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 1ddx_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 TIWLREHNRV CDILKQEHPE WGDEQLFQTS DATA SEQUENCE RLILIGETIK 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 0.000 177.632 177.584 0.080 0.000 1.274 33 A CA 0.000 52.078 52.037 0.069 0.000 0.836 33 A CB 0.000 19.057 19.000 0.096 0.000 0.831 34 N N 2.550 121.286 118.700 0.061 0.000 2.429 34 N HA 0.122 4.864 4.740 0.004 0.000 0.271 34 N C -1.433 174.092 175.510 0.024 0.000 1.272 34 N CA -1.010 52.072 53.050 0.053 0.000 0.921 34 N CB 1.082 39.590 38.487 0.034 0.000 1.128 34 N HN 0.226 nan 8.380 nan 0.000 0.481 35 P HA -0.071 nan 4.420 nan 0.000 0.229 35 P C 0.690 177.915 177.300 -0.126 0.000 1.150 35 P CA 0.709 63.812 63.100 0.005 0.000 0.765 35 P CB 0.150 31.921 31.700 0.118 0.000 0.783 36 c N -1.923 116.636 118.600 -0.069 0.000 2.674 36 c HA 0.067 4.640 4.570 0.004 0.000 0.276 36 c C 2.856 176.869 174.090 -0.128 0.000 1.300 36 c CA -0.117 56.140 56.329 -0.120 0.000 1.732 36 c CB -1.712 40.794 42.510 -0.007 0.000 2.076 36 c HN 0.325 nan 8.230 nan 0.000 0.548 37 c N 1.918 120.468 118.600 -0.083 0.000 2.366 37 c HA -0.213 4.359 4.570 0.004 0.000 0.271 37 c C 2.756 176.793 174.090 -0.089 0.000 1.152 37 c CA 2.370 58.658 56.329 -0.068 0.000 1.809 37 c CB -1.488 40.997 42.510 -0.042 0.000 2.107 37 c HN 0.797 nan 8.230 nan 0.000 0.455 38 S N 0.321 115.947 115.700 -0.124 0.000 2.723 38 S HA -0.050 4.422 4.470 0.004 0.000 0.231 38 S C 0.449 174.971 174.600 -0.129 0.000 0.967 38 S CA 0.646 58.773 58.200 -0.122 0.000 0.958 38 S CB -1.088 62.023 63.200 -0.147 0.000 0.778 38 S HN 0.777 nan 8.310 nan 0.000 0.537 39 N N 1.469 120.091 118.700 -0.130 0.000 2.708 39 N HA -0.126 4.616 4.740 0.004 0.000 0.251 39 N C -1.815 173.628 175.510 -0.111 0.000 1.017 39 N CA 0.718 53.699 53.050 -0.116 0.000 0.742 39 N CB -1.017 37.407 38.487 -0.105 0.000 0.943 39 N HN 0.497 nan 8.380 nan 0.000 0.539 40 P HA -0.112 nan 4.420 nan 0.000 0.215 40 P C 0.516 177.823 177.300 0.010 0.000 1.157 40 P CA 1.010 64.045 63.100 -0.108 0.000 0.868 40 P CB -0.095 31.415 31.700 -0.317 0.000 0.788 41 c N 2.752 121.388 118.600 0.059 0.000 2.638 41 c HA 0.170 4.742 4.570 0.004 0.000 0.410 41 c C 0.964 175.047 174.090 -0.013 0.000 1.404 41 c CA -0.430 55.941 56.329 0.070 0.000 1.651 41 c CB -1.215 41.356 42.510 0.102 0.000 2.495 41 c HN 0.298 nan 8.230 nan 0.000 0.606 42 Q N 1.906 121.677 119.800 -0.049 0.000 2.195 42 Q HA 0.312 4.655 4.340 0.004 0.000 0.250 42 Q C 0.234 176.133 176.000 -0.168 0.000 0.988 42 Q CA -0.460 55.264 55.803 -0.130 0.000 0.911 42 Q CB 0.486 29.107 28.738 -0.195 0.000 1.258 42 Q HN 0.792 nan 8.270 nan 0.000 0.475 43 N N 1.730 120.295 118.700 -0.225 0.000 2.696 43 N HA -0.220 4.522 4.740 0.004 0.000 0.256 43 N C -0.526 174.970 175.510 -0.023 0.000 1.031 43 N CA 0.466 53.404 53.050 -0.186 0.000 0.730 43 N CB -0.394 37.815 38.487 -0.463 0.000 0.894 43 N HN 0.631 nan 8.380 nan 0.000 0.544 44 R N -3.789 116.694 120.500 -0.029 0.000 4.016 44 R HA -0.163 4.180 4.340 0.004 0.000 0.385 44 R C 1.049 177.374 176.300 0.041 0.000 1.158 44 R CA 1.340 57.443 56.100 0.005 0.000 1.117 44 R CB -2.312 28.002 30.300 0.022 0.000 1.635 44 R HN 0.597 nan 8.270 nan 0.000 0.560 45 G N 0.770 109.590 108.800 0.034 0.000 2.664 45 G HA2 0.202 4.164 3.960 0.004 0.000 0.242 45 G HA3 0.202 4.164 3.960 0.004 0.000 0.242 45 G C -0.396 174.546 174.900 0.070 0.000 1.225 45 G CA -0.246 44.893 45.100 0.064 0.000 0.849 45 G HN 0.201 nan 8.290 nan 0.000 0.581 46 E N -0.956 119.299 120.200 0.092 0.000 2.176 46 E HA 0.359 4.712 4.350 0.004 0.000 0.267 46 E C -0.734 175.937 176.600 0.120 0.000 0.893 46 E CA -0.649 55.817 56.400 0.111 0.000 0.761 46 E CB 1.525 31.306 29.700 0.134 0.000 1.133 46 E HN 0.494 nan 8.360 nan 0.000 0.409 47 c N 5.455 124.130 118.600 0.124 0.000 2.388 47 c HA 0.710 5.282 4.570 0.004 0.000 0.362 47 c C -0.414 173.774 174.090 0.164 0.000 1.266 47 c CA -0.447 55.986 56.329 0.174 0.000 2.028 47 c CB -0.700 41.902 42.510 0.153 0.000 2.440 47 c HN 0.880 nan 8.230 nan 0.000 0.547 48 M N 5.502 125.206 119.600 0.174 0.000 2.326 48 M HA 0.438 4.920 4.480 0.004 0.000 0.292 48 M C -0.121 176.262 176.300 0.139 0.000 1.081 48 M CA -0.052 55.330 55.300 0.137 0.000 0.919 48 M CB 1.928 34.584 32.600 0.094 0.000 1.634 48 M HN 0.625 nan 8.290 nan 0.000 0.451 49 S N 2.288 118.060 115.700 0.120 0.000 2.519 49 S HA 0.143 4.616 4.470 0.004 0.000 0.320 49 S C 0.716 175.345 174.600 0.048 0.000 1.179 49 S CA -0.094 58.165 58.200 0.100 0.000 1.173 49 S CB -0.961 62.277 63.200 0.064 0.000 1.224 49 S HN 0.777 nan 8.310 nan 0.000 0.542 50 T N 0.220 114.805 114.554 0.052 0.000 3.467 50 T HA 0.547 4.899 4.350 0.004 0.000 0.232 50 T C 0.760 175.465 174.700 0.007 0.000 0.876 50 T CA -0.051 62.055 62.100 0.012 0.000 0.939 50 T CB -1.074 67.788 68.868 -0.009 0.000 1.165 50 T HN 1.359 nan 8.240 nan 0.000 0.615 51 G N 0.120 108.908 108.800 -0.021 0.000 2.362 51 G HA2 0.095 4.057 3.960 0.004 0.000 0.656 51 G HA3 0.095 4.057 3.960 0.004 0.000 0.656 51 G C -0.158 174.735 174.900 -0.011 0.000 1.376 51 G CA -0.714 44.363 45.100 -0.037 0.000 0.971 51 G HN 0.114 nan 8.290 nan 0.000 0.636 52 F N 0.080 120.062 119.950 0.053 0.000 2.063 52 F HA -0.053 4.476 4.527 0.003 0.000 0.298 52 F C 1.927 177.760 175.800 0.056 0.000 1.109 52 F CA 2.167 60.198 58.000 0.051 0.000 1.212 52 F CB 0.258 39.282 39.000 0.041 0.000 0.973 52 F HN 0.328 nan 8.300 nan 0.000 0.480 53 D N 0.014 120.568 120.400 0.257 0.000 2.891 53 D HA 0.142 4.784 4.640 0.004 0.000 0.312 53 D C -0.446 175.950 176.300 0.159 0.000 1.354 53 D CA 0.175 54.279 54.000 0.174 0.000 0.838 53 D CB 0.195 41.077 40.800 0.137 0.000 1.117 53 D HN 0.365 nan 8.370 nan 0.000 0.473 54 Q N 0.150 120.053 119.800 0.172 0.000 2.462 54 Q HA 0.469 4.812 4.340 0.004 0.000 0.285 54 Q C -0.979 175.172 176.000 0.252 0.000 1.035 54 Q CA -1.105 54.817 55.803 0.199 0.000 0.799 54 Q CB 2.282 31.088 28.738 0.113 0.000 1.452 54 Q HN 0.205 nan 8.270 nan 0.000 0.404 55 Y N -1.029 119.290 120.300 0.032 0.000 2.889 55 Y HA 0.884 5.437 4.550 0.004 0.000 0.317 55 Y C -1.512 174.405 175.900 0.029 0.000 1.414 55 Y CA -1.161 56.957 58.100 0.029 0.000 1.091 55 Y CB 1.969 40.445 38.460 0.028 0.000 1.358 55 Y HN 0.718 nan 8.280 nan 0.000 0.487 56 K N 0.238 120.508 120.400 -0.216 0.000 2.557 56 K HA 0.618 4.940 4.320 0.004 0.000 0.261 56 K C -2.455 174.111 176.600 -0.056 0.000 0.932 56 K CA -0.233 55.883 56.287 -0.284 0.000 0.829 56 K CB 1.931 34.357 32.500 -0.124 0.000 1.358 56 K HN 0.951 nan 8.250 nan 0.000 0.430 57 c N 2.602 121.163 118.600 -0.066 0.000 2.303 57 c HA 0.439 5.011 4.570 0.004 0.000 0.326 57 c C -0.646 173.474 174.090 0.050 0.000 1.285 57 c CA -0.745 55.616 56.329 0.053 0.000 1.675 57 c CB 0.671 43.230 42.510 0.081 0.000 2.289 57 c HN 0.766 nan 8.230 nan 0.000 0.512 58 D N 2.442 122.885 120.400 0.072 0.000 2.563 58 D HA 0.144 4.787 4.640 0.004 0.000 0.222 58 D C -0.167 176.186 176.300 0.087 0.000 1.145 58 D CA -0.075 53.967 54.000 0.070 0.000 1.001 58 D CB 0.423 41.267 40.800 0.072 0.000 1.049 58 D HN 0.680 nan 8.370 nan 0.000 0.515 59 c N 2.880 121.540 118.600 0.100 0.000 3.025 59 c HA 0.203 4.776 4.570 0.004 0.000 0.547 59 c C 0.885 175.051 174.090 0.126 0.000 1.058 59 c CA -0.684 55.727 56.329 0.137 0.000 1.164 59 c CB -1.845 40.773 42.510 0.179 0.000 1.405 59 c HN 0.292 nan 8.230 nan 0.000 0.610 60 T N 1.413 116.028 114.554 0.101 0.000 2.744 60 T HA 0.356 4.709 4.350 0.004 0.000 0.291 60 T C 0.873 175.623 174.700 0.083 0.000 0.957 60 T CA -0.308 61.840 62.100 0.080 0.000 1.002 60 T CB 0.540 69.443 68.868 0.058 0.000 0.919 60 T HN 0.675 nan 8.240 nan 0.000 0.468 61 R N 0.417 120.962 120.500 0.075 0.000 4.000 61 R HA -0.234 4.109 4.340 0.004 0.000 0.362 61 R C 1.758 178.117 176.300 0.098 0.000 1.183 61 R CA 1.327 57.469 56.100 0.070 0.000 1.011 61 R CB -2.160 28.175 30.300 0.059 0.000 1.501 61 R HN 0.895 nan 8.270 nan 0.000 0.553 62 T N -4.970 109.667 114.554 0.138 0.000 2.809 62 T HA 0.169 4.521 4.350 0.004 0.000 0.260 62 T C 1.561 176.390 174.700 0.214 0.000 1.039 62 T CA 1.241 63.477 62.100 0.228 0.000 1.141 62 T CB 0.283 69.330 68.868 0.299 0.000 0.869 62 T HN 0.695 nan 8.240 nan 0.000 0.437 63 G N 0.666 109.506 108.800 0.067 0.000 2.175 63 G HA2 -0.003 3.960 3.960 0.004 0.000 0.182 63 G HA3 -0.003 3.960 3.960 0.004 0.000 0.182 63 G C -0.201 174.309 174.900 -0.650 0.000 1.003 63 G CA -0.361 44.557 45.100 -0.303 0.000 0.666 63 G HN 0.558 nan 8.290 nan 0.000 0.506 64 F N 0.155 120.169 119.950 0.107 0.000 2.591 64 F HA 0.709 5.239 4.527 0.004 0.000 0.309 64 F C 0.571 176.461 175.800 0.151 0.000 1.098 64 F CA -1.477 56.555 58.000 0.053 0.000 0.937 64 F CB 0.884 39.867 39.000 -0.029 0.000 1.250 64 F HN 0.153 nan 8.300 nan 0.000 0.447 65 Y N 0.222 120.637 120.300 0.192 0.000 3.045 65 Y HA 0.893 5.446 4.550 0.005 0.000 0.391 65 Y C 0.958 176.928 175.900 0.117 0.000 1.234 65 Y CA -1.343 56.829 58.100 0.120 0.000 1.281 65 Y CB -0.371 38.133 38.460 0.072 0.000 1.401 65 Y HN 0.895 nan 8.280 nan 0.000 0.837 66 G N 0.346 109.299 108.800 0.256 0.000 2.750 66 G HA2 -0.291 3.671 3.960 0.004 0.000 0.686 66 G HA3 -0.291 3.671 3.960 0.004 0.000 0.686 66 G C 0.304 175.256 174.900 0.088 0.000 1.395 66 G CA 0.198 45.367 45.100 0.114 0.000 0.918 66 G HN 1.054 nan 8.290 nan 0.000 0.594 67 E N 0.446 120.679 120.200 0.055 0.000 2.233 67 E HA -0.219 4.133 4.350 0.004 0.000 0.199 67 E C 1.477 178.101 176.600 0.041 0.000 1.004 67 E CA 1.673 58.081 56.400 0.013 0.000 0.819 67 E CB -0.072 29.627 29.700 -0.002 0.000 0.738 67 E HN 0.468 nan 8.360 nan 0.000 0.478 68 N N -0.726 118.015 118.700 0.068 0.000 2.187 68 N HA 0.080 4.822 4.740 0.004 0.000 0.212 68 N C -0.511 175.020 175.510 0.036 0.000 1.152 68 N CA 0.593 53.693 53.050 0.083 0.000 0.872 68 N CB 0.554 39.085 38.487 0.072 0.000 1.025 68 N HN 0.159 nan 8.380 nan 0.000 0.514 69 c N 0.582 119.214 118.600 0.053 0.000 4.529 69 c HA -0.128 4.444 4.570 0.004 0.000 0.296 69 c C 1.894 175.961 174.090 -0.039 0.000 1.353 69 c CA 0.941 57.314 56.329 0.073 0.000 2.011 69 c CB -2.890 39.652 42.510 0.053 0.000 1.235 69 c HN 0.565 nan 8.230 nan 0.000 0.784 70 T N -3.082 111.456 114.554 -0.027 0.000 3.082 70 T HA 0.085 4.437 4.350 0.004 0.000 0.235 70 T C 0.682 175.423 174.700 0.069 0.000 0.991 70 T CA 1.006 63.055 62.100 -0.085 0.000 1.220 70 T CB -0.414 68.412 68.868 -0.069 0.000 0.909 70 T HN 0.512 nan 8.240 nan 0.000 0.424 71 T N 5.422 119.914 114.554 -0.104 0.000 2.800 71 T HA 0.213 4.565 4.350 0.004 0.000 0.283 71 T C -2.329 172.132 174.700 -0.399 0.000 0.999 71 T CA -0.622 61.262 62.100 -0.360 0.000 1.176 71 T CB 0.233 68.618 68.868 -0.806 0.000 0.973 71 T HN 0.350 nan 8.240 nan 0.000 0.519 72 P HA 0.411 nan 4.420 nan 0.000 0.283 72 P C -0.271 176.966 177.300 -0.105 0.000 1.278 72 P CA -0.788 62.156 63.100 -0.261 0.000 0.834 72 P CB 1.300 32.887 31.700 -0.189 0.000 1.150 73 E N -0.665 119.501 120.200 -0.056 0.000 2.254 73 E HA 0.217 4.569 4.350 0.004 0.000 0.261 73 E C 0.616 177.277 176.600 0.101 0.000 1.051 73 E CA -0.623 55.879 56.400 0.171 0.000 0.902 73 E CB 0.395 30.166 29.700 0.119 0.000 1.168 73 E HN 0.270 nan 8.360 nan 0.000 0.423 74 F N 1.071 121.027 119.950 0.010 0.000 2.000 74 F HA -0.241 4.289 4.527 0.004 0.000 0.296 74 F C 2.068 177.847 175.800 -0.035 0.000 1.159 74 F CA 1.485 59.480 58.000 -0.009 0.000 1.183 74 F CB -0.451 38.550 39.000 0.000 0.000 0.959 74 F HN 0.428 nan 8.300 nan 0.000 0.490 75 L N 0.344 121.621 121.223 0.090 0.000 2.151 75 L HA -0.270 4.072 4.340 0.004 0.000 0.215 75 L C 2.152 178.949 176.870 -0.120 0.000 1.084 75 L CA 2.566 57.388 54.840 -0.029 0.000 0.764 75 L CB -1.519 40.550 42.059 0.015 0.000 0.891 75 L HN 0.341 nan 8.230 nan 0.000 0.435 76 T N 0.156 114.624 114.554 -0.143 0.000 2.622 76 T HA -0.217 4.136 4.350 0.004 0.000 0.266 76 T C 1.843 176.430 174.700 -0.188 0.000 1.047 76 T CA 1.833 63.801 62.100 -0.219 0.000 1.159 76 T CB -0.319 68.303 68.868 -0.411 0.000 0.863 76 T HN 0.458 nan 8.240 nan 0.000 0.422 77 R N 1.213 121.583 120.500 -0.217 0.000 2.103 77 R HA -0.093 4.249 4.340 0.004 0.000 0.234 77 R C 2.461 178.628 176.300 -0.220 0.000 1.132 77 R CA 1.616 57.587 56.100 -0.215 0.000 0.925 77 R CB -1.121 28.991 30.300 -0.314 0.000 0.842 77 R HN 0.367 nan 8.270 nan 0.000 0.430 78 I N 1.514 121.891 120.570 -0.322 0.000 2.399 78 I HA -0.235 3.938 4.170 0.004 0.000 0.254 78 I C 2.102 178.139 176.117 -0.133 0.000 1.146 78 I CA 1.437 62.595 61.300 -0.237 0.000 1.412 78 I CB -1.067 36.787 38.000 -0.244 0.000 1.076 78 I HN 0.221 nan 8.210 nan 0.000 0.432 79 K N 0.798 121.125 120.400 -0.121 0.000 2.103 79 K HA -0.011 4.311 4.320 0.004 0.000 0.204 79 K C 2.262 178.832 176.600 -0.051 0.000 1.052 79 K CA 0.965 57.204 56.287 -0.079 0.000 0.945 79 K CB -0.023 32.427 32.500 -0.082 0.000 0.722 79 K HN 0.336 nan 8.250 nan 0.000 0.443 80 L N 0.723 121.918 121.223 -0.047 0.000 2.131 80 L HA -0.045 4.297 4.340 0.004 0.000 0.206 80 L C 1.477 178.336 176.870 -0.018 0.000 1.087 80 L CA 0.566 55.401 54.840 -0.008 0.000 0.767 80 L CB -0.254 41.816 42.059 0.018 0.000 0.917 80 L HN 0.107 nan 8.230 nan 0.000 0.441 81 L N 0.965 122.160 121.223 -0.048 0.000 2.855 81 L HA 0.076 4.418 4.340 0.004 0.000 0.245 81 L C 0.578 177.423 176.870 -0.041 0.000 1.276 81 L CA 0.308 55.120 54.840 -0.046 0.000 1.118 81 L CB -0.258 41.758 42.059 -0.071 0.000 1.444 81 L HN 0.343 nan 8.230 nan 0.000 0.440 82 L N -0.688 120.518 121.223 -0.030 0.000 4.070 82 L HA 0.159 4.502 4.340 0.004 0.000 0.398 82 L C 0.252 177.117 176.870 -0.008 0.000 1.215 82 L CA 0.033 54.858 54.840 -0.025 0.000 1.332 82 L CB 0.601 42.639 42.059 -0.035 0.000 1.499 82 L HN 0.090 nan 8.230 nan 0.000 0.613 83 K N 3.411 123.814 120.400 0.005 0.000 2.354 83 K HA 0.393 4.715 4.320 0.004 0.000 0.257 83 K C -2.309 174.314 176.600 0.038 0.000 1.062 83 K CA -1.391 54.914 56.287 0.030 0.000 0.971 83 K CB 1.205 33.730 32.500 0.041 0.000 1.305 83 K HN -0.130 nan 8.250 nan 0.000 0.449 84 P HA 0.007 nan 4.420 nan 0.000 0.276 84 P C -0.163 177.179 177.300 0.070 0.000 1.235 84 P CA -0.232 62.895 63.100 0.044 0.000 0.772 84 P CB 0.873 32.594 31.700 0.035 0.000 0.871 85 T N 2.038 116.630 114.554 0.064 0.000 2.946 85 T HA 0.039 4.391 4.350 0.004 0.000 0.312 85 T C -1.201 173.567 174.700 0.114 0.000 1.066 85 T CA -0.927 61.222 62.100 0.081 0.000 1.138 85 T CB -0.103 68.806 68.868 0.069 0.000 1.014 85 T HN 0.282 nan 8.240 nan 0.000 0.544 86 P HA -0.135 nan 4.420 nan 0.000 0.216 86 P C 1.180 178.611 177.300 0.219 0.000 1.150 86 P CA 1.241 64.442 63.100 0.167 0.000 0.843 86 P CB 0.016 31.808 31.700 0.153 0.000 0.787 87 N N -0.681 118.137 118.700 0.195 0.000 2.084 87 N HA -0.095 4.648 4.740 0.004 0.000 0.190 87 N C 1.849 177.492 175.510 0.220 0.000 1.030 87 N CA 1.554 54.732 53.050 0.215 0.000 0.849 87 N CB -1.438 37.137 38.487 0.148 0.000 1.012 87 N HN 0.160 nan 8.380 nan 0.000 0.423 88 T N 1.776 116.421 114.554 0.153 0.000 2.580 88 T HA -0.123 4.229 4.350 0.004 0.000 0.265 88 T C 2.184 177.020 174.700 0.228 0.000 1.063 88 T CA 2.051 64.226 62.100 0.125 0.000 1.170 88 T CB -0.666 68.239 68.868 0.061 0.000 0.863 88 T HN 0.007 nan 8.240 nan 0.000 0.418 89 V N 1.851 121.879 119.914 0.191 0.000 2.220 89 V HA -0.295 3.827 4.120 0.004 0.000 0.250 89 V C 2.368 178.605 176.094 0.239 0.000 1.056 89 V CA 2.420 64.830 62.300 0.184 0.000 1.016 89 V CB -1.237 30.677 31.823 0.152 0.000 0.639 89 V HN 0.550 nan 8.190 nan 0.000 0.446 90 H N -0.190 118.956 119.070 0.127 0.000 2.330 90 H HA -0.307 4.252 4.556 0.004 0.000 0.290 90 H C 2.152 177.596 175.328 0.194 0.000 1.111 90 H CA 2.680 58.801 56.048 0.122 0.000 1.226 90 H CB -0.808 29.088 29.762 0.223 0.000 1.355 90 H HN 0.600 nan 8.280 nan 0.000 0.485 91 Y N 1.526 121.986 120.300 0.266 0.000 2.014 91 Y HA -0.262 4.290 4.550 0.004 0.000 0.270 91 Y C 2.887 179.099 175.900 0.519 0.000 1.145 91 Y CA 2.873 61.155 58.100 0.303 0.000 1.106 91 Y CB -0.596 37.943 38.460 0.131 0.000 0.968 91 Y HN 0.220 nan 8.280 nan 0.000 0.484 92 I N -0.483 120.501 120.570 0.691 0.000 2.300 92 I HA -0.316 3.856 4.170 0.004 0.000 0.252 92 I C 2.108 178.599 176.117 0.624 0.000 1.119 92 I CA 1.211 62.844 61.300 0.555 0.000 1.384 92 I CB -1.309 36.822 38.000 0.218 0.000 1.062 92 I HN 0.349 nan 8.210 nan 0.000 0.426 93 L N 1.410 122.859 121.223 0.376 0.000 2.156 93 L HA -0.085 4.258 4.340 0.004 0.000 0.208 93 L C 2.521 179.460 176.870 0.114 0.000 1.095 93 L CA 2.313 57.179 54.840 0.043 0.000 0.770 93 L CB -1.515 40.013 42.059 -0.885 0.000 0.914 93 L HN 0.479 nan 8.230 nan 0.000 0.439 94 T N -4.907 109.792 114.554 0.241 0.000 3.122 94 T HA 0.156 4.508 4.350 0.004 0.000 0.250 94 T C 0.634 175.310 174.700 -0.040 0.000 1.067 94 T CA -0.107 62.004 62.100 0.018 0.000 0.966 94 T CB -0.004 68.842 68.868 -0.038 0.000 1.002 94 T HN 0.234 nan 8.240 nan 0.000 0.542 95 H N -0.642 118.713 119.070 0.475 0.000 3.605 95 H HA 0.557 5.116 4.556 0.004 0.000 0.307 95 H C -0.140 175.588 175.328 0.667 0.000 1.692 95 H CA -1.613 54.672 56.048 0.394 0.000 1.453 95 H CB 0.061 29.753 29.762 -0.117 0.000 1.511 95 H HN -0.020 nan 8.280 nan 0.000 0.809 96 F N -0.111 119.979 119.950 0.234 0.000 3.081 96 F HA -0.322 4.207 4.527 0.003 0.000 0.270 96 F C 1.907 177.691 175.800 -0.027 0.000 0.934 96 F CA 1.014 59.029 58.000 0.026 0.000 0.907 96 F CB -1.523 37.394 39.000 -0.138 0.000 0.920 96 F HN 0.512 nan 8.300 nan 0.000 0.667 97 K N 0.896 121.337 120.400 0.068 0.000 2.184 97 K HA -0.292 4.031 4.320 0.004 0.000 0.210 97 K C 2.322 178.893 176.600 -0.048 0.000 1.048 97 K CA 2.046 58.150 56.287 -0.306 0.000 0.931 97 K CB -0.804 31.197 32.500 -0.831 0.000 0.718 97 K HN 0.538 nan 8.250 nan 0.000 0.465 98 G N 0.505 109.291 108.800 -0.022 0.000 2.480 98 G HA2 -0.268 3.695 3.960 0.004 0.000 0.216 98 G HA3 -0.268 3.695 3.960 0.004 0.000 0.216 98 G C 1.519 176.435 174.900 0.028 0.000 1.200 98 G CA 0.961 46.063 45.100 0.004 0.000 0.782 98 G HN 0.247 nan 8.290 nan 0.000 0.554 99 V N -0.173 119.744 119.914 0.004 0.000 2.287 99 V HA -0.195 3.928 4.120 0.004 0.000 0.248 99 V C 2.486 178.568 176.094 -0.020 0.000 1.053 99 V CA 2.074 64.332 62.300 -0.071 0.000 1.027 99 V CB -0.525 31.177 31.823 -0.201 0.000 0.646 99 V HN 0.638 nan 8.190 nan 0.000 0.447 100 W N -0.180 121.175 121.300 0.093 0.000 2.331 100 W HA -0.255 4.407 4.660 0.003 0.000 0.291 100 W C 2.455 179.020 176.519 0.077 0.000 1.214 100 W CA 1.368 58.788 57.345 0.125 0.000 1.228 100 W CB -0.377 29.199 29.460 0.194 0.000 1.135 100 W HN 0.311 nan 8.180 nan 0.000 0.537 101 N N 0.422 119.274 118.700 0.253 0.000 2.244 101 N HA -0.148 4.595 4.740 0.004 0.000 0.183 101 N C 1.359 176.930 175.510 0.103 0.000 1.016 101 N CA 1.441 54.577 53.050 0.142 0.000 0.866 101 N CB -0.307 38.226 38.487 0.077 0.000 0.980 101 N HN 0.038 nan 8.380 nan 0.000 0.430 102 I N -0.834 119.786 120.570 0.083 0.000 2.113 102 I HA -0.233 3.940 4.170 0.004 0.000 0.238 102 I C 2.136 178.280 176.117 0.045 0.000 1.070 102 I CA 0.779 62.104 61.300 0.041 0.000 1.332 102 I CB -0.440 37.565 38.000 0.010 0.000 1.044 102 I HN -0.008 nan 8.210 nan 0.000 0.402 103 V N 0.848 120.818 119.914 0.094 0.000 2.343 103 V HA -0.263 3.859 4.120 0.004 0.000 0.247 103 V C 1.278 177.441 176.094 0.114 0.000 1.051 103 V CA 1.720 64.089 62.300 0.116 0.000 1.036 103 V CB -0.772 31.216 31.823 0.274 0.000 0.654 103 V HN 0.443 nan 8.190 nan 0.000 0.451 104 N N 0.810 119.601 118.700 0.151 0.000 2.799 104 N HA -0.022 4.720 4.740 0.004 0.000 0.205 104 N C 0.265 175.777 175.510 0.003 0.000 1.640 104 N CA 0.263 53.338 53.050 0.042 0.000 0.942 104 N CB -1.118 37.397 38.487 0.047 0.000 1.262 104 N HN 0.442 nan 8.380 nan 0.000 0.485 105 I N 0.218 120.719 120.570 -0.114 0.000 2.754 105 I HA -0.329 3.843 4.170 0.004 0.000 0.126 105 I C -1.012 174.879 176.117 -0.376 0.000 0.885 105 I CA -0.474 60.646 61.300 -0.299 0.000 2.786 105 I CB -0.397 37.317 38.000 -0.477 0.000 0.576 105 I HN 0.138 nan 8.210 nan 0.000 0.352 106 P HA -0.309 nan 4.420 nan 0.000 0.218 106 P C 1.507 178.852 177.300 0.075 0.000 1.018 106 P CA 2.531 65.655 63.100 0.039 0.000 1.016 106 P CB -0.142 31.663 31.700 0.175 0.000 0.748 107 F N -1.901 118.101 119.950 0.087 0.000 2.087 107 F HA -0.200 4.329 4.527 0.004 0.000 0.299 107 F C 2.455 178.324 175.800 0.115 0.000 1.100 107 F CA 0.987 59.042 58.000 0.092 0.000 1.226 107 F CB -1.864 37.181 39.000 0.075 0.000 0.983 107 F HN -0.145 nan 8.300 nan 0.000 0.479 108 L N 0.310 121.350 121.223 -0.304 0.000 1.955 108 L HA -0.242 4.100 4.340 0.004 0.000 0.213 108 L C 2.980 179.915 176.870 0.108 0.000 1.072 108 L CA 2.004 56.781 54.840 -0.105 0.000 0.755 108 L CB -0.647 41.263 42.059 -0.248 0.000 0.888 108 L HN 0.185 nan 8.230 nan 0.000 0.432 109 R N -0.099 120.472 120.500 0.119 0.000 2.143 109 R HA -0.236 4.106 4.340 0.004 0.000 0.239 109 R C 2.357 178.882 176.300 0.376 0.000 1.126 109 R CA 2.549 58.837 56.100 0.314 0.000 0.927 109 R CB -0.403 29.964 30.300 0.112 0.000 0.860 109 R HN 0.294 nan 8.270 nan 0.000 0.433 110 S N 1.380 117.218 115.700 0.231 0.000 2.359 110 S HA -0.243 4.229 4.470 0.004 0.000 0.222 110 S C 1.944 176.671 174.600 0.211 0.000 1.038 110 S CA 1.574 59.901 58.200 0.211 0.000 1.051 110 S CB -0.771 62.529 63.200 0.166 0.000 0.944 110 S HN 0.523 nan 8.310 nan 0.000 0.433 111 L N 1.557 122.898 121.223 0.197 0.000 2.085 111 L HA -0.197 4.146 4.340 0.004 0.000 0.218 111 L C 1.837 178.811 176.870 0.174 0.000 1.080 111 L CA 1.831 56.776 54.840 0.176 0.000 0.776 111 L CB -0.553 41.609 42.059 0.172 0.000 0.891 111 L HN 0.217 nan 8.230 nan 0.000 0.437 112 I N -0.820 119.861 120.570 0.184 0.000 2.130 112 I HA -0.217 3.955 4.170 0.004 0.000 0.234 112 I C 2.548 178.704 176.117 0.066 0.000 1.067 112 I CA 1.823 63.176 61.300 0.089 0.000 1.339 112 I CB -1.203 36.760 38.000 -0.062 0.000 1.073 112 I HN 0.447 nan 8.210 nan 0.000 0.405 113 M N 1.617 121.314 119.600 0.161 0.000 2.128 113 M HA -0.311 4.171 4.480 0.004 0.000 0.253 113 M C 2.231 178.595 176.300 0.107 0.000 1.079 113 M CA 2.246 57.696 55.300 0.250 0.000 1.082 113 M CB -0.601 32.277 32.600 0.463 0.000 1.335 113 M HN 0.248 nan 8.290 nan 0.000 0.401 114 K N -1.268 119.199 120.400 0.112 0.000 1.985 114 K HA -0.265 4.057 4.320 0.004 0.000 0.210 114 K C 2.102 178.707 176.600 0.009 0.000 1.047 114 K CA 1.985 58.303 56.287 0.052 0.000 0.932 114 K CB -1.031 31.519 32.500 0.083 0.000 0.716 114 K HN 0.507 nan 8.250 nan 0.000 0.439 115 Y N 1.744 122.043 120.300 -0.001 0.000 2.096 115 Y HA -0.320 4.232 4.550 0.003 0.000 0.278 115 Y C 2.039 177.929 175.900 -0.017 0.000 1.192 115 Y CA 2.229 60.322 58.100 -0.012 0.000 1.143 115 Y CB -0.853 37.589 38.460 -0.029 0.000 0.963 115 Y HN 0.061 nan 8.280 nan 0.000 0.505 116 V N -0.069 119.582 119.914 -0.438 0.000 2.295 116 V HA -0.231 3.891 4.120 0.004 0.000 0.246 116 V C 2.218 178.131 176.094 -0.302 0.000 1.049 116 V CA 2.025 64.054 62.300 -0.451 0.000 1.024 116 V CB -0.966 30.792 31.823 -0.107 0.000 0.648 116 V HN 0.461 nan 8.190 nan 0.000 0.447 117 L N 1.845 122.964 121.223 -0.172 0.000 1.971 117 L HA -0.158 4.184 4.340 0.004 0.000 0.215 117 L C 3.063 179.840 176.870 -0.156 0.000 1.072 117 L CA 3.203 57.958 54.840 -0.142 0.000 0.758 117 L CB -1.962 40.018 42.059 -0.130 0.000 0.889 117 L HN 0.770 nan 8.230 nan 0.000 0.433 118 T N -3.516 110.942 114.554 -0.159 0.000 2.833 118 T HA -0.141 4.211 4.350 0.004 0.000 0.269 118 T C 2.021 176.660 174.700 -0.102 0.000 1.054 118 T CA 1.343 63.383 62.100 -0.100 0.000 1.135 118 T CB -0.671 68.160 68.868 -0.061 0.000 0.869 118 T HN 0.386 nan 8.240 nan 0.000 0.466 119 S N 2.622 118.143 115.700 -0.299 0.000 2.359 119 S HA -0.188 4.284 4.470 0.004 0.000 0.223 119 S C 2.136 176.767 174.600 0.052 0.000 1.039 119 S CA 0.885 58.941 58.200 -0.240 0.000 1.042 119 S CB -0.459 62.404 63.200 -0.561 0.000 0.915 119 S HN 0.506 nan 8.310 nan 0.000 0.439 120 R N 1.760 122.254 120.500 -0.010 0.000 2.124 120 R HA 0.004 4.346 4.340 0.004 0.000 0.215 120 R C 2.470 178.812 176.300 0.070 0.000 1.145 120 R CA 1.228 57.346 56.100 0.031 0.000 0.898 120 R CB -1.514 28.782 30.300 -0.007 0.000 0.790 120 R HN 0.549 nan 8.270 nan 0.000 0.458 121 S N 1.364 117.089 115.700 0.042 0.000 2.521 121 S HA -0.380 4.092 4.470 0.004 0.000 0.517 121 S C 1.692 176.338 174.600 0.076 0.000 0.973 121 S CA 2.473 60.728 58.200 0.090 0.000 3.182 121 S CB -1.930 61.340 63.200 0.117 0.000 2.244 121 S HN 0.721 nan 8.310 nan 0.000 0.529 122 Y N 2.202 122.497 120.300 -0.008 0.000 2.874 122 Y HA 0.232 4.784 4.550 0.003 0.000 0.311 122 Y C 1.591 177.458 175.900 -0.054 0.000 1.174 122 Y CA 0.479 58.569 58.100 -0.017 0.000 1.414 122 Y CB -0.272 38.182 38.460 -0.011 0.000 0.987 122 Y HN 0.253 nan 8.280 nan 0.000 0.547 123 L N 0.563 121.452 121.223 -0.556 0.000 2.262 123 L HA 0.153 4.496 4.340 0.004 0.000 0.197 123 L C 1.259 177.866 176.870 -0.437 0.000 1.073 123 L CA 0.275 54.706 54.840 -0.682 0.000 0.800 123 L CB -0.319 41.361 42.059 -0.631 0.000 0.987 123 L HN 0.177 nan 8.230 nan 0.000 0.470 124 I N 0.291 120.714 120.570 -0.245 0.000 2.993 124 I HA -0.034 4.138 4.170 0.004 0.000 0.286 124 I C -0.184 175.896 176.117 -0.063 0.000 1.215 124 I CA 0.133 61.372 61.300 -0.101 0.000 1.393 124 I CB -0.175 37.843 38.000 0.031 0.000 1.371 124 I HN 0.149 nan 8.210 nan 0.000 0.602 125 D N 2.890 123.291 120.400 0.002 0.000 2.639 125 D HA 0.177 4.819 4.640 0.004 0.000 0.233 125 D C -0.208 176.093 176.300 0.001 0.000 1.161 125 D CA 0.316 54.319 54.000 0.006 0.000 1.003 125 D CB 0.326 41.154 40.800 0.047 0.000 1.034 125 D HN 0.337 nan 8.370 nan 0.000 0.514 126 S N 1.881 117.567 115.700 -0.023 0.000 2.449 126 S HA 0.499 4.971 4.470 0.004 0.000 0.310 126 S C -2.358 172.216 174.600 -0.044 0.000 1.096 126 S CA -1.404 56.772 58.200 -0.039 0.000 1.095 126 S CB 1.029 64.178 63.200 -0.084 0.000 1.007 126 S HN 0.131 nan 8.310 nan 0.000 0.474 127 P HA 0.251 nan 4.420 nan 0.000 0.269 127 P C -2.708 174.614 177.300 0.037 0.000 1.209 127 P CA -1.148 61.972 63.100 0.034 0.000 0.776 127 P CB -0.621 31.146 31.700 0.111 0.000 0.876 128 P HA -0.105 nan 4.420 nan 0.000 0.268 128 P C 0.620 177.915 177.300 -0.009 0.000 1.189 128 P CA 0.543 63.648 63.100 0.009 0.000 0.771 128 P CB 0.197 31.867 31.700 -0.050 0.000 0.822 129 T N -0.757 113.763 114.554 -0.057 0.000 2.614 129 T HA 0.236 4.588 4.350 0.004 0.000 0.163 129 T C 0.380 174.950 174.700 -0.217 0.000 0.806 129 T CA -0.129 61.826 62.100 -0.243 0.000 1.020 129 T CB -0.549 68.042 68.868 -0.461 0.000 2.539 129 T HN 0.218 nan 8.240 nan 0.000 0.380 130 Y N 3.701 124.032 120.300 0.053 0.000 2.281 130 Y HA 0.597 5.149 4.550 0.005 0.000 0.337 130 Y C 0.930 176.869 175.900 0.065 0.000 1.304 130 Y CA -0.592 57.545 58.100 0.063 0.000 1.465 130 Y CB 0.155 38.645 38.460 0.051 0.000 1.350 130 Y HN 0.872 nan 8.280 nan 0.000 0.575 131 N N -3.251 115.615 118.700 0.277 0.000 3.344 131 N HA 0.193 4.936 4.740 0.004 0.000 0.296 131 N C -0.171 175.442 175.510 0.172 0.000 1.571 131 N CA -0.660 52.527 53.050 0.229 0.000 0.844 131 N CB 0.347 38.991 38.487 0.261 0.000 1.718 131 N HN 0.319 nan 8.380 nan 0.000 0.589 132 V N 0.552 120.550 119.914 0.139 0.000 2.218 132 V HA -0.334 3.788 4.120 0.004 0.000 0.251 132 V C 1.858 177.883 176.094 -0.116 0.000 1.057 132 V CA 2.584 64.823 62.300 -0.102 0.000 1.022 132 V CB -1.222 30.364 31.823 -0.394 0.000 0.645 132 V HN 0.760 nan 8.190 nan 0.000 0.451 133 H N -3.097 116.067 119.070 0.155 0.000 2.546 133 H HA 0.073 4.631 4.556 0.004 0.000 0.277 133 H C -0.224 174.824 175.328 -0.466 0.000 1.004 133 H CA 0.402 56.365 56.048 -0.142 0.000 1.231 133 H CB -0.040 29.635 29.762 -0.146 0.000 1.382 133 H HN 0.474 nan 8.280 nan 0.000 0.580 134 Y N -0.537 119.812 120.300 0.080 0.000 2.338 134 Y HA 0.325 4.877 4.550 0.004 0.000 0.328 134 Y C 1.086 176.959 175.900 -0.046 0.000 0.965 134 Y CA -0.807 57.242 58.100 -0.084 0.000 1.208 134 Y CB 1.971 40.438 38.460 0.011 0.000 1.132 134 Y HN 0.053 nan 8.280 nan 0.000 0.469 135 G N 2.434 111.146 108.800 -0.148 0.000 2.838 135 G HA2 -0.013 3.949 3.960 0.004 0.000 0.210 135 G HA3 -0.013 3.949 3.960 0.004 0.000 0.210 135 G C -0.224 174.842 174.900 0.277 0.000 1.153 135 G CA 0.289 45.367 45.100 -0.037 0.000 0.778 135 G HN 0.506 nan 8.290 nan 0.000 0.539 136 Y N -0.791 119.775 120.300 0.444 0.000 2.549 136 Y HA 0.796 5.349 4.550 0.004 0.000 0.339 136 Y C -0.125 175.880 175.900 0.175 0.000 1.053 136 Y CA -3.431 54.882 58.100 0.355 0.000 1.105 136 Y CB 0.575 39.163 38.460 0.213 0.000 1.258 136 Y HN -0.267 nan 8.280 nan 0.000 0.478 137 K N 1.424 121.957 120.400 0.223 0.000 2.401 137 K HA 0.468 4.790 4.320 0.004 0.000 0.278 137 K C -0.168 176.472 176.600 0.065 0.000 1.018 137 K CA 0.151 56.410 56.287 -0.047 0.000 0.981 137 K CB 0.549 32.963 32.500 -0.144 0.000 0.933 137 K HN 0.877 nan 8.250 nan 0.000 0.477 138 S N 2.126 117.806 115.700 -0.033 0.000 2.579 138 S HA 0.220 4.692 4.470 0.004 0.000 0.272 138 S C -0.042 174.473 174.600 -0.142 0.000 1.141 138 S CA -1.048 57.093 58.200 -0.098 0.000 0.843 138 S CB 0.528 63.607 63.200 -0.201 0.000 1.122 138 S HN 0.833 nan 8.310 nan 0.000 0.468 139 W N 2.078 123.284 121.300 -0.157 0.000 2.378 139 W HA -0.091 4.572 4.660 0.004 0.000 0.313 139 W C 1.776 178.238 176.519 -0.095 0.000 1.197 139 W CA 2.385 59.689 57.345 -0.069 0.000 1.304 139 W CB -0.543 28.879 29.460 -0.062 0.000 1.148 139 W HN 1.053 nan 8.180 nan 0.000 0.494 140 E N 1.172 121.303 120.200 -0.116 0.000 2.169 140 E HA -0.233 4.120 4.350 0.004 0.000 0.202 140 E C 1.933 178.274 176.600 -0.431 0.000 1.016 140 E CA 2.511 58.782 56.400 -0.215 0.000 0.817 140 E CB -0.773 28.774 29.700 -0.256 0.000 0.736 140 E HN 0.177 nan 8.360 nan 0.000 0.462 141 A N 0.416 122.881 122.820 -0.591 0.000 1.836 141 A HA -0.127 4.196 4.320 0.004 0.000 0.212 141 A C 2.201 179.540 177.584 -0.409 0.000 1.243 141 A CA 1.512 53.253 52.037 -0.494 0.000 0.620 141 A CB -1.581 17.204 19.000 -0.358 0.000 0.889 141 A HN 0.512 nan 8.150 nan 0.000 0.463 142 F N 1.936 121.574 119.950 -0.520 0.000 2.204 142 F HA -0.300 4.229 4.527 0.004 0.000 0.301 142 F C 2.395 177.812 175.800 -0.637 0.000 1.058 142 F CA 2.184 59.843 58.000 -0.570 0.000 1.313 142 F CB -0.148 38.429 39.000 -0.704 0.000 1.051 142 F HN 0.317 nan 8.300 nan 0.000 0.505 143 S N -0.341 114.879 115.700 -0.800 0.000 2.327 143 S HA -0.072 4.400 4.470 0.004 0.000 0.213 143 S C 1.043 175.399 174.600 -0.407 0.000 1.032 143 S CA 0.251 58.059 58.200 -0.653 0.000 0.960 143 S CB -0.993 61.962 63.200 -0.408 0.000 0.900 143 S HN 0.382 nan 8.310 nan 0.000 0.469 144 N N 2.047 120.598 118.700 -0.248 0.000 2.315 144 N HA 0.005 4.747 4.740 0.004 0.000 0.270 144 N C 0.367 175.833 175.510 -0.073 0.000 1.329 144 N CA 0.233 53.242 53.050 -0.069 0.000 0.860 144 N CB 0.159 38.707 38.487 0.102 0.000 1.095 144 N HN 0.468 nan 8.380 nan 0.000 0.487 145 L N 1.922 123.093 121.223 -0.087 0.000 2.585 145 L HA 0.010 4.352 4.340 0.004 0.000 0.226 145 L C 1.622 178.520 176.870 0.047 0.000 1.113 145 L CA 0.218 54.962 54.840 -0.161 0.000 0.876 145 L CB -0.037 41.858 42.059 -0.273 0.000 1.072 145 L HN 0.461 nan 8.230 nan 0.000 0.468 146 S N -1.643 114.125 115.700 0.114 0.000 2.496 146 S HA 0.004 4.476 4.470 0.004 0.000 0.224 146 S C 0.647 175.393 174.600 0.242 0.000 0.996 146 S CA 0.080 58.337 58.200 0.095 0.000 0.927 146 S CB -0.239 62.932 63.200 -0.048 0.000 0.774 146 S HN 0.186 nan 8.310 nan 0.000 0.524 147 Y N 0.608 121.047 120.300 0.232 0.000 2.260 147 Y HA 0.379 4.932 4.550 0.004 0.000 0.339 147 Y C 0.007 175.995 175.900 0.146 0.000 1.317 147 Y CA -0.549 57.739 58.100 0.314 0.000 1.514 147 Y CB 0.289 38.917 38.460 0.280 0.000 1.382 147 Y HN 0.066 nan 8.280 nan 0.000 0.581 148 Y N -0.020 120.442 120.300 0.271 0.000 2.341 148 Y HA 0.236 4.789 4.550 0.005 0.000 0.338 148 Y C 0.437 176.418 175.900 0.136 0.000 0.965 148 Y CA -1.018 57.153 58.100 0.118 0.000 1.108 148 Y CB 1.690 40.157 38.460 0.013 0.000 1.180 148 Y HN 0.499 nan 8.280 nan 0.000 0.458 149 T N 4.202 118.921 114.554 0.274 0.000 2.860 149 T HA 0.333 4.685 4.350 0.004 0.000 0.299 149 T C -0.195 174.597 174.700 0.154 0.000 1.045 149 T CA -0.433 61.776 62.100 0.182 0.000 1.071 149 T CB 0.284 69.223 68.868 0.119 0.000 0.985 149 T HN 0.513 nan 8.240 nan 0.000 0.537 150 R N 2.644 123.244 120.500 0.167 0.000 2.409 150 R HA 0.492 4.834 4.340 0.004 0.000 0.313 150 R C 1.006 177.451 176.300 0.242 0.000 0.953 150 R CA -0.339 55.846 56.100 0.143 0.000 0.849 150 R CB 1.375 31.704 30.300 0.049 0.000 1.171 150 R HN 0.812 nan 8.270 nan 0.000 0.458 151 A N 4.094 127.123 122.820 0.348 0.000 2.032 151 A HA -0.045 4.277 4.320 0.004 0.000 0.221 151 A C 0.738 178.489 177.584 0.279 0.000 1.165 151 A CA 1.207 53.514 52.037 0.450 0.000 0.645 151 A CB 0.095 19.597 19.000 0.836 0.000 0.807 151 A HN 0.511 nan 8.150 nan 0.000 0.453 152 L N -0.187 121.146 121.223 0.184 0.000 2.431 152 L HA 0.356 4.699 4.340 0.004 0.000 0.266 152 L C -2.603 174.140 176.870 -0.212 0.000 0.978 152 L CA -2.497 52.272 54.840 -0.119 0.000 0.822 152 L CB 2.803 44.606 42.059 -0.427 0.000 1.310 152 L HN -0.041 nan 8.230 nan 0.000 0.409 153 P HA 0.134 nan 4.420 nan 0.000 0.269 153 P C -2.664 174.486 177.300 -0.251 0.000 1.215 153 P CA -0.922 61.909 63.100 -0.448 0.000 0.780 153 P CB -0.085 31.188 31.700 -0.712 0.000 0.898 154 P HA 0.084 nan 4.420 nan 0.000 0.302 154 P C -0.616 176.620 177.300 -0.107 0.000 1.301 154 P CA -0.098 62.928 63.100 -0.123 0.000 0.745 154 P CB 0.344 31.982 31.700 -0.104 0.000 1.331 155 V N -1.015 118.861 119.914 -0.062 0.000 2.495 155 V HA 0.485 4.607 4.120 0.004 0.000 0.298 155 V C 0.484 176.556 176.094 -0.036 0.000 1.031 155 V CA -1.273 60.998 62.300 -0.048 0.000 0.871 155 V CB 0.622 32.434 31.823 -0.019 0.000 0.988 155 V HN 0.715 nan 8.190 nan 0.000 0.432 156 A N 2.659 125.457 122.820 -0.036 0.000 2.583 156 A HA 0.023 4.345 4.320 0.004 0.000 0.249 156 A C 1.081 178.663 177.584 -0.004 0.000 1.035 156 A CA 0.067 52.092 52.037 -0.020 0.000 0.777 156 A CB -0.210 18.787 19.000 -0.005 0.000 0.942 156 A HN 0.906 nan 8.150 nan 0.000 0.516 157 D N 1.419 121.820 120.400 0.002 0.000 2.351 157 D HA -0.147 4.495 4.640 0.004 0.000 0.216 157 D C 1.333 177.644 176.300 0.019 0.000 0.968 157 D CA 1.528 55.535 54.000 0.013 0.000 0.899 157 D CB 0.079 40.891 40.800 0.020 0.000 0.907 157 D HN 0.833 nan 8.370 nan 0.000 0.514 158 D N -0.043 120.370 120.400 0.022 0.000 2.348 158 D HA -0.088 4.554 4.640 0.004 0.000 0.211 158 D C 0.350 176.665 176.300 0.024 0.000 0.998 158 D CA -0.179 53.839 54.000 0.030 0.000 0.873 158 D CB -0.176 40.650 40.800 0.044 0.000 0.925 158 D HN -0.017 nan 8.370 nan 0.000 0.524 159 c N 2.498 121.107 118.600 0.015 0.000 2.665 159 c HA 0.077 4.649 4.570 0.004 0.000 0.416 159 c C -0.263 173.833 174.090 0.011 0.000 1.305 159 c CA -0.980 55.354 56.329 0.009 0.000 1.903 159 c CB 1.272 43.781 42.510 -0.001 0.000 2.704 159 c HN 0.354 nan 8.230 nan 0.000 0.629 160 P HA -0.029 nan 4.420 nan 0.000 0.214 160 P C 0.437 177.743 177.300 0.011 0.000 1.162 160 P CA 1.540 64.647 63.100 0.010 0.000 0.871 160 P CB -0.166 31.539 31.700 0.008 0.000 0.783 161 T N -3.943 110.617 114.554 0.010 0.000 2.888 161 T HA 0.427 4.779 4.350 0.004 0.000 0.284 161 T C -2.168 172.544 174.700 0.019 0.000 1.017 161 T CA -2.358 59.750 62.100 0.014 0.000 1.022 161 T CB 1.800 70.678 68.868 0.016 0.000 1.013 161 T HN -0.264 nan 8.240 nan 0.000 0.465 162 P HA -0.087 nan 4.420 nan 0.000 0.218 162 P C 0.866 178.196 177.300 0.049 0.000 1.147 162 P CA 1.247 64.369 63.100 0.036 0.000 0.827 162 P CB 0.038 31.760 31.700 0.037 0.000 0.778 163 M N -2.266 117.362 119.600 0.046 0.000 2.771 163 M HA 0.337 4.819 4.480 0.004 0.000 0.341 163 M C 1.270 177.580 176.300 0.018 0.000 1.226 163 M CA 0.270 55.600 55.300 0.049 0.000 0.955 163 M CB -0.142 32.500 32.600 0.070 0.000 1.318 163 M HN 0.112 nan 8.290 nan 0.000 0.514 164 G N 0.755 109.560 108.800 0.008 0.000 5.064 164 G HA2 -0.310 3.652 3.960 0.004 0.000 0.277 164 G HA3 -0.310 3.652 3.960 0.004 0.000 0.277 164 G C 0.480 175.375 174.900 -0.008 0.000 1.580 164 G CA 0.750 45.843 45.100 -0.011 0.000 1.109 164 G HN 0.416 nan 8.290 nan 0.000 0.695 165 V N -2.663 117.246 119.914 -0.008 0.000 3.165 165 V HA 0.482 4.605 4.120 0.004 0.000 0.231 165 V C 0.988 177.086 176.094 0.008 0.000 1.365 165 V CA 1.032 63.329 62.300 -0.004 0.000 1.286 165 V CB -0.216 31.596 31.823 -0.017 0.000 1.081 165 V HN 0.426 nan 8.190 nan 0.000 0.477 166 K N 2.154 122.560 120.400 0.011 0.000 2.401 166 K HA 0.509 4.832 4.320 0.004 0.000 0.278 166 K C 0.510 177.135 176.600 0.041 0.000 1.018 166 K CA 1.192 57.495 56.287 0.027 0.000 0.981 166 K CB 0.472 32.989 32.500 0.029 0.000 0.933 166 K HN 0.859 nan 8.250 nan 0.000 0.477 167 G N 2.127 110.955 108.800 0.046 0.000 2.422 167 G HA2 -0.175 3.787 3.960 0.004 0.000 0.607 167 G HA3 -0.175 3.787 3.960 0.004 0.000 0.607 167 G C -1.070 173.846 174.900 0.028 0.000 1.270 167 G CA -0.931 44.199 45.100 0.049 0.000 0.992 167 G HN 0.601 nan 8.290 nan 0.000 0.499 168 N N -0.455 118.254 118.700 0.015 0.000 2.502 168 N HA 0.324 5.066 4.740 0.004 0.000 0.280 168 N C 1.155 176.666 175.510 0.001 0.000 1.223 168 N CA -0.478 52.574 53.050 0.004 0.000 0.966 168 N CB 1.275 39.757 38.487 -0.008 0.000 1.203 168 N HN 0.566 nan 8.380 nan 0.000 0.565 169 K N 0.403 120.803 120.400 -0.001 0.000 2.442 169 K HA -0.134 4.189 4.320 0.004 0.000 0.200 169 K C -0.012 176.586 176.600 -0.003 0.000 1.045 169 K CA 1.422 57.710 56.287 0.000 0.000 0.937 169 K CB 0.103 32.603 32.500 -0.000 0.000 0.757 169 K HN 0.487 nan 8.250 nan 0.000 0.474 170 E N -1.773 118.420 120.200 -0.013 0.000 2.421 170 E HA 0.393 4.745 4.350 0.004 0.000 0.265 170 E C -1.399 175.174 176.600 -0.045 0.000 0.990 170 E CA -0.824 55.563 56.400 -0.021 0.000 0.874 170 E CB 1.328 31.014 29.700 -0.024 0.000 1.646 170 E HN -0.200 nan 8.360 nan 0.000 0.451 171 L N 1.984 123.169 121.223 -0.064 0.000 2.333 171 L HA 0.533 4.876 4.340 0.004 0.000 0.269 171 L C -2.215 174.552 176.870 -0.172 0.000 1.010 171 L CA -1.981 52.778 54.840 -0.135 0.000 0.818 171 L CB 1.342 43.348 42.059 -0.088 0.000 1.306 171 L HN 0.484 nan 8.230 nan 0.000 0.430 172 P HA -0.058 nan 4.420 nan 0.000 0.263 172 P C -0.482 176.746 177.300 -0.120 0.000 1.175 172 P CA 0.030 62.986 63.100 -0.241 0.000 0.761 172 P CB 0.399 31.861 31.700 -0.396 0.000 0.794 173 D N 2.108 122.467 120.400 -0.067 0.000 2.472 173 D HA -0.072 4.571 4.640 0.004 0.000 0.237 173 D C 1.014 177.308 176.300 -0.009 0.000 1.141 173 D CA 0.367 54.349 54.000 -0.031 0.000 0.875 173 D CB 0.903 41.691 40.800 -0.021 0.000 1.192 173 D HN 0.334 nan 8.370 nan 0.000 0.450 174 S N 4.025 119.731 115.700 0.009 0.000 2.355 174 S HA -0.192 4.280 4.470 0.004 0.000 0.222 174 S C 1.857 176.478 174.600 0.034 0.000 1.031 174 S CA 0.838 59.060 58.200 0.037 0.000 0.993 174 S CB -0.248 62.977 63.200 0.041 0.000 0.859 174 S HN 0.674 nan 8.310 nan 0.000 0.453 175 K N 1.444 121.855 120.400 0.017 0.000 2.052 175 K HA -0.250 4.073 4.320 0.004 0.000 0.215 175 K C 2.067 178.675 176.600 0.013 0.000 1.053 175 K CA 2.004 58.298 56.287 0.011 0.000 0.934 175 K CB -0.332 32.170 32.500 0.002 0.000 0.717 175 K HN 0.523 nan 8.250 nan 0.000 0.450 176 E N 0.154 120.361 120.200 0.012 0.000 1.983 176 E HA -0.214 4.139 4.350 0.004 0.000 0.208 176 E C 2.104 178.722 176.600 0.031 0.000 1.006 176 E CA 1.706 58.114 56.400 0.014 0.000 0.872 176 E CB -0.747 28.957 29.700 0.007 0.000 0.806 176 E HN 0.168 nan 8.360 nan 0.000 0.510 177 V N 2.556 122.504 119.914 0.057 0.000 2.265 177 V HA -0.356 3.766 4.120 0.004 0.000 0.259 177 V C 2.589 178.718 176.094 0.059 0.000 1.084 177 V CA 2.400 64.755 62.300 0.093 0.000 1.076 177 V CB -1.133 30.785 31.823 0.159 0.000 0.680 177 V HN 0.338 nan 8.190 nan 0.000 0.452 178 L N -0.300 120.955 121.223 0.053 0.000 1.976 178 L HA -0.337 4.006 4.340 0.004 0.000 0.223 178 L C 2.798 179.679 176.870 0.017 0.000 1.081 178 L CA 2.790 57.653 54.840 0.038 0.000 0.784 178 L CB -0.381 41.697 42.059 0.031 0.000 0.896 178 L HN 0.529 nan 8.230 nan 0.000 0.438 179 E N -0.518 119.688 120.200 0.010 0.000 2.001 179 E HA -0.205 4.147 4.350 0.004 0.000 0.193 179 E C 1.951 178.550 176.600 -0.002 0.000 0.994 179 E CA 0.833 57.232 56.400 -0.002 0.000 0.815 179 E CB -0.199 29.499 29.700 -0.004 0.000 0.770 179 E HN 0.289 nan 8.360 nan 0.000 0.453 180 K N 0.542 120.945 120.400 0.005 0.000 2.334 180 K HA -0.189 4.134 4.320 0.004 0.000 0.204 180 K C 1.622 178.223 176.600 0.000 0.000 1.043 180 K CA 1.766 58.056 56.287 0.004 0.000 0.933 180 K CB -0.103 32.407 32.500 0.017 0.000 0.734 180 K HN 0.326 nan 8.250 nan 0.000 0.479 181 V N -5.698 114.216 119.914 0.000 0.000 3.968 181 V HA 0.086 4.208 4.120 0.004 0.000 0.298 181 V C 1.154 177.233 176.094 -0.026 0.000 1.699 181 V CA -0.270 62.023 62.300 -0.013 0.000 1.282 181 V CB -0.493 31.327 31.823 -0.006 0.000 0.994 181 V HN -0.029 nan 8.190 nan 0.000 0.402 182 L N -0.023 121.190 121.223 -0.017 0.000 2.453 182 L HA 0.466 4.808 4.340 0.004 0.000 0.190 182 L C 0.855 177.712 176.870 -0.021 0.000 1.093 182 L CA 0.144 54.971 54.840 -0.023 0.000 0.834 182 L CB 0.025 42.082 42.059 -0.004 0.000 1.090 182 L HN 0.158 nan 8.230 nan 0.000 0.489 183 L N 1.998 123.212 121.223 -0.015 0.000 2.615 183 L HA -0.084 4.258 4.340 0.004 0.000 0.284 183 L C 0.892 177.742 176.870 -0.033 0.000 1.237 183 L CA 0.487 55.314 54.840 -0.023 0.000 0.905 183 L CB -0.123 41.921 42.059 -0.025 0.000 1.149 183 L HN 0.202 nan 8.230 nan 0.000 0.499 184 R N 4.205 124.682 120.500 -0.038 0.000 2.401 184 R HA 0.119 4.461 4.340 0.004 0.000 0.299 184 R C 0.629 176.909 176.300 -0.034 0.000 1.064 184 R CA -0.382 55.690 56.100 -0.046 0.000 1.000 184 R CB 0.604 30.874 30.300 -0.050 0.000 0.973 184 R HN 0.656 nan 8.270 nan 0.000 0.438 185 R N 3.397 123.878 120.500 -0.032 0.000 2.015 185 R HA 0.102 4.444 4.340 0.004 0.000 0.212 185 R C 0.123 176.421 176.300 -0.005 0.000 1.304 185 R CA 0.454 56.541 56.100 -0.022 0.000 1.040 185 R CB -0.337 29.948 30.300 -0.025 0.000 0.915 185 R HN 0.608 nan 8.270 nan 0.000 0.465 186 E N 1.446 121.645 120.200 -0.002 0.000 2.146 186 E HA 0.129 4.481 4.350 0.004 0.000 0.282 186 E C -1.162 175.473 176.600 0.058 0.000 0.989 186 E CA -0.709 55.709 56.400 0.031 0.000 0.799 186 E CB 0.811 30.521 29.700 0.016 0.000 1.088 186 E HN -0.008 nan 8.360 nan 0.000 0.397 187 F N 5.006 124.924 119.950 -0.053 0.000 2.612 187 F HA 0.024 4.554 4.527 0.005 0.000 0.389 187 F C -0.612 175.154 175.800 -0.056 0.000 1.055 187 F CA 0.287 58.254 58.000 -0.055 0.000 1.232 187 F CB 0.186 39.152 39.000 -0.057 0.000 1.044 187 F HN 0.321 nan 8.300 nan 0.000 0.560 188 I N 9.090 129.276 120.570 -0.641 0.000 2.339 188 I HA 0.317 4.489 4.170 0.004 0.000 0.290 188 I C -2.131 173.513 176.117 -0.788 0.000 0.994 188 I CA -2.113 58.909 61.300 -0.464 0.000 1.191 188 I CB 1.333 39.138 38.000 -0.326 0.000 1.343 188 I HN 0.469 nan 8.210 nan 0.000 0.458 189 P HA 0.111 nan 4.420 nan 0.000 0.281 189 P C -1.060 176.134 177.300 -0.176 0.000 1.249 189 P CA -0.365 62.690 63.100 -0.077 0.000 0.810 189 P CB 1.036 32.883 31.700 0.245 0.000 1.008 190 D N 3.467 123.761 120.400 -0.177 0.000 2.371 190 D HA 0.064 4.706 4.640 0.004 0.000 0.256 190 D C -1.212 174.989 176.300 -0.166 0.000 1.193 190 D CA -1.808 52.051 54.000 -0.235 0.000 0.881 190 D CB 0.437 41.056 40.800 -0.301 0.000 1.143 190 D HN 0.145 nan 8.370 nan 0.000 0.473 191 P HA -0.210 nan 4.420 nan 0.000 0.219 191 P C 0.763 177.986 177.300 -0.128 0.000 1.146 191 P CA 1.180 64.206 63.100 -0.125 0.000 0.808 191 P CB 0.129 31.753 31.700 -0.126 0.000 0.779 192 Q N -1.109 118.575 119.800 -0.193 0.000 2.500 192 Q HA 0.050 4.393 4.340 0.004 0.000 0.213 192 Q C 1.452 177.403 176.000 -0.081 0.000 0.974 192 Q CA 1.053 56.731 55.803 -0.208 0.000 0.918 192 Q CB -0.482 28.019 28.738 -0.396 0.000 0.980 192 Q HN 0.344 nan 8.270 nan 0.000 0.505 193 G N 1.064 109.834 108.800 -0.049 0.000 2.157 193 G HA2 -0.255 3.708 3.960 0.004 0.000 0.248 193 G HA3 -0.255 3.708 3.960 0.004 0.000 0.248 193 G C 0.029 174.953 174.900 0.041 0.000 0.979 193 G CA 0.224 45.337 45.100 0.023 0.000 0.650 193 G HN 0.284 nan 8.290 nan 0.000 0.529 194 S N 1.688 117.370 115.700 -0.029 0.000 2.752 194 S HA 0.265 4.737 4.470 0.004 0.000 0.329 194 S C 1.060 175.640 174.600 -0.033 0.000 1.204 194 S CA 0.561 58.669 58.200 -0.153 0.000 1.252 194 S CB -0.079 62.871 63.200 -0.417 0.000 1.053 194 S HN 0.919 nan 8.310 nan 0.000 0.533 195 N N 3.154 121.888 118.700 0.056 0.000 2.328 195 N HA 0.212 4.954 4.740 0.004 0.000 0.277 195 N C 1.012 176.630 175.510 0.180 0.000 1.286 195 N CA -0.604 52.528 53.050 0.138 0.000 0.949 195 N CB 0.070 38.664 38.487 0.179 0.000 1.136 195 N HN 0.204 nan 8.380 nan 0.000 0.550 196 M N -0.995 118.715 119.600 0.184 0.000 2.229 196 M HA 0.019 4.501 4.480 0.004 0.000 0.264 196 M C 1.457 177.851 176.300 0.157 0.000 1.063 196 M CA 1.121 56.456 55.300 0.058 0.000 1.114 196 M CB -1.036 31.559 32.600 -0.008 0.000 1.387 196 M HN 0.541 nan 8.290 nan 0.000 0.420 197 M N -0.138 119.672 119.600 0.349 0.000 2.399 197 M HA -0.248 4.234 4.480 0.004 0.000 0.263 197 M C 2.246 178.974 176.300 0.713 0.000 1.067 197 M CA 1.820 57.433 55.300 0.522 0.000 1.084 197 M CB -1.743 31.132 32.600 0.458 0.000 1.252 197 M HN 0.269 nan 8.290 nan 0.000 0.454 198 F N 0.573 120.846 119.950 0.538 0.000 2.048 198 F HA -0.360 4.170 4.527 0.004 0.000 0.296 198 F C 2.176 178.092 175.800 0.192 0.000 1.109 198 F CA 2.773 60.862 58.000 0.148 0.000 1.214 198 F CB -0.697 38.208 39.000 -0.158 0.000 0.963 198 F HN 0.240 nan 8.300 nan 0.000 0.491 199 A N 0.633 123.777 122.820 0.539 0.000 1.859 199 A HA -0.295 4.027 4.320 0.004 0.000 0.218 199 A C 2.061 179.768 177.584 0.204 0.000 1.242 199 A CA 2.294 54.523 52.037 0.320 0.000 0.661 199 A CB -1.767 17.252 19.000 0.032 0.000 0.842 199 A HN 0.485 nan 8.150 nan 0.000 0.455 200 F N -1.296 118.821 119.950 0.278 0.000 2.192 200 F HA -0.136 4.394 4.527 0.004 0.000 0.301 200 F C 1.950 178.001 175.800 0.419 0.000 1.079 200 F CA 1.038 59.207 58.000 0.282 0.000 1.303 200 F CB -0.949 38.154 39.000 0.172 0.000 1.024 200 F HN 0.366 nan 8.300 nan 0.000 0.494 201 F N 0.326 120.587 119.950 0.518 0.000 1.990 201 F HA -0.115 4.414 4.527 0.004 0.000 0.294 201 F C 2.534 178.391 175.800 0.096 0.000 1.177 201 F CA 1.718 59.713 58.000 -0.007 0.000 1.167 201 F CB -0.943 38.061 39.000 0.007 0.000 0.971 201 F HN -0.088 nan 8.300 nan 0.000 0.483 202 A N 0.148 123.315 122.820 0.578 0.000 1.935 202 A HA -0.474 3.849 4.320 0.004 0.000 0.224 202 A C 2.053 179.822 177.584 0.309 0.000 1.324 202 A CA 2.892 55.275 52.037 0.576 0.000 0.686 202 A CB -1.679 17.538 19.000 0.361 0.000 0.837 202 A HN 0.748 nan 8.150 nan 0.000 0.481 203 Q N -1.410 118.542 119.800 0.253 0.000 1.956 203 Q HA -0.283 4.060 4.340 0.004 0.000 0.208 203 Q C 2.152 178.079 176.000 -0.122 0.000 0.998 203 Q CA 2.411 58.279 55.803 0.109 0.000 0.855 203 Q CB -0.576 28.248 28.738 0.143 0.000 0.928 203 Q HN 0.833 nan 8.270 nan 0.000 0.418 204 H N -0.594 118.338 119.070 -0.229 0.000 2.265 204 H HA -0.206 4.353 4.556 0.004 0.000 0.295 204 H C 1.956 177.085 175.328 -0.333 0.000 1.084 204 H CA 2.114 57.921 56.048 -0.401 0.000 1.261 204 H CB -0.666 28.876 29.762 -0.367 0.000 1.360 204 H HN 0.471 nan 8.280 nan 0.000 0.487 205 F N 2.278 121.991 119.950 -0.395 0.000 2.011 205 F HA -0.268 4.261 4.527 0.003 0.000 0.296 205 F C 2.946 178.351 175.800 -0.658 0.000 1.144 205 F CA 3.171 60.862 58.000 -0.515 0.000 1.185 205 F CB -1.258 37.513 39.000 -0.382 0.000 0.961 205 F HN 0.322 nan 8.300 nan 0.000 0.485 206 T N -2.452 111.610 114.554 -0.820 0.000 2.896 206 T HA -0.298 4.054 4.350 0.004 0.000 0.270 206 T C 1.549 175.434 174.700 -1.357 0.000 1.104 206 T CA 1.894 63.087 62.100 -1.512 0.000 1.115 206 T CB -1.127 67.461 68.868 -0.466 0.000 0.843 206 T HN 0.484 nan 8.240 nan 0.000 0.523 207 H N 1.795 120.337 119.070 -0.880 0.000 2.563 207 H HA 0.118 4.676 4.556 0.004 0.000 0.272 207 H C 2.316 177.289 175.328 -0.593 0.000 1.005 207 H CA 0.848 56.578 56.048 -0.531 0.000 1.171 207 H CB -0.093 29.649 29.762 -0.034 0.000 1.351 207 H HN 0.792 nan 8.280 nan 0.000 0.602 208 Q N -0.942 118.379 119.800 -0.798 0.000 2.159 208 Q HA -0.028 4.314 4.340 0.004 0.000 0.194 208 Q C 1.399 177.144 176.000 -0.425 0.000 0.968 208 Q CA 0.720 56.262 55.803 -0.435 0.000 0.837 208 Q CB -0.484 28.200 28.738 -0.090 0.000 0.920 208 Q HN 0.346 nan 8.270 nan 0.000 0.485 209 F N 1.721 121.338 119.950 -0.555 0.000 2.031 209 F HA 0.047 4.576 4.527 0.003 0.000 0.295 209 F C 0.850 176.352 175.800 -0.496 0.000 1.133 209 F CA -0.307 57.333 58.000 -0.600 0.000 1.188 209 F CB -1.450 37.054 39.000 -0.827 0.000 0.974 209 F HN -0.146 nan 8.300 nan 0.000 0.473 210 F N 1.559 121.341 119.950 -0.280 0.000 2.504 210 F HA 0.404 4.933 4.527 0.004 0.000 0.369 210 F C 0.745 176.357 175.800 -0.314 0.000 1.082 210 F CA -0.591 57.289 58.000 -0.200 0.000 1.216 210 F CB 0.145 38.886 39.000 -0.430 0.000 1.108 210 F HN 0.037 nan 8.300 nan 0.000 0.554 211 K N 0.682 121.089 120.400 0.012 0.000 3.066 211 K HA 0.052 4.375 4.320 0.004 0.000 0.168 211 K C -0.580 175.980 176.600 -0.067 0.000 1.076 211 K CA -0.180 56.032 56.287 -0.124 0.000 1.082 211 K CB 0.558 32.945 32.500 -0.188 0.000 0.700 211 K HN 0.645 nan 8.250 nan 0.000 0.403 212 T N 1.941 116.524 114.554 0.047 0.000 2.657 212 T HA -0.183 4.169 4.350 0.004 0.000 0.245 212 T C -0.034 174.525 174.700 -0.236 0.000 1.021 212 T CA 0.816 62.895 62.100 -0.034 0.000 1.155 212 T CB 0.032 68.817 68.868 -0.139 0.000 1.022 212 T HN 0.185 nan 8.240 nan 0.000 0.477 213 D N 1.459 121.773 120.400 -0.144 0.000 2.428 213 D HA 0.192 4.834 4.640 0.004 0.000 0.221 213 D C 0.828 177.083 176.300 -0.074 0.000 1.123 213 D CA -0.531 53.422 54.000 -0.079 0.000 0.869 213 D CB 0.441 41.225 40.800 -0.027 0.000 1.032 213 D HN 0.592 nan 8.370 nan 0.000 0.506 214 H N 2.470 121.583 119.070 0.071 0.000 2.423 214 H HA -0.033 4.525 4.556 0.004 0.000 0.297 214 H C 1.692 177.064 175.328 0.073 0.000 1.075 214 H CA 1.059 57.150 56.048 0.072 0.000 1.342 214 H CB 0.415 30.203 29.762 0.043 0.000 1.395 214 H HN 0.345 nan 8.280 nan 0.000 0.530 215 K N 0.800 121.290 120.400 0.151 0.000 2.113 215 K HA -0.174 4.149 4.320 0.004 0.000 0.208 215 K C 1.957 178.609 176.600 0.086 0.000 1.047 215 K CA 1.240 57.581 56.287 0.090 0.000 0.928 215 K CB -0.107 32.419 32.500 0.043 0.000 0.716 215 K HN 0.381 nan 8.250 nan 0.000 0.446 216 R N 0.210 120.769 120.500 0.098 0.000 2.052 216 R HA 0.043 4.385 4.340 0.004 0.000 0.224 216 R C 1.098 177.635 176.300 0.395 0.000 1.149 216 R CA 1.025 57.202 56.100 0.127 0.000 0.962 216 R CB 0.290 30.559 30.300 -0.053 0.000 0.856 216 R HN 0.331 nan 8.270 nan 0.000 0.433 217 G N -1.824 107.215 108.800 0.398 0.000 2.320 217 G HA2 0.056 4.018 3.960 0.004 0.000 0.297 217 G HA3 0.056 4.018 3.960 0.004 0.000 0.297 217 G C -2.664 172.225 174.900 -0.018 0.000 1.344 217 G CA -0.948 44.262 45.100 0.184 0.000 0.851 217 G HN -0.180 nan 8.290 nan 0.000 0.567 218 P HA 0.085 nan 4.420 nan 0.000 0.220 218 P C 1.872 179.083 177.300 -0.148 0.000 1.152 218 P CA 1.659 64.696 63.100 -0.106 0.000 0.812 218 P CB 0.136 31.801 31.700 -0.058 0.000 0.792 219 G N -1.490 107.081 108.800 -0.382 0.000 2.572 219 G HA2 -0.046 3.916 3.960 0.004 0.000 0.216 219 G HA3 -0.046 3.916 3.960 0.004 0.000 0.216 219 G C 0.140 174.928 174.900 -0.186 0.000 1.133 219 G CA -0.044 44.833 45.100 -0.371 0.000 0.791 219 G HN 0.203 nan 8.290 nan 0.000 0.538 220 F N 0.686 120.664 119.950 0.047 0.000 2.408 220 F HA 0.487 5.016 4.527 0.005 0.000 0.344 220 F C 0.786 176.429 175.800 -0.261 0.000 1.112 220 F CA -0.951 56.971 58.000 -0.130 0.000 1.096 220 F CB 1.769 40.649 39.000 -0.200 0.000 1.129 220 F HN -0.158 nan 8.300 nan 0.000 0.486 221 T N 1.519 115.794 114.554 -0.464 0.000 2.943 221 T HA 0.373 4.725 4.350 0.004 0.000 0.284 221 T C 0.747 175.290 174.700 -0.263 0.000 1.015 221 T CA -0.577 61.135 62.100 -0.647 0.000 1.042 221 T CB 1.518 69.646 68.868 -1.233 0.000 1.055 221 T HN 0.789 nan 8.240 nan 0.000 0.500 222 R N 0.892 121.266 120.500 -0.210 0.000 2.373 222 R HA 0.260 4.602 4.340 0.004 0.000 0.221 222 R C 1.168 177.392 176.300 -0.125 0.000 0.893 222 R CA -0.030 55.991 56.100 -0.132 0.000 1.049 222 R CB 0.400 30.634 30.300 -0.110 0.000 1.119 222 R HN 0.754 nan 8.270 nan 0.000 0.535 223 G N 1.095 109.794 108.800 -0.168 0.000 2.770 223 G HA2 0.203 4.165 3.960 0.004 0.000 0.307 223 G HA3 0.203 4.165 3.960 0.004 0.000 0.307 223 G C 0.615 175.498 174.900 -0.029 0.000 0.863 223 G CA -0.361 44.662 45.100 -0.128 0.000 1.595 223 G HN 0.125 nan 8.290 nan 0.000 0.496 224 L N 2.200 123.442 121.223 0.032 0.000 2.362 224 L HA 0.018 4.360 4.340 0.004 0.000 0.219 224 L C 2.852 179.805 176.870 0.138 0.000 1.134 224 L CA 0.862 55.781 54.840 0.132 0.000 0.807 224 L CB -0.006 42.041 42.059 -0.019 0.000 0.927 224 L HN 0.519 nan 8.230 nan 0.000 0.447 225 G N -1.596 107.237 108.800 0.055 0.000 2.479 225 G HA2 -0.250 3.712 3.960 0.004 0.000 0.220 225 G HA3 -0.250 3.712 3.960 0.004 0.000 0.220 225 G C 0.618 175.565 174.900 0.079 0.000 1.115 225 G CA 0.241 45.355 45.100 0.024 0.000 0.757 225 G HN 0.648 nan 8.290 nan 0.000 0.560 226 H N -0.112 118.887 119.070 -0.119 0.000 2.484 226 H HA -0.161 4.398 4.556 0.004 0.000 0.321 226 H C 1.154 176.389 175.328 -0.156 0.000 1.065 226 H CA 0.602 56.570 56.048 -0.133 0.000 1.118 226 H CB -1.300 28.378 29.762 -0.140 0.000 1.511 226 H HN 0.814 nan 8.280 nan 0.000 0.403 227 G N -1.545 107.206 108.800 -0.082 0.000 2.341 227 G HA2 0.162 4.124 3.960 0.004 0.000 0.293 227 G HA3 0.162 4.124 3.960 0.004 0.000 0.293 227 G C -0.680 174.169 174.900 -0.085 0.000 1.298 227 G CA -0.481 44.511 45.100 -0.179 0.000 0.868 227 G HN 0.252 nan 8.290 nan 0.000 0.540 228 V N 1.649 121.496 119.914 -0.111 0.000 2.416 228 V HA 0.305 4.427 4.120 0.004 0.000 0.260 228 V C 0.571 176.686 176.094 0.036 0.000 1.018 228 V CA 1.263 63.583 62.300 0.034 0.000 1.120 228 V CB 0.125 31.998 31.823 0.082 0.000 1.081 228 V HN 0.869 nan 8.190 nan 0.000 0.474 229 D N 3.461 123.881 120.400 0.033 0.000 2.556 229 D HA 0.094 4.737 4.640 0.004 0.000 0.237 229 D C 0.665 176.954 176.300 -0.018 0.000 1.296 229 D CA -0.538 53.469 54.000 0.012 0.000 0.807 229 D CB -0.318 40.481 40.800 -0.001 0.000 1.084 229 D HN 0.370 nan 8.370 nan 0.000 0.510 230 L N 0.850 122.010 121.223 -0.104 0.000 3.851 230 L HA -0.367 3.975 4.340 0.004 0.000 0.438 230 L C 1.072 177.666 176.870 -0.460 0.000 1.171 230 L CA 0.721 55.258 54.840 -0.506 0.000 0.895 230 L CB -2.233 39.603 42.059 -0.372 0.000 1.800 230 L HN 0.301 nan 8.230 nan 0.000 0.960 231 N N 0.493 119.056 118.700 -0.227 0.000 2.453 231 N HA -0.194 4.548 4.740 0.004 0.000 0.183 231 N C 1.486 176.841 175.510 -0.257 0.000 1.041 231 N CA 1.746 54.709 53.050 -0.145 0.000 0.900 231 N CB -0.282 38.151 38.487 -0.090 0.000 0.961 231 N HN 0.768 nan 8.380 nan 0.000 0.443 232 H N -1.783 117.099 119.070 -0.314 0.000 2.524 232 H HA 0.213 4.772 4.556 0.004 0.000 0.282 232 H C 1.472 176.552 175.328 -0.413 0.000 1.016 232 H CA 1.001 56.761 56.048 -0.479 0.000 1.270 232 H CB -0.146 29.240 29.762 -0.626 0.000 1.394 232 H HN 0.309 nan 8.280 nan 0.000 0.568 233 I N -0.718 119.418 120.570 -0.724 0.000 2.927 233 I HA -0.046 4.126 4.170 0.004 0.000 0.268 233 I C 0.685 176.411 176.117 -0.652 0.000 1.153 233 I CA 0.359 61.239 61.300 -0.701 0.000 1.459 233 I CB 0.238 37.567 38.000 -1.118 0.000 1.149 233 I HN 0.170 nan 8.210 nan 0.000 0.443 234 Y N 1.003 121.171 120.300 -0.220 0.000 2.531 234 Y HA 0.559 5.112 4.550 0.004 0.000 0.249 234 Y C 1.110 176.938 175.900 -0.121 0.000 1.168 234 Y CA -0.333 57.692 58.100 -0.126 0.000 1.226 234 Y CB -0.028 38.401 38.460 -0.052 0.000 1.177 234 Y HN 0.087 nan 8.280 nan 0.000 0.527 235 G N 0.737 109.505 108.800 -0.052 0.000 2.787 235 G HA2 -0.219 3.743 3.960 0.004 0.000 0.685 235 G HA3 -0.219 3.743 3.960 0.004 0.000 0.685 235 G C 0.407 175.269 174.900 -0.063 0.000 1.437 235 G CA -0.125 44.929 45.100 -0.077 0.000 0.872 235 G HN 0.217 nan 8.290 nan 0.000 0.566 236 E N -0.532 119.619 120.200 -0.082 0.000 2.075 236 E HA 0.027 4.379 4.350 0.004 0.000 0.190 236 E C 1.936 178.497 176.600 -0.065 0.000 0.969 236 E CA 1.464 57.821 56.400 -0.072 0.000 0.815 236 E CB -0.040 29.611 29.700 -0.082 0.000 0.776 236 E HN 0.909 nan 8.360 nan 0.000 0.457 237 T N -1.351 113.160 114.554 -0.071 0.000 2.913 237 T HA 0.236 4.589 4.350 0.004 0.000 0.287 237 T C 1.475 176.113 174.700 -0.104 0.000 1.008 237 T CA -0.499 61.557 62.100 -0.073 0.000 1.067 237 T CB 1.447 70.278 68.868 -0.061 0.000 0.996 237 T HN -0.049 nan 8.240 nan 0.000 0.513 238 L N 0.698 121.844 121.223 -0.129 0.000 2.012 238 L HA -0.113 4.229 4.340 0.004 0.000 0.210 238 L C 2.798 179.512 176.870 -0.259 0.000 1.073 238 L CA 1.689 56.370 54.840 -0.265 0.000 0.748 238 L CB -0.460 41.476 42.059 -0.205 0.000 0.891 238 L HN 0.871 nan 8.230 nan 0.000 0.431 239 D N -0.132 120.221 120.400 -0.078 0.000 2.154 239 D HA -0.296 4.346 4.640 0.004 0.000 0.190 239 D C 2.191 178.487 176.300 -0.007 0.000 1.003 239 D CA 1.856 55.862 54.000 0.010 0.000 0.849 239 D CB 0.046 40.849 40.800 0.005 0.000 0.942 239 D HN 0.230 nan 8.370 nan 0.000 0.446 240 R N 0.509 120.981 120.500 -0.048 0.000 2.088 240 R HA -0.246 4.097 4.340 0.004 0.000 0.232 240 R C 2.592 178.859 176.300 -0.057 0.000 1.136 240 R CA 2.462 58.534 56.100 -0.047 0.000 0.926 240 R CB -0.524 29.739 30.300 -0.063 0.000 0.837 240 R HN 0.187 nan 8.270 nan 0.000 0.429 241 Q N -0.491 119.248 119.800 -0.103 0.000 2.118 241 Q HA -0.286 4.056 4.340 0.004 0.000 0.211 241 Q C 1.794 177.699 176.000 -0.157 0.000 0.998 241 Q CA 2.320 58.052 55.803 -0.118 0.000 0.872 241 Q CB -0.543 28.075 28.738 -0.200 0.000 0.925 241 Q HN 0.572 nan 8.270 nan 0.000 0.414 242 H N 0.304 119.330 119.070 -0.073 0.000 2.423 242 H HA -0.001 4.558 4.556 0.004 0.000 0.297 242 H C 1.714 176.991 175.328 -0.086 0.000 1.075 242 H CA 1.681 57.701 56.048 -0.047 0.000 1.342 242 H CB 0.073 29.950 29.762 0.191 0.000 1.395 242 H HN 0.476 nan 8.280 nan 0.000 0.530 243 K N 0.321 120.766 120.400 0.076 0.000 2.217 243 K HA 0.023 4.345 4.320 0.004 0.000 0.202 243 K C 1.890 178.467 176.600 -0.039 0.000 1.051 243 K CA 0.545 56.851 56.287 0.031 0.000 0.952 243 K CB 0.170 32.686 32.500 0.026 0.000 0.736 243 K HN 0.174 nan 8.250 nan 0.000 0.453 244 L N 0.521 121.708 121.223 -0.060 0.000 2.599 244 L HA 0.059 4.402 4.340 0.004 0.000 0.230 244 L C 0.708 177.511 176.870 -0.111 0.000 1.141 244 L CA 0.089 54.893 54.840 -0.061 0.000 0.877 244 L CB -0.115 41.930 42.059 -0.024 0.000 1.009 244 L HN 0.040 nan 8.230 nan 0.000 0.447 245 R N 0.193 120.536 120.500 -0.262 0.000 2.486 245 R HA 0.224 4.566 4.340 0.004 0.000 0.286 245 R C 0.638 176.610 176.300 -0.545 0.000 0.999 245 R CA -0.402 55.397 56.100 -0.502 0.000 0.993 245 R CB 1.851 31.507 30.300 -1.072 0.000 1.084 245 R HN -0.061 nan 8.270 nan 0.000 0.487 246 L N 2.556 123.549 121.223 -0.383 0.000 2.463 246 L HA 0.279 4.622 4.340 0.004 0.000 0.219 246 L C -0.210 176.621 176.870 -0.065 0.000 1.088 246 L CA 0.818 55.538 54.840 -0.201 0.000 0.849 246 L CB 0.125 42.090 42.059 -0.157 0.000 1.012 246 L HN 0.776 nan 8.230 nan 0.000 0.468 247 F N 0.622 120.573 119.950 0.002 0.000 2.905 247 F HA -0.268 4.261 4.527 0.004 0.000 0.311 247 F C 0.180 175.985 175.800 0.008 0.000 1.005 247 F CA 0.693 58.685 58.000 -0.013 0.000 1.029 247 F CB -1.516 37.448 39.000 -0.060 0.000 1.151 247 F HN 0.233 nan 8.300 nan 0.000 0.805 248 K N 0.374 120.875 120.400 0.168 0.000 2.582 248 K HA 0.306 4.628 4.320 0.004 0.000 0.259 248 K C -0.318 176.363 176.600 0.135 0.000 0.973 248 K CA -0.704 55.659 56.287 0.127 0.000 0.880 248 K CB 1.263 33.808 32.500 0.076 0.000 1.310 248 K HN 0.178 nan 8.250 nan 0.000 0.443 249 D N 1.796 122.287 120.400 0.152 0.000 2.955 249 D HA -0.214 4.428 4.640 0.004 0.000 0.226 249 D C 0.663 177.091 176.300 0.213 0.000 1.178 249 D CA 1.583 55.683 54.000 0.168 0.000 0.808 249 D CB -1.186 39.694 40.800 0.133 0.000 1.099 249 D HN 1.010 nan 8.370 nan 0.000 0.421 250 G N -0.571 108.382 108.800 0.255 0.000 2.258 250 G HA2 -0.432 3.530 3.960 0.004 0.000 0.274 250 G HA3 -0.432 3.530 3.960 0.004 0.000 0.274 250 G C 0.214 175.384 174.900 0.451 0.000 1.021 250 G CA 0.847 46.174 45.100 0.378 0.000 0.798 250 G HN 0.522 nan 8.290 nan 0.000 0.507 251 K N -0.868 119.709 120.400 0.295 0.000 2.144 251 K HA 0.615 4.938 4.320 0.004 0.000 0.270 251 K C 0.723 177.427 176.600 0.174 0.000 1.005 251 K CA -0.775 55.690 56.287 0.296 0.000 0.932 251 K CB 1.066 33.661 32.500 0.158 0.000 1.021 251 K HN 0.154 nan 8.250 nan 0.000 0.462 252 L N 3.021 124.340 121.223 0.160 0.000 2.349 252 L HA 0.138 4.480 4.340 0.004 0.000 0.275 252 L C 0.378 177.227 176.870 -0.034 0.000 1.115 252 L CA -0.150 54.701 54.840 0.018 0.000 0.820 252 L CB 0.626 42.662 42.059 -0.039 0.000 1.135 252 L HN 0.389 nan 8.230 nan 0.000 0.445 253 K N 3.296 123.638 120.400 -0.095 0.000 2.524 253 K HA 0.042 4.365 4.320 0.004 0.000 0.279 253 K C -0.787 175.798 176.600 -0.025 0.000 0.993 253 K CA 0.442 56.648 56.287 -0.135 0.000 1.030 253 K CB 0.412 32.854 32.500 -0.097 0.000 0.891 253 K HN 0.393 nan 8.250 nan 0.000 0.488 254 Y N -0.651 119.642 120.300 -0.012 0.000 3.048 254 Y HA 0.475 5.027 4.550 0.004 0.000 0.305 254 Y C -0.999 174.882 175.900 -0.031 0.000 1.538 254 Y CA -1.583 56.501 58.100 -0.027 0.000 1.082 254 Y CB 0.713 39.170 38.460 -0.005 0.000 1.388 254 Y HN 0.607 nan 8.280 nan 0.000 0.557 255 Q N 0.118 120.148 119.800 0.383 0.000 2.438 255 Q HA 0.660 5.002 4.340 0.004 0.000 0.272 255 Q C -2.568 173.474 176.000 0.071 0.000 0.994 255 Q CA -1.003 54.929 55.803 0.215 0.000 0.887 255 Q CB 2.278 31.060 28.738 0.074 0.000 1.432 255 Q HN 0.600 nan 8.270 nan 0.000 0.392 256 V N 4.244 124.200 119.914 0.070 0.000 2.347 256 V HA 0.497 4.619 4.120 0.004 0.000 0.280 256 V C -0.398 175.757 176.094 0.102 0.000 1.021 256 V CA -0.393 61.927 62.300 0.033 0.000 0.847 256 V CB 1.074 32.890 31.823 -0.012 0.000 0.990 256 V HN 0.683 nan 8.190 nan 0.000 0.444 257 I N 3.673 124.355 120.570 0.186 0.000 2.406 257 I HA 0.496 4.668 4.170 0.004 0.000 0.290 257 I C 1.154 177.370 176.117 0.166 0.000 0.999 257 I CA -0.648 60.752 61.300 0.166 0.000 1.124 257 I CB 1.603 39.691 38.000 0.148 0.000 1.289 257 I HN 0.785 nan 8.210 nan 0.000 0.441 258 G N 4.355 113.216 108.800 0.101 0.000 2.390 258 G HA2 -0.158 3.804 3.960 0.004 0.000 0.299 258 G HA3 -0.158 3.804 3.960 0.004 0.000 0.299 258 G C 1.010 175.955 174.900 0.076 0.000 1.002 258 G CA 0.714 45.865 45.100 0.085 0.000 0.979 258 G HN 1.589 nan 8.290 nan 0.000 0.513 259 G N -1.795 107.037 108.800 0.054 0.000 2.166 259 G HA2 -0.231 3.731 3.960 0.004 0.000 0.260 259 G HA3 -0.231 3.731 3.960 0.004 0.000 0.260 259 G C 0.093 174.989 174.900 -0.007 0.000 0.986 259 G CA 1.011 46.123 45.100 0.020 0.000 0.683 259 G HN 0.920 nan 8.290 nan 0.000 0.527 260 E N -0.720 119.492 120.200 0.019 0.000 2.277 260 E HA 0.550 4.903 4.350 0.004 0.000 0.266 260 E C 0.018 176.495 176.600 -0.205 0.000 0.901 260 E CA -0.823 55.517 56.400 -0.099 0.000 0.782 260 E CB 2.249 31.914 29.700 -0.060 0.000 1.228 260 E HN 0.102 nan 8.360 nan 0.000 0.424 261 V N 3.349 123.021 119.914 -0.402 0.000 2.455 261 V HA 0.217 4.340 4.120 0.004 0.000 0.273 261 V C -0.684 175.084 176.094 -0.544 0.000 1.045 261 V CA 0.080 62.121 62.300 -0.433 0.000 0.976 261 V CB -0.475 31.101 31.823 -0.411 0.000 0.993 261 V HN 0.506 nan 8.190 nan 0.000 0.475 262 Y N 4.664 124.879 120.300 -0.142 0.000 2.581 262 Y HA 0.475 5.027 4.550 0.004 0.000 0.345 262 Y C -2.260 173.498 175.900 -0.237 0.000 1.036 262 Y CA -2.601 55.413 58.100 -0.144 0.000 1.042 262 Y CB 2.491 40.879 38.460 -0.119 0.000 1.289 262 Y HN 0.430 nan 8.280 nan 0.000 0.471 263 P HA -0.007 nan 4.420 nan 0.000 0.270 263 P C -2.614 174.441 177.300 -0.407 0.000 1.221 263 P CA -0.592 62.380 63.100 -0.214 0.000 0.788 263 P CB -0.012 31.586 31.700 -0.169 0.000 0.904 264 P HA 0.156 nan 4.420 nan 0.000 0.283 264 P C -0.578 176.643 177.300 -0.131 0.000 1.278 264 P CA -0.401 62.607 63.100 -0.153 0.000 0.834 264 P CB 0.332 32.009 31.700 -0.037 0.000 1.150 265 T N -1.794 112.739 114.554 -0.034 0.000 2.868 265 T HA 0.117 4.470 4.350 0.004 0.000 0.292 265 T C 1.258 176.003 174.700 0.075 0.000 1.028 265 T CA -0.315 61.827 62.100 0.071 0.000 1.059 265 T CB -0.178 68.745 68.868 0.092 0.000 0.991 265 T HN 0.054 nan 8.240 nan 0.000 0.531 266 V N 2.954 122.940 119.914 0.120 0.000 2.667 266 V HA -0.006 4.116 4.120 0.004 0.000 0.252 266 V C 2.685 178.815 176.094 0.059 0.000 1.065 266 V CA 1.773 64.122 62.300 0.081 0.000 1.083 266 V CB -0.790 31.094 31.823 0.102 0.000 0.692 266 V HN 0.972 nan 8.190 nan 0.000 0.468 267 K N -0.008 120.433 120.400 0.068 0.000 2.486 267 K HA -0.126 4.197 4.320 0.004 0.000 0.194 267 K C 0.749 177.372 176.600 0.039 0.000 1.033 267 K CA 1.184 57.502 56.287 0.051 0.000 1.004 267 K CB 0.077 32.610 32.500 0.055 0.000 0.798 267 K HN 0.482 nan 8.250 nan 0.000 0.495 268 D N -0.899 119.523 120.400 0.037 0.000 2.449 268 D HA -0.038 4.605 4.640 0.004 0.000 0.210 268 D C 1.338 177.651 176.300 0.021 0.000 1.094 268 D CA 0.686 54.703 54.000 0.028 0.000 0.846 268 D CB 0.943 41.760 40.800 0.027 0.000 1.003 268 D HN 0.312 nan 8.370 nan 0.000 0.504 269 T N -2.895 111.671 114.554 0.020 0.000 2.975 269 T HA 0.075 4.428 4.350 0.004 0.000 0.261 269 T C 0.775 175.484 174.700 0.014 0.000 0.984 269 T CA -0.014 62.094 62.100 0.014 0.000 0.911 269 T CB 0.657 69.526 68.868 0.002 0.000 1.127 269 T HN -0.267 nan 8.240 nan 0.000 0.514 270 Q N 0.349 120.158 119.800 0.016 0.000 2.332 270 Q HA -0.132 4.210 4.340 0.004 0.000 0.222 270 Q C 0.183 176.181 176.000 -0.002 0.000 0.758 270 Q CA 0.736 56.546 55.803 0.010 0.000 1.355 270 Q CB -2.697 26.048 28.738 0.012 0.000 1.705 270 Q HN 0.632 nan 8.270 nan 0.000 0.638 271 V N 1.509 121.418 119.914 -0.007 0.000 3.032 271 V HA -0.059 4.064 4.120 0.004 0.000 0.307 271 V C 1.060 177.127 176.094 -0.046 0.000 1.097 271 V CA 0.338 62.622 62.300 -0.027 0.000 1.191 271 V CB 0.781 32.585 31.823 -0.031 0.000 0.964 271 V HN 0.113 nan 8.190 nan 0.000 0.494 272 E N 4.216 124.377 120.200 -0.065 0.000 2.180 272 E HA 0.306 4.658 4.350 0.004 0.000 0.283 272 E C -0.553 175.963 176.600 -0.141 0.000 1.061 272 E CA -0.116 56.232 56.400 -0.087 0.000 0.861 272 E CB 0.948 30.602 29.700 -0.077 0.000 1.056 272 E HN 0.338 nan 8.360 nan 0.000 0.407 273 M N 3.152 122.634 119.600 -0.197 0.000 2.327 273 M HA 0.412 4.894 4.480 0.004 0.000 0.298 273 M C -0.254 175.788 176.300 -0.430 0.000 1.065 273 M CA -0.912 54.163 55.300 -0.376 0.000 0.916 273 M CB 1.537 33.803 32.600 -0.557 0.000 1.630 273 M HN 0.293 nan 8.290 nan 0.000 0.442 274 I N 3.848 124.178 120.570 -0.399 0.000 2.347 274 I HA 0.240 4.412 4.170 0.004 0.000 0.294 274 I C -1.049 174.928 176.117 -0.234 0.000 1.090 274 I CA -0.231 60.919 61.300 -0.250 0.000 1.314 274 I CB -0.374 37.544 38.000 -0.137 0.000 1.423 274 I HN 0.356 nan 8.210 nan 0.000 0.503 275 Y N 6.389 126.610 120.300 -0.133 0.000 2.553 275 Y HA 0.564 5.116 4.550 0.004 0.000 0.347 275 Y C -2.287 173.469 175.900 -0.241 0.000 1.019 275 Y CA -3.151 54.831 58.100 -0.197 0.000 1.032 275 Y CB 1.611 39.986 38.460 -0.141 0.000 1.284 275 Y HN 0.409 nan 8.280 nan 0.000 0.466 276 P HA 0.338 nan 4.420 nan 0.000 0.290 276 P C -2.370 174.710 177.300 -0.367 0.000 1.276 276 P CA -1.679 61.250 63.100 -0.284 0.000 0.808 276 P CB 1.429 32.915 31.700 -0.356 0.000 0.966 277 P HA -0.298 nan 4.420 nan 0.000 0.226 277 P C 1.455 178.729 177.300 -0.044 0.000 1.154 277 P CA 1.975 65.051 63.100 -0.040 0.000 0.918 277 P CB -0.450 31.294 31.700 0.074 0.000 0.790 278 H N -1.358 117.723 119.070 0.019 0.000 2.389 278 H HA -0.036 4.522 4.556 0.004 0.000 0.299 278 H C 1.021 176.338 175.328 -0.018 0.000 1.081 278 H CA 0.346 56.399 56.048 0.008 0.000 1.345 278 H CB -1.512 28.262 29.762 0.019 0.000 1.393 278 H HN 0.076 nan 8.280 nan 0.000 0.520 279 I N 4.898 125.313 120.570 -0.257 0.000 3.089 279 I HA -0.090 4.082 4.170 0.004 0.000 0.321 279 I C -1.967 174.083 176.117 -0.111 0.000 1.222 279 I CA -0.984 60.188 61.300 -0.214 0.000 1.452 279 I CB -0.588 37.167 38.000 -0.408 0.000 1.321 279 I HN 0.161 nan 8.210 nan 0.000 0.539 280 P HA 0.214 nan 4.420 nan 0.000 0.279 280 P C 0.484 177.771 177.300 -0.022 0.000 1.239 280 P CA -0.438 62.643 63.100 -0.032 0.000 0.789 280 P CB 1.068 32.756 31.700 -0.020 0.000 0.933 281 E N 1.670 121.881 120.200 0.019 0.000 2.097 281 E HA -0.247 4.106 4.350 0.004 0.000 0.196 281 E C 1.667 178.315 176.600 0.079 0.000 1.000 281 E CA 1.601 58.034 56.400 0.055 0.000 0.804 281 E CB -0.255 29.478 29.700 0.055 0.000 0.740 281 E HN 0.592 nan 8.360 nan 0.000 0.454 282 N N 0.704 119.439 118.700 0.059 0.000 2.513 282 N HA -0.186 4.556 4.740 0.004 0.000 0.187 282 N C 1.462 177.043 175.510 0.117 0.000 1.056 282 N CA 0.936 54.035 53.050 0.083 0.000 0.907 282 N CB 0.007 38.523 38.487 0.050 0.000 0.954 282 N HN 0.276 nan 8.380 nan 0.000 0.445 283 L N -0.408 120.837 121.223 0.038 0.000 2.672 283 L HA 0.146 4.489 4.340 0.004 0.000 0.236 283 L C 0.388 177.191 176.870 -0.110 0.000 1.092 283 L CA -0.058 54.714 54.840 -0.113 0.000 0.887 283 L CB 0.142 42.048 42.059 -0.254 0.000 1.168 283 L HN 0.004 nan 8.230 nan 0.000 0.502 284 Q N 1.718 121.559 119.800 0.069 0.000 2.320 284 Q HA 0.116 4.458 4.340 0.004 0.000 0.262 284 Q C -0.709 175.693 176.000 0.671 0.000 1.225 284 Q CA 0.387 56.381 55.803 0.319 0.000 0.916 284 Q CB -0.143 28.797 28.738 0.337 0.000 1.417 284 Q HN 0.252 nan 8.270 nan 0.000 0.462 285 F N 0.883 121.076 119.950 0.405 0.000 2.399 285 F HA 0.382 4.912 4.527 0.004 0.000 0.342 285 F C 0.673 176.571 175.800 0.163 0.000 1.106 285 F CA -1.109 57.036 58.000 0.241 0.000 1.196 285 F CB 0.946 40.063 39.000 0.194 0.000 1.163 285 F HN 0.423 nan 8.300 nan 0.000 0.547 286 A N 3.643 126.575 122.820 0.187 0.000 2.287 286 A HA 0.726 5.048 4.320 0.004 0.000 0.317 286 A C -0.826 176.781 177.584 0.038 0.000 1.220 286 A CA -0.496 51.579 52.037 0.063 0.000 0.835 286 A CB 1.177 20.190 19.000 0.023 0.000 1.180 286 A HN 0.694 nan 8.150 nan 0.000 0.500 287 V N 0.019 119.942 119.914 0.014 0.000 3.232 287 V HA 0.841 4.963 4.120 0.004 0.000 0.303 287 V C 1.017 177.057 176.094 -0.090 0.000 1.311 287 V CA 0.033 62.332 62.300 -0.001 0.000 1.061 287 V CB 1.056 32.939 31.823 0.100 0.000 1.085 287 V HN 1.374 nan 8.190 nan 0.000 0.447 288 G N 0.013 108.731 108.800 -0.138 0.000 2.606 288 G HA2 -0.183 3.779 3.960 0.004 0.000 0.221 288 G HA3 -0.183 3.779 3.960 0.004 0.000 0.221 288 G C 0.696 175.433 174.900 -0.272 0.000 1.152 288 G CA 1.323 46.298 45.100 -0.208 0.000 0.765 288 G HN 0.824 nan 8.290 nan 0.000 0.595 289 Q N 0.430 119.975 119.800 -0.424 0.000 2.278 289 Q HA 0.185 4.527 4.340 0.004 0.000 0.257 289 Q C 1.466 177.259 176.000 -0.346 0.000 0.928 289 Q CA -0.123 55.323 55.803 -0.596 0.000 0.932 289 Q CB 1.538 29.362 28.738 -1.522 0.000 1.221 289 Q HN 0.770 nan 8.270 nan 0.000 0.434 290 E N 1.922 121.975 120.200 -0.245 0.000 2.204 290 E HA -0.134 4.219 4.350 0.004 0.000 0.194 290 E C 1.314 177.829 176.600 -0.143 0.000 0.989 290 E CA 0.760 57.048 56.400 -0.186 0.000 0.824 290 E CB 0.095 29.699 29.700 -0.160 0.000 0.756 290 E HN 0.302 nan 8.360 nan 0.000 0.477 291 V N 0.394 120.283 119.914 -0.042 0.000 2.649 291 V HA -0.133 3.989 4.120 0.004 0.000 0.248 291 V C 1.430 177.687 176.094 0.271 0.000 1.054 291 V CA 0.773 63.134 62.300 0.102 0.000 1.073 291 V CB -0.562 31.374 31.823 0.189 0.000 0.699 291 V HN 0.160 nan 8.190 nan 0.000 0.463 292 F N 1.699 121.660 119.950 0.018 0.000 2.406 292 F HA -0.146 4.383 4.527 0.004 0.000 0.297 292 F C 2.177 178.023 175.800 0.075 0.000 1.059 292 F CA 1.067 59.092 58.000 0.043 0.000 1.458 292 F CB -1.580 37.452 39.000 0.054 0.000 1.107 292 F HN 0.298 nan 8.300 nan 0.000 0.582 293 G N -0.478 108.506 108.800 0.307 0.000 2.464 293 G HA2 -0.083 3.879 3.960 0.004 0.000 0.217 293 G HA3 -0.083 3.879 3.960 0.004 0.000 0.217 293 G C 1.546 176.618 174.900 0.287 0.000 1.138 293 G CA 0.014 45.393 45.100 0.465 0.000 0.793 293 G HN 0.390 nan 8.290 nan 0.000 0.539 294 L N 0.665 122.031 121.223 0.238 0.000 2.675 294 L HA 0.185 4.527 4.340 0.004 0.000 0.238 294 L C -0.236 176.708 176.870 0.123 0.000 1.155 294 L CA -0.037 54.959 54.840 0.260 0.000 0.881 294 L CB 0.102 42.302 42.059 0.235 0.000 1.008 294 L HN -0.070 nan 8.230 nan 0.000 0.443 295 V N -0.629 119.235 119.914 -0.084 0.000 2.501 295 V HA 0.191 4.313 4.120 0.004 0.000 0.277 295 V C -1.742 174.021 176.094 -0.552 0.000 1.004 295 V CA -0.809 61.285 62.300 -0.342 0.000 0.862 295 V CB 1.734 33.397 31.823 -0.266 0.000 1.035 295 V HN -0.099 nan 8.190 nan 0.000 0.448 296 P HA -0.167 nan 4.420 nan 0.000 0.219 296 P C 1.620 178.494 177.300 -0.709 0.000 1.144 296 P CA 1.748 64.444 63.100 -0.674 0.000 0.806 296 P CB 0.334 31.621 31.700 -0.688 0.000 0.771 297 G N -0.674 107.467 108.800 -1.098 0.000 2.414 297 G HA2 -0.194 3.769 3.960 0.004 0.000 0.215 297 G HA3 -0.194 3.769 3.960 0.004 0.000 0.215 297 G C 1.308 175.614 174.900 -0.991 0.000 1.188 297 G CA 0.418 44.493 45.100 -1.708 0.000 0.783 297 G HN 0.118 nan 8.290 nan 0.000 0.537 298 L N 0.102 120.898 121.223 -0.713 0.000 1.943 298 L HA -0.008 4.334 4.340 0.004 0.000 0.215 298 L C 2.816 179.570 176.870 -0.192 0.000 1.074 298 L CA 2.056 56.648 54.840 -0.413 0.000 0.759 298 L CB -1.174 40.501 42.059 -0.640 0.000 0.888 298 L HN 0.257 nan 8.230 nan 0.000 0.433 299 M N -0.949 118.553 119.600 -0.164 0.000 2.128 299 M HA -0.315 4.167 4.480 0.004 0.000 0.253 299 M C 2.250 178.540 176.300 -0.016 0.000 1.079 299 M CA 1.991 57.295 55.300 0.007 0.000 1.082 299 M CB -0.607 31.956 32.600 -0.060 0.000 1.335 299 M HN 0.388 nan 8.290 nan 0.000 0.401 300 M N -1.415 118.045 119.600 -0.233 0.000 2.082 300 M HA -0.291 4.191 4.480 0.004 0.000 0.258 300 M C 1.945 178.160 176.300 -0.143 0.000 1.071 300 M CA 2.089 57.216 55.300 -0.288 0.000 1.103 300 M CB -0.736 31.567 32.600 -0.495 0.000 1.307 300 M HN 0.340 nan 8.290 nan 0.000 0.409 301 Y N 0.758 120.950 120.300 -0.181 0.000 2.128 301 Y HA -0.196 4.356 4.550 0.004 0.000 0.284 301 Y C 2.765 178.627 175.900 -0.063 0.000 1.154 301 Y CA 1.603 59.553 58.100 -0.249 0.000 1.149 301 Y CB -1.434 36.664 38.460 -0.603 0.000 0.976 301 Y HN 0.455 nan 8.280 nan 0.000 0.505 302 A N -0.130 122.873 122.820 0.305 0.000 1.849 302 A HA -0.324 3.998 4.320 0.004 0.000 0.216 302 A C 2.336 180.092 177.584 0.287 0.000 1.225 302 A CA 3.288 55.598 52.037 0.455 0.000 0.653 302 A CB -1.538 17.728 19.000 0.443 0.000 0.844 302 A HN 0.467 nan 8.150 nan 0.000 0.453 303 T N 0.518 115.189 114.554 0.195 0.000 2.731 303 T HA -0.306 4.046 4.350 0.004 0.000 0.263 303 T C 1.708 176.434 174.700 0.044 0.000 1.033 303 T CA 2.096 64.257 62.100 0.102 0.000 1.160 303 T CB -0.890 68.022 68.868 0.073 0.000 0.849 303 T HN 0.447 nan 8.240 nan 0.000 0.469 304 I N -0.790 119.796 120.570 0.027 0.000 2.060 304 I HA -0.173 3.999 4.170 0.004 0.000 0.233 304 I C 2.439 178.572 176.117 0.026 0.000 1.054 304 I CA 1.731 63.000 61.300 -0.051 0.000 1.318 304 I CB -0.543 37.375 38.000 -0.136 0.000 1.054 304 I HN 0.292 nan 8.210 nan 0.000 0.395 305 W N 0.990 122.342 121.300 0.085 0.000 2.290 305 W HA -0.311 4.351 4.660 0.003 0.000 0.323 305 W C 2.636 179.201 176.519 0.077 0.000 1.260 305 W CA 1.370 58.769 57.345 0.089 0.000 1.266 305 W CB -0.572 28.951 29.460 0.105 0.000 1.149 305 W HN 0.218 nan 8.180 nan 0.000 0.482 306 L N 0.831 122.244 121.223 0.317 0.000 1.997 306 L HA -0.314 4.028 4.340 0.004 0.000 0.216 306 L C 2.561 179.559 176.870 0.213 0.000 1.074 306 L CA 2.035 56.991 54.840 0.193 0.000 0.763 306 L CB -0.517 41.619 42.059 0.128 0.000 0.890 306 L HN -0.009 nan 8.230 nan 0.000 0.434 307 R N -0.466 120.117 120.500 0.137 0.000 2.105 307 R HA -0.242 4.100 4.340 0.004 0.000 0.239 307 R C 2.220 178.599 176.300 0.132 0.000 1.135 307 R CA 1.622 57.774 56.100 0.086 0.000 0.967 307 R CB -0.400 29.889 30.300 -0.018 0.000 0.861 307 R HN 0.487 nan 8.270 nan 0.000 0.442 308 E N 0.384 120.683 120.200 0.166 0.000 2.038 308 E HA -0.249 4.104 4.350 0.004 0.000 0.195 308 E C 1.666 178.414 176.600 0.247 0.000 1.000 308 E CA 2.001 58.514 56.400 0.189 0.000 0.803 308 E CB -0.359 29.504 29.700 0.272 0.000 0.750 308 E HN 0.442 nan 8.360 nan 0.000 0.448 309 H N 0.164 119.373 119.070 0.233 0.000 2.287 309 H HA -0.176 4.382 4.556 0.004 0.000 0.292 309 H C 1.741 177.172 175.328 0.172 0.000 1.068 309 H CA 2.823 58.998 56.048 0.211 0.000 1.192 309 H CB -0.528 29.361 29.762 0.213 0.000 1.360 309 H HN 0.205 nan 8.280 nan 0.000 0.516 310 N N 0.267 119.184 118.700 0.362 0.000 2.184 310 N HA -0.196 4.546 4.740 0.004 0.000 0.190 310 N C 2.006 177.600 175.510 0.139 0.000 1.011 310 N CA 1.333 54.543 53.050 0.267 0.000 0.867 310 N CB -0.452 38.235 38.487 0.332 0.000 0.993 310 N HN 0.431 nan 8.380 nan 0.000 0.433 311 R N 0.778 121.349 120.500 0.119 0.000 2.070 311 R HA -0.060 4.282 4.340 0.004 0.000 0.233 311 R C 1.783 178.112 176.300 0.048 0.000 1.137 311 R CA 1.167 57.311 56.100 0.073 0.000 0.945 311 R CB -0.504 29.833 30.300 0.062 0.000 0.845 311 R HN 0.043 nan 8.270 nan 0.000 0.430 312 V N 0.734 120.669 119.914 0.036 0.000 2.287 312 V HA -0.356 3.767 4.120 0.004 0.000 0.248 312 V C 2.636 178.727 176.094 -0.006 0.000 1.053 312 V CA 1.975 64.282 62.300 0.012 0.000 1.027 312 V CB -0.457 31.368 31.823 0.003 0.000 0.646 312 V HN 0.567 nan 8.190 nan 0.000 0.447 313 C N 0.023 119.300 119.300 -0.038 0.000 2.385 313 C HA -0.239 4.224 4.460 0.004 0.000 0.275 313 C C 2.483 177.500 174.990 0.046 0.000 1.207 313 C CA 1.391 60.417 59.018 0.013 0.000 1.760 313 C CB -1.219 26.553 27.740 0.052 0.000 2.051 313 C HN 0.640 nan 8.230 nan 0.000 0.467 314 D N 0.742 121.170 120.400 0.047 0.000 2.104 314 D HA -0.108 4.534 4.640 0.004 0.000 0.194 314 D C 1.799 178.101 176.300 0.003 0.000 0.994 314 D CA 1.324 55.346 54.000 0.038 0.000 0.830 314 D CB -0.521 40.305 40.800 0.043 0.000 0.959 314 D HN 0.508 nan 8.370 nan 0.000 0.452 315 I N 0.511 121.077 120.570 -0.006 0.000 2.208 315 I HA -0.248 3.924 4.170 0.004 0.000 0.245 315 I C 2.505 178.569 176.117 -0.089 0.000 1.097 315 I CA 0.801 62.078 61.300 -0.037 0.000 1.363 315 I CB -0.335 37.652 38.000 -0.022 0.000 1.051 315 I HN -0.015 nan 8.210 nan 0.000 0.413 316 L N 0.726 121.907 121.223 -0.069 0.000 1.988 316 L HA -0.202 4.140 4.340 0.004 0.000 0.207 316 L C 2.661 179.424 176.870 -0.178 0.000 1.071 316 L CA 1.562 56.316 54.840 -0.144 0.000 0.744 316 L CB -0.619 41.453 42.059 0.022 0.000 0.893 316 L HN 0.205 nan 8.230 nan 0.000 0.433 317 K N -0.182 120.200 120.400 -0.030 0.000 2.366 317 K HA -0.291 4.031 4.320 0.004 0.000 0.202 317 K C 2.066 178.631 176.600 -0.058 0.000 1.045 317 K CA 1.449 57.739 56.287 0.004 0.000 0.934 317 K CB 0.077 32.612 32.500 0.059 0.000 0.746 317 K HN 0.126 nan 8.250 nan 0.000 0.470 318 Q N 0.634 120.372 119.800 -0.103 0.000 2.061 318 Q HA -0.082 4.260 4.340 0.004 0.000 0.195 318 Q C 1.633 177.521 176.000 -0.187 0.000 0.967 318 Q CA 1.558 57.298 55.803 -0.106 0.000 0.829 318 Q CB -0.037 28.648 28.738 -0.089 0.000 0.900 318 Q HN 0.230 nan 8.270 nan 0.000 0.450 319 E N -0.242 119.757 120.200 -0.336 0.000 2.051 319 E HA -0.101 4.251 4.350 0.004 0.000 0.192 319 E C -0.071 176.149 176.600 -0.634 0.000 0.991 319 E CA 1.134 57.197 56.400 -0.562 0.000 0.799 319 E CB 0.042 29.212 29.700 -0.883 0.000 0.748 319 E HN 0.380 nan 8.360 nan 0.000 0.449 320 H N -0.762 118.071 119.070 -0.394 0.000 2.530 320 H HA 0.201 4.759 4.556 0.004 0.000 0.246 320 H C -1.922 173.299 175.328 -0.179 0.000 1.346 320 H CA -2.266 53.495 56.048 -0.479 0.000 1.424 320 H CB 0.803 29.741 29.762 -1.373 0.000 1.445 320 H HN 0.123 nan 8.280 nan 0.000 0.511 321 P HA -0.095 nan 4.420 nan 0.000 0.231 321 P C 0.285 177.654 177.300 0.115 0.000 1.158 321 P CA 0.776 63.909 63.100 0.054 0.000 0.763 321 P CB 0.296 32.014 31.700 0.029 0.000 0.805 322 E N -2.751 117.544 120.200 0.158 0.000 2.496 322 E HA 0.123 4.475 4.350 0.004 0.000 0.200 322 E C -0.148 176.696 176.600 0.407 0.000 1.016 322 E CA -0.389 56.142 56.400 0.219 0.000 0.962 322 E CB -0.485 29.323 29.700 0.180 0.000 1.071 322 E HN 0.115 nan 8.360 nan 0.000 0.457 323 W N 0.940 122.291 121.300 0.085 0.000 2.497 323 W HA 0.720 5.382 4.660 0.004 0.000 0.359 323 W C 0.880 177.441 176.519 0.069 0.000 1.131 323 W CA -1.210 56.177 57.345 0.071 0.000 1.280 323 W CB 1.146 30.676 29.460 0.116 0.000 1.319 323 W HN 0.056 nan 8.180 nan 0.000 0.626 324 G N 0.431 109.335 108.800 0.173 0.000 2.462 324 G HA2 0.199 4.162 3.960 0.004 0.000 0.319 324 G HA3 0.199 4.162 3.960 0.004 0.000 0.319 324 G C 0.280 175.273 174.900 0.154 0.000 1.171 324 G CA -0.219 44.950 45.100 0.115 0.000 0.920 324 G HN 0.484 nan 8.290 nan 0.000 0.499 325 D N -0.329 120.162 120.400 0.151 0.000 2.127 325 D HA -0.208 4.435 4.640 0.004 0.000 0.190 325 D C 1.858 178.296 176.300 0.230 0.000 1.000 325 D CA 1.643 55.764 54.000 0.201 0.000 0.839 325 D CB 0.108 41.031 40.800 0.205 0.000 0.955 325 D HN 0.395 nan 8.370 nan 0.000 0.446 326 E N -0.454 119.846 120.200 0.168 0.000 2.333 326 E HA -0.201 4.151 4.350 0.004 0.000 0.198 326 E C 1.864 178.556 176.600 0.153 0.000 1.007 326 E CA 0.615 57.111 56.400 0.161 0.000 0.845 326 E CB -0.034 29.709 29.700 0.072 0.000 0.766 326 E HN 0.587 nan 8.360 nan 0.000 0.507 327 Q N -0.129 119.708 119.800 0.062 0.000 2.165 327 Q HA -0.026 4.316 4.340 0.004 0.000 0.197 327 Q C 2.335 178.390 176.000 0.091 0.000 0.952 327 Q CA 0.241 55.992 55.803 -0.087 0.000 0.848 327 Q CB 0.136 28.599 28.738 -0.459 0.000 0.931 327 Q HN 0.196 nan 8.270 nan 0.000 0.470 328 L N 0.261 121.644 121.223 0.267 0.000 1.955 328 L HA -0.187 4.155 4.340 0.004 0.000 0.213 328 L C 2.393 179.423 176.870 0.266 0.000 1.072 328 L CA 1.797 56.857 54.840 0.367 0.000 0.755 328 L CB -0.748 41.512 42.059 0.334 0.000 0.888 328 L HN 0.332 nan 8.230 nan 0.000 0.432 329 F N 0.484 120.532 119.950 0.165 0.000 2.111 329 F HA -0.360 4.169 4.527 0.004 0.000 0.300 329 F C 2.665 178.533 175.800 0.115 0.000 1.088 329 F CA 1.873 59.982 58.000 0.181 0.000 1.243 329 F CB -0.194 38.888 39.000 0.138 0.000 0.996 329 F HN 0.145 nan 8.300 nan 0.000 0.483 330 Q N -0.365 119.570 119.800 0.224 0.000 2.187 330 Q HA -0.090 4.252 4.340 0.004 0.000 0.199 330 Q C 2.186 178.188 176.000 0.004 0.000 0.957 330 Q CA 1.852 57.689 55.803 0.055 0.000 0.857 330 Q CB -0.597 28.241 28.738 0.167 0.000 0.929 330 Q HN 0.472 nan 8.270 nan 0.000 0.453 331 T N 0.896 115.510 114.554 0.100 0.000 2.777 331 T HA -0.082 4.271 4.350 0.004 0.000 0.266 331 T C 2.197 176.995 174.700 0.164 0.000 1.040 331 T CA 1.278 63.498 62.100 0.200 0.000 1.141 331 T CB -0.161 68.968 68.868 0.435 0.000 0.868 331 T HN 0.146 nan 8.240 nan 0.000 0.444 332 S N 1.330 117.058 115.700 0.046 0.000 2.378 332 S HA -0.203 4.269 4.470 0.004 0.000 0.221 332 S C 2.079 176.689 174.600 0.017 0.000 1.037 332 S CA 1.621 59.781 58.200 -0.067 0.000 1.069 332 S CB -0.426 62.483 63.200 -0.485 0.000 1.006 332 S HN 0.490 nan 8.310 nan 0.000 0.423 333 R N 0.784 121.223 120.500 -0.101 0.000 2.204 333 R HA -0.134 4.209 4.340 0.004 0.000 0.253 333 R C 2.074 178.424 176.300 0.083 0.000 1.172 333 R CA 1.221 57.275 56.100 -0.077 0.000 0.994 333 R CB -0.354 29.569 30.300 -0.627 0.000 0.874 333 R HN 0.379 nan 8.270 nan 0.000 0.462 334 L N -0.155 121.156 121.223 0.147 0.000 2.068 334 L HA -0.121 4.221 4.340 0.004 0.000 0.204 334 L C 2.349 179.500 176.870 0.468 0.000 1.076 334 L CA 1.159 56.192 54.840 0.322 0.000 0.753 334 L CB -0.358 41.908 42.059 0.345 0.000 0.910 334 L HN 0.241 nan 8.230 nan 0.000 0.439 335 I N -0.359 120.469 120.570 0.431 0.000 2.127 335 I HA -0.335 3.837 4.170 0.004 0.000 0.241 335 I C 2.420 178.683 176.117 0.243 0.000 1.075 335 I CA 1.184 62.673 61.300 0.316 0.000 1.334 335 I CB -0.306 37.844 38.000 0.251 0.000 1.040 335 I HN 0.109 nan 8.210 nan 0.000 0.405 336 L N 0.196 121.561 121.223 0.238 0.000 1.990 336 L HA -0.265 4.078 4.340 0.004 0.000 0.213 336 L C 2.387 179.357 176.870 0.167 0.000 1.072 336 L CA 1.915 56.901 54.840 0.244 0.000 0.755 336 L CB -0.617 41.595 42.059 0.254 0.000 0.889 336 L HN 0.168 nan 8.230 nan 0.000 0.432 337 I N -1.027 119.635 120.570 0.154 0.000 2.185 337 I HA -0.341 3.832 4.170 0.004 0.000 0.246 337 I C 2.350 178.569 176.117 0.171 0.000 1.088 337 I CA 1.577 62.951 61.300 0.123 0.000 1.347 337 I CB -0.681 37.411 38.000 0.152 0.000 1.041 337 I HN 0.412 nan 8.210 nan 0.000 0.415 338 G N -0.245 108.706 108.800 0.251 0.000 2.480 338 G HA2 -0.280 3.683 3.960 0.004 0.000 0.216 338 G HA3 -0.280 3.683 3.960 0.004 0.000 0.216 338 G C 1.432 176.486 174.900 0.258 0.000 1.200 338 G CA 0.886 46.163 45.100 0.296 0.000 0.782 338 G HN 0.386 nan 8.290 nan 0.000 0.554 339 E N -0.377 119.973 120.200 0.249 0.000 2.048 339 E HA -0.180 4.172 4.350 0.004 0.000 0.202 339 E C 2.802 179.579 176.600 0.296 0.000 1.021 339 E CA 1.903 58.477 56.400 0.289 0.000 0.825 339 E CB -0.388 29.541 29.700 0.383 0.000 0.756 339 E HN 0.346 nan 8.360 nan 0.000 0.454 340 T N 1.513 116.244 114.554 0.295 0.000 2.565 340 T HA -0.227 4.126 4.350 0.004 0.000 0.265 340 T C 1.844 176.570 174.700 0.043 0.000 1.082 340 T CA 1.569 63.799 62.100 0.217 0.000 1.173 340 T CB -0.348 68.527 68.868 0.013 0.000 0.864 340 T HN 0.125 nan 8.240 nan 0.000 0.425 341 I N 1.307 121.843 120.570 -0.056 0.000 2.300 341 I HA -0.231 3.941 4.170 0.004 0.000 0.252 341 I C 2.387 178.183 176.117 -0.536 0.000 1.119 341 I CA 1.617 62.713 61.300 -0.340 0.000 1.384 341 I CB -0.874 36.828 38.000 -0.497 0.000 1.062 341 I HN 0.294 nan 8.210 nan 0.000 0.426 342 K N 1.972 122.245 120.400 -0.212 0.000 1.975 342 K HA -0.069 4.254 4.320 0.004 0.000 0.210 342 K C 2.038 178.666 176.600 0.048 0.000 1.041 342 K CA 1.359 57.677 56.287 0.051 0.000 0.942 342 K CB -0.520 32.169 32.500 0.315 0.000 0.729 342 K HN 0.126 nan 8.250 nan 0.000 0.439 343 I N 0.799 121.440 120.570 0.119 0.000 2.300 343 I HA -0.315 3.857 4.170 0.004 0.000 0.252 343 I C 2.058 178.202 176.117 0.044 0.000 1.119 343 I CA 1.031 62.413 61.300 0.137 0.000 1.384 343 I CB -0.236 37.925 38.000 0.269 0.000 1.062 343 I HN 0.088 nan 8.210 nan 0.000 0.426 344 V N 0.928 120.789 119.914 -0.087 0.000 2.231 344 V HA -0.242 3.880 4.120 0.004 0.000 0.240 344 V C 2.243 178.280 176.094 -0.095 0.000 1.039 344 V CA 1.828 63.957 62.300 -0.285 0.000 0.998 344 V CB -0.261 31.212 31.823 -0.583 0.000 0.639 344 V HN 0.230 nan 8.190 nan 0.000 0.451 345 I N 0.083 120.586 120.570 -0.112 0.000 2.113 345 I HA -0.317 3.856 4.170 0.004 0.000 0.242 345 I C 2.551 178.711 176.117 0.072 0.000 1.064 345 I CA 2.039 63.329 61.300 -0.018 0.000 1.320 345 I CB -0.449 37.508 38.000 -0.071 0.000 1.028 345 I HN 0.430 nan 8.210 nan 0.000 0.406 346 E N 0.011 120.261 120.200 0.085 0.000 2.216 346 E HA -0.124 4.228 4.350 0.004 0.000 0.192 346 E C 0.967 177.636 176.600 0.116 0.000 0.988 346 E CA 0.830 57.293 56.400 0.104 0.000 0.834 346 E CB 0.094 29.862 29.700 0.112 0.000 0.772 346 E HN 0.546 nan 8.360 nan 0.000 0.479 347 D N -0.538 119.953 120.400 0.152 0.000 2.910 347 D HA 0.001 4.643 4.640 0.004 0.000 0.241 347 D C 1.321 177.818 176.300 0.328 0.000 1.346 347 D CA -0.284 53.862 54.000 0.243 0.000 1.227 347 D CB -1.023 39.944 40.800 0.280 0.000 0.926 347 D HN -0.078 nan 8.370 nan 0.000 0.212 348 Y N 2.031 122.402 120.300 0.119 0.000 1.532 348 Y HA -0.449 4.104 4.550 0.004 0.000 0.133 348 Y C 2.302 178.261 175.900 0.099 0.000 0.843 348 Y CA 2.762 60.713 58.100 -0.250 0.000 0.658 348 Y CB -0.846 37.203 38.460 -0.685 0.000 0.626 348 Y HN -0.087 nan 8.280 nan 0.000 0.687 349 V N 0.496 120.723 119.914 0.521 0.000 2.311 349 V HA -0.439 3.683 4.120 0.004 0.000 0.256 349 V C 2.254 178.442 176.094 0.157 0.000 1.077 349 V CA 2.397 64.908 62.300 0.352 0.000 1.067 349 V CB -1.217 30.746 31.823 0.234 0.000 0.659 349 V HN 0.687 nan 8.190 nan 0.000 0.451 350 Q N 0.595 120.482 119.800 0.146 0.000 1.956 350 Q HA -0.290 4.052 4.340 0.004 0.000 0.208 350 Q C 2.145 178.164 176.000 0.032 0.000 0.998 350 Q CA 2.811 58.657 55.803 0.072 0.000 0.855 350 Q CB -0.805 27.995 28.738 0.103 0.000 0.928 350 Q HN 0.855 nan 8.270 nan 0.000 0.418 351 H N -0.658 118.430 119.070 0.031 0.000 2.265 351 H HA -0.184 4.375 4.556 0.004 0.000 0.293 351 H C 1.695 176.961 175.328 -0.105 0.000 1.089 351 H CA 2.110 58.151 56.048 -0.012 0.000 1.244 351 H CB -0.684 29.124 29.762 0.077 0.000 1.355 351 H HN 0.355 nan 8.280 nan 0.000 0.485 352 L N 0.753 121.916 121.223 -0.101 0.000 2.283 352 L HA -0.209 4.133 4.340 0.004 0.000 0.217 352 L C 2.547 179.271 176.870 -0.244 0.000 1.104 352 L CA 2.097 56.838 54.840 -0.164 0.000 0.772 352 L CB -1.017 41.169 42.059 0.213 0.000 0.899 352 L HN 0.670 nan 8.230 nan 0.000 0.439 353 S N -1.710 113.787 115.700 -0.338 0.000 2.492 353 S HA 0.169 4.641 4.470 0.004 0.000 0.218 353 S C 1.671 175.963 174.600 -0.514 0.000 1.016 353 S CA 0.448 58.259 58.200 -0.648 0.000 0.916 353 S CB -0.117 62.346 63.200 -1.228 0.000 0.791 353 S HN 0.579 nan 8.310 nan 0.000 0.513 354 G N 0.782 109.376 108.800 -0.342 0.000 2.212 354 G HA2 -0.273 3.690 3.960 0.004 0.000 0.267 354 G HA3 -0.273 3.690 3.960 0.004 0.000 0.267 354 G C -0.070 174.781 174.900 -0.082 0.000 1.002 354 G CA 0.751 45.725 45.100 -0.209 0.000 0.729 354 G HN 0.536 nan 8.290 nan 0.000 0.517 355 Y N -0.990 119.206 120.300 -0.173 0.000 2.330 355 Y HA 0.392 4.944 4.550 0.003 0.000 0.341 355 Y C 1.735 177.462 175.900 -0.288 0.000 1.278 355 Y CA -0.363 57.606 58.100 -0.219 0.000 1.453 355 Y CB 0.318 38.682 38.460 -0.161 0.000 1.342 355 Y HN 0.278 nan 8.280 nan 0.000 0.590 356 H N 0.111 119.097 119.070 -0.139 0.000 2.520 356 H HA 0.036 4.594 4.556 0.004 0.000 0.279 356 H C -0.027 175.170 175.328 -0.219 0.000 0.990 356 H CA -0.123 55.847 56.048 -0.130 0.000 1.288 356 H CB 0.212 30.014 29.762 0.068 0.000 1.446 356 H HN 0.421 nan 8.280 nan 0.000 0.538 357 F N 2.638 122.188 119.950 -0.666 0.000 2.538 357 F HA 0.097 4.626 4.527 0.004 0.000 0.371 357 F C 0.167 175.882 175.800 -0.142 0.000 1.087 357 F CA -0.456 57.240 58.000 -0.507 0.000 1.250 357 F CB 0.459 38.883 39.000 -0.960 0.000 1.110 357 F HN -0.243 nan 8.300 nan 0.000 0.570 358 K N 8.079 128.034 120.400 -0.741 0.000 2.315 358 K HA 0.205 4.528 4.320 0.004 0.000 0.291 358 K C -0.377 175.768 176.600 -0.760 0.000 1.074 358 K CA -0.349 55.620 56.287 -0.530 0.000 0.936 358 K CB 0.320 32.630 32.500 -0.317 0.000 1.049 358 K HN 0.717 nan 8.250 nan 0.000 0.471 359 L N 3.877 124.952 121.223 -0.246 0.000 2.499 359 L HA 0.026 4.368 4.340 0.004 0.000 0.273 359 L C 0.532 177.409 176.870 0.011 0.000 1.195 359 L CA 0.693 55.558 54.840 0.043 0.000 0.882 359 L CB 0.203 42.360 42.059 0.163 0.000 1.133 359 L HN 0.468 nan 8.230 nan 0.000 0.483 360 K N 3.385 123.843 120.400 0.097 0.000 2.259 360 K HA 0.371 4.693 4.320 0.004 0.000 0.252 360 K C -1.190 175.521 176.600 0.184 0.000 0.936 360 K CA -0.697 55.649 56.287 0.099 0.000 0.810 360 K CB 1.614 34.151 32.500 0.061 0.000 1.143 360 K HN 0.288 nan 8.250 nan 0.000 0.427 361 F N 4.361 124.317 119.950 0.010 0.000 2.325 361 F HA 0.371 4.900 4.527 0.004 0.000 0.369 361 F C -1.328 174.453 175.800 -0.033 0.000 1.095 361 F CA -1.179 56.806 58.000 -0.024 0.000 1.082 361 F CB 0.683 39.670 39.000 -0.021 0.000 1.289 361 F HN 0.519 nan 8.300 nan 0.000 0.462 362 D N 7.996 128.179 120.400 -0.361 0.000 2.375 362 D HA 0.393 5.035 4.640 0.004 0.000 0.241 362 D C -2.482 173.547 176.300 -0.452 0.000 1.361 362 D CA -1.948 51.788 54.000 -0.440 0.000 0.995 362 D CB 2.131 42.846 40.800 -0.141 0.000 1.312 362 D HN 0.180 nan 8.370 nan 0.000 0.576 363 P HA -0.100 nan 4.420 nan 0.000 0.221 363 P C 0.821 177.528 177.300 -0.987 0.000 1.145 363 P CA 0.692 63.368 63.100 -0.707 0.000 0.795 363 P CB 0.268 31.444 31.700 -0.874 0.000 0.775 364 E N -0.662 119.025 120.200 -0.857 0.000 2.501 364 E HA -0.115 4.238 4.350 0.004 0.000 0.203 364 E C 1.454 177.820 176.600 -0.389 0.000 1.072 364 E CA 0.545 56.473 56.400 -0.786 0.000 0.885 364 E CB -0.408 29.275 29.700 -0.029 0.000 0.813 364 E HN 0.388 nan 8.360 nan 0.000 0.556 365 L N -0.438 120.589 121.223 -0.327 0.000 2.375 365 L HA -0.008 4.335 4.340 0.004 0.000 0.215 365 L C 1.906 178.728 176.870 -0.078 0.000 1.108 365 L CA 0.394 55.160 54.840 -0.123 0.000 0.830 365 L CB 0.047 42.051 42.059 -0.091 0.000 0.959 365 L HN 0.128 nan 8.230 nan 0.000 0.457 366 L N -1.597 119.543 121.223 -0.138 0.000 2.607 366 L HA 0.099 4.442 4.340 0.004 0.000 0.228 366 L C 1.416 178.492 176.870 0.344 0.000 1.123 366 L CA 0.003 54.869 54.840 0.044 0.000 0.890 366 L CB -0.127 41.888 42.059 -0.074 0.000 1.103 366 L HN 0.161 nan 8.230 nan 0.000 0.468 367 F N 2.493 122.561 119.950 0.196 0.000 2.738 367 F HA -0.059 4.470 4.527 0.004 0.000 0.301 367 F C 0.919 176.815 175.800 0.160 0.000 1.269 367 F CA -0.073 58.047 58.000 0.199 0.000 1.441 367 F CB -0.121 38.985 39.000 0.178 0.000 1.101 367 F HN 0.479 nan 8.300 nan 0.000 0.545 368 N N -1.713 117.181 118.700 0.323 0.000 2.170 368 N HA -0.024 4.718 4.740 0.004 0.000 0.230 368 N C -0.814 174.804 175.510 0.179 0.000 1.402 368 N CA -0.133 53.046 53.050 0.216 0.000 0.830 368 N CB -0.286 38.307 38.487 0.177 0.000 1.259 368 N HN 0.042 nan 8.380 nan 0.000 0.532 369 Q N 0.782 120.708 119.800 0.210 0.000 2.333 369 Q HA 0.297 4.639 4.340 0.004 0.000 0.267 369 Q C -0.359 175.768 176.000 0.212 0.000 1.012 369 Q CA -0.190 55.715 55.803 0.171 0.000 0.824 369 Q CB 2.203 31.016 28.738 0.125 0.000 1.290 369 Q HN 0.243 nan 8.270 nan 0.000 0.449 370 Q N 2.252 122.151 119.800 0.165 0.000 2.736 370 Q HA 0.085 4.428 4.340 0.004 0.000 0.234 370 Q C -1.018 175.091 176.000 0.182 0.000 1.354 370 Q CA 0.098 55.993 55.803 0.154 0.000 0.891 370 Q CB -0.294 28.506 28.738 0.105 0.000 1.665 370 Q HN 0.309 nan 8.270 nan 0.000 0.563 371 F N 1.482 121.443 119.950 0.018 0.000 2.458 371 F HA 0.249 4.778 4.527 0.004 0.000 0.336 371 F C -0.374 175.359 175.800 -0.112 0.000 1.114 371 F CA -0.963 56.976 58.000 -0.102 0.000 0.987 371 F CB 1.407 40.259 39.000 -0.247 0.000 1.130 371 F HN 0.099 nan 8.300 nan 0.000 0.458 372 Q N 6.358 125.616 119.800 -0.903 0.000 2.472 372 Q HA 0.053 4.395 4.340 0.004 0.000 0.227 372 Q C -1.010 174.346 176.000 -1.074 0.000 1.156 372 Q CA -0.051 55.334 55.803 -0.697 0.000 0.924 372 Q CB 0.064 28.565 28.738 -0.394 0.000 1.354 372 Q HN 0.704 nan 8.270 nan 0.000 0.525 373 Y N 3.018 122.954 120.300 -0.607 0.000 2.823 373 Y HA -0.093 4.460 4.550 0.004 0.000 0.345 373 Y C 1.041 176.824 175.900 -0.194 0.000 1.154 373 Y CA 0.349 58.267 58.100 -0.303 0.000 2.010 373 Y CB -0.124 38.345 38.460 0.016 0.000 2.099 373 Y HN 0.413 nan 8.280 nan 0.000 0.409 374 Q N 0.543 120.234 119.800 -0.182 0.000 2.633 374 Q HA 0.465 4.807 4.340 0.004 0.000 0.289 374 Q C -2.013 173.914 176.000 -0.121 0.000 0.940 374 Q CA -1.256 54.487 55.803 -0.100 0.000 0.785 374 Q CB 2.144 30.830 28.738 -0.086 0.000 1.467 374 Q HN 0.382 nan 8.270 nan 0.000 0.401 375 N N -0.225 118.421 118.700 -0.089 0.000 2.555 375 N HA 0.517 5.260 4.740 0.004 0.000 0.265 375 N C -2.212 173.270 175.510 -0.047 0.000 1.135 375 N CA -0.453 52.547 53.050 -0.082 0.000 0.925 375 N CB 2.224 40.653 38.487 -0.096 0.000 1.662 375 N HN 0.607 nan 8.380 nan 0.000 0.489 376 R N 3.059 123.548 120.500 -0.018 0.000 2.513 376 R HA 0.577 4.919 4.340 0.004 0.000 0.301 376 R C -1.349 174.991 176.300 0.066 0.000 0.968 376 R CA -0.534 55.641 56.100 0.125 0.000 0.872 376 R CB 0.831 31.155 30.300 0.039 0.000 1.177 376 R HN 0.585 nan 8.270 nan 0.000 0.444 377 I N 3.490 124.094 120.570 0.057 0.000 2.452 377 I HA 0.279 4.451 4.170 0.004 0.000 0.287 377 I C 0.306 176.477 176.117 0.090 0.000 1.079 377 I CA 0.401 61.663 61.300 -0.063 0.000 1.387 377 I CB 1.412 39.336 38.000 -0.126 0.000 1.404 377 I HN 0.750 nan 8.210 nan 0.000 0.522 378 A N 4.735 127.496 122.820 -0.098 0.000 2.340 378 A HA 0.284 4.607 4.320 0.004 0.000 0.268 378 A C 1.228 178.752 177.584 -0.101 0.000 1.100 378 A CA -0.118 51.843 52.037 -0.126 0.000 0.803 378 A CB 0.921 19.629 19.000 -0.486 0.000 1.043 378 A HN 0.737 nan 8.150 nan 0.000 0.488 379 S N 0.522 116.159 115.700 -0.104 0.000 2.353 379 S HA -0.171 4.301 4.470 0.004 0.000 0.222 379 S C 1.787 176.344 174.600 -0.071 0.000 1.035 379 S CA 2.221 60.281 58.200 -0.232 0.000 1.025 379 S CB -0.504 62.624 63.200 -0.119 0.000 0.902 379 S HN 0.805 nan 8.310 nan 0.000 0.440 380 E N 0.714 120.971 120.200 0.095 0.000 2.045 380 E HA -0.206 4.146 4.350 0.004 0.000 0.212 380 E C 1.613 178.240 176.600 0.045 0.000 1.039 380 E CA 1.830 58.344 56.400 0.191 0.000 0.860 380 E CB -0.738 29.178 29.700 0.361 0.000 0.776 380 E HN 0.556 nan 8.360 nan 0.000 0.467 381 F N 1.783 121.612 119.950 -0.202 0.000 2.141 381 F HA -0.345 4.184 4.527 0.004 0.000 0.300 381 F C 1.993 177.684 175.800 -0.180 0.000 1.079 381 F CA 2.130 60.057 58.000 -0.122 0.000 1.264 381 F CB -0.402 38.345 39.000 -0.422 0.000 1.011 381 F HN 0.119 nan 8.300 nan 0.000 0.487 382 N N -0.995 117.543 118.700 -0.271 0.000 2.106 382 N HA -0.177 4.565 4.740 0.004 0.000 0.188 382 N C 1.624 176.509 175.510 -1.042 0.000 1.029 382 N CA 2.009 54.485 53.050 -0.956 0.000 0.848 382 N CB -0.173 37.927 38.487 -0.646 0.000 1.007 382 N HN 0.325 nan 8.380 nan 0.000 0.423 383 T N 2.626 116.694 114.554 -0.809 0.000 2.643 383 T HA -0.092 4.261 4.350 0.004 0.000 0.264 383 T C 2.049 176.203 174.700 -0.909 0.000 1.045 383 T CA 1.373 62.806 62.100 -1.112 0.000 1.155 383 T CB -0.592 67.879 68.868 -0.661 0.000 0.863 383 T HN 0.231 nan 8.240 nan 0.000 0.420 384 L N 0.700 121.649 121.223 -0.456 0.000 2.211 384 L HA -0.213 4.130 4.340 0.004 0.000 0.216 384 L C 2.471 179.107 176.870 -0.390 0.000 1.092 384 L CA 1.784 56.483 54.840 -0.236 0.000 0.767 384 L CB -1.174 40.807 42.059 -0.130 0.000 0.894 384 L HN 0.356 nan 8.230 nan 0.000 0.437 385 Y N 0.876 120.627 120.300 -0.916 0.000 2.181 385 Y HA -0.175 4.377 4.550 0.004 0.000 0.288 385 Y C 1.656 177.097 175.900 -0.765 0.000 1.146 385 Y CA 0.671 58.061 58.100 -1.183 0.000 1.164 385 Y CB -0.919 36.736 38.460 -1.341 0.000 0.982 385 Y HN 0.188 nan 8.280 nan 0.000 0.515 386 H N 0.979 119.333 119.070 -1.193 0.000 5.055 386 H HA -0.160 4.398 4.556 0.004 0.000 0.163 386 H C -0.574 174.361 175.328 -0.655 0.000 0.878 386 H CA -0.188 55.161 56.048 -1.165 0.000 1.395 386 H CB -1.621 27.732 29.762 -0.681 0.000 1.592 386 H HN 0.501 nan 8.280 nan 0.000 0.926 387 W N 1.594 122.512 121.300 -0.638 0.000 2.960 387 W HA 0.129 4.792 4.660 0.004 0.000 0.442 387 W C 0.978 177.399 176.519 -0.163 0.000 0.774 387 W CA -1.055 56.155 57.345 -0.226 0.000 2.207 387 W CB -1.116 28.370 29.460 0.043 0.000 1.159 387 W HN 0.684 nan 8.180 nan 0.000 0.845 388 H N 1.230 120.435 119.070 0.226 0.000 2.321 388 H HA -0.211 4.347 4.556 0.003 0.000 0.295 388 H C -0.225 175.182 175.328 0.132 0.000 1.102 388 H CA 2.260 58.410 56.048 0.171 0.000 1.266 388 H CB -1.755 28.093 29.762 0.142 0.000 1.363 388 H HN -0.053 nan 8.280 nan 0.000 0.492 389 P HA -0.227 nan 4.420 nan 0.000 0.219 389 P C 1.350 178.634 177.300 -0.026 0.000 1.151 389 P CA 1.379 64.485 63.100 0.010 0.000 0.850 389 P CB -0.135 31.514 31.700 -0.085 0.000 0.784 390 L N -1.693 119.549 121.223 0.032 0.000 2.042 390 L HA -0.126 4.216 4.340 0.004 0.000 0.210 390 L C 1.686 178.615 176.870 0.097 0.000 1.076 390 L CA 0.539 55.400 54.840 0.035 0.000 0.749 390 L CB -0.978 41.169 42.059 0.146 0.000 0.893 390 L HN 0.029 nan 8.230 nan 0.000 0.432 391 L N 1.961 123.285 121.223 0.168 0.000 2.601 391 L HA -0.018 4.324 4.340 0.004 0.000 0.277 391 L C -1.545 175.483 176.870 0.263 0.000 1.219 391 L CA -0.970 54.007 54.840 0.228 0.000 0.915 391 L CB 0.327 42.613 42.059 0.380 0.000 1.160 391 L HN -0.067 nan 8.230 nan 0.000 0.494 392 P HA 0.063 nan 4.420 nan 0.000 0.293 392 P C -0.473 176.904 177.300 0.128 0.000 1.298 392 P CA -0.258 62.922 63.100 0.134 0.000 0.757 392 P CB 0.855 32.449 31.700 -0.177 0.000 1.262 393 D N -1.854 118.540 120.400 -0.010 0.000 2.338 393 D HA 0.041 4.684 4.640 0.004 0.000 0.208 393 D C 0.746 177.025 176.300 -0.034 0.000 0.997 393 D CA 1.147 55.150 54.000 0.005 0.000 0.880 393 D CB 0.482 41.251 40.800 -0.051 0.000 0.980 393 D HN 0.503 nan 8.370 nan 0.000 0.509 394 T N -2.263 112.136 114.554 -0.259 0.000 2.841 394 T HA 0.592 4.944 4.350 0.004 0.000 0.296 394 T C -1.197 173.147 174.700 -0.595 0.000 1.166 394 T CA -0.850 61.078 62.100 -0.287 0.000 1.007 394 T CB 1.548 70.327 68.868 -0.149 0.000 1.253 394 T HN -0.185 nan 8.240 nan 0.000 0.511 395 F N 1.377 121.271 119.950 -0.093 0.000 2.434 395 F HA 0.418 4.948 4.527 0.004 0.000 0.355 395 F C 0.216 175.976 175.800 -0.067 0.000 1.115 395 F CA -0.952 56.940 58.000 -0.180 0.000 1.010 395 F CB 1.153 39.654 39.000 -0.832 0.000 1.234 395 F HN 0.573 nan 8.300 nan 0.000 0.439 396 N N 4.996 123.749 118.700 0.089 0.000 2.469 396 N HA 0.353 5.095 4.740 0.004 0.000 0.239 396 N C -1.078 174.418 175.510 -0.024 0.000 1.053 396 N CA -0.472 52.584 53.050 0.010 0.000 0.937 396 N CB 1.087 39.555 38.487 -0.032 0.000 1.163 396 N HN 0.279 nan 8.380 nan 0.000 0.509 397 I N 2.105 122.643 120.570 -0.054 0.000 2.330 397 I HA 0.235 4.407 4.170 0.004 0.000 0.286 397 I C 1.067 177.184 176.117 0.000 0.000 1.025 397 I CA 0.019 61.182 61.300 -0.229 0.000 1.197 397 I CB -0.354 37.320 38.000 -0.544 0.000 1.358 397 I HN 0.804 nan 8.210 nan 0.000 0.467 398 E N 3.148 123.332 120.200 -0.025 0.000 3.180 398 E HA -0.313 4.039 4.350 0.004 0.000 0.321 398 E C 0.355 176.953 176.600 -0.004 0.000 1.452 398 E CA 1.899 58.308 56.400 0.015 0.000 1.710 398 E CB -0.344 29.398 29.700 0.070 0.000 1.867 398 E HN 0.677 nan 8.360 nan 0.000 0.513 399 D N 0.782 121.178 120.400 -0.007 0.000 2.088 399 D HA -0.098 4.545 4.640 0.004 0.000 0.196 399 D C 0.518 176.777 176.300 -0.067 0.000 0.983 399 D CA 1.251 55.228 54.000 -0.039 0.000 0.846 399 D CB -0.455 40.317 40.800 -0.047 0.000 0.992 399 D HN 0.197 nan 8.370 nan 0.000 0.448 400 Q N 0.578 120.334 119.800 -0.073 0.000 2.448 400 Q HA -0.041 4.302 4.340 0.004 0.000 0.336 400 Q C -0.067 175.744 176.000 -0.315 0.000 1.277 400 Q CA 1.129 56.786 55.803 -0.243 0.000 1.033 400 Q CB 0.239 28.782 28.738 -0.325 0.000 1.286 400 Q HN 0.342 nan 8.270 nan 0.000 0.448 401 E N 0.160 120.051 120.200 -0.516 0.000 2.304 401 E HA 0.370 4.723 4.350 0.004 0.000 0.277 401 E C -1.421 174.884 176.600 -0.492 0.000 0.898 401 E CA -0.276 55.918 56.400 -0.343 0.000 0.764 401 E CB 1.265 30.843 29.700 -0.204 0.000 1.216 401 E HN 0.388 nan 8.360 nan 0.000 0.419 402 Y N -0.040 120.223 120.300 -0.062 0.000 2.598 402 Y HA 0.428 4.980 4.550 0.004 0.000 0.340 402 Y C 0.535 176.488 175.900 0.088 0.000 1.038 402 Y CA -0.796 57.305 58.100 0.001 0.000 1.100 402 Y CB 1.908 40.336 38.460 -0.054 0.000 1.281 402 Y HN 0.432 nan 8.280 nan 0.000 0.488 403 S N -0.312 115.602 115.700 0.357 0.000 2.681 403 S HA 0.428 4.901 4.470 0.004 0.000 0.299 403 S C 0.250 175.202 174.600 0.587 0.000 1.113 403 S CA -0.635 57.797 58.200 0.385 0.000 1.013 403 S CB 0.682 64.024 63.200 0.236 0.000 1.076 403 S HN 0.474 nan 8.310 nan 0.000 0.534 404 F N 1.698 121.837 119.950 0.315 0.000 2.065 404 F HA -0.034 4.496 4.527 0.004 0.000 0.298 404 F C 2.276 178.197 175.800 0.202 0.000 1.112 404 F CA 1.688 59.917 58.000 0.381 0.000 1.212 404 F CB -1.256 37.908 39.000 0.273 0.000 0.975 404 F HN 0.562 nan 8.300 nan 0.000 0.476 405 K N 0.177 120.784 120.400 0.345 0.000 2.228 405 K HA -0.223 4.099 4.320 0.004 0.000 0.205 405 K C 1.857 178.528 176.600 0.119 0.000 1.045 405 K CA 1.536 57.919 56.287 0.159 0.000 0.931 405 K CB -0.545 32.027 32.500 0.121 0.000 0.727 405 K HN 0.446 nan 8.250 nan 0.000 0.458 406 Q N -0.742 119.185 119.800 0.212 0.000 1.990 406 Q HA 0.012 4.354 4.340 0.004 0.000 0.195 406 Q C 1.847 177.961 176.000 0.189 0.000 0.977 406 Q CA 0.629 56.561 55.803 0.215 0.000 0.828 406 Q CB -0.319 28.626 28.738 0.345 0.000 0.896 406 Q HN 0.115 nan 8.270 nan 0.000 0.447 407 F N 1.955 121.913 119.950 0.014 0.000 2.048 407 F HA -0.213 4.316 4.527 0.004 0.000 0.296 407 F C 0.942 176.605 175.800 -0.230 0.000 1.109 407 F CA 1.035 58.920 58.000 -0.192 0.000 1.214 407 F CB -0.741 38.062 39.000 -0.327 0.000 0.963 407 F HN 0.073 nan 8.300 nan 0.000 0.491 408 L N 1.479 122.639 121.223 -0.104 0.000 2.747 408 L HA -0.266 4.076 4.340 0.004 0.000 0.286 408 L C 0.572 177.144 176.870 -0.497 0.000 1.216 408 L CA 0.815 55.397 54.840 -0.429 0.000 0.930 408 L CB -1.077 40.525 42.059 -0.763 0.000 1.216 408 L HN 0.565 nan 8.230 nan 0.000 0.486 409 Y N 0.565 120.810 120.300 -0.091 0.000 4.236 409 Y HA -0.303 4.250 4.550 0.004 0.000 0.220 409 Y C 0.918 176.715 175.900 -0.171 0.000 1.115 409 Y CA 0.289 58.319 58.100 -0.118 0.000 1.811 409 Y CB -1.548 36.884 38.460 -0.047 0.000 1.581 409 Y HN 0.732 nan 8.280 nan 0.000 0.643 410 N N 1.713 120.345 118.700 -0.112 0.000 3.228 410 N HA 0.157 4.899 4.740 0.004 0.000 0.289 410 N C 0.211 175.587 175.510 -0.224 0.000 1.419 410 N CA -0.083 52.888 53.050 -0.133 0.000 1.088 410 N CB -0.272 38.166 38.487 -0.081 0.000 1.357 410 N HN 0.532 nan 8.380 nan 0.000 0.504 411 N N -0.657 117.863 118.700 -0.299 0.000 2.520 411 N HA -0.105 4.638 4.740 0.004 0.000 0.185 411 N C 1.413 176.729 175.510 -0.323 0.000 1.068 411 N CA 0.201 53.018 53.050 -0.389 0.000 0.911 411 N CB 0.268 38.404 38.487 -0.585 0.000 0.961 411 N HN 0.226 nan 8.380 nan 0.000 0.446 412 S N 1.053 116.611 115.700 -0.236 0.000 2.402 412 S HA -0.101 4.371 4.470 0.004 0.000 0.233 412 S C 1.808 176.367 174.600 -0.068 0.000 1.030 412 S CA 0.814 58.926 58.200 -0.147 0.000 1.003 412 S CB -0.094 63.057 63.200 -0.081 0.000 0.813 412 S HN 0.243 nan 8.310 nan 0.000 0.477 413 I N 0.864 121.391 120.570 -0.072 0.000 2.069 413 I HA -0.228 3.944 4.170 0.004 0.000 0.237 413 I C 2.314 178.508 176.117 0.128 0.000 1.053 413 I CA 1.152 62.436 61.300 -0.026 0.000 1.311 413 I CB -0.534 37.371 38.000 -0.158 0.000 1.030 413 I HN 0.318 nan 8.210 nan 0.000 0.398 414 L N 0.870 122.134 121.223 0.068 0.000 1.991 414 L HA -0.278 4.064 4.340 0.004 0.000 0.221 414 L C 2.343 179.216 176.870 0.005 0.000 1.079 414 L CA 1.967 56.740 54.840 -0.110 0.000 0.778 414 L CB -0.907 40.852 42.059 -0.499 0.000 0.893 414 L HN 0.197 nan 8.230 nan 0.000 0.437 415 L N -0.901 120.252 121.223 -0.117 0.000 2.042 415 L HA -0.249 4.093 4.340 0.004 0.000 0.210 415 L C 2.682 179.591 176.870 0.065 0.000 1.076 415 L CA 1.761 56.530 54.840 -0.119 0.000 0.749 415 L CB -0.563 41.374 42.059 -0.204 0.000 0.893 415 L HN 0.479 nan 8.230 nan 0.000 0.432 416 E N -0.460 119.820 120.200 0.134 0.000 2.023 416 E HA -0.264 4.088 4.350 0.004 0.000 0.196 416 E C 2.087 178.848 176.600 0.268 0.000 1.003 416 E CA 1.930 58.458 56.400 0.214 0.000 0.809 416 E CB -0.023 29.863 29.700 0.310 0.000 0.755 416 E HN 0.573 nan 8.360 nan 0.000 0.449 417 H N -1.291 117.875 119.070 0.160 0.000 2.403 417 H HA 0.200 4.758 4.556 0.004 0.000 0.298 417 H C 0.905 176.342 175.328 0.182 0.000 1.059 417 H CA 0.999 57.140 56.048 0.155 0.000 1.363 417 H CB 0.051 29.887 29.762 0.124 0.000 1.410 417 H HN 0.348 nan 8.280 nan 0.000 0.528 418 G N -0.521 108.508 108.800 0.382 0.000 2.650 418 G HA2 -0.167 3.795 3.960 0.004 0.000 0.686 418 G HA3 -0.167 3.795 3.960 0.004 0.000 0.686 418 G C 0.359 175.420 174.900 0.268 0.000 1.205 418 G CA -0.213 45.052 45.100 0.274 0.000 0.781 418 G HN 0.196 nan 8.290 nan 0.000 0.648 419 L N 1.241 122.538 121.223 0.124 0.000 2.012 419 L HA -0.128 4.215 4.340 0.004 0.000 0.210 419 L C 3.303 180.227 176.870 0.090 0.000 1.073 419 L CA 3.304 58.159 54.840 0.026 0.000 0.748 419 L CB -1.717 40.293 42.059 -0.082 0.000 0.891 419 L HN 0.972 nan 8.230 nan 0.000 0.431 420 T N -1.696 112.898 114.554 0.067 0.000 2.635 420 T HA -0.274 4.079 4.350 0.004 0.000 0.267 420 T C 1.854 176.606 174.700 0.086 0.000 1.040 420 T CA 1.122 63.257 62.100 0.058 0.000 1.156 420 T CB -0.288 68.604 68.868 0.041 0.000 0.863 420 T HN 0.214 nan 8.240 nan 0.000 0.430 421 Q N 0.255 120.125 119.800 0.118 0.000 1.967 421 Q HA -0.003 4.339 4.340 0.004 0.000 0.202 421 Q C 2.146 178.174 176.000 0.047 0.000 0.985 421 Q CA 1.417 57.271 55.803 0.086 0.000 0.839 421 Q CB -0.922 27.886 28.738 0.116 0.000 0.906 421 Q HN 0.543 nan 8.270 nan 0.000 0.423 422 F N 0.290 120.172 119.950 -0.113 0.000 2.063 422 F HA -0.361 4.168 4.527 0.004 0.000 0.296 422 F C 2.433 178.110 175.800 -0.204 0.000 1.093 422 F CA 1.681 59.497 58.000 -0.308 0.000 1.229 422 F CB -0.781 38.082 39.000 -0.228 0.000 0.971 422 F HN -0.086 nan 8.300 nan 0.000 0.491 423 V N -0.169 119.842 119.914 0.162 0.000 2.221 423 V HA -0.354 3.769 4.120 0.004 0.000 0.244 423 V C 2.132 178.300 176.094 0.124 0.000 1.043 423 V CA 2.299 64.677 62.300 0.130 0.000 0.996 423 V CB -0.969 30.887 31.823 0.055 0.000 0.636 423 V HN 0.323 nan 8.190 nan 0.000 0.454 424 E N 0.523 120.775 120.200 0.087 0.000 2.082 424 E HA -0.295 4.057 4.350 0.004 0.000 0.215 424 E C 2.300 178.957 176.600 0.095 0.000 1.048 424 E CA 2.212 58.669 56.400 0.095 0.000 0.869 424 E CB -0.465 29.277 29.700 0.069 0.000 0.773 424 E HN 0.576 nan 8.360 nan 0.000 0.466 425 S N 0.586 116.298 115.700 0.020 0.000 2.392 425 S HA -0.201 4.271 4.470 0.004 0.000 0.225 425 S C 1.752 176.441 174.600 0.147 0.000 1.041 425 S CA 1.495 59.687 58.200 -0.014 0.000 1.100 425 S CB -0.585 62.475 63.200 -0.234 0.000 1.029 425 S HN 0.179 nan 8.310 nan 0.000 0.424 426 F N 2.267 122.288 119.950 0.118 0.000 2.236 426 F HA -0.095 4.435 4.527 0.004 0.000 0.302 426 F C 2.672 178.574 175.800 0.169 0.000 1.073 426 F CA 0.774 58.887 58.000 0.188 0.000 1.336 426 F CB -1.881 37.286 39.000 0.278 0.000 1.040 426 F HN 0.190 nan 8.300 nan 0.000 0.507 427 T N 0.315 115.061 114.554 0.320 0.000 3.051 427 T HA -0.135 4.217 4.350 0.004 0.000 0.269 427 T C 1.892 176.719 174.700 0.212 0.000 1.127 427 T CA 1.227 63.464 62.100 0.229 0.000 1.107 427 T CB -0.167 68.811 68.868 0.184 0.000 0.898 427 T HN 0.473 nan 8.240 nan 0.000 0.517 428 R N 0.864 121.484 120.500 0.200 0.000 2.320 428 R HA 0.205 4.547 4.340 0.004 0.000 0.193 428 R C 1.301 177.680 176.300 0.132 0.000 0.885 428 R CA -0.207 55.981 56.100 0.146 0.000 1.085 428 R CB -0.337 30.026 30.300 0.106 0.000 1.253 428 R HN 0.251 nan 8.270 nan 0.000 0.636 429 Q N 2.850 122.746 119.800 0.161 0.000 2.504 429 Q HA -0.020 4.322 4.340 0.004 0.000 0.263 429 Q C -0.028 176.040 176.000 0.113 0.000 1.343 429 Q CA -0.184 55.695 55.803 0.126 0.000 0.924 429 Q CB -0.338 28.515 28.738 0.192 0.000 1.551 429 Q HN 0.359 nan 8.270 nan 0.000 0.520 430 I N 2.512 123.133 120.570 0.085 0.000 3.115 430 I HA -0.106 4.066 4.170 0.004 0.000 0.315 430 I C -0.322 175.898 176.117 0.173 0.000 1.211 430 I CA 0.878 62.243 61.300 0.109 0.000 1.453 430 I CB 0.473 38.540 38.000 0.112 0.000 1.307 430 I HN 0.646 nan 8.210 nan 0.000 0.568 431 A N 5.694 128.603 122.820 0.147 0.000 2.311 431 A HA 0.731 5.054 4.320 0.004 0.000 0.334 431 A C 0.207 177.836 177.584 0.075 0.000 1.139 431 A CA -0.179 51.949 52.037 0.150 0.000 0.830 431 A CB 0.610 19.639 19.000 0.049 0.000 1.234 431 A HN 1.061 nan 8.150 nan 0.000 0.483 432 G N 0.566 109.334 108.800 -0.053 0.000 2.441 432 G HA2 0.387 4.350 3.960 0.004 0.000 0.243 432 G HA3 0.387 4.350 3.960 0.004 0.000 0.243 432 G C 0.413 175.084 174.900 -0.381 0.000 1.281 432 G CA -0.388 44.408 45.100 -0.508 0.000 0.854 432 G HN 0.861 nan 8.290 nan 0.000 0.560 433 R N 0.938 121.182 120.500 -0.426 0.000 2.861 433 R HA 0.144 4.487 4.340 0.004 0.000 0.268 433 R C 0.434 176.517 176.300 -0.361 0.000 1.027 433 R CA -0.122 55.746 56.100 -0.387 0.000 1.163 433 R CB 0.580 30.683 30.300 -0.328 0.000 1.060 433 R HN 0.295 nan 8.270 nan 0.000 0.483 434 V N 1.306 120.982 119.914 -0.397 0.000 3.371 434 V HA 0.079 4.202 4.120 0.004 0.000 0.246 434 V C 1.392 177.370 176.094 -0.193 0.000 1.303 434 V CA 1.049 63.171 62.300 -0.296 0.000 1.156 434 V CB 0.523 32.120 31.823 -0.378 0.000 0.929 434 V HN 0.884 nan 8.190 nan 0.000 0.459 435 A N 0.660 123.362 122.820 -0.197 0.000 2.030 435 A HA 0.225 4.548 4.320 0.004 0.000 0.215 435 A C 2.250 179.770 177.584 -0.108 0.000 1.164 435 A CA 1.305 53.283 52.037 -0.098 0.000 0.697 435 A CB -0.771 18.206 19.000 -0.038 0.000 0.827 435 A HN 0.477 nan 8.150 nan 0.000 0.457 436 G N 0.036 108.752 108.800 -0.140 0.000 2.574 436 G HA2 0.238 4.200 3.960 0.004 0.000 0.220 436 G HA3 0.238 4.200 3.960 0.004 0.000 0.220 436 G C 1.002 175.840 174.900 -0.104 0.000 1.173 436 G CA 1.165 46.192 45.100 -0.122 0.000 0.772 436 G HN 1.823 nan 8.290 nan 0.000 0.585 437 G N -2.181 106.553 108.800 -0.110 0.000 2.335 437 G HA2 0.374 4.337 3.960 0.004 0.000 0.592 437 G HA3 0.374 4.337 3.960 0.004 0.000 0.592 437 G C 0.003 174.849 174.900 -0.089 0.000 1.442 437 G CA -0.150 44.895 45.100 -0.092 0.000 0.976 437 G HN 1.130 nan 8.290 nan 0.000 0.652 438 R N -0.554 119.903 120.500 -0.071 0.000 2.828 438 R HA -0.252 4.091 4.340 0.004 0.000 0.233 438 R C 0.144 176.399 176.300 -0.075 0.000 0.821 438 R CA 1.127 57.191 56.100 -0.060 0.000 0.563 438 R CB -1.212 29.057 30.300 -0.050 0.000 1.117 438 R HN 0.546 nan 8.270 nan 0.000 0.508 439 N N 0.138 118.788 118.700 -0.084 0.000 2.451 439 N HA 0.116 4.858 4.740 0.004 0.000 0.271 439 N C -1.200 174.270 175.510 -0.067 0.000 1.410 439 N CA -0.251 52.731 53.050 -0.114 0.000 0.884 439 N CB 1.188 39.562 38.487 -0.189 0.000 1.332 439 N HN 0.187 nan 8.380 nan 0.000 0.498 440 V N 2.412 122.313 119.914 -0.021 0.000 2.348 440 V HA 0.427 4.550 4.120 0.004 0.000 0.270 440 V C -1.968 174.128 176.094 0.004 0.000 1.037 440 V CA -1.757 60.561 62.300 0.031 0.000 0.872 440 V CB 1.064 32.921 31.823 0.056 0.000 1.002 440 V HN 0.142 nan 8.190 nan 0.000 0.464 441 P HA -0.018 nan 4.420 nan 0.000 0.266 441 P C 0.724 177.958 177.300 -0.109 0.000 1.180 441 P CA 0.284 63.348 63.100 -0.061 0.000 0.765 441 P CB 0.600 32.286 31.700 -0.024 0.000 0.806 442 I N 2.450 122.923 120.570 -0.163 0.000 2.546 442 I HA -0.153 4.019 4.170 0.004 0.000 0.255 442 I C 2.252 178.280 176.117 -0.149 0.000 1.163 442 I CA 1.471 62.693 61.300 -0.131 0.000 1.457 442 I CB -1.165 36.766 38.000 -0.115 0.000 1.092 442 I HN 0.362 nan 8.210 nan 0.000 0.434 443 A N 0.025 122.683 122.820 -0.270 0.000 1.902 443 A HA -0.138 4.184 4.320 0.004 0.000 0.217 443 A C 2.330 179.888 177.584 -0.044 0.000 1.181 443 A CA 1.650 53.568 52.037 -0.198 0.000 0.623 443 A CB -1.051 17.682 19.000 -0.445 0.000 0.818 443 A HN 0.224 nan 8.150 nan 0.000 0.443 444 V N 0.507 120.403 119.914 -0.029 0.000 3.383 444 V HA -0.229 3.893 4.120 0.004 0.000 0.272 444 V C 2.263 178.297 176.094 -0.101 0.000 1.181 444 V CA 1.444 63.740 62.300 -0.007 0.000 1.171 444 V CB -0.921 30.920 31.823 0.029 0.000 0.800 444 V HN 0.613 nan 8.190 nan 0.000 0.515 445 Q N 0.292 120.048 119.800 -0.073 0.000 1.968 445 Q HA -0.397 3.945 4.340 0.004 0.000 0.216 445 Q C 2.410 178.368 176.000 -0.070 0.000 1.037 445 Q CA 2.819 58.584 55.803 -0.064 0.000 0.889 445 Q CB -0.452 28.259 28.738 -0.046 0.000 0.998 445 Q HN 0.646 nan 8.270 nan 0.000 0.417 446 A N -0.074 122.715 122.820 -0.051 0.000 1.894 446 A HA -0.285 4.038 4.320 0.004 0.000 0.220 446 A C 2.242 179.776 177.584 -0.084 0.000 1.237 446 A CA 2.449 54.458 52.037 -0.048 0.000 0.660 446 A CB -1.366 17.618 19.000 -0.026 0.000 0.835 446 A HN 0.351 nan 8.150 nan 0.000 0.461 447 V N -0.465 119.373 119.914 -0.126 0.000 2.223 447 V HA -0.332 3.791 4.120 0.004 0.000 0.246 447 V C 3.062 179.011 176.094 -0.242 0.000 1.045 447 V CA 2.727 64.903 62.300 -0.207 0.000 1.004 447 V CB -1.466 30.178 31.823 -0.298 0.000 0.641 447 V HN 0.762 nan 8.190 nan 0.000 0.457 448 A N -0.902 121.710 122.820 -0.346 0.000 2.009 448 A HA -0.373 3.949 4.320 0.004 0.000 0.222 448 A C 2.320 179.940 177.584 0.060 0.000 1.175 448 A CA 2.658 54.656 52.037 -0.065 0.000 0.651 448 A CB -0.669 18.339 19.000 0.014 0.000 0.815 448 A HN 0.593 nan 8.150 nan 0.000 0.459 449 K N -0.638 119.757 120.400 -0.009 0.000 2.002 449 K HA -0.089 4.234 4.320 0.004 0.000 0.209 449 K C 2.325 178.920 176.600 -0.008 0.000 1.048 449 K CA 1.200 57.498 56.287 0.017 0.000 0.930 449 K CB -0.424 32.074 32.500 -0.004 0.000 0.714 449 K HN 0.388 nan 8.250 nan 0.000 0.438 450 A N 1.305 124.091 122.820 -0.056 0.000 1.859 450 A HA -0.254 4.069 4.320 0.004 0.000 0.218 450 A C 2.139 179.652 177.584 -0.117 0.000 1.209 450 A CA 2.749 54.741 52.037 -0.076 0.000 0.639 450 A CB -1.174 17.768 19.000 -0.097 0.000 0.835 450 A HN 0.486 nan 8.150 nan 0.000 0.450 451 S N -0.101 115.469 115.700 -0.217 0.000 2.432 451 S HA -0.276 4.196 4.470 0.004 0.000 0.243 451 S C 1.665 176.077 174.600 -0.314 0.000 1.069 451 S CA 2.050 60.005 58.200 -0.408 0.000 1.047 451 S CB -0.732 62.019 63.200 -0.750 0.000 0.854 451 S HN 0.553 nan 8.310 nan 0.000 0.474 452 I N 1.486 122.024 120.570 -0.053 0.000 2.364 452 I HA -0.070 4.102 4.170 0.004 0.000 0.241 452 I C 2.092 178.213 176.117 0.006 0.000 1.082 452 I CA 0.852 62.192 61.300 0.067 0.000 1.401 452 I CB -0.476 37.621 38.000 0.162 0.000 1.126 452 I HN 0.044 nan 8.210 nan 0.000 0.429 453 D N 1.285 121.687 120.400 0.003 0.000 2.160 453 D HA -0.246 4.396 4.640 0.004 0.000 0.189 453 D C 2.088 178.383 176.300 -0.007 0.000 1.003 453 D CA 1.565 55.566 54.000 0.002 0.000 0.846 453 D CB -0.624 40.175 40.800 -0.003 0.000 0.949 453 D HN 0.476 nan 8.370 nan 0.000 0.446 454 Q N 0.813 120.593 119.800 -0.033 0.000 1.935 454 Q HA -0.175 4.168 4.340 0.004 0.000 0.212 454 Q C 2.418 178.410 176.000 -0.012 0.000 1.008 454 Q CA 1.991 57.776 55.803 -0.030 0.000 0.868 454 Q CB -0.704 27.999 28.738 -0.059 0.000 0.946 454 Q HN 0.282 nan 8.270 nan 0.000 0.418 455 S N 1.249 116.885 115.700 -0.108 0.000 2.421 455 S HA -0.264 4.208 4.470 0.004 0.000 0.239 455 S C 1.852 176.528 174.600 0.125 0.000 1.054 455 S CA 1.838 59.956 58.200 -0.136 0.000 1.035 455 S CB -0.441 62.412 63.200 -0.578 0.000 0.840 455 S HN 0.289 nan 8.310 nan 0.000 0.475 456 R N 1.343 121.878 120.500 0.059 0.000 2.066 456 R HA -0.055 4.287 4.340 0.004 0.000 0.232 456 R C 2.586 178.933 176.300 0.077 0.000 1.131 456 R CA 1.643 57.792 56.100 0.081 0.000 0.955 456 R CB -0.316 30.015 30.300 0.051 0.000 0.851 456 R HN 0.668 nan 8.270 nan 0.000 0.432 457 E N 0.644 120.876 120.200 0.052 0.000 2.038 457 E HA -0.215 4.138 4.350 0.004 0.000 0.195 457 E C 1.419 178.038 176.600 0.033 0.000 1.000 457 E CA 1.310 57.730 56.400 0.034 0.000 0.803 457 E CB -0.274 29.437 29.700 0.017 0.000 0.750 457 E HN 0.310 nan 8.360 nan 0.000 0.448 458 M N 1.511 121.148 119.600 0.062 0.000 2.804 458 M HA 0.019 4.501 4.480 0.004 0.000 0.208 458 M C -0.437 175.907 176.300 0.073 0.000 1.109 458 M CA 0.356 55.682 55.300 0.044 0.000 1.029 458 M CB -0.253 32.422 32.600 0.124 0.000 1.806 458 M HN -0.099 nan 8.290 nan 0.000 0.491 459 K N -0.521 119.928 120.400 0.082 0.000 3.139 459 K HA -0.230 4.093 4.320 0.004 0.000 0.261 459 K C -0.603 176.077 176.600 0.133 0.000 0.895 459 K CA 0.929 57.266 56.287 0.084 0.000 0.664 459 K CB -2.387 30.125 32.500 0.020 0.000 1.388 459 K HN 0.405 nan 8.250 nan 0.000 0.472 460 Y N 0.876 121.218 120.300 0.071 0.000 2.641 460 Y HA -0.151 4.401 4.550 0.003 0.000 0.351 460 Y C 1.878 177.905 175.900 0.212 0.000 1.269 460 Y CA 0.911 59.112 58.100 0.169 0.000 1.485 460 Y CB 0.447 38.986 38.460 0.131 0.000 1.364 460 Y HN 0.221 nan 8.280 nan 0.000 0.651 461 Q N 0.002 120.124 119.800 0.536 0.000 2.162 461 Q HA 0.289 4.631 4.340 0.004 0.000 0.197 461 Q C -0.252 175.956 176.000 0.346 0.000 1.013 461 Q CA -0.749 55.197 55.803 0.238 0.000 1.040 461 Q CB 1.239 29.855 28.738 -0.203 0.000 1.114 461 Q HN 0.718 nan 8.270 nan 0.000 0.547 462 S N -0.183 115.610 115.700 0.155 0.000 2.579 462 S HA -0.012 4.460 4.470 0.004 0.000 0.275 462 S C 0.881 175.618 174.600 0.229 0.000 1.345 462 S CA -0.361 57.935 58.200 0.160 0.000 1.031 462 S CB 0.463 63.703 63.200 0.066 0.000 0.892 462 S HN 0.636 nan 8.310 nan 0.000 0.529 463 L N 3.796 125.123 121.223 0.174 0.000 2.191 463 L HA -0.011 4.331 4.340 0.004 0.000 0.212 463 L C 1.881 178.793 176.870 0.070 0.000 1.103 463 L CA 1.848 56.776 54.840 0.147 0.000 0.769 463 L CB -0.618 41.463 42.059 0.037 0.000 0.908 463 L HN 0.852 nan 8.230 nan 0.000 0.438 464 N N -0.951 117.758 118.700 0.014 0.000 2.331 464 N HA -0.139 4.604 4.740 0.004 0.000 0.180 464 N C 1.535 177.027 175.510 -0.030 0.000 1.019 464 N CA 0.759 53.784 53.050 -0.042 0.000 0.881 464 N CB 0.109 38.566 38.487 -0.049 0.000 0.972 464 N HN 0.369 nan 8.380 nan 0.000 0.435 465 E N 0.596 120.783 120.200 -0.020 0.000 2.006 465 E HA -0.153 4.199 4.350 0.004 0.000 0.192 465 E C 1.527 178.080 176.600 -0.079 0.000 0.993 465 E CA 1.220 57.560 56.400 -0.099 0.000 0.808 465 E CB -0.675 28.908 29.700 -0.194 0.000 0.764 465 E HN 0.483 nan 8.360 nan 0.000 0.449 466 Y N 1.073 121.396 120.300 0.039 0.000 2.465 466 Y HA -0.143 4.409 4.550 0.003 0.000 0.289 466 Y C 2.533 178.450 175.900 0.029 0.000 1.150 466 Y CA 1.066 59.209 58.100 0.071 0.000 1.293 466 Y CB -0.150 38.338 38.460 0.046 0.000 0.977 466 Y HN -0.002 nan 8.280 nan 0.000 0.556 467 R N -0.010 120.546 120.500 0.092 0.000 2.052 467 R HA -0.089 4.253 4.340 0.004 0.000 0.226 467 R C 2.234 178.553 176.300 0.031 0.000 1.145 467 R CA 1.052 57.145 56.100 -0.011 0.000 0.952 467 R CB -0.148 30.069 30.300 -0.139 0.000 0.847 467 R HN 0.211 nan 8.270 nan 0.000 0.431 468 K N 0.230 120.628 120.400 -0.003 0.000 2.044 468 K HA -0.222 4.100 4.320 0.004 0.000 0.210 468 K C 2.155 178.770 176.600 0.025 0.000 1.049 468 K CA 1.224 57.502 56.287 -0.015 0.000 0.927 468 K CB -0.171 32.298 32.500 -0.052 0.000 0.713 468 K HN -0.081 nan 8.250 nan 0.000 0.443 469 R N 1.076 121.616 120.500 0.067 0.000 2.136 469 R HA -0.145 4.197 4.340 0.004 0.000 0.242 469 R C 1.249 177.586 176.300 0.061 0.000 1.131 469 R CA 1.733 57.881 56.100 0.080 0.000 0.937 469 R CB -1.018 29.425 30.300 0.238 0.000 0.863 469 R HN 0.202 nan 8.270 nan 0.000 0.435 470 F N 1.501 121.407 119.950 -0.072 0.000 2.843 470 F HA 0.085 4.614 4.527 0.004 0.000 0.290 470 F C 0.565 176.330 175.800 -0.058 0.000 1.221 470 F CA 0.233 58.177 58.000 -0.095 0.000 1.413 470 F CB -0.328 38.604 39.000 -0.112 0.000 1.019 470 F HN 0.037 nan 8.300 nan 0.000 0.512 471 S N 0.024 115.774 115.700 0.083 0.000 3.550 471 S HA -0.245 4.228 4.470 0.004 0.000 0.372 471 S C -0.423 174.216 174.600 0.065 0.000 0.966 471 S CA 0.122 58.362 58.200 0.067 0.000 1.229 471 S CB -2.477 60.782 63.200 0.098 0.000 0.917 471 S HN 0.442 nan 8.310 nan 0.000 0.496 472 L N 0.398 121.642 121.223 0.036 0.000 2.341 472 L HA 0.468 4.811 4.340 0.004 0.000 0.278 472 L C 0.590 177.424 176.870 -0.060 0.000 1.005 472 L CA -1.053 53.779 54.840 -0.014 0.000 0.818 472 L CB 1.160 43.187 42.059 -0.053 0.000 1.259 472 L HN 0.063 nan 8.230 nan 0.000 0.418 473 K N 3.857 124.222 120.400 -0.057 0.000 2.451 473 K HA 0.174 4.496 4.320 0.004 0.000 0.280 473 K C -2.261 174.254 176.600 -0.141 0.000 1.020 473 K CA -1.334 54.916 56.287 -0.061 0.000 1.008 473 K CB 0.408 32.897 32.500 -0.018 0.000 0.917 473 K HN 0.269 nan 8.250 nan 0.000 0.478 474 P HA 0.055 nan 4.420 nan 0.000 0.272 474 P C -0.599 176.642 177.300 -0.099 0.000 1.230 474 P CA -0.089 62.913 63.100 -0.164 0.000 0.788 474 P CB 0.339 31.986 31.700 -0.088 0.000 0.949 475 Y N 0.287 120.548 120.300 -0.066 0.000 2.436 475 Y HA 0.022 4.575 4.550 0.005 0.000 0.336 475 Y C 2.251 178.091 175.900 -0.099 0.000 1.049 475 Y CA -0.275 57.774 58.100 -0.086 0.000 1.294 475 Y CB 0.563 38.946 38.460 -0.127 0.000 1.179 475 Y HN 0.422 nan 8.280 nan 0.000 0.520 476 T N -1.213 113.418 114.554 0.128 0.000 3.055 476 T HA -0.001 4.352 4.350 0.004 0.000 0.265 476 T C 0.414 175.134 174.700 0.033 0.000 1.111 476 T CA 0.584 62.717 62.100 0.054 0.000 1.118 476 T CB -0.033 68.867 68.868 0.054 0.000 0.909 476 T HN 0.494 nan 8.240 nan 0.000 0.501 477 S N -1.044 114.663 115.700 0.013 0.000 2.537 477 S HA 0.533 5.005 4.470 0.004 0.000 0.271 477 S C -0.091 174.508 174.600 -0.003 0.000 1.148 477 S CA -0.916 57.316 58.200 0.053 0.000 0.868 477 S CB 0.451 63.697 63.200 0.077 0.000 1.115 477 S HN -0.049 nan 8.310 nan 0.000 0.461 478 F N 1.332 121.250 119.950 -0.054 0.000 2.250 478 F HA 0.059 4.586 4.527 -0.001 0.000 0.301 478 F C 2.480 178.199 175.800 -0.134 0.000 1.077 478 F CA 1.580 59.523 58.000 -0.096 0.000 1.348 478 F CB -0.439 38.517 39.000 -0.074 0.000 1.040 478 F HN 0.808 nan 8.300 nan 0.000 0.509 479 E N 0.147 120.406 120.200 0.098 0.000 2.204 479 E HA -0.234 4.118 4.350 0.004 0.000 0.194 479 E C 2.167 178.711 176.600 -0.094 0.000 0.989 479 E CA 1.074 57.473 56.400 -0.001 0.000 0.824 479 E CB -0.056 29.650 29.700 0.010 0.000 0.756 479 E HN 0.543 nan 8.360 nan 0.000 0.477 480 E N -0.014 120.099 120.200 -0.146 0.000 2.072 480 E HA -0.181 4.171 4.350 0.004 0.000 0.190 480 E C 2.070 178.315 176.600 -0.592 0.000 0.982 480 E CA 0.791 57.032 56.400 -0.265 0.000 0.803 480 E CB -0.058 29.529 29.700 -0.187 0.000 0.755 480 E HN 0.255 nan 8.360 nan 0.000 0.453 481 L N 0.661 121.433 121.223 -0.751 0.000 2.191 481 L HA -0.082 4.260 4.340 0.004 0.000 0.212 481 L C 1.851 178.468 176.870 -0.422 0.000 1.103 481 L CA 2.412 56.684 54.840 -0.947 0.000 0.769 481 L CB -0.365 41.393 42.059 -0.502 0.000 0.908 481 L HN 0.257 nan 8.230 nan 0.000 0.438 482 T N -4.396 110.008 114.554 -0.250 0.000 2.999 482 T HA 0.513 4.865 4.350 0.004 0.000 0.247 482 T C 1.540 176.171 174.700 -0.114 0.000 1.012 482 T CA 0.341 62.357 62.100 -0.140 0.000 1.048 482 T CB 0.269 69.090 68.868 -0.079 0.000 1.020 482 T HN 0.484 nan 8.240 nan 0.000 0.478 483 G N 2.567 111.297 108.800 -0.116 0.000 3.909 483 G HA2 -0.318 3.644 3.960 0.004 0.000 0.218 483 G HA3 -0.318 3.644 3.960 0.004 0.000 0.218 483 G C 0.179 175.045 174.900 -0.056 0.000 1.404 483 G CA 0.233 45.285 45.100 -0.080 0.000 0.905 483 G HN 0.946 nan 8.290 nan 0.000 0.589 484 E N 1.862 122.030 120.200 -0.053 0.000 2.422 484 E HA 0.565 4.918 4.350 0.004 0.000 0.260 484 E C 0.977 177.555 176.600 -0.035 0.000 1.108 484 E CA 0.568 56.943 56.400 -0.042 0.000 0.943 484 E CB 0.490 30.164 29.700 -0.043 0.000 0.961 484 E HN 0.578 nan 8.360 nan 0.000 0.443 485 K N 0.686 121.068 120.400 -0.030 0.000 2.334 485 K HA 0.012 4.334 4.320 0.004 0.000 0.195 485 K C 1.395 177.977 176.600 -0.031 0.000 1.045 485 K CA -0.076 56.195 56.287 -0.026 0.000 1.004 485 K CB 0.110 32.596 32.500 -0.024 0.000 0.837 485 K HN 0.470 nan 8.250 nan 0.000 0.510 486 E N 1.825 122.006 120.200 -0.032 0.000 1.964 486 E HA -0.197 4.155 4.350 0.004 0.000 0.209 486 E C 1.943 178.520 176.600 -0.038 0.000 0.988 486 E CA 1.577 57.956 56.400 -0.034 0.000 0.875 486 E CB -0.189 29.491 29.700 -0.033 0.000 0.813 486 E HN 0.151 nan 8.360 nan 0.000 0.533 487 M N 0.361 119.941 119.600 -0.034 0.000 2.147 487 M HA -0.327 4.155 4.480 0.004 0.000 0.253 487 M C 2.388 178.670 176.300 -0.030 0.000 1.075 487 M CA 2.124 57.406 55.300 -0.030 0.000 1.085 487 M CB -0.648 31.936 32.600 -0.028 0.000 1.305 487 M HN 0.262 nan 8.290 nan 0.000 0.409 488 A N 0.560 123.371 122.820 -0.015 0.000 1.873 488 A HA -0.278 4.044 4.320 0.004 0.000 0.219 488 A C 2.405 179.929 177.584 -0.101 0.000 1.269 488 A CA 3.071 55.115 52.037 0.013 0.000 0.671 488 A CB -1.486 17.530 19.000 0.027 0.000 0.842 488 A HN 0.591 nan 8.150 nan 0.000 0.460 489 A N -0.694 122.071 122.820 -0.092 0.000 1.892 489 A HA -0.253 4.070 4.320 0.004 0.000 0.218 489 A C 1.982 179.474 177.584 -0.153 0.000 1.188 489 A CA 2.614 54.575 52.037 -0.127 0.000 0.631 489 A CB -0.693 18.262 19.000 -0.076 0.000 0.822 489 A HN 0.716 nan 8.150 nan 0.000 0.447 490 E N -0.014 120.125 120.200 -0.102 0.000 2.118 490 E HA -0.166 4.186 4.350 0.004 0.000 0.195 490 E C 1.754 178.296 176.600 -0.096 0.000 0.992 490 E CA 1.558 57.910 56.400 -0.080 0.000 0.804 490 E CB -0.404 29.269 29.700 -0.044 0.000 0.741 490 E HN 0.610 nan 8.360 nan 0.000 0.458 491 L N -0.016 121.127 121.223 -0.133 0.000 2.023 491 L HA -0.082 4.260 4.340 0.004 0.000 0.205 491 L C 2.470 179.085 176.870 -0.426 0.000 1.073 491 L CA 1.388 56.156 54.840 -0.120 0.000 0.745 491 L CB -0.445 41.623 42.059 0.015 0.000 0.900 491 L HN 0.095 nan 8.230 nan 0.000 0.435 492 K N 0.759 120.573 120.400 -0.977 0.000 2.228 492 K HA -0.213 4.109 4.320 0.004 0.000 0.205 492 K C 1.812 178.159 176.600 -0.421 0.000 1.045 492 K CA 1.582 57.182 56.287 -1.144 0.000 0.931 492 K CB -0.278 31.751 32.500 -0.785 0.000 0.727 492 K HN 0.303 nan 8.250 nan 0.000 0.458 493 A N 0.463 123.127 122.820 -0.259 0.000 1.855 493 A HA -0.068 4.254 4.320 0.004 0.000 0.215 493 A C 2.214 179.754 177.584 -0.074 0.000 1.191 493 A CA 1.589 53.550 52.037 -0.126 0.000 0.613 493 A CB -0.634 18.312 19.000 -0.089 0.000 0.829 493 A HN 0.313 nan 8.150 nan 0.000 0.442 494 L N -2.547 118.656 121.223 -0.033 0.000 2.056 494 L HA -0.143 4.200 4.340 0.004 0.000 0.207 494 L C 2.435 179.310 176.870 0.009 0.000 1.078 494 L CA 1.301 56.148 54.840 0.012 0.000 0.749 494 L CB -0.372 41.746 42.059 0.098 0.000 0.901 494 L HN 0.488 nan 8.230 nan 0.000 0.433 495 Y N -1.280 119.033 120.300 0.021 0.000 2.503 495 Y HA 0.013 4.564 4.550 0.002 0.000 0.277 495 Y C 1.976 177.983 175.900 0.178 0.000 1.102 495 Y CA 0.274 58.475 58.100 0.169 0.000 1.261 495 Y CB 0.280 38.990 38.460 0.417 0.000 1.096 495 Y HN 0.153 nan 8.280 nan 0.000 0.546 496 S N -1.029 114.802 115.700 0.219 0.000 4.157 496 S HA -0.314 4.158 4.470 0.004 0.000 0.462 496 S C 0.162 174.971 174.600 0.348 0.000 1.862 496 S CA 1.361 59.660 58.200 0.166 0.000 4.246 496 S CB -1.475 61.792 63.200 0.113 0.000 0.237 496 S HN 0.475 nan 8.310 nan 0.000 0.454 497 D N 2.180 122.775 120.400 0.326 0.000 2.325 497 D HA 0.439 5.082 4.640 0.004 0.000 0.251 497 D C 0.934 177.390 176.300 0.260 0.000 1.196 497 D CA -0.164 53.999 54.000 0.271 0.000 0.866 497 D CB 0.940 41.833 40.800 0.154 0.000 1.101 497 D HN 0.258 nan 8.370 nan 0.000 0.476 498 I N 4.289 124.916 120.570 0.094 0.000 2.143 498 I HA -0.339 3.833 4.170 0.004 0.000 0.245 498 I C 1.318 177.271 176.117 -0.273 0.000 1.068 498 I CA 1.691 62.679 61.300 -0.519 0.000 1.326 498 I CB -0.204 37.567 38.000 -0.381 0.000 1.028 498 I HN 0.436 nan 8.210 nan 0.000 0.412 499 D N 0.362 120.716 120.400 -0.075 0.000 2.127 499 D HA -0.185 4.457 4.640 0.004 0.000 0.190 499 D C 2.091 178.406 176.300 0.025 0.000 1.000 499 D CA 2.158 56.143 54.000 -0.024 0.000 0.839 499 D CB -0.818 39.988 40.800 0.010 0.000 0.955 499 D HN 0.338 nan 8.370 nan 0.000 0.446 500 V N 0.896 120.873 119.914 0.106 0.000 3.398 500 V HA -0.152 3.970 4.120 0.004 0.000 0.275 500 V C 1.059 177.362 176.094 0.348 0.000 1.207 500 V CA 0.164 62.589 62.300 0.209 0.000 1.189 500 V CB -1.057 30.910 31.823 0.240 0.000 0.838 500 V HN 0.146 nan 8.190 nan 0.000 0.546 501 M N 1.783 121.438 119.600 0.091 0.000 2.219 501 M HA 0.212 4.695 4.480 0.004 0.000 0.353 501 M C 0.348 176.645 176.300 -0.005 0.000 1.304 501 M CA -0.395 54.788 55.300 -0.196 0.000 1.115 501 M CB -0.291 32.042 32.600 -0.446 0.000 1.664 501 M HN 0.351 nan 8.290 nan 0.000 0.459 502 E N 3.503 123.749 120.200 0.076 0.000 2.366 502 E HA 0.037 4.389 4.350 0.004 0.000 0.266 502 E C 0.647 177.268 176.600 0.035 0.000 1.051 502 E CA -0.426 56.063 56.400 0.148 0.000 0.884 502 E CB 1.051 30.901 29.700 0.251 0.000 1.006 502 E HN 0.741 nan 8.360 nan 0.000 0.417 503 L N 4.222 125.478 121.223 0.055 0.000 1.937 503 L HA -0.257 4.085 4.340 0.004 0.000 0.213 503 L C 2.156 179.006 176.870 -0.033 0.000 1.077 503 L CA 1.870 56.705 54.840 -0.007 0.000 0.758 503 L CB -0.933 41.082 42.059 -0.074 0.000 0.888 503 L HN 0.729 nan 8.230 nan 0.000 0.433 504 Y N 1.241 121.442 120.300 -0.165 0.000 2.038 504 Y HA -0.286 4.267 4.550 0.005 0.000 0.266 504 Y C -0.649 175.218 175.900 -0.055 0.000 1.220 504 Y CA 2.780 60.797 58.100 -0.139 0.000 1.107 504 Y CB -2.167 36.198 38.460 -0.157 0.000 0.932 504 Y HN 0.310 nan 8.280 nan 0.000 0.500 505 P HA -0.217 nan 4.420 nan 0.000 0.210 505 P C 1.673 178.831 177.300 -0.236 0.000 1.189 505 P CA 2.846 65.784 63.100 -0.269 0.000 0.920 505 P CB -0.614 31.056 31.700 -0.050 0.000 0.782 506 A N -1.023 121.704 122.820 -0.155 0.000 2.067 506 A HA -0.237 4.085 4.320 0.004 0.000 0.224 506 A C 2.267 179.798 177.584 -0.089 0.000 1.172 506 A CA 1.832 53.801 52.037 -0.114 0.000 0.662 506 A CB -1.867 17.084 19.000 -0.081 0.000 0.814 506 A HN 0.144 nan 8.150 nan 0.000 0.468 507 L N -1.292 119.853 121.223 -0.130 0.000 2.044 507 L HA -0.091 4.251 4.340 0.004 0.000 0.205 507 L C 2.512 179.321 176.870 -0.101 0.000 1.075 507 L CA 1.083 55.867 54.840 -0.092 0.000 0.747 507 L CB -0.328 41.678 42.059 -0.088 0.000 0.903 507 L HN 0.367 nan 8.230 nan 0.000 0.435 508 L N -1.193 119.905 121.223 -0.208 0.000 2.217 508 L HA -0.126 4.217 4.340 0.004 0.000 0.211 508 L C 2.140 178.935 176.870 -0.126 0.000 1.107 508 L CA 0.543 55.280 54.840 -0.171 0.000 0.783 508 L CB -0.130 41.775 42.059 -0.257 0.000 0.919 508 L HN 0.108 nan 8.230 nan 0.000 0.442 509 V N -1.427 118.412 119.914 -0.125 0.000 3.354 509 V HA -0.026 4.096 4.120 0.004 0.000 0.258 509 V C 1.316 177.364 176.094 -0.078 0.000 1.159 509 V CA 0.080 62.324 62.300 -0.094 0.000 1.125 509 V CB -0.197 31.575 31.823 -0.084 0.000 0.774 509 V HN 0.335 nan 8.190 nan 0.000 0.464 510 E N 1.650 121.813 120.200 -0.062 0.000 2.570 510 E HA -0.182 4.170 4.350 0.004 0.000 0.274 510 E C 0.487 177.058 176.600 -0.049 0.000 1.073 510 E CA 0.365 56.746 56.400 -0.031 0.000 1.005 510 E CB 0.257 29.976 29.700 0.033 0.000 1.008 510 E HN 0.226 nan 8.360 nan 0.000 0.460 511 K N 4.395 124.759 120.400 -0.059 0.000 2.206 511 K HA 0.201 4.523 4.320 0.004 0.000 0.268 511 K C -2.408 174.181 176.600 -0.019 0.000 1.111 511 K CA -1.767 54.483 56.287 -0.062 0.000 0.955 511 K CB 0.402 32.841 32.500 -0.102 0.000 1.406 511 K HN 0.169 nan 8.250 nan 0.000 0.427 512 P HA -0.127 nan 4.420 nan 0.000 0.272 512 P C -0.476 176.827 177.300 0.005 0.000 1.194 512 P CA 0.363 63.451 63.100 -0.020 0.000 0.777 512 P CB 0.429 32.086 31.700 -0.072 0.000 0.814 513 R N 2.714 123.232 120.500 0.030 0.000 2.528 513 R HA 0.279 4.622 4.340 0.004 0.000 0.271 513 R C -1.909 174.381 176.300 -0.017 0.000 1.056 513 R CA -1.783 54.336 56.100 0.033 0.000 1.117 513 R CB -0.576 29.793 30.300 0.116 0.000 1.085 513 R HN 0.335 nan 8.270 nan 0.000 0.530 514 P HA -0.197 nan 4.420 nan 0.000 0.191 514 P C -0.972 176.298 177.300 -0.050 0.000 0.942 514 P CA 1.180 64.262 63.100 -0.029 0.000 1.312 514 P CB -0.153 31.544 31.700 -0.005 0.000 1.452 515 D N -1.670 118.694 120.400 -0.061 0.000 2.876 515 D HA -0.171 4.472 4.640 0.004 0.000 0.196 515 D C 0.534 176.764 176.300 -0.118 0.000 1.014 515 D CA 1.301 55.250 54.000 -0.085 0.000 1.012 515 D CB -1.327 39.427 40.800 -0.077 0.000 1.080 515 D HN 0.467 nan 8.370 nan 0.000 0.438 516 A N 0.541 123.302 122.820 -0.099 0.000 2.280 516 A HA 0.587 4.909 4.320 0.004 0.000 0.268 516 A C 1.454 178.894 177.584 -0.240 0.000 1.111 516 A CA 0.263 52.223 52.037 -0.128 0.000 0.814 516 A CB 0.519 19.526 19.000 0.011 0.000 1.093 516 A HN 0.240 nan 8.150 nan 0.000 0.498 517 I N -2.101 118.222 120.570 -0.412 0.000 3.854 517 I HA 0.328 4.500 4.170 0.004 0.000 0.312 517 I C -0.801 174.858 176.117 -0.764 0.000 1.273 517 I CA 0.071 60.970 61.300 -0.668 0.000 1.298 517 I CB 0.015 37.415 38.000 -1.000 0.000 1.071 517 I HN 0.409 nan 8.210 nan 0.000 0.428 518 F N 0.080 119.911 119.950 -0.198 0.000 2.598 518 F HA 0.685 5.214 4.527 0.003 0.000 0.327 518 F C 0.973 176.741 175.800 -0.055 0.000 1.057 518 F CA -0.797 57.111 58.000 -0.153 0.000 0.957 518 F CB 0.732 39.649 39.000 -0.139 0.000 1.278 518 F HN -0.195 nan 8.300 nan 0.000 0.484 519 G N -0.273 108.650 108.800 0.205 0.000 2.509 519 G HA2 0.209 4.172 3.960 0.004 0.000 0.269 519 G HA3 0.209 4.172 3.960 0.004 0.000 0.269 519 G C 0.624 175.629 174.900 0.175 0.000 1.416 519 G CA -0.122 45.067 45.100 0.148 0.000 1.052 519 G HN 0.686 nan 8.290 nan 0.000 0.542 520 E N -1.188 119.115 120.200 0.171 0.000 2.060 520 E HA -0.096 4.256 4.350 0.004 0.000 0.189 520 E C 2.300 178.946 176.600 0.076 0.000 0.974 520 E CA 1.473 57.967 56.400 0.156 0.000 0.808 520 E CB -0.572 29.230 29.700 0.169 0.000 0.768 520 E HN 0.373 nan 8.360 nan 0.000 0.453 521 T N 1.894 116.478 114.554 0.051 0.000 2.565 521 T HA -0.290 4.063 4.350 0.004 0.000 0.265 521 T C 1.901 176.556 174.700 -0.074 0.000 1.082 521 T CA 2.621 64.698 62.100 -0.037 0.000 1.173 521 T CB -0.444 68.410 68.868 -0.023 0.000 0.864 521 T HN 0.313 nan 8.240 nan 0.000 0.425 522 M N 0.476 120.050 119.600 -0.044 0.000 2.144 522 M HA -0.117 4.366 4.480 0.004 0.000 0.260 522 M C 2.113 178.334 176.300 -0.131 0.000 1.067 522 M CA 1.505 56.743 55.300 -0.103 0.000 1.095 522 M CB -0.404 32.114 32.600 -0.137 0.000 1.365 522 M HN 0.099 nan 8.290 nan 0.000 0.406 523 V N 0.412 120.285 119.914 -0.069 0.000 2.244 523 V HA -0.216 3.906 4.120 0.004 0.000 0.244 523 V C 2.214 178.303 176.094 -0.008 0.000 1.042 523 V CA 1.911 64.193 62.300 -0.030 0.000 1.006 523 V CB -0.699 31.149 31.823 0.042 0.000 0.641 523 V HN 0.443 nan 8.190 nan 0.000 0.446 524 E N -0.292 119.903 120.200 -0.009 0.000 2.510 524 E HA -0.080 4.272 4.350 0.004 0.000 0.202 524 E C 1.768 178.295 176.600 -0.123 0.000 1.072 524 E CA 0.690 57.087 56.400 -0.004 0.000 0.883 524 E CB -0.096 29.620 29.700 0.026 0.000 0.818 524 E HN 0.493 nan 8.360 nan 0.000 0.548 525 L N -1.773 119.287 121.223 -0.272 0.000 2.347 525 L HA 0.158 4.500 4.340 0.004 0.000 0.196 525 L C 2.113 178.875 176.870 -0.180 0.000 1.072 525 L CA 0.925 55.389 54.840 -0.627 0.000 0.817 525 L CB -0.636 41.049 42.059 -0.623 0.000 1.029 525 L HN 0.116 nan 8.230 nan 0.000 0.478 526 G N -0.268 108.597 108.800 0.108 0.000 2.534 526 G HA2 -0.102 3.860 3.960 0.004 0.000 0.217 526 G HA3 -0.102 3.860 3.960 0.004 0.000 0.217 526 G C 1.691 176.800 174.900 0.350 0.000 1.128 526 G CA 0.793 46.166 45.100 0.456 0.000 0.784 526 G HN 0.398 nan 8.290 nan 0.000 0.542 527 A N 1.803 124.725 122.820 0.171 0.000 1.851 527 A HA 0.043 4.365 4.320 0.004 0.000 0.216 527 A C 0.744 178.399 177.584 0.117 0.000 1.195 527 A CA 1.962 54.083 52.037 0.139 0.000 0.622 527 A CB -1.131 17.929 19.000 0.099 0.000 0.831 527 A HN 0.380 nan 8.150 nan 0.000 0.444 528 P HA -0.092 nan 4.420 nan 0.000 0.210 528 P C 1.427 178.779 177.300 0.087 0.000 1.192 528 P CA 0.912 64.041 63.100 0.050 0.000 0.913 528 P CB -0.343 31.358 31.700 0.003 0.000 0.774 529 F N 0.041 119.994 119.950 0.005 0.000 2.079 529 F HA -0.339 4.191 4.527 0.004 0.000 0.296 529 F C 2.699 178.138 175.800 -0.603 0.000 1.084 529 F CA 1.494 59.301 58.000 -0.321 0.000 1.236 529 F CB -0.851 37.931 39.000 -0.362 0.000 0.984 529 F HN 0.048 nan 8.300 nan 0.000 0.488 530 S N 0.404 116.047 115.700 -0.095 0.000 2.336 530 S HA -0.163 4.309 4.470 0.004 0.000 0.214 530 S C 1.720 176.284 174.600 -0.061 0.000 1.032 530 S CA 0.820 58.987 58.200 -0.055 0.000 1.001 530 S CB -0.532 62.831 63.200 0.272 0.000 0.953 530 S HN 0.154 nan 8.310 nan 0.000 0.430 531 L N 1.630 122.856 121.223 0.005 0.000 2.661 531 L HA 0.053 4.396 4.340 0.004 0.000 0.236 531 L C 2.150 179.001 176.870 -0.031 0.000 1.176 531 L CA 1.306 56.131 54.840 -0.025 0.000 0.836 531 L CB -0.886 41.161 42.059 -0.020 0.000 0.960 531 L HN 0.243 nan 8.230 nan 0.000 0.455 532 K N -0.206 120.182 120.400 -0.019 0.000 2.074 532 K HA 0.112 4.434 4.320 0.004 0.000 0.214 532 K C 1.925 178.520 176.600 -0.009 0.000 1.029 532 K CA 1.136 57.453 56.287 0.050 0.000 0.966 532 K CB -1.151 31.348 32.500 -0.002 0.000 0.945 532 K HN 0.176 nan 8.250 nan 0.000 0.453 533 G N 2.311 111.022 108.800 -0.148 0.000 2.697 533 G HA2 -0.236 3.726 3.960 0.004 0.000 0.223 533 G HA3 -0.236 3.726 3.960 0.004 0.000 0.223 533 G C 1.360 176.164 174.900 -0.159 0.000 1.083 533 G CA 0.744 45.721 45.100 -0.205 0.000 0.722 533 G HN 0.175 nan 8.290 nan 0.000 0.604 534 L N -0.692 120.458 121.223 -0.122 0.000 2.084 534 L HA 0.256 4.598 4.340 0.004 0.000 0.202 534 L C 2.746 179.573 176.870 -0.073 0.000 1.074 534 L CA 1.278 56.049 54.840 -0.114 0.000 0.757 534 L CB -0.678 41.310 42.059 -0.117 0.000 0.918 534 L HN 0.123 nan 8.230 nan 0.000 0.444 535 M N -0.521 119.064 119.600 -0.026 0.000 2.191 535 M HA 0.110 4.592 4.480 0.004 0.000 0.262 535 M C 2.110 178.584 176.300 0.290 0.000 1.083 535 M CA 1.282 56.587 55.300 0.009 0.000 1.154 535 M CB -1.990 30.395 32.600 -0.358 0.000 1.344 535 M HN 0.250 nan 8.290 nan 0.000 0.431 536 G N 1.302 110.387 108.800 0.474 0.000 2.601 536 G HA2 -0.203 3.759 3.960 0.004 0.000 0.214 536 G HA3 -0.203 3.759 3.960 0.004 0.000 0.214 536 G C 0.746 175.774 174.900 0.213 0.000 1.132 536 G CA 0.189 45.483 45.100 0.323 0.000 0.761 536 G HN 0.519 nan 8.290 nan 0.000 0.550 537 N N 0.776 119.593 118.700 0.194 0.000 2.518 537 N HA 0.083 4.826 4.740 0.004 0.000 0.266 537 N C -0.975 174.621 175.510 0.143 0.000 1.196 537 N CA -1.454 51.662 53.050 0.109 0.000 0.947 537 N CB 1.999 40.524 38.487 0.064 0.000 1.098 537 N HN -0.136 nan 8.380 nan 0.000 0.450 538 P HA -0.252 nan 4.420 nan 0.000 0.212 538 P C 1.611 178.730 177.300 -0.302 0.000 1.174 538 P CA 1.701 64.655 63.100 -0.243 0.000 0.934 538 P CB -0.298 31.134 31.700 -0.446 0.000 0.791 539 I N -1.992 118.445 120.570 -0.222 0.000 2.707 539 I HA -0.223 3.949 4.170 0.004 0.000 0.266 539 I C 1.470 177.790 176.117 0.338 0.000 1.215 539 I CA 1.656 63.050 61.300 0.156 0.000 1.442 539 I CB -1.016 37.236 38.000 0.420 0.000 1.108 539 I HN -0.108 nan 8.210 nan 0.000 0.464 540 C N 1.026 120.450 119.300 0.206 0.000 2.791 540 C HA 0.283 4.745 4.460 0.004 0.000 0.270 540 C C 1.603 176.699 174.990 0.176 0.000 1.257 540 C CA 0.213 59.336 59.018 0.174 0.000 1.699 540 C CB -1.872 26.059 27.740 0.319 0.000 1.904 540 C HN 0.722 nan 8.230 nan 0.000 0.603 541 S N 1.742 117.368 115.700 -0.125 0.000 2.592 541 S HA 0.271 4.744 4.470 0.004 0.000 0.271 541 S C -1.684 172.923 174.600 0.012 0.000 1.326 541 S CA -0.674 57.120 58.200 -0.677 0.000 1.024 541 S CB 0.858 63.741 63.200 -0.529 0.000 0.921 541 S HN 0.035 nan 8.310 nan 0.000 0.527 542 P HA -0.178 nan 4.420 nan 0.000 0.214 542 P C 0.525 177.771 177.300 -0.089 0.000 1.169 542 P CA 1.443 64.302 63.100 -0.403 0.000 0.908 542 P CB -0.232 31.125 31.700 -0.572 0.000 0.791 543 Q N -2.087 117.686 119.800 -0.046 0.000 2.294 543 Q HA 0.026 4.369 4.340 0.004 0.000 0.222 543 Q C 0.214 176.176 176.000 -0.065 0.000 0.903 543 Q CA 0.865 56.632 55.803 -0.060 0.000 0.966 543 Q CB -1.204 27.484 28.738 -0.084 0.000 1.091 543 Q HN 0.437 nan 8.270 nan 0.000 0.438 544 Y N -2.576 117.755 120.300 0.052 0.000 2.528 544 Y HA 0.117 4.669 4.550 0.004 0.000 0.279 544 Y C -0.174 175.889 175.900 0.271 0.000 1.133 544 Y CA -0.936 57.224 58.100 0.099 0.000 1.047 544 Y CB 0.209 38.760 38.460 0.152 0.000 1.353 544 Y HN 0.404 nan 8.280 nan 0.000 0.551 545 W N 6.346 127.844 121.300 0.330 0.000 2.160 545 W HA 0.253 4.916 4.660 0.004 0.000 0.464 545 W C -0.688 175.941 176.519 0.182 0.000 0.914 545 W CA 0.539 58.137 57.345 0.421 0.000 1.742 545 W CB -0.515 29.296 29.460 0.585 0.000 1.780 545 W HN 0.024 nan 8.180 nan 0.000 0.307 546 K N 3.469 123.710 120.400 -0.265 0.000 2.589 546 K HA 0.212 4.534 4.320 0.004 0.000 0.265 546 K C -2.482 173.672 176.600 -0.743 0.000 0.935 546 K CA -1.462 54.456 56.287 -0.615 0.000 0.850 546 K CB 1.198 33.527 32.500 -0.284 0.000 1.372 546 K HN -0.228 nan 8.250 nan 0.000 0.420 547 P HA -0.405 nan 4.420 nan 0.000 0.222 547 P C 1.365 178.591 177.300 -0.122 0.000 1.159 547 P CA 2.685 65.533 63.100 -0.420 0.000 0.920 547 P CB -0.141 31.441 31.700 -0.197 0.000 0.793 548 S N -0.464 115.141 115.700 -0.159 0.000 2.389 548 S HA -0.278 4.194 4.470 0.004 0.000 0.229 548 S C 1.926 176.442 174.600 -0.141 0.000 1.048 548 S CA 2.729 60.872 58.200 -0.095 0.000 1.117 548 S CB -2.462 60.657 63.200 -0.135 0.000 1.020 548 S HN 0.254 nan 8.310 nan 0.000 0.430 549 T N 1.477 115.808 114.554 -0.372 0.000 2.837 549 T HA -0.160 4.192 4.350 0.004 0.000 0.266 549 T C 0.733 175.001 174.700 -0.721 0.000 1.077 549 T CA 1.719 63.431 62.100 -0.646 0.000 1.133 549 T CB -0.740 67.511 68.868 -1.030 0.000 0.830 549 T HN 0.613 nan 8.240 nan 0.000 0.512 550 F N 0.068 120.082 119.950 0.107 0.000 2.850 550 F HA 0.563 5.092 4.527 0.004 0.000 0.329 550 F C 1.454 177.398 175.800 0.239 0.000 1.182 550 F CA -0.712 57.409 58.000 0.202 0.000 1.270 550 F CB 0.189 39.332 39.000 0.238 0.000 0.979 550 F HN 0.157 nan 8.300 nan 0.000 0.506 551 G N 0.264 109.310 108.800 0.409 0.000 2.147 551 G HA2 0.110 4.072 3.960 0.004 0.000 0.244 551 G HA3 0.110 4.072 3.960 0.004 0.000 0.244 551 G C 0.699 175.764 174.900 0.275 0.000 1.005 551 G CA 0.204 45.565 45.100 0.435 0.000 0.713 551 G HN 1.309 nan 8.290 nan 0.000 0.515 552 G N -1.205 107.720 108.800 0.208 0.000 2.796 552 G HA2 0.089 4.052 3.960 0.004 0.000 0.571 552 G HA3 0.089 4.052 3.960 0.004 0.000 0.571 552 G C 0.695 175.686 174.900 0.152 0.000 1.370 552 G CA 0.560 45.734 45.100 0.123 0.000 0.856 552 G HN 0.819 nan 8.290 nan 0.000 0.538 553 E N -0.704 119.567 120.200 0.119 0.000 2.181 553 E HA -0.256 4.096 4.350 0.004 0.000 0.225 553 E C 2.815 179.507 176.600 0.152 0.000 1.073 553 E CA 1.940 58.442 56.400 0.170 0.000 0.916 553 E CB -0.878 28.880 29.700 0.097 0.000 0.793 553 E HN 0.666 nan 8.360 nan 0.000 0.472 554 V N 0.759 120.715 119.914 0.070 0.000 2.217 554 V HA -0.291 3.831 4.120 0.004 0.000 0.248 554 V C 2.385 178.517 176.094 0.063 0.000 1.050 554 V CA 2.576 64.894 62.300 0.029 0.000 1.007 554 V CB -1.229 30.571 31.823 -0.038 0.000 0.639 554 V HN 0.505 nan 8.190 nan 0.000 0.452 555 G N -1.928 106.922 108.800 0.084 0.000 2.527 555 G HA2 -0.284 3.678 3.960 0.004 0.000 0.219 555 G HA3 -0.284 3.678 3.960 0.004 0.000 0.219 555 G C 1.386 176.406 174.900 0.200 0.000 1.117 555 G CA 0.841 46.023 45.100 0.138 0.000 0.759 555 G HN 0.452 nan 8.290 nan 0.000 0.556 556 F N 1.112 121.066 119.950 0.008 0.000 2.094 556 F HA 0.185 4.714 4.527 0.004 0.000 0.291 556 F C 2.451 178.164 175.800 -0.145 0.000 1.109 556 F CA 1.176 59.098 58.000 -0.129 0.000 1.221 556 F CB -0.529 38.424 39.000 -0.078 0.000 1.014 556 F HN 0.097 nan 8.300 nan 0.000 0.473 557 K N 0.874 121.224 120.400 -0.082 0.000 2.052 557 K HA -0.262 4.061 4.320 0.004 0.000 0.215 557 K C 2.238 178.750 176.600 -0.146 0.000 1.053 557 K CA 2.521 58.706 56.287 -0.171 0.000 0.934 557 K CB -0.665 31.802 32.500 -0.055 0.000 0.717 557 K HN 0.372 nan 8.250 nan 0.000 0.450 558 I N 0.958 121.493 120.570 -0.058 0.000 2.132 558 I HA -0.427 3.746 4.170 0.004 0.000 0.238 558 I C 2.407 178.510 176.117 -0.024 0.000 1.012 558 I CA 2.037 63.327 61.300 -0.017 0.000 1.288 558 I CB -0.479 37.538 38.000 0.028 0.000 0.997 558 I HN 0.314 nan 8.210 nan 0.000 0.402 559 I N 0.775 121.306 120.570 -0.065 0.000 2.127 559 I HA -0.327 3.845 4.170 0.004 0.000 0.241 559 I C 2.000 178.108 176.117 -0.015 0.000 1.075 559 I CA 1.587 62.881 61.300 -0.009 0.000 1.334 559 I CB -0.683 37.295 38.000 -0.036 0.000 1.040 559 I HN 0.378 nan 8.210 nan 0.000 0.405 560 N N 0.529 119.116 118.700 -0.190 0.000 2.519 560 N HA -0.102 4.640 4.740 0.004 0.000 0.186 560 N C 0.864 176.335 175.510 -0.066 0.000 1.062 560 N CA 1.466 54.420 53.050 -0.160 0.000 0.910 560 N CB -0.468 37.808 38.487 -0.351 0.000 0.958 560 N HN 0.480 nan 8.380 nan 0.000 0.445 561 T N -2.406 112.121 114.554 -0.044 0.000 3.585 561 T HA 0.695 5.047 4.350 0.004 0.000 0.252 561 T C -0.488 174.221 174.700 0.014 0.000 1.382 561 T CA -0.854 61.238 62.100 -0.014 0.000 1.584 561 T CB 0.409 69.261 68.868 -0.026 0.000 0.892 561 T HN 0.135 nan 8.240 nan 0.000 0.671 562 A N 1.643 124.490 122.820 0.046 0.000 2.356 562 A HA 0.909 5.231 4.320 0.004 0.000 0.310 562 A C -0.023 177.598 177.584 0.062 0.000 1.075 562 A CA -0.782 51.294 52.037 0.066 0.000 0.746 562 A CB 1.551 20.624 19.000 0.122 0.000 1.221 562 A HN 1.216 nan 8.150 nan 0.000 0.443 563 S N 1.781 117.496 115.700 0.025 0.000 2.540 563 S HA 0.451 4.923 4.470 0.004 0.000 0.275 563 S C 0.542 175.111 174.600 -0.052 0.000 1.123 563 S CA -0.344 57.853 58.200 -0.005 0.000 0.907 563 S CB 1.031 64.210 63.200 -0.034 0.000 1.081 563 S HN 1.427 nan 8.310 nan 0.000 0.476 564 I N 1.837 122.356 120.570 -0.085 0.000 2.300 564 I HA -0.198 3.974 4.170 0.004 0.000 0.252 564 I C 2.364 178.352 176.117 -0.216 0.000 1.119 564 I CA 2.318 63.526 61.300 -0.154 0.000 1.384 564 I CB -0.459 37.265 38.000 -0.460 0.000 1.062 564 I HN 0.964 nan 8.210 nan 0.000 0.426 565 Q N 1.042 120.700 119.800 -0.238 0.000 1.921 565 Q HA -0.235 4.107 4.340 0.004 0.000 0.208 565 Q C 2.435 178.339 176.000 -0.160 0.000 0.994 565 Q CA 3.345 59.004 55.803 -0.240 0.000 0.857 565 Q CB -1.095 27.521 28.738 -0.204 0.000 0.925 565 Q HN 0.689 nan 8.270 nan 0.000 0.421 566 S N 0.854 116.490 115.700 -0.107 0.000 2.374 566 S HA -0.220 4.252 4.470 0.004 0.000 0.227 566 S C 1.926 176.469 174.600 -0.095 0.000 1.037 566 S CA 1.471 59.625 58.200 -0.076 0.000 1.024 566 S CB -1.138 62.036 63.200 -0.044 0.000 0.861 566 S HN 0.468 nan 8.310 nan 0.000 0.456 567 L N 1.438 122.590 121.223 -0.118 0.000 2.034 567 L HA -0.110 4.232 4.340 0.004 0.000 0.217 567 L C 2.075 178.832 176.870 -0.188 0.000 1.077 567 L CA 1.709 56.435 54.840 -0.189 0.000 0.769 567 L CB -0.954 40.937 42.059 -0.280 0.000 0.890 567 L HN 0.340 nan 8.230 nan 0.000 0.435 568 I N -1.600 118.873 120.570 -0.161 0.000 2.406 568 I HA -0.185 3.987 4.170 0.004 0.000 0.249 568 I C 2.670 178.724 176.117 -0.106 0.000 1.122 568 I CA 1.106 62.324 61.300 -0.136 0.000 1.431 568 I CB -0.679 37.241 38.000 -0.133 0.000 1.087 568 I HN 0.441 nan 8.210 nan 0.000 0.424 569 c N 1.012 119.553 118.600 -0.099 0.000 2.393 569 c HA -0.218 4.354 4.570 0.004 0.000 0.276 569 c C 2.865 176.922 174.090 -0.056 0.000 1.215 569 c CA 1.507 57.796 56.329 -0.067 0.000 1.743 569 c CB -1.198 41.278 42.510 -0.057 0.000 2.044 569 c HN 0.541 nan 8.230 nan 0.000 0.464 570 N N 1.014 119.680 118.700 -0.058 0.000 2.062 570 N HA -0.083 4.659 4.740 0.004 0.000 0.191 570 N C 1.344 176.822 175.510 -0.054 0.000 1.042 570 N CA 1.364 54.387 53.050 -0.045 0.000 0.845 570 N CB -0.934 37.532 38.487 -0.035 0.000 1.024 570 N HN 0.548 nan 8.380 nan 0.000 0.424 571 N N 0.643 119.299 118.700 -0.074 0.000 2.309 571 N HA -0.035 4.708 4.740 0.004 0.000 0.182 571 N C 0.100 175.554 175.510 -0.094 0.000 1.018 571 N CA 0.307 53.308 53.050 -0.083 0.000 0.876 571 N CB 0.090 38.513 38.487 -0.106 0.000 0.972 571 N HN 0.044 nan 8.380 nan 0.000 0.434 572 V N 0.756 120.618 119.914 -0.087 0.000 2.547 572 V HA 0.224 4.346 4.120 0.004 0.000 0.299 572 V C 0.567 176.627 176.094 -0.057 0.000 1.040 572 V CA -1.229 61.024 62.300 -0.079 0.000 0.913 572 V CB 2.024 33.804 31.823 -0.071 0.000 0.992 572 V HN -0.043 nan 8.190 nan 0.000 0.449 573 K N 1.918 122.288 120.400 -0.051 0.000 2.440 573 K HA 0.308 4.630 4.320 0.004 0.000 0.270 573 K C 1.329 177.920 176.600 -0.016 0.000 0.980 573 K CA 1.231 57.498 56.287 -0.033 0.000 0.953 573 K CB 0.138 32.622 32.500 -0.027 0.000 0.925 573 K HN 1.156 nan 8.250 nan 0.000 0.497 574 G N 2.193 110.987 108.800 -0.010 0.000 2.216 574 G HA2 -0.376 3.587 3.960 0.004 0.000 0.269 574 G HA3 -0.376 3.587 3.960 0.004 0.000 0.269 574 G C 0.475 175.378 174.900 0.005 0.000 0.981 574 G CA 0.219 45.320 45.100 0.001 0.000 0.658 574 G HN 0.853 nan 8.290 nan 0.000 0.539 575 c N 0.227 118.823 118.600 -0.007 0.000 4.056 575 c HA -0.107 4.465 4.570 0.004 0.000 0.302 575 c C -0.538 173.559 174.090 0.012 0.000 1.356 575 c CA -0.150 56.174 56.329 -0.008 0.000 2.074 575 c CB -1.616 40.894 42.510 -0.001 0.000 1.328 575 c HN 0.760 nan 8.230 nan 0.000 0.684 576 P HA 0.129 nan 4.420 nan 0.000 0.262 576 P C 0.178 177.504 177.300 0.043 0.000 1.199 576 P CA 0.291 63.419 63.100 0.047 0.000 0.763 576 P CB 0.283 32.003 31.700 0.035 0.000 0.790 577 F N 4.339 124.282 119.950 -0.011 0.000 2.628 577 F HA 0.132 4.661 4.527 0.004 0.000 0.362 577 F C -0.091 175.697 175.800 -0.020 0.000 1.148 577 F CA 1.322 59.311 58.000 -0.018 0.000 1.352 577 F CB 0.425 39.417 39.000 -0.013 0.000 1.081 577 F HN 0.328 nan 8.300 nan 0.000 0.605 578 T N 3.525 117.136 114.554 -1.573 0.000 2.769 578 T HA 0.548 4.900 4.350 0.004 0.000 0.306 578 T C -1.384 172.597 174.700 -1.199 0.000 1.400 578 T CA -0.747 60.708 62.100 -1.076 0.000 1.007 578 T CB 1.591 70.180 68.868 -0.465 0.000 1.392 578 T HN 0.775 nan 8.240 nan 0.000 0.500 579 S N -1.168 114.181 115.700 -0.585 0.000 2.636 579 S HA 0.539 5.011 4.470 0.004 0.000 0.266 579 S C -1.262 173.163 174.600 -0.291 0.000 1.147 579 S CA -0.651 57.303 58.200 -0.409 0.000 0.815 579 S CB 0.550 63.709 63.200 -0.069 0.000 1.119 579 S HN 0.628 nan 8.310 nan 0.000 0.470 580 F N 1.459 121.348 119.950 -0.101 0.000 2.732 580 F HA 0.363 4.893 4.527 0.004 0.000 0.303 580 F C 1.005 176.617 175.800 -0.314 0.000 1.110 580 F CA -0.179 57.721 58.000 -0.167 0.000 1.355 580 F CB 0.293 39.146 39.000 -0.245 0.000 1.081 580 F HN 0.388 nan 8.300 nan 0.000 0.565 581 N N 0.093 118.799 118.700 0.010 0.000 2.342 581 N HA 0.236 4.979 4.740 0.004 0.000 0.293 581 N C -0.872 174.714 175.510 0.127 0.000 1.026 581 N CA -0.390 52.706 53.050 0.076 0.000 0.857 581 N CB 2.044 40.624 38.487 0.154 0.000 1.256 581 N HN -0.131 nan 8.380 nan 0.000 0.484 582 V N 4.774 124.754 119.914 0.111 0.000 2.149 582 V HA 0.122 4.244 4.120 0.004 0.000 0.245 582 V C -0.555 175.595 176.094 0.094 0.000 1.349 582 V CA 0.121 62.490 62.300 0.116 0.000 1.289 582 V CB -1.298 30.580 31.823 0.093 0.000 1.401 582 V HN 0.843 nan 8.190 nan 0.000 0.501 583 Q N 0.000 119.867 119.800 0.112 0.000 2.315 583 Q HA 0.000 4.342 4.340 0.004 0.000 0.214 583 Q CA 0.000 55.833 55.803 0.050 0.000 1.022 583 Q CB 0.000 28.737 28.738 -0.001 0.000 1.108 583 Q HN 0.000 nan 8.270 nan 0.000 0.481