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 4cox_1_A DATA FIRST_RESID 33 DATA SEQUENCE ANPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNIPFLRSLI MKYVLTSRSY LIDSPPTYNV DATA SEQUENCE HYGYKSWEAF SNLSYYTRAL PPVADDcPTP MGVKGNKELP DSKEVLEKVL DATA SEQUENCE LRREFIPDPQ GSNMMFAFFA QHFTHQFFKT DHKRGPGFTR GLGHGVDLNH DATA SEQUENCE IYGETLDRQH KLRLFKDGKL KYQVIGGEVY PPTVKDTQVE MIYPPHIPEN DATA SEQUENCE LQFAVGQEVF GLVPGLMMYA TIWLREHQRV CDILKQEHPE WGDEQLFQTS DATA SEQUENCE KLILIGETIK IVIEDYVQHL SGYHFKLKFD PELLFNQQFQ YQNRIASEFN DATA SEQUENCE TLYHWHPLLP DTFNIEDQEY SFKQFLYNNS ILLEHGLTQF VESFTRQIAG DATA SEQUENCE RVAGGRNVPI AVQAVAKASI DQSREMKYQS LNEYRKRFSL KPYTSFEELT DATA SEQUENCE GEKEMAAELK ALYSDIDVME LYPALLVEKP RPDAIFGETM VELGAPFSLK DATA SEQUENCE GLMGNPICSP QYWKPSTFGG EVGFKIINTA SIQSLIcNNV KGcPFTSFNV DATA SEQUENCE Q 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 33 A HA 0.000 nan 4.320 nan 0.000 0.244 33 A C 0.000 177.638 177.584 0.090 0.000 1.274 33 A CA 0.000 52.085 52.037 0.080 0.000 0.836 33 A CB 0.000 19.059 19.000 0.098 0.000 0.831 34 N N 2.648 121.389 118.700 0.069 0.000 2.417 34 N HA 0.087 4.832 4.740 0.009 0.000 0.272 34 N C -1.603 173.939 175.510 0.054 0.000 1.304 34 N CA -0.545 52.542 53.050 0.061 0.000 0.906 34 N CB 1.114 39.624 38.487 0.038 0.000 1.135 34 N HN 0.285 nan 8.380 nan 0.000 0.483 35 P HA -0.042 nan 4.420 nan 0.000 0.236 35 P C 0.508 177.817 177.300 0.015 0.000 1.172 35 P CA 0.622 63.783 63.100 0.102 0.000 0.759 35 P CB 0.106 31.915 31.700 0.181 0.000 0.843 36 c N -2.031 116.556 118.600 -0.023 0.000 2.926 36 c HA 0.129 4.704 4.570 0.009 0.000 0.272 36 c C 2.766 176.784 174.090 -0.119 0.000 1.249 36 c CA -0.197 56.060 56.329 -0.120 0.000 1.691 36 c CB -1.752 40.720 42.510 -0.062 0.000 1.983 36 c HN 0.330 nan 8.230 nan 0.000 0.615 37 c N 1.953 120.515 118.600 -0.063 0.000 2.392 37 c HA -0.164 4.411 4.570 0.009 0.000 0.276 37 c C 2.788 176.832 174.090 -0.077 0.000 1.212 37 c CA 2.298 58.596 56.329 -0.051 0.000 1.791 37 c CB -1.404 41.096 42.510 -0.017 0.000 2.063 37 c HN 0.808 nan 8.230 nan 0.000 0.481 38 S N 0.291 115.929 115.700 -0.104 0.000 2.660 38 S HA -0.031 4.444 4.470 0.009 0.000 0.228 38 S C 0.458 174.969 174.600 -0.149 0.000 0.966 38 S CA 0.438 58.571 58.200 -0.112 0.000 0.940 38 S CB -0.998 62.133 63.200 -0.115 0.000 0.773 38 S HN 0.758 nan 8.310 nan 0.000 0.535 39 N N 1.741 120.339 118.700 -0.170 0.000 2.716 39 N HA -0.110 4.636 4.740 0.009 0.000 0.250 39 N C -1.842 173.545 175.510 -0.206 0.000 1.033 39 N CA 0.839 53.780 53.050 -0.181 0.000 0.727 39 N CB -0.977 37.419 38.487 -0.152 0.000 0.950 39 N HN 0.537 nan 8.380 nan 0.000 0.541 40 P HA -0.052 nan 4.420 nan 0.000 0.225 40 P C 0.180 177.370 177.300 -0.184 0.000 1.148 40 P CA 0.744 63.656 63.100 -0.312 0.000 0.779 40 P CB 0.022 31.292 31.700 -0.717 0.000 0.780 41 c N 2.747 121.249 118.600 -0.164 0.000 2.322 41 c HA 0.323 4.898 4.570 0.009 0.000 0.343 41 c C 1.006 175.036 174.090 -0.098 0.000 1.190 41 c CA -0.722 55.562 56.329 -0.075 0.000 1.704 41 c CB -0.977 41.514 42.510 -0.031 0.000 2.293 41 c HN 0.259 nan 8.230 nan 0.000 0.523 42 Q N 1.707 121.445 119.800 -0.103 0.000 2.397 42 Q HA 0.174 4.519 4.340 0.009 0.000 0.193 42 Q C 0.871 176.747 176.000 -0.206 0.000 1.083 42 Q CA 0.000 55.705 55.803 -0.165 0.000 1.108 42 Q CB 0.237 28.861 28.738 -0.190 0.000 1.172 42 Q HN 0.680 nan 8.270 nan 0.000 0.617 43 N N 0.355 118.862 118.700 -0.322 0.000 2.654 43 N HA -0.291 4.454 4.740 0.009 0.000 0.248 43 N C 0.063 175.471 175.510 -0.171 0.000 1.116 43 N CA 1.394 54.203 53.050 -0.403 0.000 0.730 43 N CB -0.382 37.509 38.487 -0.992 0.000 1.040 43 N HN 0.652 nan 8.380 nan 0.000 0.548 44 R N -3.195 117.230 120.500 -0.125 0.000 3.296 44 R HA -0.110 4.235 4.340 0.009 0.000 0.488 44 R C 0.757 177.048 176.300 -0.016 0.000 0.695 44 R CA 1.255 57.316 56.100 -0.065 0.000 1.396 44 R CB -1.634 28.646 30.300 -0.033 0.000 2.084 44 R HN 0.430 nan 8.270 nan 0.000 0.427 45 G N 0.514 109.312 108.800 -0.003 0.000 2.690 45 G HA2 0.240 4.205 3.960 0.009 0.000 0.239 45 G HA3 0.240 4.205 3.960 0.009 0.000 0.239 45 G C -0.494 174.424 174.900 0.030 0.000 1.233 45 G CA -0.171 44.950 45.100 0.036 0.000 0.847 45 G HN 0.308 nan 8.290 nan 0.000 0.588 46 E N -1.124 119.112 120.200 0.060 0.000 2.204 46 E HA 0.320 4.676 4.350 0.009 0.000 0.276 46 E C -0.678 175.966 176.600 0.075 0.000 0.974 46 E CA -0.564 55.881 56.400 0.074 0.000 0.815 46 E CB 1.956 31.724 29.700 0.113 0.000 1.119 46 E HN 0.401 nan 8.360 nan 0.000 0.393 47 c N 4.147 122.781 118.600 0.057 0.000 2.358 47 c HA 0.652 5.228 4.570 0.009 0.000 0.342 47 c C -0.447 173.702 174.090 0.099 0.000 1.234 47 c CA -0.373 55.998 56.329 0.069 0.000 1.969 47 c CB -0.023 42.469 42.510 -0.030 0.000 2.346 47 c HN 0.743 nan 8.230 nan 0.000 0.525 48 M N 4.812 124.495 119.600 0.138 0.000 2.322 48 M HA 0.299 4.785 4.480 0.009 0.000 0.286 48 M C -0.220 176.154 176.300 0.124 0.000 1.111 48 M CA -0.041 55.326 55.300 0.112 0.000 0.941 48 M CB 2.308 34.961 32.600 0.088 0.000 1.671 48 M HN 0.807 nan 8.290 nan 0.000 0.470 49 S N 2.221 117.976 115.700 0.090 0.000 2.503 49 S HA 0.167 4.642 4.470 0.009 0.000 0.317 49 S C 0.580 175.195 174.600 0.026 0.000 1.162 49 S CA -0.414 57.831 58.200 0.074 0.000 1.124 49 S CB -0.924 62.298 63.200 0.037 0.000 1.207 49 S HN 0.682 nan 8.310 nan 0.000 0.538 50 T N 0.253 114.829 114.554 0.036 0.000 3.629 50 T HA 0.601 4.956 4.350 0.009 0.000 0.317 50 T C 0.655 175.354 174.700 -0.002 0.000 1.690 50 T CA -0.077 62.025 62.100 0.003 0.000 1.276 50 T CB -0.868 68.001 68.868 0.002 0.000 1.205 50 T HN 1.477 nan 8.240 nan 0.000 0.824 51 G N 1.130 109.911 108.800 -0.032 0.000 2.484 51 G HA2 0.028 3.993 3.960 0.009 0.000 0.685 51 G HA3 0.028 3.993 3.960 0.009 0.000 0.685 51 G C -0.190 174.725 174.900 0.024 0.000 1.294 51 G CA -0.708 44.386 45.100 -0.010 0.000 0.879 51 G HN 0.186 nan 8.290 nan 0.000 0.646 52 F N 0.098 120.069 119.950 0.035 0.000 2.091 52 F HA -0.032 4.501 4.527 0.008 0.000 0.299 52 F C 2.332 178.162 175.800 0.050 0.000 1.103 52 F CA 2.283 60.307 58.000 0.040 0.000 1.228 52 F CB 0.149 39.168 39.000 0.032 0.000 0.984 52 F HN 0.435 nan 8.300 nan 0.000 0.477 53 D N -0.813 119.736 120.400 0.250 0.000 2.402 53 D HA 0.102 4.748 4.640 0.009 0.000 0.216 53 D C 0.024 176.409 176.300 0.142 0.000 1.128 53 D CA 0.291 54.392 54.000 0.168 0.000 0.833 53 D CB 0.294 41.169 40.800 0.125 0.000 0.971 53 D HN 0.314 nan 8.370 nan 0.000 0.503 54 Q N -0.025 119.849 119.800 0.124 0.000 2.351 54 Q HA 0.512 4.858 4.340 0.009 0.000 0.273 54 Q C -0.771 175.308 176.000 0.132 0.000 1.077 54 Q CA -0.880 54.969 55.803 0.077 0.000 0.843 54 Q CB 1.992 30.735 28.738 0.008 0.000 1.367 54 Q HN 0.144 nan 8.270 nan 0.000 0.449 55 Y N -2.245 118.070 120.300 0.026 0.000 2.644 55 Y HA 0.850 5.406 4.550 0.009 0.000 0.338 55 Y C -1.377 174.535 175.900 0.020 0.000 1.119 55 Y CA -1.198 56.914 58.100 0.020 0.000 1.060 55 Y CB 1.637 40.109 38.460 0.019 0.000 1.294 55 Y HN 0.365 nan 8.280 nan 0.000 0.472 56 K N 1.537 122.059 120.400 0.203 0.000 2.525 56 K HA 0.563 4.888 4.320 0.009 0.000 0.254 56 K C -2.155 174.571 176.600 0.209 0.000 0.934 56 K CA -0.365 55.976 56.287 0.091 0.000 0.802 56 K CB 2.023 34.545 32.500 0.036 0.000 1.295 56 K HN 0.995 nan 8.250 nan 0.000 0.433 57 c N 2.238 120.946 118.600 0.179 0.000 2.295 57 c HA 0.300 4.875 4.570 0.009 0.000 0.331 57 c C 0.066 174.219 174.090 0.105 0.000 1.280 57 c CA -0.693 55.730 56.329 0.156 0.000 1.746 57 c CB 0.338 42.946 42.510 0.163 0.000 2.328 57 c HN 0.681 nan 8.230 nan 0.000 0.521 58 D N 1.862 122.317 120.400 0.092 0.000 2.522 58 D HA 0.194 4.839 4.640 0.009 0.000 0.218 58 D C 0.585 176.935 176.300 0.083 0.000 1.149 58 D CA -0.308 53.739 54.000 0.079 0.000 0.981 58 D CB 0.105 40.947 40.800 0.071 0.000 1.041 58 D HN 0.655 nan 8.370 nan 0.000 0.518 59 c N 2.556 121.214 118.600 0.097 0.000 2.477 59 c HA 0.071 4.646 4.570 0.009 0.000 0.321 59 c C 0.929 175.087 174.090 0.113 0.000 1.369 59 c CA -0.378 56.023 56.329 0.119 0.000 1.607 59 c CB -2.198 40.410 42.510 0.162 0.000 1.632 59 c HN 0.448 nan 8.230 nan 0.000 0.597 60 T N 1.231 115.836 114.554 0.084 0.000 2.908 60 T HA 0.082 4.438 4.350 0.009 0.000 0.301 60 T C 1.094 175.838 174.700 0.072 0.000 1.019 60 T CA 0.424 62.565 62.100 0.068 0.000 1.152 60 T CB 0.107 69.004 68.868 0.049 0.000 0.966 60 T HN 0.629 nan 8.240 nan 0.000 0.540 61 R N -0.055 120.485 120.500 0.065 0.000 4.023 61 R HA -0.251 4.094 4.340 0.009 0.000 0.368 61 R C 1.988 178.342 176.300 0.090 0.000 1.187 61 R CA 1.452 57.587 56.100 0.060 0.000 1.089 61 R CB -2.228 28.098 30.300 0.043 0.000 1.574 61 R HN 0.948 nan 8.270 nan 0.000 0.564 62 T N -4.369 110.265 114.554 0.135 0.000 2.821 62 T HA 0.065 4.420 4.350 0.009 0.000 0.267 62 T C 1.569 176.437 174.700 0.280 0.000 1.046 62 T CA 1.427 63.655 62.100 0.212 0.000 1.139 62 T CB 0.171 69.187 68.868 0.247 0.000 0.871 62 T HN 0.804 nan 8.240 nan 0.000 0.454 63 G N 0.391 109.295 108.800 0.172 0.000 2.148 63 G HA2 -0.054 3.912 3.960 0.009 0.000 0.203 63 G HA3 -0.054 3.912 3.960 0.009 0.000 0.203 63 G C -0.150 174.554 174.900 -0.327 0.000 0.993 63 G CA -0.166 44.904 45.100 -0.049 0.000 0.661 63 G HN 0.561 nan 8.290 nan 0.000 0.518 64 F N -0.552 119.459 119.950 0.102 0.000 2.629 64 F HA 0.827 5.360 4.527 0.009 0.000 0.316 64 F C 0.176 176.092 175.800 0.194 0.000 1.081 64 F CA -1.291 56.757 58.000 0.080 0.000 0.954 64 F CB 1.416 40.407 39.000 -0.015 0.000 1.337 64 F HN 0.234 nan 8.300 nan 0.000 0.474 65 Y N -1.126 119.298 120.300 0.207 0.000 2.705 65 Y HA 0.928 5.485 4.550 0.010 0.000 0.332 65 Y C -0.025 175.947 175.900 0.120 0.000 1.157 65 Y CA -1.976 56.199 58.100 0.126 0.000 1.091 65 Y CB 1.057 39.560 38.460 0.072 0.000 1.301 65 Y HN 1.077 nan 8.280 nan 0.000 0.488 66 G N 0.212 109.179 108.800 0.278 0.000 2.662 66 G HA2 -0.189 3.776 3.960 0.009 0.000 0.686 66 G HA3 -0.189 3.776 3.960 0.009 0.000 0.686 66 G C 0.298 175.262 174.900 0.107 0.000 1.271 66 G CA -0.053 45.136 45.100 0.149 0.000 0.816 66 G HN 1.210 nan 8.290 nan 0.000 0.608 67 E N -0.138 120.108 120.200 0.076 0.000 2.136 67 E HA -0.266 4.090 4.350 0.009 0.000 0.208 67 E C 1.432 178.103 176.600 0.117 0.000 1.035 67 E CA 2.075 58.514 56.400 0.065 0.000 0.838 67 E CB -0.078 29.645 29.700 0.039 0.000 0.748 67 E HN 0.421 nan 8.360 nan 0.000 0.459 68 N N -0.971 117.787 118.700 0.097 0.000 2.282 68 N HA 0.107 4.853 4.740 0.009 0.000 0.240 68 N C -0.824 174.703 175.510 0.028 0.000 1.182 68 N CA 0.466 53.569 53.050 0.087 0.000 0.874 68 N CB 0.376 38.899 38.487 0.060 0.000 1.126 68 N HN 0.170 nan 8.380 nan 0.000 0.516 69 c N 0.526 119.161 118.600 0.059 0.000 4.167 69 c HA -0.133 4.443 4.570 0.009 0.000 0.302 69 c C 1.843 175.905 174.090 -0.047 0.000 1.384 69 c CA 1.019 57.390 56.329 0.069 0.000 2.041 69 c CB -3.015 39.523 42.510 0.046 0.000 1.303 69 c HN 0.574 nan 8.230 nan 0.000 0.718 70 T N -3.125 111.418 114.554 -0.017 0.000 3.087 70 T HA 0.136 4.491 4.350 0.009 0.000 0.237 70 T C 0.832 175.578 174.700 0.076 0.000 0.990 70 T CA 1.059 63.120 62.100 -0.065 0.000 1.160 70 T CB -0.172 68.665 68.868 -0.051 0.000 0.923 70 T HN 0.821 nan 8.240 nan 0.000 0.442 71 T N 5.244 119.765 114.554 -0.055 0.000 2.799 71 T HA 0.314 4.670 4.350 0.009 0.000 0.296 71 T C -2.596 171.903 174.700 -0.335 0.000 0.947 71 T CA -1.720 60.233 62.100 -0.246 0.000 1.141 71 T CB 0.414 68.968 68.868 -0.522 0.000 0.891 71 T HN 0.093 nan 8.240 nan 0.000 0.533 72 P HA 0.304 nan 4.420 nan 0.000 0.276 72 P C -0.253 176.929 177.300 -0.196 0.000 1.244 72 P CA -0.441 62.383 63.100 -0.461 0.000 0.801 72 P CB 0.788 32.251 31.700 -0.396 0.000 1.006 73 E N 0.068 120.191 120.200 -0.129 0.000 2.373 73 E HA 0.089 4.444 4.350 0.009 0.000 0.263 73 E C 0.853 177.489 176.600 0.060 0.000 1.073 73 E CA -0.193 56.305 56.400 0.162 0.000 0.894 73 E CB -0.065 29.658 29.700 0.037 0.000 1.008 73 E HN 0.378 nan 8.360 nan 0.000 0.420 74 F N 3.175 123.144 119.950 0.030 0.000 2.087 74 F HA -0.256 4.277 4.527 0.009 0.000 0.299 74 F C 1.500 177.278 175.800 -0.036 0.000 1.100 74 F CA 1.624 59.623 58.000 -0.002 0.000 1.226 74 F CB -0.191 38.814 39.000 0.008 0.000 0.983 74 F HN 0.502 nan 8.300 nan 0.000 0.479 75 L N -0.126 120.934 121.223 -0.272 0.000 2.353 75 L HA -0.175 4.171 4.340 0.009 0.000 0.220 75 L C 2.044 178.722 176.870 -0.319 0.000 1.133 75 L CA 1.697 56.307 54.840 -0.384 0.000 0.798 75 L CB -0.555 41.431 42.059 -0.122 0.000 0.922 75 L HN 0.267 nan 8.230 nan 0.000 0.445 76 T N -1.233 113.150 114.554 -0.285 0.000 2.942 76 T HA -0.082 4.274 4.350 0.009 0.000 0.265 76 T C 1.887 176.439 174.700 -0.246 0.000 1.062 76 T CA 0.747 62.664 62.100 -0.305 0.000 1.139 76 T CB -0.045 68.492 68.868 -0.552 0.000 0.883 76 T HN 0.352 nan 8.240 nan 0.000 0.468 77 R N 0.932 121.279 120.500 -0.254 0.000 2.082 77 R HA -0.034 4.312 4.340 0.009 0.000 0.234 77 R C 2.373 178.560 176.300 -0.189 0.000 1.136 77 R CA 1.508 57.502 56.100 -0.176 0.000 0.935 77 R CB -0.807 29.394 30.300 -0.166 0.000 0.842 77 R HN 0.353 nan 8.270 nan 0.000 0.430 78 I N 1.478 121.856 120.570 -0.319 0.000 2.091 78 I HA -0.410 3.766 4.170 0.009 0.000 0.240 78 I C 2.330 178.359 176.117 -0.147 0.000 1.046 78 I CA 1.773 62.915 61.300 -0.263 0.000 1.306 78 I CB -0.522 37.270 38.000 -0.347 0.000 1.018 78 I HN 0.205 nan 8.210 nan 0.000 0.404 79 K N 0.685 121.003 120.400 -0.137 0.000 2.063 79 K HA -0.170 4.156 4.320 0.009 0.000 0.208 79 K C 2.135 178.717 176.600 -0.030 0.000 1.048 79 K CA 1.394 57.639 56.287 -0.070 0.000 0.928 79 K CB -0.389 32.076 32.500 -0.060 0.000 0.713 79 K HN 0.353 nan 8.250 nan 0.000 0.442 80 L N 0.958 122.165 121.223 -0.027 0.000 2.012 80 L HA -0.156 4.190 4.340 0.009 0.000 0.210 80 L C 1.701 178.570 176.870 -0.001 0.000 1.073 80 L CA 1.013 55.861 54.840 0.013 0.000 0.748 80 L CB -0.450 41.627 42.059 0.030 0.000 0.891 80 L HN 0.172 nan 8.230 nan 0.000 0.431 81 L N 1.144 122.352 121.223 -0.025 0.000 2.912 81 L HA -0.012 4.333 4.340 0.009 0.000 0.246 81 L C 0.260 177.114 176.870 -0.026 0.000 1.371 81 L CA -0.091 54.736 54.840 -0.022 0.000 1.196 81 L CB 0.145 42.185 42.059 -0.032 0.000 1.596 81 L HN 0.314 nan 8.230 nan 0.000 0.429 82 L N -0.827 120.386 121.223 -0.016 0.000 4.914 82 L HA 0.159 4.504 4.340 0.009 0.000 0.494 82 L C 0.074 176.943 176.870 -0.001 0.000 0.929 82 L CA 0.280 55.110 54.840 -0.018 0.000 1.912 82 L CB 0.089 42.128 42.059 -0.033 0.000 1.710 82 L HN 0.069 nan 8.230 nan 0.000 0.601 83 K N 3.088 123.497 120.400 0.015 0.000 2.263 83 K HA 0.494 4.820 4.320 0.009 0.000 0.282 83 K C -2.130 174.494 176.600 0.040 0.000 1.089 83 K CA -1.589 54.721 56.287 0.038 0.000 0.907 83 K CB 0.717 33.251 32.500 0.057 0.000 1.148 83 K HN -0.049 nan 8.250 nan 0.000 0.470 84 P HA 0.001 nan 4.420 nan 0.000 0.267 84 P C -0.408 176.929 177.300 0.061 0.000 1.205 84 P CA -0.337 62.788 63.100 0.042 0.000 0.765 84 P CB 0.578 32.303 31.700 0.041 0.000 0.828 85 T N 1.125 115.713 114.554 0.056 0.000 2.795 85 T HA 0.076 4.432 4.350 0.009 0.000 0.314 85 T C -1.669 173.083 174.700 0.088 0.000 1.069 85 T CA -1.038 61.100 62.100 0.064 0.000 1.071 85 T CB -0.365 68.537 68.868 0.057 0.000 0.988 85 T HN 0.172 nan 8.240 nan 0.000 0.543 86 P HA -0.143 nan 4.420 nan 0.000 0.215 86 P C 1.586 178.981 177.300 0.159 0.000 1.157 86 P CA 1.265 64.432 63.100 0.112 0.000 0.874 86 P CB -0.077 31.671 31.700 0.080 0.000 0.790 87 N N -1.270 117.515 118.700 0.142 0.000 2.166 87 N HA -0.107 4.638 4.740 0.009 0.000 0.186 87 N C 1.601 177.260 175.510 0.247 0.000 1.019 87 N CA 1.685 54.853 53.050 0.197 0.000 0.856 87 N CB -1.076 37.495 38.487 0.141 0.000 0.993 87 N HN 0.223 nan 8.380 nan 0.000 0.426 88 T N 1.845 116.495 114.554 0.160 0.000 2.607 88 T HA -0.097 4.258 4.350 0.009 0.000 0.267 88 T C 2.351 177.164 174.700 0.189 0.000 1.049 88 T CA 1.434 63.611 62.100 0.128 0.000 1.162 88 T CB -0.541 68.365 68.868 0.063 0.000 0.863 88 T HN 0.017 nan 8.240 nan 0.000 0.424 89 V N 1.433 121.443 119.914 0.161 0.000 2.343 89 V HA -0.206 3.920 4.120 0.009 0.000 0.247 89 V C 2.418 178.593 176.094 0.135 0.000 1.051 89 V CA 1.795 64.176 62.300 0.135 0.000 1.036 89 V CB -0.934 30.957 31.823 0.112 0.000 0.654 89 V HN 0.638 nan 8.190 nan 0.000 0.451 90 H N -0.986 118.147 119.070 0.105 0.000 2.387 90 H HA -0.250 4.312 4.556 0.009 0.000 0.299 90 H C 2.276 177.710 175.328 0.177 0.000 1.099 90 H CA 2.432 58.535 56.048 0.092 0.000 1.315 90 H CB -0.053 29.799 29.762 0.150 0.000 1.380 90 H HN 0.537 nan 8.280 nan 0.000 0.513 91 Y N 1.443 121.847 120.300 0.173 0.000 2.092 91 Y HA -0.169 4.386 4.550 0.009 0.000 0.282 91 Y C 2.747 178.883 175.900 0.394 0.000 1.126 91 Y CA 2.009 60.292 58.100 0.304 0.000 1.111 91 Y CB -0.648 37.942 38.460 0.217 0.000 0.987 91 Y HN 0.089 nan 8.280 nan 0.000 0.489 92 I N -0.151 120.785 120.570 0.610 0.000 2.399 92 I HA -0.317 3.858 4.170 0.009 0.000 0.254 92 I C 2.057 178.460 176.117 0.476 0.000 1.146 92 I CA 0.693 62.276 61.300 0.472 0.000 1.412 92 I CB -0.550 37.521 38.000 0.117 0.000 1.076 92 I HN 0.320 nan 8.210 nan 0.000 0.432 93 L N 0.626 121.916 121.223 0.112 0.000 2.023 93 L HA -0.095 4.250 4.340 0.009 0.000 0.205 93 L C 2.442 179.094 176.870 -0.365 0.000 1.073 93 L CA 2.098 56.755 54.840 -0.306 0.000 0.745 93 L CB -1.534 39.976 42.059 -0.915 0.000 0.900 93 L HN 0.285 nan 8.230 nan 0.000 0.435 94 T N -1.350 112.983 114.554 -0.368 0.000 3.160 94 T HA 0.048 4.403 4.350 0.009 0.000 0.257 94 T C 0.724 175.104 174.700 -0.534 0.000 1.147 94 T CA 0.219 61.968 62.100 -0.584 0.000 1.064 94 T CB -0.194 68.298 68.868 -0.627 0.000 0.949 94 T HN 0.297 nan 8.240 nan 0.000 0.526 95 H N -0.749 118.390 119.070 0.116 0.000 3.379 95 H HA 0.349 4.910 4.556 0.009 0.000 0.298 95 H C 0.139 175.951 175.328 0.807 0.000 1.672 95 H CA -1.478 54.758 56.048 0.312 0.000 1.446 95 H CB 0.445 30.181 29.762 -0.043 0.000 1.710 95 H HN 0.045 nan 8.280 nan 0.000 0.791 96 F N 0.115 120.333 119.950 0.448 0.000 3.097 96 F HA -0.265 4.267 4.527 0.008 0.000 0.278 96 F C 1.864 177.851 175.800 0.312 0.000 0.917 96 F CA 0.930 59.105 58.000 0.293 0.000 0.962 96 F CB -1.594 37.512 39.000 0.177 0.000 0.964 96 F HN 0.500 nan 8.300 nan 0.000 0.668 97 K N 0.950 121.523 120.400 0.289 0.000 2.071 97 K HA -0.259 4.066 4.320 0.009 0.000 0.217 97 K C 2.389 179.042 176.600 0.088 0.000 1.054 97 K CA 2.083 58.315 56.287 -0.091 0.000 0.937 97 K CB -0.819 31.206 32.500 -0.792 0.000 0.719 97 K HN 0.527 nan 8.250 nan 0.000 0.454 98 G N 0.314 109.142 108.800 0.046 0.000 2.469 98 G HA2 -0.262 3.703 3.960 0.009 0.000 0.219 98 G HA3 -0.262 3.703 3.960 0.009 0.000 0.219 98 G C 1.491 176.435 174.900 0.072 0.000 1.150 98 G CA 1.241 46.371 45.100 0.049 0.000 0.763 98 G HN 0.255 nan 8.290 nan 0.000 0.561 99 V N -0.441 119.514 119.914 0.070 0.000 2.261 99 V HA -0.172 3.954 4.120 0.009 0.000 0.246 99 V C 2.443 178.512 176.094 -0.042 0.000 1.047 99 V CA 1.892 64.169 62.300 -0.038 0.000 1.015 99 V CB -0.817 30.920 31.823 -0.142 0.000 0.642 99 V HN 0.585 nan 8.190 nan 0.000 0.446 100 W N 0.592 121.971 121.300 0.132 0.000 2.318 100 W HA -0.282 4.383 4.660 0.008 0.000 0.313 100 W C 2.584 179.182 176.519 0.132 0.000 1.221 100 W CA 1.894 59.332 57.345 0.155 0.000 1.266 100 W CB -0.664 28.937 29.460 0.235 0.000 1.150 100 W HN 0.331 nan 8.180 nan 0.000 0.496 101 N N 0.580 119.466 118.700 0.309 0.000 2.205 101 N HA -0.196 4.550 4.740 0.009 0.000 0.186 101 N C 1.347 176.947 175.510 0.150 0.000 1.015 101 N CA 1.878 55.047 53.050 0.199 0.000 0.862 101 N CB -0.409 38.146 38.487 0.114 0.000 0.986 101 N HN 0.148 nan 8.380 nan 0.000 0.429 102 I N -0.813 119.826 120.570 0.115 0.000 2.163 102 I HA -0.236 3.940 4.170 0.009 0.000 0.240 102 I C 2.079 178.252 176.117 0.093 0.000 1.081 102 I CA 0.662 62.007 61.300 0.075 0.000 1.353 102 I CB -0.439 37.582 38.000 0.035 0.000 1.054 102 I HN 0.033 nan 8.210 nan 0.000 0.407 103 V N 1.210 121.192 119.914 0.113 0.000 2.231 103 V HA -0.324 3.802 4.120 0.009 0.000 0.250 103 V C 1.370 177.592 176.094 0.214 0.000 1.058 103 V CA 1.892 64.280 62.300 0.147 0.000 1.022 103 V CB -0.847 31.090 31.823 0.191 0.000 0.640 103 V HN 0.484 nan 8.190 nan 0.000 0.445 104 N N 0.722 119.602 118.700 0.300 0.000 2.810 104 N HA -0.049 4.697 4.740 0.009 0.000 0.217 104 N C 0.316 175.892 175.510 0.110 0.000 1.647 104 N CA 0.363 53.558 53.050 0.242 0.000 0.945 104 N CB -1.236 37.378 38.487 0.213 0.000 1.316 104 N HN 0.535 nan 8.380 nan 0.000 0.512 105 I N -0.041 120.505 120.570 -0.039 0.000 2.755 105 I HA -0.319 3.856 4.170 0.009 0.000 0.126 105 I C -1.064 174.831 176.117 -0.370 0.000 0.885 105 I CA -0.551 60.676 61.300 -0.123 0.000 2.786 105 I CB -0.583 37.439 38.000 0.037 0.000 0.577 105 I HN 0.086 nan 8.210 nan 0.000 0.352 106 P HA -0.288 nan 4.420 nan 0.000 0.214 106 P C 1.483 178.461 177.300 -0.536 0.000 1.099 106 P CA 2.103 64.783 63.100 -0.700 0.000 0.976 106 P CB -0.043 31.019 31.700 -1.064 0.000 0.774 107 F N -1.711 118.288 119.950 0.082 0.000 2.079 107 F HA -0.247 4.286 4.527 0.009 0.000 0.296 107 F C 2.517 178.363 175.800 0.077 0.000 1.084 107 F CA 1.154 59.197 58.000 0.071 0.000 1.236 107 F CB -2.095 36.937 39.000 0.053 0.000 0.984 107 F HN -0.075 nan 8.300 nan 0.000 0.488 108 L N -0.565 120.719 121.223 0.102 0.000 2.005 108 L HA -0.180 4.165 4.340 0.009 0.000 0.207 108 L C 2.854 179.782 176.870 0.097 0.000 1.072 108 L CA 1.529 56.422 54.840 0.089 0.000 0.744 108 L CB -0.462 41.637 42.059 0.066 0.000 0.895 108 L HN 0.104 nan 8.230 nan 0.000 0.433 109 R N -0.466 120.114 120.500 0.133 0.000 2.091 109 R HA -0.174 4.171 4.340 0.009 0.000 0.238 109 R C 2.274 178.751 176.300 0.295 0.000 1.136 109 R CA 1.929 58.229 56.100 0.333 0.000 0.959 109 R CB -0.120 30.386 30.300 0.343 0.000 0.856 109 R HN 0.295 nan 8.270 nan 0.000 0.437 110 S N 1.407 117.200 115.700 0.155 0.000 2.356 110 S HA -0.172 4.304 4.470 0.009 0.000 0.223 110 S C 1.857 176.542 174.600 0.141 0.000 1.032 110 S CA 1.379 59.658 58.200 0.132 0.000 1.005 110 S CB -0.403 62.855 63.200 0.096 0.000 0.867 110 S HN 0.462 nan 8.310 nan 0.000 0.449 111 L N 1.677 122.978 121.223 0.131 0.000 2.046 111 L HA -0.035 4.310 4.340 0.009 0.000 0.208 111 L C 1.891 178.838 176.870 0.129 0.000 1.077 111 L CA 1.643 56.553 54.840 0.116 0.000 0.747 111 L CB -0.609 41.505 42.059 0.092 0.000 0.896 111 L HN 0.135 nan 8.230 nan 0.000 0.432 112 I N -0.418 120.211 120.570 0.098 0.000 2.142 112 I HA -0.242 3.934 4.170 0.009 0.000 0.240 112 I C 2.580 178.809 176.117 0.187 0.000 1.078 112 I CA 1.776 63.101 61.300 0.042 0.000 1.343 112 I CB -1.138 36.662 38.000 -0.333 0.000 1.046 112 I HN 0.450 nan 8.210 nan 0.000 0.405 113 M N 1.329 121.116 119.600 0.312 0.000 2.108 113 M HA -0.223 4.262 4.480 0.009 0.000 0.261 113 M C 2.249 178.662 176.300 0.188 0.000 1.066 113 M CA 1.810 57.314 55.300 0.340 0.000 1.107 113 M CB -0.691 32.103 32.600 0.324 0.000 1.356 113 M HN 0.102 nan 8.290 nan 0.000 0.406 114 K N -1.526 118.968 120.400 0.156 0.000 2.113 114 K HA -0.261 4.064 4.320 0.009 0.000 0.208 114 K C 2.106 178.792 176.600 0.142 0.000 1.047 114 K CA 1.849 58.201 56.287 0.108 0.000 0.928 114 K CB -0.540 32.025 32.500 0.109 0.000 0.716 114 K HN 0.488 nan 8.250 nan 0.000 0.446 115 Y N 1.075 121.418 120.300 0.072 0.000 2.314 115 Y HA -0.145 4.410 4.550 0.008 0.000 0.293 115 Y C 1.856 177.814 175.900 0.098 0.000 1.129 115 Y CA 1.186 59.330 58.100 0.073 0.000 1.201 115 Y CB -0.178 38.312 38.460 0.050 0.000 0.999 115 Y HN 0.022 nan 8.280 nan 0.000 0.541 116 V N -1.672 118.211 119.914 -0.052 0.000 2.358 116 V HA -0.188 3.937 4.120 0.009 0.000 0.246 116 V C 2.052 178.102 176.094 -0.075 0.000 1.047 116 V CA 1.604 63.845 62.300 -0.098 0.000 1.035 116 V CB -1.000 30.892 31.823 0.116 0.000 0.658 116 V HN 0.293 nan 8.190 nan 0.000 0.452 117 L N 2.117 123.333 121.223 -0.011 0.000 1.970 117 L HA -0.127 4.218 4.340 0.009 0.000 0.212 117 L C 3.093 179.976 176.870 0.021 0.000 1.071 117 L CA 3.007 57.844 54.840 -0.006 0.000 0.751 117 L CB -2.107 39.916 42.059 -0.061 0.000 0.889 117 L HN 0.741 nan 8.230 nan 0.000 0.432 118 T N -2.721 111.844 114.554 0.019 0.000 2.652 118 T HA -0.205 4.150 4.350 0.009 0.000 0.267 118 T C 2.074 176.837 174.700 0.105 0.000 1.039 118 T CA 1.923 64.078 62.100 0.092 0.000 1.153 118 T CB -0.967 67.963 68.868 0.104 0.000 0.863 118 T HN 0.414 nan 8.240 nan 0.000 0.428 119 S N 1.962 117.634 115.700 -0.048 0.000 2.359 119 S HA -0.123 4.352 4.470 0.009 0.000 0.224 119 S C 2.244 176.841 174.600 -0.006 0.000 1.035 119 S CA 0.899 59.127 58.200 0.048 0.000 1.018 119 S CB -0.526 62.488 63.200 -0.310 0.000 0.876 119 S HN 0.322 nan 8.310 nan 0.000 0.448 120 R N 1.806 122.264 120.500 -0.070 0.000 2.088 120 R HA 0.088 4.433 4.340 0.009 0.000 0.232 120 R C 2.861 179.117 176.300 -0.074 0.000 1.136 120 R CA 1.888 57.947 56.100 -0.068 0.000 0.926 120 R CB -1.414 28.877 30.300 -0.016 0.000 0.837 120 R HN 0.530 nan 8.270 nan 0.000 0.429 121 S N 0.110 115.822 115.700 0.020 0.000 2.374 121 S HA -0.231 4.244 4.470 0.009 0.000 0.227 121 S C 1.698 176.303 174.600 0.010 0.000 1.037 121 S CA 1.584 59.819 58.200 0.058 0.000 1.024 121 S CB -0.650 62.694 63.200 0.239 0.000 0.861 121 S HN 0.563 nan 8.310 nan 0.000 0.456 122 Y N 1.698 121.994 120.300 -0.007 0.000 2.639 122 Y HA -0.017 4.539 4.550 0.009 0.000 0.289 122 Y C 1.509 177.368 175.900 -0.068 0.000 1.155 122 Y CA 0.434 58.517 58.100 -0.028 0.000 1.379 122 Y CB -0.400 38.054 38.460 -0.010 0.000 0.967 122 Y HN 0.133 nan 8.280 nan 0.000 0.569 123 L N 0.431 121.336 121.223 -0.531 0.000 2.418 123 L HA 0.121 4.467 4.340 0.009 0.000 0.218 123 L C 0.293 176.935 176.870 -0.380 0.000 1.125 123 L CA 0.510 54.988 54.840 -0.602 0.000 0.835 123 L CB -0.653 41.086 42.059 -0.534 0.000 0.953 123 L HN 0.194 nan 8.230 nan 0.000 0.454 124 I N -0.734 119.716 120.570 -0.201 0.000 2.577 124 I HA 0.176 4.352 4.170 0.009 0.000 0.305 124 I C 0.036 176.123 176.117 -0.051 0.000 0.986 124 I CA -0.536 60.710 61.300 -0.091 0.000 1.189 124 I CB 0.736 38.732 38.000 -0.007 0.000 1.355 124 I HN -0.165 nan 8.210 nan 0.000 0.476 125 D N 3.129 123.526 120.400 -0.005 0.000 2.316 125 D HA 0.379 5.025 4.640 0.009 0.000 0.245 125 D C -0.699 175.592 176.300 -0.015 0.000 1.171 125 D CA 0.194 54.192 54.000 -0.003 0.000 0.856 125 D CB 1.227 42.040 40.800 0.022 0.000 1.090 125 D HN 0.319 nan 8.370 nan 0.000 0.476 126 S N 2.215 117.891 115.700 -0.040 0.000 2.736 126 S HA 0.434 4.910 4.470 0.009 0.000 0.285 126 S C -2.503 172.070 174.600 -0.045 0.000 1.163 126 S CA -1.137 57.030 58.200 -0.056 0.000 1.025 126 S CB 1.255 64.382 63.200 -0.122 0.000 1.030 126 S HN 0.142 nan 8.310 nan 0.000 0.486 127 P HA 0.238 nan 4.420 nan 0.000 0.270 127 P C -2.473 174.840 177.300 0.022 0.000 1.223 127 P CA -0.908 62.214 63.100 0.037 0.000 0.785 127 P CB -0.024 31.740 31.700 0.106 0.000 0.923 128 P HA 0.079 nan 4.420 nan 0.000 0.272 128 P C -0.797 176.483 177.300 -0.034 0.000 1.240 128 P CA 0.162 63.255 63.100 -0.011 0.000 0.791 128 P CB 0.481 32.139 31.700 -0.070 0.000 0.978 129 T N -2.568 111.940 114.554 -0.076 0.000 2.923 129 T HA 0.552 4.907 4.350 0.009 0.000 0.311 129 T C -1.185 173.403 174.700 -0.187 0.000 1.183 129 T CA -0.640 61.297 62.100 -0.272 0.000 1.020 129 T CB 0.390 68.990 68.868 -0.447 0.000 1.165 129 T HN 0.422 nan 8.240 nan 0.000 0.482 130 Y N -0.079 120.220 120.300 -0.001 0.000 2.511 130 Y HA 0.021 4.577 4.550 0.010 0.000 0.022 130 Y C 0.208 176.079 175.900 -0.048 0.000 1.706 130 Y CA 0.709 58.803 58.100 -0.010 0.000 1.416 130 Y CB -1.095 37.362 38.460 -0.006 0.000 2.062 130 Y HN 1.473 nan 8.280 nan 0.000 0.255 131 N N -3.077 115.693 118.700 0.117 0.000 3.339 131 N HA 0.480 5.225 4.740 0.009 0.000 0.275 131 N C -0.074 175.430 175.510 -0.010 0.000 1.514 131 N CA -0.378 52.675 53.050 0.004 0.000 0.879 131 N CB 0.365 38.747 38.487 -0.175 0.000 1.557 131 N HN 0.435 nan 8.380 nan 0.000 0.524 132 V N 0.201 120.090 119.914 -0.041 0.000 2.242 132 V HA -0.345 3.781 4.120 0.009 0.000 0.257 132 V C 1.741 177.838 176.094 0.004 0.000 1.073 132 V CA 2.507 64.761 62.300 -0.077 0.000 1.058 132 V CB -1.177 30.468 31.823 -0.297 0.000 0.664 132 V HN 0.729 nan 8.190 nan 0.000 0.451 133 H N -2.844 116.206 119.070 -0.033 0.000 2.547 133 H HA 0.203 4.765 4.556 0.009 0.000 0.272 133 H C 0.119 175.074 175.328 -0.623 0.000 0.971 133 H CA -0.073 55.819 56.048 -0.259 0.000 1.245 133 H CB -0.063 29.551 29.762 -0.246 0.000 1.440 133 H HN 0.503 nan 8.280 nan 0.000 0.540 134 Y N 0.404 120.648 120.300 -0.094 0.000 2.491 134 Y HA 0.368 4.924 4.550 0.009 0.000 0.334 134 Y C 1.520 177.335 175.900 -0.142 0.000 0.969 134 Y CA -0.592 57.336 58.100 -0.287 0.000 1.241 134 Y CB 1.500 39.787 38.460 -0.289 0.000 1.105 134 Y HN 0.081 nan 8.280 nan 0.000 0.503 135 G N 2.589 111.267 108.800 -0.203 0.000 2.744 135 G HA2 -0.070 3.896 3.960 0.009 0.000 0.211 135 G HA3 -0.070 3.896 3.960 0.009 0.000 0.211 135 G C -0.135 174.967 174.900 0.335 0.000 1.143 135 G CA 0.432 45.533 45.100 0.002 0.000 0.788 135 G HN 0.571 nan 8.290 nan 0.000 0.534 136 Y N -3.279 117.279 120.300 0.431 0.000 2.602 136 Y HA 0.763 5.318 4.550 0.009 0.000 0.342 136 Y C 1.048 177.004 175.900 0.093 0.000 1.029 136 Y CA -2.530 55.770 58.100 0.334 0.000 1.080 136 Y CB 0.950 39.539 38.460 0.215 0.000 1.284 136 Y HN -0.208 nan 8.280 nan 0.000 0.485 137 K N 1.450 121.921 120.400 0.118 0.000 2.034 137 K HA -0.136 4.190 4.320 0.009 0.000 0.214 137 K C 0.346 176.952 176.600 0.009 0.000 1.051 137 K CA 1.857 58.080 56.287 -0.106 0.000 0.931 137 K CB -0.522 31.908 32.500 -0.116 0.000 0.715 137 K HN 0.989 nan 8.250 nan 0.000 0.446 138 S N -0.975 114.824 115.700 0.165 0.000 3.789 138 S HA -0.252 4.223 4.470 0.009 0.000 0.853 138 S C 0.770 175.370 174.600 0.000 0.000 1.269 138 S CA 0.733 58.983 58.200 0.083 0.000 0.777 138 S CB -0.693 62.547 63.200 0.068 0.000 0.990 138 S HN 0.494 nan 8.310 nan 0.000 0.296 139 W N 3.384 124.644 121.300 -0.066 0.000 2.374 139 W HA -0.124 4.542 4.660 0.009 0.000 0.288 139 W C 1.858 178.381 176.519 0.006 0.000 1.218 139 W CA 1.772 59.125 57.345 0.012 0.000 1.245 139 W CB -0.427 29.036 29.460 0.004 0.000 1.126 139 W HN 1.081 nan 8.180 nan 0.000 0.545 140 E N 0.924 121.063 120.200 -0.101 0.000 2.028 140 E HA -0.157 4.199 4.350 0.009 0.000 0.191 140 E C 2.257 178.593 176.600 -0.440 0.000 0.988 140 E CA 2.404 58.660 56.400 -0.240 0.000 0.799 140 E CB -0.826 28.681 29.700 -0.321 0.000 0.755 140 E HN 0.037 nan 8.360 nan 0.000 0.447 141 A N -0.005 122.431 122.820 -0.639 0.000 1.940 141 A HA -0.155 4.170 4.320 0.009 0.000 0.219 141 A C 2.211 179.555 177.584 -0.399 0.000 1.176 141 A CA 1.637 53.356 52.037 -0.529 0.000 0.631 141 A CB -0.994 17.788 19.000 -0.364 0.000 0.814 141 A HN 0.525 nan 8.150 nan 0.000 0.446 142 F N 1.695 121.360 119.950 -0.475 0.000 2.128 142 F HA -0.107 4.426 4.527 0.009 0.000 0.295 142 F C 2.552 178.038 175.800 -0.522 0.000 1.100 142 F CA 2.091 59.784 58.000 -0.512 0.000 1.260 142 F CB -0.377 38.218 39.000 -0.676 0.000 1.009 142 F HN 0.261 nan 8.300 nan 0.000 0.476 143 S N -0.778 114.296 115.700 -1.042 0.000 2.470 143 S HA 0.023 4.499 4.470 0.009 0.000 0.222 143 S C 0.987 175.321 174.600 -0.443 0.000 1.024 143 S CA 0.024 57.691 58.200 -0.889 0.000 0.931 143 S CB -0.816 62.072 63.200 -0.520 0.000 0.791 143 S HN 0.365 nan 8.310 nan 0.000 0.513 144 N N 2.484 121.027 118.700 -0.262 0.000 2.454 144 N HA 0.127 4.872 4.740 0.009 0.000 0.285 144 N C 0.544 176.054 175.510 0.001 0.000 1.233 144 N CA -0.048 52.994 53.050 -0.014 0.000 1.036 144 N CB -0.279 38.362 38.487 0.256 0.000 1.423 144 N HN 0.450 nan 8.380 nan 0.000 0.495 145 L N 1.239 122.398 121.223 -0.107 0.000 2.651 145 L HA -0.109 4.236 4.340 0.009 0.000 0.236 145 L C 1.481 178.385 176.870 0.056 0.000 1.173 145 L CA 0.518 55.277 54.840 -0.136 0.000 0.843 145 L CB -0.197 41.752 42.059 -0.184 0.000 0.964 145 L HN 0.366 nan 8.230 nan 0.000 0.454 146 S N -1.681 114.088 115.700 0.115 0.000 2.603 146 S HA 0.070 4.546 4.470 0.009 0.000 0.220 146 S C 0.075 174.782 174.600 0.178 0.000 0.967 146 S CA 0.113 58.367 58.200 0.090 0.000 0.920 146 S CB -0.151 63.047 63.200 -0.002 0.000 0.773 146 S HN 0.230 nan 8.310 nan 0.000 0.529 147 Y N -0.313 120.028 120.300 0.068 0.000 2.496 147 Y HA 0.482 5.037 4.550 0.009 0.000 0.331 147 Y C -0.228 175.628 175.900 -0.072 0.000 1.140 147 Y CA -1.365 56.702 58.100 -0.056 0.000 1.166 147 Y CB 0.628 39.032 38.460 -0.093 0.000 1.249 147 Y HN -0.001 nan 8.280 nan 0.000 0.479 148 Y N 0.465 120.850 120.300 0.142 0.000 2.308 148 Y HA 0.230 4.785 4.550 0.010 0.000 0.329 148 Y C 0.848 176.800 175.900 0.086 0.000 1.111 148 Y CA -0.456 57.710 58.100 0.111 0.000 1.179 148 Y CB 1.346 39.830 38.460 0.040 0.000 1.201 148 Y HN 0.543 nan 8.280 nan 0.000 0.483 149 T N 2.581 117.277 114.554 0.237 0.000 2.726 149 T HA 0.386 4.741 4.350 0.009 0.000 0.294 149 T C -0.521 174.255 174.700 0.127 0.000 1.013 149 T CA -0.397 61.773 62.100 0.117 0.000 0.996 149 T CB 0.402 69.309 68.868 0.066 0.000 1.016 149 T HN 0.627 nan 8.240 nan 0.000 0.529 150 R N 0.929 121.504 120.500 0.126 0.000 2.502 150 R HA 0.653 4.999 4.340 0.009 0.000 0.300 150 R C 0.728 177.149 176.300 0.202 0.000 0.984 150 R CA 0.066 56.240 56.100 0.125 0.000 0.882 150 R CB 0.845 31.182 30.300 0.062 0.000 1.180 150 R HN 0.691 nan 8.270 nan 0.000 0.444 151 A N 4.773 127.760 122.820 0.279 0.000 1.933 151 A HA 0.070 4.395 4.320 0.009 0.000 0.218 151 A C 0.348 178.046 177.584 0.190 0.000 1.175 151 A CA 1.031 53.277 52.037 0.349 0.000 0.628 151 A CB -0.149 19.233 19.000 0.636 0.000 0.814 151 A HN 0.510 nan 8.150 nan 0.000 0.444 152 L N 0.544 121.837 121.223 0.116 0.000 2.385 152 L HA 0.353 4.698 4.340 0.009 0.000 0.273 152 L C -2.418 174.308 176.870 -0.239 0.000 0.990 152 L CA -2.577 52.166 54.840 -0.162 0.000 0.821 152 L CB 2.498 44.317 42.059 -0.399 0.000 1.279 152 L HN 0.044 nan 8.230 nan 0.000 0.412 153 P HA 0.069 nan 4.420 nan 0.000 0.269 153 P C -2.651 174.499 177.300 -0.251 0.000 1.211 153 P CA -0.771 62.051 63.100 -0.464 0.000 0.781 153 P CB -0.224 31.024 31.700 -0.753 0.000 0.877 154 P HA 0.079 nan 4.420 nan 0.000 0.302 154 P C -0.399 176.848 177.300 -0.088 0.000 1.301 154 P CA -0.127 62.913 63.100 -0.099 0.000 0.745 154 P CB 0.468 32.136 31.700 -0.053 0.000 1.331 155 V N -0.249 119.643 119.914 -0.037 0.000 2.483 155 V HA 0.406 4.532 4.120 0.009 0.000 0.295 155 V C 0.535 176.619 176.094 -0.017 0.000 1.035 155 V CA -0.886 61.397 62.300 -0.029 0.000 0.896 155 V CB 0.938 32.761 31.823 0.000 0.000 0.986 155 V HN 0.714 nan 8.190 nan 0.000 0.447 156 A N 3.038 125.846 122.820 -0.019 0.000 2.566 156 A HA 0.057 4.383 4.320 0.009 0.000 0.245 156 A C 0.932 178.520 177.584 0.007 0.000 1.056 156 A CA -0.039 51.995 52.037 -0.006 0.000 0.757 156 A CB -0.279 18.723 19.000 0.004 0.000 0.979 156 A HN 0.936 nan 8.150 nan 0.000 0.508 157 D N 0.878 121.283 120.400 0.007 0.000 2.389 157 D HA -0.093 4.552 4.640 0.009 0.000 0.221 157 D C 0.626 176.940 176.300 0.023 0.000 0.974 157 D CA 1.801 55.811 54.000 0.016 0.000 0.923 157 D CB 0.207 41.014 40.800 0.011 0.000 0.892 157 D HN 0.745 nan 8.370 nan 0.000 0.518 158 D N -0.124 120.291 120.400 0.026 0.000 3.008 158 D HA 0.047 4.693 4.640 0.009 0.000 0.312 158 D C -0.673 175.646 176.300 0.032 0.000 1.361 158 D CA -0.455 53.565 54.000 0.033 0.000 0.858 158 D CB -0.632 40.194 40.800 0.043 0.000 1.098 158 D HN -0.042 nan 8.370 nan 0.000 0.482 159 c N 1.902 120.517 118.600 0.026 0.000 2.355 159 c HA 0.369 4.944 4.570 0.009 0.000 0.332 159 c C -0.361 173.744 174.090 0.026 0.000 1.255 159 c CA -1.172 55.170 56.329 0.022 0.000 1.792 159 c CB 2.035 44.553 42.510 0.013 0.000 2.300 159 c HN 0.298 nan 8.230 nan 0.000 0.515 160 P HA -0.126 nan 4.420 nan 0.000 0.215 160 P C 0.449 177.766 177.300 0.029 0.000 1.163 160 P CA 1.925 65.041 63.100 0.027 0.000 0.894 160 P CB -0.187 31.529 31.700 0.025 0.000 0.791 161 T N -5.983 108.590 114.554 0.031 0.000 2.885 161 T HA 0.437 4.792 4.350 0.009 0.000 0.285 161 T C -2.259 172.467 174.700 0.044 0.000 1.019 161 T CA -2.343 59.780 62.100 0.039 0.000 1.010 161 T CB 2.123 71.017 68.868 0.043 0.000 1.022 161 T HN -0.256 nan 8.240 nan 0.000 0.466 162 P HA -0.095 nan 4.420 nan 0.000 0.218 162 P C 1.151 178.491 177.300 0.067 0.000 1.152 162 P CA 1.234 64.373 63.100 0.065 0.000 0.857 162 P CB 0.010 31.758 31.700 0.080 0.000 0.787 163 M N -1.635 118.005 119.600 0.068 0.000 2.652 163 M HA 0.255 4.741 4.480 0.009 0.000 0.226 163 M C 1.369 177.683 176.300 0.023 0.000 1.244 163 M CA 0.499 55.833 55.300 0.057 0.000 0.986 163 M CB -1.064 31.577 32.600 0.067 0.000 1.666 163 M HN 0.115 nan 8.290 nan 0.000 0.460 164 G N 0.252 109.063 108.800 0.018 0.000 4.794 164 G HA2 -0.265 3.700 3.960 0.009 0.000 0.275 164 G HA3 -0.265 3.700 3.960 0.009 0.000 0.275 164 G C 0.508 175.411 174.900 0.006 0.000 1.648 164 G CA 0.291 45.390 45.100 -0.002 0.000 1.154 164 G HN 0.298 nan 8.290 nan 0.000 0.680 165 V N 1.565 121.481 119.914 0.004 0.000 3.251 165 V HA 0.414 4.539 4.120 0.009 0.000 0.239 165 V C 1.039 177.146 176.094 0.021 0.000 1.332 165 V CA 1.610 63.916 62.300 0.010 0.000 1.224 165 V CB 0.112 31.936 31.823 0.001 0.000 1.004 165 V HN 0.461 nan 8.190 nan 0.000 0.464 166 K N 1.052 121.465 120.400 0.021 0.000 2.319 166 K HA 0.492 4.817 4.320 0.009 0.000 0.265 166 K C 0.448 177.082 176.600 0.055 0.000 1.000 166 K CA 0.904 57.212 56.287 0.036 0.000 0.943 166 K CB 0.538 33.057 32.500 0.032 0.000 0.950 166 K HN 0.631 nan 8.250 nan 0.000 0.485 167 G N 1.481 110.321 108.800 0.067 0.000 2.728 167 G HA2 -0.216 3.749 3.960 0.009 0.000 0.294 167 G HA3 -0.216 3.749 3.960 0.009 0.000 0.294 167 G C -0.781 174.157 174.900 0.063 0.000 1.342 167 G CA -0.865 44.285 45.100 0.083 0.000 0.866 167 G HN 0.658 nan 8.290 nan 0.000 0.534 168 N N -0.250 118.488 118.700 0.063 0.000 2.434 168 N HA 0.274 5.019 4.740 0.009 0.000 0.266 168 N C 1.197 176.731 175.510 0.041 0.000 1.223 168 N CA -0.503 52.573 53.050 0.043 0.000 0.972 168 N CB 1.102 39.608 38.487 0.030 0.000 1.207 168 N HN 0.487 nan 8.380 nan 0.000 0.525 169 K N 0.618 121.036 120.400 0.030 0.000 2.520 169 K HA -0.094 4.231 4.320 0.009 0.000 0.198 169 K C -0.417 176.202 176.600 0.031 0.000 1.045 169 K CA 1.354 57.658 56.287 0.029 0.000 0.934 169 K CB -0.126 32.387 32.500 0.021 0.000 0.766 169 K HN 0.516 nan 8.250 nan 0.000 0.483 170 E N -1.811 118.409 120.200 0.032 0.000 2.401 170 E HA 0.236 4.592 4.350 0.009 0.000 0.280 170 E C -1.478 175.143 176.600 0.034 0.000 1.039 170 E CA -0.704 55.716 56.400 0.033 0.000 0.814 170 E CB 1.053 30.764 29.700 0.018 0.000 1.275 170 E HN -0.228 nan 8.360 nan 0.000 0.448 171 L N 2.240 123.491 121.223 0.046 0.000 2.439 171 L HA 0.478 4.824 4.340 0.009 0.000 0.259 171 L C -1.869 174.973 176.870 -0.048 0.000 1.129 171 L CA -1.904 52.963 54.840 0.045 0.000 0.803 171 L CB -0.556 41.584 42.059 0.136 0.000 1.161 171 L HN 0.507 nan 8.230 nan 0.000 0.462 172 P HA -0.055 nan 4.420 nan 0.000 0.265 172 P C -0.596 176.631 177.300 -0.121 0.000 1.187 172 P CA -0.291 62.669 63.100 -0.234 0.000 0.766 172 P CB 0.340 31.729 31.700 -0.518 0.000 0.820 173 D N 1.908 122.257 120.400 -0.085 0.000 2.531 173 D HA -0.070 4.576 4.640 0.009 0.000 0.239 173 D C 1.244 177.525 176.300 -0.031 0.000 1.144 173 D CA 0.360 54.334 54.000 -0.043 0.000 0.869 173 D CB 0.608 41.385 40.800 -0.037 0.000 1.160 173 D HN 0.258 nan 8.370 nan 0.000 0.484 174 S N 3.758 119.457 115.700 -0.002 0.000 2.359 174 S HA -0.358 4.117 4.470 0.009 0.000 0.223 174 S C 1.778 176.389 174.600 0.018 0.000 1.039 174 S CA 1.348 59.562 58.200 0.024 0.000 1.042 174 S CB -0.500 62.716 63.200 0.027 0.000 0.915 174 S HN 0.571 nan 8.310 nan 0.000 0.439 175 K N 1.677 122.080 120.400 0.005 0.000 2.113 175 K HA -0.108 4.217 4.320 0.009 0.000 0.208 175 K C 2.099 178.697 176.600 -0.003 0.000 1.047 175 K CA 2.004 58.292 56.287 0.002 0.000 0.928 175 K CB -0.613 31.884 32.500 -0.005 0.000 0.716 175 K HN 0.664 nan 8.250 nan 0.000 0.446 176 E N -0.926 119.264 120.200 -0.016 0.000 2.152 176 E HA -0.083 4.272 4.350 0.009 0.000 0.192 176 E C 1.596 178.185 176.600 -0.019 0.000 0.983 176 E CA 1.016 57.399 56.400 -0.028 0.000 0.818 176 E CB 0.249 29.917 29.700 -0.053 0.000 0.758 176 E HN 0.160 nan 8.360 nan 0.000 0.467 177 V N 1.416 121.328 119.914 -0.002 0.000 2.407 177 V HA -0.190 3.936 4.120 0.009 0.000 0.245 177 V C 2.344 178.463 176.094 0.042 0.000 1.041 177 V CA 0.891 63.214 62.300 0.038 0.000 1.040 177 V CB -0.511 31.377 31.823 0.107 0.000 0.671 177 V HN 0.383 nan 8.190 nan 0.000 0.455 178 L N 0.505 121.752 121.223 0.041 0.000 1.978 178 L HA -0.272 4.074 4.340 0.009 0.000 0.218 178 L C 2.624 179.506 176.870 0.020 0.000 1.075 178 L CA 2.513 57.378 54.840 0.041 0.000 0.767 178 L CB -0.454 41.627 42.059 0.038 0.000 0.890 178 L HN 0.455 nan 8.230 nan 0.000 0.434 179 E N -0.396 119.809 120.200 0.009 0.000 2.028 179 E HA -0.229 4.126 4.350 0.009 0.000 0.191 179 E C 2.164 178.761 176.600 -0.005 0.000 0.988 179 E CA 1.249 57.648 56.400 -0.001 0.000 0.799 179 E CB -0.046 29.651 29.700 -0.007 0.000 0.755 179 E HN 0.472 nan 8.360 nan 0.000 0.447 180 K N 0.310 120.707 120.400 -0.006 0.000 2.063 180 K HA -0.134 4.191 4.320 0.009 0.000 0.208 180 K C 2.033 178.631 176.600 -0.004 0.000 1.048 180 K CA 1.832 58.114 56.287 -0.009 0.000 0.928 180 K CB 0.143 32.634 32.500 -0.015 0.000 0.713 180 K HN 0.157 nan 8.250 nan 0.000 0.442 181 V N -3.263 116.655 119.914 0.007 0.000 3.485 181 V HA 0.141 4.266 4.120 0.009 0.000 0.280 181 V C 1.419 177.508 176.094 -0.009 0.000 1.495 181 V CA -0.079 62.223 62.300 0.003 0.000 1.018 181 V CB -0.134 31.704 31.823 0.024 0.000 0.818 181 V HN 0.067 nan 8.190 nan 0.000 0.436 182 L N 0.025 121.244 121.223 -0.005 0.000 2.262 182 L HA 0.354 4.699 4.340 0.009 0.000 0.197 182 L C 1.080 177.946 176.870 -0.006 0.000 1.073 182 L CA 0.403 55.234 54.840 -0.014 0.000 0.800 182 L CB -0.052 42.005 42.059 -0.004 0.000 0.987 182 L HN 0.184 nan 8.230 nan 0.000 0.470 183 L N 1.298 122.521 121.223 0.001 0.000 2.554 183 L HA -0.080 4.265 4.340 0.009 0.000 0.293 183 L C 0.789 177.654 176.870 -0.009 0.000 1.252 183 L CA 0.338 55.177 54.840 -0.002 0.000 0.862 183 L CB -0.001 42.055 42.059 -0.005 0.000 1.113 183 L HN 0.248 nan 8.230 nan 0.000 0.510 184 R N 2.576 123.073 120.500 -0.006 0.000 2.410 184 R HA 0.290 4.635 4.340 0.009 0.000 0.288 184 R C 0.270 176.568 176.300 -0.003 0.000 1.051 184 R CA -0.587 55.510 56.100 -0.006 0.000 1.021 184 R CB 0.926 31.235 30.300 0.016 0.000 1.032 184 R HN 0.633 nan 8.270 nan 0.000 0.481 185 R N 2.110 122.607 120.500 -0.005 0.000 2.207 185 R HA 0.218 4.563 4.340 0.009 0.000 0.180 185 R C -0.005 176.304 176.300 0.015 0.000 1.445 185 R CA 0.128 56.227 56.100 -0.001 0.000 1.217 185 R CB -0.279 30.015 30.300 -0.010 0.000 1.135 185 R HN 0.571 nan 8.270 nan 0.000 0.481 186 E N 1.616 121.821 120.200 0.008 0.000 2.175 186 E HA 0.170 4.525 4.350 0.009 0.000 0.278 186 E C -1.168 175.457 176.600 0.041 0.000 0.969 186 E CA -0.765 55.653 56.400 0.030 0.000 0.796 186 E CB 1.339 31.042 29.700 0.005 0.000 1.104 186 E HN -0.056 nan 8.360 nan 0.000 0.395 187 F N 5.226 125.152 119.950 -0.040 0.000 2.557 187 F HA 0.132 4.665 4.527 0.010 0.000 0.384 187 F C -0.248 175.523 175.800 -0.048 0.000 1.057 187 F CA 0.014 57.987 58.000 -0.045 0.000 1.169 187 F CB 0.110 39.081 39.000 -0.049 0.000 1.070 187 F HN 0.304 nan 8.300 nan 0.000 0.554 188 I N 9.449 129.570 120.570 -0.747 0.000 2.315 188 I HA 0.275 4.450 4.170 0.009 0.000 0.291 188 I C -1.999 173.458 176.117 -1.099 0.000 1.006 188 I CA -2.051 58.868 61.300 -0.635 0.000 1.265 188 I CB 1.167 38.938 38.000 -0.380 0.000 1.387 188 I HN 0.474 nan 8.210 nan 0.000 0.475 189 P HA 0.103 nan 4.420 nan 0.000 0.278 189 P C -1.046 176.067 177.300 -0.312 0.000 1.258 189 P CA -0.410 62.406 63.100 -0.473 0.000 0.811 189 P CB 1.075 32.762 31.700 -0.022 0.000 1.063 190 D N 1.416 121.686 120.400 -0.215 0.000 2.348 190 D HA 0.087 4.732 4.640 0.009 0.000 0.253 190 D C -1.212 174.967 176.300 -0.202 0.000 1.161 190 D CA -2.132 51.721 54.000 -0.246 0.000 0.876 190 D CB 0.392 41.031 40.800 -0.268 0.000 1.160 190 D HN 0.167 nan 8.370 nan 0.000 0.459 191 P HA -0.111 nan 4.420 nan 0.000 0.234 191 P C 0.605 177.795 177.300 -0.182 0.000 1.167 191 P CA 0.853 63.850 63.100 -0.172 0.000 0.763 191 P CB 0.379 31.980 31.700 -0.166 0.000 0.835 192 Q N -1.207 118.445 119.800 -0.246 0.000 2.384 192 Q HA 0.212 4.558 4.340 0.009 0.000 0.207 192 Q C 1.173 177.053 176.000 -0.200 0.000 0.904 192 Q CA 0.630 56.263 55.803 -0.284 0.000 0.933 192 Q CB 0.138 28.604 28.738 -0.453 0.000 1.077 192 Q HN 0.281 nan 8.270 nan 0.000 0.522 193 G N 0.924 109.643 108.800 -0.135 0.000 2.159 193 G HA2 -0.225 3.741 3.960 0.009 0.000 0.227 193 G HA3 -0.225 3.741 3.960 0.009 0.000 0.227 193 G C 0.010 174.903 174.900 -0.013 0.000 0.986 193 G CA 0.086 45.162 45.100 -0.041 0.000 0.651 193 G HN 0.231 nan 8.290 nan 0.000 0.523 194 S N 1.794 117.427 115.700 -0.111 0.000 2.629 194 S HA 0.304 4.779 4.470 0.009 0.000 0.302 194 S C 1.060 175.605 174.600 -0.092 0.000 1.244 194 S CA 0.612 58.664 58.200 -0.246 0.000 1.098 194 S CB 0.303 63.174 63.200 -0.548 0.000 0.858 194 S HN 0.902 nan 8.310 nan 0.000 0.502 195 N N 3.224 121.926 118.700 0.004 0.000 2.547 195 N HA 0.307 5.053 4.740 0.009 0.000 0.301 195 N C 0.796 176.366 175.510 0.099 0.000 1.328 195 N CA -0.632 52.461 53.050 0.071 0.000 0.932 195 N CB -0.055 38.500 38.487 0.114 0.000 1.104 195 N HN 0.269 nan 8.380 nan 0.000 0.548 196 M N -0.862 118.784 119.600 0.076 0.000 2.476 196 M HA 0.171 4.656 4.480 0.009 0.000 0.262 196 M C 1.497 177.906 176.300 0.181 0.000 1.111 196 M CA 0.695 55.945 55.300 -0.082 0.000 1.127 196 M CB -0.950 31.323 32.600 -0.545 0.000 1.376 196 M HN 0.442 nan 8.290 nan 0.000 0.465 197 M N -0.541 119.293 119.600 0.391 0.000 2.108 197 M HA -0.182 4.304 4.480 0.009 0.000 0.261 197 M C 2.237 178.995 176.300 0.764 0.000 1.066 197 M CA 1.604 57.272 55.300 0.612 0.000 1.107 197 M CB -1.389 31.515 32.600 0.508 0.000 1.356 197 M HN 0.220 nan 8.290 nan 0.000 0.406 198 F N 1.112 121.306 119.950 0.405 0.000 2.060 198 F HA -0.036 4.496 4.527 0.009 0.000 0.295 198 F C 2.393 178.285 175.800 0.153 0.000 1.120 198 F CA 1.702 59.757 58.000 0.092 0.000 1.205 198 F CB -0.795 38.124 39.000 -0.135 0.000 0.986 198 F HN 0.115 nan 8.300 nan 0.000 0.470 199 A N 0.253 123.372 122.820 0.499 0.000 1.903 199 A HA -0.256 4.069 4.320 0.009 0.000 0.219 199 A C 2.098 179.727 177.584 0.075 0.000 1.191 199 A CA 2.253 54.430 52.037 0.233 0.000 0.638 199 A CB -1.632 17.348 19.000 -0.033 0.000 0.823 199 A HN 0.480 nan 8.150 nan 0.000 0.451 200 F N -2.171 117.923 119.950 0.240 0.000 2.367 200 F HA 0.081 4.614 4.527 0.010 0.000 0.298 200 F C 1.865 177.793 175.800 0.213 0.000 1.094 200 F CA 0.268 58.409 58.000 0.236 0.000 1.409 200 F CB -0.729 38.443 39.000 0.287 0.000 1.064 200 F HN 0.334 nan 8.300 nan 0.000 0.528 201 F N 0.826 120.902 119.950 0.210 0.000 2.146 201 F HA -0.094 4.438 4.527 0.009 0.000 0.298 201 F C 2.340 178.069 175.800 -0.119 0.000 1.096 201 F CA 1.373 59.186 58.000 -0.311 0.000 1.275 201 F CB -0.584 38.238 39.000 -0.296 0.000 1.008 201 F HN -0.093 nan 8.300 nan 0.000 0.480 202 A N -0.447 122.502 122.820 0.215 0.000 2.015 202 A HA -0.215 4.110 4.320 0.009 0.000 0.219 202 A C 2.206 179.807 177.584 0.028 0.000 1.163 202 A CA 1.610 53.787 52.037 0.234 0.000 0.646 202 A CB -0.854 18.258 19.000 0.188 0.000 0.806 202 A HN 0.610 nan 8.150 nan 0.000 0.448 203 Q N -1.384 118.423 119.800 0.011 0.000 2.083 203 Q HA -0.210 4.135 4.340 0.009 0.000 0.198 203 Q C 1.976 177.779 176.000 -0.328 0.000 0.969 203 Q CA 1.680 57.375 55.803 -0.180 0.000 0.838 203 Q CB -0.219 28.485 28.738 -0.057 0.000 0.900 203 Q HN 0.857 nan 8.270 nan 0.000 0.436 204 H N -0.227 118.650 119.070 -0.321 0.000 2.253 204 H HA -0.181 4.380 4.556 0.009 0.000 0.299 204 H C 1.679 176.924 175.328 -0.139 0.000 1.064 204 H CA 2.263 58.110 56.048 -0.334 0.000 1.264 204 H CB -0.732 28.788 29.762 -0.403 0.000 1.371 204 H HN 0.322 nan 8.280 nan 0.000 0.493 205 F N 1.357 121.059 119.950 -0.414 0.000 2.045 205 F HA -0.320 4.212 4.527 0.009 0.000 0.297 205 F C 2.692 177.981 175.800 -0.850 0.000 1.114 205 F CA 2.935 60.588 58.000 -0.578 0.000 1.207 205 F CB -1.291 37.393 39.000 -0.527 0.000 0.964 205 F HN 0.410 nan 8.300 nan 0.000 0.486 206 T N -2.864 110.977 114.554 -1.188 0.000 2.962 206 T HA -0.193 4.162 4.350 0.009 0.000 0.270 206 T C 1.533 175.406 174.700 -1.379 0.000 1.088 206 T CA 1.540 62.532 62.100 -1.846 0.000 1.127 206 T CB -0.971 67.192 68.868 -1.176 0.000 0.883 206 T HN 0.444 nan 8.240 nan 0.000 0.493 207 H N 1.777 120.356 119.070 -0.818 0.000 2.567 207 H HA 0.092 4.653 4.556 0.009 0.000 0.276 207 H C 2.378 177.390 175.328 -0.528 0.000 1.016 207 H CA 1.033 56.823 56.048 -0.430 0.000 1.186 207 H CB -0.229 29.561 29.762 0.046 0.000 1.351 207 H HN 0.786 nan 8.280 nan 0.000 0.605 208 Q N -0.393 118.891 119.800 -0.859 0.000 2.297 208 Q HA -0.039 4.307 4.340 0.009 0.000 0.203 208 Q C 0.963 176.614 176.000 -0.581 0.000 0.931 208 Q CA 0.779 56.127 55.803 -0.757 0.000 0.885 208 Q CB -0.143 27.945 28.738 -1.082 0.000 0.991 208 Q HN 0.490 nan 8.270 nan 0.000 0.498 209 F N -0.987 118.533 119.950 -0.716 0.000 2.582 209 F HA 0.406 4.938 4.527 0.009 0.000 0.290 209 F C 0.139 175.507 175.800 -0.719 0.000 1.115 209 F CA -0.886 56.660 58.000 -0.757 0.000 1.445 209 F CB -0.045 38.430 39.000 -0.876 0.000 1.126 209 F HN -0.207 nan 8.300 nan 0.000 0.574 210 F N 2.423 122.138 119.950 -0.391 0.000 2.371 210 F HA 0.518 5.050 4.527 0.009 0.000 0.363 210 F C 0.275 175.864 175.800 -0.352 0.000 1.122 210 F CA -1.222 56.596 58.000 -0.303 0.000 1.129 210 F CB 1.091 39.781 39.000 -0.517 0.000 1.173 210 F HN -0.108 nan 8.300 nan 0.000 0.489 211 K N 1.376 121.765 120.400 -0.018 0.000 3.365 211 K HA 0.127 4.452 4.320 0.009 0.000 0.187 211 K C -0.312 176.225 176.600 -0.106 0.000 1.062 211 K CA -0.274 55.936 56.287 -0.129 0.000 0.882 211 K CB 0.861 33.245 32.500 -0.192 0.000 0.750 211 K HN 0.476 nan 8.250 nan 0.000 0.479 212 T N 2.008 116.546 114.554 -0.027 0.000 2.657 212 T HA -0.175 4.181 4.350 0.009 0.000 0.245 212 T C 0.119 174.590 174.700 -0.383 0.000 1.021 212 T CA 0.910 62.925 62.100 -0.142 0.000 1.155 212 T CB -0.023 68.678 68.868 -0.278 0.000 1.022 212 T HN 0.222 nan 8.240 nan 0.000 0.477 213 D N 2.068 122.331 120.400 -0.229 0.000 2.494 213 D HA 0.109 4.755 4.640 0.009 0.000 0.217 213 D C 0.944 177.169 176.300 -0.126 0.000 1.153 213 D CA -0.387 53.510 54.000 -0.171 0.000 0.954 213 D CB 0.048 40.776 40.800 -0.120 0.000 1.034 213 D HN 0.635 nan 8.370 nan 0.000 0.518 214 H N 1.166 120.253 119.070 0.029 0.000 2.560 214 H HA -0.058 4.503 4.556 0.009 0.000 0.283 214 H C 1.299 176.635 175.328 0.013 0.000 1.028 214 H CA 0.755 56.823 56.048 0.034 0.000 1.221 214 H CB 0.584 30.361 29.762 0.025 0.000 1.363 214 H HN 0.140 nan 8.280 nan 0.000 0.594 215 K N 0.164 120.601 120.400 0.061 0.000 2.103 215 K HA -0.020 4.305 4.320 0.009 0.000 0.204 215 K C 1.976 178.556 176.600 -0.033 0.000 1.052 215 K CA 0.905 57.195 56.287 0.005 0.000 0.945 215 K CB 0.227 32.703 32.500 -0.041 0.000 0.722 215 K HN 0.096 nan 8.250 nan 0.000 0.443 216 R N -1.153 119.302 120.500 -0.075 0.000 2.175 216 R HA 0.284 4.629 4.340 0.009 0.000 0.202 216 R C 0.077 176.451 176.300 0.125 0.000 1.018 216 R CA 0.714 56.715 56.100 -0.165 0.000 1.029 216 R CB 0.947 30.844 30.300 -0.671 0.000 0.959 216 R HN 0.291 nan 8.270 nan 0.000 0.480 217 G N -0.024 108.905 108.800 0.216 0.000 2.362 217 G HA2 -0.065 3.900 3.960 0.009 0.000 0.656 217 G HA3 -0.065 3.900 3.960 0.009 0.000 0.656 217 G C -2.921 172.126 174.900 0.245 0.000 1.376 217 G CA -1.079 44.177 45.100 0.260 0.000 0.971 217 G HN -0.092 nan 8.290 nan 0.000 0.636 218 P HA 0.388 nan 4.420 nan 0.000 0.269 218 P C 1.108 178.439 177.300 0.051 0.000 1.209 218 P CA 1.787 64.957 63.100 0.117 0.000 0.776 218 P CB 1.089 32.838 31.700 0.081 0.000 0.876 219 G N 0.980 109.850 108.800 0.117 0.000 2.218 219 G HA2 -0.194 3.772 3.960 0.009 0.000 0.216 219 G HA3 -0.194 3.772 3.960 0.009 0.000 0.216 219 G C -0.388 174.402 174.900 -0.183 0.000 0.994 219 G CA -0.492 44.610 45.100 0.004 0.000 0.637 219 G HN 0.417 nan 8.290 nan 0.000 0.505 220 F N 1.483 121.445 119.950 0.020 0.000 2.458 220 F HA 0.745 5.277 4.527 0.009 0.000 0.336 220 F C 0.583 176.162 175.800 -0.368 0.000 1.114 220 F CA -0.303 57.554 58.000 -0.238 0.000 0.987 220 F CB 2.234 41.075 39.000 -0.264 0.000 1.130 220 F HN 0.032 nan 8.300 nan 0.000 0.458 221 T N 2.125 116.397 114.554 -0.471 0.000 2.952 221 T HA 0.455 4.810 4.350 0.009 0.000 0.286 221 T C 0.813 175.319 174.700 -0.323 0.000 1.024 221 T CA -0.486 61.211 62.100 -0.671 0.000 1.029 221 T CB 1.105 69.225 68.868 -1.246 0.000 1.094 221 T HN 0.753 nan 8.240 nan 0.000 0.515 222 R N 0.925 121.261 120.500 -0.272 0.000 2.437 222 R HA 0.264 4.610 4.340 0.009 0.000 0.257 222 R C 0.921 177.104 176.300 -0.195 0.000 0.927 222 R CA -0.159 55.825 56.100 -0.193 0.000 1.078 222 R CB 0.766 30.969 30.300 -0.161 0.000 1.161 222 R HN 0.629 nan 8.270 nan 0.000 0.529 223 G N 0.891 109.533 108.800 -0.264 0.000 3.628 223 G HA2 0.220 4.185 3.960 0.009 0.000 0.328 223 G HA3 0.220 4.185 3.960 0.009 0.000 0.328 223 G C 0.603 175.369 174.900 -0.224 0.000 1.200 223 G CA -0.407 44.542 45.100 -0.252 0.000 1.364 223 G HN 0.114 nan 8.290 nan 0.000 0.503 224 L N 1.246 122.423 121.223 -0.077 0.000 2.549 224 L HA 0.023 4.368 4.340 0.009 0.000 0.230 224 L C 2.603 179.556 176.870 0.139 0.000 1.162 224 L CA 0.982 55.871 54.840 0.080 0.000 0.834 224 L CB 0.188 42.249 42.059 0.003 0.000 0.947 224 L HN 0.498 nan 8.230 nan 0.000 0.452 225 G N -2.554 106.266 108.800 0.032 0.000 2.623 225 G HA2 -0.110 3.855 3.960 0.009 0.000 0.214 225 G HA3 -0.110 3.855 3.960 0.009 0.000 0.214 225 G C 0.607 175.543 174.900 0.060 0.000 1.138 225 G CA -0.182 44.929 45.100 0.018 0.000 0.794 225 G HN 0.595 nan 8.290 nan 0.000 0.535 226 H N -0.445 118.543 119.070 -0.137 0.000 2.690 226 H HA -0.182 4.379 4.556 0.009 0.000 0.309 226 H C 1.121 176.323 175.328 -0.210 0.000 1.138 226 H CA 0.784 56.737 56.048 -0.159 0.000 1.142 226 H CB -1.290 28.385 29.762 -0.146 0.000 1.410 226 H HN 0.730 nan 8.280 nan 0.000 0.409 227 G N -1.517 107.184 108.800 -0.165 0.000 2.348 227 G HA2 0.260 4.226 3.960 0.009 0.000 0.296 227 G HA3 0.260 4.226 3.960 0.009 0.000 0.296 227 G C -0.688 174.129 174.900 -0.137 0.000 1.258 227 G CA -0.293 44.651 45.100 -0.260 0.000 0.868 227 G HN 0.123 nan 8.290 nan 0.000 0.488 228 V N 2.307 122.151 119.914 -0.117 0.000 2.157 228 V HA 0.207 4.332 4.120 0.009 0.000 0.241 228 V C 0.632 176.718 176.094 -0.013 0.000 1.349 228 V CA 0.984 63.276 62.300 -0.014 0.000 1.319 228 V CB -0.142 31.716 31.823 0.059 0.000 1.421 228 V HN 0.747 nan 8.190 nan 0.000 0.501 229 D N 2.452 122.830 120.400 -0.037 0.000 2.369 229 D HA 0.038 4.683 4.640 0.009 0.000 0.211 229 D C 0.937 177.265 176.300 0.046 0.000 1.077 229 D CA -0.323 53.676 54.000 -0.002 0.000 0.842 229 D CB 0.078 40.867 40.800 -0.018 0.000 0.947 229 D HN 0.330 nan 8.370 nan 0.000 0.509 230 L N 0.759 121.987 121.223 0.009 0.000 3.717 230 L HA -0.313 4.033 4.340 0.009 0.000 0.411 230 L C 0.923 177.917 176.870 0.207 0.000 1.233 230 L CA 0.661 55.584 54.840 0.138 0.000 0.917 230 L CB -2.501 39.681 42.059 0.205 0.000 1.902 230 L HN 0.300 nan 8.230 nan 0.000 0.894 231 N N 0.921 119.647 118.700 0.043 0.000 2.381 231 N HA -0.190 4.555 4.740 0.009 0.000 0.182 231 N C 1.576 177.078 175.510 -0.013 0.000 1.025 231 N CA 1.739 54.799 53.050 0.017 0.000 0.888 231 N CB -0.314 38.130 38.487 -0.072 0.000 0.965 231 N HN 0.795 nan 8.380 nan 0.000 0.438 232 H N -2.408 116.497 119.070 -0.276 0.000 2.547 232 H HA 0.285 4.847 4.556 0.009 0.000 0.266 232 H C 1.222 176.354 175.328 -0.327 0.000 0.988 232 H CA 0.160 55.967 56.048 -0.402 0.000 1.147 232 H CB 0.081 29.546 29.762 -0.496 0.000 1.365 232 H HN 0.293 nan 8.280 nan 0.000 0.589 233 I N -0.752 119.640 120.570 -0.298 0.000 3.812 233 I HA -0.031 4.144 4.170 0.009 0.000 0.292 233 I C 0.869 176.675 176.117 -0.519 0.000 1.206 233 I CA -0.133 60.853 61.300 -0.523 0.000 1.370 233 I CB 0.319 37.836 38.000 -0.806 0.000 1.328 233 I HN 0.125 nan 8.210 nan 0.000 0.453 234 Y N 1.444 121.719 120.300 -0.043 0.000 2.478 234 Y HA 0.478 5.033 4.550 0.009 0.000 0.261 234 Y C 1.128 177.018 175.900 -0.017 0.000 1.127 234 Y CA 0.204 58.309 58.100 0.009 0.000 1.288 234 Y CB 0.169 38.686 38.460 0.095 0.000 1.084 234 Y HN 0.130 nan 8.280 nan 0.000 0.530 235 G N 0.314 109.142 108.800 0.047 0.000 2.617 235 G HA2 -0.141 3.824 3.960 0.009 0.000 0.686 235 G HA3 -0.141 3.824 3.960 0.009 0.000 0.686 235 G C -0.210 174.681 174.900 -0.013 0.000 1.214 235 G CA -0.623 44.473 45.100 -0.007 0.000 0.796 235 G HN 0.062 nan 8.290 nan 0.000 0.654 236 E N -0.496 119.671 120.200 -0.055 0.000 2.107 236 E HA 0.161 4.516 4.350 0.009 0.000 0.191 236 E C 1.880 178.451 176.600 -0.048 0.000 0.982 236 E CA 1.958 58.319 56.400 -0.064 0.000 0.809 236 E CB 0.043 29.690 29.700 -0.088 0.000 0.756 236 E HN 1.052 nan 8.360 nan 0.000 0.459 237 T N -2.821 111.705 114.554 -0.046 0.000 2.916 237 T HA 0.324 4.680 4.350 0.009 0.000 0.292 237 T C 0.933 175.588 174.700 -0.074 0.000 1.064 237 T CA -0.863 61.206 62.100 -0.051 0.000 1.011 237 T CB 1.151 69.992 68.868 -0.045 0.000 1.152 237 T HN -0.069 nan 8.240 nan 0.000 0.510 238 L N 0.626 121.789 121.223 -0.101 0.000 2.013 238 L HA -0.135 4.210 4.340 0.009 0.000 0.212 238 L C 2.334 179.076 176.870 -0.213 0.000 1.073 238 L CA 2.882 57.592 54.840 -0.216 0.000 0.753 238 L CB -0.689 41.273 42.059 -0.161 0.000 0.890 238 L HN 1.036 nan 8.230 nan 0.000 0.432 239 D N -0.563 119.801 120.400 -0.062 0.000 2.133 239 D HA -0.295 4.351 4.640 0.009 0.000 0.195 239 D C 2.258 178.569 176.300 0.019 0.000 0.997 239 D CA 1.711 55.723 54.000 0.019 0.000 0.840 239 D CB -0.003 40.809 40.800 0.020 0.000 0.947 239 D HN 0.184 nan 8.370 nan 0.000 0.452 240 R N -0.190 120.298 120.500 -0.019 0.000 2.061 240 R HA -0.217 4.128 4.340 0.009 0.000 0.230 240 R C 2.620 178.913 176.300 -0.012 0.000 1.140 240 R CA 1.959 58.053 56.100 -0.011 0.000 0.940 240 R CB -0.420 29.864 30.300 -0.026 0.000 0.839 240 R HN 0.401 nan 8.270 nan 0.000 0.429 241 Q N -0.818 118.950 119.800 -0.053 0.000 2.152 241 Q HA -0.233 4.113 4.340 0.009 0.000 0.206 241 Q C 1.530 177.489 176.000 -0.068 0.000 0.985 241 Q CA 1.935 57.704 55.803 -0.056 0.000 0.863 241 Q CB -0.421 28.273 28.738 -0.073 0.000 0.904 241 Q HN 0.491 nan 8.270 nan 0.000 0.422 242 H N 0.451 119.507 119.070 -0.023 0.000 2.491 242 H HA 0.069 4.631 4.556 0.009 0.000 0.290 242 H C 1.392 176.770 175.328 0.082 0.000 1.050 242 H CA 1.323 57.408 56.048 0.061 0.000 1.309 242 H CB 0.194 30.067 29.762 0.186 0.000 1.392 242 H HN 0.407 nan 8.280 nan 0.000 0.554 243 K N -0.016 120.474 120.400 0.150 0.000 2.228 243 K HA 0.066 4.391 4.320 0.009 0.000 0.202 243 K C 1.834 178.460 176.600 0.044 0.000 1.051 243 K CA 0.277 56.622 56.287 0.097 0.000 0.960 243 K CB 0.281 32.820 32.500 0.065 0.000 0.743 243 K HN 0.160 nan 8.250 nan 0.000 0.458 244 L N 0.502 121.730 121.223 0.009 0.000 2.509 244 L HA 0.044 4.389 4.340 0.009 0.000 0.222 244 L C 0.759 177.592 176.870 -0.061 0.000 1.123 244 L CA 0.104 54.936 54.840 -0.013 0.000 0.856 244 L CB 0.058 42.114 42.059 -0.006 0.000 0.985 244 L HN 0.057 nan 8.230 nan 0.000 0.456 245 R N -0.177 120.220 120.500 -0.172 0.000 2.560 245 R HA 0.127 4.472 4.340 0.009 0.000 0.270 245 R C 0.714 176.835 176.300 -0.298 0.000 1.074 245 R CA -0.380 55.489 56.100 -0.385 0.000 1.140 245 R CB 1.340 31.050 30.300 -0.982 0.000 1.073 245 R HN -0.070 nan 8.270 nan 0.000 0.527 246 L N 1.225 122.301 121.223 -0.244 0.000 2.357 246 L HA 0.181 4.526 4.340 0.009 0.000 0.211 246 L C -0.033 176.858 176.870 0.034 0.000 1.075 246 L CA 1.007 55.812 54.840 -0.058 0.000 0.830 246 L CB 0.022 42.100 42.059 0.031 0.000 0.996 246 L HN 0.705 nan 8.230 nan 0.000 0.467 247 F N -0.025 119.942 119.950 0.028 0.000 3.058 247 F HA -0.238 4.294 4.527 0.009 0.000 0.295 247 F C 0.384 176.208 175.800 0.040 0.000 0.875 247 F CA 0.814 58.819 58.000 0.008 0.000 1.150 247 F CB -1.815 37.160 39.000 -0.041 0.000 1.175 247 F HN 0.145 nan 8.300 nan 0.000 0.599 248 K N 0.570 121.072 120.400 0.170 0.000 2.652 248 K HA 0.326 4.652 4.320 0.009 0.000 0.249 248 K C -0.045 176.653 176.600 0.163 0.000 0.986 248 K CA -0.544 55.837 56.287 0.156 0.000 0.867 248 K CB 1.003 33.580 32.500 0.128 0.000 1.201 248 K HN 0.178 nan 8.250 nan 0.000 0.450 249 D N 2.519 123.021 120.400 0.170 0.000 2.945 249 D HA -0.202 4.443 4.640 0.009 0.000 0.225 249 D C 0.617 177.046 176.300 0.215 0.000 1.158 249 D CA 1.420 55.529 54.000 0.183 0.000 0.805 249 D CB -1.040 39.855 40.800 0.158 0.000 1.098 249 D HN 1.087 nan 8.370 nan 0.000 0.426 250 G N 0.030 108.974 108.800 0.240 0.000 2.175 250 G HA2 -0.388 3.578 3.960 0.009 0.000 0.265 250 G HA3 -0.388 3.578 3.960 0.009 0.000 0.265 250 G C 0.333 175.521 174.900 0.480 0.000 0.979 250 G CA 1.061 46.368 45.100 0.346 0.000 0.663 250 G HN 0.494 nan 8.290 nan 0.000 0.533 251 K N -0.253 120.352 120.400 0.343 0.000 2.202 251 K HA 0.530 4.855 4.320 0.009 0.000 0.264 251 K C 0.420 177.222 176.600 0.338 0.000 1.010 251 K CA -0.851 55.678 56.287 0.403 0.000 0.940 251 K CB 0.922 33.609 32.500 0.312 0.000 0.983 251 K HN 0.008 nan 8.250 nan 0.000 0.475 252 L N 2.376 123.821 121.223 0.371 0.000 2.399 252 L HA 0.227 4.572 4.340 0.009 0.000 0.266 252 L C 0.492 177.480 176.870 0.197 0.000 1.114 252 L CA -0.090 54.856 54.840 0.177 0.000 0.804 252 L CB 0.792 42.905 42.059 0.090 0.000 1.146 252 L HN 0.516 nan 8.230 nan 0.000 0.451 253 K N 1.765 122.214 120.400 0.081 0.000 2.319 253 K HA 0.302 4.627 4.320 0.009 0.000 0.265 253 K C -1.073 175.604 176.600 0.129 0.000 1.000 253 K CA 0.330 56.636 56.287 0.033 0.000 0.943 253 K CB 0.614 33.099 32.500 -0.023 0.000 0.950 253 K HN 0.532 nan 8.250 nan 0.000 0.485 254 Y N -2.148 118.151 120.300 -0.001 0.000 2.788 254 Y HA 0.296 4.852 4.550 0.009 0.000 0.335 254 Y C -1.553 174.339 175.900 -0.013 0.000 1.287 254 Y CA -1.354 56.733 58.100 -0.022 0.000 1.068 254 Y CB 0.959 39.404 38.460 -0.024 0.000 1.340 254 Y HN 0.608 nan 8.280 nan 0.000 0.449 255 Q N 0.411 120.327 119.800 0.193 0.000 2.501 255 Q HA 0.817 5.162 4.340 0.009 0.000 0.288 255 Q C -2.244 173.902 176.000 0.243 0.000 1.051 255 Q CA -1.320 54.546 55.803 0.105 0.000 0.788 255 Q CB 3.047 31.804 28.738 0.032 0.000 1.469 255 Q HN 0.624 nan 8.270 nan 0.000 0.416 256 V N 2.527 122.547 119.914 0.177 0.000 2.378 256 V HA 0.471 4.596 4.120 0.009 0.000 0.288 256 V C -0.569 175.612 176.094 0.145 0.000 1.016 256 V CA -0.466 61.947 62.300 0.187 0.000 0.840 256 V CB 1.149 33.068 31.823 0.159 0.000 0.994 256 V HN 0.647 nan 8.190 nan 0.000 0.431 257 I N 4.376 125.070 120.570 0.207 0.000 2.404 257 I HA 0.735 4.910 4.170 0.009 0.000 0.293 257 I C 1.021 177.220 176.117 0.136 0.000 0.992 257 I CA -0.096 61.259 61.300 0.092 0.000 1.149 257 I CB 1.542 39.480 38.000 -0.103 0.000 1.315 257 I HN 0.821 nan 8.210 nan 0.000 0.446 258 G N 4.480 113.323 108.800 0.071 0.000 2.552 258 G HA2 -0.236 3.730 3.960 0.009 0.000 0.265 258 G HA3 -0.236 3.730 3.960 0.009 0.000 0.265 258 G C 0.581 175.525 174.900 0.074 0.000 1.234 258 G CA 0.011 45.152 45.100 0.069 0.000 0.944 258 G HN 1.051 nan 8.290 nan 0.000 0.568 259 G N 0.064 108.902 108.800 0.062 0.000 3.702 259 G HA2 0.505 4.470 3.960 0.009 0.000 0.288 259 G HA3 0.505 4.470 3.960 0.009 0.000 0.288 259 G C 0.158 175.082 174.900 0.039 0.000 1.193 259 G CA 0.483 45.611 45.100 0.046 0.000 0.952 259 G HN 0.551 nan 8.290 nan 0.000 0.544 260 E N 0.208 120.458 120.200 0.083 0.000 2.202 260 E HA 0.372 4.728 4.350 0.009 0.000 0.272 260 E C -0.538 176.063 176.600 0.002 0.000 0.951 260 E CA -0.661 55.751 56.400 0.019 0.000 0.813 260 E CB 2.712 32.472 29.700 0.101 0.000 1.151 260 E HN -0.099 nan 8.360 nan 0.000 0.398 261 V N 3.136 122.919 119.914 -0.219 0.000 2.546 261 V HA 0.255 4.380 4.120 0.009 0.000 0.284 261 V C -0.730 175.074 176.094 -0.484 0.000 1.050 261 V CA -0.046 62.129 62.300 -0.209 0.000 0.981 261 V CB -0.052 31.576 31.823 -0.325 0.000 0.990 261 V HN 0.533 nan 8.190 nan 0.000 0.474 262 Y N 3.526 123.767 120.300 -0.098 0.000 2.597 262 Y HA 0.455 5.010 4.550 0.009 0.000 0.340 262 Y C -2.490 173.247 175.900 -0.273 0.000 1.097 262 Y CA -2.420 55.519 58.100 -0.270 0.000 1.037 262 Y CB 2.386 40.598 38.460 -0.413 0.000 1.305 262 Y HN 0.422 nan 8.280 nan 0.000 0.463 263 P HA 0.042 nan 4.420 nan 0.000 0.267 263 P C -2.527 174.668 177.300 -0.174 0.000 1.200 263 P CA -0.703 62.293 63.100 -0.173 0.000 0.772 263 P CB 0.130 31.731 31.700 -0.165 0.000 0.855 264 P HA 0.034 nan 4.420 nan 0.000 0.274 264 P C -0.303 177.035 177.300 0.062 0.000 1.246 264 P CA 0.025 63.125 63.100 -0.000 0.000 0.795 264 P CB 0.285 31.987 31.700 0.003 0.000 1.006 265 T N -2.612 111.991 114.554 0.082 0.000 2.847 265 T HA 0.179 4.534 4.350 0.009 0.000 0.279 265 T C 1.454 176.208 174.700 0.091 0.000 0.984 265 T CA -0.653 61.524 62.100 0.128 0.000 0.988 265 T CB 0.060 68.981 68.868 0.089 0.000 1.040 265 T HN 0.088 nan 8.240 nan 0.000 0.528 266 V N 1.113 121.082 119.914 0.092 0.000 2.453 266 V HA -0.057 4.069 4.120 0.009 0.000 0.247 266 V C 2.818 178.936 176.094 0.039 0.000 1.048 266 V CA 1.846 64.190 62.300 0.074 0.000 1.049 266 V CB -0.856 31.017 31.823 0.083 0.000 0.672 266 V HN 1.000 nan 8.190 nan 0.000 0.457 267 K N -0.252 120.162 120.400 0.022 0.000 2.209 267 K HA -0.234 4.092 4.320 0.009 0.000 0.204 267 K C 1.898 178.506 176.600 0.012 0.000 1.048 267 K CA 1.743 58.035 56.287 0.009 0.000 0.940 267 K CB -0.136 32.362 32.500 -0.004 0.000 0.729 267 K HN 0.557 nan 8.250 nan 0.000 0.451 268 D N -0.443 119.968 120.400 0.018 0.000 2.232 268 D HA -0.102 4.544 4.640 0.009 0.000 0.220 268 D C 1.751 178.061 176.300 0.017 0.000 0.982 268 D CA 1.923 55.931 54.000 0.012 0.000 0.892 268 D CB -0.022 40.782 40.800 0.006 0.000 1.040 268 D HN 0.324 nan 8.370 nan 0.000 0.463 269 T N -1.737 112.832 114.554 0.025 0.000 2.867 269 T HA -0.165 4.191 4.350 0.009 0.000 0.268 269 T C 1.498 176.218 174.700 0.032 0.000 1.057 269 T CA 1.748 63.865 62.100 0.030 0.000 1.136 269 T CB -0.134 68.754 68.868 0.034 0.000 0.874 269 T HN 0.338 nan 8.240 nan 0.000 0.466 270 Q N -0.348 119.470 119.800 0.031 0.000 2.429 270 Q HA -0.160 4.185 4.340 0.009 0.000 0.232 270 Q C 0.038 176.055 176.000 0.029 0.000 0.724 270 Q CA 0.509 56.329 55.803 0.027 0.000 1.287 270 Q CB -2.276 26.475 28.738 0.022 0.000 1.429 270 Q HN 0.903 nan 8.270 nan 0.000 0.721 271 V N -0.282 119.653 119.914 0.035 0.000 2.637 271 V HA 0.392 4.517 4.120 0.009 0.000 0.296 271 V C 0.338 176.452 176.094 0.033 0.000 1.046 271 V CA -0.123 62.194 62.300 0.029 0.000 1.066 271 V CB 1.745 33.584 31.823 0.026 0.000 0.968 271 V HN 0.240 nan 8.190 nan 0.000 0.483 272 E N 6.004 126.214 120.200 0.016 0.000 2.257 272 E HA 0.271 4.626 4.350 0.009 0.000 0.278 272 E C -0.908 175.697 176.600 0.008 0.000 1.049 272 E CA -0.300 56.109 56.400 0.015 0.000 0.876 272 E CB 0.954 30.654 29.700 -0.001 0.000 1.035 272 E HN 0.762 nan 8.360 nan 0.000 0.419 273 M N 4.239 123.860 119.600 0.036 0.000 2.662 273 M HA 0.444 4.929 4.480 0.009 0.000 0.310 273 M C -0.038 176.238 176.300 -0.040 0.000 1.204 273 M CA -1.003 54.295 55.300 -0.003 0.000 0.891 273 M CB 1.620 34.276 32.600 0.094 0.000 1.732 273 M HN 0.408 nan 8.290 nan 0.000 0.467 274 I N 2.171 122.637 120.570 -0.173 0.000 2.297 274 I HA 0.285 4.460 4.170 0.009 0.000 0.291 274 I C -1.421 174.510 176.117 -0.310 0.000 1.033 274 I CA -0.265 60.937 61.300 -0.162 0.000 1.253 274 I CB 0.209 38.133 38.000 -0.127 0.000 1.396 274 I HN 0.463 nan 8.210 nan 0.000 0.476 275 Y N 6.031 126.261 120.300 -0.116 0.000 2.470 275 Y HA 0.398 4.953 4.550 0.009 0.000 0.341 275 Y C -2.332 173.394 175.900 -0.289 0.000 1.021 275 Y CA -2.522 55.460 58.100 -0.197 0.000 1.025 275 Y CB 1.860 40.219 38.460 -0.169 0.000 1.266 275 Y HN 0.411 nan 8.280 nan 0.000 0.448 276 P HA 0.093 nan 4.420 nan 0.000 0.267 276 P C -1.873 175.202 177.300 -0.376 0.000 1.209 276 P CA -0.990 61.848 63.100 -0.437 0.000 0.763 276 P CB 0.598 31.789 31.700 -0.849 0.000 0.816 277 P HA -0.288 nan 4.420 nan 0.000 0.219 277 P C 1.262 178.504 177.300 -0.095 0.000 1.153 277 P CA 1.826 64.866 63.100 -0.100 0.000 0.865 277 P CB -0.469 31.216 31.700 -0.024 0.000 0.788 278 H N -0.780 118.263 119.070 -0.045 0.000 2.521 278 H HA 0.048 4.609 4.556 0.009 0.000 0.286 278 H C 0.971 176.272 175.328 -0.044 0.000 1.034 278 H CA -0.031 55.999 56.048 -0.029 0.000 1.278 278 H CB -1.036 28.726 29.762 -0.001 0.000 1.386 278 H HN 0.144 nan 8.280 nan 0.000 0.567 279 I N 5.069 125.418 120.570 -0.368 0.000 2.664 279 I HA -0.035 4.140 4.170 0.009 0.000 0.284 279 I C -1.097 174.902 176.117 -0.196 0.000 1.154 279 I CA -1.094 60.038 61.300 -0.280 0.000 1.402 279 I CB 0.720 38.480 38.000 -0.400 0.000 1.395 279 I HN 0.096 nan 8.210 nan 0.000 0.545 280 P HA -0.110 nan 4.420 nan 0.000 0.278 280 P C 0.408 177.630 177.300 -0.130 0.000 1.366 280 P CA 0.596 63.632 63.100 -0.105 0.000 0.750 280 P CB 0.142 31.795 31.700 -0.079 0.000 1.271 281 E N 0.762 120.850 120.200 -0.187 0.000 4.014 281 E HA -0.323 4.032 4.350 0.009 0.000 0.209 281 E C 0.890 177.386 176.600 -0.173 0.000 1.457 281 E CA 1.155 57.452 56.400 -0.171 0.000 2.314 281 E CB -1.401 28.241 29.700 -0.096 0.000 2.109 281 E HN 0.373 nan 8.360 nan 0.000 0.486 282 N N -0.504 118.137 118.700 -0.099 0.000 2.707 282 N HA -0.297 4.448 4.740 0.009 0.000 0.245 282 N C 0.487 175.957 175.510 -0.067 0.000 1.103 282 N CA 2.517 55.536 53.050 -0.052 0.000 0.882 282 N CB -1.074 37.383 38.487 -0.051 0.000 1.160 282 N HN 0.379 nan 8.380 nan 0.000 0.587 283 L N -0.873 120.188 121.223 -0.270 0.000 3.500 283 L HA 0.209 4.554 4.340 0.009 0.000 0.320 283 L C 0.201 176.478 176.870 -0.988 0.000 1.205 283 L CA -0.202 54.246 54.840 -0.655 0.000 1.117 283 L CB 0.394 42.142 42.059 -0.519 0.000 1.542 283 L HN 0.060 nan 8.230 nan 0.000 0.622 284 Q N 1.550 120.944 119.800 -0.676 0.000 2.534 284 Q HA 0.216 4.561 4.340 0.009 0.000 0.223 284 Q C -0.887 175.061 176.000 -0.086 0.000 1.239 284 Q CA -0.174 55.089 55.803 -0.902 0.000 0.936 284 Q CB 0.252 28.656 28.738 -0.557 0.000 1.457 284 Q HN 0.034 nan 8.270 nan 0.000 0.547 285 F N 0.263 120.243 119.950 0.051 0.000 2.418 285 F HA 0.142 4.675 4.527 0.009 0.000 0.341 285 F C 1.169 177.098 175.800 0.215 0.000 1.120 285 F CA -0.724 57.367 58.000 0.151 0.000 1.232 285 F CB 0.454 39.552 39.000 0.163 0.000 1.175 285 F HN 0.453 nan 8.300 nan 0.000 0.569 286 A N 2.212 125.214 122.820 0.304 0.000 1.844 286 A HA 0.229 4.554 4.320 0.009 0.000 0.212 286 A C 1.942 179.600 177.584 0.122 0.000 1.221 286 A CA 2.417 54.559 52.037 0.175 0.000 0.607 286 A CB -0.960 18.104 19.000 0.105 0.000 0.878 286 A HN 1.434 nan 8.150 nan 0.000 0.451 287 V N -3.787 116.182 119.914 0.092 0.000 0.540 287 V HA -0.362 3.763 4.120 0.009 0.000 0.092 287 V C 1.977 178.046 176.094 -0.041 0.000 2.123 287 V CA 2.678 65.006 62.300 0.047 0.000 3.520 287 V CB -1.722 30.179 31.823 0.130 0.000 0.812 287 V HN 2.366 nan 8.190 nan 0.000 0.847 288 G N -1.104 107.652 108.800 -0.074 0.000 3.709 288 G HA2 0.014 3.979 3.960 0.009 0.000 0.196 288 G HA3 0.014 3.979 3.960 0.009 0.000 0.196 288 G C -0.044 174.725 174.900 -0.218 0.000 1.177 288 G CA 0.388 45.408 45.100 -0.134 0.000 0.906 288 G HN 1.140 nan 8.290 nan 0.000 0.416 289 Q N 1.487 121.051 119.800 -0.393 0.000 2.278 289 Q HA 0.412 4.757 4.340 0.009 0.000 0.257 289 Q C 1.055 176.819 176.000 -0.394 0.000 0.928 289 Q CA 0.062 55.509 55.803 -0.593 0.000 0.932 289 Q CB 1.624 29.468 28.738 -1.490 0.000 1.221 289 Q HN 0.744 nan 8.270 nan 0.000 0.434 290 E N 1.838 121.887 120.200 -0.252 0.000 2.515 290 E HA -0.055 4.300 4.350 0.009 0.000 0.201 290 E C 0.848 177.360 176.600 -0.148 0.000 1.071 290 E CA 0.305 56.610 56.400 -0.159 0.000 0.880 290 E CB 0.179 29.813 29.700 -0.110 0.000 0.828 290 E HN 0.213 nan 8.360 nan 0.000 0.540 291 V N -0.157 119.681 119.914 -0.127 0.000 3.432 291 V HA 0.097 4.222 4.120 0.009 0.000 0.298 291 V C 0.008 176.221 176.094 0.199 0.000 1.464 291 V CA -0.227 62.075 62.300 0.005 0.000 1.046 291 V CB -0.133 31.749 31.823 0.098 0.000 0.887 291 V HN 0.238 nan 8.190 nan 0.000 0.441 292 F N 1.039 120.944 119.950 -0.074 0.000 2.772 292 F HA 0.294 4.826 4.527 0.009 0.000 0.302 292 F C 1.914 177.663 175.800 -0.085 0.000 1.225 292 F CA 0.460 58.438 58.000 -0.038 0.000 1.429 292 F CB -0.933 38.085 39.000 0.030 0.000 1.104 292 F HN 0.278 nan 8.300 nan 0.000 0.550 293 G N -1.023 107.724 108.800 -0.088 0.000 3.020 293 G HA2 0.102 4.068 3.960 0.009 0.000 0.217 293 G HA3 0.102 4.068 3.960 0.009 0.000 0.217 293 G C 1.448 176.274 174.900 -0.124 0.000 1.144 293 G CA -0.050 44.895 45.100 -0.258 0.000 0.760 293 G HN 0.327 nan 8.290 nan 0.000 0.548 294 L N 0.424 121.607 121.223 -0.067 0.000 2.554 294 L HA 0.267 4.612 4.340 0.009 0.000 0.226 294 L C -0.149 176.725 176.870 0.005 0.000 1.137 294 L CA 0.248 55.147 54.840 0.099 0.000 0.863 294 L CB 0.547 42.690 42.059 0.140 0.000 0.985 294 L HN -0.081 nan 8.230 nan 0.000 0.451 295 V N -0.685 119.158 119.914 -0.118 0.000 2.624 295 V HA 0.186 4.311 4.120 0.009 0.000 0.294 295 V C -1.883 173.945 176.094 -0.443 0.000 1.077 295 V CA -0.750 61.371 62.300 -0.299 0.000 0.905 295 V CB 2.151 33.886 31.823 -0.148 0.000 1.025 295 V HN -0.152 nan 8.190 nan 0.000 0.440 296 P HA -0.117 nan 4.420 nan 0.000 0.220 296 P C 1.567 178.629 177.300 -0.397 0.000 1.144 296 P CA 1.574 64.349 63.100 -0.542 0.000 0.800 296 P CB 0.339 31.589 31.700 -0.750 0.000 0.772 297 G N -0.891 107.499 108.800 -0.683 0.000 2.422 297 G HA2 -0.186 3.779 3.960 0.009 0.000 0.218 297 G HA3 -0.186 3.779 3.960 0.009 0.000 0.218 297 G C 1.295 175.844 174.900 -0.585 0.000 1.140 297 G CA 0.394 44.828 45.100 -1.109 0.000 0.775 297 G HN 0.138 nan 8.290 nan 0.000 0.545 298 L N -0.109 120.819 121.223 -0.493 0.000 2.023 298 L HA 0.202 4.548 4.340 0.009 0.000 0.205 298 L C 2.716 179.434 176.870 -0.253 0.000 1.073 298 L CA 1.406 56.007 54.840 -0.399 0.000 0.745 298 L CB -1.029 40.681 42.059 -0.580 0.000 0.900 298 L HN 0.209 nan 8.230 nan 0.000 0.435 299 M N -1.276 118.226 119.600 -0.164 0.000 2.346 299 M HA -0.232 4.253 4.480 0.009 0.000 0.263 299 M C 2.108 178.351 176.300 -0.096 0.000 1.064 299 M CA 1.460 56.751 55.300 -0.016 0.000 1.083 299 M CB -0.430 32.215 32.600 0.075 0.000 1.399 299 M HN 0.251 nan 8.290 nan 0.000 0.435 300 M N -1.635 117.828 119.600 -0.228 0.000 2.077 300 M HA -0.240 4.246 4.480 0.009 0.000 0.261 300 M C 1.604 177.734 176.300 -0.284 0.000 1.070 300 M CA 1.880 56.978 55.300 -0.336 0.000 1.125 300 M CB -0.376 31.999 32.600 -0.376 0.000 1.339 300 M HN 0.257 nan 8.290 nan 0.000 0.409 301 Y N 0.288 120.414 120.300 -0.289 0.000 2.373 301 Y HA -0.007 4.548 4.550 0.009 0.000 0.293 301 Y C 2.590 178.287 175.900 -0.339 0.000 1.129 301 Y CA 1.248 59.103 58.100 -0.408 0.000 1.226 301 Y CB -0.928 37.085 38.460 -0.744 0.000 1.000 301 Y HN 0.381 nan 8.280 nan 0.000 0.549 302 A N -0.879 121.901 122.820 -0.068 0.000 1.933 302 A HA -0.178 4.147 4.320 0.009 0.000 0.218 302 A C 2.265 179.896 177.584 0.079 0.000 1.175 302 A CA 2.300 54.435 52.037 0.164 0.000 0.628 302 A CB -0.992 18.153 19.000 0.240 0.000 0.814 302 A HN 0.387 nan 8.150 nan 0.000 0.444 303 T N -0.134 114.403 114.554 -0.029 0.000 2.937 303 T HA 0.073 4.428 4.350 0.009 0.000 0.260 303 T C 1.758 176.380 174.700 -0.130 0.000 1.051 303 T CA 1.108 63.141 62.100 -0.112 0.000 1.141 303 T CB -0.289 68.450 68.868 -0.216 0.000 0.879 303 T HN 0.412 nan 8.240 nan 0.000 0.459 304 I N -0.543 119.940 120.570 -0.144 0.000 2.286 304 I HA -0.146 4.030 4.170 0.009 0.000 0.248 304 I C 2.086 178.113 176.117 -0.150 0.000 1.115 304 I CA 1.365 62.546 61.300 -0.198 0.000 1.392 304 I CB -0.242 37.597 38.000 -0.269 0.000 1.065 304 I HN 0.325 nan 8.210 nan 0.000 0.418 305 W N 0.553 121.839 121.300 -0.024 0.000 2.418 305 W HA -0.076 4.589 4.660 0.009 0.000 0.292 305 W C 2.461 178.967 176.519 -0.022 0.000 1.213 305 W CA 0.452 57.796 57.345 -0.002 0.000 1.283 305 W CB -0.250 29.205 29.460 -0.008 0.000 1.119 305 W HN 0.070 nan 8.180 nan 0.000 0.542 306 L N 0.888 122.202 121.223 0.150 0.000 2.042 306 L HA -0.237 4.108 4.340 0.009 0.000 0.210 306 L C 2.474 179.379 176.870 0.058 0.000 1.076 306 L CA 1.788 56.669 54.840 0.068 0.000 0.749 306 L CB -0.338 41.722 42.059 0.002 0.000 0.893 306 L HN -0.047 nan 8.230 nan 0.000 0.432 307 R N -0.360 120.123 120.500 -0.028 0.000 2.081 307 R HA -0.231 4.114 4.340 0.009 0.000 0.235 307 R C 2.238 178.529 176.300 -0.016 0.000 1.131 307 R CA 1.653 57.700 56.100 -0.089 0.000 0.960 307 R CB -0.342 29.863 30.300 -0.158 0.000 0.856 307 R HN 0.389 nan 8.270 nan 0.000 0.436 308 E N 0.149 120.368 120.200 0.032 0.000 2.051 308 E HA -0.236 4.120 4.350 0.009 0.000 0.192 308 E C 1.673 178.376 176.600 0.171 0.000 0.991 308 E CA 1.794 58.241 56.400 0.078 0.000 0.799 308 E CB -0.243 29.502 29.700 0.075 0.000 0.748 308 E HN 0.401 nan 8.360 nan 0.000 0.449 309 H N -0.112 119.059 119.070 0.168 0.000 2.257 309 H HA -0.189 4.372 4.556 0.009 0.000 0.292 309 H C 2.088 177.501 175.328 0.142 0.000 1.075 309 H CA 2.762 58.925 56.048 0.191 0.000 1.212 309 H CB -0.406 29.481 29.762 0.209 0.000 1.354 309 H HN 0.115 nan 8.280 nan 0.000 0.497 310 Q N 0.300 120.210 119.800 0.183 0.000 2.082 310 Q HA -0.231 4.115 4.340 0.009 0.000 0.211 310 Q C 2.536 178.542 176.000 0.009 0.000 1.002 310 Q CA 2.152 58.005 55.803 0.084 0.000 0.868 310 Q CB -0.398 28.353 28.738 0.022 0.000 0.931 310 Q HN 0.403 nan 8.270 nan 0.000 0.414 311 R N -0.478 120.022 120.500 -0.001 0.000 2.119 311 R HA -0.197 4.148 4.340 0.009 0.000 0.246 311 R C 2.011 178.313 176.300 0.004 0.000 1.146 311 R CA 1.806 57.901 56.100 -0.009 0.000 0.962 311 R CB -0.402 29.889 30.300 -0.015 0.000 0.863 311 R HN 0.239 nan 8.270 nan 0.000 0.442 312 V N -0.085 119.832 119.914 0.005 0.000 2.358 312 V HA -0.302 3.823 4.120 0.009 0.000 0.246 312 V C 2.578 178.682 176.094 0.016 0.000 1.047 312 V CA 1.708 64.018 62.300 0.017 0.000 1.035 312 V CB -0.397 31.440 31.823 0.024 0.000 0.658 312 V HN 0.529 nan 8.190 nan 0.000 0.452 313 C N 0.210 119.493 119.300 -0.029 0.000 2.393 313 C HA -0.223 4.242 4.460 0.009 0.000 0.276 313 C C 2.540 177.573 174.990 0.072 0.000 1.215 313 C CA 1.311 60.348 59.018 0.032 0.000 1.743 313 C CB -1.121 26.645 27.740 0.044 0.000 2.044 313 C HN 0.616 nan 8.230 nan 0.000 0.464 314 D N 0.433 120.862 120.400 0.049 0.000 2.149 314 D HA -0.094 4.551 4.640 0.009 0.000 0.198 314 D C 1.891 178.209 176.300 0.031 0.000 0.990 314 D CA 1.210 55.236 54.000 0.043 0.000 0.839 314 D CB -0.376 40.439 40.800 0.025 0.000 0.948 314 D HN 0.521 nan 8.370 nan 0.000 0.460 315 I N 0.206 120.793 120.570 0.027 0.000 2.252 315 I HA -0.224 3.951 4.170 0.009 0.000 0.245 315 I C 2.129 178.254 176.117 0.012 0.000 1.102 315 I CA 0.411 61.721 61.300 0.016 0.000 1.385 315 I CB -0.002 38.013 38.000 0.024 0.000 1.064 315 I HN -0.013 nan 8.210 nan 0.000 0.414 316 L N 0.870 122.130 121.223 0.060 0.000 2.217 316 L HA -0.149 4.197 4.340 0.009 0.000 0.211 316 L C 2.357 179.248 176.870 0.034 0.000 1.107 316 L CA 1.670 56.561 54.840 0.085 0.000 0.783 316 L CB -0.903 41.306 42.059 0.249 0.000 0.919 316 L HN 0.175 nan 8.230 nan 0.000 0.442 317 K N -0.902 119.538 120.400 0.066 0.000 2.155 317 K HA -0.214 4.111 4.320 0.009 0.000 0.203 317 K C 2.069 178.654 176.600 -0.026 0.000 1.052 317 K CA 0.900 57.222 56.287 0.060 0.000 0.948 317 K CB 0.103 32.657 32.500 0.090 0.000 0.728 317 K HN 0.145 nan 8.250 nan 0.000 0.448 318 Q N 1.009 120.783 119.800 -0.044 0.000 2.226 318 Q HA -0.129 4.216 4.340 0.009 0.000 0.204 318 Q C 1.193 177.096 176.000 -0.161 0.000 0.975 318 Q CA 1.581 57.339 55.803 -0.075 0.000 0.866 318 Q CB 0.196 28.902 28.738 -0.054 0.000 0.915 318 Q HN 0.312 nan 8.270 nan 0.000 0.440 319 E N -1.068 118.970 120.200 -0.269 0.000 2.389 319 E HA 0.045 4.400 4.350 0.009 0.000 0.199 319 E C -0.142 175.916 176.600 -0.903 0.000 0.978 319 E CA 0.298 56.374 56.400 -0.541 0.000 0.912 319 E CB 0.443 29.772 29.700 -0.618 0.000 0.907 319 E HN 0.484 nan 8.360 nan 0.000 0.494 320 H N -0.386 118.441 119.070 -0.404 0.000 2.448 320 H HA 0.189 4.750 4.556 0.009 0.000 0.237 320 H C -2.017 173.194 175.328 -0.196 0.000 1.391 320 H CA -1.518 54.216 56.048 -0.525 0.000 1.477 320 H CB 1.379 30.293 29.762 -1.414 0.000 1.520 320 H HN -0.053 nan 8.280 nan 0.000 0.502 321 P HA -0.172 nan 4.420 nan 0.000 0.220 321 P C 0.825 178.179 177.300 0.090 0.000 1.148 321 P CA 1.113 64.229 63.100 0.027 0.000 0.803 321 P CB 0.402 32.101 31.700 -0.001 0.000 0.782 322 E N -2.879 117.387 120.200 0.111 0.000 2.442 322 E HA -0.054 4.302 4.350 0.009 0.000 0.195 322 E C 0.372 177.164 176.600 0.319 0.000 1.030 322 E CA 0.104 56.610 56.400 0.177 0.000 0.869 322 E CB -0.725 29.072 29.700 0.162 0.000 0.857 322 E HN 0.202 nan 8.360 nan 0.000 0.505 323 W N 1.511 122.871 121.300 0.100 0.000 2.093 323 W HA 0.585 5.250 4.660 0.009 0.000 0.352 323 W C 1.070 177.631 176.519 0.069 0.000 1.294 323 W CA -0.433 56.950 57.345 0.063 0.000 1.290 323 W CB 0.399 29.892 29.460 0.056 0.000 1.149 323 W HN 0.040 nan 8.180 nan 0.000 0.606 324 G N 0.255 109.210 108.800 0.259 0.000 3.013 324 G HA2 0.229 4.195 3.960 0.009 0.000 0.278 324 G HA3 0.229 4.195 3.960 0.009 0.000 0.278 324 G C -0.005 174.997 174.900 0.169 0.000 1.353 324 G CA -0.321 44.882 45.100 0.173 0.000 1.043 324 G HN 0.391 nan 8.290 nan 0.000 0.523 325 D N -0.533 119.966 120.400 0.164 0.000 2.212 325 D HA -0.188 4.458 4.640 0.009 0.000 0.197 325 D C 2.050 178.467 176.300 0.195 0.000 1.004 325 D CA 1.811 55.928 54.000 0.195 0.000 0.864 325 D CB 0.144 41.079 40.800 0.226 0.000 1.027 325 D HN 0.392 nan 8.370 nan 0.000 0.455 326 E N -0.348 119.952 120.200 0.167 0.000 2.233 326 E HA -0.266 4.089 4.350 0.009 0.000 0.199 326 E C 2.020 178.675 176.600 0.092 0.000 1.004 326 E CA 0.978 57.476 56.400 0.164 0.000 0.819 326 E CB -0.147 29.629 29.700 0.126 0.000 0.738 326 E HN 0.522 nan 8.360 nan 0.000 0.478 327 Q N -0.027 119.742 119.800 -0.051 0.000 2.163 327 Q HA -0.034 4.311 4.340 0.009 0.000 0.198 327 Q C 2.383 178.256 176.000 -0.212 0.000 0.954 327 Q CA 0.282 55.897 55.803 -0.313 0.000 0.851 327 Q CB 0.162 28.461 28.738 -0.732 0.000 0.928 327 Q HN 0.238 nan 8.270 nan 0.000 0.459 328 L N -0.092 121.178 121.223 0.078 0.000 2.056 328 L HA -0.155 4.190 4.340 0.009 0.000 0.207 328 L C 2.232 179.218 176.870 0.193 0.000 1.078 328 L CA 1.082 56.078 54.840 0.261 0.000 0.749 328 L CB -0.458 41.788 42.059 0.311 0.000 0.901 328 L HN 0.294 nan 8.230 nan 0.000 0.433 329 F N 0.716 120.719 119.950 0.089 0.000 2.031 329 F HA -0.274 4.259 4.527 0.009 0.000 0.295 329 F C 2.779 178.614 175.800 0.058 0.000 1.133 329 F CA 1.648 59.722 58.000 0.123 0.000 1.188 329 F CB -0.351 38.711 39.000 0.104 0.000 0.974 329 F HN 0.019 nan 8.300 nan 0.000 0.473 330 Q N -0.038 119.809 119.800 0.078 0.000 2.197 330 Q HA -0.183 4.162 4.340 0.009 0.000 0.207 330 Q C 2.145 178.081 176.000 -0.107 0.000 0.984 330 Q CA 2.236 57.998 55.803 -0.068 0.000 0.869 330 Q CB -1.153 27.597 28.738 0.021 0.000 0.906 330 Q HN 0.486 nan 8.270 nan 0.000 0.426 331 T N 0.095 114.611 114.554 -0.063 0.000 2.851 331 T HA -0.016 4.339 4.350 0.009 0.000 0.262 331 T C 2.147 176.909 174.700 0.103 0.000 1.043 331 T CA 1.048 63.180 62.100 0.053 0.000 1.140 331 T CB -0.075 68.868 68.868 0.124 0.000 0.872 331 T HN 0.185 nan 8.240 nan 0.000 0.446 332 S N 1.347 117.051 115.700 0.005 0.000 2.353 332 S HA -0.132 4.343 4.470 0.009 0.000 0.222 332 S C 1.987 176.591 174.600 0.006 0.000 1.035 332 S CA 1.312 59.486 58.200 -0.043 0.000 1.025 332 S CB -0.303 62.692 63.200 -0.342 0.000 0.902 332 S HN 0.516 nan 8.310 nan 0.000 0.440 333 K N 0.824 121.099 120.400 -0.208 0.000 2.360 333 K HA -0.013 4.313 4.320 0.009 0.000 0.201 333 K C 1.693 178.288 176.600 -0.009 0.000 1.046 333 K CA 0.818 56.936 56.287 -0.283 0.000 0.940 333 K CB -0.132 31.765 32.500 -1.005 0.000 0.748 333 K HN 0.326 nan 8.250 nan 0.000 0.465 334 L N 0.129 121.417 121.223 0.107 0.000 2.202 334 L HA -0.007 4.338 4.340 0.009 0.000 0.205 334 L C 2.110 179.205 176.870 0.375 0.000 1.083 334 L CA 0.386 55.418 54.840 0.319 0.000 0.790 334 L CB -0.107 42.218 42.059 0.443 0.000 0.942 334 L HN 0.158 nan 8.230 nan 0.000 0.452 335 I N -0.439 120.304 120.570 0.288 0.000 2.252 335 I HA -0.280 3.895 4.170 0.009 0.000 0.245 335 I C 2.219 178.444 176.117 0.180 0.000 1.102 335 I CA 0.992 62.385 61.300 0.154 0.000 1.385 335 I CB -0.109 37.990 38.000 0.165 0.000 1.064 335 I HN 0.157 nan 8.210 nan 0.000 0.414 336 L N 0.252 121.617 121.223 0.237 0.000 2.131 336 L HA -0.176 4.169 4.340 0.009 0.000 0.210 336 L C 2.305 179.279 176.870 0.173 0.000 1.092 336 L CA 1.770 56.783 54.840 0.288 0.000 0.759 336 L CB -0.668 41.593 42.059 0.337 0.000 0.903 336 L HN 0.194 nan 8.230 nan 0.000 0.435 337 I N -1.022 119.645 120.570 0.163 0.000 2.315 337 I HA -0.211 3.964 4.170 0.009 0.000 0.248 337 I C 2.463 178.667 176.117 0.145 0.000 1.117 337 I CA 1.306 62.684 61.300 0.130 0.000 1.404 337 I CB -0.829 37.268 38.000 0.161 0.000 1.071 337 I HN 0.340 nan 8.210 nan 0.000 0.419 338 G N 0.377 109.294 108.800 0.196 0.000 2.402 338 G HA2 -0.202 3.763 3.960 0.009 0.000 0.216 338 G HA3 -0.202 3.763 3.960 0.009 0.000 0.216 338 G C 1.492 176.498 174.900 0.178 0.000 1.162 338 G CA 0.485 45.729 45.100 0.239 0.000 0.777 338 G HN 0.390 nan 8.290 nan 0.000 0.539 339 E N -0.069 120.254 120.200 0.205 0.000 2.023 339 E HA -0.122 4.234 4.350 0.009 0.000 0.196 339 E C 2.789 179.539 176.600 0.250 0.000 1.003 339 E CA 1.541 58.094 56.400 0.256 0.000 0.809 339 E CB -0.410 29.521 29.700 0.384 0.000 0.755 339 E HN 0.280 nan 8.360 nan 0.000 0.449 340 T N 1.689 116.400 114.554 0.263 0.000 2.620 340 T HA -0.219 4.137 4.350 0.009 0.000 0.267 340 T C 1.959 176.658 174.700 -0.003 0.000 1.044 340 T CA 1.469 63.671 62.100 0.170 0.000 1.161 340 T CB -0.345 68.519 68.868 -0.007 0.000 0.862 340 T HN 0.138 nan 8.240 nan 0.000 0.438 341 I N 0.637 121.132 120.570 -0.125 0.000 2.361 341 I HA -0.175 4.000 4.170 0.009 0.000 0.251 341 I C 2.528 178.290 176.117 -0.591 0.000 1.133 341 I CA 1.154 62.215 61.300 -0.397 0.000 1.413 341 I CB -0.347 37.298 38.000 -0.591 0.000 1.073 341 I HN 0.176 nan 8.210 nan 0.000 0.424 342 K N 2.098 122.242 120.400 -0.426 0.000 1.985 342 K HA -0.125 4.201 4.320 0.009 0.000 0.210 342 K C 1.892 178.461 176.600 -0.051 0.000 1.047 342 K CA 1.775 57.958 56.287 -0.174 0.000 0.932 342 K CB -0.520 32.052 32.500 0.121 0.000 0.716 342 K HN 0.189 nan 8.250 nan 0.000 0.439 343 I N 0.513 121.099 120.570 0.026 0.000 2.194 343 I HA -0.268 3.907 4.170 0.009 0.000 0.246 343 I C 2.028 178.132 176.117 -0.021 0.000 1.093 343 I CA 1.141 62.477 61.300 0.061 0.000 1.355 343 I CB -0.242 37.872 38.000 0.189 0.000 1.046 343 I HN -0.012 nan 8.210 nan 0.000 0.413 344 V N 0.863 120.685 119.914 -0.153 0.000 2.759 344 V HA -0.208 3.918 4.120 0.009 0.000 0.256 344 V C 2.089 178.135 176.094 -0.079 0.000 1.080 344 V CA 1.473 63.584 62.300 -0.315 0.000 1.101 344 V CB -0.302 31.131 31.823 -0.649 0.000 0.698 344 V HN 0.353 nan 8.190 nan 0.000 0.477 345 I N -0.330 120.203 120.570 -0.062 0.000 2.499 345 I HA -0.050 4.125 4.170 0.009 0.000 0.243 345 I C 2.236 178.385 176.117 0.054 0.000 1.085 345 I CA 1.015 62.323 61.300 0.013 0.000 1.422 345 I CB -0.264 37.730 38.000 -0.011 0.000 1.165 345 I HN 0.263 nan 8.210 nan 0.000 0.440 346 E N 0.602 120.830 120.200 0.047 0.000 2.435 346 E HA -0.095 4.261 4.350 0.009 0.000 0.195 346 E C 0.706 177.348 176.600 0.070 0.000 1.029 346 E CA 0.541 56.968 56.400 0.044 0.000 0.865 346 E CB 0.288 30.011 29.700 0.039 0.000 0.833 346 E HN 0.461 nan 8.360 nan 0.000 0.510 347 D N -0.606 119.871 120.400 0.128 0.000 3.206 347 D HA -0.038 4.607 4.640 0.009 0.000 0.267 347 D C 1.441 177.973 176.300 0.388 0.000 1.506 347 D CA 0.103 54.233 54.000 0.216 0.000 1.173 347 D CB -0.695 40.224 40.800 0.198 0.000 1.141 347 D HN -0.009 nan 8.370 nan 0.000 0.350 348 Y N 2.439 122.839 120.300 0.167 0.000 2.006 348 Y HA -0.287 4.268 4.550 0.009 0.000 0.266 348 Y C 2.294 178.288 175.900 0.156 0.000 1.133 348 Y CA 1.868 59.919 58.100 -0.082 0.000 1.098 348 Y CB -0.628 37.561 38.460 -0.452 0.000 0.969 348 Y HN -0.212 nan 8.280 nan 0.000 0.482 349 V N 0.627 120.798 119.914 0.428 0.000 2.332 349 V HA -0.373 3.752 4.120 0.009 0.000 0.248 349 V C 2.358 178.518 176.094 0.110 0.000 1.055 349 V CA 2.244 64.719 62.300 0.292 0.000 1.038 349 V CB -0.943 31.037 31.823 0.261 0.000 0.651 349 V HN 0.552 nan 8.190 nan 0.000 0.450 350 Q N -0.081 119.778 119.800 0.098 0.000 2.029 350 Q HA -0.296 4.049 4.340 0.009 0.000 0.209 350 Q C 2.333 178.322 176.000 -0.018 0.000 0.999 350 Q CA 2.596 58.403 55.803 0.007 0.000 0.857 350 Q CB -0.590 28.172 28.738 0.040 0.000 0.926 350 Q HN 0.821 nan 8.270 nan 0.000 0.415 351 H N -0.513 118.548 119.070 -0.016 0.000 2.321 351 H HA -0.140 4.422 4.556 0.009 0.000 0.300 351 H C 1.874 177.116 175.328 -0.144 0.000 1.087 351 H CA 1.726 57.744 56.048 -0.051 0.000 1.319 351 H CB -0.282 29.512 29.762 0.053 0.000 1.379 351 H HN 0.389 nan 8.280 nan 0.000 0.501 352 L N 1.565 122.783 121.223 -0.009 0.000 2.129 352 L HA -0.178 4.167 4.340 0.009 0.000 0.212 352 L C 3.015 179.740 176.870 -0.242 0.000 1.087 352 L CA 2.037 56.796 54.840 -0.134 0.000 0.757 352 L CB -1.026 41.123 42.059 0.151 0.000 0.896 352 L HN 0.512 nan 8.230 nan 0.000 0.434 353 S N -1.176 114.326 115.700 -0.330 0.000 2.388 353 S HA 0.090 4.566 4.470 0.009 0.000 0.223 353 S C 1.704 176.000 174.600 -0.507 0.000 1.034 353 S CA 0.653 58.460 58.200 -0.654 0.000 0.963 353 S CB -0.433 61.935 63.200 -1.387 0.000 0.827 353 S HN 0.633 nan 8.310 nan 0.000 0.481 354 G N 0.375 108.941 108.800 -0.390 0.000 2.160 354 G HA2 -0.227 3.738 3.960 0.009 0.000 0.251 354 G HA3 -0.227 3.738 3.960 0.009 0.000 0.251 354 G C -0.218 174.563 174.900 -0.199 0.000 1.008 354 G CA 0.428 45.363 45.100 -0.275 0.000 0.724 354 G HN 0.527 nan 8.290 nan 0.000 0.514 355 Y N -0.419 119.705 120.300 -0.293 0.000 2.304 355 Y HA 0.451 5.006 4.550 0.008 0.000 0.327 355 Y C 1.703 177.380 175.900 -0.372 0.000 1.209 355 Y CA -0.697 57.162 58.100 -0.401 0.000 1.299 355 Y CB 0.455 38.747 38.460 -0.281 0.000 1.249 355 Y HN 0.316 nan 8.280 nan 0.000 0.519 356 H N 0.895 119.837 119.070 -0.213 0.000 2.502 356 H HA -0.037 4.524 4.556 0.009 0.000 0.283 356 H C 0.116 175.367 175.328 -0.128 0.000 1.015 356 H CA 0.018 55.973 56.048 -0.154 0.000 1.298 356 H CB 0.173 29.886 29.762 -0.083 0.000 1.411 356 H HN 0.387 nan 8.280 nan 0.000 0.556 357 F N 2.833 122.514 119.950 -0.448 0.000 2.495 357 F HA 0.114 4.646 4.527 0.009 0.000 0.365 357 F C 0.078 175.856 175.800 -0.037 0.000 1.090 357 F CA -0.886 56.952 58.000 -0.270 0.000 1.235 357 F CB 0.451 39.095 39.000 -0.593 0.000 1.119 357 F HN -0.216 nan 8.300 nan 0.000 0.562 358 K N 7.963 127.968 120.400 -0.657 0.000 2.292 358 K HA 0.228 4.553 4.320 0.009 0.000 0.290 358 K C -0.258 175.754 176.600 -0.979 0.000 1.083 358 K CA -0.270 55.660 56.287 -0.596 0.000 0.918 358 K CB 0.320 32.661 32.500 -0.266 0.000 1.089 358 K HN 0.648 nan 8.250 nan 0.000 0.473 359 L N 2.913 123.776 121.223 -0.600 0.000 2.483 359 L HA 0.073 4.419 4.340 0.009 0.000 0.276 359 L C 0.418 177.175 176.870 -0.189 0.000 1.213 359 L CA 0.558 55.191 54.840 -0.344 0.000 0.843 359 L CB 0.240 42.242 42.059 -0.094 0.000 1.107 359 L HN 0.534 nan 8.230 nan 0.000 0.487 360 K N 2.060 122.425 120.400 -0.059 0.000 2.464 360 K HA 0.333 4.659 4.320 0.009 0.000 0.253 360 K C -1.400 175.267 176.600 0.112 0.000 0.933 360 K CA -0.712 55.584 56.287 0.015 0.000 0.801 360 K CB 1.716 34.216 32.500 0.001 0.000 1.271 360 K HN 0.277 nan 8.250 nan 0.000 0.430 361 F N 4.286 124.204 119.950 -0.053 0.000 2.334 361 F HA 0.358 4.890 4.527 0.009 0.000 0.365 361 F C -1.077 174.655 175.800 -0.114 0.000 1.124 361 F CA -0.942 57.008 58.000 -0.083 0.000 1.166 361 F CB 0.537 39.502 39.000 -0.059 0.000 1.355 361 F HN 0.481 nan 8.300 nan 0.000 0.532 362 D N 8.122 128.299 120.400 -0.373 0.000 2.330 362 D HA 0.367 5.012 4.640 0.009 0.000 0.249 362 D C -2.166 173.747 176.300 -0.645 0.000 1.306 362 D CA -2.127 51.565 54.000 -0.513 0.000 0.956 362 D CB 1.872 42.539 40.800 -0.221 0.000 1.261 362 D HN 0.172 nan 8.370 nan 0.000 0.544 363 P HA -0.151 nan 4.420 nan 0.000 0.219 363 P C 0.781 177.421 177.300 -1.100 0.000 1.144 363 P CA 1.030 63.545 63.100 -0.975 0.000 0.806 363 P CB 0.362 31.152 31.700 -1.517 0.000 0.771 364 E N -0.641 118.903 120.200 -1.093 0.000 2.204 364 E HA -0.089 4.267 4.350 0.009 0.000 0.194 364 E C 1.885 178.122 176.600 -0.604 0.000 0.989 364 E CA 0.566 56.206 56.400 -1.266 0.000 0.824 364 E CB -0.512 28.915 29.700 -0.456 0.000 0.756 364 E HN 0.308 nan 8.360 nan 0.000 0.477 365 L N 0.429 121.427 121.223 -0.375 0.000 2.197 365 L HA -0.212 4.134 4.340 0.009 0.000 0.215 365 L C 2.043 178.844 176.870 -0.117 0.000 1.095 365 L CA 1.127 55.867 54.840 -0.168 0.000 0.764 365 L CB -0.456 41.531 42.059 -0.121 0.000 0.897 365 L HN 0.217 nan 8.230 nan 0.000 0.436 366 L N -2.139 118.971 121.223 -0.189 0.000 2.607 366 L HA 0.052 4.397 4.340 0.009 0.000 0.228 366 L C 1.806 178.827 176.870 0.252 0.000 1.123 366 L CA -0.421 54.398 54.840 -0.035 0.000 0.890 366 L CB -0.136 41.768 42.059 -0.258 0.000 1.103 366 L HN 0.047 nan 8.230 nan 0.000 0.468 367 F N 1.692 121.703 119.950 0.102 0.000 2.408 367 F HA -0.126 4.407 4.527 0.009 0.000 0.300 367 F C 1.919 177.792 175.800 0.123 0.000 1.090 367 F CA 0.665 58.746 58.000 0.134 0.000 1.427 367 F CB -0.683 38.393 39.000 0.126 0.000 1.070 367 F HN 0.412 nan 8.300 nan 0.000 0.549 368 N N -1.380 117.487 118.700 0.279 0.000 2.184 368 N HA -0.003 4.743 4.740 0.009 0.000 0.206 368 N C 0.122 175.733 175.510 0.169 0.000 1.151 368 N CA 0.060 53.226 53.050 0.193 0.000 0.878 368 N CB -0.121 38.457 38.487 0.152 0.000 1.014 368 N HN 0.054 nan 8.380 nan 0.000 0.512 369 Q N 0.626 120.540 119.800 0.190 0.000 2.205 369 Q HA 0.311 4.656 4.340 0.009 0.000 0.249 369 Q C -0.375 175.756 176.000 0.218 0.000 0.948 369 Q CA -0.310 55.598 55.803 0.175 0.000 0.895 369 Q CB 1.240 30.070 28.738 0.154 0.000 1.249 369 Q HN 0.306 nan 8.270 nan 0.000 0.458 370 Q N 0.914 120.828 119.800 0.191 0.000 2.288 370 Q HA 0.519 4.864 4.340 0.009 0.000 0.258 370 Q C -1.112 175.051 176.000 0.272 0.000 0.957 370 Q CA 0.052 55.970 55.803 0.192 0.000 0.919 370 Q CB 0.664 29.475 28.738 0.122 0.000 1.185 370 Q HN 0.411 nan 8.270 nan 0.000 0.408 371 F N 1.278 121.280 119.950 0.086 0.000 2.622 371 F HA 0.171 4.703 4.527 0.009 0.000 0.318 371 F C -1.451 174.352 175.800 0.005 0.000 1.135 371 F CA -0.855 57.142 58.000 -0.004 0.000 1.015 371 F CB 1.739 40.680 39.000 -0.099 0.000 1.275 371 F HN 0.288 nan 8.300 nan 0.000 0.457 372 Q N 5.458 124.827 119.800 -0.719 0.000 2.361 372 Q HA 0.167 4.512 4.340 0.009 0.000 0.250 372 Q C -1.028 174.652 176.000 -0.533 0.000 1.023 372 Q CA -0.028 55.525 55.803 -0.417 0.000 0.915 372 Q CB 0.433 28.978 28.738 -0.322 0.000 1.238 372 Q HN 0.658 nan 8.270 nan 0.000 0.451 373 Y N 2.810 123.064 120.300 -0.076 0.000 3.028 373 Y HA 0.011 4.566 4.550 0.009 0.000 0.381 373 Y C 0.854 176.755 175.900 0.002 0.000 1.139 373 Y CA 0.008 58.160 58.100 0.088 0.000 2.013 373 Y CB 0.032 38.612 38.460 0.201 0.000 2.146 373 Y HN 0.411 nan 8.280 nan 0.000 0.412 374 Q N -0.573 119.219 119.800 -0.013 0.000 2.626 374 Q HA 0.625 4.970 4.340 0.009 0.000 0.300 374 Q C -1.714 174.240 176.000 -0.077 0.000 0.988 374 Q CA -1.373 54.416 55.803 -0.023 0.000 0.761 374 Q CB 2.548 31.271 28.738 -0.025 0.000 1.494 374 Q HN 0.241 nan 8.270 nan 0.000 0.439 375 N N -0.972 117.686 118.700 -0.071 0.000 3.265 375 N HA 0.503 5.248 4.740 0.009 0.000 0.235 375 N C -2.259 173.213 175.510 -0.063 0.000 1.343 375 N CA -0.466 52.541 53.050 -0.072 0.000 0.904 375 N CB 2.169 40.613 38.487 -0.072 0.000 1.492 375 N HN 0.593 nan 8.380 nan 0.000 0.504 376 R N 1.768 122.257 120.500 -0.018 0.000 2.510 376 R HA 0.446 4.792 4.340 0.009 0.000 0.294 376 R C -0.815 175.607 176.300 0.203 0.000 1.056 376 R CA -0.721 55.428 56.100 0.080 0.000 0.918 376 R CB 0.585 30.844 30.300 -0.070 0.000 1.187 376 R HN 0.614 nan 8.270 nan 0.000 0.437 377 I N 2.045 122.812 120.570 0.328 0.000 2.598 377 I HA 0.472 4.648 4.170 0.009 0.000 0.284 377 I C -0.314 175.965 176.117 0.270 0.000 1.140 377 I CA 0.059 61.442 61.300 0.139 0.000 1.420 377 I CB 0.953 38.942 38.000 -0.019 0.000 1.387 377 I HN 0.636 nan 8.210 nan 0.000 0.553 378 A N 5.149 128.023 122.820 0.090 0.000 2.293 378 A HA 0.485 4.810 4.320 0.009 0.000 0.302 378 A C 1.187 178.747 177.584 -0.040 0.000 1.119 378 A CA -0.366 51.688 52.037 0.027 0.000 0.823 378 A CB 1.005 19.910 19.000 -0.159 0.000 1.097 378 A HN 0.900 nan 8.150 nan 0.000 0.491 379 S N 0.544 116.222 115.700 -0.037 0.000 2.348 379 S HA -0.163 4.312 4.470 0.009 0.000 0.221 379 S C 1.719 176.280 174.600 -0.064 0.000 1.033 379 S CA 2.132 60.253 58.200 -0.133 0.000 1.010 379 S CB -0.444 62.786 63.200 0.050 0.000 0.891 379 S HN 0.819 nan 8.310 nan 0.000 0.442 380 E N 0.795 120.990 120.200 -0.008 0.000 2.147 380 E HA -0.163 4.193 4.350 0.009 0.000 0.199 380 E C 1.603 178.182 176.600 -0.035 0.000 1.005 380 E CA 1.003 57.416 56.400 0.022 0.000 0.810 380 E CB -0.338 29.407 29.700 0.075 0.000 0.736 380 E HN 0.450 nan 8.360 nan 0.000 0.460 381 F N 1.073 120.711 119.950 -0.521 0.000 2.234 381 F HA -0.054 4.478 4.527 0.008 0.000 0.299 381 F C 1.859 177.526 175.800 -0.223 0.000 1.087 381 F CA 1.222 59.004 58.000 -0.363 0.000 1.340 381 F CB -0.520 38.191 39.000 -0.481 0.000 1.031 381 F HN 0.029 nan 8.300 nan 0.000 0.500 382 N N -1.240 117.239 118.700 -0.368 0.000 2.120 382 N HA -0.179 4.566 4.740 0.009 0.000 0.188 382 N C 1.664 176.788 175.510 -0.644 0.000 1.024 382 N CA 1.676 54.019 53.050 -1.179 0.000 0.852 382 N CB -0.013 37.968 38.487 -0.845 0.000 1.003 382 N HN 0.177 nan 8.380 nan 0.000 0.424 383 T N 1.390 115.812 114.554 -0.220 0.000 2.643 383 T HA -0.087 4.269 4.350 0.009 0.000 0.264 383 T C 1.923 176.667 174.700 0.073 0.000 1.045 383 T CA 1.006 63.106 62.100 0.000 0.000 1.155 383 T CB -0.386 68.415 68.868 -0.113 0.000 0.863 383 T HN 0.166 nan 8.240 nan 0.000 0.420 384 L N -0.440 120.782 121.223 -0.002 0.000 2.051 384 L HA -0.172 4.174 4.340 0.009 0.000 0.214 384 L C 2.073 178.894 176.870 -0.081 0.000 1.076 384 L CA 1.501 56.352 54.840 0.019 0.000 0.758 384 L CB -0.621 41.477 42.059 0.064 0.000 0.890 384 L HN 0.277 nan 8.230 nan 0.000 0.433 385 Y N -0.866 119.132 120.300 -0.502 0.000 2.488 385 Y HA -0.023 4.533 4.550 0.010 0.000 0.319 385 Y C 0.504 175.873 175.900 -0.886 0.000 1.212 385 Y CA -0.139 57.369 58.100 -0.987 0.000 1.273 385 Y CB -0.824 36.934 38.460 -1.170 0.000 1.074 385 Y HN 0.162 nan 8.280 nan 0.000 0.503 386 H N -0.904 118.040 119.070 -0.211 0.000 3.014 386 H HA 0.032 4.594 4.556 0.009 0.000 0.266 386 H C -0.587 174.868 175.328 0.211 0.000 1.455 386 H CA -0.117 55.875 56.048 -0.094 0.000 1.402 386 H CB -0.268 29.529 29.762 0.058 0.000 1.626 386 H HN 0.196 nan 8.280 nan 0.000 0.520 387 W N 2.227 123.473 121.300 -0.090 0.000 2.564 387 W HA 0.157 4.823 4.660 0.009 0.000 0.414 387 W C 0.469 176.980 176.519 -0.014 0.000 0.700 387 W CA -0.828 56.534 57.345 0.027 0.000 2.430 387 W CB -1.041 28.509 29.460 0.149 0.000 1.529 387 W HN 0.793 nan 8.180 nan 0.000 0.795 388 H N 0.529 119.851 119.070 0.420 0.000 2.457 388 H HA -0.119 4.442 4.556 0.009 0.000 0.297 388 H C -0.576 174.911 175.328 0.264 0.000 1.092 388 H CA 1.481 57.725 56.048 0.327 0.000 1.309 388 H CB -1.010 28.933 29.762 0.302 0.000 1.382 388 H HN -0.015 nan 8.280 nan 0.000 0.535 389 P HA -0.124 nan 4.420 nan 0.000 0.229 389 P C 0.846 178.225 177.300 0.132 0.000 1.150 389 P CA 1.023 64.220 63.100 0.162 0.000 0.765 389 P CB 0.008 31.749 31.700 0.068 0.000 0.783 390 L N -1.945 119.382 121.223 0.173 0.000 2.217 390 L HA -0.052 4.293 4.340 0.009 0.000 0.211 390 L C 1.060 178.027 176.870 0.162 0.000 1.107 390 L CA 0.278 55.198 54.840 0.133 0.000 0.783 390 L CB -0.638 41.535 42.059 0.190 0.000 0.919 390 L HN -0.017 nan 8.230 nan 0.000 0.442 391 L N 2.034 123.392 121.223 0.225 0.000 2.499 391 L HA 0.077 4.422 4.340 0.009 0.000 0.273 391 L C -1.795 175.192 176.870 0.194 0.000 1.195 391 L CA -1.266 53.710 54.840 0.225 0.000 0.882 391 L CB -0.141 42.206 42.059 0.481 0.000 1.133 391 L HN -0.091 nan 8.230 nan 0.000 0.483 392 P HA 0.131 nan 4.420 nan 0.000 0.293 392 P C -0.495 176.683 177.300 -0.202 0.000 1.304 392 P CA -0.455 62.487 63.100 -0.264 0.000 0.767 392 P CB 1.143 32.529 31.700 -0.523 0.000 1.247 393 D N -1.338 118.902 120.400 -0.267 0.000 2.289 393 D HA 0.024 4.669 4.640 0.009 0.000 0.207 393 D C 0.523 176.737 176.300 -0.144 0.000 0.966 393 D CA 1.339 55.280 54.000 -0.098 0.000 0.868 393 D CB 0.147 40.893 40.800 -0.090 0.000 0.943 393 D HN 0.493 nan 8.370 nan 0.000 0.514 394 T N -1.775 112.559 114.554 -0.367 0.000 2.916 394 T HA 0.513 4.868 4.350 0.009 0.000 0.305 394 T C -0.724 173.644 174.700 -0.553 0.000 1.119 394 T CA -0.849 61.044 62.100 -0.345 0.000 1.008 394 T CB 1.237 70.003 68.868 -0.170 0.000 1.129 394 T HN -0.251 nan 8.240 nan 0.000 0.480 395 F N 2.027 121.865 119.950 -0.186 0.000 2.335 395 F HA 0.379 4.912 4.527 0.009 0.000 0.365 395 F C 0.687 176.448 175.800 -0.066 0.000 1.122 395 F CA -0.965 56.861 58.000 -0.290 0.000 1.151 395 F CB 0.312 38.757 39.000 -0.925 0.000 1.282 395 F HN 0.557 nan 8.300 nan 0.000 0.513 396 N N 5.054 123.783 118.700 0.049 0.000 2.521 396 N HA 0.341 5.087 4.740 0.009 0.000 0.236 396 N C -0.705 174.799 175.510 -0.010 0.000 1.067 396 N CA -0.215 52.832 53.050 -0.005 0.000 0.939 396 N CB 0.824 39.273 38.487 -0.063 0.000 1.201 396 N HN 0.490 nan 8.380 nan 0.000 0.511 397 I N 2.083 122.610 120.570 -0.072 0.000 2.313 397 I HA 0.065 4.240 4.170 0.009 0.000 0.286 397 I C 0.063 175.973 176.117 -0.345 0.000 1.091 397 I CA -0.580 60.507 61.300 -0.356 0.000 1.216 397 I CB 0.271 37.880 38.000 -0.652 0.000 1.434 397 I HN 0.436 nan 8.210 nan 0.000 0.487 398 E N 4.884 124.949 120.200 -0.225 0.000 0.843 398 E HA -0.281 4.075 4.350 0.009 0.000 0.347 398 E C 0.030 176.572 176.600 -0.098 0.000 1.156 398 E CA 1.061 57.382 56.400 -0.132 0.000 1.297 398 E CB -0.341 29.302 29.700 -0.096 0.000 0.467 398 E HN 0.742 nan 8.360 nan 0.000 0.352 399 D N 0.257 120.610 120.400 -0.079 0.000 2.078 399 D HA -0.182 4.463 4.640 0.009 0.000 0.169 399 D C -0.132 176.109 176.300 -0.098 0.000 1.364 399 D CA 1.725 55.689 54.000 -0.060 0.000 1.286 399 D CB -0.508 40.283 40.800 -0.015 0.000 1.274 399 D HN 0.430 nan 8.370 nan 0.000 0.522 400 Q N 0.607 120.314 119.800 -0.154 0.000 2.342 400 Q HA 0.526 4.872 4.340 0.009 0.000 0.267 400 Q C -0.739 175.010 176.000 -0.417 0.000 1.038 400 Q CA -0.055 55.566 55.803 -0.304 0.000 0.832 400 Q CB 1.636 30.160 28.738 -0.356 0.000 1.323 400 Q HN 0.247 nan 8.270 nan 0.000 0.448 401 E N 2.094 122.022 120.200 -0.453 0.000 2.212 401 E HA 0.438 4.793 4.350 0.009 0.000 0.268 401 E C -1.088 175.266 176.600 -0.411 0.000 0.902 401 E CA -0.580 55.635 56.400 -0.309 0.000 0.779 401 E CB 1.613 31.206 29.700 -0.178 0.000 1.172 401 E HN 0.394 nan 8.360 nan 0.000 0.409 402 Y N 0.241 120.544 120.300 0.005 0.000 2.468 402 Y HA 0.234 4.789 4.550 0.009 0.000 0.342 402 Y C 0.598 176.558 175.900 0.100 0.000 1.021 402 Y CA -0.946 57.208 58.100 0.090 0.000 1.079 402 Y CB 1.884 40.459 38.460 0.192 0.000 1.226 402 Y HN 0.457 nan 8.280 nan 0.000 0.460 403 S N 0.797 116.689 115.700 0.321 0.000 2.617 403 S HA 0.253 4.728 4.470 0.009 0.000 0.269 403 S C 0.662 175.526 174.600 0.440 0.000 1.292 403 S CA -0.540 57.834 58.200 0.289 0.000 1.010 403 S CB 0.509 63.842 63.200 0.222 0.000 0.944 403 S HN 0.568 nan 8.310 nan 0.000 0.536 404 F N 2.028 122.131 119.950 0.254 0.000 2.043 404 F HA -0.102 4.431 4.527 0.009 0.000 0.297 404 F C 2.301 178.263 175.800 0.271 0.000 1.121 404 F CA 2.181 60.414 58.000 0.387 0.000 1.199 404 F CB -0.813 38.350 39.000 0.273 0.000 0.968 404 F HN 0.581 nan 8.300 nan 0.000 0.478 405 K N -0.051 120.579 120.400 0.382 0.000 2.228 405 K HA -0.227 4.099 4.320 0.009 0.000 0.205 405 K C 1.838 178.528 176.600 0.150 0.000 1.045 405 K CA 1.585 57.999 56.287 0.211 0.000 0.931 405 K CB -0.554 32.049 32.500 0.173 0.000 0.727 405 K HN 0.425 nan 8.250 nan 0.000 0.458 406 Q N -1.172 118.768 119.800 0.233 0.000 2.212 406 Q HA 0.031 4.377 4.340 0.009 0.000 0.199 406 Q C 1.708 177.818 176.000 0.184 0.000 0.950 406 Q CA 0.693 56.637 55.803 0.235 0.000 0.863 406 Q CB -0.025 28.940 28.738 0.379 0.000 0.944 406 Q HN 0.279 nan 8.270 nan 0.000 0.465 407 F N 1.301 121.252 119.950 0.001 0.000 2.187 407 F HA 0.038 4.570 4.527 0.009 0.000 0.295 407 F C 0.644 176.277 175.800 -0.279 0.000 1.091 407 F CA 0.306 58.192 58.000 -0.189 0.000 1.308 407 F CB 0.051 38.942 39.000 -0.182 0.000 1.030 407 F HN -0.103 nan 8.300 nan 0.000 0.487 408 L N 2.312 123.408 121.223 -0.211 0.000 2.640 408 L HA -0.166 4.180 4.340 0.009 0.000 0.280 408 L C 0.221 176.501 176.870 -0.984 0.000 1.229 408 L CA 0.174 54.674 54.840 -0.568 0.000 0.919 408 L CB -0.929 40.778 42.059 -0.588 0.000 1.168 408 L HN 0.522 nan 8.230 nan 0.000 0.496 409 Y N 1.422 121.662 120.300 -0.099 0.000 3.152 409 Y HA -0.303 4.252 4.550 0.009 0.000 0.212 409 Y C 0.064 175.919 175.900 -0.075 0.000 1.198 409 Y CA 0.274 58.337 58.100 -0.062 0.000 1.220 409 Y CB -2.284 36.190 38.460 0.023 0.000 1.326 409 Y HN 0.714 nan 8.280 nan 0.000 0.562 410 N N 1.577 120.164 118.700 -0.189 0.000 2.800 410 N HA 0.240 4.986 4.740 0.009 0.000 0.240 410 N C 0.059 175.436 175.510 -0.221 0.000 1.096 410 N CA -0.230 52.728 53.050 -0.153 0.000 0.877 410 N CB 0.049 38.431 38.487 -0.175 0.000 1.138 410 N HN 0.650 nan 8.380 nan 0.000 0.509 411 N N 0.020 118.599 118.700 -0.201 0.000 2.409 411 N HA -0.110 4.635 4.740 0.009 0.000 0.179 411 N C 1.405 176.806 175.510 -0.182 0.000 1.032 411 N CA 0.727 53.628 53.050 -0.248 0.000 0.898 411 N CB 0.333 38.534 38.487 -0.478 0.000 0.971 411 N HN 0.488 nan 8.380 nan 0.000 0.441 412 S N 1.050 116.659 115.700 -0.153 0.000 2.400 412 S HA -0.130 4.346 4.470 0.009 0.000 0.232 412 S C 1.838 176.408 174.600 -0.050 0.000 1.025 412 S CA 0.734 58.872 58.200 -0.102 0.000 0.993 412 S CB -0.535 62.622 63.200 -0.072 0.000 0.808 412 S HN 0.288 nan 8.310 nan 0.000 0.478 413 I N 1.051 121.609 120.570 -0.020 0.000 2.208 413 I HA -0.187 3.989 4.170 0.009 0.000 0.245 413 I C 2.488 178.806 176.117 0.334 0.000 1.097 413 I CA 1.171 62.548 61.300 0.128 0.000 1.363 413 I CB -0.444 37.558 38.000 0.003 0.000 1.051 413 I HN 0.278 nan 8.210 nan 0.000 0.413 414 L N 0.814 122.128 121.223 0.153 0.000 2.005 414 L HA -0.155 4.190 4.340 0.009 0.000 0.207 414 L C 2.266 179.147 176.870 0.019 0.000 1.072 414 L CA 1.823 56.633 54.840 -0.050 0.000 0.744 414 L CB -0.527 41.420 42.059 -0.187 0.000 0.895 414 L HN 0.115 nan 8.230 nan 0.000 0.433 415 L N -0.624 120.585 121.223 -0.022 0.000 2.265 415 L HA -0.142 4.203 4.340 0.009 0.000 0.215 415 L C 2.577 179.410 176.870 -0.061 0.000 1.117 415 L CA 0.650 55.436 54.840 -0.090 0.000 0.782 415 L CB -0.631 41.323 42.059 -0.175 0.000 0.914 415 L HN 0.392 nan 8.230 nan 0.000 0.441 416 E N 0.303 120.446 120.200 -0.096 0.000 1.996 416 E HA -0.201 4.154 4.350 0.009 0.000 0.197 416 E C 2.075 178.513 176.600 -0.270 0.000 1.002 416 E CA 1.777 58.010 56.400 -0.279 0.000 0.840 416 E CB -0.258 29.084 29.700 -0.596 0.000 0.786 416 E HN 0.595 nan 8.360 nan 0.000 0.469 417 H N -0.926 118.260 119.070 0.195 0.000 2.470 417 H HA 0.240 4.802 4.556 0.009 0.000 0.289 417 H C 0.850 176.295 175.328 0.194 0.000 1.033 417 H CA 0.607 56.772 56.048 0.194 0.000 1.331 417 H CB -0.120 29.769 29.762 0.212 0.000 1.414 417 H HN 0.360 nan 8.280 nan 0.000 0.545 418 G N 2.563 111.533 108.800 0.284 0.000 2.402 418 G HA2 -0.246 3.719 3.960 0.009 0.000 0.241 418 G HA3 -0.246 3.719 3.960 0.009 0.000 0.241 418 G C 0.324 175.258 174.900 0.056 0.000 0.871 418 G CA 0.207 45.388 45.100 0.136 0.000 1.232 418 G HN 0.304 nan 8.290 nan 0.000 0.369 419 L N -0.352 120.810 121.223 -0.102 0.000 3.478 419 L HA -0.398 3.948 4.340 0.009 0.000 0.054 419 L C 3.011 179.894 176.870 0.021 0.000 4.404 419 L CA 3.788 58.557 54.840 -0.118 0.000 0.544 419 L CB -2.397 39.552 42.059 -0.184 0.000 3.531 419 L HN 0.975 nan 8.230 nan 0.000 0.754 420 T N -0.870 113.693 114.554 0.015 0.000 2.607 420 T HA -0.230 4.125 4.350 0.009 0.000 0.267 420 T C 1.067 175.805 174.700 0.063 0.000 1.049 420 T CA 1.960 64.076 62.100 0.026 0.000 1.162 420 T CB -0.255 68.626 68.868 0.022 0.000 0.863 420 T HN 0.344 nan 8.240 nan 0.000 0.424 421 Q N 0.240 120.101 119.800 0.103 0.000 2.566 421 Q HA 0.474 4.819 4.340 0.009 0.000 0.221 421 Q C -0.659 175.434 176.000 0.155 0.000 1.195 421 Q CA -0.559 55.300 55.803 0.095 0.000 0.967 421 Q CB -0.387 28.423 28.738 0.121 0.000 1.337 421 Q HN 0.518 nan 8.270 nan 0.000 0.553 422 F N 0.675 120.519 119.950 -0.177 0.000 1.835 422 F HA -0.102 4.430 4.527 0.009 0.000 0.431 422 F C 0.809 176.392 175.800 -0.361 0.000 0.941 422 F CA 0.353 58.118 58.000 -0.392 0.000 0.919 422 F CB 0.037 38.865 39.000 -0.285 0.000 1.397 422 F HN 0.228 nan 8.300 nan 0.000 0.418 423 V N 0.813 120.765 119.914 0.063 0.000 2.346 423 V HA -0.170 3.956 4.120 0.009 0.000 0.244 423 V C 1.843 177.980 176.094 0.070 0.000 1.037 423 V CA 2.553 64.892 62.300 0.065 0.000 1.029 423 V CB -0.314 31.518 31.823 0.014 0.000 0.663 423 V HN 0.314 nan 8.190 nan 0.000 0.454 424 E N 0.115 120.340 120.200 0.043 0.000 2.051 424 E HA -0.171 4.185 4.350 0.009 0.000 0.192 424 E C 2.389 179.018 176.600 0.049 0.000 0.991 424 E CA 1.687 58.121 56.400 0.057 0.000 0.799 424 E CB -0.216 29.509 29.700 0.042 0.000 0.748 424 E HN 0.512 nan 8.360 nan 0.000 0.449 425 S N 0.633 116.315 115.700 -0.030 0.000 2.354 425 S HA -0.151 4.325 4.470 0.009 0.000 0.219 425 S C 1.693 176.389 174.600 0.159 0.000 1.035 425 S CA 1.076 59.255 58.200 -0.036 0.000 1.037 425 S CB -0.407 62.634 63.200 -0.265 0.000 0.956 425 S HN 0.182 nan 8.310 nan 0.000 0.428 426 F N 2.328 122.296 119.950 0.030 0.000 2.250 426 F HA -0.094 4.439 4.527 0.009 0.000 0.301 426 F C 2.741 178.606 175.800 0.108 0.000 1.077 426 F CA 0.713 58.773 58.000 0.100 0.000 1.348 426 F CB -1.989 37.125 39.000 0.190 0.000 1.040 426 F HN 0.189 nan 8.300 nan 0.000 0.509 427 T N -0.144 114.569 114.554 0.266 0.000 2.833 427 T HA -0.150 4.206 4.350 0.009 0.000 0.269 427 T C 1.006 175.799 174.700 0.156 0.000 1.054 427 T CA 0.954 63.158 62.100 0.173 0.000 1.135 427 T CB -0.258 68.691 68.868 0.134 0.000 0.869 427 T HN 0.141 nan 8.240 nan 0.000 0.466 428 R N 1.743 122.333 120.500 0.150 0.000 2.790 428 R HA 0.482 4.828 4.340 0.009 0.000 0.274 428 R C -0.386 175.971 176.300 0.096 0.000 1.334 428 R CA -0.175 55.989 56.100 0.108 0.000 1.543 428 R CB 0.459 30.809 30.300 0.084 0.000 1.154 428 R HN 0.206 nan 8.270 nan 0.000 0.601 429 Q N 2.976 122.830 119.800 0.090 0.000 2.842 429 Q HA 0.124 4.469 4.340 0.009 0.000 0.215 429 Q C -0.625 175.393 176.000 0.030 0.000 0.764 429 Q CA -0.386 55.447 55.803 0.050 0.000 0.994 429 Q CB 0.811 29.593 28.738 0.074 0.000 1.554 429 Q HN 0.639 nan 8.270 nan 0.000 0.475 430 I N 0.135 120.724 120.570 0.032 0.000 3.094 430 I HA 0.435 4.611 4.170 0.009 0.000 0.291 430 I C 0.172 176.344 176.117 0.092 0.000 1.250 430 I CA 0.020 61.357 61.300 0.061 0.000 1.401 430 I CB 0.404 38.471 38.000 0.112 0.000 1.343 430 I HN 0.510 nan 8.210 nan 0.000 0.599 431 A N 3.635 126.511 122.820 0.094 0.000 2.330 431 A HA 0.755 5.080 4.320 0.009 0.000 0.329 431 A C 0.362 178.038 177.584 0.153 0.000 1.135 431 A CA -0.176 51.934 52.037 0.122 0.000 0.817 431 A CB 0.849 19.862 19.000 0.021 0.000 1.269 431 A HN 1.053 nan 8.150 nan 0.000 0.469 432 G N -0.128 108.779 108.800 0.178 0.000 2.699 432 G HA2 0.392 4.357 3.960 0.009 0.000 0.246 432 G HA3 0.392 4.357 3.960 0.009 0.000 0.246 432 G C 0.214 174.965 174.900 -0.247 0.000 1.219 432 G CA -0.454 44.525 45.100 -0.202 0.000 0.866 432 G HN 0.858 nan 8.290 nan 0.000 0.572 433 R N -0.034 120.264 120.500 -0.336 0.000 2.390 433 R HA 0.300 4.645 4.340 0.009 0.000 0.291 433 R C 1.104 177.259 176.300 -0.242 0.000 1.070 433 R CA -0.662 55.254 56.100 -0.306 0.000 1.014 433 R CB 1.105 31.232 30.300 -0.289 0.000 1.007 433 R HN 0.261 nan 8.270 nan 0.000 0.466 434 V N 3.682 123.429 119.914 -0.278 0.000 2.232 434 V HA -0.062 4.064 4.120 0.009 0.000 0.239 434 V C 1.241 177.277 176.094 -0.095 0.000 1.040 434 V CA 1.820 64.023 62.300 -0.161 0.000 0.996 434 V CB -0.637 31.073 31.823 -0.188 0.000 0.638 434 V HN 0.939 nan 8.190 nan 0.000 0.453 435 A N -0.937 121.838 122.820 -0.076 0.000 2.325 435 A HA 0.487 4.813 4.320 0.009 0.000 0.260 435 A C 1.512 179.039 177.584 -0.094 0.000 1.133 435 A CA 0.746 52.753 52.037 -0.050 0.000 0.801 435 A CB -0.458 18.539 19.000 -0.005 0.000 1.092 435 A HN 1.350 nan 8.150 nan 0.000 0.504 436 G N -1.762 106.991 108.800 -0.078 0.000 3.047 436 G HA2 0.445 4.410 3.960 0.009 0.000 0.203 436 G HA3 0.445 4.410 3.960 0.009 0.000 0.203 436 G C 1.281 176.135 174.900 -0.076 0.000 1.444 436 G CA 0.652 45.700 45.100 -0.087 0.000 1.020 436 G HN 3.021 nan 8.290 nan 0.000 0.563 437 G N -1.132 107.621 108.800 -0.079 0.000 2.333 437 G HA2 0.541 4.506 3.960 0.009 0.000 0.330 437 G HA3 0.541 4.506 3.960 0.009 0.000 0.330 437 G C -0.015 174.845 174.900 -0.066 0.000 1.465 437 G CA 0.245 45.306 45.100 -0.064 0.000 0.996 437 G HN 1.453 nan 8.290 nan 0.000 0.655 438 R N -0.503 119.967 120.500 -0.050 0.000 2.916 438 R HA -0.231 4.114 4.340 0.009 0.000 0.232 438 R C 0.565 176.836 176.300 -0.049 0.000 0.833 438 R CA 0.994 57.069 56.100 -0.041 0.000 0.566 438 R CB -0.725 29.553 30.300 -0.036 0.000 1.058 438 R HN 0.418 nan 8.270 nan 0.000 0.498 439 N N -0.504 118.167 118.700 -0.048 0.000 2.197 439 N HA 0.075 4.820 4.740 0.009 0.000 0.228 439 N C -0.762 174.754 175.510 0.010 0.000 1.212 439 N CA -0.023 52.996 53.050 -0.051 0.000 0.883 439 N CB 1.036 39.456 38.487 -0.111 0.000 1.107 439 N HN 0.050 nan 8.380 nan 0.000 0.519 440 V N 2.870 122.801 119.914 0.028 0.000 2.415 440 V HA 0.253 4.379 4.120 0.009 0.000 0.267 440 V C -2.017 174.102 176.094 0.041 0.000 1.042 440 V CA -1.384 60.959 62.300 0.071 0.000 1.000 440 V CB 0.687 32.559 31.823 0.081 0.000 1.015 440 V HN 0.088 nan 8.190 nan 0.000 0.478 441 P HA 0.031 nan 4.420 nan 0.000 0.260 441 P C 1.195 178.421 177.300 -0.123 0.000 1.172 441 P CA 0.195 63.262 63.100 -0.054 0.000 0.760 441 P CB 0.378 32.025 31.700 -0.088 0.000 0.773 442 I N 2.489 122.984 120.570 -0.126 0.000 2.657 442 I HA -0.247 3.929 4.170 0.009 0.000 0.261 442 I C 1.871 177.888 176.117 -0.166 0.000 1.212 442 I CA 1.461 62.696 61.300 -0.110 0.000 1.453 442 I CB -1.458 36.494 38.000 -0.080 0.000 1.092 442 I HN 0.359 nan 8.210 nan 0.000 0.452 443 A N 1.514 124.137 122.820 -0.329 0.000 1.832 443 A HA -0.108 4.218 4.320 0.009 0.000 0.214 443 A C 1.827 179.275 177.584 -0.227 0.000 1.200 443 A CA 1.560 53.358 52.037 -0.400 0.000 0.610 443 A CB -0.934 17.448 19.000 -1.030 0.000 0.842 443 A HN 0.308 nan 8.150 nan 0.000 0.444 444 V N -0.082 119.696 119.914 -0.228 0.000 3.273 444 V HA 0.148 4.274 4.120 0.009 0.000 0.379 444 V C 1.131 177.180 176.094 -0.075 0.000 1.256 444 V CA 0.796 63.034 62.300 -0.102 0.000 1.455 444 V CB -1.391 30.384 31.823 -0.080 0.000 1.247 444 V HN 0.742 nan 8.190 nan 0.000 0.469 445 Q N 0.970 120.733 119.800 -0.061 0.000 2.354 445 Q HA 0.256 4.602 4.340 0.009 0.000 0.203 445 Q C 1.956 177.949 176.000 -0.011 0.000 0.933 445 Q CA 1.201 56.991 55.803 -0.021 0.000 0.901 445 Q CB -0.121 28.602 28.738 -0.025 0.000 1.007 445 Q HN 0.553 nan 8.270 nan 0.000 0.495 446 A N 1.057 123.863 122.820 -0.023 0.000 1.930 446 A HA -0.071 4.254 4.320 0.009 0.000 0.217 446 A C 2.255 179.823 177.584 -0.026 0.000 1.175 446 A CA 1.386 53.412 52.037 -0.018 0.000 0.627 446 A CB -0.751 18.241 19.000 -0.013 0.000 0.815 446 A HN 0.234 nan 8.150 nan 0.000 0.443 447 V N -0.042 119.846 119.914 -0.043 0.000 2.223 447 V HA -0.265 3.861 4.120 0.009 0.000 0.244 447 V C 3.093 179.169 176.094 -0.030 0.000 1.045 447 V CA 2.063 64.329 62.300 -0.057 0.000 1.000 447 V CB -1.384 30.329 31.823 -0.183 0.000 0.635 447 V HN 0.604 nan 8.190 nan 0.000 0.445 448 A N -0.555 122.293 122.820 0.047 0.000 1.948 448 A HA -0.318 4.007 4.320 0.009 0.000 0.220 448 A C 2.365 180.014 177.584 0.110 0.000 1.177 448 A CA 2.459 54.600 52.037 0.174 0.000 0.636 448 A CB -0.549 18.594 19.000 0.239 0.000 0.815 448 A HN 0.537 nan 8.150 nan 0.000 0.449 449 K N -0.579 119.848 120.400 0.046 0.000 2.031 449 K HA -0.019 4.306 4.320 0.009 0.000 0.205 449 K C 2.263 178.838 176.600 -0.042 0.000 1.049 449 K CA 1.034 57.337 56.287 0.027 0.000 0.939 449 K CB -0.350 32.158 32.500 0.014 0.000 0.717 449 K HN 0.358 nan 8.250 nan 0.000 0.438 450 A N 1.085 123.862 122.820 -0.071 0.000 1.903 450 A HA -0.219 4.107 4.320 0.009 0.000 0.219 450 A C 2.200 179.657 177.584 -0.213 0.000 1.191 450 A CA 2.399 54.373 52.037 -0.106 0.000 0.638 450 A CB -0.849 18.099 19.000 -0.086 0.000 0.823 450 A HN 0.402 nan 8.150 nan 0.000 0.451 451 S N -0.061 115.413 115.700 -0.378 0.000 2.359 451 S HA -0.184 4.292 4.470 0.009 0.000 0.223 451 S C 1.831 176.092 174.600 -0.566 0.000 1.039 451 S CA 1.624 59.379 58.200 -0.742 0.000 1.042 451 S CB -0.626 61.640 63.200 -1.556 0.000 0.915 451 S HN 0.549 nan 8.310 nan 0.000 0.439 452 I N 2.007 122.386 120.570 -0.319 0.000 2.091 452 I HA -0.271 3.904 4.170 0.009 0.000 0.239 452 I C 2.187 178.247 176.117 -0.096 0.000 1.061 452 I CA 1.514 62.774 61.300 -0.066 0.000 1.317 452 I CB -0.737 37.328 38.000 0.107 0.000 1.031 452 I HN 0.211 nan 8.210 nan 0.000 0.401 453 D N 0.589 120.941 120.400 -0.081 0.000 2.116 453 D HA -0.220 4.425 4.640 0.009 0.000 0.193 453 D C 2.268 178.525 176.300 -0.072 0.000 0.998 453 D CA 1.424 55.391 54.000 -0.054 0.000 0.836 453 D CB -0.408 40.368 40.800 -0.038 0.000 0.951 453 D HN 0.471 nan 8.370 nan 0.000 0.449 454 Q N 0.279 120.007 119.800 -0.121 0.000 2.084 454 Q HA -0.071 4.275 4.340 0.009 0.000 0.202 454 Q C 2.342 178.251 176.000 -0.153 0.000 0.978 454 Q CA 1.297 57.035 55.803 -0.109 0.000 0.844 454 Q CB -0.048 28.619 28.738 -0.117 0.000 0.898 454 Q HN 0.137 nan 8.270 nan 0.000 0.426 455 S N 0.741 116.242 115.700 -0.331 0.000 2.400 455 S HA -0.164 4.312 4.470 0.009 0.000 0.232 455 S C 1.742 176.239 174.600 -0.172 0.000 1.025 455 S CA 1.112 58.954 58.200 -0.597 0.000 0.993 455 S CB -0.183 62.543 63.200 -0.790 0.000 0.808 455 S HN 0.316 nan 8.310 nan 0.000 0.478 456 R N 1.262 121.717 120.500 -0.075 0.000 2.075 456 R HA -0.104 4.242 4.340 0.009 0.000 0.232 456 R C 2.538 178.879 176.300 0.068 0.000 1.126 456 R CA 1.523 57.643 56.100 0.034 0.000 0.963 456 R CB -0.349 29.969 30.300 0.030 0.000 0.858 456 R HN 0.725 nan 8.270 nan 0.000 0.435 457 E N 0.530 120.756 120.200 0.045 0.000 2.208 457 E HA -0.138 4.218 4.350 0.009 0.000 0.193 457 E C 1.237 177.896 176.600 0.099 0.000 0.988 457 E CA 0.838 57.277 56.400 0.066 0.000 0.828 457 E CB -0.096 29.635 29.700 0.052 0.000 0.763 457 E HN 0.224 nan 8.360 nan 0.000 0.478 458 M N 1.444 121.126 119.600 0.137 0.000 2.729 458 M HA 0.098 4.584 4.480 0.009 0.000 0.229 458 M C -0.651 175.800 176.300 0.251 0.000 1.280 458 M CA -0.149 55.272 55.300 0.201 0.000 1.012 458 M CB 0.294 33.078 32.600 0.306 0.000 1.603 458 M HN -0.180 nan 8.290 nan 0.000 0.452 459 K N 0.176 120.685 120.400 0.183 0.000 3.903 459 K HA -0.221 4.105 4.320 0.009 0.000 0.275 459 K C -0.969 175.747 176.600 0.194 0.000 0.825 459 K CA 0.977 57.355 56.287 0.152 0.000 0.684 459 K CB -2.007 30.538 32.500 0.076 0.000 1.707 459 K HN 0.325 nan 8.250 nan 0.000 0.435 460 Y N 0.416 120.759 120.300 0.071 0.000 2.296 460 Y HA 0.081 4.636 4.550 0.008 0.000 0.343 460 Y C 1.722 177.705 175.900 0.139 0.000 1.292 460 Y CA -0.004 58.175 58.100 0.133 0.000 1.490 460 Y CB 0.649 39.185 38.460 0.127 0.000 1.359 460 Y HN 0.242 nan 8.280 nan 0.000 0.599 461 Q N -0.074 119.921 119.800 0.324 0.000 2.195 461 Q HA 0.396 4.742 4.340 0.009 0.000 0.250 461 Q C -0.383 175.767 176.000 0.250 0.000 0.988 461 Q CA -1.038 54.852 55.803 0.144 0.000 0.911 461 Q CB 1.397 30.050 28.738 -0.142 0.000 1.258 461 Q HN 0.772 nan 8.270 nan 0.000 0.475 462 S N 0.072 115.835 115.700 0.105 0.000 2.573 462 S HA -0.036 4.439 4.470 0.009 0.000 0.277 462 S C 0.941 175.641 174.600 0.166 0.000 1.346 462 S CA -0.449 57.812 58.200 0.101 0.000 1.034 462 S CB 0.453 63.663 63.200 0.018 0.000 0.879 462 S HN 0.679 nan 8.310 nan 0.000 0.528 463 L N 2.292 123.581 121.223 0.111 0.000 2.079 463 L HA -0.118 4.227 4.340 0.009 0.000 0.210 463 L C 1.832 178.735 176.870 0.055 0.000 1.081 463 L CA 2.027 56.934 54.840 0.112 0.000 0.752 463 L CB -1.202 40.860 42.059 0.006 0.000 0.896 463 L HN 0.835 nan 8.230 nan 0.000 0.433 464 N N -0.916 117.772 118.700 -0.019 0.000 2.188 464 N HA -0.155 4.591 4.740 0.009 0.000 0.184 464 N C 1.643 177.110 175.510 -0.071 0.000 1.018 464 N CA 1.096 54.102 53.050 -0.072 0.000 0.858 464 N CB -0.021 38.417 38.487 -0.083 0.000 0.989 464 N HN 0.398 nan 8.380 nan 0.000 0.426 465 E N 0.354 120.507 120.200 -0.079 0.000 2.047 465 E HA -0.157 4.199 4.350 0.009 0.000 0.191 465 E C 1.630 178.122 176.600 -0.181 0.000 0.987 465 E CA 1.105 57.405 56.400 -0.167 0.000 0.799 465 E CB -0.480 29.073 29.700 -0.245 0.000 0.752 465 E HN 0.492 nan 8.360 nan 0.000 0.449 466 Y N 1.353 121.662 120.300 0.016 0.000 2.165 466 Y HA -0.175 4.380 4.550 0.008 0.000 0.286 466 Y C 2.584 178.546 175.900 0.104 0.000 1.155 466 Y CA 1.406 59.560 58.100 0.090 0.000 1.164 466 Y CB -0.238 38.268 38.460 0.077 0.000 0.978 466 Y HN 0.002 nan 8.280 nan 0.000 0.513 467 R N 0.111 120.677 120.500 0.110 0.000 2.073 467 R HA -0.184 4.161 4.340 0.009 0.000 0.234 467 R C 2.184 178.491 176.300 0.012 0.000 1.134 467 R CA 1.763 57.867 56.100 0.006 0.000 0.952 467 R CB -0.304 29.904 30.300 -0.154 0.000 0.850 467 R HN 0.312 nan 8.270 nan 0.000 0.433 468 K N 0.095 120.471 120.400 -0.040 0.000 2.032 468 K HA -0.204 4.121 4.320 0.009 0.000 0.209 468 K C 2.120 178.676 176.600 -0.074 0.000 1.048 468 K CA 1.468 57.709 56.287 -0.077 0.000 0.927 468 K CB -0.177 32.254 32.500 -0.115 0.000 0.712 468 K HN -0.080 nan 8.250 nan 0.000 0.441 469 R N 0.777 121.243 120.500 -0.057 0.000 2.117 469 R HA -0.134 4.212 4.340 0.009 0.000 0.243 469 R C 0.708 176.817 176.300 -0.317 0.000 1.143 469 R CA 1.562 57.570 56.100 -0.154 0.000 0.968 469 R CB -0.351 29.908 30.300 -0.069 0.000 0.863 469 R HN 0.090 nan 8.270 nan 0.000 0.444 470 F N 0.614 120.503 119.950 -0.102 0.000 2.916 470 F HA 0.311 4.843 4.527 0.008 0.000 0.294 470 F C 0.563 176.299 175.800 -0.107 0.000 1.189 470 F CA -0.079 57.845 58.000 -0.127 0.000 1.369 470 F CB 0.027 38.947 39.000 -0.134 0.000 0.961 470 F HN -0.064 nan 8.300 nan 0.000 0.508 471 S N 0.090 115.770 115.700 -0.034 0.000 3.445 471 S HA -0.215 4.260 4.470 0.009 0.000 0.319 471 S C 0.256 174.859 174.600 0.004 0.000 1.209 471 S CA 0.389 58.579 58.200 -0.016 0.000 0.934 471 S CB -1.960 61.240 63.200 0.001 0.000 0.999 471 S HN 0.324 nan 8.310 nan 0.000 0.582 472 L N 0.478 121.702 121.223 0.001 0.000 2.375 472 L HA 0.483 4.828 4.340 0.009 0.000 0.268 472 L C 0.507 177.336 176.870 -0.067 0.000 1.058 472 L CA -0.673 54.149 54.840 -0.030 0.000 0.803 472 L CB 0.818 42.845 42.059 -0.053 0.000 1.212 472 L HN 0.027 nan 8.230 nan 0.000 0.451 473 K N 3.143 123.496 120.400 -0.078 0.000 2.234 473 K HA 0.326 4.651 4.320 0.009 0.000 0.282 473 K C -2.297 174.212 176.600 -0.151 0.000 1.039 473 K CA -1.601 54.639 56.287 -0.079 0.000 0.928 473 K CB 1.114 33.594 32.500 -0.034 0.000 1.039 473 K HN 0.242 nan 8.250 nan 0.000 0.470 474 P HA -0.058 nan 4.420 nan 0.000 0.272 474 P C -0.942 176.297 177.300 -0.101 0.000 1.223 474 P CA -0.057 62.934 63.100 -0.181 0.000 0.784 474 P CB 0.355 31.990 31.700 -0.108 0.000 0.923 475 Y N 0.505 120.763 120.300 -0.070 0.000 2.442 475 Y HA 0.055 4.611 4.550 0.010 0.000 0.330 475 Y C 1.970 177.815 175.900 -0.092 0.000 1.129 475 Y CA 0.130 58.179 58.100 -0.085 0.000 1.365 475 Y CB -0.218 38.168 38.460 -0.124 0.000 1.233 475 Y HN 0.328 nan 8.280 nan 0.000 0.529 476 T N -1.405 113.224 114.554 0.124 0.000 3.107 476 T HA 0.186 4.541 4.350 0.009 0.000 0.249 476 T C -0.062 174.653 174.700 0.024 0.000 1.096 476 T CA 0.354 62.483 62.100 0.049 0.000 1.012 476 T CB -0.331 68.565 68.868 0.046 0.000 0.977 476 T HN 0.514 nan 8.240 nan 0.000 0.527 477 S N -0.593 115.102 115.700 -0.009 0.000 2.580 477 S HA 0.450 4.925 4.470 0.009 0.000 0.281 477 S C -0.139 174.422 174.600 -0.064 0.000 1.129 477 S CA -0.980 57.222 58.200 0.003 0.000 0.862 477 S CB 0.019 63.254 63.200 0.058 0.000 1.090 477 S HN -0.096 nan 8.310 nan 0.000 0.451 478 F N 2.061 121.995 119.950 -0.026 0.000 2.202 478 F HA -0.078 4.450 4.527 0.001 0.000 0.301 478 F C 2.679 178.422 175.800 -0.095 0.000 1.082 478 F CA 1.742 59.713 58.000 -0.049 0.000 1.313 478 F CB -0.363 38.636 39.000 -0.002 0.000 1.024 478 F HN 0.712 nan 8.300 nan 0.000 0.495 479 E N 0.818 121.099 120.200 0.134 0.000 2.077 479 E HA -0.276 4.079 4.350 0.009 0.000 0.193 479 E C 1.931 178.489 176.600 -0.070 0.000 0.989 479 E CA 1.520 57.938 56.400 0.030 0.000 0.800 479 E CB -0.992 28.731 29.700 0.038 0.000 0.746 479 E HN 0.637 nan 8.360 nan 0.000 0.452 480 E N 1.080 121.209 120.200 -0.119 0.000 2.110 480 E HA -0.169 4.186 4.350 0.009 0.000 0.193 480 E C 2.190 178.470 176.600 -0.534 0.000 0.988 480 E CA 0.807 57.067 56.400 -0.233 0.000 0.804 480 E CB -0.121 29.483 29.700 -0.161 0.000 0.745 480 E HN 0.186 nan 8.360 nan 0.000 0.458 481 L N 1.142 121.966 121.223 -0.665 0.000 1.961 481 L HA -0.171 4.175 4.340 0.009 0.000 0.210 481 L C 2.610 179.229 176.870 -0.419 0.000 1.072 481 L CA 3.099 57.411 54.840 -0.881 0.000 0.749 481 L CB -1.466 40.309 42.059 -0.473 0.000 0.889 481 L HN 0.380 nan 8.230 nan 0.000 0.432 482 T N -2.822 111.608 114.554 -0.205 0.000 2.833 482 T HA 0.084 4.439 4.350 0.009 0.000 0.269 482 T C 1.635 176.274 174.700 -0.101 0.000 1.054 482 T CA 1.146 63.181 62.100 -0.110 0.000 1.135 482 T CB -0.976 67.865 68.868 -0.044 0.000 0.869 482 T HN 1.125 nan 8.240 nan 0.000 0.466 483 G N 1.419 110.153 108.800 -0.110 0.000 2.136 483 G HA2 -0.096 3.869 3.960 0.009 0.000 0.242 483 G HA3 -0.096 3.869 3.960 0.009 0.000 0.242 483 G C -0.167 174.703 174.900 -0.050 0.000 0.989 483 G CA 0.567 45.620 45.100 -0.079 0.000 0.682 483 G HN 1.094 nan 8.290 nan 0.000 0.522 484 E N -2.858 117.316 120.200 -0.044 0.000 2.425 484 E HA 0.788 5.143 4.350 0.009 0.000 0.272 484 E C 0.232 176.820 176.600 -0.020 0.000 1.061 484 E CA -0.832 55.551 56.400 -0.029 0.000 0.877 484 E CB 0.237 29.919 29.700 -0.031 0.000 1.590 484 E HN 0.052 nan 8.360 nan 0.000 0.462 485 K N -0.719 119.672 120.400 -0.015 0.000 2.491 485 K HA 0.240 4.566 4.320 0.009 0.000 0.211 485 K C 1.146 177.739 176.600 -0.013 0.000 1.210 485 K CA 0.205 56.486 56.287 -0.009 0.000 1.003 485 K CB 0.444 32.940 32.500 -0.007 0.000 1.009 485 K HN 0.498 nan 8.250 nan 0.000 0.577 486 E N 0.785 120.975 120.200 -0.016 0.000 2.012 486 E HA -0.182 4.173 4.350 0.009 0.000 0.197 486 E C 1.619 178.208 176.600 -0.018 0.000 1.007 486 E CA 1.806 58.195 56.400 -0.019 0.000 0.816 486 E CB -0.047 29.641 29.700 -0.021 0.000 0.762 486 E HN 0.339 nan 8.360 nan 0.000 0.451 487 M N -0.108 119.485 119.600 -0.013 0.000 2.099 487 M HA -0.113 4.373 4.480 0.009 0.000 0.262 487 M C 2.455 178.762 176.300 0.012 0.000 1.067 487 M CA 1.304 56.602 55.300 -0.003 0.000 1.124 487 M CB -0.381 32.219 32.600 0.001 0.000 1.353 487 M HN 0.085 nan 8.290 nan 0.000 0.410 488 A N 1.033 123.867 122.820 0.023 0.000 1.870 488 A HA -0.267 4.058 4.320 0.009 0.000 0.219 488 A C 2.384 179.976 177.584 0.014 0.000 1.224 488 A CA 2.782 54.859 52.037 0.066 0.000 0.650 488 A CB -1.374 17.657 19.000 0.051 0.000 0.836 488 A HN 0.535 nan 8.150 nan 0.000 0.454 489 A N -0.853 121.953 122.820 -0.024 0.000 1.972 489 A HA -0.125 4.200 4.320 0.009 0.000 0.219 489 A C 1.937 179.449 177.584 -0.121 0.000 1.169 489 A CA 2.263 54.254 52.037 -0.076 0.000 0.635 489 A CB -0.519 18.453 19.000 -0.047 0.000 0.810 489 A HN 0.674 nan 8.150 nan 0.000 0.446 490 E N 0.385 120.539 120.200 -0.077 0.000 2.085 490 E HA -0.169 4.186 4.350 0.009 0.000 0.194 490 E C 1.749 178.286 176.600 -0.105 0.000 0.994 490 E CA 1.567 57.923 56.400 -0.074 0.000 0.801 490 E CB -0.495 29.183 29.700 -0.037 0.000 0.743 490 E HN 0.578 nan 8.360 nan 0.000 0.453 491 L N 0.133 121.302 121.223 -0.090 0.000 2.056 491 L HA -0.105 4.241 4.340 0.009 0.000 0.207 491 L C 2.705 179.290 176.870 -0.476 0.000 1.078 491 L CA 1.534 56.340 54.840 -0.056 0.000 0.749 491 L CB -0.399 41.798 42.059 0.231 0.000 0.901 491 L HN 0.155 nan 8.230 nan 0.000 0.433 492 K N 0.233 120.108 120.400 -0.874 0.000 2.074 492 K HA -0.254 4.072 4.320 0.009 0.000 0.209 492 K C 2.042 178.326 176.600 -0.527 0.000 1.048 492 K CA 1.581 57.170 56.287 -1.164 0.000 0.926 492 K CB -0.158 31.966 32.500 -0.627 0.000 0.713 492 K HN 0.312 nan 8.250 nan 0.000 0.444 493 A N 0.655 123.286 122.820 -0.315 0.000 1.978 493 A HA -0.128 4.198 4.320 0.009 0.000 0.220 493 A C 1.998 179.468 177.584 -0.189 0.000 1.170 493 A CA 1.354 53.276 52.037 -0.191 0.000 0.636 493 A CB -0.380 18.537 19.000 -0.138 0.000 0.810 493 A HN 0.316 nan 8.150 nan 0.000 0.448 494 L N -3.055 118.026 121.223 -0.236 0.000 2.121 494 L HA -0.013 4.332 4.340 0.009 0.000 0.200 494 L C 2.299 178.988 176.870 -0.302 0.000 1.077 494 L CA 0.972 55.641 54.840 -0.285 0.000 0.766 494 L CB -0.467 41.375 42.059 -0.362 0.000 0.931 494 L HN 0.423 nan 8.230 nan 0.000 0.452 495 Y N -1.092 119.168 120.300 -0.066 0.000 2.517 495 Y HA -0.019 4.535 4.550 0.006 0.000 0.281 495 Y C 2.204 178.200 175.900 0.160 0.000 1.125 495 Y CA 0.687 58.871 58.100 0.139 0.000 1.283 495 Y CB 0.232 38.965 38.460 0.455 0.000 1.042 495 Y HN 0.276 nan 8.280 nan 0.000 0.547 496 S N -0.242 115.500 115.700 0.070 0.000 2.859 496 S HA -0.341 4.134 4.470 0.009 0.000 0.245 496 S C 0.354 175.144 174.600 0.316 0.000 1.352 496 S CA 1.829 60.084 58.200 0.091 0.000 2.857 496 S CB -1.711 61.535 63.200 0.077 0.000 1.421 496 S HN 0.542 nan 8.310 nan 0.000 0.495 497 D N 1.227 121.846 120.400 0.365 0.000 2.249 497 D HA 0.411 5.056 4.640 0.009 0.000 0.246 497 D C 1.102 177.600 176.300 0.329 0.000 1.114 497 D CA 0.118 54.300 54.000 0.304 0.000 0.854 497 D CB 1.131 42.033 40.800 0.170 0.000 1.132 497 D HN 0.325 nan 8.370 nan 0.000 0.461 498 I N 4.022 124.658 120.570 0.111 0.000 2.208 498 I HA -0.259 3.916 4.170 0.009 0.000 0.245 498 I C 1.381 177.309 176.117 -0.315 0.000 1.097 498 I CA 1.548 62.522 61.300 -0.544 0.000 1.363 498 I CB -0.208 37.526 38.000 -0.444 0.000 1.051 498 I HN 0.428 nan 8.210 nan 0.000 0.413 499 D N 0.290 120.625 120.400 -0.110 0.000 2.127 499 D HA -0.189 4.457 4.640 0.009 0.000 0.190 499 D C 2.199 178.469 176.300 -0.050 0.000 1.000 499 D CA 1.964 55.922 54.000 -0.070 0.000 0.839 499 D CB -0.655 40.130 40.800 -0.025 0.000 0.955 499 D HN 0.302 nan 8.370 nan 0.000 0.446 500 V N 1.125 121.052 119.914 0.022 0.000 3.284 500 V HA -0.175 3.950 4.120 0.009 0.000 0.273 500 V C 1.111 177.227 176.094 0.037 0.000 1.178 500 V CA 0.262 62.613 62.300 0.085 0.000 1.177 500 V CB -0.778 31.149 31.823 0.174 0.000 0.793 500 V HN 0.172 nan 8.190 nan 0.000 0.536 501 M N 1.169 120.675 119.600 -0.158 0.000 2.239 501 M HA 0.181 4.667 4.480 0.009 0.000 0.348 501 M C 0.304 176.428 176.300 -0.293 0.000 1.239 501 M CA 0.040 55.048 55.300 -0.487 0.000 1.114 501 M CB 0.004 32.281 32.600 -0.538 0.000 1.641 501 M HN 0.282 nan 8.290 nan 0.000 0.453 502 E N 3.484 123.473 120.200 -0.351 0.000 2.366 502 E HA 0.069 4.424 4.350 0.009 0.000 0.266 502 E C 0.636 177.212 176.600 -0.041 0.000 1.051 502 E CA -0.374 55.982 56.400 -0.074 0.000 0.884 502 E CB 0.885 30.602 29.700 0.028 0.000 1.006 502 E HN 0.804 nan 8.360 nan 0.000 0.417 503 L N 3.532 124.784 121.223 0.049 0.000 1.994 503 L HA -0.241 4.105 4.340 0.009 0.000 0.208 503 L C 2.146 179.029 176.870 0.022 0.000 1.071 503 L CA 1.807 56.668 54.840 0.035 0.000 0.745 503 L CB -0.534 41.536 42.059 0.018 0.000 0.892 503 L HN 0.700 nan 8.230 nan 0.000 0.431 504 Y N 0.845 121.082 120.300 -0.105 0.000 2.070 504 Y HA -0.159 4.397 4.550 0.010 0.000 0.280 504 Y C -0.510 175.364 175.900 -0.043 0.000 1.148 504 Y CA 1.939 59.978 58.100 -0.100 0.000 1.125 504 Y CB -1.942 36.418 38.460 -0.167 0.000 0.975 504 Y HN 0.213 nan 8.280 nan 0.000 0.492 505 P HA -0.232 nan 4.420 nan 0.000 0.214 505 P C 1.600 178.785 177.300 -0.192 0.000 1.163 505 P CA 2.812 65.750 63.100 -0.269 0.000 0.889 505 P CB -0.431 31.248 31.700 -0.035 0.000 0.790 506 A N -0.835 121.915 122.820 -0.117 0.000 1.986 506 A HA -0.214 4.111 4.320 0.009 0.000 0.220 506 A C 2.210 179.763 177.584 -0.052 0.000 1.171 506 A CA 1.596 53.594 52.037 -0.066 0.000 0.640 506 A CB -1.743 17.234 19.000 -0.038 0.000 0.811 506 A HN 0.127 nan 8.150 nan 0.000 0.451 507 L N -0.923 120.251 121.223 -0.081 0.000 2.046 507 L HA -0.189 4.156 4.340 0.009 0.000 0.208 507 L C 2.532 179.366 176.870 -0.059 0.000 1.077 507 L CA 1.243 56.051 54.840 -0.054 0.000 0.747 507 L CB -0.433 41.599 42.059 -0.045 0.000 0.896 507 L HN 0.400 nan 8.230 nan 0.000 0.432 508 L N -1.260 119.885 121.223 -0.130 0.000 2.131 508 L HA -0.041 4.305 4.340 0.009 0.000 0.206 508 L C 1.115 177.935 176.870 -0.084 0.000 1.087 508 L CA 0.337 55.110 54.840 -0.112 0.000 0.767 508 L CB -0.082 41.865 42.059 -0.187 0.000 0.917 508 L HN -0.012 nan 8.230 nan 0.000 0.441 509 V N 1.162 121.026 119.914 -0.082 0.000 2.224 509 V HA 0.158 4.284 4.120 0.009 0.000 0.289 509 V C -0.064 176.003 176.094 -0.045 0.000 1.518 509 V CA -0.012 62.256 62.300 -0.053 0.000 1.533 509 V CB -0.415 31.390 31.823 -0.030 0.000 1.460 509 V HN 0.249 nan 8.190 nan 0.000 0.515 510 E N 1.902 122.075 120.200 -0.045 0.000 2.314 510 E HA 0.327 4.682 4.350 0.009 0.000 0.272 510 E C -0.281 176.292 176.600 -0.046 0.000 0.884 510 E CA -0.942 55.435 56.400 -0.039 0.000 0.753 510 E CB 1.628 31.335 29.700 0.011 0.000 1.213 510 E HN 0.354 nan 8.360 nan 0.000 0.432 511 K N 4.963 125.324 120.400 -0.065 0.000 2.405 511 K HA 0.079 4.404 4.320 0.009 0.000 0.276 511 K C -2.345 174.233 176.600 -0.037 0.000 1.099 511 K CA -0.772 55.480 56.287 -0.057 0.000 1.120 511 K CB 0.195 32.653 32.500 -0.069 0.000 0.877 511 K HN 0.178 nan 8.250 nan 0.000 0.472 512 P HA 0.056 nan 4.420 nan 0.000 0.271 512 P C -0.873 176.399 177.300 -0.046 0.000 1.218 512 P CA -0.117 62.950 63.100 -0.055 0.000 0.780 512 P CB 0.609 32.256 31.700 -0.090 0.000 0.901 513 R N 3.921 124.386 120.500 -0.058 0.000 2.643 513 R HA 0.172 4.518 4.340 0.009 0.000 0.270 513 R C -1.766 174.529 176.300 -0.009 0.000 1.061 513 R CA -1.145 54.926 56.100 -0.048 0.000 1.107 513 R CB -0.953 29.228 30.300 -0.198 0.000 0.999 513 R HN 0.449 nan 8.270 nan 0.000 0.460 514 P HA -0.302 nan 4.420 nan 0.000 0.258 514 P C -0.446 176.839 177.300 -0.025 0.000 0.950 514 P CA 1.375 64.494 63.100 0.030 0.000 1.120 514 P CB 0.042 31.789 31.700 0.079 0.000 0.775 515 D N -0.614 119.762 120.400 -0.041 0.000 2.856 515 D HA 0.389 5.034 4.640 0.009 0.000 0.242 515 D C 0.135 176.356 176.300 -0.131 0.000 1.226 515 D CA 0.116 54.065 54.000 -0.086 0.000 0.855 515 D CB -0.695 40.053 40.800 -0.085 0.000 1.065 515 D HN 0.290 nan 8.370 nan 0.000 0.462 516 A N 0.013 122.754 122.820 -0.131 0.000 2.311 516 A HA 0.462 4.787 4.320 0.009 0.000 0.334 516 A C 0.933 178.346 177.584 -0.285 0.000 1.139 516 A CA -0.739 51.179 52.037 -0.198 0.000 0.830 516 A CB 0.882 19.808 19.000 -0.123 0.000 1.234 516 A HN 0.354 nan 8.150 nan 0.000 0.483 517 I N -0.653 119.632 120.570 -0.475 0.000 2.761 517 I HA 0.116 4.291 4.170 0.009 0.000 0.261 517 I C -0.591 175.148 176.117 -0.630 0.000 1.198 517 I CA 0.824 61.720 61.300 -0.674 0.000 1.482 517 I CB -0.137 37.238 38.000 -1.041 0.000 1.100 517 I HN 0.520 nan 8.210 nan 0.000 0.445 518 F N -0.527 119.287 119.950 -0.227 0.000 2.679 518 F HA 0.701 5.233 4.527 0.008 0.000 0.341 518 F C 0.598 176.311 175.800 -0.144 0.000 1.095 518 F CA -0.887 56.999 58.000 -0.191 0.000 1.004 518 F CB 0.437 39.330 39.000 -0.179 0.000 1.388 518 F HN -0.297 nan 8.300 nan 0.000 0.505 519 G N -0.769 108.105 108.800 0.123 0.000 2.511 519 G HA2 0.356 4.321 3.960 0.009 0.000 0.318 519 G HA3 0.356 4.321 3.960 0.009 0.000 0.318 519 G C 0.313 175.224 174.900 0.018 0.000 1.210 519 G CA -0.456 44.663 45.100 0.033 0.000 0.969 519 G HN 0.715 nan 8.290 nan 0.000 0.484 520 E N -0.069 120.129 120.200 -0.004 0.000 2.136 520 E HA -0.273 4.083 4.350 0.009 0.000 0.208 520 E C 2.118 178.705 176.600 -0.022 0.000 1.035 520 E CA 2.370 58.764 56.400 -0.010 0.000 0.838 520 E CB -0.229 29.478 29.700 0.012 0.000 0.748 520 E HN 0.487 nan 8.360 nan 0.000 0.459 521 T N 1.055 115.597 114.554 -0.018 0.000 2.580 521 T HA -0.261 4.094 4.350 0.009 0.000 0.265 521 T C 1.822 176.460 174.700 -0.104 0.000 1.063 521 T CA 2.143 64.203 62.100 -0.066 0.000 1.170 521 T CB -0.433 68.410 68.868 -0.042 0.000 0.863 521 T HN 0.265 nan 8.240 nan 0.000 0.418 522 M N 0.843 120.381 119.600 -0.103 0.000 2.108 522 M HA -0.141 4.345 4.480 0.009 0.000 0.257 522 M C 2.091 178.262 176.300 -0.215 0.000 1.071 522 M CA 1.550 56.730 55.300 -0.199 0.000 1.093 522 M CB -0.598 31.795 32.600 -0.346 0.000 1.345 522 M HN 0.099 nan 8.290 nan 0.000 0.403 523 V N 0.103 119.941 119.914 -0.128 0.000 2.283 523 V HA -0.204 3.921 4.120 0.009 0.000 0.243 523 V C 2.384 178.452 176.094 -0.044 0.000 1.039 523 V CA 1.860 64.132 62.300 -0.048 0.000 1.016 523 V CB -0.851 31.008 31.823 0.059 0.000 0.650 523 V HN 0.428 nan 8.190 nan 0.000 0.449 524 E N 0.216 120.383 120.200 -0.056 0.000 2.160 524 E HA -0.147 4.208 4.350 0.009 0.000 0.195 524 E C 2.101 178.566 176.600 -0.224 0.000 0.991 524 E CA 1.127 57.487 56.400 -0.066 0.000 0.810 524 E CB -0.214 29.469 29.700 -0.027 0.000 0.742 524 E HN 0.495 nan 8.360 nan 0.000 0.466 525 L N -1.065 119.911 121.223 -0.412 0.000 2.249 525 L HA 0.127 4.472 4.340 0.009 0.000 0.207 525 L C 2.263 178.781 176.870 -0.588 0.000 1.090 525 L CA 1.099 55.373 54.840 -0.943 0.000 0.802 525 L CB -0.622 40.971 42.059 -0.775 0.000 0.947 525 L HN 0.126 nan 8.230 nan 0.000 0.453 526 G N -0.179 108.538 108.800 -0.138 0.000 2.459 526 G HA2 -0.036 3.930 3.960 0.009 0.000 0.213 526 G HA3 -0.036 3.930 3.960 0.009 0.000 0.213 526 G C 1.803 176.769 174.900 0.109 0.000 1.155 526 G CA 0.655 45.878 45.100 0.204 0.000 0.811 526 G HN 0.343 nan 8.290 nan 0.000 0.534 527 A N 1.734 124.582 122.820 0.047 0.000 1.948 527 A HA -0.009 4.316 4.320 0.009 0.000 0.220 527 A C 0.633 178.222 177.584 0.009 0.000 1.177 527 A CA 2.121 54.206 52.037 0.079 0.000 0.636 527 A CB -1.162 17.888 19.000 0.084 0.000 0.815 527 A HN 0.383 nan 8.150 nan 0.000 0.449 528 P HA -0.093 nan 4.420 nan 0.000 0.212 528 P C 1.098 178.311 177.300 -0.145 0.000 1.180 528 P CA 0.956 63.979 63.100 -0.130 0.000 0.906 528 P CB -0.231 31.369 31.700 -0.167 0.000 0.782 529 F N -0.205 119.556 119.950 -0.315 0.000 2.115 529 F HA -0.199 4.333 4.527 0.009 0.000 0.300 529 F C 2.714 178.098 175.800 -0.693 0.000 1.092 529 F CA 1.605 59.179 58.000 -0.711 0.000 1.245 529 F CB -1.748 36.276 39.000 -1.627 0.000 0.995 529 F HN -0.059 nan 8.300 nan 0.000 0.481 530 S N -0.186 115.386 115.700 -0.214 0.000 2.368 530 S HA -0.094 4.381 4.470 0.009 0.000 0.224 530 S C 2.093 176.783 174.600 0.150 0.000 1.029 530 S CA 0.949 59.281 58.200 0.219 0.000 0.988 530 S CB -0.361 63.158 63.200 0.532 0.000 0.838 530 S HN 0.301 nan 8.310 nan 0.000 0.462 531 L N 0.594 121.875 121.223 0.097 0.000 2.240 531 L HA 0.076 4.421 4.340 0.009 0.000 0.211 531 L C 2.712 179.642 176.870 0.100 0.000 1.106 531 L CA 0.770 55.667 54.840 0.096 0.000 0.793 531 L CB -0.320 41.792 42.059 0.087 0.000 0.927 531 L HN 0.158 nan 8.230 nan 0.000 0.446 532 K N 0.612 121.052 120.400 0.068 0.000 2.103 532 K HA -0.048 4.277 4.320 0.009 0.000 0.204 532 K C 1.936 178.556 176.600 0.035 0.000 1.052 532 K CA 1.338 57.671 56.287 0.077 0.000 0.945 532 K CB -0.261 32.236 32.500 -0.004 0.000 0.722 532 K HN 0.323 nan 8.250 nan 0.000 0.443 533 G N 0.435 109.214 108.800 -0.035 0.000 2.572 533 G HA2 -0.122 3.843 3.960 0.009 0.000 0.216 533 G HA3 -0.122 3.843 3.960 0.009 0.000 0.216 533 G C 1.385 176.247 174.900 -0.063 0.000 1.133 533 G CA 0.108 45.142 45.100 -0.110 0.000 0.791 533 G HN 0.136 nan 8.290 nan 0.000 0.538 534 L N -0.065 121.168 121.223 0.016 0.000 2.200 534 L HA 0.318 4.663 4.340 0.009 0.000 0.200 534 L C 2.556 179.457 176.870 0.053 0.000 1.072 534 L CA 1.031 55.887 54.840 0.027 0.000 0.787 534 L CB -0.201 41.883 42.059 0.042 0.000 0.957 534 L HN 0.068 nan 8.230 nan 0.000 0.459 535 M N -1.231 118.427 119.600 0.097 0.000 2.476 535 M HA 0.212 4.698 4.480 0.009 0.000 0.262 535 M C 1.399 177.846 176.300 0.246 0.000 1.111 535 M CA 0.511 55.866 55.300 0.092 0.000 1.127 535 M CB -1.317 31.222 32.600 -0.102 0.000 1.376 535 M HN 0.246 nan 8.290 nan 0.000 0.465 536 G N 1.839 110.825 108.800 0.309 0.000 3.574 536 G HA2 0.028 3.993 3.960 0.009 0.000 0.262 536 G HA3 0.028 3.993 3.960 0.009 0.000 0.262 536 G C -0.009 175.010 174.900 0.197 0.000 1.231 536 G CA -0.215 45.028 45.100 0.238 0.000 1.608 536 G HN 0.309 nan 8.290 nan 0.000 0.628 537 N N 0.523 119.390 118.700 0.279 0.000 2.314 537 N HA 0.302 5.047 4.740 0.009 0.000 0.304 537 N C -1.515 174.137 175.510 0.235 0.000 1.073 537 N CA -1.915 51.251 53.050 0.194 0.000 0.822 537 N CB 3.327 41.899 38.487 0.142 0.000 1.280 537 N HN -0.132 nan 8.380 nan 0.000 0.489 538 P HA -0.176 nan 4.420 nan 0.000 0.216 538 P C 1.503 178.660 177.300 -0.238 0.000 1.153 538 P CA 1.476 64.434 63.100 -0.235 0.000 0.858 538 P CB -0.081 31.275 31.700 -0.575 0.000 0.789 539 I N -2.842 117.712 120.570 -0.026 0.000 2.800 539 I HA -0.138 4.037 4.170 0.009 0.000 0.266 539 I C 1.819 178.297 176.117 0.603 0.000 1.249 539 I CA 1.415 62.950 61.300 0.391 0.000 1.458 539 I CB -1.433 36.952 38.000 0.642 0.000 1.093 539 I HN -0.127 nan 8.210 nan 0.000 0.466 540 C N 0.841 120.398 119.300 0.428 0.000 2.634 540 C HA 0.210 4.675 4.460 0.009 0.000 0.268 540 C C 1.781 177.015 174.990 0.407 0.000 1.322 540 C CA 0.239 59.503 59.018 0.410 0.000 1.737 540 C CB -1.396 26.615 27.740 0.451 0.000 1.976 540 C HN 0.710 nan 8.230 nan 0.000 0.547 541 S N 2.237 117.961 115.700 0.039 0.000 2.573 541 S HA 0.119 4.594 4.470 0.009 0.000 0.277 541 S C -1.694 172.907 174.600 0.001 0.000 1.346 541 S CA -0.460 57.444 58.200 -0.494 0.000 1.034 541 S CB 0.422 63.350 63.200 -0.453 0.000 0.879 541 S HN 0.128 nan 8.310 nan 0.000 0.528 542 P HA -0.152 nan 4.420 nan 0.000 0.216 542 P C 1.242 178.482 177.300 -0.100 0.000 1.150 542 P CA 1.351 64.224 63.100 -0.379 0.000 0.843 542 P CB -0.062 31.231 31.700 -0.679 0.000 0.787 543 Q N -1.919 117.842 119.800 -0.064 0.000 2.124 543 Q HA -0.176 4.169 4.340 0.009 0.000 0.202 543 Q C 1.829 177.775 176.000 -0.090 0.000 0.977 543 Q CA 1.599 57.357 55.803 -0.076 0.000 0.850 543 Q CB -1.229 27.466 28.738 -0.073 0.000 0.901 543 Q HN 0.387 nan 8.270 nan 0.000 0.429 544 Y N -1.203 119.096 120.300 -0.003 0.000 2.314 544 Y HA -0.024 4.532 4.550 0.009 0.000 0.294 544 Y C 0.752 176.735 175.900 0.138 0.000 1.119 544 Y CA 0.043 58.163 58.100 0.033 0.000 1.179 544 Y CB 0.069 38.601 38.460 0.119 0.000 1.025 544 Y HN 0.244 nan 8.280 nan 0.000 0.541 545 W N 4.995 126.451 121.300 0.260 0.000 1.564 545 W HA 0.177 4.843 4.660 0.009 0.000 0.480 545 W C -0.538 176.081 176.519 0.167 0.000 0.699 545 W CA 0.160 57.729 57.345 0.373 0.000 1.985 545 W CB -0.635 29.155 29.460 0.549 0.000 1.738 545 W HN 0.073 nan 8.180 nan 0.000 0.218 546 K N 2.784 122.981 120.400 -0.339 0.000 2.546 546 K HA 0.359 4.684 4.320 0.009 0.000 0.264 546 K C -2.621 173.458 176.600 -0.868 0.000 0.937 546 K CA -1.570 54.363 56.287 -0.590 0.000 0.833 546 K CB 1.692 34.019 32.500 -0.288 0.000 1.378 546 K HN -0.243 nan 8.250 nan 0.000 0.432 547 P HA -0.377 nan 4.420 nan 0.000 0.221 547 P C 1.353 178.471 177.300 -0.304 0.000 1.160 547 P CA 2.727 65.413 63.100 -0.690 0.000 0.933 547 P CB -0.004 31.496 31.700 -0.333 0.000 0.793 548 S N -2.260 113.293 115.700 -0.245 0.000 2.419 548 S HA -0.164 4.311 4.470 0.009 0.000 0.235 548 S C 1.821 176.295 174.600 -0.210 0.000 1.019 548 S CA 1.970 60.086 58.200 -0.140 0.000 0.982 548 S CB -1.992 61.139 63.200 -0.114 0.000 0.789 548 S HN 0.157 nan 8.310 nan 0.000 0.490 549 T N 1.355 115.645 114.554 -0.441 0.000 2.849 549 T HA 0.021 4.376 4.350 0.009 0.000 0.270 549 T C 0.531 174.813 174.700 -0.697 0.000 1.066 549 T CA 1.209 62.908 62.100 -0.667 0.000 1.130 549 T CB -0.451 67.814 68.868 -1.005 0.000 0.864 549 T HN 0.594 nan 8.240 nan 0.000 0.481 550 F N -0.108 119.851 119.950 0.016 0.000 2.654 550 F HA 0.505 5.038 4.527 0.009 0.000 0.303 550 F C 1.718 177.647 175.800 0.216 0.000 1.099 550 F CA -0.506 57.569 58.000 0.125 0.000 1.270 550 F CB 0.083 39.181 39.000 0.162 0.000 1.024 550 F HN 0.200 nan 8.300 nan 0.000 0.548 551 G N -0.293 108.716 108.800 0.349 0.000 2.176 551 G HA2 0.187 4.153 3.960 0.009 0.000 0.232 551 G HA3 0.187 4.153 3.960 0.009 0.000 0.232 551 G C 0.509 175.600 174.900 0.319 0.000 0.986 551 G CA -0.159 45.221 45.100 0.466 0.000 0.643 551 G HN 1.134 nan 8.290 nan 0.000 0.522 552 G N -1.153 107.772 108.800 0.208 0.000 2.359 552 G HA2 0.436 4.401 3.960 0.009 0.000 0.303 552 G HA3 0.436 4.401 3.960 0.009 0.000 0.303 552 G C -0.075 174.902 174.900 0.128 0.000 1.293 552 G CA 0.512 45.690 45.100 0.129 0.000 0.964 552 G HN 0.738 nan 8.290 nan 0.000 0.531 553 E N -0.965 119.293 120.200 0.097 0.000 2.347 553 E HA 0.062 4.417 4.350 0.009 0.000 0.196 553 E C 2.392 179.085 176.600 0.155 0.000 1.008 553 E CA 1.642 58.131 56.400 0.148 0.000 0.852 553 E CB 0.264 30.024 29.700 0.100 0.000 0.783 553 E HN 0.813 nan 8.360 nan 0.000 0.505 554 V N -0.597 119.379 119.914 0.104 0.000 2.255 554 V HA -0.084 4.041 4.120 0.009 0.000 0.243 554 V C 2.014 178.181 176.094 0.122 0.000 1.038 554 V CA 2.311 64.658 62.300 0.078 0.000 1.008 554 V CB -0.743 31.094 31.823 0.023 0.000 0.645 554 V HN 0.387 nan 8.190 nan 0.000 0.449 555 G N -1.101 107.800 108.800 0.168 0.000 2.440 555 G HA2 -0.322 3.643 3.960 0.009 0.000 0.218 555 G HA3 -0.322 3.643 3.960 0.009 0.000 0.218 555 G C 1.583 176.628 174.900 0.243 0.000 1.154 555 G CA 1.154 46.384 45.100 0.217 0.000 0.767 555 G HN 0.521 nan 8.290 nan 0.000 0.552 556 F N 1.577 121.571 119.950 0.074 0.000 2.126 556 F HA -0.003 4.530 4.527 0.009 0.000 0.299 556 F C 2.467 178.224 175.800 -0.073 0.000 1.096 556 F CA 1.331 59.306 58.000 -0.041 0.000 1.255 556 F CB -0.180 38.808 39.000 -0.020 0.000 0.997 556 F HN -0.011 nan 8.300 nan 0.000 0.479 557 K N 0.695 121.135 120.400 0.068 0.000 2.097 557 K HA -0.052 4.274 4.320 0.009 0.000 0.205 557 K C 2.165 178.747 176.600 -0.029 0.000 1.050 557 K CA 1.242 57.501 56.287 -0.046 0.000 0.938 557 K CB -0.818 31.687 32.500 0.008 0.000 0.718 557 K HN 0.317 nan 8.250 nan 0.000 0.442 558 I N 0.353 120.937 120.570 0.022 0.000 2.300 558 I HA -0.336 3.839 4.170 0.009 0.000 0.252 558 I C 1.957 178.093 176.117 0.033 0.000 1.119 558 I CA 1.309 62.631 61.300 0.036 0.000 1.384 558 I CB -0.350 37.690 38.000 0.065 0.000 1.062 558 I HN 0.108 nan 8.210 nan 0.000 0.426 559 I N 0.434 120.998 120.570 -0.010 0.000 2.270 559 I HA -0.195 3.980 4.170 0.009 0.000 0.239 559 I C 1.739 177.887 176.117 0.052 0.000 1.080 559 I CA 1.027 62.341 61.300 0.024 0.000 1.383 559 I CB -0.453 37.509 38.000 -0.064 0.000 1.097 559 I HN 0.219 nan 8.210 nan 0.000 0.420 560 N N 0.993 119.642 118.700 -0.086 0.000 2.626 560 N HA -0.073 4.673 4.740 0.009 0.000 0.193 560 N C 0.699 176.200 175.510 -0.015 0.000 1.213 560 N CA 1.281 54.288 53.050 -0.073 0.000 0.914 560 N CB -0.091 38.224 38.487 -0.286 0.000 0.994 560 N HN 0.504 nan 8.380 nan 0.000 0.447 561 T N -3.999 110.561 114.554 0.010 0.000 3.475 561 T HA 0.448 4.803 4.350 0.009 0.000 0.310 561 T C 0.268 174.987 174.700 0.030 0.000 0.963 561 T CA -0.616 61.493 62.100 0.016 0.000 0.985 561 T CB 0.107 68.975 68.868 0.001 0.000 1.198 561 T HN 0.088 nan 8.240 nan 0.000 0.508 562 A N 1.767 124.622 122.820 0.059 0.000 2.366 562 A HA 0.806 5.132 4.320 0.009 0.000 0.249 562 A C 0.568 178.180 177.584 0.047 0.000 1.084 562 A CA -0.023 52.054 52.037 0.067 0.000 0.794 562 A CB 0.231 19.305 19.000 0.122 0.000 1.034 562 A HN 1.466 nan 8.150 nan 0.000 0.491 563 S N 0.259 115.972 115.700 0.022 0.000 2.565 563 S HA 0.333 4.808 4.470 0.009 0.000 0.274 563 S C 0.177 174.743 174.600 -0.057 0.000 1.144 563 S CA -0.062 58.127 58.200 -0.018 0.000 0.849 563 S CB 0.288 63.459 63.200 -0.047 0.000 1.103 563 S HN 1.265 nan 8.310 nan 0.000 0.455 564 I N 1.470 121.969 120.570 -0.118 0.000 2.361 564 I HA -0.062 4.114 4.170 0.009 0.000 0.251 564 I C 2.405 178.393 176.117 -0.215 0.000 1.133 564 I CA 1.980 63.177 61.300 -0.171 0.000 1.413 564 I CB -0.452 37.242 38.000 -0.510 0.000 1.073 564 I HN 0.918 nan 8.210 nan 0.000 0.424 565 Q N 0.194 119.849 119.800 -0.242 0.000 2.046 565 Q HA -0.138 4.207 4.340 0.009 0.000 0.200 565 Q C 2.259 178.174 176.000 -0.141 0.000 0.975 565 Q CA 2.420 58.088 55.803 -0.225 0.000 0.836 565 Q CB -0.377 28.238 28.738 -0.205 0.000 0.896 565 Q HN 0.544 nan 8.270 nan 0.000 0.428 566 S N 0.209 115.847 115.700 -0.103 0.000 2.387 566 S HA -0.089 4.386 4.470 0.009 0.000 0.226 566 S C 1.677 176.216 174.600 -0.102 0.000 1.026 566 S CA 0.863 59.017 58.200 -0.077 0.000 0.972 566 S CB -0.396 62.775 63.200 -0.048 0.000 0.814 566 S HN 0.387 nan 8.310 nan 0.000 0.477 567 L N 1.307 122.454 121.223 -0.127 0.000 2.043 567 L HA -0.080 4.266 4.340 0.009 0.000 0.212 567 L C 1.799 178.551 176.870 -0.197 0.000 1.075 567 L CA 1.643 56.362 54.840 -0.203 0.000 0.752 567 L CB -0.462 41.449 42.059 -0.247 0.000 0.891 567 L HN 0.178 nan 8.230 nan 0.000 0.432 568 I N -1.993 118.485 120.570 -0.153 0.000 2.339 568 I HA -0.189 3.987 4.170 0.009 0.000 0.245 568 I C 2.609 178.658 176.117 -0.114 0.000 1.096 568 I CA 1.047 62.263 61.300 -0.140 0.000 1.408 568 I CB -0.778 37.144 38.000 -0.130 0.000 1.092 568 I HN 0.360 nan 8.210 nan 0.000 0.423 569 c N 1.345 119.888 118.600 -0.096 0.000 2.398 569 c HA -0.203 4.372 4.570 0.009 0.000 0.276 569 c C 2.513 176.564 174.090 -0.065 0.000 1.222 569 c CA 1.409 57.699 56.329 -0.065 0.000 1.746 569 c CB -1.238 41.242 42.510 -0.050 0.000 2.039 569 c HN 0.527 nan 8.230 nan 0.000 0.470 570 N N 0.706 119.361 118.700 -0.076 0.000 2.461 570 N HA 0.019 4.764 4.740 0.009 0.000 0.188 570 N C 0.670 176.126 175.510 -0.089 0.000 1.134 570 N CA 0.616 53.624 53.050 -0.071 0.000 0.878 570 N CB -0.336 38.114 38.487 -0.062 0.000 0.972 570 N HN 0.670 nan 8.380 nan 0.000 0.456 571 N N -0.293 118.339 118.700 -0.113 0.000 2.118 571 N HA 0.101 4.846 4.740 0.009 0.000 0.226 571 N C -0.530 174.892 175.510 -0.147 0.000 1.305 571 N CA 0.114 53.082 53.050 -0.136 0.000 0.890 571 N CB 1.982 40.369 38.487 -0.166 0.000 1.118 571 N HN -0.107 nan 8.380 nan 0.000 0.511 572 V N 1.080 120.921 119.914 -0.121 0.000 2.667 572 V HA 0.246 4.371 4.120 0.009 0.000 0.308 572 V C 1.520 177.567 176.094 -0.079 0.000 1.048 572 V CA -0.720 61.513 62.300 -0.111 0.000 0.928 572 V CB 2.494 34.258 31.823 -0.098 0.000 1.004 572 V HN -0.160 nan 8.190 nan 0.000 0.444 573 K N 2.750 123.109 120.400 -0.068 0.000 2.049 573 K HA -0.164 4.161 4.320 0.009 0.000 0.219 573 K C 0.886 177.468 176.600 -0.029 0.000 1.056 573 K CA 2.129 58.389 56.287 -0.044 0.000 0.946 573 K CB -0.746 31.738 32.500 -0.027 0.000 0.723 573 K HN 0.980 nan 8.250 nan 0.000 0.453 574 G N -2.524 106.265 108.800 -0.018 0.000 2.820 574 G HA2 0.299 4.264 3.960 0.009 0.000 0.291 574 G HA3 0.299 4.264 3.960 0.009 0.000 0.291 574 G C -0.953 173.941 174.900 -0.010 0.000 1.323 574 G CA -0.491 44.604 45.100 -0.008 0.000 1.055 574 G HN 0.308 nan 8.290 nan 0.000 0.520 575 c N 1.984 120.585 118.600 0.002 0.000 2.700 575 c HA 0.325 4.901 4.570 0.009 0.000 0.529 575 c C -2.004 172.105 174.090 0.031 0.000 1.093 575 c CA -1.363 54.968 56.329 0.004 0.000 1.320 575 c CB -1.337 41.180 42.510 0.012 0.000 1.478 575 c HN 0.350 nan 8.230 nan 0.000 0.598 576 P HA -0.060 nan 4.420 nan 0.000 0.258 576 P C -0.017 177.326 177.300 0.073 0.000 1.187 576 P CA 0.149 63.282 63.100 0.054 0.000 0.767 576 P CB 0.046 31.760 31.700 0.024 0.000 0.770 577 F N 4.832 124.768 119.950 -0.024 0.000 2.602 577 F HA 0.225 4.757 4.527 0.009 0.000 0.367 577 F C 0.396 176.179 175.800 -0.029 0.000 1.126 577 F CA 0.945 58.926 58.000 -0.031 0.000 1.321 577 F CB 0.389 39.373 39.000 -0.025 0.000 1.094 577 F HN 0.386 nan 8.300 nan 0.000 0.594 578 T N 1.964 115.901 114.554 -1.028 0.000 2.681 578 T HA 0.708 5.063 4.350 0.009 0.000 0.296 578 T C -0.719 173.356 174.700 -1.041 0.000 1.157 578 T CA -0.588 61.055 62.100 -0.762 0.000 1.025 578 T CB 1.389 70.032 68.868 -0.374 0.000 1.441 578 T HN 0.892 nan 8.240 nan 0.000 0.504 579 S N -1.507 113.836 115.700 -0.594 0.000 2.688 579 S HA 0.430 4.905 4.470 0.009 0.000 0.266 579 S C -1.582 172.806 174.600 -0.354 0.000 1.061 579 S CA -0.704 57.165 58.200 -0.551 0.000 0.844 579 S CB 0.157 63.153 63.200 -0.341 0.000 1.103 579 S HN 0.535 nan 8.310 nan 0.000 0.471 580 F N 2.118 121.983 119.950 -0.141 0.000 2.692 580 F HA 0.480 5.012 4.527 0.009 0.000 0.303 580 F C 0.892 176.501 175.800 -0.319 0.000 1.114 580 F CA -0.398 57.489 58.000 -0.189 0.000 1.361 580 F CB -0.205 38.627 39.000 -0.280 0.000 1.063 580 F HN 0.419 nan 8.300 nan 0.000 0.550 581 N N -0.204 118.491 118.700 -0.008 0.000 2.314 581 N HA 0.166 4.912 4.740 0.009 0.000 0.294 581 N C -0.672 174.884 175.510 0.077 0.000 1.029 581 N CA -0.331 52.754 53.050 0.060 0.000 0.845 581 N CB 2.146 40.709 38.487 0.126 0.000 1.321 581 N HN -0.155 nan 8.380 nan 0.000 0.481 582 V N 5.615 125.572 119.914 0.071 0.000 1.984 582 V HA 0.124 4.249 4.120 0.009 0.000 0.272 582 V C -0.252 175.886 176.094 0.073 0.000 1.706 582 V CA 0.005 62.351 62.300 0.076 0.000 1.644 582 V CB -1.733 30.124 31.823 0.056 0.000 1.509 582 V HN 0.846 nan 8.190 nan 0.000 0.511 583 Q N 0.000 119.860 119.800 0.100 0.000 2.315 583 Q HA 0.000 4.345 4.340 0.009 0.000 0.214 583 Q CA 0.000 55.854 55.803 0.086 0.000 1.022 583 Q CB 0.000 28.780 28.738 0.070 0.000 1.108 583 Q HN 0.000 nan 8.270 nan 0.000 0.481