F C -0.026 175.794 175.800 0.034 0.000 1.114 223 F CA -0.680 57.338 58.000 0.030 0.000 1.191 223 F CB 0.944 39.970 39.000 0.044 0.000 1.065 223 F HN -0.325 nan 8.300 nan 0.000 0.534 224 D N 0.061 120.535 120.400 0.123 0.000 2.419 224 D HA 0.137 4.778 4.640 0.002 0.000 0.219 224 D C 0.662 176.992 176.300 0.050 0.000 1.349 224 D CA -0.081 53.978 54.000 0.100 0.000 0.964 224 D CB 0.958 41.833 40.800 0.126 0.000 1.463 224 D HN 0.100 nan 8.370 nan 0.000 0.573 225 E N 1.515 121.737 120.200 0.037 0.000 2.136 225 E HA -0.294 4.057 4.350 0.002 0.000 0.208 225 E C 0.924 177.543 176.600 0.032 0.000 1.035 225 E CA 1.631 58.045 56.400 0.023 0.000 0.838 225 E CB 0.087 29.802 29.700 0.025 0.000 0.748 225 E HN 0.432 nan 8.360 nan 0.000 0.459 226 N N 0.357 119.084 118.700 0.045 0.000 2.244 226 N HA -0.092 4.649 4.740 0.002 0.000 0.183 226 N C 1.779 177.325 175.510 0.060 0.000 1.016 226 N CA 0.813 53.892 53.050 0.049 0.000 0.866 226 N CB -0.137 38.382 38.487 0.052 0.000 0.980 226 N HN 0.202 nan 8.380 nan 0.000 0.430 227 I N -0.174 120.438 120.570 0.070 0.000 2.394 227 I HA -0.205 3.966 4.170 0.002 0.000 0.251 227 I C 2.082 178.254 176.117 0.091 0.000 1.136 227 I CA 0.741 62.094 61.300 0.090 0.000 1.425 227 I CB -0.087 37.974 38.000 0.102 0.000 1.079 227 I HN 0.106 nan 8.210 nan 0.000 0.425 228 M N 0.480 120.106 119.600 0.043 0.000 2.099 228 M HA -0.154 4.327 4.480 0.002 0.000 0.262 228 M C 1.969 178.301 176.300 0.054 0.000 1.067 228 M CA 1.730 57.036 55.300 0.010 0.000 1.124 228 M CB -0.300 32.274 32.600 -0.043 0.000 1.353 228 M HN 0.113 nan 8.290 nan 0.000 0.410 229 L N -0.302 120.949 121.223 0.047 0.000 2.549 229 L HA -0.152 4.189 4.340 0.002 0.000 0.229 229 L C 1.498 178.406 176.870 0.064 0.000 1.158 229 L CA 1.442 56.311 54.840 0.049 0.000 0.842 229 L CB -0.509 41.571 42.059 0.035 0.000 0.952 229 L HN 0.373 nan 8.230 nan 0.000 0.452 230 K N -1.771 118.679 120.400 0.084 0.000 2.202 230 K HA -0.112 4.209 4.320 0.002 0.000 0.201 230 K C 1.837 178.500 176.600 0.104 0.000 1.051 230 K CA 0.624 56.959 56.287 0.080 0.000 0.977 230 K CB -0.078 32.467 32.500 0.075 0.000 0.792 230 K HN 0.148 nan 8.250 nan 0.000 0.469 231 Y N 0.643 120.940 120.300 -0.006 0.000 2.163 231 Y HA -0.238 4.313 4.550 0.002 0.000 0.288 231 Y C 1.540 177.430 175.900 -0.016 0.000 1.136 231 Y CA 1.002 59.092 58.100 -0.016 0.000 1.147 231 Y CB 0.140 38.588 38.460 -0.021 0.000 0.987 231 Y HN -0.082 nan 8.280 nan 0.000 0.509 232 L N 0.521 121.905 121.223 0.268 0.000 2.042 232 L HA -0.223 4.118 4.340 0.002 0.000 0.210 232 L C 2.100 179.018 176.870 0.080 0.000 1.076 232 L CA 1.893 56.829 54.840 0.159 0.000 0.749 232 L CB -0.975 41.138 42.059 0.091 0.000 0.893 232 L HN 0.276 nan 8.230 nan 0.000 0.432 233 E N -0.916 119.319 120.200 0.060 0.000 2.489 233 E HA 0.222 4.573 4.350 0.002 0.000 0.193 233 E C 0.590 177.193 176.600 0.006 0.000 1.057 233 E CA 0.428 56.846 56.400 0.029 0.000 0.866 233 E CB 0.080 29.797 29.700 0.029 0.000 0.916 233 E HN 0.399 nan 8.360 nan 0.000 0.500 234 G N 1.822 110.614 108.800 -0.014 0.000 2.531 234 G HA2 -0.279 3.682 3.960 0.002 0.000 0.283 234 G HA3 -0.279 3.682 3.960 0.002 0.000 0.283 234 G C -0.448 174.429 174.900 -0.038 0.000 1.068 234 G CA 0.560 45.630 45.100 -0.051 0.000 1.273 234 G HN 0.275 nan 8.290 nan 0.000 0.532 235 E N -0.459 119.716 120.200 -0.042 0.000 2.352 235 E HA 0.441 4.792 4.350 0.002 0.000 0.280 235 E C -0.747 175.843 176.600 -0.016 0.000 0.930 235 E CA -0.962 55.429 56.400 -0.014 0.000 0.765 235 E CB 1.395 31.101 29.700 0.010 0.000 1.219 235 E HN 0.200 nan 8.360 nan 0.000 0.434 236 E N 4.016 124.218 120.200 0.003 0.000 2.229 236 E HA 0.296 4.647 4.350 0.002 0.000 0.283 236 E C -2.437 174.193 176.600 0.050 0.000 1.030 236 E CA -1.951 54.463 56.400 0.023 0.000 0.836 236 E CB 0.879 30.609 29.700 0.050 0.000 1.068 236 E HN 0.149 nan 8.360 nan 0.000 0.401 237 P HA 0.060 nan 4.420 nan 0.000 0.268 237 P C -0.658 176.702 177.300 0.100 0.000 1.205 237 P CA -0.205 62.947 63.100 0.087 0.000 0.771 237 P CB 0.391 32.155 31.700 0.107 0.000 0.858 238 T N -1.562 113.044 114.554 0.087 0.000 2.900 238 T HA 0.013 4.364 4.350 0.002 0.000 0.307 238 T C 1.253 176.016 174.700 0.104 0.000 1.065 238 T CA -0.295 61.856 62.100 0.085 0.000 1.105 238 T CB 0.547 69.455 68.868 0.068 0.000 0.979 238 T HN 0.626 nan 8.240 nan 0.000 0.544 239 E N 0.898 121.158 120.200 0.100 0.000 2.204 239 E HA -0.229 4.122 4.350 0.002 0.000 0.195 239 E C 1.426 178.092 176.600 0.110 0.000 0.990 239 E CA 1.288 57.757 56.400 0.115 0.000 0.821 239 E CB -0.156 29.603 29.700 0.098 0.000 0.750 239 E HN 0.817 nan 8.360 nan 0.000 0.477 240 E N 1.242 121.493 120.200 0.086 0.000 2.072 240 E HA -0.145 4.206 4.350 0.002 0.000 0.191 240 E C 1.922 178.577 176.600 0.091 0.000 0.985 240 E CA 1.445 57.890 56.400 0.076 0.000 0.801 240 E CB -0.047 29.687 29.700 0.056 0.000 0.750 240 E HN 0.409 nan 8.360 nan 0.000 0.452 241 E N 0.342 120.600 120.200 0.096 0.000 2.058 241 E HA -0.195 4.156 4.350 0.002 0.000 0.194 241 E C 2.076 178.758 176.600 0.135 0.000 0.997 241 E CA 0.963 57.426 56.400 0.106 0.000 0.801 241 E CB -0.152 29.608 29.700 0.100 0.000 0.746 241 E HN 0.220 nan 8.360 nan 0.000 0.450 242 L N 0.377 121.692 121.223 0.154 0.000 1.994 242 L HA -0.205 4.136 4.340 0.002 0.000 0.208 242 L C 2.542 179.547 176.870 0.224 0.000 1.071 242 L CA 0.855 55.810 54.840 0.191 0.000 0.745 242 L CB -0.630 41.556 42.059 0.211 0.000 0.892 242 L HN 0.064 nan 8.230 nan 0.000 0.431 243 V N 0.409 120.455 119.914 0.220 0.000 2.250 243 V HA -0.386 3.735 4.120 0.002 0.000 0.250 243 V C 2.785 179.018 176.094 0.232 0.000 1.060 243 V CA 2.133 64.588 62.300 0.259 0.000 1.030 243 V CB -1.085 30.803 31.823 0.108 0.000 0.643 243 V HN 0.537 nan 8.190 nan 0.000 0.445 244 A N -0.371 122.539 122.820 0.149 0.000 1.933 244 A HA -0.091 4.230 4.320 0.002 0.000 0.218 244 A C 2.391 180.053 177.584 0.130 0.000 1.175 244 A CA 2.174 54.281 52.037 0.117 0.000 0.628 244 A CB -0.729 18.325 19.000 0.091 0.000 0.814 244 A HN 0.613 nan 8.150 nan 0.000 0.444 245 A N -0.195 122.720 122.820 0.159 0.000 1.898 245 A HA 0.010 4.331 4.320 0.002 0.000 0.216 245 A C 1.995 179.655 177.584 0.126 0.000 1.181 245 A CA 1.484 53.629 52.037 0.181 0.000 0.620 245 A CB -0.401 18.738 19.000 0.231 0.000 0.819 245 A HN 0.393 nan 8.150 nan 0.000 0.442 246 I N -0.346 120.321 120.570 0.162 0.000 2.315 246 I HA -0.154 4.017 4.170 0.002 0.000 0.248 246 I C 2.481 178.631 176.117 0.055 0.000 1.117 246 I CA 1.473 62.813 61.300 0.066 0.000 1.404 246 I CB -1.214 36.811 38.000 0.041 0.000 1.071 246 I HN 0.445 nan 8.210 nan 0.000 0.419 247 R N 1.511 122.166 120.500 0.259 0.000 2.094 247 R HA -0.251 4.090 4.340 0.002 0.000 0.239 247 R C 2.377 178.691 176.300 0.023 0.000 1.137 247 R CA 2.167 58.403 56.100 0.227 0.000 0.943 247 R CB -0.199 30.208 30.300 0.178 0.000 0.850 247 R HN 0.235 nan 8.270 nan 0.000 0.433 248 K N -0.811 119.563 120.400 -0.043 0.000 2.026 248 K HA -0.098 4.223 4.320 0.002 0.000 0.208 248 K C 1.957 178.355 176.600 -0.336 0.000 1.048 248 K CA 1.731 57.947 56.287 -0.117 0.000 0.929 248 K CB -0.394 32.080 32.500 -0.044 0.000 0.713 248 K HN 0.368 nan 8.250 nan 0.000 0.439 249 G N -0.316 108.026 108.800 -0.762 0.000 2.443 249 G HA2 -0.176 3.785 3.960 0.002 0.000 0.219 249 G HA3 -0.176 3.785 3.960 0.002 0.000 0.219 249 G C 1.340 175.943 174.900 -0.494 0.000 1.131 249 G CA 1.145 45.454 45.100 -1.318 0.000 0.775 249 G HN 0.331 nan 8.290 nan 0.000 0.547 250 T N 1.015 115.411 114.554 -0.263 0.000 2.770 250 T HA 0.031 4.382 4.350 0.002 0.000 0.263 250 T C 2.331 176.995 174.700 -0.059 0.000 1.039 250 T CA 0.632 62.675 62.100 -0.095 0.000 1.142 250 T CB -0.083 68.781 68.868 -0.007 0.000 0.868 250 T HN 0.224 nan 8.240 nan 0.000 0.435 251 I N 0.973 121.509 120.570 -0.057 0.000 2.617 251 I HA -0.048 4.123 4.170 0.002 0.000 0.256 251 I C 1.051 177.150 176.117 -0.031 0.000 1.167 251 I CA 0.972 62.257 61.300 -0.026 0.000 1.469 251 I CB -0.024 37.971 38.000 -0.009 0.000 1.098 251 I HN 0.145 nan 8.210 nan 0.000 0.436 252 D N 1.429 121.796 120.400 -0.055 0.000 2.460 252 D HA 0.137 4.778 4.640 0.002 0.000 0.229 252 D C 0.413 176.710 176.300 -0.005 0.000 1.170 252 D CA -0.026 53.962 54.000 -0.021 0.000 0.827 252 D CB 0.894 41.691 40.800 -0.005 0.000 0.973 252 D HN 0.027 nan 8.370 nan 0.000 0.496 253 L N 0.290 121.502 121.223 -0.018 0.000 4.089 253 L HA -0.245 4.096 4.340 0.002 0.000 0.408 253 L C 1.350 178.253 176.870 0.054 0.000 1.184 253 L CA 0.849 55.692 54.840 0.005 0.000 0.947 253 L CB -1.653 40.406 42.059 -0.001 0.000 2.066 253 L HN 0.139 nan 8.230 nan 0.000 0.851 254 K N -0.183 120.251 120.400 0.056 0.000 2.313 254 K HA 0.413 4.734 4.320 0.002 0.000 0.197 254 K C 0.894 177.599 176.600 0.175 0.000 1.061 254 K CA 0.815 57.193 56.287 0.152 0.000 0.980 254 K CB 0.956 33.631 32.500 0.292 0.000 0.888 254 K HN 0.657 nan 8.250 nan 0.000 0.502 255 I N -1.870 118.761 120.570 0.102 0.000 2.730 255 I HA 0.391 4.562 4.170 0.002 0.000 0.298 255 I C -1.041 175.142 176.117 0.109 0.000 1.089 255 I CA -0.805 60.568 61.300 0.121 0.000 1.041 255 I CB 2.559 40.629 38.000 0.116 0.000 1.235 255 I HN -0.307 nan 8.210 nan 0.000 0.423 256 T N 4.636 119.285 114.554 0.160 0.000 2.947 256 T HA 0.411 4.762 4.350 0.002 0.000 0.337 256 T C -2.594 172.155 174.700 0.081 0.000 1.139 256 T CA -1.202 61.014 62.100 0.193 0.000 0.992 256 T CB 0.562 69.674 68.868 0.406 0.000 1.043 256 T HN 0.427 nan 8.240 nan 0.000 0.498 257 P HA 0.170 nan 4.420 nan 0.000 0.264 257 P C -0.647 176.553 177.300 -0.166 0.000 1.193 257 P CA -0.243 62.747 63.100 -0.184 0.000 0.763 257 P CB 0.516 32.030 31.700 -0.310 0.000 0.810 258 V N 5.189 124.899 119.914 -0.340 0.000 2.417 258 V HA 0.443 4.564 4.120 0.002 0.000 0.291 258 V C -0.073 175.730 176.094 -0.485 0.000 1.024 258 V CA -0.215 61.957 62.300 -0.214 0.000 0.861 258 V CB 0.496 32.232 31.823 -0.145 0.000 0.985 258 V HN 0.352 nan 8.190 nan 0.000 0.436 259 F N 4.796 124.811 119.950 0.107 0.000 2.594 259 F HA 0.785 5.313 4.527 0.002 0.000 0.335 259 F C 0.010 175.873 175.800 0.104 0.000 1.058 259 F CA -0.965 57.118 58.000 0.138 0.000 0.981 259 F CB 1.705 40.836 39.000 0.218 0.000 1.289 259 F HN 0.321 nan 8.300 nan 0.000 0.490 260 L N -0.354 121.017 121.223 0.248 0.000 2.303 260 L HA 1.094 5.435 4.340 0.002 0.000 0.256 260 L C -0.468 176.470 176.870 0.114 0.000 1.034 260 L CA -0.530 54.272 54.840 -0.064 0.000 0.832 260 L CB 1.403 43.331 42.059 -0.218 0.000 1.403 260 L HN 0.805 nan 8.230 nan 0.000 0.419 261 G N 0.145 108.812 108.800 -0.221 0.000 2.399 261 G HA2 0.348 4.309 3.960 0.002 0.000 0.256 261 G HA3 0.348 4.309 3.960 0.002 0.000 0.256 261 G C -1.695 173.157 174.900 -0.080 0.000 1.236 261 G CA 0.181 45.329 45.100 0.080 0.000 0.914 261 G HN 0.902 nan 8.290 nan 0.000 0.482 262 S N -0.717 115.081 115.700 0.164 0.000 2.779 262 S HA 0.618 5.089 4.470 0.002 0.000 0.293 262 S C 0.943 175.639 174.600 0.159 0.000 1.150 262 S CA 0.819 59.079 58.200 0.099 0.000 1.057 262 S CB 1.062 64.334 63.200 0.121 0.000 1.021 262 S HN 1.852 nan 8.310 nan 0.000 0.485 263 A N 5.091 128.027 122.820 0.193 0.000 1.968 263 A HA 0.114 4.435 4.320 0.002 0.000 0.217 263 A C 1.879 179.523 177.584 0.100 0.000 1.169 263 A CA 0.734 52.877 52.037 0.177 0.000 0.638 263 A CB -0.522 18.593 19.000 0.191 0.000 0.812 263 A HN 0.804 nan 8.150 nan 0.000 0.446 264 L N -0.863 120.400 121.223 0.067 0.000 2.027 264 L HA -0.086 4.255 4.340 0.002 0.000 0.206 264 L C 1.173 178.060 176.870 0.029 0.000 1.074 264 L CA 1.413 56.273 54.840 0.033 0.000 0.745 264 L CB -0.177 41.895 42.059 0.021 0.000 0.898 264 L HN 0.211 nan 8.230 nan 0.000 0.433 265 K N 0.484 120.910 120.400 0.043 0.000 2.469 265 K HA 0.098 4.419 4.320 0.002 0.000 0.201 265 K C 0.005 176.621 176.600 0.026 0.000 1.028 265 K CA -0.154 56.154 56.287 0.034 0.000 1.170 265 K CB -0.443 32.087 32.500 0.049 0.000 0.874 265 K HN 0.334 nan 8.250 nan 0.000 0.507 266 N N 2.501 121.236 118.700 0.058 0.000 2.705 266 N HA -0.173 4.568 4.740 0.002 0.000 0.255 266 N C -0.997 174.487 175.510 -0.043 0.000 1.008 266 N CA 1.024 54.142 53.050 0.113 0.000 0.742 266 N CB -0.567 38.025 38.487 0.176 0.000 0.906 266 N HN 0.388 nan 8.380 nan 0.000 0.541 267 K N -0.429 119.856 120.400 -0.191 0.000 2.324 267 K HA 0.539 4.860 4.320 0.002 0.000 0.253 267 K C 1.119 177.587 176.600 -0.220 0.000 0.932 267 K CA -0.100 55.788 56.287 -0.665 0.000 0.799 267 K CB 2.174 34.043 32.500 -1.051 0.000 1.154 267 K HN 0.121 nan 8.250 nan 0.000 0.425 268 G N 0.833 109.530 108.800 -0.172 0.000 2.225 268 G HA2 -0.300 3.661 3.960 0.002 0.000 0.254 268 G HA3 -0.300 3.661 3.960 0.002 0.000 0.254 268 G C 0.745 175.594 174.900 -0.085 0.000 0.988 268 G CA 0.335 45.463 45.100 0.047 0.000 0.625 268 G HN 0.366 nan 8.290 nan 0.000 0.527 269 V N 0.796 120.577 119.914 -0.222 0.000 2.591 269 V HA -0.103 4.018 4.120 0.002 0.000 0.249 269 V C 2.709 178.437 176.094 -0.611 0.000 1.053 269 V CA 2.605 64.650 62.300 -0.424 0.000 1.068 269 V CB -0.163 31.494 31.823 -0.276 0.000 0.689 269 V HN 0.587 nan 8.190 nan 0.000 0.462 270 Q N -0.359 119.037 119.800 -0.673 0.000 2.230 270 Q HA -0.073 4.268 4.340 0.002 0.000 0.202 270 Q C 2.184 177.944 176.000 -0.401 0.000 0.963 270 Q CA 1.184 56.605 55.803 -0.636 0.000 0.866 270 Q CB -0.110 28.368 28.738 -0.433 0.000 0.931 270 Q HN 0.530 nan 8.270 nan 0.000 0.452 271 L N 0.022 121.058 121.223 -0.311 0.000 2.240 271 L HA -0.126 4.215 4.340 0.002 0.000 0.211 271 L C 2.153 178.790 176.870 -0.389 0.000 1.106 271 L CA 0.206 54.899 54.840 -0.245 0.000 0.793 271 L CB -0.227 41.758 42.059 -0.124 0.000 0.927 271 L HN 0.204 nan 8.230 nan 0.000 0.446 272 L N -0.644 120.290 121.223 -0.482 0.000 2.083 272 L HA -0.186 4.155 4.340 0.002 0.000 0.209 272 L C 2.220 178.719 176.870 -0.617 0.000 1.083 272 L CA 1.690 56.138 54.840 -0.653 0.000 0.752 272 L CB -0.367 41.245 42.059 -0.746 0.000 0.899 272 L HN 0.082 nan 8.230 nan 0.000 0.433 273 L N -0.435 120.394 121.223 -0.658 0.000 2.056 273 L HA -0.184 4.157 4.340 0.002 0.000 0.207 273 L C 2.188 178.759 176.870 -0.498 0.000 1.078 273 L CA 1.564 55.936 54.840 -0.781 0.000 0.749 273 L CB -1.473 39.670 42.059 -1.526 0.000 0.901 273 L HN 0.314 nan 8.230 nan 0.000 0.433 274 D N -0.576 119.657 120.400 -0.278 0.000 2.178 274 D HA -0.112 4.529 4.640 0.002 0.000 0.201 274 D C 2.152 178.336 176.300 -0.192 0.000 0.980 274 D CA 1.291 55.261 54.000 -0.049 0.000 0.842 274 D CB 0.127 40.923 40.800 -0.005 0.000 0.948 274 D HN 0.315 nan 8.370 nan 0.000 0.472 275 A N 0.042 122.663 122.820 -0.333 0.000 2.016 275 A HA -0.031 4.290 4.320 0.002 0.000 0.217 275 A C 2.386 179.880 177.584 -0.150 0.000 1.162 275 A CA 0.491 52.366 52.037 -0.269 0.000 0.662 275 A CB -0.349 18.126 19.000 -0.875 0.000 0.812 275 A HN 0.117 nan 8.150 nan 0.000 0.450 276 V N 0.251 120.030 119.914 -0.224 0.000 2.287 276 V HA -0.258 3.863 4.120 0.002 0.000 0.248 276 V C 2.767 178.783 176.094 -0.130 0.000 1.053 276 V CA 2.180 64.390 62.300 -0.150 0.000 1.027 276 V CB -0.860 30.846 31.823 -0.194 0.000 0.646 276 V HN 0.603 nan 8.190 nan 0.000 0.447 277 V N -1.005 118.802 119.914 -0.179 0.000 2.453 277 V HA -0.176 3.945 4.120 0.002 0.000 0.247 277 V C 2.052 177.992 176.094 -0.257 0.000 1.048 277 V CA 2.334 64.480 62.300 -0.256 0.000 1.049 277 V CB -0.742 30.762 31.823 -0.532 0.000 0.672 277 V HN 0.468 nan 8.190 nan 0.000 0.457 278 D N -0.423 119.755 120.400 -0.370 0.000 2.144 278 D HA -0.073 4.568 4.640 0.002 0.000 0.200 278 D C 1.756 177.689 176.300 -0.612 0.000 0.978 278 D CA 2.049 55.670 54.000 -0.632 0.000 0.833 278 D CB -0.120 39.989 40.800 -1.152 0.000 0.961 278 D HN 0.703 nan 8.370 nan 0.000 0.470 279 Y N -1.054 119.261 120.300 0.024 0.000 2.423 279 Y HA 0.276 4.827 4.550 0.002 0.000 0.257 279 Y C 0.415 176.327 175.900 0.018 0.000 1.087 279 Y CA -0.620 57.505 58.100 0.041 0.000 1.258 279 Y CB 0.377 38.897 38.460 0.100 0.000 1.237 279 Y HN -0.163 nan 8.280 nan 0.000 0.517 280 L N 3.450 124.735 121.223 0.104 0.000 2.357 280 L HA 0.451 4.792 4.340 0.002 0.000 0.273 280 L C -2.358 174.533 176.870 0.034 0.000 1.080 280 L CA -2.741 52.134 54.840 0.060 0.000 0.803 280 L CB 0.534 42.605 42.059 0.020 0.000 1.174 280 L HN -0.154 nan 8.230 nan 0.000 0.443 281 P HA 0.177 nan 4.420 nan 0.000 0.279 281 P C -0.724 176.581 177.300 0.007 0.000 1.239 281 P CA -0.462 62.648 63.100 0.016 0.000 0.789 281 P CB 1.078 32.783 31.700 0.009 0.000 0.933 282 S N 2.860 118.565 115.700 0.008 0.000 2.634 282 S HA 0.283 4.754 4.470 0.002 0.000 0.261 282 S C -1.639 172.958 174.600 -0.005 0.000 1.271 282 S CA -1.001 57.194 58.200 -0.008 0.000 0.985 282 S CB -0.202 62.986 63.200 -0.021 0.000 0.968 282 S HN 0.237 nan 8.310 nan 0.000 0.568 283 P HA 0.021 nan 4.420 nan 0.000 0.222 283 P C 1.215 178.534 177.300 0.031 0.000 1.147 283 P CA 0.376 63.484 63.100 0.014 0.000 0.790 283 P CB -0.068 31.641 31.700 0.016 0.000 0.780 284 L N -0.232 121.002 121.223 0.020 0.000 2.353 284 L HA -0.131 4.210 4.340 0.002 0.000 0.220 284 L C 1.590 178.479 176.870 0.032 0.000 1.133 284 L CA 1.827 56.685 54.840 0.029 0.000 0.798 284 L CB -1.211 40.856 42.059 0.013 0.000 0.922 284 L HN -0.006 nan 8.230 nan 0.000 0.445 285 D N -0.810 119.605 120.400 0.025 0.000 2.354 285 D HA 0.119 4.760 4.640 0.002 0.000 0.209 285 D C 0.804 177.119 176.300 0.025 0.000 1.015 285 D CA 0.357 54.371 54.000 0.023 0.000 0.867 285 D CB 0.772 41.583 40.800 0.018 0.000 0.933 285 D HN 0.257 nan 8.370 nan 0.000 0.520 286 I N -0.767 119.821 120.570 0.028 0.000 2.693 286 I HA 0.455 4.626 4.170 0.002 0.000 0.303 286 I C -2.695 173.444 176.117 0.036 0.000 1.025 286 I CA -2.293 59.023 61.300 0.027 0.000 1.086 286 I CB 1.161 39.172 38.000 0.019 0.000 1.268 286 I HN -0.355 nan 8.210 nan 0.000 0.440 287 P HA 0.203 nan 4.420 nan 0.000 0.265 287 P C -2.490 174.822 177.300 0.019 0.000 1.193 287 P CA -0.482 62.636 63.100 0.029 0.000 0.765 287 P CB -0.559 31.151 31.700 0.017 0.000 0.823 288 P HA 0.078 nan 4.420 nan 0.000 0.267 288 P C 0.596 177.848 177.300 -0.081 0.000 1.201 288 P CA 0.004 63.089 63.100 -0.025 0.000 0.775 288 P CB 0.791 32.431 31.700 -0.101 0.000 0.854 289 I N 1.334 121.831 120.570 -0.121 0.000 3.060 289 I HA 0.020 4.191 4.170 0.002 0.000 0.285 289 I C 0.608 176.606 176.117 -0.200 0.000 1.190 289 I CA -0.092 61.082 61.300 -0.210 0.000 1.363 289 I CB 0.434 38.157 38.000 -0.461 0.000 1.396 289 I HN 0.279 nan 8.210 nan 0.000 0.607 290 K N 3.870 124.164 120.400 -0.176 0.000 2.244 290 K HA 0.584 4.905 4.320 0.002 0.000 0.260 290 K C -0.455 176.061 176.600 -0.140 0.000 0.951 290 K CA -0.602 55.602 56.287 -0.137 0.000 0.826 290 K CB 1.897 34.342 32.500 -0.093 0.000 1.108 290 K HN 0.767 nan 8.250 nan 0.000 0.433 291 G N 0.554 109.286 108.800 -0.114 0.000 2.630 291 G HA2 0.468 4.429 3.960 0.002 0.000 0.296 291 G HA3 0.468 4.429 3.960 0.002 0.000 0.296 291 G C -1.092 173.776 174.900 -0.053 0.000 1.285 291 G CA -0.378 44.670 45.100 -0.086 0.000 0.958 291 G HN 0.374 nan 8.290 nan 0.000 0.479 292 T N 0.667 115.200 114.554 -0.036 0.000 2.823 292 T HA 0.594 4.945 4.350 0.002 0.000 0.279 292 T C 0.604 175.299 174.700 -0.007 0.000 0.998 292 T CA -0.275 61.813 62.100 -0.021 0.000 0.994 292 T CB 1.272 70.129 68.868 -0.018 0.000 0.960 292 T HN 0.852 nan 8.240 nan 0.000 0.448 293 T N 1.410 115.963 114.554 -0.003 0.000 2.899 293 T HA 0.343 4.694 4.350 0.002 0.000 0.284 293 T C -1.783 172.923 174.700 0.010 0.000 1.004 293 T CA -1.774 60.330 62.100 0.007 0.000 1.043 293 T CB 0.895 69.766 68.868 0.005 0.000 1.013 293 T HN 0.161 nan 8.240 nan 0.000 0.518 294 P HA -0.042 nan 4.420 nan 0.000 0.218 294 P C 0.918 178.225 177.300 0.012 0.000 1.149 294 P CA 0.889 64.000 63.100 0.018 0.000 0.817 294 P CB -0.012 31.704 31.700 0.026 0.000 0.785 295 E N -0.881 119.325 120.200 0.009 0.000 2.485 295 E HA 0.120 4.471 4.350 0.002 0.000 0.194 295 E C 1.311 177.913 176.600 0.004 0.000 1.098 295 E CA 0.637 57.041 56.400 0.006 0.000 0.878 295 E CB -0.679 29.024 29.700 0.005 0.000 0.939 295 E HN 0.261 nan 8.360 nan 0.000 0.503 296 G N 2.304 111.106 108.800 0.003 0.000 2.253 296 G HA2 -0.367 3.594 3.960 0.002 0.000 0.251 296 G HA3 -0.367 3.594 3.960 0.002 0.000 0.251 296 G C 0.226 175.124 174.900 -0.002 0.000 0.998 296 G CA 0.291 45.391 45.100 0.001 0.000 0.621 296 G HN 0.427 nan 8.290 nan 0.000 0.524 297 E N 0.915 121.114 120.200 -0.002 0.000 2.493 297 E HA 0.333 4.684 4.350 0.002 0.000 0.255 297 E C 0.305 176.899 176.600 -0.010 0.000 0.999 297 E CA -0.273 56.124 56.400 -0.004 0.000 0.934 297 E CB 0.482 30.181 29.700 -0.001 0.000 0.940 297 E HN 0.147 nan 8.360 nan 0.000 0.473 298 V N 5.779 125.685 119.914 -0.013 0.000 2.488 298 V HA 0.147 4.268 4.120 0.002 0.000 0.277 298 V C -0.034 176.043 176.094 -0.027 0.000 1.046 298 V CA -0.198 62.088 62.300 -0.023 0.000 0.986 298 V CB 1.304 33.113 31.823 -0.023 0.000 0.989 298 V HN 0.439 nan 8.190 nan 0.000 0.475 299 V N 4.657 124.547 119.914 -0.041 0.000 2.789 299 V HA 0.418 4.539 4.120 0.002 0.000 0.311 299 V C -0.199 175.841 176.094 -0.089 0.000 1.073 299 V CA -0.953 61.318 62.300 -0.048 0.000 0.921 299 V CB 2.186 33.988 31.823 -0.035 0.000 1.009 299 V HN 0.848 nan 8.190 nan 0.000 0.426 300 E N 2.396 122.523 120.200 -0.121 0.000 2.283 300 E HA 0.534 4.885 4.350 0.002 0.000 0.278 300 E C -1.178 175.237 176.600 -0.307 0.000 1.027 300 E CA -0.334 55.930 56.400 -0.228 0.000 0.843 300 E CB 1.426 30.954 29.700 -0.285 0.000 1.062 300 E HN 0.489 nan 8.360 nan 0.000 0.401 301 I N 4.314 124.706 120.570 -0.295 0.000 2.355 301 I HA 0.151 4.322 4.170 0.002 0.000 0.288 301 I C -0.176 175.818 176.117 -0.207 0.000 0.999 301 I CA -0.524 60.656 61.300 -0.201 0.000 1.163 301 I CB 0.736 38.676 38.000 -0.100 0.000 1.316 301 I HN 0.419 nan 8.210 nan 0.000 0.454 302 H N 7.190 126.287 119.070 0.045 0.000 2.511 302 H HA 0.242 4.799 4.556 0.001 0.000 0.346 302 H C -1.948 173.426 175.328 0.078 0.000 1.128 302 H CA -1.867 54.213 56.048 0.054 0.000 1.342 302 H CB 0.999 30.785 29.762 0.041 0.000 1.470 302 H HN 0.337 nan 8.280 nan 0.000 0.546 303 P HA 0.018 nan 4.420 nan 0.000 0.225 303 P C -0.424 176.964 177.300 0.146 0.000 1.768 303 P CA -0.097 63.101 63.100 0.162 0.000 0.943 303 P CB -0.584 31.200 31.700 0.140 0.000 1.936 304 D N 2.125 122.608 120.400 0.139 0.000 2.373 304 D HA 0.161 4.802 4.640 0.002 0.000 0.227 304 D C -1.317 175.033 176.300 0.084 0.000 1.091 304 D CA -2.625 51.439 54.000 0.107 0.000 0.840 304 D CB 1.223 42.078 40.800 0.092 0.000 1.060 304 D HN 0.015 nan 8.370 nan 0.000 0.502 305 P HA -0.076 nan 4.420 nan 0.000 0.225 305 P C 0.214 177.513 177.300 -0.000 0.000 1.148 305 P CA 0.689 63.800 63.100 0.018 0.000 0.779 305 P CB 0.397 32.096 31.700 -0.003 0.000 0.780 306 N N -0.795 117.919 118.700 0.024 0.000 2.205 306 N HA 0.082 4.823 4.740 0.002 0.000 0.201 306 N C 1.271 176.797 175.510 0.026 0.000 1.128 306 N CA 0.208 53.269 53.050 0.018 0.000 0.867 306 N CB 0.203 38.702 38.487 0.020 0.000 0.996 306 N HN 0.104 nan 8.380 nan 0.000 0.503 307 G N 1.730 110.554 108.800 0.039 0.000 2.631 307 G HA2 0.248 4.209 3.960 0.002 0.000 0.271 307 G HA3 0.248 4.209 3.960 0.002 0.000 0.271 307 G C -2.361 172.564 174.900 0.041 0.000 1.302 307 G CA -0.512 44.615 45.100 0.046 0.000 1.002 307 G HN -0.003 nan 8.290 nan 0.000 0.519 308 P HA 0.164 nan 4.420 nan 0.000 0.270 308 P C -0.366 176.964 177.300 0.051 0.000 1.223 308 P CA -0.501 62.624 63.100 0.042 0.000 0.785 308 P CB 0.582 32.307 31.700 0.042 0.000 0.923 309 L N 1.822 123.076 121.223 0.052 0.000 2.281 309 L HA 0.554 4.895 4.340 0.002 0.000 0.285 309 L C -0.494 176.423 176.870 0.079 0.000 1.074 309 L CA -0.071 54.805 54.840 0.060 0.000 0.817 309 L CB -0.575 41.517 42.059 0.054 0.000 1.168 309 L HN 0.390 nan 8.230 nan 0.000 0.434 310 A N 4.648 127.527 122.820 0.099 0.000 2.356 310 A HA 0.982 5.303 4.320 0.002 0.000 0.310 310 A C -0.893 176.801 177.584 0.184 0.000 1.075 310 A CA 0.061 52.174 52.037 0.127 0.000 0.746 310 A CB 1.408 20.480 19.000 0.120 0.000 1.221 310 A HN 1.194 nan 8.150 nan 0.000 0.443 311 A N 1.668 124.599 122.820 0.185 0.000 2.606 311 A HA 0.752 5.073 4.320 0.002 0.000 0.293 311 A C -1.641 176.075 177.584 0.220 0.000 1.082 311 A CA -0.370 51.790 52.037 0.205 0.000 0.685 311 A CB 1.064 20.124 19.000 0.101 0.000 1.284 311 A HN 0.999 nan 8.150 nan 0.000 0.408 312 L N 1.389 122.775 121.223 0.271 0.000 2.329 312 L HA 0.696 5.037 4.340 0.002 0.000 0.279 312 L C 0.467 177.474 176.870 0.229 0.000 1.014 312 L CA -0.811 54.177 54.840 0.247 0.000 0.814 312 L CB 1.775 44.032 42.059 0.330 0.000 1.257 312 L HN 0.969 nan 8.230 nan 0.000 0.424 313 A N 3.738 126.649 122.820 0.151 0.000 2.347 313 A HA 0.253 4.574 4.320 0.002 0.000 0.287 313 A C 0.074 177.759 177.584 0.168 0.000 1.199 313 A CA -0.243 51.856 52.037 0.103 0.000 0.851 313 A CB -0.248 18.771 19.000 0.031 0.000 1.118 313 A HN 0.744 nan 8.150 nan 0.000 0.525 314 F N 0.841 120.841 119.950 0.083 0.000 2.720 314 F HA 0.538 5.066 4.527 0.002 0.000 0.301 314 F C 0.342 176.179 175.800 0.062 0.000 1.103 314 F CA -0.383 57.653 58.000 0.060 0.000 1.291 314 F CB 0.528 39.550 39.000 0.038 0.000 1.086 314 F HN 0.336 nan 8.300 nan 0.000 0.592 315 K N 1.679 121.900 120.400 -0.298 0.000 2.570 315 K HA 0.314 4.635 4.320 0.002 0.000 0.256 315 K C -1.858 174.732 176.600 -0.016 0.000 0.939 315 K CA -0.357 55.849 56.287 -0.136 0.000 0.833 315 K CB 2.608 34.979 32.500 -0.214 0.000 1.318 315 K HN -0.024 nan 8.250 nan 0.000 0.433 316 I N 4.160 124.740 120.570 0.017 0.000 2.359 316 I HA 0.447 4.618 4.170 0.002 0.000 0.294 316 I C 0.126 176.279 176.117 0.061 0.000 0.987 316 I CA -0.546 60.769 61.300 0.025 0.000 1.225 316 I CB 1.334 39.334 38.000 -0.001 0.000 1.366 316 I HN 0.501 nan 8.210 nan 0.000 0.466 317 M N 4.894 124.541 119.600 0.078 0.000 2.093 317 M HA 0.419 4.900 4.480 0.002 0.000 0.297 317 M C -0.134 176.190 176.300 0.040 0.000 0.938 317 M CA -0.648 54.708 55.300 0.093 0.000 0.920 317 M CB 2.083 34.810 32.600 0.212 0.000 1.517 317 M HN 0.659 nan 8.290 nan 0.000 0.427 318 A N 3.000 125.838 122.820 0.030 0.000 2.505 318 A HA 0.197 4.518 4.320 0.002 0.000 0.271 318 A C -0.480 177.106 177.584 0.003 0.000 1.112 318 A CA 0.320 52.365 52.037 0.014 0.000 0.781 318 A CB -0.403 18.612 19.000 0.024 0.000 1.059 318 A HN 0.813 nan 8.150 nan 0.000 0.508 319 D N 2.586 122.978 120.400 -0.014 0.000 2.248 319 D HA 0.610 5.251 4.640 0.002 0.000 0.246 319 D C -2.246 174.005 176.300 -0.081 0.000 1.027 319 D CA -1.632 52.345 54.000 -0.038 0.000 0.853 319 D CB 1.754 42.549 40.800 -0.009 0.000 1.243 319 D HN 0.218 nan 8.370 nan 0.000 0.462 320 P HA 0.217 nan 4.420 nan 0.000 0.250 320 P C -0.890 176.198 177.300 -0.353 0.000 1.808 320 P CA -0.064 62.881 63.100 -0.258 0.000 1.117 320 P CB 0.073 31.576 31.700 -0.328 0.000 1.602 321 Y N -1.352 118.955 120.300 0.011 0.000 2.589 321 Y HA 0.071 4.622 4.550 0.002 0.000 0.274 321 Y C 1.903 177.802 175.900 -0.001 0.000 1.177 321 Y CA 0.185 58.289 58.100 0.008 0.000 1.123 321 Y CB 0.152 38.620 38.460 0.013 0.000 1.330 321 Y HN -0.205 nan 8.280 nan 0.000 0.518 322 V N -2.556 117.444 119.914 0.143 0.000 3.612 322 V HA 0.766 4.887 4.120 0.002 0.000 0.268 322 V C 1.043 177.150 176.094 0.021 0.000 1.365 322 V CA 0.184 62.522 62.300 0.064 0.000 1.044 322 V CB 0.080 31.927 31.823 0.039 0.000 0.820 322 V HN 0.451 nan 8.190 nan 0.000 0.444 323 G N 1.120 109.926 108.800 0.011 0.000 2.582 323 G HA2 -0.204 3.757 3.960 0.002 0.000 0.222 323 G HA3 -0.204 3.757 3.960 0.002 0.000 0.222 323 G C -0.153 174.731 174.900 -0.027 0.000 1.311 323 G CA -0.281 44.815 45.100 -0.008 0.000 0.915 323 G HN 0.586 nan 8.290 nan 0.000 0.528 324 R N -0.342 120.140 120.500 -0.030 0.000 3.150 324 R HA 0.063 4.404 4.340 0.002 0.000 0.279 324 R C -0.083 176.165 176.300 -0.086 0.000 0.742 324 R CA 0.593 56.666 56.100 -0.046 0.000 1.080 324 R CB -0.558 29.718 30.300 -0.041 0.000 0.918 324 R HN 0.467 nan 8.270 nan 0.000 0.386 325 L N 4.570 125.723 121.223 -0.117 0.000 2.342 325 L HA 0.226 4.567 4.340 0.002 0.000 0.276 325 L C -0.069 176.613 176.870 -0.313 0.000 0.997 325 L CA -0.460 54.232 54.840 -0.246 0.000 0.838 325 L CB 1.983 43.878 42.059 -0.275 0.000 1.224 325 L HN 0.641 nan 8.230 nan 0.000 0.416 326 T N 3.047 117.406 114.554 -0.325 0.000 2.749 326 T HA 0.478 4.829 4.350 0.002 0.000 0.287 326 T C -0.532 173.931 174.700 -0.395 0.000 0.970 326 T CA -0.249 61.690 62.100 -0.268 0.000 0.980 326 T CB 0.214 68.998 68.868 -0.141 0.000 0.924 326 T HN 0.160 nan 8.240 nan 0.000 0.456 327 F N 5.305 125.067 119.950 -0.314 0.000 2.394 327 F HA 0.614 5.142 4.527 0.002 0.000 0.340 327 F C 0.540 176.084 175.800 -0.426 0.000 1.105 327 F CA -0.937 56.789 58.000 -0.457 0.000 1.124 327 F CB 1.092 39.575 39.000 -0.860 0.000 1.145 327 F HN 0.647 nan 8.300 nan 0.000 0.505 328 I N 0.551 121.170 120.570 0.081 0.000 2.865 328 I HA 0.730 4.901 4.170 0.002 0.000 0.302 328 I C -1.040 175.290 176.117 0.355 0.000 1.140 328 I CA -1.269 60.171 61.300 0.233 0.000 1.021 328 I CB 2.220 40.273 38.000 0.088 0.000 1.233 328 I HN 0.435 nan 8.210 nan 0.000 0.427 329 R N 4.210 124.864 120.500 0.256 0.000 2.338 329 R HA 0.721 5.062 4.340 0.002 0.000 0.317 329 R C -1.838 174.319 176.300 -0.238 0.000 0.968 329 R CA -0.599 55.453 56.100 -0.079 0.000 0.849 329 R CB 1.603 31.721 30.300 -0.303 0.000 1.128 329 R HN 0.638 nan 8.270 nan 0.000 0.448 330 V N 6.683 126.453 119.914 -0.240 0.000 2.465 330 V HA 0.227 4.348 4.120 0.002 0.000 0.279 330 V C -0.085 175.817 176.094 -0.320 0.000 1.045 330 V CA -0.177 62.018 62.300 -0.175 0.000 0.938 330 V CB 1.124 32.908 31.823 -0.064 0.000 0.986 330 V HN 0.839 nan 8.190 nan 0.000 0.467 331 Y N 2.083 122.403 120.300 0.033 0.000 2.524 331 Y HA 0.296 4.848 4.550 0.002 0.000 0.270 331 Y C 1.347 177.268 175.900 0.036 0.000 1.094 331 Y CA 0.548 58.664 58.100 0.026 0.000 1.276 331 Y CB 0.792 39.257 38.460 0.009 0.000 1.130 331 Y HN 0.611 nan 8.280 nan 0.000 0.536 332 S N -1.005 114.795 115.700 0.167 0.000 2.537 332 S HA 0.580 5.051 4.470 0.002 0.000 0.270 332 S C -0.106 174.538 174.600 0.073 0.000 1.142 332 S CA -0.084 58.188 58.200 0.120 0.000 0.870 332 S CB 0.927 64.200 63.200 0.121 0.000 1.112 332 S HN 0.817 nan 8.310 nan 0.000 0.466 333 G N 2.195 111.026 108.800 0.052 0.000 2.601 333 G HA2 -0.104 3.857 3.960 0.002 0.000 0.252 333 G HA3 -0.104 3.857 3.960 0.002 0.000 0.252 333 G C -0.360 174.529 174.900 -0.017 0.000 1.294 333 G CA 0.031 45.145 45.100 0.022 0.000 0.912 333 G HN 1.423 nan 8.290 nan 0.000 0.574 334 T N 0.220 114.758 114.554 -0.027 0.000 3.011 334 T HA 0.507 4.858 4.350 0.002 0.000 0.303 334 T C -0.448 174.232 174.700 -0.034 0.000 0.997 334 T CA -0.251 61.811 62.100 -0.063 0.000 1.007 334 T CB 1.633 70.449 68.868 -0.086 0.000 1.017 334 T HN 0.945 nan 8.240 nan 0.000 0.443 335 L N 3.348 124.551 121.223 -0.034 0.000 2.326 335 L HA 0.687 5.028 4.340 0.002 0.000 0.278 335 L C 0.138 176.989 176.870 -0.031 0.000 1.092 335 L CA 0.495 55.323 54.840 -0.019 0.000 0.810 335 L CB 1.250 43.300 42.059 -0.014 0.000 1.153 335 L HN 0.565 nan 8.230 nan 0.000 0.439 336 T N 2.947 117.486 114.554 -0.025 0.000 2.885 336 T HA 0.324 4.675 4.350 0.002 0.000 0.285 336 T C -0.631 174.045 174.700 -0.040 0.000 1.019 336 T CA -0.368 61.714 62.100 -0.030 0.000 1.010 336 T CB 1.482 70.338 68.868 -0.020 0.000 1.022 336 T HN 0.688 nan 8.240 nan 0.000 0.466 337 S N 1.486 117.162 115.700 -0.041 0.000 2.549 337 S HA 0.443 4.914 4.470 0.002 0.000 0.279 337 S C 1.346 175.905 174.600 -0.068 0.000 1.321 337 S CA 0.609 58.777 58.200 -0.052 0.000 1.054 337 S CB -0.086 63.090 63.200 -0.040 0.000 0.899 337 S HN 1.236 nan 8.310 nan 0.000 0.497 338 G N 3.405 112.146 108.800 -0.099 0.000 2.341 338 G HA2 -0.236 3.725 3.960 0.002 0.000 0.292 338 G HA3 -0.236 3.725 3.960 0.002 0.000 0.292 338 G C 0.145 174.941 174.900 -0.173 0.000 1.021 338 G CA 0.602 45.616 45.100 -0.144 0.000 0.905 338 G HN 1.294 nan 8.290 nan 0.000 0.508 339 S N -1.271 114.337 115.700 -0.155 0.000 2.747 339 S HA 0.832 5.303 4.470 0.002 0.000 0.300 339 S C -0.291 174.175 174.600 -0.223 0.000 1.121 339 S CA -1.091 57.039 58.200 -0.116 0.000 0.995 339 S CB 1.538 64.737 63.200 -0.002 0.000 1.113 339 S HN 0.337 nan 8.310 nan 0.000 0.547 340 Y N -0.129 120.181 120.300 0.015 0.000 2.387 340 Y HA 0.607 5.158 4.550 0.002 0.000 0.330 340 Y C 0.519 176.444 175.900 0.041 0.000 1.133 340 Y CA -0.894 57.222 58.100 0.028 0.000 1.152 340 Y CB 1.560 40.041 38.460 0.036 0.000 1.215 340 Y HN 0.683 nan 8.280 nan 0.000 0.466 341 V N -0.428 119.611 119.914 0.208 0.000 3.158 341 V HA 0.606 4.727 4.120 0.002 0.000 0.315 341 V C -1.850 174.376 176.094 0.221 0.000 1.148 341 V CA -1.302 61.100 62.300 0.170 0.000 1.042 341 V CB 2.238 34.118 31.823 0.094 0.000 1.101 341 V HN 0.673 nan 8.190 nan 0.000 0.448 342 Y N 1.314 121.649 120.300 0.058 0.000 2.346 342 Y HA 0.509 5.060 4.550 0.001 0.000 0.332 342 Y C -0.287 175.633 175.900 0.034 0.000 0.985 342 Y CA -0.784 57.342 58.100 0.044 0.000 1.112 342 Y CB 1.731 40.210 38.460 0.031 0.000 1.170 342 Y HN 0.934 nan 8.280 nan 0.000 0.447 343 N N 3.662 122.075 118.700 -0.478 0.000 2.415 343 N HA 0.095 4.836 4.740 0.002 0.000 0.246 343 N C 0.823 176.004 175.510 -0.548 0.000 1.078 343 N CA 0.404 53.241 53.050 -0.354 0.000 0.942 343 N CB 0.907 39.254 38.487 -0.232 0.000 1.140 343 N HN 0.835 nan 8.380 nan 0.000 0.501 344 T N -0.287 114.112 114.554 -0.258 0.000 2.915 344 T HA -0.134 4.217 4.350 0.002 0.000 0.269 344 T C 1.541 176.192 174.700 -0.082 0.000 1.071 344 T CA 1.441 63.477 62.100 -0.106 0.000 1.132 344 T CB -0.329 68.588 68.868 0.082 0.000 0.878 344 T HN 0.449 nan 8.240 nan 0.000 0.479 345 T N 1.705 116.208 114.554 -0.086 0.000 2.612 345 T HA 0.039 4.390 4.350 0.002 0.000 0.259 345 T C 1.228 175.884 174.700 -0.074 0.000 1.065 345 T CA 0.583 62.650 62.100 -0.056 0.000 1.167 345 T CB -0.124 68.719 68.868 -0.042 0.000 0.863 345 T HN 0.264 nan 8.240 nan 0.000 0.407 346 K N 1.407 121.743 120.400 -0.107 0.000 2.545 346 K HA 0.456 4.777 4.320 0.002 0.000 0.269 346 K C 0.855 177.364 176.600 -0.151 0.000 1.071 346 K CA -0.129 56.095 56.287 -0.106 0.000 0.919 346 K CB -0.598 31.838 32.500 -0.107 0.000 1.169 346 K HN 0.437 nan 8.250 nan 0.000 0.493 347 G N 0.724 109.442 108.800 -0.136 0.000 4.332 347 G HA2 0.484 4.445 3.960 0.002 0.000 0.321 347 G HA3 0.484 4.445 3.960 0.002 0.000 0.321 347 G C -0.918 173.917 174.900 -0.108 0.000 1.439 347 G CA -0.582 44.439 45.100 -0.132 0.000 0.900 347 G HN 0.441 nan 8.290 nan 0.000 0.515 348 R N -0.537 119.759 120.500 -0.341 0.000 2.664 348 R HA 0.506 4.847 4.340 0.002 0.000 0.260 348 R C -1.358 174.898 176.300 -0.073 0.000 1.062 348 R CA -1.198 54.843 56.100 -0.097 0.000 0.902 348 R CB 1.090 31.356 30.300 -0.057 0.000 1.258 348 R HN 0.012 nan 8.270 nan 0.000 0.465 349 K N 1.302 121.775 120.400 0.121 0.000 2.237 349 K HA 0.298 4.619 4.320 0.002 0.000 0.270 349 K C -0.564 176.115 176.600 0.133 0.000 1.015 349 K CA -0.218 56.176 56.287 0.177 0.000 0.949 349 K CB 0.692 33.293 32.500 0.168 0.000 0.976 349 K HN 0.482 nan 8.250 nan 0.000 0.472 350 E N 1.354 121.652 120.200 0.164 0.000 2.308 350 E HA 0.166 4.517 4.350 0.002 0.000 0.275 350 E C -1.129 175.526 176.600 0.092 0.000 0.890 350 E CA -1.123 55.338 56.400 0.101 0.000 0.754 350 E CB 2.249 31.965 29.700 0.027 0.000 1.207 350 E HN 0.427 nan 8.360 nan 0.000 0.426 351 R N 1.141 121.642 120.500 0.003 0.000 2.298 351 R HA 0.215 4.556 4.340 0.002 0.000 0.310 351 R C -0.634 175.571 176.300 -0.157 0.000 1.068 351 R CA -0.398 55.570 56.100 -0.220 0.000 0.957 351 R CB 0.887 31.031 30.300 -0.260 0.000 1.003 351 R HN 0.256 nan 8.270 nan 0.000 0.454 352 V N 5.652 125.461 119.914 -0.176 0.000 2.338 352 V HA 0.394 4.515 4.120 0.002 0.000 0.255 352 V C 1.066 177.081 176.094 -0.131 0.000 1.082 352 V CA 0.506 62.733 62.300 -0.121 0.000 0.951 352 V CB -0.143 31.628 31.823 -0.087 0.000 1.102 352 V HN 1.022 nan 8.190 nan 0.000 0.489 353 A N 7.493 130.247 122.820 -0.110 0.000 1.865 353 A HA 0.079 4.400 4.320 0.002 0.000 0.217 353 A C 1.445 178.984 177.584 -0.075 0.000 1.191 353 A CA 1.193 53.174 52.037 -0.092 0.000 0.623 353 A CB -0.024 18.934 19.000 -0.071 0.000 0.826 353 A HN 0.724 nan 8.150 nan 0.000 0.444 354 R N -1.716 118.743 120.500 -0.068 0.000 2.740 354 R HA 0.667 5.008 4.340 0.002 0.000 0.273 354 R C -1.844 174.421 176.300 -0.059 0.000 0.998 354 R CA -0.564 55.503 56.100 -0.055 0.000 0.900 354 R CB 1.543 31.816 30.300 -0.045 0.000 1.223 354 R HN 0.300 nan 8.270 nan 0.000 0.466 355 L N 3.647 124.844 121.223 -0.043 0.000 2.356 355 L HA 0.587 4.928 4.340 0.002 0.000 0.277 355 L C -0.794 176.068 176.870 -0.014 0.000 0.996 355 L CA -0.666 54.151 54.840 -0.039 0.000 0.822 355 L CB 1.733 43.775 42.059 -0.027 0.000 1.256 355 L HN 0.321 nan 8.230 nan 0.000 0.413 356 L N 3.265 124.477 121.223 -0.019 0.000 2.370 356 L HA 0.636 4.977 4.340 0.002 0.000 0.266 356 L C -0.544 176.358 176.870 0.053 0.000 1.002 356 L CA -0.781 54.073 54.840 0.024 0.000 0.818 356 L CB 2.534 44.597 42.059 0.007 0.000 1.325 356 L HN 0.550 nan 8.230 nan 0.000 0.418 357 R N 2.096 122.666 120.500 0.117 0.000 2.711 357 R HA 0.667 5.008 4.340 0.002 0.000 0.284 357 R C -1.068 175.335 176.300 0.172 0.000 0.968 357 R CA -0.863 55.307 56.100 0.118 0.000 0.924 357 R CB 2.045 32.389 30.300 0.073 0.000 1.162 357 R HN 0.398 nan 8.270 nan 0.000 0.465 358 M N 3.382 123.054 119.600 0.120 0.000 2.088 358 M HA 0.321 4.802 4.480 0.002 0.000 0.346 358 M C -0.113 176.189 176.300 0.002 0.000 1.111 358 M CA -0.221 55.160 55.300 0.136 0.000 1.017 358 M CB 0.867 33.564 32.600 0.161 0.000 1.568 358 M HN 0.528 nan 8.290 nan 0.000 0.445 359 H N 0.901 119.930 119.070 -0.069 0.000 2.497 359 H HA 0.446 5.003 4.556 0.002 0.000 0.331 359 H C 0.946 176.177 175.328 -0.162 0.000 1.457 359 H CA -0.352 55.575 56.048 -0.202 0.000 1.459 359 H CB 1.064 30.481 29.762 -0.574 0.000 1.728 359 H HN 0.771 nan 8.280 nan 0.000 0.691 360 A N 0.606 123.416 122.820 -0.017 0.000 1.883 360 A HA -0.250 4.071 4.320 0.002 0.000 0.217 360 A C 1.606 179.194 177.584 0.007 0.000 1.186 360 A CA 2.234 54.269 52.037 -0.003 0.000 0.624 360 A CB -0.885 18.122 19.000 0.011 0.000 0.822 360 A HN 0.899 nan 8.150 nan 0.000 0.444 361 N N -2.296 116.390 118.700 -0.024 0.000 2.171 361 N HA 0.111 4.852 4.740 0.002 0.000 0.212 361 N C 0.096 175.671 175.510 0.108 0.000 1.184 361 N CA 0.143 53.218 53.050 0.042 0.000 0.888 361 N CB 0.185 38.713 38.487 0.069 0.000 1.038 361 N HN 0.785 nan 8.380 nan 0.000 0.517 362 H N -1.312 117.818 119.070 0.100 0.000 3.042 362 H HA 0.467 5.024 4.556 0.002 0.000 0.346 362 H C -1.423 173.980 175.328 0.126 0.000 1.294 362 H CA -1.128 54.960 56.048 0.068 0.000 1.141 362 H CB 1.217 30.972 29.762 -0.011 0.000 1.872 362 H HN -0.133 nan 8.280 nan 0.000 0.541 363 R N 0.630 121.330 120.500 0.333 0.000 2.536 363 R HA 0.314 4.655 4.340 0.002 0.000 0.279 363 R C -0.479 175.995 176.300 0.289 0.000 1.001 363 R CA -0.697 55.581 56.100 0.298 0.000 1.027 363 R CB 1.616 32.020 30.300 0.173 0.000 1.096 363 R HN 0.679 nan 8.270 nan 0.000 0.502 364 E N 1.811 122.183 120.200 0.286 0.000 2.241 364 E HA 0.079 4.430 4.350 0.002 0.000 0.263 364 E C -1.299 175.382 176.600 0.136 0.000 0.882 364 E CA -0.436 56.081 56.400 0.194 0.000 0.769 364 E CB 1.605 31.498 29.700 0.323 0.000 1.185 364 E HN 0.539 nan 8.360 nan 0.000 0.415 365 E N 3.384 123.625 120.200 0.068 0.000 2.338 365 E HA 0.289 4.640 4.350 0.002 0.000 0.272 365 E C -0.659 175.971 176.600 0.049 0.000 1.029 365 E CA -0.526 55.901 56.400 0.043 0.000 0.872 365 E CB 1.182 30.890 29.700 0.014 0.000 1.015 365 E HN 0.365 nan 8.360 nan 0.000 0.417 366 V N 1.347 121.287 119.914 0.043 0.000 3.040 366 V HA 0.364 4.485 4.120 0.002 0.000 0.312 366 V C 0.446 176.549 176.094 0.014 0.000 1.115 366 V CA -0.666 61.659 62.300 0.042 0.000 0.998 366 V CB 1.988 33.851 31.823 0.066 0.000 1.042 366 V HN 0.776 nan 8.190 nan 0.000 0.433 367 E N 1.584 121.789 120.200 0.009 0.000 2.299 367 E HA 0.092 4.443 4.350 0.002 0.000 0.193 367 E C 0.202 176.792 176.600 -0.018 0.000 0.998 367 E CA 1.086 57.482 56.400 -0.007 0.000 0.851 367 E CB 0.373 30.070 29.700 -0.006 0.000 0.795 367 E HN 0.966 nan 8.360 nan 0.000 0.492 368 E N -0.150 120.040 120.200 -0.017 0.000 2.388 368 E HA 0.431 4.782 4.350 0.002 0.000 0.280 368 E C -1.358 175.218 176.600 -0.040 0.000 1.019 368 E CA -0.766 55.611 56.400 -0.038 0.000 0.806 368 E CB 1.184 30.848 29.700 -0.060 0.000 1.246 368 E HN -0.201 nan 8.360 nan 0.000 0.443 369 L N 2.103 123.294 121.223 -0.054 0.000 2.372 369 L HA 0.477 4.818 4.340 0.002 0.000 0.274 369 L C -0.199 176.606 176.870 -0.109 0.000 0.988 369 L CA -0.639 54.167 54.840 -0.056 0.000 0.833 369 L CB 1.193 43.238 42.059 -0.022 0.000 1.236 369 L HN 0.620 nan 8.230 nan 0.000 0.410 370 K N 1.431 121.709 120.400 -0.204 0.000 2.416 370 K HA 0.815 5.136 4.320 0.002 0.000 0.244 370 K C -0.124 176.400 176.600 -0.126 0.000 1.044 370 K CA -1.010 55.098 56.287 -0.299 0.000 0.972 370 K CB 0.869 32.875 32.500 -0.823 0.000 1.286 370 K HN 0.578 nan 8.250 nan 0.000 0.500 371 A N 0.234 123.020 122.820 -0.056 0.000 2.546 371 A HA 0.382 4.703 4.320 0.002 0.000 0.243 371 A C 1.049 178.719 177.584 0.143 0.000 1.063 371 A CA 1.030 53.102 52.037 0.058 0.000 0.757 371 A CB -1.075 17.987 19.000 0.103 0.000 0.991 371 A HN 0.888 nan 8.150 nan 0.000 0.503 372 G N 1.611 110.434 108.800 0.037 0.000 2.218 372 G HA2 -0.161 3.800 3.960 0.002 0.000 0.216 372 G HA3 -0.161 3.800 3.960 0.002 0.000 0.216 372 G C 0.041 174.932 174.900 -0.014 0.000 0.994 372 G CA 0.324 45.438 45.100 0.023 0.000 0.637 372 G HN 0.831 nan 8.290 nan 0.000 0.505 373 D N -0.223 120.178 120.400 0.001 0.000 2.384 373 D HA 0.813 5.454 4.640 0.002 0.000 0.250 373 D C -0.081 176.205 176.300 -0.023 0.000 1.029 373 D CA -0.123 53.883 54.000 0.011 0.000 0.990 373 D CB 1.712 42.556 40.800 0.073 0.000 1.175 373 D HN 0.164 nan 8.370 nan 0.000 0.532 374 L N -0.256 120.978 121.223 0.018 0.000 2.393 374 L HA 0.811 5.152 4.340 0.002 0.000 0.260 374 L C 0.523 177.464 176.870 0.119 0.000 1.002 374 L CA -0.447 54.449 54.840 0.092 0.000 0.818 374 L CB 2.423 44.554 42.059 0.119 0.000 1.369 374 L HN 0.565 nan 8.230 nan 0.000 0.412 375 G N 0.082 108.994 108.800 0.186 0.000 2.348 375 G HA2 0.728 4.689 3.960 0.002 0.000 0.296 375 G HA3 0.728 4.689 3.960 0.002 0.000 0.296 375 G C -2.269 172.675 174.900 0.074 0.000 1.258 375 G CA 0.049 45.235 45.100 0.142 0.000 0.868 375 G HN 0.790 nan 8.290 nan 0.000 0.488 376 A N -1.065 121.676 122.820 -0.133 0.000 2.386 376 A HA 0.889 5.210 4.320 0.002 0.000 0.311 376 A C -0.548 176.876 177.584 -0.266 0.000 1.068 376 A CA -0.149 51.613 52.037 -0.458 0.000 0.743 376 A CB 1.777 20.296 19.000 -0.802 0.000 1.258 376 A HN 2.195 nan 8.150 nan 0.000 0.429 377 V N 2.091 121.847 119.914 -0.264 0.000 2.581 377 V HA 0.825 4.946 4.120 0.002 0.000 0.303 377 V C -0.706 175.285 176.094 -0.172 0.000 1.041 377 V CA -0.438 61.761 62.300 -0.169 0.000 0.907 377 V CB 1.573 33.329 31.823 -0.111 0.000 0.994 377 V HN 0.803 nan 8.190 nan 0.000 0.442 378 V N 5.942 125.782 119.914 -0.124 0.000 2.630 378 V HA 1.019 5.140 4.120 0.002 0.000 0.305 378 V C 0.973 177.019 176.094 -0.081 0.000 1.046 378 V CA 0.647 62.888 62.300 -0.098 0.000 0.934 378 V CB 0.549 32.327 31.823 -0.074 0.000 1.003 378 V HN 1.846 nan 8.190 nan 0.000 0.451 379 G N 2.356 111.115 108.800 -0.069 0.000 2.416 379 G HA2 0.202 4.163 3.960 0.002 0.000 0.203 379 G HA3 0.202 4.163 3.960 0.002 0.000 0.203 379 G C -0.819 174.047 174.900 -0.057 0.000 1.227 379 G CA -0.614 44.449 45.100 -0.061 0.000 1.041 379 G HN 1.529 nan 8.290 nan 0.000 0.546 380 L N -0.810 120.385 121.223 -0.048 0.000 2.975 380 L HA -0.102 4.239 4.340 0.002 0.000 0.628 380 L C 1.539 178.386 176.870 -0.039 0.000 1.006 380 L CA 1.328 56.142 54.840 -0.044 0.000 1.321 380 L CB -0.818 41.206 42.059 -0.058 0.000 1.705 380 L HN 0.848 nan 8.230 nan 0.000 0.822 381 K N 1.387 121.770 120.400 -0.029 0.000 2.214 381 K HA 0.205 4.526 4.320 0.002 0.000 0.201 381 K C 1.093 177.676 176.600 -0.029 0.000 1.049 381 K CA 0.906 57.178 56.287 -0.026 0.000 0.978 381 K CB 0.310 32.800 32.500 -0.017 0.000 0.842 381 K HN 0.554 nan 8.250 nan 0.000 0.474 382 E N 1.099 121.280 120.200 -0.031 0.000 2.624 382 E HA 0.109 4.460 4.350 0.002 0.000 0.210 382 E C -0.593 175.981 176.600 -0.042 0.000 0.997 382 E CA 0.034 56.413 56.400 -0.035 0.000 0.999 382 E CB 0.871 30.550 29.700 -0.034 0.000 1.040 382 E HN 0.017 nan 8.360 nan 0.000 0.469 383 T N 1.976 116.506 114.554 -0.041 0.000 2.749 383 T HA 0.344 4.695 4.350 0.002 0.000 0.295 383 T C 0.388 175.068 174.700 -0.034 0.000 0.936 383 T CA -0.209 61.866 62.100 -0.041 0.000 1.060 383 T CB 0.226 69.070 68.868 -0.040 0.000 0.904 383 T HN 0.130 nan 8.240 nan 0.000 0.500 384 I N 0.532 121.086 120.570 -0.027 0.000 3.133 384 I HA 0.746 4.917 4.170 0.002 0.000 0.311 384 I C 0.518 176.634 176.117 -0.002 0.000 1.072 384 I CA -1.040 60.249 61.300 -0.017 0.000 1.015 384 I CB 1.139 39.127 38.000 -0.021 0.000 1.233 384 I HN 0.479 nan 8.210 nan 0.000 0.473 385 T N 0.546 115.106 114.554 0.011 0.000 2.918 385 T HA 0.479 4.830 4.350 0.002 0.000 0.302 385 T C 1.019 175.745 174.700 0.043 0.000 1.045 385 T CA 0.418 62.537 62.100 0.033 0.000 1.114 385 T CB 0.374 69.268 68.868 0.044 0.000 0.965 385 T HN 2.118 nan 8.240 nan 0.000 0.540 386 G N 2.913 111.752 108.800 0.064 0.000 2.217 386 G HA2 -0.190 3.771 3.960 0.002 0.000 0.246 386 G HA3 -0.190 3.771 3.960 0.002 0.000 0.246 386 G C -0.220 174.705 174.900 0.041 0.000 0.990 386 G CA 0.079 45.213 45.100 0.056 0.000 0.627 386 G HN 0.861 nan 8.290 nan 0.000 0.522 387 D N 1.673 122.092 120.400 0.031 0.000 2.350 387 D HA 0.510 5.151 4.640 0.002 0.000 0.249 387 D C 0.743 177.061 176.300 0.031 0.000 1.119 387 D CA 0.513 54.521 54.000 0.013 0.000 0.886 387 D CB 1.015 41.808 40.800 -0.011 0.000 1.195 387 D HN 0.119 nan 8.370 nan 0.000 0.437 388 T N 2.198 116.765 114.554 0.022 0.000 2.897 388 T HA 0.343 4.694 4.350 0.002 0.000 0.294 388 T C -0.052 174.665 174.700 0.029 0.000 1.004 388 T CA -0.493 61.631 62.100 0.040 0.000 1.106 388 T CB 0.541 69.429 68.868 0.034 0.000 0.949 388 T HN 0.016 nan 8.240 nan 0.000 0.520 389 L N 4.071 125.329 121.223 0.058 0.000 2.333 389 L HA 0.669 5.010 4.340 0.002 0.000 0.280 389 L C -0.008 176.916 176.870 0.090 0.000 1.004 389 L CA -0.572 54.303 54.840 0.057 0.000 0.820 389 L CB 1.530 43.621 42.059 0.052 0.000 1.247 389 L HN 0.588 nan 8.230 nan 0.000 0.416 390 V N -0.076 119.911 119.914 0.123 0.000 3.155 390 V HA 0.835 4.956 4.120 0.002 0.000 0.313 390 V C 1.056 177.230 176.094 0.134 0.000 1.162 390 V CA -0.091 62.288 62.300 0.132 0.000 1.048 390 V CB 0.921 32.831 31.823 0.144 0.000 1.092 390 V HN 0.698 nan 8.190 nan 0.000 0.447 391 G N -0.050 108.809 108.800 0.098 0.000 2.719 391 G HA2 -0.244 3.717 3.960 0.002 0.000 0.219 391 G HA3 -0.244 3.717 3.960 0.002 0.000 0.219 391 G C 0.852 175.811 174.900 0.098 0.000 1.234 391 G CA 2.612 47.760 45.100 0.080 0.000 0.788 391 G HN 1.780 nan 8.290 nan 0.000 0.619 392 E N -3.608 116.639 120.200 0.078 0.000 3.048 392 E HA -0.133 4.218 4.350 0.002 0.000 0.143 392 E C -0.373 176.192 176.600 -0.058 0.000 0.629 392 E CA 0.740 57.165 56.400 0.041 0.000 2.841 392 E CB -1.118 28.623 29.700 0.069 0.000 2.235 392 E HN 0.283 nan 8.360 nan 0.000 0.764 393 D N 1.224 121.606 120.400 -0.031 0.000 2.670 393 D HA 0.455 5.096 4.640 0.002 0.000 0.255 393 D C -0.358 175.924 176.300 -0.029 0.000 1.286 393 D CA 0.648 54.617 54.000 -0.052 0.000 0.830 393 D CB 1.121 41.898 40.800 -0.037 0.000 1.065 393 D HN 0.322 nan 8.370 nan 0.000 0.486 394 A N 1.077 123.889 122.820 -0.013 0.000 2.311 394 A HA 0.670 4.991 4.320 0.002 0.000 0.334 394 A C -2.465 175.123 177.584 0.006 0.000 1.139 394 A CA -1.509 50.534 52.037 0.010 0.000 0.830 394 A CB 0.624 19.646 19.000 0.037 0.000 1.234 394 A HN -0.147 nan 8.150 nan 0.000 0.483 395 P HA 0.187 nan 4.420 nan 0.000 0.261 395 P C -0.714 176.607 177.300 0.034 0.000 1.183 395 P CA 0.216 63.325 63.100 0.015 0.000 0.761 395 P CB 0.225 31.937 31.700 0.019 0.000 0.785 396 R N 2.628 123.149 120.500 0.036 0.000 2.309 396 R HA 0.241 4.582 4.340 0.002 0.000 0.331 396 R C 0.018 176.356 176.300 0.064 0.000 1.116 396 R CA -0.192 55.958 56.100 0.083 0.000 0.970 396 R CB -0.593 29.767 30.300 0.100 0.000 1.024 396 R HN 0.314 nan 8.270 nan 0.000 0.472 397 V N 0.682 120.632 119.914 0.060 0.000 2.769 397 V HA 0.655 4.776 4.120 0.002 0.000 0.312 397 V C 0.165 176.277 176.094 0.030 0.000 1.058 397 V CA -1.008 61.311 62.300 0.032 0.000 0.952 397 V CB 2.067 33.898 31.823 0.012 0.000 1.019 397 V HN 0.480 nan 8.190 nan 0.000 0.445 398 I N 3.025 123.600 120.570 0.009 0.000 2.433 398 I HA 0.358 4.529 4.170 0.002 0.000 0.292 398 I C 0.095 176.196 176.117 -0.026 0.000 1.001 398 I CA -0.536 60.764 61.300 -0.000 0.000 1.119 398 I CB 2.055 40.057 38.000 0.002 0.000 1.289 398 I HN 0.507 nan 8.210 nan 0.000 0.438 399 L N 4.302 125.506 121.223 -0.032 0.000 2.470 399 L HA 0.317 4.658 4.340 0.002 0.000 0.219 399 L C 0.490 177.322 176.870 -0.062 0.000 1.071 399 L CA 1.030 55.827 54.840 -0.072 0.000 0.850 399 L CB -0.219 41.790 42.059 -0.082 0.000 1.040 399 L HN 0.513 nan 8.230 nan 0.000 0.475 400 E N -0.502 119.678 120.200 -0.033 0.000 2.210 400 E HA 0.299 4.650 4.350 0.002 0.000 0.266 400 E C -0.160 176.428 176.600 -0.020 0.000 0.883 400 E CA -0.398 55.985 56.400 -0.027 0.000 0.761 400 E CB 1.909 31.602 29.700 -0.011 0.000 1.156 400 E HN 0.084 nan 8.360 nan 0.000 0.412 401 S N 3.446 119.131 115.700 -0.024 0.000 2.558 401 S HA 0.039 4.510 4.470 0.002 0.000 0.291 401 S C 0.598 175.193 174.600 -0.007 0.000 1.306 401 S CA -0.500 57.690 58.200 -0.017 0.000 1.056 401 S CB 0.291 63.478 63.200 -0.022 0.000 0.836 401 S HN 0.408 nan 8.310 nan 0.000 0.504 402 I N 3.668 124.237 120.570 -0.002 0.000 2.517 402 I HA 0.234 4.405 4.170 0.002 0.000 0.285 402 I C 0.129 176.252 176.117 0.010 0.000 1.106 402 I CA 0.702 62.005 61.300 0.003 0.000 1.402 402 I CB -0.828 37.176 38.000 0.005 0.000 1.399 402 I HN 1.009 nan 8.210 nan 0.000 0.535 403 E N 4.549 124.756 120.200 0.012 0.000 3.260 403 E HA 0.223 4.574 4.350 0.002 0.000 0.328 403 E C -1.720 174.892 176.600 0.020 0.000 1.112 403 E CA -0.793 55.620 56.400 0.023 0.000 0.898 403 E CB 0.058 29.778 29.700 0.033 0.000 1.191 403 E HN 0.113 nan 8.360 nan 0.000 0.480 404 V N 1.767 121.690 119.914 0.015 0.000 2.333 404 V HA 0.610 4.731 4.120 0.002 0.000 0.274 404 V C -1.871 174.227 176.094 0.006 0.000 1.028 404 V CA -1.633 60.672 62.300 0.008 0.000 0.851 404 V CB 0.497 32.313 31.823 -0.012 0.000 1.000 404 V HN 0.718 nan 8.190 nan 0.000 0.456 405 P HA 0.245 nan 4.420 nan 0.000 0.276 405 P C -0.039 177.199 177.300 -0.104 0.000 1.235 405 P CA -0.223 62.903 63.100 0.044 0.000 0.772 405 P CB 0.841 32.615 31.700 0.123 0.000 0.871 406 E N 4.005 123.983 120.200 -0.370 0.000 2.437 406 E HA 0.024 4.375 4.350 0.002 0.000 0.263 406 E C -1.889 174.481 176.600 -0.383 0.000 1.030 406 E CA -0.940 55.131 56.400 -0.548 0.000 0.934 406 E CB -0.123 28.892 29.700 -1.141 0.000 0.943 406 E HN 0.400 nan 8.360 nan 0.000 0.444 407 P HA 0.040 nan 4.420 nan 0.000 0.286 407 P C 0.236 177.424 177.300 -0.186 0.000 1.321 407 P CA -0.009 62.982 63.100 -0.182 0.000 0.790 407 P CB 0.426 32.057 31.700 -0.115 0.000 0.897 408 V N 1.821 121.630 119.914 -0.175 0.000 3.078 408 V HA 0.440 4.561 4.120 0.002 0.000 0.344 408 V C -0.025 175.988 176.094 -0.134 0.000 1.409 408 V CA 0.047 62.252 62.300 -0.159 0.000 1.146 408 V CB 0.002 31.734 31.823 -0.151 0.000 1.126 408 V HN 0.250 nan 8.190 nan 0.000 0.513 409 I N 1.986 122.499 120.570 -0.094 0.000 2.540 409 I HA 0.518 4.689 4.170 0.002 0.000 0.280 409 I C -0.813 175.319 176.117 0.024 0.000 1.083 409 I CA 0.016 61.300 61.300 -0.027 0.000 1.080 409 I CB 1.716 39.708 38.000 -0.014 0.000 1.205 409 I HN 0.250 nan 8.210 nan 0.000 0.459 410 D N 4.629 125.067 120.400 0.062 0.000 2.433 410 D HA 0.597 5.238 4.640 0.002 0.000 0.255 410 D C -0.233 176.138 176.300 0.119 0.000 1.226 410 D CA -0.210 53.844 54.000 0.090 0.000 1.015 410 D CB 2.670 43.544 40.800 0.124 0.000 1.091 410 D HN 0.105 nan 8.370 nan 0.000 0.527 411 V N -0.336 119.635 119.914 0.096 0.000 3.036 411 V HA 0.426 4.547 4.120 0.002 0.000 0.288 411 V C -1.136 174.984 176.094 0.043 0.000 1.407 411 V CA -0.816 61.525 62.300 0.069 0.000 0.983 411 V CB 1.994 33.848 31.823 0.053 0.000 1.128 411 V HN 0.753 nan 8.190 nan 0.000 0.439 412 A N 5.250 128.081 122.820 0.018 0.000 2.316 412 A HA 0.904 5.225 4.320 0.002 0.000 0.284 412 A C -0.642 176.943 177.584 0.001 0.000 1.115 412 A CA -0.348 51.690 52.037 0.001 0.000 0.812 412 A CB 0.819 19.804 19.000 -0.025 0.000 1.064 412 A HN 1.024 nan 8.150 nan 0.000 0.489 413 I N 1.198 121.769 120.570 0.003 0.000 2.529 413 I HA 0.284 4.455 4.170 0.002 0.000 0.284 413 I C -0.669 175.449 176.117 0.002 0.000 1.088 413 I CA -0.118 61.183 61.300 0.001 0.000 1.062 413 I CB 1.202 39.203 38.000 0.002 0.000 1.218 413 I HN 0.813 nan 8.210 nan 0.000 0.442 414 E N 9.145 129.344 120.200 -0.000 0.000 2.109 414 E HA 0.377 4.728 4.350 0.002 0.000 0.278 414 E C -2.026 174.577 176.600 0.005 0.000 0.954 414 E CA -1.999 54.402 56.400 0.002 0.000 0.779 414 E CB 1.559 31.258 29.700 -0.001 0.000 1.093 414 E HN 0.402 nan 8.360 nan 0.000 0.401 415 P HA 0.013 nan 4.420 nan 0.000 0.220 415 P C -0.012 177.297 177.300 0.015 0.000 1.154 415 P CA 0.742 63.850 63.100 0.013 0.000 0.830 415 P CB 0.830 32.539 31.700 0.015 0.000 0.803 416 K N -2.675 117.733 120.400 0.013 0.000 8.044 416 K HA -0.038 4.283 4.320 0.002 0.000 0.221 416 K C 0.760 177.367 176.600 0.012 0.000 1.549 416 K CA 1.257 57.550 56.287 0.011 0.000 1.032 416 K CB -1.826 30.681 32.500 0.012 0.000 0.381 416 K HN 0.276 nan 8.250 nan 0.000 0.461 417 T N -0.018 114.545 114.554 0.015 0.000 2.849 417 T HA 0.438 4.789 4.350 0.002 0.000 0.272 417 T C 0.692 175.403 174.700 0.018 0.000 1.046 417 T CA -0.739 61.370 62.100 0.015 0.000 0.983 417 T CB 1.168 70.045 68.868 0.014 0.000 1.721 417 T HN 0.083 nan 8.240 nan 0.000 0.594 418 K N 0.091 120.501 120.400 0.018 0.000 2.404 418 K HA 0.376 4.697 4.320 0.002 0.000 0.194 418 K C 1.209 177.825 176.600 0.026 0.000 1.023 418 K CA 0.158 56.457 56.287 0.020 0.000 1.094 418 K CB 0.267 32.777 32.500 0.017 0.000 0.841 418 K HN 0.655 nan 8.250 nan 0.000 0.523 419 A N 0.561 123.398 122.820 0.028 0.000 2.460 419 A HA 0.114 4.435 4.320 0.002 0.000 0.258 419 A C 0.613 178.227 177.584 0.050 0.000 1.300 419 A CA 0.102 52.161 52.037 0.037 0.000 0.913 419 A CB 0.245 19.263 19.000 0.029 0.000 1.031 419 A HN 0.018 nan 8.150 nan 0.000 0.512 420 D N -1.995 118.432 120.400 0.046 0.000 2.829 420 D HA -0.027 4.614 4.640 0.002 0.000 0.250 420 D C 1.529 177.852 176.300 0.039 0.000 1.304 420 D CA 0.115 54.145 54.000 0.050 0.000 1.197 420 D CB 0.028 40.850 40.800 0.037 0.000 1.501 420 D HN 0.124 nan 8.370 nan 0.000 0.424 421 Q N 1.395 121.211 119.800 0.027 0.000 2.045 421 Q HA -0.172 4.169 4.340 0.002 0.000 0.206 421 Q C 1.833 177.845 176.000 0.019 0.000 0.991 421 Q CA 1.455 57.269 55.803 0.019 0.000 0.851 421 Q CB -0.212 28.536 28.738 0.017 0.000 0.911 421 Q HN 0.469 nan 8.270 nan 0.000 0.418 422 E N 0.585 120.802 120.200 0.027 0.000 2.110 422 E HA -0.178 4.173 4.350 0.002 0.000 0.193 422 E C 0.863 177.488 176.600 0.042 0.000 0.988 422 E CA 1.208 57.626 56.400 0.030 0.000 0.804 422 E CB -0.020 29.701 29.700 0.034 0.000 0.745 422 E HN 0.251 nan 8.360 nan 0.000 0.458 423 K N 0.121 120.561 120.400 0.066 0.000 3.095 423 K HA 0.207 4.528 4.320 0.002 0.000 0.220 423 K C 0.563 177.195 176.600 0.052 0.000 1.216 423 K CA 0.001 56.357 56.287 0.115 0.000 1.167 423 K CB 0.616 33.259 32.500 0.237 0.000 1.199 423 K HN 0.009 nan 8.250 nan 0.000 0.458 424 L N -0.407 120.799 121.223 -0.027 0.000 2.600 424 L HA 0.127 4.468 4.340 0.002 0.000 0.213 424 L C 1.870 178.662 176.870 -0.130 0.000 1.045 424 L CA 0.829 55.618 54.840 -0.085 0.000 0.863 424 L CB 0.046 42.088 42.059 -0.028 0.000 1.189 424 L HN 0.406 nan 8.230 nan 0.000 0.484 425 S N -0.845 114.812 115.700 -0.072 0.000 2.420 425 S HA -0.302 4.169 4.470 0.002 0.000 0.237 425 S C 1.842 176.378 174.600 -0.105 0.000 1.023 425 S CA 1.600 59.762 58.200 -0.063 0.000 0.991 425 S CB -0.662 62.523 63.200 -0.025 0.000 0.792 425 S HN 0.614 nan 8.310 nan 0.000 0.488 426 Q N 1.012 120.725 119.800 -0.146 0.000 2.135 426 Q HA 0.019 4.360 4.340 0.002 0.000 0.204 426 Q C 1.075 176.864 176.000 -0.352 0.000 0.981 426 Q CA 1.390 57.090 55.803 -0.172 0.000 0.856 426 Q CB -0.221 28.484 28.738 -0.055 0.000 0.902 426 Q HN 0.787 nan 8.270 nan 0.000 0.425 427 A N -0.678 121.791 122.820 -0.584 0.000 3.214 427 A HA 0.421 4.742 4.320 0.002 0.000 0.304 427 A C 0.083 177.535 177.584 -0.219 0.000 0.969 427 A CA -0.278 51.459 52.037 -0.499 0.000 0.986 427 A CB 0.316 18.750 19.000 -0.942 0.000 1.073 427 A HN 0.324 nan 8.150 nan 0.000 0.487 428 L N -1.154 120.009 121.223 -0.099 0.000 2.463 428 L HA 0.283 4.624 4.340 0.002 0.000 0.208 428 L C 1.997 178.888 176.870 0.035 0.000 1.082 428 L CA 0.875 55.740 54.840 0.042 0.000 0.997 428 L CB 0.141 42.228 42.059 0.046 0.000 1.953 428 L HN 0.393 nan 8.230 nan 0.000 0.499 429 A N -0.297 122.515 122.820 -0.014 0.000 2.291 429 A HA 0.088 4.409 4.320 0.002 0.000 0.220 429 A C 1.816 179.380 177.584 -0.033 0.000 1.262 429 A CA 0.492 52.512 52.037 -0.029 0.000 0.867 429 A CB -0.402 18.583 19.000 -0.025 0.000 0.888 429 A HN 0.311 nan 8.150 nan 0.000 0.487 430 R N -1.633 118.845 120.500 -0.035 0.000 2.444 430 R HA 0.244 4.585 4.340 0.002 0.000 0.201 430 R C 1.414 177.712 176.300 -0.004 0.000 0.861 430 R CA 0.200 56.287 56.100 -0.022 0.000 1.034 430 R CB -0.015 30.272 30.300 -0.020 0.000 1.347 430 R HN 0.462 nan 8.270 nan 0.000 0.659 431 L N 1.161 122.389 121.223 0.009 0.000 2.465 431 L HA 0.129 4.470 4.340 0.002 0.000 0.224 431 L C 1.851 178.783 176.870 0.104 0.000 1.145 431 L CA 1.122 56.002 54.840 0.066 0.000 0.834 431 L CB 0.053 42.161 42.059 0.082 0.000 0.944 431 L HN 0.195 nan 8.230 nan 0.000 0.451 432 A N -1.042 121.792 122.820 0.023 0.000 2.167 432 A HA -0.104 4.217 4.320 0.002 0.000 0.214 432 A C 1.965 179.484 177.584 -0.109 0.000 1.151 432 A CA 0.771 52.718 52.037 -0.151 0.000 0.735 432 A CB -0.300 18.481 19.000 -0.365 0.000 0.802 432 A HN 0.501 nan 8.150 nan 0.000 0.467 433 E N -0.230 119.941 120.200 -0.048 0.000 2.409 433 E HA -0.144 4.207 4.350 0.002 0.000 0.198 433 E C 1.599 178.192 176.600 -0.012 0.000 1.024 433 E CA 1.169 57.549 56.400 -0.034 0.000 0.861 433 E CB 0.029 29.717 29.700 -0.020 0.000 0.788 433 E HN 0.769 nan 8.360 nan 0.000 0.521 434 E N -0.224 119.985 120.200 0.016 0.000 2.206 434 E HA -0.004 4.347 4.350 0.002 0.000 0.195 434 E C 0.019 176.652 176.600 0.054 0.000 0.935 434 E CA 0.398 56.821 56.400 0.037 0.000 0.875 434 E CB 0.538 30.272 29.700 0.057 0.000 0.841 434 E HN -0.049 nan 8.360 nan 0.000 0.477 435 D N 0.435 120.890 120.400 0.091 0.000 2.408 435 D HA 0.118 4.759 4.640 0.002 0.000 0.261 435 D C -2.231 174.062 176.300 -0.012 0.000 1.190 435 D CA -2.125 51.951 54.000 0.127 0.000 0.910 435 D CB 1.270 42.235 40.800 0.275 0.000 1.097 435 D HN -0.143 nan 8.370 nan 0.000 0.522 436 P HA 0.044 nan 4.420 nan 0.000 0.257 436 P C 1.019 178.225 177.300 -0.157 0.000 1.325 436 P CA 0.169 63.143 63.100 -0.209 0.000 0.850 436 P CB 0.146 31.770 31.700 -0.127 0.000 1.324 437 T N -2.806 111.739 114.554 -0.015 0.000 2.951 437 T HA -0.035 4.316 4.350 0.002 0.000 0.268 437 T C 0.740 175.475 174.700 0.059 0.000 1.073 437 T CA 0.170 62.307 62.100 0.061 0.000 1.134 437 T CB -1.016 67.968 68.868 0.194 0.000 0.884 437 T HN 0.123 nan 8.240 nan 0.000 0.479 438 F N 0.875 120.842 119.950 0.028 0.000 2.408 438 F HA 0.878 5.406 4.527 0.002 0.000 0.325 438 F C 0.114 175.904 175.800 -0.017 0.000 1.082 438 F CA -1.847 56.146 58.000 -0.011 0.000 1.032 438 F CB 0.801 39.827 39.000 0.042 0.000 1.259 438 F HN -0.225 nan 8.300 nan 0.000 0.503 439 R N 0.631 121.243 120.500 0.185 0.000 2.888 439 R HA 0.839 5.180 4.340 0.002 0.000 0.266 439 R C -1.761 174.656 176.300 0.195 0.000 1.020 439 R CA -0.877 55.264 56.100 0.068 0.000 0.963 439 R CB 2.348 32.650 30.300 0.004 0.000 1.197 439 R HN 0.704 nan 8.270 nan 0.000 0.481 440 V N 1.039 121.018 119.914 0.108 0.000 2.876 440 V HA 0.725 4.846 4.120 0.002 0.000 0.312 440 V C -0.466 175.663 176.094 0.058 0.000 1.085 440 V CA -0.392 61.975 62.300 0.112 0.000 0.945 440 V CB 1.872 33.772 31.823 0.128 0.000 1.017 440 V HN 1.051 nan 8.190 nan 0.000 0.428 441 S N 1.694 117.430 115.700 0.060 0.000 3.576 441 S HA 0.754 5.225 4.470 0.002 0.000 0.321 441 S C -0.699 173.937 174.600 0.059 0.000 1.174 441 S CA -0.529 57.700 58.200 0.047 0.000 1.102 441 S CB 2.243 65.468 63.200 0.043 0.000 1.467 441 S HN 0.683 nan 8.310 nan 0.000 0.701 442 T N 1.433 116.028 114.554 0.069 0.000 4.096 442 T HA 0.299 4.650 4.350 0.002 0.000 0.336 442 T C -1.214 173.552 174.700 0.110 0.000 0.820 442 T CA -0.450 61.699 62.100 0.081 0.000 0.986 442 T CB 0.121 69.017 68.868 0.047 0.000 1.077 442 T HN 0.657 nan 8.240 nan 0.000 0.466 443 H N 4.897 123.993 119.070 0.043 0.000 3.134 443 H HA -0.033 4.524 4.556 0.002 0.000 0.326 443 H C -1.249 174.099 175.328 0.033 0.000 1.017 443 H CA -0.201 55.879 56.048 0.055 0.000 1.359 443 H CB 1.181 30.977 29.762 0.056 0.000 1.300 443 H HN 0.315 nan 8.280 nan 0.000 0.596 444 P HA -0.160 nan 4.420 nan 0.000 0.216 444 P C 1.129 178.421 177.300 -0.014 0.000 1.150 444 P CA 1.335 64.380 63.100 -0.091 0.000 0.837 444 P CB 0.341 31.951 31.700 -0.150 0.000 0.786 445 E N 0.252 120.483 120.200 0.051 0.000 2.022 445 E HA -0.041 4.310 4.350 0.002 0.000 0.190 445 E C 0.378 177.035 176.600 0.095 0.000 0.973 445 E CA 0.833 57.284 56.400 0.084 0.000 0.816 445 E CB -0.502 29.266 29.700 0.114 0.000 0.781 445 E HN 0.138 nan 8.360 nan 0.000 0.456 446 T N -0.464 114.180 114.554 0.150 0.000 2.738 446 T HA 0.375 4.726 4.350 0.002 0.000 0.293 446 T C 0.540 175.287 174.700 0.079 0.000 0.913 446 T CA -0.271 61.880 62.100 0.086 0.000 1.103 446 T CB 1.032 69.926 68.868 0.043 0.000 0.880 446 T HN 0.268 nan 8.240 nan 0.000 0.526 447 G N 4.034 112.862 108.800 0.047 0.000 2.563 447 G HA2 0.459 4.420 3.960 0.002 0.000 0.295 447 G HA3 0.459 4.420 3.960 0.002 0.000 0.295 447 G C -0.066 174.855 174.900 0.034 0.000 0.874 447 G CA -0.513 44.610 45.100 0.037 0.000 1.642 447 G HN 1.034 nan 8.290 nan 0.000 0.483 448 Q N 0.096 119.922 119.800 0.043 0.000 2.776 448 Q HA 0.647 4.988 4.340 0.002 0.000 0.347 448 Q C -0.927 175.099 176.000 0.042 0.000 0.749 448 Q CA -1.079 54.745 55.803 0.035 0.000 0.866 448 Q CB 0.601 29.355 28.738 0.027 0.000 1.270 448 Q HN 0.180 nan 8.270 nan 0.000 0.512 449 T N 0.261 114.837 114.554 0.037 0.000 2.807 449 T HA 0.755 5.106 4.350 0.002 0.000 0.279 449 T C -0.468 174.262 174.700 0.050 0.000 0.993 449 T CA -0.683 61.442 62.100 0.043 0.000 0.970 449 T CB 0.832 69.719 68.868 0.031 0.000 0.950 449 T HN 0.426 nan 8.240 nan 0.000 0.441 450 I N 3.042 123.653 120.570 0.069 0.000 2.465 450 I HA 0.512 4.683 4.170 0.002 0.000 0.291 450 I C -0.380 175.783 176.117 0.077 0.000 1.014 450 I CA -1.106 60.242 61.300 0.080 0.000 1.093 450 I CB 1.692 39.768 38.000 0.126 0.000 1.267 450 I HN 0.696 nan 8.210 nan 0.000 0.431 451 I N 4.545 125.153 120.570 0.063 0.000 2.530 451 I HA 0.405 4.576 4.170 0.002 0.000 0.297 451 I C -0.301 175.847 176.117 0.052 0.000 1.011 451 I CA -0.222 61.114 61.300 0.059 0.000 1.107 451 I CB 2.215 40.213 38.000 -0.004 0.000 1.285 451 I HN 0.672 nan 8.210 nan 0.000 0.436 452 S N 3.520 119.264 115.700 0.073 0.000 2.733 452 S HA 0.763 5.234 4.470 0.002 0.000 0.294 452 S C -0.317 174.287 174.600 0.005 0.000 1.149 452 S CA -0.711 57.510 58.200 0.034 0.000 1.034 452 S CB 1.556 64.771 63.200 0.025 0.000 1.015 452 S HN 0.796 nan 8.310 nan 0.000 0.486 453 G N 1.915 110.650 108.800 -0.108 0.000 3.194 453 G HA2 0.688 4.649 3.960 0.002 0.000 0.160 453 G HA3 0.688 4.649 3.960 0.002 0.000 0.160 453 G C 0.058 174.726 174.900 -0.386 0.000 1.267 453 G CA -0.774 44.095 45.100 -0.385 0.000 0.962 453 G HN 0.976 nan 8.290 nan 0.000 0.612 454 M N -1.518 117.808 119.600 -0.457 0.000 4.307 454 M HA 0.562 5.043 4.480 0.002 0.000 0.538 454 M C -0.167 176.116 176.300 -0.029 0.000 1.979 454 M CA -0.247 54.942 55.300 -0.185 0.000 0.596 454 M CB 1.129 33.651 32.600 -0.131 0.000 1.471 454 M HN 1.265 nan 8.290 nan 0.000 0.585 455 G N 0.090 108.878 108.800 -0.019 0.000 2.352 455 G HA2 0.020 3.981 3.960 0.002 0.000 0.303 455 G HA3 0.020 3.981 3.960 0.002 0.000 0.303 455 G C -0.338 174.602 174.900 0.066 0.000 1.593 455 G CA -0.365 44.748 45.100 0.020 0.000 0.963 455 G HN 0.267 nan 8.290 nan 0.000 0.685 456 E N 0.190 120.423 120.200 0.055 0.000 2.086 456 E HA -0.180 4.171 4.350 0.002 0.000 0.200 456 E C 2.334 179.033 176.600 0.164 0.000 1.012 456 E CA 1.863 58.349 56.400 0.143 0.000 0.812 456 E CB -0.047 29.767 29.700 0.191 0.000 0.743 456 E HN 0.535 nan 8.360 nan 0.000 0.453 457 L N 0.236 121.544 121.223 0.141 0.000 1.994 457 L HA -0.213 4.128 4.340 0.002 0.000 0.208 457 L C 2.916 179.863 176.870 0.129 0.000 1.071 457 L CA 1.552 56.466 54.840 0.123 0.000 0.745 457 L CB -0.923 41.179 42.059 0.071 0.000 0.892 457 L HN 0.305 nan 8.230 nan 0.000 0.431 458 H N 0.550 119.644 119.070 0.041 0.000 2.368 458 H HA -0.233 4.323 4.556 0.002 0.000 0.292 458 H C 2.060 177.398 175.328 0.017 0.000 1.117 458 H CA 2.296 58.363 56.048 0.032 0.000 1.231 458 H CB 0.061 29.847 29.762 0.040 0.000 1.359 458 H HN 0.204 nan 8.280 nan 0.000 0.490 459 L N 0.508 121.871 121.223 0.233 0.000 2.354 459 L HA -0.013 4.328 4.340 0.002 0.000 0.212 459 L C 2.538 179.463 176.870 0.090 0.000 1.091 459 L CA 0.456 55.382 54.840 0.144 0.000 0.828 459 L CB -0.190 41.938 42.059 0.116 0.000 0.973 459 L HN 0.048 nan 8.230 nan 0.000 0.461 460 E N 0.469 120.734 120.200 0.109 0.000 2.171 460 E HA -0.242 4.109 4.350 0.002 0.000 0.197 460 E C 2.142 178.797 176.600 0.092 0.000 0.997 460 E CA 1.763 58.223 56.400 0.101 0.000 0.810 460 E CB -0.244 29.531 29.700 0.125 0.000 0.738 460 E HN 0.667 nan 8.360 nan 0.000 0.467 461 I N -2.453 118.166 120.570 0.081 0.000 3.030 461 I HA -0.024 4.147 4.170 0.002 0.000 0.270 461 I C 2.030 178.163 176.117 0.026 0.000 1.211 461 I CA 0.827 62.180 61.300 0.088 0.000 1.479 461 I CB -0.094 37.932 38.000 0.044 0.000 1.105 461 I HN -0.106 nan 8.210 nan 0.000 0.447 462 I N -0.019 120.540 120.570 -0.018 0.000 2.703 462 I HA -0.021 4.150 4.170 0.002 0.000 0.259 462 I C 2.313 178.385 176.117 -0.075 0.000 1.151 462 I CA 0.423 61.672 61.300 -0.085 0.000 1.470 462 I CB -0.308 37.577 38.000 -0.191 0.000 1.112 462 I HN 0.077 nan 8.210 nan 0.000 0.437 463 V N 0.507 120.394 119.914 -0.044 0.000 2.358 463 V HA -0.237 3.884 4.120 0.002 0.000 0.246 463 V C 1.034 177.119 176.094 -0.014 0.000 1.047 463 V CA 1.788 64.069 62.300 -0.032 0.000 1.035 463 V CB -0.556 31.257 31.823 -0.017 0.000 0.658 463 V HN 0.333 nan 8.190 nan 0.000 0.452 464 D N -0.632 119.764 120.400 -0.006 0.000 2.894 464 D HA 0.131 4.772 4.640 0.002 0.000 0.248 464 D C 1.445 177.746 176.300 0.002 0.000 1.291 464 D CA 0.008 54.005 54.000 -0.004 0.000 0.840 464 D CB -0.058 40.732 40.800 -0.017 0.000 1.044 464 D HN 0.004 nan 8.370 nan 0.000 0.484 465 R N 0.523 121.027 120.500 0.006 0.000 2.472 465 R HA 0.157 4.498 4.340 0.002 0.000 0.279 465 R C 0.294 176.616 176.300 0.036 0.000 0.953 465 R CA 0.105 56.217 56.100 0.020 0.000 1.088 465 R CB 0.405 30.713 30.300 0.014 0.000 1.197 465 R HN 0.284 nan 8.270 nan 0.000 0.536 466 L N -0.642 120.602 121.223 0.035 0.000 2.688 466 L HA 0.254 4.595 4.340 0.002 0.000 0.216 466 L C 1.406 178.334 176.870 0.097 0.000 1.036 466 L CA 0.960 55.835 54.840 0.058 0.000 0.906 466 L CB 0.102 42.163 42.059 0.003 0.000 1.501 466 L HN -0.200 nan 8.230 nan 0.000 0.489 467 K N -0.177 120.258 120.400 0.058 0.000 2.209 467 K HA -0.081 4.240 4.320 0.002 0.000 0.204 467 K C 1.771 178.405 176.600 0.058 0.000 1.048 467 K CA 0.899 57.222 56.287 0.060 0.000 0.940 467 K CB 0.116 32.635 32.500 0.030 0.000 0.729 467 K HN 0.181 nan 8.250 nan 0.000 0.451 468 R N 0.896 121.424 120.500 0.047 0.000 2.055 468 R HA -0.005 4.336 4.340 0.002 0.000 0.221 468 R C 1.698 178.028 176.300 0.051 0.000 1.154 468 R CA 1.029 57.149 56.100 0.033 0.000 0.975 468 R CB -0.763 29.545 30.300 0.014 0.000 0.869 468 R HN 0.245 nan 8.270 nan 0.000 0.437 469 E N -0.702 119.546 120.200 0.079 0.000 2.512 469 E HA -0.017 4.334 4.350 0.002 0.000 0.195 469 E C -0.252 176.469 176.600 0.203 0.000 1.083 469 E CA 0.207 56.670 56.400 0.104 0.000 0.873 469 E CB 0.157 29.919 29.700 0.104 0.000 0.897 469 E HN 0.139 nan 8.360 nan 0.000 0.514 470 F N -0.410 119.540 119.950 0.000 0.000 2.993 470 F HA 0.245 4.773 4.527 0.002 0.000 0.338 470 F C -0.038 175.762 175.800 0.001 0.000 1.199 470 F CA -0.359 57.642 58.000 0.002 0.000 1.069 470 F CB 0.680 39.684 39.000 0.008 0.000 1.294 470 F HN -0.276 nan 8.300 nan 0.000 0.513 471 K N 1.495 121.930 120.400 0.057 0.000 3.156 471 K HA -0.153 4.168 4.320 0.002 0.000 0.266 471 K C -0.899 175.745 176.600 0.074 0.000 0.966 471 K CA 0.431 56.731 56.287 0.022 0.000 0.719 471 K CB -1.218 31.251 32.500 -0.051 0.000 1.333 471 K HN 0.073 nan 8.250 nan 0.000 0.468 472 V N 2.132 122.119 119.914 0.121 0.000 2.304 472 V HA 0.091 4.212 4.120 0.002 0.000 0.262 472 V C 0.045 176.175 176.094 0.060 0.000 1.061 472 V CA -0.582 61.784 62.300 0.110 0.000 0.872 472 V CB 1.124 33.023 31.823 0.125 0.000 1.077 472 V HN 0.146 nan 8.190 nan 0.000 0.480 473 D N 4.893 125.318 120.400 0.043 0.000 2.344 473 D HA 0.622 5.263 4.640 0.002 0.000 0.253 473 D C 0.282 176.596 176.300 0.023 0.000 1.255 473 D CA 0.620 54.635 54.000 0.026 0.000 0.894 473 D CB 1.360 42.171 40.800 0.018 0.000 1.067 473 D HN 0.772 nan 8.370 nan 0.000 0.492 474 A N 2.998 125.830 122.820 0.019 0.000 2.588 474 A HA 0.569 4.890 4.320 0.002 0.000 0.290 474 A C -0.852 176.737 177.584 0.008 0.000 1.136 474 A CA -0.923 51.123 52.037 0.015 0.000 0.681 474 A CB 1.373 20.384 19.000 0.019 0.000 1.282 474 A HN 0.303 nan 8.150 nan 0.000 0.421 475 N N 0.275 118.978 118.700 0.005 0.000 2.419 475 N HA 0.395 5.136 4.740 0.002 0.000 0.277 475 N C -0.857 174.652 175.510 -0.003 0.000 1.006 475 N CA -0.153 52.897 53.050 0.000 0.000 0.923 475 N CB 1.855 40.341 38.487 -0.001 0.000 1.140 475 N HN 0.380 nan 8.380 nan 0.000 0.488 476 V N 1.822 121.733 119.914 -0.005 0.000 2.572 476 V HA 0.361 4.482 4.120 0.002 0.000 0.291 476 V C 1.055 177.142 176.094 -0.012 0.000 1.039 476 V CA 0.108 62.404 62.300 -0.007 0.000 1.055 476 V CB 0.872 32.691 31.823 -0.007 0.000 0.969 476 V HN 0.732 nan 8.190 nan 0.000 0.482 477 G N 5.007 113.799 108.800 -0.013 0.000 2.705 477 G HA2 0.558 4.519 3.960 0.002 0.000 0.299 477 G HA3 0.558 4.519 3.960 0.002 0.000 0.299 477 G C -0.871 174.013 174.900 -0.026 0.000 1.315 477 G CA -0.675 44.413 45.100 -0.020 0.000 1.045 477 G HN 0.600 nan 8.290 nan 0.000 0.517 478 K N 0.214 120.589 120.400 -0.042 0.000 2.318 478 K HA 0.452 4.773 4.320 0.002 0.000 0.249 478 K C -2.619 173.936 176.600 -0.076 0.000 0.942 478 K CA -1.419 54.826 56.287 -0.070 0.000 0.808 478 K CB 2.521 34.959 32.500 -0.103 0.000 1.189 478 K HN 0.224 nan 8.250 nan 0.000 0.428 479 P HA 0.269 nan 4.420 nan 0.000 0.285 479 P C -1.294 176.029 177.300 0.038 0.000 1.259 479 P CA -0.620 62.491 63.100 0.018 0.000 0.794 479 P CB 1.085 32.882 31.700 0.162 0.000 0.940 480 Q N 0.366 120.317 119.800 0.252 0.000 2.297 480 Q HA 0.528 4.869 4.340 0.002 0.000 0.269 480 Q C -0.039 176.228 176.000 0.444 0.000 1.051 480 Q CA -1.012 55.032 55.803 0.400 0.000 0.869 480 Q CB 1.753 30.672 28.738 0.302 0.000 1.346 480 Q HN 0.381 nan 8.270 nan 0.000 0.457 481 V N -1.143 119.012 119.914 0.401 0.000 3.596 481 V HA 0.868 4.989 4.120 0.002 0.000 0.288 481 V C -0.555 175.567 176.094 0.046 0.000 1.021 481 V CA -0.291 62.074 62.300 0.108 0.000 1.020 481 V CB 1.185 32.947 31.823 -0.101 0.000 1.243 481 V HN 0.777 nan 8.190 nan 0.000 0.433 482 A N 1.022 123.736 122.820 -0.177 0.000 3.030 482 A HA 0.659 4.980 4.320 0.002 0.000 0.335 482 A C -0.665 176.781 177.584 -0.229 0.000 1.089 482 A CA -0.527 51.281 52.037 -0.381 0.000 0.807 482 A CB -0.494 18.347 19.000 -0.264 0.000 1.099 482 A HN 0.807 nan 8.150 nan 0.000 0.474 483 Y N 1.151 121.368 120.300 -0.138 0.000 2.258 483 Y HA 0.487 5.038 4.550 0.002 0.000 0.345 483 Y C 1.233 177.127 175.900 -0.010 0.000 1.303 483 Y CA 0.430 58.605 58.100 0.125 0.000 1.537 483 Y CB 0.579 39.224 38.460 0.308 0.000 1.383 483 Y HN 0.494 nan 8.280 nan 0.000 0.606 484 R N 0.292 120.939 120.500 0.244 0.000 2.855 484 R HA 0.465 4.806 4.340 0.002 0.000 0.266 484 R C -1.329 175.029 176.300 0.096 0.000 1.034 484 R CA -1.080 55.047 56.100 0.045 0.000 0.944 484 R CB 1.764 31.927 30.300 -0.229 0.000 1.219 484 R HN 0.690 nan 8.270 nan 0.000 0.474 485 E N 0.153 120.382 120.200 0.049 0.000 2.288 485 E HA 0.533 4.884 4.350 0.002 0.000 0.268 485 E C -0.803 175.806 176.600 0.016 0.000 0.885 485 E CA -0.652 55.775 56.400 0.045 0.000 0.767 485 E CB 2.936 32.669 29.700 0.056 0.000 1.220 485 E HN 0.418 nan 8.360 nan 0.000 0.427 486 T N 0.617 115.184 114.554 0.021 0.000 2.731 486 T HA 0.567 4.918 4.350 0.002 0.000 0.300 486 T C -1.215 173.501 174.700 0.027 0.000 1.283 486 T CA -0.618 61.495 62.100 0.023 0.000 1.005 486 T CB 0.970 69.847 68.868 0.015 0.000 1.420 486 T HN 0.505 nan 8.240 nan 0.000 0.503 487 I N -0.118 120.470 120.570 0.030 0.000 3.062 487 I HA 0.796 4.967 4.170 0.002 0.000 0.316 487 I C 0.751 176.883 176.117 0.025 0.000 1.041 487 I CA -0.692 60.624 61.300 0.027 0.000 1.069 487 I CB 2.007 40.025 38.000 0.030 0.000 1.300 487 I HN 0.707 nan 8.210 nan 0.000 0.518 488 T N -1.454 113.113 114.554 0.021 0.000 3.460 488 T HA 0.387 4.738 4.350 0.002 0.000 0.304 488 T C -0.252 174.457 174.700 0.014 0.000 0.991 488 T CA -0.488 61.623 62.100 0.019 0.000 0.975 488 T CB -0.300 68.579 68.868 0.019 0.000 1.196 488 T HN 0.811 nan 8.240 nan 0.000 0.490 489 K N 1.951 122.359 120.400 0.014 0.000 2.589 489 K HA 0.430 4.751 4.320 0.002 0.000 0.253 489 K C -3.232 173.374 176.600 0.009 0.000 0.974 489 K CA -1.664 54.629 56.287 0.010 0.000 0.835 489 K CB 2.135 34.641 32.500 0.010 0.000 1.272 489 K HN -0.076 nan 8.250 nan 0.000 0.444 490 P HA 0.003 nan 4.420 nan 0.000 0.267 490 P C -0.362 176.940 177.300 0.003 0.000 1.205 490 P CA -0.281 62.818 63.100 -0.001 0.000 0.765 490 P CB 0.821 32.513 31.700 -0.014 0.000 0.828 491 V N -0.353 119.567 119.914 0.011 0.000 3.158 491 V HA 0.746 4.867 4.120 0.002 0.000 0.315 491 V C -0.662 175.449 176.094 0.027 0.000 1.148 491 V CA -0.803 61.508 62.300 0.019 0.000 1.042 491 V CB 2.534 34.374 31.823 0.028 0.000 1.101 491 V HN 0.419 nan 8.190 nan 0.000 0.448 492 D N 0.409 120.835 120.400 0.042 0.000 2.736 492 D HA 0.632 5.273 4.640 0.002 0.000 0.243 492 D C -0.956 175.401 176.300 0.095 0.000 1.304 492 D CA 0.073 54.120 54.000 0.078 0.000 0.934 492 D CB 1.946 42.777 40.800 0.052 0.000 1.382 492 D HN 1.112 nan 8.370 nan 0.000 0.571 493 V N 0.825 120.808 119.914 0.114 0.000 3.202 493 V HA 0.841 4.962 4.120 0.002 0.000 0.306 493 V C -1.150 174.975 176.094 0.051 0.000 1.283 493 V CA -0.864 61.478 62.300 0.072 0.000 1.065 493 V CB 2.060 33.911 31.823 0.047 0.000 1.079 493 V HN 0.584 nan 8.190 nan 0.000 0.448 494 E N 0.607 120.805 120.200 -0.004 0.000 2.433 494 E HA 0.818 5.169 4.350 0.002 0.000 0.273 494 E C -0.661 175.875 176.600 -0.106 0.000 0.950 494 E CA -0.778 55.572 56.400 -0.082 0.000 0.796 494 E CB 2.302 31.919 29.700 -0.138 0.000 1.330 494 E HN 1.529 nan 8.360 nan 0.000 0.455 495 G N 1.688 110.379 108.800 -0.181 0.000 2.704 495 G HA2 0.391 4.352 3.960 0.002 0.000 0.280 495 G HA3 0.391 4.352 3.960 0.002 0.000 0.280 495 G C -1.278 173.486 174.900 -0.227 0.000 1.499 495 G CA -0.715 44.301 45.100 -0.140 0.000 1.146 495 G HN 0.281 nan 8.290 nan 0.000 0.558 496 K N 1.502 121.781 120.400 -0.202 0.000 2.221 496 K HA 0.489 4.810 4.320 0.002 0.000 0.258 496 K C -1.760 174.775 176.600 -0.108 0.000 0.944 496 K CA -0.897 55.251 56.287 -0.231 0.000 0.823 496 K CB 2.747 35.111 32.500 -0.226 0.000 1.113 496 K HN 0.358 nan 8.250 nan 0.000 0.431 497 F N 4.675 124.425 119.950 -0.332 0.000 2.513 497 F HA 0.457 4.985 4.527 0.002 0.000 0.358 497 F C -1.191 174.416 175.800 -0.322 0.000 1.118 497 F CA -0.793 57.047 58.000 -0.268 0.000 1.037 497 F CB 0.517 39.383 39.000 -0.224 0.000 1.276 497 F HN 0.360 nan 8.300 nan 0.000 0.446 498 I N 6.696 126.858 120.570 -0.681 0.000 2.439 498 I HA 0.515 4.686 4.170 0.002 0.000 0.285 498 I C -0.689 175.080 176.117 -0.579 0.000 1.021 498 I CA -0.543 60.413 61.300 -0.573 0.000 1.091 498 I CB 1.752 39.520 38.000 -0.387 0.000 1.242 498 I HN 0.536 nan 8.210 nan 0.000 0.439 499 R N 4.627 124.792 120.500 -0.559 0.000 2.536 499 R HA 0.281 4.622 4.340 0.002 0.000 0.269 499 R C -1.300 174.847 176.300 -0.254 0.000 1.113 499 R CA -0.711 55.116 56.100 -0.455 0.000 0.948 499 R CB 2.240 32.114 30.300 -0.710 0.000 1.237 499 R HN 0.533 nan 8.270 nan 0.000 0.441 500 Q N 1.983 121.685 119.800 -0.163 0.000 2.288 500 Q HA 0.292 4.633 4.340 0.002 0.000 0.258 500 Q C -0.955 175.002 176.000 -0.071 0.000 0.957 500 Q CA 0.502 56.247 55.803 -0.098 0.000 0.919 500 Q CB 1.795 30.490 28.738 -0.073 0.000 1.185 500 Q HN 0.605 nan 8.270 nan 0.000 0.408 501 T N -0.204 114.329 114.554 -0.035 0.000 3.709 501 T HA 0.324 4.675 4.350 0.002 0.000 0.378 501 T C 0.072 174.783 174.700 0.020 0.000 1.352 501 T CA -0.250 61.852 62.100 0.003 0.000 1.144 501 T CB 1.386 70.278 68.868 0.040 0.000 1.289 501 T HN 0.772 nan 8.240 nan 0.000 0.476 502 G N 1.510 110.322 108.800 0.021 0.000 2.246 502 G HA2 0.152 4.113 3.960 0.002 0.000 0.273 502 G HA3 0.152 4.113 3.960 0.002 0.000 0.273 502 G C 1.106 176.017 174.900 0.017 0.000 1.055 502 G CA 0.624 45.738 45.100 0.023 0.000 0.851 502 G HN 2.316 nan 8.290 nan 0.000 0.500 503 G N -1.045 107.760 108.800 0.009 0.000 2.341 503 G HA2 0.053 4.014 3.960 0.002 0.000 0.292 503 G HA3 0.053 4.014 3.960 0.002 0.000 0.292 503 G C 0.337 175.242 174.900 0.008 0.000 1.021 503 G CA 1.593 46.696 45.100 0.006 0.000 0.905 503 G HN 2.330 nan 8.290 nan 0.000 0.508 504 R N -2.112 118.391 120.500 0.004 0.000 2.712 504 R HA 0.649 4.990 4.340 0.002 0.000 0.272 504 R C 0.189 176.478 176.300 -0.017 0.000 1.032 504 R CA -0.623 55.479 56.100 0.004 0.000 0.874 504 R CB 0.208 30.523 30.300 0.025 0.000 1.256 504 R HN 0.871 nan 8.270 nan 0.000 0.468 505 G N 0.934 109.713 108.800 -0.034 0.000 2.415 505 G HA2 0.392 4.353 3.960 0.002 0.000 0.269 505 G HA3 0.392 4.353 3.960 0.002 0.000 0.269 505 G C -0.836 174.039 174.900 -0.041 0.000 1.209 505 G CA -0.417 44.636 45.100 -0.078 0.000 0.835 505 G HN 0.343 nan 8.290 nan 0.000 0.534 506 Q N 0.307 120.065 119.800 -0.072 0.000 2.340 506 Q HA 0.335 4.676 4.340 0.002 0.000 0.268 506 Q C -1.863 174.097 176.000 -0.066 0.000 1.031 506 Q CA -0.700 55.093 55.803 -0.016 0.000 0.804 506 Q CB 2.737 31.519 28.738 0.073 0.000 1.286 506 Q HN 0.642 nan 8.270 nan 0.000 0.448 507 Y N 0.016 120.235 120.300 -0.135 0.000 2.386 507 Y HA 0.645 5.196 4.550 0.002 0.000 0.334 507 Y C -0.649 175.044 175.900 -0.344 0.000 1.002 507 Y CA -0.491 57.502 58.100 -0.178 0.000 1.068 507 Y CB 2.011 40.411 38.460 -0.100 0.000 1.203 507 Y HN 0.654 nan 8.280 nan 0.000 0.443 508 G N 4.497 112.870 108.800 -0.711 0.000 2.753 508 G HA2 0.409 4.370 3.960 0.002 0.000 0.297 508 G HA3 0.409 4.370 3.960 0.002 0.000 0.297 508 G C -2.622 171.868 174.900 -0.684 0.000 1.430 508 G CA -0.590 43.820 45.100 -1.150 0.000 1.040 508 G HN 0.686 nan 8.290 nan 0.000 0.530 509 H N 1.393 120.164 119.070 -0.497 0.000 3.096 509 H HA 0.580 5.137 4.556 0.002 0.000 0.335 509 H C -1.149 174.261 175.328 0.137 0.000 0.990 509 H CA -0.374 55.598 56.048 -0.126 0.000 1.393 509 H CB 1.808 31.556 29.762 -0.023 0.000 1.742 509 H HN 0.768 nan 8.280 nan 0.000 0.501 510 V N 2.260 122.166 119.914 -0.013 0.000 3.001 510 V HA 0.698 4.819 4.120 0.002 0.000 0.314 510 V C -0.899 175.149 176.094 -0.076 0.000 1.099 510 V CA -0.967 61.392 62.300 0.098 0.000 0.989 510 V CB 2.573 34.488 31.823 0.155 0.000 1.040 510 V HN 0.577 nan 8.190 nan 0.000 0.434 511 K N 3.805 124.159 120.400 -0.078 0.000 2.471 511 K HA 0.681 5.002 4.320 0.002 0.000 0.252 511 K C -1.185 175.356 176.600 -0.099 0.000 0.938 511 K CA -0.313 55.865 56.287 -0.183 0.000 0.796 511 K CB 2.552 34.754 32.500 -0.497 0.000 1.161 511 K HN 0.984 nan 8.250 nan 0.000 0.425 512 I N -1.225 119.429 120.570 0.140 0.000 2.730 512 I HA 0.511 4.682 4.170 0.002 0.000 0.298 512 I C -0.800 175.495 176.117 0.298 0.000 1.089 512 I CA -1.036 60.412 61.300 0.247 0.000 1.041 512 I CB 2.154 40.252 38.000 0.164 0.000 1.235 512 I HN 0.217 nan 8.210 nan 0.000 0.423 513 K N 4.439 124.969 120.400 0.217 0.000 2.159 513 K HA 0.699 5.020 4.320 0.002 0.000 0.266 513 K C -1.166 175.458 176.600 0.040 0.000 0.975 513 K CA -0.830 55.496 56.287 0.066 0.000 0.865 513 K CB 2.726 35.187 32.500 -0.064 0.000 1.087 513 K HN 0.502 nan 8.250 nan 0.000 0.446 514 V N 1.829 121.766 119.914 0.038 0.000 2.604 514 V HA 0.381 4.502 4.120 0.002 0.000 0.305 514 V C -0.517 175.589 176.094 0.020 0.000 1.043 514 V CA -0.859 61.465 62.300 0.041 0.000 0.888 514 V CB 1.772 33.637 31.823 0.071 0.000 0.995 514 V HN 0.782 nan 8.190 nan 0.000 0.429 515 E N 4.179 124.386 120.200 0.013 0.000 2.275 515 E HA 0.492 4.843 4.350 0.002 0.000 0.270 515 E C -2.840 173.766 176.600 0.010 0.000 0.882 515 E CA -2.203 54.197 56.400 -0.000 0.000 0.758 515 E CB 3.167 32.852 29.700 -0.024 0.000 1.195 515 E HN 0.445 nan 8.360 nan 0.000 0.419 516 P HA -0.004 nan 4.420 nan 0.000 0.265 516 P C -0.932 176.374 177.300 0.010 0.000 1.193 516 P CA -0.218 62.893 63.100 0.018 0.000 0.765 516 P CB 0.418 32.127 31.700 0.016 0.000 0.823 517 L N 5.876 127.109 121.223 0.017 0.000 2.358 517 L HA 0.575 4.916 4.340 0.002 0.000 0.268 517 L C -2.067 174.814 176.870 0.018 0.000 1.032 517 L CA -2.448 52.398 54.840 0.010 0.000 0.805 517 L CB 0.007 42.073 42.059 0.011 0.000 1.253 517 L HN 0.258 nan 8.230 nan 0.000 0.452 518 P HA 0.155 nan 4.420 nan 0.000 0.269 518 P C -0.818 176.503 177.300 0.035 0.000 1.209 518 P CA -0.531 62.584 63.100 0.024 0.000 0.776 518 P CB 0.365 32.076 31.700 0.019 0.000 0.876 519 R N 2.014 122.542 120.500 0.046 0.000 2.504 519 R HA 0.281 4.622 4.340 0.002 0.000 0.291 519 R C 1.458 177.802 176.300 0.073 0.000 0.974 519 R CA 1.963 58.102 56.100 0.065 0.000 1.077 519 R CB -1.062 29.296 30.300 0.096 0.000 0.926 519 R HN 0.804 nan 8.270 nan 0.000 0.407 520 G N 1.548 110.390 108.800 0.070 0.000 2.279 520 G HA2 -0.314 3.647 3.960 0.002 0.000 0.223 520 G HA3 -0.314 3.647 3.960 0.002 0.000 0.223 520 G C 1.116 176.049 174.900 0.056 0.000 1.015 520 G CA 0.340 45.488 45.100 0.080 0.000 0.621 520 G HN 0.566 nan 8.290 nan 0.000 0.506 521 S N 0.660 116.387 115.700 0.045 0.000 2.399 521 S HA 0.312 4.783 4.470 0.002 0.000 0.231 521 S C 2.244 176.871 174.600 0.045 0.000 1.022 521 S CA 2.201 60.423 58.200 0.037 0.000 0.983 521 S CB -0.375 62.840 63.200 0.024 0.000 0.803 521 S HN 2.324 nan 8.310 nan 0.000 0.480 522 G N 0.852 109.687 108.800 0.057 0.000 2.936 522 G HA2 -0.190 3.771 3.960 0.002 0.000 0.237 522 G HA3 -0.190 3.771 3.960 0.002 0.000 0.237 522 G C -0.554 174.451 174.900 0.175 0.000 1.403 522 G CA -0.094 45.060 45.100 0.091 0.000 1.011 522 G HN 0.460 nan 8.290 nan 0.000 0.568 523 F N 2.603 122.561 119.950 0.013 0.000 2.565 523 F HA 0.774 5.302 4.527 0.002 0.000 0.313 523 F C -0.835 174.994 175.800 0.048 0.000 1.091 523 F CA -0.888 57.131 58.000 0.031 0.000 0.915 523 F CB 2.133 41.153 39.000 0.033 0.000 1.208 523 F HN 0.523 nan 8.300 nan 0.000 0.453 524 E N 5.172 124.780 120.200 -0.987 0.000 2.275 524 E HA 0.282 4.633 4.350 0.002 0.000 0.270 524 E C -2.000 174.035 176.600 -0.943 0.000 0.882 524 E CA -0.736 55.242 56.400 -0.703 0.000 0.758 524 E CB 2.914 32.419 29.700 -0.325 0.000 1.195 524 E HN 0.503 nan 8.360 nan 0.000 0.419 525 F N 3.027 122.581 119.950 -0.660 0.000 2.444 525 F HA 0.417 4.945 4.527 0.002 0.000 0.342 525 F C -1.083 174.634 175.800 -0.139 0.000 1.121 525 F CA -0.686 57.126 58.000 -0.314 0.000 0.997 525 F CB 1.030 40.000 39.000 -0.049 0.000 1.130 525 F HN 0.162 nan 8.300 nan 0.000 0.454 526 V N 5.472 125.013 119.914 -0.621 0.000 2.417 526 V HA 0.290 4.411 4.120 0.002 0.000 0.291 526 V C -0.596 175.184 176.094 -0.523 0.000 1.024 526 V CA -0.898 61.169 62.300 -0.389 0.000 0.861 526 V CB 1.557 33.220 31.823 -0.266 0.000 0.985 526 V HN 0.696 nan 8.190 nan 0.000 0.436 527 N N 3.889 122.494 118.700 -0.157 0.000 2.527 527 N HA 0.441 5.182 4.740 0.002 0.000 0.236 527 N C 0.184 175.689 175.510 -0.008 0.000 0.999 527 N CA -0.210 52.831 53.050 -0.015 0.000 0.935 527 N CB 1.634 40.224 38.487 0.172 0.000 1.132 527 N HN 0.768 nan 8.380 nan 0.000 0.511 528 A N 4.783 127.599 122.820 -0.006 0.000 2.545 528 A HA 0.272 4.593 4.320 0.002 0.000 0.277 528 A C 0.407 178.032 177.584 0.068 0.000 1.301 528 A CA -0.431 51.625 52.037 0.031 0.000 0.935 528 A CB -0.222 18.800 19.000 0.038 0.000 1.093 528 A HN 0.571 nan 8.150 nan 0.000 0.519 529 I N 1.266 121.874 120.570 0.063 0.000 2.618 529 I HA 0.016 4.187 4.170 0.002 0.000 0.284 529 I C 0.026 176.172 176.117 0.049 0.000 1.146 529 I CA 0.451 61.788 61.300 0.062 0.000 1.425 529 I CB 1.110 39.142 38.000 0.054 0.000 1.383 529 I HN -0.064 nan 8.210 nan 0.000 0.562 530 V N 6.122 126.069 119.914 0.055 0.000 2.353 530 V HA 0.326 4.447 4.120 0.002 0.000 0.264 530 V C 0.871 176.987 176.094 0.038 0.000 1.049 530 V CA -0.304 62.023 62.300 0.045 0.000 0.896 530 V CB 0.520 32.375 31.823 0.054 0.000 1.025 530 V HN 1.086 nan 8.190 nan 0.000 0.475 531 G N 4.422 113.235 108.800 0.023 0.000 2.342 531 G HA2 0.110 4.071 3.960 0.002 0.000 0.267 531 G HA3 0.110 4.071 3.960 0.002 0.000 0.267 531 G C 1.037 175.948 174.900 0.018 0.000 0.922 531 G CA 0.264 45.373 45.100 0.016 0.000 1.342 531 G HN 2.169 nan 8.290 nan 0.000 0.430 532 G N -1.135 107.659 108.800 -0.010 0.000 2.168 532 G HA2 -0.219 3.742 3.960 0.002 0.000 0.257 532 G HA3 -0.219 3.742 3.960 0.002 0.000 0.257 532 G C 1.456 176.362 174.900 0.010 0.000 0.997 532 G CA 0.977 46.053 45.100 -0.040 0.000 0.708 532 G HN 1.635 nan 8.290 nan 0.000 0.520 533 V N -0.212 119.736 119.914 0.057 0.000 2.453 533 V HA 0.188 4.309 4.120 0.002 0.000 0.247 533 V C 1.578 177.783 176.094 0.184 0.000 1.048 533 V CA 1.794 64.176 62.300 0.137 0.000 1.049 533 V CB -0.016 31.869 31.823 0.105 0.000 0.672 533 V HN 0.479 nan 8.190 nan 0.000 0.457 534 I N 1.075 121.690 120.570 0.074 0.000 2.354 534 I HA 0.332 4.503 4.170 0.002 0.000 0.292 534 I C -2.333 173.678 176.117 -0.178 0.000 0.989 534 I CA -2.149 59.142 61.300 -0.015 0.000 1.188 534 I CB 1.823 39.802 38.000 -0.035 0.000 1.342 534 I HN 0.099 nan 8.210 nan 0.000 0.457 535 P HA -0.003 nan 4.420 nan 0.000 0.265 535 P C -0.984 176.147 177.300 -0.282 0.000 1.187 535 P CA -0.186 62.702 63.100 -0.353 0.000 0.766 535 P CB 0.270 31.706 31.700 -0.439 0.000 0.820 536 K N 1.815 122.074 120.400 -0.235 0.000 2.138 536 K HA 0.239 4.560 4.320 0.002 0.000 0.251 536 K C 0.153 176.566 176.600 -0.312 0.000 1.015 536 K CA -0.359 55.808 56.287 -0.199 0.000 0.917 536 K CB 0.765 33.188 32.500 -0.129 0.000 1.021 536 K HN 0.428 nan 8.250 nan 0.000 0.485 537 E N -0.973 119.060 120.200 -0.278 0.000 3.842 537 E HA -0.204 4.147 4.350 0.002 0.000 0.140 537 E C 0.718 177.149 176.600 -0.281 0.000 0.825 537 E CA 1.128 57.297 56.400 -0.386 0.000 2.874 537 E CB -1.351 27.866 29.700 -0.806 0.000 1.390 537 E HN 0.674 nan 8.360 nan 0.000 0.691 538 Y N 0.435 120.618 120.300 -0.196 0.000 2.457 538 Y HA 0.332 4.883 4.550 0.002 0.000 0.263 538 Y C 1.825 177.584 175.900 -0.236 0.000 1.164 538 Y CA 0.230 58.175 58.100 -0.258 0.000 1.274 538 Y CB 0.271 38.364 38.460 -0.612 0.000 1.097 538 Y HN 0.187 nan 8.280 nan 0.000 0.523 539 I N 0.497 121.032 120.570 -0.058 0.000 2.500 539 I HA -0.072 4.099 4.170 0.002 0.000 0.252 539 I C -0.637 175.443 176.117 -0.062 0.000 1.142 539 I CA 0.660 61.938 61.300 -0.037 0.000 1.451 539 I CB -1.648 36.350 38.000 -0.003 0.000 1.093 539 I HN 0.090 nan 8.210 nan 0.000 0.430 540 P HA -0.130 nan 4.420 nan 0.000 0.215 540 P C 1.754 179.023 177.300 -0.052 0.000 1.157 540 P CA 1.791 64.848 63.100 -0.072 0.000 0.868 540 P CB 0.034 31.707 31.700 -0.044 0.000 0.788 541 A N -0.178 122.652 122.820 0.017 0.000 1.908 541 A HA -0.210 4.111 4.320 0.002 0.000 0.218 541 A C 2.387 179.995 177.584 0.039 0.000 1.181 541 A CA 2.371 54.442 52.037 0.056 0.000 0.627 541 A CB -1.941 17.152 19.000 0.155 0.000 0.818 541 A HN 0.209 nan 8.150 nan 0.000 0.445 542 V N -0.831 119.114 119.914 0.051 0.000 2.343 542 V HA -0.310 3.811 4.120 0.002 0.000 0.247 542 V C 2.137 178.200 176.094 -0.051 0.000 1.051 542 V CA 2.674 65.013 62.300 0.065 0.000 1.036 542 V CB -0.925 30.996 31.823 0.164 0.000 0.654 542 V HN 0.663 nan 8.190 nan 0.000 0.451 543 Q N -0.104 119.570 119.800 -0.211 0.000 2.061 543 Q HA -0.234 4.107 4.340 0.002 0.000 0.204 543 Q C 2.450 178.347 176.000 -0.171 0.000 0.984 543 Q CA 2.376 57.971 55.803 -0.346 0.000 0.846 543 Q CB -0.226 28.233 28.738 -0.465 0.000 0.902 543 Q HN 0.657 nan 8.270 nan 0.000 0.421 544 K N -0.551 119.781 120.400 -0.113 0.000 2.063 544 K HA -0.146 4.175 4.320 0.002 0.000 0.208 544 K C 2.068 178.622 176.600 -0.076 0.000 1.048 544 K CA 1.253 57.491 56.287 -0.082 0.000 0.928 544 K CB -0.337 32.131 32.500 -0.052 0.000 0.713 544 K HN 0.307 nan 8.250 nan 0.000 0.442 545 G N 1.132 109.899 108.800 -0.056 0.000 2.422 545 G HA2 -0.195 3.766 3.960 0.002 0.000 0.218 545 G HA3 -0.195 3.766 3.960 0.002 0.000 0.218 545 G C 1.489 176.359 174.900 -0.051 0.000 1.140 545 G CA 0.462 45.532 45.100 -0.051 0.000 0.775 545 G HN 0.141 nan 8.290 nan 0.000 0.545 546 I N 1.218 121.761 120.570 -0.044 0.000 2.233 546 I HA -0.106 4.065 4.170 0.002 0.000 0.243 546 I C 2.888 178.931 176.117 -0.124 0.000 1.093 546 I CA 1.600 62.880 61.300 -0.033 0.000 1.380 546 I CB -0.203 37.833 38.000 0.060 0.000 1.067 546 I HN 0.418 nan 8.210 nan 0.000 0.413 547 E N 1.057 121.148 120.200 -0.181 0.000 2.150 547 E HA -0.214 4.137 4.350 0.002 0.000 0.193 547 E C 1.764 178.270 176.600 -0.157 0.000 0.985 547 E CA 1.079 57.337 56.400 -0.238 0.000 0.814 547 E CB -0.381 29.177 29.700 -0.237 0.000 0.752 547 E HN 0.516 nan 8.360 nan 0.000 0.466 548 E N 0.942 121.073 120.200 -0.114 0.000 2.107 548 E HA -0.096 4.255 4.350 0.002 0.000 0.191 548 E C 2.106 178.656 176.600 -0.083 0.000 0.982 548 E CA 0.917 57.263 56.400 -0.090 0.000 0.809 548 E CB -0.087 29.567 29.700 -0.077 0.000 0.756 548 E HN 0.430 nan 8.360 nan 0.000 0.459 549 A N 0.780 123.554 122.820 -0.077 0.000 2.119 549 A HA -0.030 4.291 4.320 0.002 0.000 0.216 549 A C 2.012 179.558 177.584 -0.062 0.000 1.152 549 A CA 0.622 52.622 52.037 -0.061 0.000 0.708 549 A CB -0.250 18.723 19.000 -0.045 0.000 0.805 549 A HN 0.130 nan 8.150 nan 0.000 0.460 550 M N -1.209 118.338 119.600 -0.089 0.000 2.492 550 M HA -0.120 4.361 4.480 0.002 0.000 0.262 550 M C 2.034 178.288 176.300 -0.077 0.000 1.090 550 M CA 0.895 56.138 55.300 -0.096 0.000 1.110 550 M CB -0.135 32.358 32.600 -0.179 0.000 1.407 550 M HN 0.464 nan 8.290 nan 0.000 0.470 551 Q N -0.441 119.311 119.800 -0.079 0.000 2.226 551 Q HA -0.019 4.322 4.340 0.002 0.000 0.204 551 Q C 0.232 176.212 176.000 -0.034 0.000 0.975 551 Q CA 0.780 56.546 55.803 -0.063 0.000 0.866 551 Q CB 0.217 28.909 28.738 -0.077 0.000 0.915 551 Q HN 0.111 nan 8.270 nan 0.000 0.440 552 S N -0.060 115.619 115.700 -0.036 0.000 2.733 552 S HA 0.546 5.017 4.470 0.002 0.000 0.307 552 S C -0.307 174.288 174.600 -0.008 0.000 1.127 552 S CA -0.712 57.473 58.200 -0.025 0.000 1.097 552 S CB 1.010 64.175 63.200 -0.058 0.000 1.003 552 S HN 0.376 nan 8.310 nan 0.000 0.477 553 G N 4.086 112.898 108.800 0.020 0.000 2.606 553 G HA2 0.374 4.335 3.960 0.002 0.000 0.252 553 G HA3 0.374 4.335 3.960 0.002 0.000 0.252 553 G C -1.573 173.325 174.900 -0.004 0.000 1.206 553 G CA -1.082 44.028 45.100 0.017 0.000 0.861 553 G HN 0.454 nan 8.290 nan 0.000 0.561 554 P HA -0.037 nan 4.420 nan 0.000 0.215 554 P C 2.226 179.513 177.300 -0.022 0.000 1.160 554 P CA 0.574 63.666 63.100 -0.013 0.000 0.869 554 P CB 0.220 31.915 31.700 -0.007 0.000 0.782 555 L N -0.105 121.106 121.223 -0.020 0.000 1.997 555 L HA -0.125 4.216 4.340 0.002 0.000 0.216 555 L C 2.142 178.979 176.870 -0.055 0.000 1.074 555 L CA 2.204 57.024 54.840 -0.033 0.000 0.763 555 L CB -0.776 41.264 42.059 -0.032 0.000 0.890 555 L HN 0.084 nan 8.230 nan 0.000 0.434 556 I N -5.586 114.947 120.570 -0.062 0.000 3.511 556 I HA 0.398 4.569 4.170 0.002 0.000 0.321 556 I C 0.774 176.788 176.117 -0.172 0.000 1.459 556 I CA 0.216 61.446 61.300 -0.117 0.000 0.946 556 I CB 0.606 38.521 38.000 -0.141 0.000 1.655 556 I HN 0.187 nan 8.210 nan 0.000 0.645 557 G N 1.151 109.891 108.800 -0.100 0.000 2.168 557 G HA2 -0.287 3.674 3.960 0.002 0.000 0.263 557 G HA3 -0.287 3.674 3.960 0.002 0.000 0.263 557 G C -0.192 174.683 174.900 -0.042 0.000 0.977 557 G CA 0.466 45.500 45.100 -0.110 0.000 0.659 557 G HN 0.389 nan 8.290 nan 0.000 0.533 558 F N 0.756 120.707 119.950 0.002 0.000 2.497 558 F HA 0.632 5.160 4.527 0.002 0.000 0.331 558 F C -1.936 173.855 175.800 -0.016 0.000 1.060 558 F CA -3.144 54.864 58.000 0.013 0.000 0.989 558 F CB 1.554 40.608 39.000 0.089 0.000 1.245 558 F HN -0.203 nan 8.300 nan 0.000 0.486 559 P HA 0.175 nan 4.420 nan 0.000 0.271 559 P C -0.926 176.373 177.300 -0.002 0.000 1.218 559 P CA -0.131 62.984 63.100 0.025 0.000 0.780 559 P CB 0.598 32.273 31.700 -0.041 0.000 0.901 560 V N 3.330 123.229 119.914 -0.025 0.000 2.617 560 V HA 0.550 4.671 4.120 0.002 0.000 0.298 560 V C 0.694 176.765 176.094 -0.038 0.000 1.048 560 V CA -0.319 61.969 62.300 -0.021 0.000 0.964 560 V CB 1.395 33.212 31.823 -0.010 0.000 1.004 560 V HN 0.524 nan 8.190 nan 0.000 0.466 561 V N -0.327 119.575 119.914 -0.021 0.000 3.206 561 V HA 0.673 4.795 4.120 0.002 0.000 0.305 561 V C -0.810 175.305 176.094 0.035 0.000 1.257 561 V CA -1.038 61.255 62.300 -0.012 0.000 1.057 561 V CB 2.045 33.814 31.823 -0.090 0.000 1.075 561 V HN 0.764 nan 8.190 nan 0.000 0.443 562 D N 0.836 121.274 120.400 0.063 0.000 2.697 562 D HA -0.165 4.476 4.640 0.002 0.000 0.238 562 D C -0.231 176.117 176.300 0.079 0.000 1.152 562 D CA 1.713 55.751 54.000 0.063 0.000 0.666 562 D CB -1.282 39.534 40.800 0.027 0.000 1.037 562 D HN 1.168 nan 8.370 nan 0.000 0.423 563 I N -3.744 116.912 120.570 0.144 0.000 2.689 563 I HA 0.516 4.687 4.170 0.002 0.000 0.299 563 I C -0.298 175.866 176.117 0.079 0.000 1.059 563 I CA -1.162 60.218 61.300 0.133 0.000 1.055 563 I CB 2.633 40.742 38.000 0.181 0.000 1.243 563 I HN -0.182 nan 8.210 nan 0.000 0.425 564 K N 4.909 125.306 120.400 -0.004 0.000 2.265 564 K HA 0.623 4.944 4.320 0.002 0.000 0.267 564 K C -1.621 174.938 176.600 -0.069 0.000 0.994 564 K CA -0.545 55.674 56.287 -0.114 0.000 0.860 564 K CB 1.796 34.233 32.500 -0.105 0.000 1.099 564 K HN 0.660 nan 8.250 nan 0.000 0.448 565 V N 3.486 123.335 119.914 -0.108 0.000 2.435 565 V HA 0.332 4.453 4.120 0.002 0.000 0.290 565 V C -0.396 175.528 176.094 -0.284 0.000 1.030 565 V CA -0.523 61.762 62.300 -0.025 0.000 0.881 565 V CB 1.875 33.873 31.823 0.291 0.000 0.983 565 V HN 0.828 nan 8.190 nan 0.000 0.445 566 T N 5.898 120.323 114.554 -0.214 0.000 2.864 566 T HA 0.409 4.760 4.350 0.002 0.000 0.299 566 T C -0.664 173.966 174.700 -0.116 0.000 1.011 566 T CA -0.260 61.672 62.100 -0.281 0.000 0.975 566 T CB 1.082 69.864 68.868 -0.143 0.000 0.962 566 T HN 0.416 nan 8.240 nan 0.000 0.448 567 L N 5.686 126.759 121.223 -0.250 0.000 2.283 567 L HA 0.399 4.740 4.340 0.002 0.000 0.287 567 L C 0.208 177.133 176.870 0.093 0.000 1.073 567 L CA -0.060 54.789 54.840 0.015 0.000 0.822 567 L CB -0.104 42.051 42.059 0.159 0.000 1.186 567 L HN 0.769 nan 8.230 nan 0.000 0.436 568 Y N 1.546 121.856 120.300 0.018 0.000 2.423 568 Y HA 0.555 5.106 4.550 0.002 0.000 0.257 568 Y C -0.033 175.906 175.900 0.066 0.000 1.087 568 Y CA -0.619 57.495 58.100 0.022 0.000 1.258 568 Y CB 0.286 38.749 38.460 0.005 0.000 1.237 568 Y HN 0.505 nan 8.280 nan 0.000 0.517 569 D N -0.652 119.442 120.400 -0.510 0.000 2.643 569 D HA 0.600 5.241 4.640 0.002 0.000 0.283 569 D C -0.271 175.973 176.300 -0.094 0.000 1.242 569 D CA 0.428 54.240 54.000 -0.313 0.000 0.863 569 D CB 1.949 42.446 40.800 -0.504 0.000 1.382 569 D HN 0.496 nan 8.370 nan 0.000 0.444 570 G N -0.440 108.412 108.800 0.088 0.000 2.367 570 G HA2 0.539 4.500 3.960 0.002 0.000 0.272 570 G HA3 0.539 4.500 3.960 0.002 0.000 0.272 570 G C -1.466 173.561 174.900 0.211 0.000 1.271 570 G CA 0.188 45.508 45.100 0.367 0.000 0.893 570 G HN 1.173 nan 8.290 nan 0.000 0.485 571 S N -1.529 114.343 115.700 0.286 0.000 2.656 571 S HA 0.890 5.361 4.470 0.002 0.000 0.273 571 S C -1.014 173.991 174.600 0.676 0.000 1.168 571 S CA -0.208 58.164 58.200 0.286 0.000 0.817 571 S CB 1.994 65.175 63.200 -0.031 0.000 1.146 571 S HN 2.285 nan 8.310 nan 0.000 0.475 572 Y N -1.202 119.283 120.300 0.309 0.000 2.677 572 Y HA 0.755 5.306 4.550 0.002 0.000 0.334 572 Y C -0.903 174.881 175.900 -0.194 0.000 1.154 572 Y CA -1.149 57.146 58.100 0.325 0.000 1.070 572 Y CB 0.659 39.386 38.460 0.444 0.000 1.294 572 Y HN 1.002 nan 8.280 nan 0.000 0.475 573 H N 1.726 120.622 119.070 -0.290 0.000 2.572 573 H HA 0.240 4.797 4.556 0.002 0.000 0.359 573 H C 0.472 175.795 175.328 -0.008 0.000 1.134 573 H CA -0.051 55.745 56.048 -0.420 0.000 1.187 573 H CB 2.442 31.921 29.762 -0.472 0.000 1.597 573 H HN 1.022 nan 8.280 nan 0.000 0.524 574 E N 2.925 122.876 120.200 -0.415 0.000 2.150 574 E HA -0.110 4.241 4.350 0.002 0.000 0.193 574 E C 1.199 177.871 176.600 0.121 0.000 0.985 574 E CA 1.861 58.223 56.400 -0.062 0.000 0.814 574 E CB -0.011 29.568 29.700 -0.203 0.000 0.752 574 E HN 0.383 nan 8.360 nan 0.000 0.466 575 V N -1.504 118.529 119.914 0.197 0.000 3.151 575 V HA 0.081 4.202 4.120 0.002 0.000 0.241 575 V C 1.406 177.666 176.094 0.277 0.000 1.173 575 V CA 0.776 63.217 62.300 0.234 0.000 1.154 575 V CB -0.024 31.902 31.823 0.171 0.000 0.898 575 V HN -0.145 nan 8.190 nan 0.000 0.473 576 D N 1.586 122.215 120.400 0.382 0.000 2.371 576 D HA 0.096 4.737 4.640 0.002 0.000 0.221 576 D C 1.065 177.484 176.300 0.197 0.000 0.986 576 D CA 0.689 54.782 54.000 0.154 0.000 0.899 576 D CB 0.062 40.756 40.800 -0.176 0.000 0.902 576 D HN 0.448 nan 8.370 nan 0.000 0.530 577 S N -0.248 115.630 115.700 0.297 0.000 2.565 577 S HA 0.436 4.907 4.470 0.002 0.000 0.274 577 S C 0.275 174.954 174.600 0.131 0.000 1.309 577 S CA -0.514 57.839 58.200 0.255 0.000 1.043 577 S CB 1.002 64.482 63.200 0.467 0.000 0.939 577 S HN 0.290 nan 8.310 nan 0.000 0.504 578 S N 2.355 118.013 115.700 -0.071 0.000 2.688 578 S HA 0.457 4.928 4.470 0.002 0.000 0.275 578 S C 0.277 174.821 174.600 -0.093 0.000 1.175 578 S CA -0.823 57.372 58.200 -0.008 0.000 0.818 578 S CB 0.896 64.154 63.200 0.098 0.000 1.157 578 S HN 0.573 nan 8.310 nan 0.000 0.482 579 E N 0.062 120.355 120.200 0.154 0.000 2.051 579 E HA -0.062 4.289 4.350 0.002 0.000 0.189 579 E C 1.992 178.654 176.600 0.103 0.000 0.979 579 E CA 0.832 57.355 56.400 0.206 0.000 0.803 579 E CB -0.191 29.645 29.700 0.226 0.000 0.761 579 E HN 0.625 nan 8.360 nan 0.000 0.451 580 M N 1.344 120.979 119.600 0.058 0.000 2.089 580 M HA -0.244 4.237 4.480 0.002 0.000 0.257 580 M C 2.235 178.493 176.300 -0.070 0.000 1.071 580 M CA 2.189 57.481 55.300 -0.014 0.000 1.096 580 M CB -0.455 32.144 32.600 -0.002 0.000 1.330 580 M HN 0.126 nan 8.290 nan 0.000 0.403 581 A N -0.383 122.430 122.820 -0.013 0.000 1.902 581 A HA -0.177 4.144 4.320 0.002 0.000 0.217 581 A C 1.875 179.370 177.584 -0.148 0.000 1.181 581 A CA 1.669 53.696 52.037 -0.017 0.000 0.623 581 A CB -1.202 17.792 19.000 -0.009 0.000 0.818 581 A HN 0.594 nan 8.150 nan 0.000 0.443 582 F N -0.254 119.644 119.950 -0.086 0.000 2.367 582 F HA 0.002 4.530 4.527 0.002 0.000 0.298 582 F C 2.233 178.004 175.800 -0.049 0.000 1.094 582 F CA 1.497 59.462 58.000 -0.059 0.000 1.409 582 F CB 0.054 39.009 39.000 -0.075 0.000 1.064 582 F HN 0.183 nan 8.300 nan 0.000 0.528 583 K N 1.104 121.556 120.400 0.087 0.000 1.985 583 K HA -0.198 4.123 4.320 0.002 0.000 0.210 583 K C 1.981 178.534 176.600 -0.079 0.000 1.047 583 K CA 1.956 58.244 56.287 0.000 0.000 0.932 583 K CB -0.402 32.082 32.500 -0.026 0.000 0.716 583 K HN 0.182 nan 8.250 nan 0.000 0.439 584 I N 1.307 121.760 120.570 -0.196 0.000 2.208 584 I HA -0.293 3.878 4.170 0.002 0.000 0.245 584 I C 2.526 178.550 176.117 -0.155 0.000 1.097 584 I CA 1.371 62.503 61.300 -0.280 0.000 1.363 584 I CB -0.406 37.181 38.000 -0.688 0.000 1.051 584 I HN 0.305 nan 8.210 nan 0.000 0.413 585 A N 0.914 123.670 122.820 -0.107 0.000 1.908 585 A HA -0.182 4.139 4.320 0.002 0.000 0.218 585 A C 2.467 180.045 177.584 -0.010 0.000 1.181 585 A CA 2.120 54.122 52.037 -0.059 0.000 0.627 585 A CB -1.566 17.369 19.000 -0.107 0.000 0.818 585 A HN 0.481 nan 8.150 nan 0.000 0.445 586 G N -1.117 107.704 108.800 0.034 0.000 2.418 586 G HA2 -0.162 3.799 3.960 0.002 0.000 0.217 586 G HA3 -0.162 3.799 3.960 0.002 0.000 0.217 586 G C 1.842 176.755 174.900 0.022 0.000 1.158 586 G CA 1.269 46.405 45.100 0.060 0.000 0.771 586 G HN 0.471 nan 8.290 nan 0.000 0.545 587 S N 0.183 115.870 115.700 -0.021 0.000 2.374 587 S HA -0.123 4.348 4.470 0.002 0.000 0.227 587 S C 2.440 177.025 174.600 -0.025 0.000 1.037 587 S CA 1.546 59.724 58.200 -0.037 0.000 1.024 587 S CB -0.243 62.914 63.200 -0.072 0.000 0.861 587 S HN 0.362 nan 8.310 nan 0.000 0.456 588 M N 0.271 119.853 119.600 -0.029 0.000 2.288 588 M HA 0.005 4.486 4.480 0.002 0.000 0.266 588 M C 2.454 178.748 176.300 -0.010 0.000 1.072 588 M CA 1.086 56.373 55.300 -0.023 0.000 1.132 588 M CB -0.609 31.974 32.600 -0.027 0.000 1.386 588 M HN 0.375 nan 8.290 nan 0.000 0.432 589 A N 0.895 123.715 122.820 -0.000 0.000 1.855 589 A HA -0.132 4.189 4.320 0.002 0.000 0.215 589 A C 2.107 179.714 177.584 0.038 0.000 1.191 589 A CA 1.153 53.201 52.037 0.017 0.000 0.613 589 A CB -0.691 18.331 19.000 0.038 0.000 0.829 589 A HN 0.352 nan 8.150 nan 0.000 0.442 590 I N -0.649 119.950 120.570 0.048 0.000 2.394 590 I HA -0.144 4.027 4.170 0.002 0.000 0.251 590 I C 2.126 178.260 176.117 0.029 0.000 1.136 590 I CA 1.665 62.998 61.300 0.055 0.000 1.425 590 I CB -0.703 37.336 38.000 0.065 0.000 1.079 590 I HN 0.179 nan 8.210 nan 0.000 0.425 591 K N 0.996 121.402 120.400 0.010 0.000 2.032 591 K HA -0.243 4.078 4.320 0.002 0.000 0.209 591 K C 1.984 178.588 176.600 0.007 0.000 1.048 591 K CA 1.877 58.165 56.287 0.001 0.000 0.927 591 K CB -0.284 32.210 32.500 -0.010 0.000 0.712 591 K HN 0.369 nan 8.250 nan 0.000 0.441 592 E N -0.276 119.929 120.200 0.009 0.000 2.152 592 E HA -0.053 4.298 4.350 0.002 0.000 0.192 592 E C 1.650 178.262 176.600 0.020 0.000 0.983 592 E CA 1.207 57.614 56.400 0.010 0.000 0.818 592 E CB -0.211 29.492 29.700 0.005 0.000 0.758 592 E HN 0.241 nan 8.360 nan 0.000 0.467 593 A N 0.512 123.351 122.820 0.031 0.000 1.877 593 A HA -0.134 4.187 4.320 0.002 0.000 0.216 593 A C 2.467 180.071 177.584 0.034 0.000 1.186 593 A CA 1.718 53.779 52.037 0.040 0.000 0.620 593 A CB -0.861 18.175 19.000 0.059 0.000 0.822 593 A HN 0.214 nan 8.150 nan 0.000 0.443 594 V N 0.241 120.173 119.914 0.031 0.000 2.343 594 V HA -0.306 3.815 4.120 0.002 0.000 0.247 594 V C 2.630 178.735 176.094 0.018 0.000 1.051 594 V CA 2.158 64.473 62.300 0.026 0.000 1.036 594 V CB -1.000 30.837 31.823 0.022 0.000 0.654 594 V HN 0.636 nan 8.190 nan 0.000 0.451 595 Q N -0.110 119.698 119.800 0.013 0.000 2.119 595 Q HA -0.165 4.176 4.340 0.002 0.000 0.201 595 Q C 2.086 178.092 176.000 0.010 0.000 0.972 595 Q CA 1.050 56.858 55.803 0.008 0.000 0.847 595 Q CB -0.212 28.528 28.738 0.004 0.000 0.903 595 Q HN 0.540 nan 8.270 nan 0.000 0.433 596 K N 0.091 120.499 120.400 0.013 0.000 2.487 596 K HA 0.032 4.353 4.320 0.002 0.000 0.192 596 K C 1.257 177.866 176.600 0.015 0.000 1.027 596 K CA 0.418 56.713 56.287 0.014 0.000 1.054 596 K CB 0.366 32.876 32.500 0.017 0.000 0.824 596 K HN 0.158 nan 8.250 nan 0.000 0.510 597 G N 1.316 110.127 108.800 0.017 0.000 3.440 597 G HA2 -0.036 3.925 3.960 0.002 0.000 0.263 597 G HA3 -0.036 3.925 3.960 0.002 0.000 0.263 597 G C -0.560 174.350 174.900 0.016 0.000 1.236 597 G CA -0.339 44.772 45.100 0.018 0.000 0.927 597 G HN 0.165 nan 8.290 nan 0.000 0.530 598 D N 0.622 121.030 120.400 0.013 0.000 2.735 598 D HA -0.119 4.522 4.640 0.002 0.000 0.235 598 D C -1.726 174.582 176.300 0.013 0.000 1.175 598 D CA 0.644 54.651 54.000 0.011 0.000 0.683 598 D CB -0.315 40.491 40.800 0.011 0.000 1.008 598 D HN 0.324 nan 8.370 nan 0.000 0.416 599 P HA 0.281 nan 4.420 nan 0.000 0.274 599 P C 0.032 177.341 177.300 0.014 0.000 1.264 599 P CA -0.368 62.741 63.100 0.015 0.000 0.795 599 P CB 0.992 32.699 31.700 0.012 0.000 1.064 600 V N -0.773 119.152 119.914 0.018 0.000 3.174 600 V HA 0.277 4.398 4.120 0.002 0.000 0.280 600 V C -1.199 174.915 176.094 0.032 0.000 1.554 600 V CA -0.777 61.536 62.300 0.022 0.000 1.016 600 V CB 1.939 33.778 31.823 0.027 0.000 1.197 600 V HN 0.277 nan 8.190 nan 0.000 0.453 601 I N 5.307 125.899 120.570 0.037 0.000 2.336 601 I HA 0.455 4.626 4.170 0.002 0.000 0.292 601 I C -0.557 175.640 176.117 0.133 0.000 0.991 601 I CA -0.595 60.742 61.300 0.063 0.000 1.227 601 I CB 1.476 39.471 38.000 -0.009 0.000 1.366 601 I HN 0.336 nan 8.210 nan 0.000 0.466 602 L N 6.721 128.061 121.223 0.196 0.000 2.272 602 L HA 0.398 4.739 4.340 0.002 0.000 0.289 602 L C 0.298 177.488 176.870 0.534 0.000 1.032 602 L CA -0.507 54.507 54.840 0.289 0.000 0.810 602 L CB 0.988 43.126 42.059 0.131 0.000 1.205 602 L HN 0.677 nan 8.230 nan 0.000 0.422 603 E N 5.329 125.787 120.200 0.431 0.000 2.202 603 E HA 0.458 4.809 4.350 0.002 0.000 0.272 603 E C -2.687 173.796 176.600 -0.194 0.000 0.951 603 E CA -2.458 54.073 56.400 0.218 0.000 0.813 603 E CB 2.084 31.907 29.700 0.206 0.000 1.151 603 E HN 0.224 nan 8.360 nan 0.000 0.398 604 P HA 0.130 nan 4.420 nan 0.000 0.273 604 P C -0.413 176.556 177.300 -0.552 0.000 1.319 604 P CA -0.390 62.263 63.100 -0.746 0.000 0.885 604 P CB 0.019 31.427 31.700 -0.486 0.000 1.015 605 I N 5.649 125.808 120.570 -0.685 0.000 2.453 605 I HA 0.090 4.261 4.170 0.002 0.000 0.300 605 I C 1.048 176.845 176.117 -0.532 0.000 1.159 605 I CA 0.243 61.167 61.300 -0.627 0.000 1.379 605 I CB -0.792 36.663 38.000 -0.909 0.000 1.460 605 I HN 0.372 nan 8.210 nan 0.000 0.601 606 M N 5.768 125.189 119.600 -0.299 0.000 2.644 606 M HA 0.632 5.113 4.480 0.002 0.000 0.316 606 M C -0.414 175.908 176.300 0.037 0.000 1.200 606 M CA -0.686 54.515 55.300 -0.164 0.000 0.944 606 M CB 1.662 34.178 32.600 -0.139 0.000 1.691 606 M HN 0.269 nan 8.290 nan 0.000 0.471 607 R N 2.271 122.854 120.500 0.139 0.000 2.215 607 R HA 0.596 4.937 4.340 0.002 0.000 0.336 607 R C -1.272 175.026 176.300 -0.004 0.000 0.996 607 R CA -0.505 55.721 56.100 0.210 0.000 0.847 607 R CB 0.943 31.488 30.300 0.408 0.000 1.127 607 R HN 0.728 nan 8.270 nan 0.000 0.465 608 V N 1.996 121.887 119.914 -0.039 0.000 2.997 608 V HA 0.340 4.461 4.120 0.002 0.000 0.311 608 V C 0.308 176.394 176.094 -0.014 0.000 1.066 608 V CA -0.594 61.650 62.300 -0.093 0.000 1.039 608 V CB 1.612 33.397 31.823 -0.062 0.000 1.081 608 V HN 0.779 nan 8.190 nan 0.000 0.467 609 E N 0.719 120.929 120.200 0.017 0.000 3.626 609 E HA 0.297 4.648 4.350 0.002 0.000 0.245 609 E C -1.472 175.199 176.600 0.119 0.000 1.236 609 E CA -0.292 56.155 56.400 0.078 0.000 1.072 609 E CB 1.477 31.248 29.700 0.118 0.000 1.309 609 E HN 0.566 nan 8.360 nan 0.000 0.400 610 V N 2.861 122.853 119.914 0.130 0.000 2.400 610 V HA 0.032 4.153 4.120 0.002 0.000 0.263 610 V C 0.570 176.738 176.094 0.123 0.000 1.026 610 V CA 0.467 62.868 62.300 0.168 0.000 1.077 610 V CB 0.357 32.271 31.823 0.151 0.000 1.054 610 V HN 0.443 nan 8.190 nan 0.000 0.477 611 T N 4.394 119.028 114.554 0.134 0.000 2.884 611 T HA 0.420 4.771 4.350 0.002 0.000 0.298 611 T C 0.261 175.029 174.700 0.114 0.000 0.998 611 T CA 0.069 62.236 62.100 0.111 0.000 1.124 611 T CB 1.086 70.022 68.868 0.112 0.000 0.931 611 T HN 0.800 nan 8.240 nan 0.000 0.531 612 T N 3.799 118.419 114.554 0.110 0.000 3.097 612 T HA 0.440 4.791 4.350 0.002 0.000 0.332 612 T C -2.970 171.822 174.700 0.153 0.000 1.269 612 T CA -1.653 60.523 62.100 0.126 0.000 1.076 612 T CB 1.305 70.247 68.868 0.122 0.000 1.209 612 T HN 0.153 nan 8.240 nan 0.000 0.474 613 P HA 0.128 nan 4.420 nan 0.000 0.262 613 P C 0.618 178.006 177.300 0.148 0.000 1.182 613 P CA 0.302 63.519 63.100 0.194 0.000 0.761 613 P CB 0.429 32.308 31.700 0.298 0.000 0.795 614 E N 3.045 123.283 120.200 0.063 0.000 2.233 614 E HA -0.307 4.044 4.350 0.002 0.000 0.199 614 E C 1.518 178.093 176.600 -0.041 0.000 1.004 614 E CA 1.130 57.544 56.400 0.022 0.000 0.819 614 E CB -0.094 29.610 29.700 0.006 0.000 0.738 614 E HN 0.443 nan 8.360 nan 0.000 0.478 615 E N -0.326 119.786 120.200 -0.147 0.000 2.130 615 E HA -0.199 4.152 4.350 0.002 0.000 0.196 615 E C 0.416 176.764 176.600 -0.420 0.000 0.998 615 E CA 1.108 57.288 56.400 -0.366 0.000 0.806 615 E CB -0.027 29.299 29.700 -0.623 0.000 0.738 615 E HN 0.511 nan 8.360 nan 0.000 0.459 616 Y N -0.296 120.010 120.300 0.011 0.000 2.746 616 Y HA 0.148 4.699 4.550 0.002 0.000 0.312 616 Y C 1.601 177.508 175.900 0.011 0.000 1.117 616 Y CA -0.337 57.769 58.100 0.009 0.000 1.324 616 Y CB -0.124 38.340 38.460 0.007 0.000 1.173 616 Y HN 0.013 nan 8.280 nan 0.000 0.529 617 M N 0.477 120.133 119.600 0.093 0.000 2.065 617 M HA -0.141 4.340 4.480 0.002 0.000 0.259 617 M C 1.992 178.329 176.300 0.061 0.000 1.069 617 M CA 2.356 57.697 55.300 0.069 0.000 1.110 617 M CB -0.677 31.943 32.600 0.033 0.000 1.328 617 M HN 0.552 nan 8.290 nan 0.000 0.405 618 G N -0.145 108.684 108.800 0.047 0.000 2.484 618 G HA2 -0.167 3.794 3.960 0.002 0.000 0.218 618 G HA3 -0.167 3.794 3.960 0.002 0.000 0.218 618 G C 1.013 175.944 174.900 0.051 0.000 1.130 618 G CA 0.694 45.817 45.100 0.039 0.000 0.784 618 G HN 0.517 nan 8.290 nan 0.000 0.543 619 D N 0.579 121.026 120.400 0.078 0.000 2.123 619 D HA -0.104 4.537 4.640 0.002 0.000 0.200 619 D C 2.825 179.164 176.300 0.064 0.000 0.976 619 D CA 1.578 55.627 54.000 0.081 0.000 0.831 619 D CB -0.284 40.594 40.800 0.131 0.000 0.974 619 D HN 0.381 nan 8.370 nan 0.000 0.469 620 V N -1.360 118.597 119.914 0.072 0.000 3.541 620 V HA 0.037 4.158 4.120 0.002 0.000 0.267 620 V C 2.044 178.170 176.094 0.053 0.000 1.213 620 V CA 0.191 62.529 62.300 0.063 0.000 1.149 620 V CB -0.166 31.697 31.823 0.067 0.000 0.822 620 V HN -0.023 nan 8.190 nan 0.000 0.462 621 I N 2.475 123.072 120.570 0.045 0.000 2.202 621 I HA -0.041 4.130 4.170 0.002 0.000 0.242 621 I C 2.457 178.586 176.117 0.021 0.000 1.091 621 I CA 2.151 63.468 61.300 0.028 0.000 1.368 621 I CB -1.230 36.786 38.000 0.026 0.000 1.058 621 I HN 0.503 nan 8.210 nan 0.000 0.410 622 G N -0.381 108.434 108.800 0.025 0.000 2.777 622 G HA2 -0.192 3.769 3.960 0.002 0.000 0.211 622 G HA3 -0.192 3.769 3.960 0.002 0.000 0.211 622 G C 1.214 176.125 174.900 0.019 0.000 1.149 622 G CA 0.657 45.769 45.100 0.020 0.000 0.785 622 G HN 0.454 nan 8.290 nan 0.000 0.536 623 D N 0.148 120.564 120.400 0.028 0.000 2.162 623 D HA 0.003 4.645 4.640 0.002 0.000 0.205 623 D C 2.271 178.581 176.300 0.016 0.000 0.964 623 D CA 0.214 54.233 54.000 0.032 0.000 0.847 623 D CB -0.146 40.684 40.800 0.051 0.000 0.988 623 D HN 0.221 nan 8.370 nan 0.000 0.480 624 L N 0.100 121.325 121.223 0.004 0.000 2.275 624 L HA -0.025 4.316 4.340 0.002 0.000 0.215 624 L C 1.713 178.554 176.870 -0.049 0.000 1.119 624 L CA 0.849 55.653 54.840 -0.060 0.000 0.790 624 L CB -0.359 41.659 42.059 -0.069 0.000 0.919 624 L HN 0.142 nan 8.230 nan 0.000 0.443 625 N N -0.276 118.414 118.700 -0.017 0.000 2.376 625 N HA -0.007 4.734 4.740 0.002 0.000 0.177 625 N C 1.417 176.924 175.510 -0.005 0.000 1.024 625 N CA 0.702 53.747 53.050 -0.008 0.000 0.893 625 N CB 0.055 38.543 38.487 0.003 0.000 0.980 625 N HN 0.202 nan 8.380 nan 0.000 0.439 626 A N 0.944 123.762 122.820 -0.003 0.000 2.310 626 A HA 0.111 4.432 4.320 0.002 0.000 0.230 626 A C 0.465 178.046 177.584 -0.004 0.000 1.294 626 A CA -0.009 52.029 52.037 0.002 0.000 0.898 626 A CB -0.309 18.696 19.000 0.009 0.000 0.917 626 A HN 0.311 nan 8.150 nan 0.000 0.491 627 R N -0.908 119.578 120.500 -0.022 0.000 2.637 627 R HA 0.465 4.807 4.340 0.002 0.000 0.446 627 R C -0.485 175.790 176.300 -0.041 0.000 1.024 627 R CA -0.800 55.279 56.100 -0.036 0.000 1.080 627 R CB -0.027 30.228 30.300 -0.074 0.000 1.421 627 R HN 0.196 nan 8.270 nan 0.000 0.593 628 R N 0.355 120.843 120.500 -0.020 0.000 1.884 628 R HA -0.118 4.223 4.340 0.002 0.000 0.377 628 R C -0.744 175.547 176.300 -0.014 0.000 1.211 628 R CA 1.094 57.188 56.100 -0.010 0.000 1.026 628 R CB -0.978 29.320 30.300 -0.004 0.000 3.052 628 R HN 0.729 nan 8.270 nan 0.000 0.489 629 G N 1.748 110.551 108.800 0.006 0.000 2.768 629 G HA2 0.390 4.351 3.960 0.002 0.000 0.297 629 G HA3 0.390 4.351 3.960 0.002 0.000 0.297 629 G C -1.815 173.119 174.900 0.056 0.000 1.430 629 G CA -0.673 44.446 45.100 0.032 0.000 1.030 629 G HN 0.247 nan 8.290 nan 0.000 0.553 630 Q N 2.353 122.224 119.800 0.118 0.000 2.372 630 Q HA 0.388 4.729 4.340 0.002 0.000 0.259 630 Q C -0.746 175.287 176.000 0.055 0.000 0.993 630 Q CA -0.650 55.219 55.803 0.110 0.000 0.854 630 Q CB 1.229 30.075 28.738 0.180 0.000 1.231 630 Q HN 0.414 nan 8.270 nan 0.000 0.462 631 I N 4.867 125.433 120.570 -0.008 0.000 2.471 631 I HA -0.062 4.109 4.170 0.002 0.000 0.286 631 I C 1.257 177.303 176.117 -0.118 0.000 1.079 631 I CA 0.363 61.623 61.300 -0.066 0.000 1.398 631 I CB 0.817 38.795 38.000 -0.037 0.000 1.403 631 I HN 0.686 nan 8.210 nan 0.000 0.530 632 L N 5.495 126.586 121.223 -0.219 0.000 2.341 632 L HA 0.300 4.641 4.340 0.002 0.000 0.214 632 L C 0.840 177.623 176.870 -0.145 0.000 1.115 632 L CA 0.262 54.942 54.840 -0.266 0.000 0.820 632 L CB -0.423 41.362 42.059 -0.456 0.000 0.944 632 L HN 0.901 nan 8.230 nan 0.000 0.452 633 G N 1.122 109.862 108.800 -0.101 0.000 2.621 633 G HA2 0.084 4.045 3.960 0.002 0.000 0.355 633 G HA3 0.084 4.045 3.960 0.002 0.000 0.355 633 G C -0.843 174.032 174.900 -0.043 0.000 1.509 633 G CA -0.790 44.274 45.100 -0.060 0.000 1.000 633 G HN -0.002 nan 8.290 nan 0.000 0.646 634 M N 0.878 120.464 119.600 -0.023 0.000 2.205 634 M HA 0.878 5.359 4.480 0.002 0.000 0.344 634 M C -0.505 175.794 176.300 -0.001 0.000 1.085 634 M CA -0.863 54.433 55.300 -0.007 0.000 1.001 634 M CB 2.080 34.681 32.600 0.002 0.000 1.626 634 M HN 0.438 nan 8.290 nan 0.000 0.442 635 E N 4.443 124.646 120.200 0.004 0.000 2.227 635 E HA 0.710 5.061 4.350 0.002 0.000 0.268 635 E C -2.806 173.803 176.600 0.015 0.000 0.907 635 E CA -1.781 54.623 56.400 0.007 0.000 0.786 635 E CB 2.226 31.928 29.700 0.004 0.000 1.191 635 E HN 0.470 nan 8.360 nan 0.000 0.411 636 P HA 0.403 nan 4.420 nan 0.000 0.292 636 P C -1.338 175.977 177.300 0.026 0.000 1.283 636 P CA -0.628 62.486 63.100 0.024 0.000 0.835 636 P CB 1.022 32.735 31.700 0.022 0.000 1.017 637 R N 1.891 122.411 120.500 0.035 0.000 2.515 637 R HA 0.512 4.853 4.340 0.002 0.000 0.278 637 R C 0.162 176.497 176.300 0.058 0.000 1.107 637 R CA 0.171 56.293 56.100 0.037 0.000 0.945 637 R CB 1.412 31.726 30.300 0.023 0.000 1.219 637 R HN 0.824 nan 8.270 nan 0.000 0.434 638 G N 3.697 112.538 108.800 0.068 0.000 2.509 638 G HA2 -0.355 3.606 3.960 0.002 0.000 0.259 638 G HA3 -0.355 3.606 3.960 0.002 0.000 0.259 638 G C -0.176 174.775 174.900 0.085 0.000 1.169 638 G CA 0.278 45.438 45.100 0.100 0.000 0.953 638 G HN 0.741 nan 8.290 nan 0.000 0.563 639 N N 2.062 120.818 118.700 0.094 0.000 2.451 639 N HA 0.596 5.337 4.740 0.002 0.000 0.264 639 N C 0.287 175.836 175.510 0.065 0.000 1.167 639 N CA 1.265 54.355 53.050 0.066 0.000 0.898 639 N CB 0.270 38.789 38.487 0.054 0.000 1.176 639 N HN 1.701 nan 8.380 nan 0.000 0.507 640 A N -0.276 122.586 122.820 0.070 0.000 3.742 640 A HA 0.746 5.067 4.320 0.002 0.000 0.282 640 A C -1.537 176.085 177.584 0.062 0.000 1.117 640 A CA -0.436 51.646 52.037 0.075 0.000 0.624 640 A CB 1.016 20.075 19.000 0.099 0.000 1.548 640 A HN 0.265 nan 8.150 nan 0.000 0.723 641 Q N -1.554 118.286 119.800 0.067 0.000 2.522 641 Q HA 0.581 4.922 4.340 0.002 0.000 0.285 641 Q C -2.151 173.883 176.000 0.057 0.000 0.982 641 Q CA -0.418 55.417 55.803 0.054 0.000 0.805 641 Q CB 2.700 31.468 28.738 0.050 0.000 1.457 641 Q HN 0.726 nan 8.270 nan 0.000 0.394 642 V N 3.197 123.136 119.914 0.043 0.000 2.320 642 V HA 0.403 4.524 4.120 0.002 0.000 0.268 642 V C -0.582 175.532 176.094 0.032 0.000 1.021 642 V CA -0.348 61.976 62.300 0.041 0.000 0.813 642 V CB 0.813 32.653 31.823 0.029 0.000 1.054 642 V HN 0.672 nan 8.190 nan 0.000 0.444 643 I N 4.206 124.800 120.570 0.039 0.000 2.278 643 I HA 0.274 4.445 4.170 0.002 0.000 0.300 643 I C 1.032 177.157 176.117 0.013 0.000 1.174 643 I CA 0.015 61.329 61.300 0.022 0.000 1.347 643 I CB -0.014 38.003 38.000 0.030 0.000 1.473 643 I HN 0.450 nan 8.210 nan 0.000 0.595 644 R N 4.335 124.832 120.500 -0.005 0.000 2.590 644 R HA 0.582 4.923 4.340 0.002 0.000 0.274 644 R C -0.147 176.105 176.300 -0.080 0.000 1.061 644 R CA 0.012 56.097 56.100 -0.024 0.000 1.081 644 R CB 0.808 31.089 30.300 -0.032 0.000 0.984 644 R HN 0.724 nan 8.270 nan 0.000 0.448 645 A N 2.749 125.514 122.820 -0.091 0.000 2.606 645 A HA 0.581 4.902 4.320 0.002 0.000 0.293 645 A C -1.646 175.903 177.584 -0.058 0.000 1.082 645 A CA -0.725 51.243 52.037 -0.114 0.000 0.685 645 A CB 1.041 20.000 19.000 -0.068 0.000 1.284 645 A HN 0.458 nan 8.150 nan 0.000 0.408 646 F N 0.730 120.653 119.950 -0.045 0.000 2.408 646 F HA 0.616 5.144 4.527 0.001 0.000 0.344 646 F C 0.314 176.055 175.800 -0.099 0.000 1.112 646 F CA -0.862 57.101 58.000 -0.062 0.000 1.096 646 F CB 1.825 40.803 39.000 -0.036 0.000 1.129 646 F HN 0.542 nan 8.300 nan 0.000 0.486 647 V N 6.062 126.014 119.914 0.063 0.000 2.739 647 V HA 0.464 4.585 4.120 0.002 0.000 0.293 647 V C -2.833 173.182 176.094 -0.131 0.000 1.199 647 V CA -2.096 60.165 62.300 -0.065 0.000 0.931 647 V CB 2.163 33.898 31.823 -0.147 0.000 1.052 647 V HN 0.433 nan 8.190 nan 0.000 0.441 648 P HA 0.135 nan 4.420 nan 0.000 0.262 648 P C 1.074 178.252 177.300 -0.203 0.000 1.199 648 P CA 0.180 63.170 63.100 -0.183 0.000 0.763 648 P CB 0.832 32.459 31.700 -0.122 0.000 0.790 649 L N 4.139 125.210 121.223 -0.253 0.000 2.197 649 L HA -0.275 4.066 4.340 0.002 0.000 0.215 649 L C 1.960 178.624 176.870 -0.344 0.000 1.095 649 L CA 2.291 56.954 54.840 -0.294 0.000 0.764 649 L CB -0.787 41.090 42.059 -0.302 0.000 0.897 649 L HN 0.348 nan 8.230 nan 0.000 0.436 650 A N 0.040 122.692 122.820 -0.281 0.000 1.859 650 A HA -0.228 4.093 4.320 0.002 0.000 0.217 650 A C 1.666 179.234 177.584 -0.026 0.000 1.198 650 A CA 1.923 53.879 52.037 -0.135 0.000 0.629 650 A CB -0.689 18.328 19.000 0.029 0.000 0.830 650 A HN 0.664 nan 8.150 nan 0.000 0.446 651 E N -1.013 119.170 120.200 -0.028 0.000 2.392 651 E HA 0.328 4.679 4.350 0.002 0.000 0.307 651 E C -0.389 176.160 176.600 -0.085 0.000 1.505 651 E CA 0.038 56.432 56.400 -0.010 0.000 1.716 651 E CB -0.059 29.642 29.700 0.000 0.000 1.450 651 E HN 0.588 nan 8.360 nan 0.000 0.484 652 M N 0.656 120.194 119.600 -0.103 0.000 3.836 652 M HA 0.125 4.606 4.480 0.002 0.000 0.525 652 M C -0.779 175.508 176.300 -0.022 0.000 1.740 652 M CA -0.261 54.955 55.300 -0.141 0.000 0.680 652 M CB 0.779 33.195 32.600 -0.306 0.000 1.532 652 M HN 0.093 nan 8.290 nan 0.000 0.574 653 F N 1.639 121.590 119.950 0.001 0.000 2.494 653 F HA 0.441 4.969 4.527 0.002 0.000 0.369 653 F C 1.328 177.152 175.800 0.039 0.000 1.098 653 F CA 1.058 59.074 58.000 0.027 0.000 1.154 653 F CB 0.357 39.374 39.000 0.029 0.000 1.103 653 F HN 0.465 nan 8.300 nan 0.000 0.549 654 G N 4.309 113.292 108.800 0.305 0.000 2.370 654 G HA2 -0.354 3.607 3.960 0.002 0.000 0.268 654 G HA3 -0.354 3.607 3.960 0.002 0.000 0.268 654 G C 0.231 175.204 174.900 0.121 0.000 1.122 654 G CA 0.003 45.212 45.100 0.181 0.000 0.963 654 G HN 0.718 nan 8.290 nan 0.000 0.500 655 Y N 0.102 120.356 120.300 -0.077 0.000 2.517 655 Y HA 0.392 4.943 4.550 0.002 0.000 0.281 655 Y C 2.413 178.111 175.900 -0.336 0.000 1.125 655 Y CA 1.467 59.390 58.100 -0.295 0.000 1.283 655 Y CB -0.121 37.997 38.460 -0.570 0.000 1.042 655 Y HN 0.572 nan 8.280 nan 0.000 0.547 656 A N -0.308 122.437 122.820 -0.125 0.000 1.851 656 A HA -0.202 4.119 4.320 0.002 0.000 0.216 656 A C 1.903 179.405 177.584 -0.137 0.000 1.195 656 A CA 2.276 54.271 52.037 -0.070 0.000 0.622 656 A CB -1.435 17.622 19.000 0.094 0.000 0.831 656 A HN 0.440 nan 8.150 nan 0.000 0.444 657 T N -3.701 110.812 114.554 -0.068 0.000 3.268 657 T HA 0.295 4.646 4.350 0.002 0.000 0.244 657 T C 0.368 175.013 174.700 -0.092 0.000 0.915 657 T CA 0.427 62.492 62.100 -0.060 0.000 0.935 657 T CB 0.422 69.288 68.868 -0.003 0.000 1.110 657 T HN 0.469 nan 8.240 nan 0.000 0.573 658 D N -0.263 120.026 120.400 -0.185 0.000 2.331 658 D HA 0.121 4.762 4.640 0.002 0.000 0.300 658 D C 1.615 177.739 176.300 -0.294 0.000 1.090 658 D CA -0.188 53.706 54.000 -0.177 0.000 0.905 658 D CB 0.462 41.207 40.800 -0.092 0.000 1.600 658 D HN 0.349 nan 8.370 nan 0.000 0.511 659 L N 1.670 122.540 121.223 -0.588 0.000 2.056 659 L HA -0.092 4.249 4.340 0.002 0.000 0.207 659 L C 2.310 178.974 176.870 -0.343 0.000 1.078 659 L CA 1.337 55.805 54.840 -0.619 0.000 0.749 659 L CB -0.070 41.349 42.059 -1.067 0.000 0.901 659 L HN 0.023 nan 8.230 nan 0.000 0.433 660 R N -1.681 118.661 120.500 -0.263 0.000 2.320 660 R HA 0.007 4.348 4.340 0.002 0.000 0.211 660 R C 1.816 178.035 176.300 -0.135 0.000 0.931 660 R CA 0.881 56.886 56.100 -0.158 0.000 1.071 660 R CB -0.182 30.080 30.300 -0.063 0.000 1.025 660 R HN 0.110 nan 8.270 nan 0.000 0.495 661 S N 0.427 116.041 115.700 -0.143 0.000 2.441 661 S HA 0.026 4.497 4.470 0.002 0.000 0.224 661 S C 1.600 176.128 174.600 -0.120 0.000 1.043 661 S CA 0.429 58.567 58.200 -0.104 0.000 0.948 661 S CB 0.085 63.238 63.200 -0.077 0.000 0.810 661 S HN 0.406 nan 8.310 nan 0.000 0.504 662 K N 0.984 121.293 120.400 -0.152 0.000 2.387 662 K HA 0.160 4.481 4.320 0.002 0.000 0.198 662 K C 0.520 176.938 176.600 -0.303 0.000 1.022 662 K CA 0.857 57.060 56.287 -0.140 0.000 1.128 662 K CB 0.261 32.714 32.500 -0.079 0.000 0.853 662 K HN 0.516 nan 8.250 nan 0.000 0.523 663 T N -3.297 110.974 114.554 -0.471 0.000 3.275 663 T HA 0.082 4.433 4.350 0.002 0.000 0.298 663 T C -0.024 174.199 174.700 -0.796 0.000 0.988 663 T CA -0.389 61.109 62.100 -1.002 0.000 0.936 663 T CB 0.195 68.702 68.868 -0.601 0.000 1.159 663 T HN 0.101 nan 8.240 nan 0.000 0.519 664 Q N 1.159 120.713 119.800 -0.410 0.000 2.475 664 Q HA -0.129 4.212 4.340 0.002 0.000 0.280 664 Q C 0.950 176.894 176.000 -0.093 0.000 1.234 664 Q CA 1.368 57.072 55.803 -0.166 0.000 0.873 664 Q CB -2.097 26.616 28.738 -0.042 0.000 1.256 664 Q HN 1.671 nan 8.270 nan 0.000 0.475 665 G N -0.213 108.530 108.800 -0.096 0.000 2.314 665 G HA2 -0.336 3.625 3.960 0.002 0.000 0.292 665 G HA3 -0.336 3.625 3.960 0.002 0.000 0.292 665 G C 0.329 175.235 174.900 0.009 0.000 1.059 665 G CA 0.437 45.525 45.100 -0.020 0.000 0.982 665 G HN 0.534 nan 8.290 nan 0.000 0.505 666 R N -0.860 119.626 120.500 -0.024 0.000 2.539 666 R HA 0.284 4.625 4.340 0.002 0.000 0.342 666 R C 1.334 177.668 176.300 0.056 0.000 0.941 666 R CA 0.114 56.237 56.100 0.038 0.000 1.146 666 R CB 0.962 31.302 30.300 0.066 0.000 1.541 666 R HN 0.452 nan 8.270 nan 0.000 0.525 667 G N 0.701 109.510 108.800 0.015 0.000 2.451 667 G HA2 0.433 4.395 3.960 0.002 0.000 0.303 667 G HA3 0.433 4.395 3.960 0.002 0.000 0.303 667 G C -0.152 174.843 174.900 0.158 0.000 1.166 667 G CA -0.156 44.974 45.100 0.049 0.000 0.884 667 G HN 0.132 nan 8.290 nan 0.000 0.514 668 S N -0.825 115.002 115.700 0.213 0.000 2.732 668 S HA 0.881 5.352 4.470 0.002 0.000 0.293 668 S C -0.960 173.843 174.600 0.339 0.000 1.159 668 S CA -0.831 57.586 58.200 0.362 0.000 0.847 668 S CB 1.944 65.398 63.200 0.424 0.000 1.169 668 S HN 1.631 nan 8.310 nan 0.000 0.501 669 F N -1.452 118.488 119.950 -0.015 0.000 2.719 669 F HA 0.781 5.309 4.527 0.001 0.000 0.309 669 F C -1.702 174.084 175.800 -0.023 0.000 1.138 669 F CA -1.269 56.714 58.000 -0.029 0.000 0.943 669 F CB 1.056 40.046 39.000 -0.015 0.000 1.304 669 F HN 0.753 nan 8.300 nan 0.000 0.445 670 V N 0.975 120.826 119.914 -0.104 0.000 2.623 670 V HA 0.722 4.843 4.120 0.002 0.000 0.304 670 V C -1.093 174.657 176.094 -0.574 0.000 1.054 670 V CA -0.758 61.376 62.300 -0.276 0.000 0.882 670 V CB 1.652 33.454 31.823 -0.036 0.000 1.002 670 V HN 1.176 nan 8.190 nan 0.000 0.424 671 M N 5.709 124.907 119.600 -0.671 0.000 2.465 671 M HA 0.881 5.362 4.480 0.002 0.000 0.316 671 M C -1.753 174.096 176.300 -0.752 0.000 1.121 671 M CA -0.435 54.460 55.300 -0.675 0.000 0.934 671 M CB 2.152 34.665 32.600 -0.146 0.000 1.692 671 M HN 0.919 nan 8.290 nan 0.000 0.444 672 F N 1.026 121.025 119.950 0.080 0.000 2.877 672 F HA 0.527 5.055 4.527 0.002 0.000 0.319 672 F C -1.489 174.371 175.800 0.100 0.000 1.174 672 F CA -1.331 56.727 58.000 0.097 0.000 0.903 672 F CB 0.762 39.825 39.000 0.106 0.000 1.357 672 F HN 0.411 nan 8.300 nan 0.000 0.472 673 F N 1.418 121.503 119.950 0.225 0.000 2.375 673 F HA 0.427 4.955 4.527 0.002 0.000 0.333 673 F C 0.262 176.124 175.800 0.104 0.000 1.104 673 F CA 0.263 58.306 58.000 0.072 0.000 1.149 673 F CB 1.414 40.418 39.000 0.006 0.000 1.190 673 F HN 0.714 nan 8.300 nan 0.000 0.533 674 D N 0.356 120.236 120.400 -0.866 0.000 2.760 674 D HA 0.076 4.717 4.640 0.002 0.000 0.285 674 D C -0.668 175.284 176.300 -0.579 0.000 1.178 674 D CA 0.538 54.261 54.000 -0.462 0.000 1.031 674 D CB 0.344 41.090 40.800 -0.091 0.000 1.544 674 D HN 0.643 nan 8.370 nan 0.000 0.468 675 H N -2.520 115.922 119.070 -1.047 0.000 2.863 675 H HA 0.253 4.811 4.556 0.002 0.000 0.274 675 H C -1.882 173.173 175.328 -0.455 0.000 1.457 675 H CA -0.688 55.026 56.048 -0.556 0.000 1.151 675 H CB -0.001 29.624 29.762 -0.228 0.000 1.844 675 H HN -0.027 nan 8.280 nan 0.000 0.562 676 Y N 0.702 120.855 120.300 -0.246 0.000 2.341 676 Y HA 0.374 4.925 4.550 0.002 0.000 0.338 676 Y C 0.048 175.834 175.900 -0.189 0.000 0.965 676 Y CA -0.401 57.586 58.100 -0.189 0.000 1.108 676 Y CB 2.273 40.770 38.460 0.063 0.000 1.180 676 Y HN 0.601 nan 8.280 nan 0.000 0.458 677 Q N 1.753 121.494 119.800 -0.097 0.000 2.348 677 Q HA 0.411 4.752 4.340 0.002 0.000 0.271 677 Q C -1.382 174.663 176.000 0.075 0.000 1.067 677 Q CA -0.955 54.843 55.803 -0.007 0.000 0.839 677 Q CB 1.352 30.025 28.738 -0.108 0.000 1.354 677 Q HN 0.546 nan 8.270 nan 0.000 0.447 678 E N 1.086 121.333 120.200 0.078 0.000 2.328 678 E HA 0.195 4.546 4.350 0.002 0.000 0.265 678 E C -0.472 176.162 176.600 0.056 0.000 1.057 678 E CA -0.208 56.235 56.400 0.071 0.000 0.916 678 E CB 0.307 30.041 29.700 0.056 0.000 0.993 678 E HN 0.448 nan 8.360 nan 0.000 0.446 679 V N 2.545 122.500 119.914 0.068 0.000 2.673 679 V HA 0.170 4.291 4.120 0.002 0.000 0.303 679 V C -1.785 174.331 176.094 0.035 0.000 1.046 679 V CA -1.483 60.850 62.300 0.056 0.000 1.126 679 V CB -0.026 31.838 31.823 0.069 0.000 0.934 679 V HN 0.544 nan 8.190 nan 0.000 0.487 680 P HA 0.132 nan 4.420 nan 0.000 0.282 680 P C 0.886 178.197 177.300 0.017 0.000 1.286 680 P CA -0.361 62.752 63.100 0.022 0.000 0.777 680 P CB 0.417 32.129 31.700 0.020 0.000 1.184 681 K N 1.332 121.740 120.400 0.014 0.000 2.000 681 K HA -0.269 4.052 4.320 0.002 0.000 0.218 681 K C 1.751 178.355 176.600 0.006 0.000 1.053 681 K CA 2.642 58.934 56.287 0.010 0.000 0.946 681 K CB -1.498 31.007 32.500 0.009 0.000 0.723 681 K HN 0.497 nan 8.250 nan 0.000 0.446 682 Q N 1.142 120.946 119.800 0.008 0.000 2.230 682 Q HA -0.019 4.322 4.340 0.002 0.000 0.202 682 Q C 2.018 178.020 176.000 0.004 0.000 0.963 682 Q CA 1.342 57.148 55.803 0.005 0.000 0.866 682 Q CB -0.238 28.505 28.738 0.008 0.000 0.931 682 Q HN 0.158 nan 8.270 nan 0.000 0.452 683 V N 1.161 121.080 119.914 0.009 0.000 2.287 683 V HA -0.308 3.813 4.120 0.002 0.000 0.248 683 V C 2.518 178.606 176.094 -0.011 0.000 1.053 683 V CA 2.215 64.522 62.300 0.011 0.000 1.027 683 V CB -0.932 30.908 31.823 0.028 0.000 0.646 683 V HN 0.485 nan 8.190 nan 0.000 0.447 684 Q N -0.183 119.609 119.800 -0.013 0.000 2.096 684 Q HA -0.323 4.018 4.340 0.002 0.000 0.208 684 Q C 2.218 178.195 176.000 -0.039 0.000 0.993 684 Q CA 2.341 58.126 55.803 -0.031 0.000 0.862 684 Q CB -0.181 28.548 28.738 -0.015 0.000 0.915 684 Q HN 0.691 nan 8.270 nan 0.000 0.416 685 E N -0.273 119.913 120.200 -0.023 0.000 2.489 685 E HA -0.030 4.321 4.350 0.002 0.000 0.193 685 E C 1.404 177.992 176.600 -0.020 0.000 1.057 685 E CA 0.026 56.413 56.400 -0.021 0.000 0.866 685 E CB 0.353 30.046 29.700 -0.012 0.000 0.916 685 E HN 0.173 nan 8.360 nan 0.000 0.500 686 K N -0.109 120.280 120.400 -0.019 0.000 2.076 686 K HA -0.032 4.289 4.320 0.002 0.000 0.204 686 K C 1.724 178.309 176.600 -0.024 0.000 1.051 686 K CA 0.626 56.906 56.287 -0.012 0.000 0.949 686 K CB 0.046 32.547 32.500 0.002 0.000 0.726 686 K HN 0.154 nan 8.250 nan 0.000 0.443 687 L N 1.157 122.350 121.223 -0.050 0.000 2.549 687 L HA -0.098 4.243 4.340 0.002 0.000 0.230 687 L C 0.315 177.142 176.870 -0.072 0.000 1.162 687 L CA 0.602 55.394 54.840 -0.081 0.000 0.834 687 L CB -0.186 41.770 42.059 -0.173 0.000 0.947 687 L HN 0.198 nan 8.230 nan 0.000 0.452 688 I N 0.000 120.539 120.570 -0.052 0.000 2.984 688 I HA 0.000 4.171 4.170 0.002 0.000 0.288 688 I CA 0.000 61.275 61.300 -0.042 0.000 1.566 688 I CB 0.000 37.973 38.000 -0.045 0.000 1.214 688 I HN 0.000 nan 8.210 nan 0.000 0.494