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 3nt1_1_B 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 0.000 177.629 177.584 0.075 0.000 1.274 33 A CA 0.000 52.075 52.037 0.063 0.000 0.836 33 A CB 0.000 19.044 19.000 0.074 0.000 0.831 34 N N 2.220 120.955 118.700 0.058 0.000 2.365 34 N HA 0.068 4.807 4.740 -0.001 0.000 0.265 34 N C -1.437 174.096 175.510 0.037 0.000 1.288 34 N CA -0.494 52.584 53.050 0.047 0.000 0.869 34 N CB 1.153 39.656 38.487 0.027 0.000 1.071 34 N HN 0.204 nan 8.380 nan 0.000 0.480 35 P HA -0.008 nan 4.420 nan 0.000 0.228 35 P C 0.628 177.908 177.300 -0.033 0.000 1.151 35 P CA 0.635 63.782 63.100 0.078 0.000 0.770 35 P CB 0.086 31.891 31.700 0.174 0.000 0.786 36 c N -1.437 117.125 118.600 -0.063 0.000 2.626 36 c HA 0.112 4.682 4.570 -0.001 0.000 0.266 36 c C 2.649 176.654 174.090 -0.143 0.000 1.317 36 c CA -0.197 56.035 56.329 -0.162 0.000 1.716 36 c CB -2.259 40.192 42.510 -0.099 0.000 1.819 36 c HN 0.339 nan 8.230 nan 0.000 0.578 37 c N 1.466 120.014 118.600 -0.088 0.000 2.419 37 c HA -0.097 4.473 4.570 -0.001 0.000 0.281 37 c C 2.865 176.906 174.090 -0.081 0.000 1.336 37 c CA 1.971 58.263 56.329 -0.063 0.000 1.770 37 c CB -1.286 41.209 42.510 -0.024 0.000 1.929 37 c HN 0.821 nan 8.230 nan 0.000 0.509 38 S N 0.406 116.037 115.700 -0.116 0.000 2.603 38 S HA -0.020 4.450 4.470 -0.001 0.000 0.220 38 S C 0.416 174.932 174.600 -0.140 0.000 0.967 38 S CA 0.367 58.501 58.200 -0.111 0.000 0.920 38 S CB -0.623 62.512 63.200 -0.108 0.000 0.773 38 S HN 0.678 nan 8.310 nan 0.000 0.529 39 N N 1.567 120.164 118.700 -0.172 0.000 2.714 39 N HA -0.090 4.650 4.740 -0.001 0.000 0.253 39 N C -1.973 173.420 175.510 -0.196 0.000 1.024 39 N CA 1.029 53.972 53.050 -0.178 0.000 0.726 39 N CB -1.516 36.884 38.487 -0.145 0.000 0.908 39 N HN 0.473 nan 8.380 nan 0.000 0.542 40 P HA -0.011 nan 4.420 nan 0.000 0.222 40 P C 0.321 177.529 177.300 -0.153 0.000 1.153 40 P CA 0.644 63.590 63.100 -0.257 0.000 0.798 40 P CB 0.175 31.544 31.700 -0.551 0.000 0.796 41 c N 2.551 121.062 118.600 -0.149 0.000 2.576 41 c HA 0.320 4.889 4.570 -0.001 0.000 0.401 41 c C 0.796 174.819 174.090 -0.112 0.000 1.314 41 c CA -0.547 55.735 56.329 -0.078 0.000 1.855 41 c CB -0.587 41.897 42.510 -0.042 0.000 2.537 41 c HN 0.266 nan 8.230 nan 0.000 0.578 42 Q N 1.741 121.463 119.800 -0.131 0.000 2.194 42 Q HA 0.328 4.667 4.340 -0.001 0.000 0.245 42 Q C 0.373 176.231 176.000 -0.237 0.000 0.993 42 Q CA -0.438 55.247 55.803 -0.197 0.000 0.930 42 Q CB 0.446 29.037 28.738 -0.245 0.000 1.238 42 Q HN 0.748 nan 8.270 nan 0.000 0.486 43 N N 1.005 119.532 118.700 -0.289 0.000 2.735 43 N HA -0.232 4.507 4.740 -0.001 0.000 0.248 43 N C -0.708 174.728 175.510 -0.123 0.000 1.083 43 N CA 1.081 53.956 53.050 -0.291 0.000 0.703 43 N CB -0.544 37.530 38.487 -0.687 0.000 1.005 43 N HN 0.691 nan 8.380 nan 0.000 0.550 44 R N -3.788 116.641 120.500 -0.117 0.000 3.951 44 R HA -0.152 4.188 4.340 -0.001 0.000 0.352 44 R C 0.895 177.173 176.300 -0.037 0.000 1.178 44 R CA 1.160 57.211 56.100 -0.082 0.000 0.949 44 R CB -2.159 28.091 30.300 -0.084 0.000 1.452 44 R HN 0.423 nan 8.270 nan 0.000 0.540 45 G N 1.287 110.066 108.800 -0.035 0.000 2.544 45 G HA2 0.193 4.152 3.960 -0.001 0.000 0.242 45 G HA3 0.193 4.152 3.960 -0.001 0.000 0.242 45 G C -0.277 174.624 174.900 0.003 0.000 1.247 45 G CA -0.315 44.786 45.100 0.002 0.000 0.840 45 G HN 0.253 nan 8.290 nan 0.000 0.578 46 E N 0.135 120.354 120.200 0.033 0.000 2.175 46 E HA 0.329 4.679 4.350 -0.001 0.000 0.278 46 E C -0.615 176.012 176.600 0.046 0.000 0.969 46 E CA -0.820 55.608 56.400 0.047 0.000 0.796 46 E CB 1.156 30.905 29.700 0.082 0.000 1.104 46 E HN 0.423 nan 8.360 nan 0.000 0.395 47 c N 6.145 124.756 118.600 0.018 0.000 2.369 47 c HA 0.575 5.145 4.570 -0.001 0.000 0.358 47 c C -0.272 173.847 174.090 0.049 0.000 1.274 47 c CA -0.422 55.922 56.329 0.025 0.000 1.935 47 c CB -0.402 42.066 42.510 -0.070 0.000 2.431 47 c HN 0.863 nan 8.230 nan 0.000 0.545 48 M N 5.732 125.382 119.600 0.084 0.000 2.326 48 M HA 0.411 4.890 4.480 -0.001 0.000 0.292 48 M C 0.039 176.387 176.300 0.079 0.000 1.081 48 M CA -0.095 55.243 55.300 0.063 0.000 0.919 48 M CB 2.047 34.677 32.600 0.049 0.000 1.634 48 M HN 0.805 nan 8.290 nan 0.000 0.451 49 S N 2.201 117.926 115.700 0.041 0.000 2.564 49 S HA 0.325 4.794 4.470 -0.001 0.000 0.278 49 S C 0.539 175.134 174.600 -0.007 0.000 1.333 49 S CA 0.220 58.441 58.200 0.035 0.000 1.048 49 S CB 0.637 63.832 63.200 -0.009 0.000 0.900 49 S HN 0.800 nan 8.310 nan 0.000 0.505 50 T N -1.264 113.283 114.554 -0.012 0.000 3.200 50 T HA 0.628 4.978 4.350 -0.001 0.000 0.284 50 T C 0.566 175.224 174.700 -0.071 0.000 1.009 50 T CA -0.028 62.046 62.100 -0.043 0.000 0.907 50 T CB -0.298 68.550 68.868 -0.032 0.000 1.120 50 T HN 1.503 nan 8.240 nan 0.000 0.534 51 G N 0.092 108.828 108.800 -0.107 0.000 2.324 51 G HA2 0.352 4.311 3.960 -0.001 0.000 0.293 51 G HA3 0.352 4.311 3.960 -0.001 0.000 0.293 51 G C -0.460 174.349 174.900 -0.151 0.000 1.297 51 G CA -0.808 44.202 45.100 -0.150 0.000 0.853 51 G HN -0.002 nan 8.290 nan 0.000 0.535 52 F N -0.005 119.956 119.950 0.018 0.000 2.234 52 F HA 0.113 4.640 4.527 -0.001 0.000 0.299 52 F C 1.865 177.684 175.800 0.032 0.000 1.087 52 F CA 1.674 59.687 58.000 0.022 0.000 1.340 52 F CB 0.399 39.409 39.000 0.016 0.000 1.031 52 F HN 0.267 nan 8.300 nan 0.000 0.500 53 D N -0.980 119.538 120.400 0.196 0.000 2.563 53 D HA 0.131 4.771 4.640 -0.001 0.000 0.237 53 D C -0.119 176.249 176.300 0.114 0.000 1.282 53 D CA 0.211 54.296 54.000 0.142 0.000 0.816 53 D CB 0.429 41.302 40.800 0.122 0.000 1.066 53 D HN 0.314 nan 8.370 nan 0.000 0.501 54 Q N 0.310 120.164 119.800 0.090 0.000 2.394 54 Q HA 0.505 4.845 4.340 -0.001 0.000 0.273 54 Q C -1.041 175.015 176.000 0.093 0.000 1.089 54 Q CA -1.074 54.754 55.803 0.041 0.000 0.812 54 Q CB 2.682 31.406 28.738 -0.023 0.000 1.353 54 Q HN 0.143 nan 8.270 nan 0.000 0.438 55 Y N -1.241 119.057 120.300 -0.002 0.000 2.634 55 Y HA 0.861 5.410 4.550 -0.001 0.000 0.340 55 Y C -1.247 174.650 175.900 -0.005 0.000 1.058 55 Y CA -1.358 56.738 58.100 -0.008 0.000 1.081 55 Y CB 1.605 40.061 38.460 -0.007 0.000 1.295 55 Y HN 0.484 nan 8.280 nan 0.000 0.487 56 K N 0.787 121.285 120.400 0.163 0.000 2.482 56 K HA 0.642 4.962 4.320 -0.001 0.000 0.251 56 K C -2.190 174.524 176.600 0.190 0.000 0.936 56 K CA -0.246 56.087 56.287 0.076 0.000 0.791 56 K CB 1.616 34.129 32.500 0.023 0.000 1.213 56 K HN 0.954 nan 8.250 nan 0.000 0.428 57 c N 2.835 121.539 118.600 0.173 0.000 2.330 57 c HA 0.432 5.002 4.570 -0.001 0.000 0.344 57 c C -0.596 173.548 174.090 0.091 0.000 1.273 57 c CA -0.647 55.766 56.329 0.140 0.000 1.879 57 c CB 0.482 43.077 42.510 0.141 0.000 2.376 57 c HN 0.793 nan 8.230 nan 0.000 0.534 58 D N 1.750 122.195 120.400 0.076 0.000 2.396 58 D HA 0.240 4.880 4.640 -0.001 0.000 0.225 58 D C 0.237 176.579 176.300 0.069 0.000 1.121 58 D CA -0.325 53.714 54.000 0.066 0.000 0.853 58 D CB 0.682 41.516 40.800 0.056 0.000 1.043 58 D HN 0.643 nan 8.370 nan 0.000 0.500 59 c N 2.864 121.515 118.600 0.085 0.000 2.625 59 c HA 0.155 4.725 4.570 -0.001 0.000 0.285 59 c C 0.844 174.997 174.090 0.105 0.000 1.279 59 c CA -0.380 56.013 56.329 0.108 0.000 1.698 59 c CB -1.613 40.989 42.510 0.154 0.000 1.821 59 c HN 0.534 nan 8.230 nan 0.000 0.600 60 T N 2.095 116.694 114.554 0.076 0.000 2.800 60 T HA -0.002 4.348 4.350 -0.001 0.000 0.283 60 T C 0.957 175.697 174.700 0.066 0.000 0.999 60 T CA 0.708 62.845 62.100 0.062 0.000 1.176 60 T CB -0.078 68.814 68.868 0.040 0.000 0.973 60 T HN 0.635 nan 8.240 nan 0.000 0.519 61 R N 0.171 120.715 120.500 0.072 0.000 3.863 61 R HA -0.222 4.117 4.340 -0.001 0.000 0.313 61 R C 1.608 177.971 176.300 0.106 0.000 1.202 61 R CA 1.167 57.313 56.100 0.078 0.000 0.852 61 R CB -2.494 27.843 30.300 0.061 0.000 1.292 61 R HN 0.921 nan 8.270 nan 0.000 0.519 62 T N -4.401 110.235 114.554 0.137 0.000 3.067 62 T HA 0.212 4.561 4.350 -0.001 0.000 0.257 62 T C 1.542 176.402 174.700 0.266 0.000 1.105 62 T CA 0.926 63.150 62.100 0.206 0.000 1.104 62 T CB 0.708 69.717 68.868 0.236 0.000 0.925 62 T HN 0.678 nan 8.240 nan 0.000 0.498 63 G N 0.640 109.523 108.800 0.138 0.000 2.176 63 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.253 63 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.253 63 G C -0.109 174.635 174.900 -0.260 0.000 0.979 63 G CA 0.105 45.169 45.100 -0.061 0.000 0.641 63 G HN 0.567 nan 8.290 nan 0.000 0.530 64 F N -0.568 119.431 119.950 0.080 0.000 2.611 64 F HA 0.815 5.341 4.527 -0.001 0.000 0.324 64 F C 0.334 176.222 175.800 0.146 0.000 1.061 64 F CA -0.923 57.108 58.000 0.051 0.000 0.954 64 F CB 1.437 40.422 39.000 -0.023 0.000 1.301 64 F HN 0.263 nan 8.300 nan 0.000 0.482 65 Y N -1.110 119.322 120.300 0.221 0.000 2.889 65 Y HA 0.921 5.471 4.550 -0.001 0.000 0.317 65 Y C -0.013 175.957 175.900 0.118 0.000 1.414 65 Y CA -1.596 56.583 58.100 0.132 0.000 1.091 65 Y CB 0.981 39.489 38.460 0.080 0.000 1.358 65 Y HN 1.067 nan 8.280 nan 0.000 0.487 66 G N 0.231 109.192 108.800 0.269 0.000 2.661 66 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.685 66 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.685 66 G C 0.241 175.197 174.900 0.094 0.000 1.298 66 G CA 0.011 45.188 45.100 0.128 0.000 0.855 66 G HN 1.175 nan 8.290 nan 0.000 0.560 67 E N -0.329 119.909 120.200 0.064 0.000 2.097 67 E HA -0.180 4.170 4.350 -0.001 0.000 0.196 67 E C 1.479 178.136 176.600 0.096 0.000 1.000 67 E CA 1.670 58.102 56.400 0.053 0.000 0.804 67 E CB -0.086 29.628 29.700 0.024 0.000 0.740 67 E HN 0.414 nan 8.360 nan 0.000 0.454 68 N N -0.827 117.917 118.700 0.074 0.000 2.235 68 N HA 0.087 4.827 4.740 -0.001 0.000 0.231 68 N C -0.617 174.890 175.510 -0.005 0.000 1.177 68 N CA 0.409 53.497 53.050 0.063 0.000 0.874 68 N CB 0.591 39.103 38.487 0.042 0.000 1.097 68 N HN 0.140 nan 8.380 nan 0.000 0.518 69 c N 0.819 119.430 118.600 0.018 0.000 4.350 69 c HA -0.118 4.452 4.570 -0.001 0.000 0.302 69 c C 1.747 175.767 174.090 -0.117 0.000 1.390 69 c CA 1.158 57.496 56.329 0.014 0.000 2.016 69 c CB -3.105 39.411 42.510 0.010 0.000 1.271 69 c HN 0.605 nan 8.230 nan 0.000 0.760 70 T N -4.948 109.552 114.554 -0.090 0.000 3.010 70 T HA 0.181 4.530 4.350 -0.001 0.000 0.257 70 T C 0.285 175.012 174.700 0.044 0.000 1.020 70 T CA 0.556 62.577 62.100 -0.132 0.000 0.938 70 T CB 0.199 68.997 68.868 -0.116 0.000 1.049 70 T HN 0.543 nan 8.240 nan 0.000 0.522 71 T N 5.857 120.377 114.554 -0.057 0.000 2.729 71 T HA 0.417 4.767 4.350 -0.001 0.000 0.296 71 T C -2.710 171.853 174.700 -0.228 0.000 0.928 71 T CA -1.191 60.751 62.100 -0.264 0.000 1.045 71 T CB 1.215 69.645 68.868 -0.730 0.000 0.902 71 T HN 0.223 nan 8.240 nan 0.000 0.500 72 P HA 0.276 nan 4.420 nan 0.000 0.284 72 P C -0.107 177.103 177.300 -0.150 0.000 1.253 72 P CA -0.560 62.350 63.100 -0.317 0.000 0.800 72 P CB 1.009 32.552 31.700 -0.262 0.000 0.961 73 E N 1.101 121.224 120.200 -0.128 0.000 2.425 73 E HA -0.017 4.333 4.350 -0.001 0.000 0.258 73 E C 0.717 177.338 176.600 0.035 0.000 1.151 73 E CA -0.200 56.246 56.400 0.077 0.000 0.958 73 E CB 0.143 29.868 29.700 0.042 0.000 0.968 73 E HN 0.391 nan 8.360 nan 0.000 0.451 74 F N 1.532 121.474 119.950 -0.013 0.000 2.095 74 F HA -0.202 4.324 4.527 -0.001 0.000 0.298 74 F C 1.841 177.612 175.800 -0.048 0.000 1.104 74 F CA 1.316 59.301 58.000 -0.024 0.000 1.232 74 F CB -0.081 38.914 39.000 -0.009 0.000 0.987 74 F HN 0.390 nan 8.300 nan 0.000 0.475 75 L N -0.109 121.124 121.223 0.017 0.000 2.201 75 L HA -0.149 4.191 4.340 -0.001 0.000 0.212 75 L C 2.265 179.034 176.870 -0.169 0.000 1.105 75 L CA 1.979 56.768 54.840 -0.084 0.000 0.775 75 L CB -0.960 41.108 42.059 0.015 0.000 0.913 75 L HN 0.158 nan 8.230 nan 0.000 0.440 76 T N -1.079 113.358 114.554 -0.194 0.000 2.777 76 T HA -0.153 4.197 4.350 -0.001 0.000 0.266 76 T C 2.022 176.569 174.700 -0.256 0.000 1.040 76 T CA 1.157 63.095 62.100 -0.271 0.000 1.141 76 T CB -0.147 68.415 68.868 -0.509 0.000 0.868 76 T HN 0.313 nan 8.240 nan 0.000 0.444 77 R N 0.389 120.724 120.500 -0.275 0.000 2.091 77 R HA 0.004 4.344 4.340 -0.001 0.000 0.238 77 R C 2.435 178.583 176.300 -0.254 0.000 1.136 77 R CA 1.219 57.171 56.100 -0.246 0.000 0.959 77 R CB -0.533 29.604 30.300 -0.272 0.000 0.856 77 R HN 0.419 nan 8.270 nan 0.000 0.437 78 I N 0.851 121.215 120.570 -0.342 0.000 2.226 78 I HA -0.290 3.880 4.170 -0.001 0.000 0.245 78 I C 2.116 178.139 176.117 -0.156 0.000 1.100 78 I CA 1.477 62.617 61.300 -0.268 0.000 1.374 78 I CB -0.231 37.597 38.000 -0.286 0.000 1.057 78 I HN 0.114 nan 8.210 nan 0.000 0.413 79 K N 0.802 121.120 120.400 -0.137 0.000 2.057 79 K HA -0.121 4.198 4.320 -0.001 0.000 0.207 79 K C 2.055 178.620 176.600 -0.057 0.000 1.049 79 K CA 1.269 57.506 56.287 -0.083 0.000 0.931 79 K CB -0.176 32.279 32.500 -0.074 0.000 0.714 79 K HN 0.272 nan 8.250 nan 0.000 0.440 80 L N 0.806 121.992 121.223 -0.062 0.000 2.201 80 L HA -0.117 4.223 4.340 -0.001 0.000 0.212 80 L C 2.344 179.194 176.870 -0.033 0.000 1.105 80 L CA 0.564 55.389 54.840 -0.025 0.000 0.775 80 L CB -0.281 41.776 42.059 -0.003 0.000 0.913 80 L HN 0.227 nan 8.230 nan 0.000 0.440 81 L N -0.526 120.662 121.223 -0.060 0.000 2.027 81 L HA -0.222 4.117 4.340 -0.001 0.000 0.206 81 L C 2.261 179.105 176.870 -0.044 0.000 1.074 81 L CA 1.303 56.110 54.840 -0.055 0.000 0.745 81 L CB 0.072 42.085 42.059 -0.077 0.000 0.898 81 L HN 0.186 nan 8.230 nan 0.000 0.433 82 L N -0.244 120.950 121.223 -0.048 0.000 2.270 82 L HA 0.013 4.352 4.340 -0.001 0.000 0.210 82 L C 1.181 178.035 176.870 -0.027 0.000 1.104 82 L CA 0.933 55.748 54.840 -0.041 0.000 0.804 82 L CB -0.715 41.314 42.059 -0.049 0.000 0.937 82 L HN 0.100 nan 8.230 nan 0.000 0.450 83 K N 2.469 122.860 120.400 -0.016 0.000 2.412 83 K HA 0.106 4.426 4.320 -0.001 0.000 0.284 83 K C -2.086 174.520 176.600 0.011 0.000 1.046 83 K CA -1.291 54.999 56.287 0.005 0.000 0.999 83 K CB 0.467 32.979 32.500 0.019 0.000 0.941 83 K HN -0.028 nan 8.250 nan 0.000 0.474 84 P HA 0.046 nan 4.420 nan 0.000 0.276 84 P C -0.587 176.737 177.300 0.040 0.000 1.244 84 P CA -0.495 62.619 63.100 0.024 0.000 0.801 84 P CB 0.852 32.570 31.700 0.029 0.000 1.006 85 T N -1.396 113.180 114.554 0.037 0.000 2.860 85 T HA 0.173 4.523 4.350 -0.001 0.000 0.299 85 T C -1.759 172.983 174.700 0.070 0.000 1.045 85 T CA -1.267 60.858 62.100 0.043 0.000 1.071 85 T CB -0.168 68.718 68.868 0.029 0.000 0.985 85 T HN 0.164 nan 8.240 nan 0.000 0.537 86 P HA -0.081 nan 4.420 nan 0.000 0.216 86 P C 1.359 178.741 177.300 0.136 0.000 1.150 86 P CA 0.906 64.067 63.100 0.101 0.000 0.837 86 P CB -0.036 31.710 31.700 0.076 0.000 0.786 87 N N -1.476 117.288 118.700 0.106 0.000 2.166 87 N HA -0.087 4.652 4.740 -0.001 0.000 0.186 87 N C 1.652 177.280 175.510 0.196 0.000 1.019 87 N CA 1.412 54.544 53.050 0.136 0.000 0.856 87 N CB -1.196 37.340 38.487 0.082 0.000 0.993 87 N HN 0.146 nan 8.380 nan 0.000 0.426 88 T N 0.600 115.236 114.554 0.136 0.000 2.737 88 T HA -0.021 4.328 4.350 -0.001 0.000 0.265 88 T C 2.129 176.949 174.700 0.200 0.000 1.038 88 T CA 0.792 62.972 62.100 0.133 0.000 1.144 88 T CB -0.236 68.669 68.868 0.063 0.000 0.866 88 T HN -0.035 nan 8.240 nan 0.000 0.434 89 V N 1.367 121.381 119.914 0.166 0.000 2.358 89 V HA -0.196 3.924 4.120 -0.001 0.000 0.246 89 V C 2.398 178.577 176.094 0.142 0.000 1.047 89 V CA 1.667 64.053 62.300 0.144 0.000 1.035 89 V CB -0.750 31.139 31.823 0.109 0.000 0.658 89 V HN 0.624 nan 8.190 nan 0.000 0.452 90 H N -0.854 118.278 119.070 0.103 0.000 2.352 90 H HA -0.268 4.287 4.556 -0.001 0.000 0.299 90 H C 2.315 177.746 175.328 0.171 0.000 1.097 90 H CA 2.570 58.684 56.048 0.109 0.000 1.311 90 H CB -0.232 29.625 29.762 0.157 0.000 1.377 90 H HN 0.541 nan 8.280 nan 0.000 0.504 91 Y N 1.049 121.476 120.300 0.211 0.000 2.128 91 Y HA -0.215 4.335 4.550 -0.001 0.000 0.284 91 Y C 2.735 178.787 175.900 0.252 0.000 1.154 91 Y CA 2.015 60.241 58.100 0.210 0.000 1.149 91 Y CB -0.469 38.054 38.460 0.106 0.000 0.976 91 Y HN 0.122 nan 8.280 nan 0.000 0.505 92 I N -0.187 120.664 120.570 0.468 0.000 2.226 92 I HA -0.328 3.841 4.170 -0.001 0.000 0.245 92 I C 2.113 178.561 176.117 0.552 0.000 1.100 92 I CA 1.312 62.961 61.300 0.582 0.000 1.374 92 I CB -0.366 37.899 38.000 0.443 0.000 1.057 92 I HN 0.268 nan 8.210 nan 0.000 0.413 93 L N 0.112 121.414 121.223 0.132 0.000 2.376 93 L HA -0.106 4.233 4.340 -0.001 0.000 0.219 93 L C 2.033 178.699 176.870 -0.340 0.000 1.133 93 L CA 1.362 56.032 54.840 -0.284 0.000 0.816 93 L CB -0.526 40.982 42.059 -0.919 0.000 0.933 93 L HN 0.408 nan 8.230 nan 0.000 0.449 94 T N -5.356 109.048 114.554 -0.250 0.000 3.129 94 T HA 0.228 4.578 4.350 -0.001 0.000 0.267 94 T C 0.244 174.706 174.700 -0.396 0.000 1.018 94 T CA -0.352 61.464 62.100 -0.473 0.000 0.903 94 T CB -0.053 68.492 68.868 -0.537 0.000 1.067 94 T HN 0.159 nan 8.240 nan 0.000 0.549 95 H N -0.618 118.411 119.070 -0.069 0.000 2.906 95 H HA 0.605 5.161 4.556 -0.001 0.000 0.337 95 H C -0.575 174.814 175.328 0.101 0.000 1.257 95 H CA -1.671 54.214 56.048 -0.273 0.000 1.192 95 H CB 0.642 29.755 29.762 -1.083 0.000 1.912 95 H HN 0.064 nan 8.280 nan 0.000 0.573 96 F N -0.713 119.410 119.950 0.288 0.000 3.074 96 F HA -0.280 4.247 4.527 -0.001 0.000 0.287 96 F C 1.595 177.505 175.800 0.184 0.000 0.932 96 F CA 0.619 58.719 58.000 0.168 0.000 0.995 96 F CB -1.032 38.012 39.000 0.074 0.000 0.966 96 F HN 0.512 nan 8.300 nan 0.000 0.721 97 K N 1.177 121.636 120.400 0.098 0.000 2.103 97 K HA -0.125 4.195 4.320 -0.001 0.000 0.207 97 K C 2.278 178.912 176.600 0.058 0.000 1.048 97 K CA 1.668 57.874 56.287 -0.134 0.000 0.930 97 K CB -0.521 31.629 32.500 -0.583 0.000 0.716 97 K HN 0.546 nan 8.250 nan 0.000 0.444 98 G N 0.270 109.101 108.800 0.052 0.000 2.418 98 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.217 98 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.217 98 G C 1.442 176.379 174.900 0.061 0.000 1.158 98 G CA 0.939 46.071 45.100 0.053 0.000 0.771 98 G HN 0.209 nan 8.290 nan 0.000 0.545 99 V N -0.514 119.427 119.914 0.045 0.000 2.358 99 V HA -0.137 3.983 4.120 -0.001 0.000 0.246 99 V C 2.409 178.463 176.094 -0.067 0.000 1.047 99 V CA 1.571 63.827 62.300 -0.074 0.000 1.035 99 V CB -0.663 31.029 31.823 -0.218 0.000 0.658 99 V HN 0.587 nan 8.190 nan 0.000 0.452 100 W N 0.616 121.989 121.300 0.122 0.000 2.402 100 W HA -0.105 4.555 4.660 -0.001 0.000 0.286 100 W C 2.372 178.967 176.519 0.126 0.000 1.221 100 W CA 1.282 58.724 57.345 0.160 0.000 1.257 100 W CB -0.605 28.993 29.460 0.230 0.000 1.120 100 W HN 0.277 nan 8.180 nan 0.000 0.551 101 N N 0.503 119.370 118.700 0.278 0.000 2.149 101 N HA -0.194 4.545 4.740 -0.001 0.000 0.188 101 N C 1.576 177.169 175.510 0.139 0.000 1.019 101 N CA 1.540 54.694 53.050 0.172 0.000 0.857 101 N CB -0.383 38.165 38.487 0.102 0.000 0.997 101 N HN 0.120 nan 8.380 nan 0.000 0.426 102 I N 0.436 121.071 120.570 0.109 0.000 2.163 102 I HA -0.214 3.956 4.170 -0.001 0.000 0.240 102 I C 2.118 178.300 176.117 0.109 0.000 1.081 102 I CA 0.847 62.194 61.300 0.078 0.000 1.353 102 I CB -0.283 37.736 38.000 0.031 0.000 1.054 102 I HN -0.023 nan 8.210 nan 0.000 0.407 103 V N 0.977 120.972 119.914 0.136 0.000 2.332 103 V HA -0.255 3.865 4.120 -0.001 0.000 0.248 103 V C 1.314 177.572 176.094 0.274 0.000 1.055 103 V CA 1.555 63.972 62.300 0.194 0.000 1.038 103 V CB -0.892 31.063 31.823 0.221 0.000 0.651 103 V HN 0.459 nan 8.190 nan 0.000 0.450 104 N N 0.702 119.579 118.700 0.296 0.000 2.648 104 N HA 0.044 4.784 4.740 -0.001 0.000 0.210 104 N C 0.228 175.820 175.510 0.136 0.000 1.464 104 N CA 0.215 53.392 53.050 0.212 0.000 0.890 104 N CB -1.098 37.486 38.487 0.161 0.000 1.179 104 N HN 0.491 nan 8.380 nan 0.000 0.476 105 I N 0.246 120.893 120.570 0.129 0.000 2.816 105 I HA -0.285 3.885 4.170 -0.001 0.000 0.126 105 I C -1.143 175.078 176.117 0.172 0.000 0.891 105 I CA -0.535 60.851 61.300 0.144 0.000 2.783 105 I CB -0.143 37.949 38.000 0.153 0.000 0.633 105 I HN 0.061 nan 8.210 nan 0.000 0.351 106 P HA -0.230 nan 4.420 nan 0.000 0.216 106 P C 1.517 178.921 177.300 0.172 0.000 1.153 106 P CA 1.420 64.607 63.100 0.145 0.000 0.858 106 P CB 0.076 31.851 31.700 0.124 0.000 0.789 107 F N 0.117 120.108 119.950 0.070 0.000 2.095 107 F HA -0.200 4.327 4.527 -0.001 0.000 0.298 107 F C 1.895 177.742 175.800 0.079 0.000 1.104 107 F CA 1.366 59.405 58.000 0.064 0.000 1.232 107 F CB -0.897 38.131 39.000 0.047 0.000 0.987 107 F HN -0.210 nan 8.300 nan 0.000 0.475 108 L N 0.863 122.126 121.223 0.067 0.000 2.131 108 L HA -0.017 4.322 4.340 -0.001 0.000 0.206 108 L C 2.596 179.497 176.870 0.051 0.000 1.087 108 L CA 1.576 56.400 54.840 -0.027 0.000 0.767 108 L CB -1.114 41.031 42.059 0.143 0.000 0.917 108 L HN 0.182 nan 8.230 nan 0.000 0.441 109 R N -1.195 119.417 120.500 0.188 0.000 2.081 109 R HA -0.142 4.198 4.340 -0.001 0.000 0.235 109 R C 2.208 178.659 176.300 0.252 0.000 1.131 109 R CA 1.686 57.999 56.100 0.356 0.000 0.960 109 R CB -0.106 30.345 30.300 0.252 0.000 0.856 109 R HN 0.361 nan 8.270 nan 0.000 0.436 110 S N 1.141 116.888 115.700 0.079 0.000 2.356 110 S HA -0.162 4.307 4.470 -0.001 0.000 0.223 110 S C 1.756 176.330 174.600 -0.043 0.000 1.032 110 S CA 1.257 59.464 58.200 0.012 0.000 1.005 110 S CB -0.363 62.818 63.200 -0.032 0.000 0.867 110 S HN 0.302 nan 8.310 nan 0.000 0.449 111 L N 1.943 123.053 121.223 -0.189 0.000 2.012 111 L HA -0.066 4.274 4.340 -0.001 0.000 0.210 111 L C 1.928 178.757 176.870 -0.068 0.000 1.073 111 L CA 1.707 56.419 54.840 -0.213 0.000 0.748 111 L CB -0.606 41.200 42.059 -0.422 0.000 0.891 111 L HN 0.305 nan 8.230 nan 0.000 0.431 112 I N -1.384 119.156 120.570 -0.051 0.000 2.202 112 I HA -0.292 3.877 4.170 -0.001 0.000 0.242 112 I C 2.454 178.590 176.117 0.031 0.000 1.091 112 I CA 1.531 62.774 61.300 -0.094 0.000 1.368 112 I CB -0.288 37.470 38.000 -0.403 0.000 1.058 112 I HN 0.376 nan 8.210 nan 0.000 0.410 113 M N 1.041 120.770 119.600 0.214 0.000 2.159 113 M HA -0.222 4.257 4.480 -0.001 0.000 0.263 113 M C 2.182 178.555 176.300 0.123 0.000 1.063 113 M CA 1.819 57.284 55.300 0.274 0.000 1.110 113 M CB -0.453 32.325 32.600 0.296 0.000 1.374 113 M HN -0.026 nan 8.290 nan 0.000 0.411 114 K N -1.391 119.051 120.400 0.069 0.000 2.032 114 K HA -0.257 4.062 4.320 -0.001 0.000 0.209 114 K C 2.155 178.783 176.600 0.046 0.000 1.048 114 K CA 1.973 58.274 56.287 0.024 0.000 0.927 114 K CB -0.562 31.941 32.500 0.004 0.000 0.712 114 K HN 0.483 nan 8.250 nan 0.000 0.441 115 Y N 1.095 121.377 120.300 -0.029 0.000 2.242 115 Y HA -0.193 4.357 4.550 -0.001 0.000 0.291 115 Y C 1.831 177.733 175.900 0.002 0.000 1.137 115 Y CA 1.157 59.242 58.100 -0.025 0.000 1.181 115 Y CB -0.163 38.267 38.460 -0.050 0.000 0.989 115 Y HN -0.155 nan 8.280 nan 0.000 0.527 116 V N 0.594 120.506 119.914 -0.003 0.000 2.287 116 V HA -0.355 3.765 4.120 -0.001 0.000 0.248 116 V C 2.455 178.513 176.094 -0.060 0.000 1.053 116 V CA 2.209 64.492 62.300 -0.027 0.000 1.027 116 V CB -0.829 31.069 31.823 0.125 0.000 0.646 116 V HN 0.449 nan 8.190 nan 0.000 0.447 117 L N 0.327 121.536 121.223 -0.023 0.000 2.017 117 L HA -0.170 4.170 4.340 -0.001 0.000 0.208 117 L C 2.843 179.697 176.870 -0.026 0.000 1.073 117 L CA 2.190 57.018 54.840 -0.021 0.000 0.745 117 L CB -1.185 40.834 42.059 -0.067 0.000 0.894 117 L HN 0.598 nan 8.230 nan 0.000 0.432 118 T N -3.185 111.325 114.554 -0.072 0.000 2.812 118 T HA -0.152 4.198 4.350 -0.001 0.000 0.264 118 T C 2.086 176.737 174.700 -0.082 0.000 1.042 118 T CA 1.222 63.304 62.100 -0.030 0.000 1.140 118 T CB -0.600 68.249 68.868 -0.033 0.000 0.870 118 T HN 0.428 nan 8.240 nan 0.000 0.445 119 S N 1.906 117.421 115.700 -0.308 0.000 2.382 119 S HA -0.074 4.396 4.470 -0.001 0.000 0.228 119 S C 2.274 176.815 174.600 -0.097 0.000 1.027 119 S CA 0.266 58.269 58.200 -0.328 0.000 0.991 119 S CB -0.438 62.292 63.200 -0.784 0.000 0.823 119 S HN 0.300 nan 8.310 nan 0.000 0.469 120 R N 1.646 122.105 120.500 -0.069 0.000 2.066 120 R HA 0.181 4.520 4.340 -0.001 0.000 0.232 120 R C 2.702 179.027 176.300 0.042 0.000 1.131 120 R CA 1.452 57.557 56.100 0.009 0.000 0.955 120 R CB -1.602 28.713 30.300 0.026 0.000 0.851 120 R HN 0.514 nan 8.270 nan 0.000 0.432 121 S N 0.677 116.427 115.700 0.083 0.000 2.419 121 S HA -0.146 4.323 4.470 -0.001 0.000 0.233 121 S C 1.631 176.269 174.600 0.063 0.000 1.016 121 S CA 0.730 58.997 58.200 0.111 0.000 0.974 121 S CB -0.361 63.019 63.200 0.299 0.000 0.786 121 S HN 0.345 nan 8.310 nan 0.000 0.492 122 Y N 1.846 122.125 120.300 -0.036 0.000 2.403 122 Y HA -0.017 4.533 4.550 -0.001 0.000 0.291 122 Y C 1.642 177.485 175.900 -0.094 0.000 1.143 122 Y CA 0.799 58.863 58.100 -0.060 0.000 1.257 122 Y CB -0.145 38.284 38.460 -0.051 0.000 0.984 122 Y HN 0.147 nan 8.280 nan 0.000 0.550 123 L N 0.428 121.599 121.223 -0.087 0.000 2.478 123 L HA -0.026 4.313 4.340 -0.001 0.000 0.223 123 L C 0.060 176.748 176.870 -0.303 0.000 1.140 123 L CA 0.716 55.423 54.840 -0.222 0.000 0.842 123 L CB -0.713 41.279 42.059 -0.111 0.000 0.953 123 L HN 0.112 nan 8.230 nan 0.000 0.452 124 I N 0.366 120.803 120.570 -0.222 0.000 2.354 124 I HA 0.190 4.359 4.170 -0.001 0.000 0.292 124 I C -0.087 175.912 176.117 -0.196 0.000 0.989 124 I CA -0.987 60.212 61.300 -0.168 0.000 1.188 124 I CB 1.310 39.254 38.000 -0.093 0.000 1.342 124 I HN -0.112 nan 8.210 nan 0.000 0.457 125 D N 4.427 124.725 120.400 -0.169 0.000 2.371 125 D HA 0.169 4.808 4.640 -0.001 0.000 0.256 125 D C 0.111 176.318 176.300 -0.155 0.000 1.193 125 D CA 0.486 54.376 54.000 -0.183 0.000 0.881 125 D CB 1.112 41.807 40.800 -0.176 0.000 1.143 125 D HN 0.391 nan 8.370 nan 0.000 0.473 126 S N 2.467 118.063 115.700 -0.172 0.000 2.706 126 S HA 0.398 4.867 4.470 -0.001 0.000 0.270 126 S C -2.723 171.791 174.600 -0.145 0.000 1.163 126 S CA -1.250 56.855 58.200 -0.158 0.000 1.042 126 S CB 0.884 63.961 63.200 -0.206 0.000 1.079 126 S HN 0.024 nan 8.310 nan 0.000 0.474 127 P HA 0.259 nan 4.420 nan 0.000 0.268 127 P C -2.508 174.747 177.300 -0.074 0.000 1.208 127 P CA -0.772 62.301 63.100 -0.045 0.000 0.777 127 P CB -0.111 31.580 31.700 -0.016 0.000 0.875 128 P HA 0.084 nan 4.420 nan 0.000 0.276 128 P C -0.042 177.169 177.300 -0.149 0.000 1.261 128 P CA -0.089 62.945 63.100 -0.110 0.000 0.800 128 P CB 0.877 32.499 31.700 -0.130 0.000 1.066 129 T N -2.242 112.160 114.554 -0.253 0.000 3.257 129 T HA 0.221 4.571 4.350 -0.001 0.000 0.176 129 T C 0.632 175.096 174.700 -0.395 0.000 0.892 129 T CA 0.030 61.858 62.100 -0.453 0.000 1.147 129 T CB -0.848 67.512 68.868 -0.846 0.000 1.840 129 T HN 0.270 nan 8.240 nan 0.000 0.375 130 Y N 3.542 123.794 120.300 -0.080 0.000 2.295 130 Y HA 0.577 5.126 4.550 -0.001 0.000 0.331 130 Y C 0.880 176.712 175.900 -0.113 0.000 1.311 130 Y CA -0.556 57.489 58.100 -0.092 0.000 1.430 130 Y CB 0.566 38.989 38.460 -0.061 0.000 1.339 130 Y HN 0.749 nan 8.280 nan 0.000 0.552 131 N N -2.568 116.162 118.700 0.049 0.000 3.316 131 N HA 0.110 4.850 4.740 -0.001 0.000 0.300 131 N C -0.308 175.170 175.510 -0.053 0.000 1.567 131 N CA -0.744 52.266 53.050 -0.066 0.000 0.821 131 N CB 0.518 38.813 38.487 -0.320 0.000 1.748 131 N HN 0.407 nan 8.380 nan 0.000 0.603 132 V N -0.212 119.654 119.914 -0.080 0.000 2.568 132 V HA -0.201 3.919 4.120 -0.001 0.000 0.253 132 V C 1.130 177.203 176.094 -0.036 0.000 1.072 132 V CA 2.007 64.269 62.300 -0.065 0.000 1.084 132 V CB -0.937 30.807 31.823 -0.132 0.000 0.676 132 V HN 0.708 nan 8.190 nan 0.000 0.469 133 H N -3.164 115.859 119.070 -0.079 0.000 2.622 133 H HA 0.232 4.787 4.556 -0.001 0.000 0.269 133 H C -0.522 174.399 175.328 -0.679 0.000 0.977 133 H CA -0.079 55.805 56.048 -0.274 0.000 1.179 133 H CB 0.462 30.108 29.762 -0.192 0.000 1.458 133 H HN 0.467 nan 8.280 nan 0.000 0.531 134 Y N -0.159 120.058 120.300 -0.139 0.000 2.349 134 Y HA 0.290 4.840 4.550 -0.001 0.000 0.324 134 Y C 0.867 176.624 175.900 -0.238 0.000 1.005 134 Y CA -0.811 57.081 58.100 -0.346 0.000 1.240 134 Y CB 1.838 40.033 38.460 -0.442 0.000 1.117 134 Y HN 0.076 nan 8.280 nan 0.000 0.463 135 G N 2.303 111.005 108.800 -0.162 0.000 3.141 135 G HA2 0.077 4.037 3.960 -0.001 0.000 0.218 135 G HA3 0.077 4.037 3.960 -0.001 0.000 0.218 135 G C -0.311 174.553 174.900 -0.060 0.000 1.170 135 G CA 0.235 45.224 45.100 -0.187 0.000 0.769 135 G HN 0.571 nan 8.290 nan 0.000 0.546 136 Y N -2.174 118.264 120.300 0.231 0.000 2.576 136 Y HA 0.731 5.281 4.550 -0.001 0.000 0.346 136 Y C -0.068 176.052 175.900 0.367 0.000 1.018 136 Y CA -2.199 56.095 58.100 0.324 0.000 1.050 136 Y CB 1.138 39.710 38.460 0.186 0.000 1.280 136 Y HN -0.258 nan 8.280 nan 0.000 0.474 137 K N 1.856 122.485 120.400 0.381 0.000 2.401 137 K HA 0.490 4.810 4.320 -0.001 0.000 0.278 137 K C -0.483 176.206 176.600 0.148 0.000 1.018 137 K CA 0.158 56.503 56.287 0.098 0.000 0.981 137 K CB 0.651 33.151 32.500 0.001 0.000 0.933 137 K HN 0.904 nan 8.250 nan 0.000 0.477 138 S N 1.189 116.866 115.700 -0.038 0.000 2.570 138 S HA 0.186 4.655 4.470 -0.001 0.000 0.270 138 S C 0.101 174.674 174.600 -0.046 0.000 1.149 138 S CA -1.111 57.074 58.200 -0.025 0.000 0.837 138 S CB 0.588 63.641 63.200 -0.245 0.000 1.124 138 S HN 0.887 nan 8.310 nan 0.000 0.465 139 W N 1.281 122.540 121.300 -0.069 0.000 2.374 139 W HA -0.100 4.559 4.660 -0.001 0.000 0.288 139 W C 1.617 178.113 176.519 -0.039 0.000 1.218 139 W CA 2.285 59.633 57.345 0.004 0.000 1.245 139 W CB -0.120 29.353 29.460 0.022 0.000 1.126 139 W HN 1.051 nan 8.180 nan 0.000 0.545 140 E N 0.819 120.952 120.200 -0.111 0.000 2.051 140 E HA -0.177 4.173 4.350 -0.001 0.000 0.192 140 E C 2.208 178.562 176.600 -0.409 0.000 0.991 140 E CA 2.463 58.724 56.400 -0.231 0.000 0.799 140 E CB -0.724 28.807 29.700 -0.282 0.000 0.748 140 E HN 0.083 nan 8.360 nan 0.000 0.449 141 A N -0.207 122.240 122.820 -0.621 0.000 1.930 141 A HA -0.093 4.227 4.320 -0.001 0.000 0.217 141 A C 2.188 179.536 177.584 -0.394 0.000 1.175 141 A CA 1.358 53.077 52.037 -0.530 0.000 0.627 141 A CB -0.917 17.804 19.000 -0.466 0.000 0.815 141 A HN 0.475 nan 8.150 nan 0.000 0.443 142 F N 2.051 121.686 119.950 -0.524 0.000 2.113 142 F HA -0.170 4.357 4.527 -0.001 0.000 0.297 142 F C 2.623 178.078 175.800 -0.575 0.000 1.103 142 F CA 2.165 59.817 58.000 -0.580 0.000 1.248 142 F CB -0.421 38.107 39.000 -0.788 0.000 0.999 142 F HN 0.283 nan 8.300 nan 0.000 0.475 143 S N -0.699 114.457 115.700 -0.906 0.000 2.446 143 S HA -0.026 4.444 4.470 -0.001 0.000 0.225 143 S C 0.993 175.341 174.600 -0.421 0.000 1.016 143 S CA 0.154 57.870 58.200 -0.807 0.000 0.943 143 S CB -0.766 62.139 63.200 -0.491 0.000 0.786 143 S HN 0.389 nan 8.310 nan 0.000 0.508 144 N N 2.022 120.575 118.700 -0.245 0.000 2.415 144 N HA 0.216 4.955 4.740 -0.001 0.000 0.250 144 N C 0.519 176.034 175.510 0.008 0.000 1.127 144 N CA -0.124 52.921 53.050 -0.008 0.000 0.945 144 N CB 0.374 39.001 38.487 0.234 0.000 1.196 144 N HN 0.395 nan 8.380 nan 0.000 0.499 145 L N 1.646 122.845 121.223 -0.040 0.000 2.465 145 L HA -0.038 4.301 4.340 -0.001 0.000 0.224 145 L C 1.760 178.716 176.870 0.144 0.000 1.145 145 L CA 0.379 55.225 54.840 0.011 0.000 0.834 145 L CB -0.112 41.949 42.059 0.002 0.000 0.944 145 L HN 0.396 nan 8.230 nan 0.000 0.451 146 S N -1.521 114.229 115.700 0.083 0.000 2.515 146 S HA -0.015 4.454 4.470 -0.001 0.000 0.231 146 S C 0.328 174.901 174.600 -0.045 0.000 0.987 146 S CA 0.399 58.615 58.200 0.026 0.000 0.936 146 S CB -0.205 63.018 63.200 0.039 0.000 0.766 146 S HN 0.237 nan 8.310 nan 0.000 0.528 147 Y N 0.413 120.660 120.300 -0.088 0.000 2.310 147 Y HA 0.349 4.899 4.550 -0.001 0.000 0.326 147 Y C 0.164 175.969 175.900 -0.158 0.000 1.151 147 Y CA -1.169 56.751 58.100 -0.301 0.000 1.195 147 Y CB 0.349 38.634 38.460 -0.292 0.000 1.210 147 Y HN 0.043 nan 8.280 nan 0.000 0.483 148 Y N 0.937 121.278 120.300 0.069 0.000 2.480 148 Y HA 0.062 4.611 4.550 -0.000 0.000 0.338 148 Y C 1.055 176.988 175.900 0.055 0.000 1.220 148 Y CA 0.055 58.216 58.100 0.102 0.000 1.430 148 Y CB 0.459 38.942 38.460 0.039 0.000 1.311 148 Y HN 0.540 nan 8.280 nan 0.000 0.575 149 T N 3.233 117.915 114.554 0.213 0.000 2.788 149 T HA 0.423 4.773 4.350 -0.001 0.000 0.280 149 T C -0.338 174.424 174.700 0.103 0.000 0.984 149 T CA -0.721 61.429 62.100 0.082 0.000 0.972 149 T CB 0.329 69.205 68.868 0.013 0.000 1.039 149 T HN 0.427 nan 8.240 nan 0.000 0.530 150 R N 1.229 121.789 120.500 0.099 0.000 2.502 150 R HA 0.524 4.863 4.340 -0.001 0.000 0.300 150 R C 0.746 177.166 176.300 0.200 0.000 0.984 150 R CA -0.428 55.749 56.100 0.128 0.000 0.882 150 R CB 1.303 31.672 30.300 0.115 0.000 1.180 150 R HN 0.733 nan 8.270 nan 0.000 0.444 151 A N 3.908 126.892 122.820 0.272 0.000 1.972 151 A HA 0.029 4.348 4.320 -0.001 0.000 0.219 151 A C 0.733 178.447 177.584 0.217 0.000 1.169 151 A CA 1.122 53.362 52.037 0.337 0.000 0.635 151 A CB 0.124 19.522 19.000 0.662 0.000 0.810 151 A HN 0.495 nan 8.150 nan 0.000 0.446 152 L N 0.184 121.510 121.223 0.172 0.000 2.381 152 L HA 0.379 4.719 4.340 -0.001 0.000 0.268 152 L C -2.483 174.342 176.870 -0.075 0.000 0.997 152 L CA -2.596 52.209 54.840 -0.059 0.000 0.818 152 L CB 2.568 44.368 42.059 -0.431 0.000 1.310 152 L HN 0.012 nan 8.230 nan 0.000 0.416 153 P HA 0.153 nan 4.420 nan 0.000 0.272 153 P C -2.699 174.487 177.300 -0.190 0.000 1.230 153 P CA -1.282 61.592 63.100 -0.377 0.000 0.788 153 P CB -0.247 30.940 31.700 -0.855 0.000 0.949 154 P HA 0.015 nan 4.420 nan 0.000 0.272 154 P C -0.201 177.075 177.300 -0.041 0.000 1.230 154 P CA 0.015 63.102 63.100 -0.021 0.000 0.788 154 P CB 0.334 32.046 31.700 0.020 0.000 0.949 155 V N 1.913 121.831 119.914 0.007 0.000 2.529 155 V HA 0.139 4.259 4.120 -0.001 0.000 0.292 155 V C 1.245 177.344 176.094 0.010 0.000 1.028 155 V CA -0.031 62.270 62.300 0.001 0.000 1.074 155 V CB -0.166 31.675 31.823 0.031 0.000 0.958 155 V HN 0.748 nan 8.190 nan 0.000 0.481 156 A N 4.039 126.858 122.820 -0.002 0.000 2.507 156 A HA 0.104 4.424 4.320 -0.001 0.000 0.235 156 A C 1.200 178.799 177.584 0.026 0.000 1.070 156 A CA -0.200 51.845 52.037 0.013 0.000 0.768 156 A CB -0.017 18.992 19.000 0.015 0.000 1.011 156 A HN 0.895 nan 8.150 nan 0.000 0.502 157 D N 0.447 120.866 120.400 0.032 0.000 2.178 157 D HA -0.135 4.505 4.640 -0.001 0.000 0.201 157 D C 1.074 177.394 176.300 0.033 0.000 0.980 157 D CA 1.837 55.858 54.000 0.035 0.000 0.842 157 D CB -0.062 40.757 40.800 0.033 0.000 0.948 157 D HN 0.772 nan 8.370 nan 0.000 0.472 158 D N -0.279 120.141 120.400 0.034 0.000 2.328 158 D HA -0.046 4.594 4.640 -0.001 0.000 0.221 158 D C 0.136 176.455 176.300 0.032 0.000 1.072 158 D CA -0.295 53.726 54.000 0.035 0.000 0.850 158 D CB -0.847 39.978 40.800 0.043 0.000 0.922 158 D HN 0.013 nan 8.370 nan 0.000 0.516 159 c N 2.456 121.072 118.600 0.027 0.000 2.662 159 c HA 0.134 4.704 4.570 -0.001 0.000 0.420 159 c C -0.322 173.783 174.090 0.025 0.000 1.314 159 c CA -0.952 55.391 56.329 0.022 0.000 1.963 159 c CB 1.080 43.599 42.510 0.016 0.000 2.686 159 c HN 0.303 nan 8.230 nan 0.000 0.609 160 P HA -0.023 nan 4.420 nan 0.000 0.221 160 P C 0.442 177.758 177.300 0.026 0.000 1.150 160 P CA 1.380 64.494 63.100 0.024 0.000 0.800 160 P CB -0.052 31.662 31.700 0.022 0.000 0.787 161 T N -5.751 108.820 114.554 0.028 0.000 2.916 161 T HA 0.469 4.819 4.350 -0.001 0.000 0.292 161 T C -2.385 172.340 174.700 0.042 0.000 1.055 161 T CA -2.230 59.892 62.100 0.035 0.000 1.009 161 T CB 2.034 70.925 68.868 0.039 0.000 1.118 161 T HN -0.341 nan 8.240 nan 0.000 0.497 162 P HA -0.037 nan 4.420 nan 0.000 0.216 162 P C 1.368 178.712 177.300 0.073 0.000 1.150 162 P CA 1.141 64.279 63.100 0.063 0.000 0.843 162 P CB 0.002 31.745 31.700 0.072 0.000 0.787 163 M N -2.612 117.033 119.600 0.075 0.000 2.561 163 M HA 0.270 4.750 4.480 -0.001 0.000 0.238 163 M C 1.379 177.699 176.300 0.035 0.000 1.131 163 M CA 0.735 56.077 55.300 0.071 0.000 1.046 163 M CB -0.700 31.951 32.600 0.087 0.000 1.532 163 M HN 0.108 nan 8.290 nan 0.000 0.497 164 G N 0.211 109.026 108.800 0.026 0.000 1.801 164 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.203 164 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.203 164 G C 0.337 175.241 174.900 0.007 0.000 2.274 164 G CA 0.329 45.431 45.100 0.004 0.000 1.481 164 G HN 0.359 nan 8.290 nan 0.000 0.471 165 V N -1.228 118.689 119.914 0.005 0.000 3.497 165 V HA 0.541 4.661 4.120 -0.001 0.000 0.272 165 V C 0.724 176.830 176.094 0.021 0.000 1.474 165 V CA 1.132 63.439 62.300 0.011 0.000 1.025 165 V CB 0.215 32.039 31.823 0.002 0.000 0.820 165 V HN 0.397 nan 8.190 nan 0.000 0.437 166 K N 1.581 121.996 120.400 0.025 0.000 2.126 166 K HA 0.610 4.930 4.320 -0.001 0.000 0.257 166 K C 0.690 177.324 176.600 0.057 0.000 1.007 166 K CA 0.714 57.024 56.287 0.039 0.000 0.928 166 K CB 0.858 33.380 32.500 0.038 0.000 1.013 166 K HN 0.767 nan 8.250 nan 0.000 0.473 167 G N 1.208 110.048 108.800 0.067 0.000 2.725 167 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.220 167 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.220 167 G C -0.784 174.151 174.900 0.058 0.000 1.357 167 G CA -0.653 44.496 45.100 0.082 0.000 0.866 167 G HN 0.746 nan 8.290 nan 0.000 0.548 168 N N 0.104 118.835 118.700 0.052 0.000 2.379 168 N HA 0.380 5.120 4.740 -0.001 0.000 0.260 168 N C 1.354 176.882 175.510 0.029 0.000 1.254 168 N CA -0.526 52.543 53.050 0.031 0.000 0.958 168 N CB 0.482 38.978 38.487 0.015 0.000 1.208 168 N HN 0.470 nan 8.380 nan 0.000 0.532 169 K N 0.716 121.128 120.400 0.020 0.000 2.211 169 K HA -0.010 4.309 4.320 -0.001 0.000 0.203 169 K C -0.262 176.348 176.600 0.017 0.000 1.050 169 K CA 1.326 57.624 56.287 0.019 0.000 0.945 169 K CB -0.152 32.356 32.500 0.014 0.000 0.732 169 K HN 0.627 nan 8.250 nan 0.000 0.451 170 E N 0.462 120.667 120.200 0.008 0.000 2.238 170 E HA 0.325 4.674 4.350 -0.001 0.000 0.267 170 E C -0.522 176.073 176.600 -0.009 0.000 0.887 170 E CA -0.603 55.798 56.400 0.002 0.000 0.769 170 E CB 2.087 31.782 29.700 -0.009 0.000 1.187 170 E HN -0.099 nan 8.360 nan 0.000 0.416 171 L N 3.113 124.333 121.223 -0.005 0.000 2.476 171 L HA 0.214 4.554 4.340 -0.001 0.000 0.264 171 L C -1.746 175.054 176.870 -0.116 0.000 1.224 171 L CA -1.540 53.279 54.840 -0.036 0.000 0.821 171 L CB -0.067 42.007 42.059 0.025 0.000 1.101 171 L HN 0.349 nan 8.230 nan 0.000 0.488 172 P HA -0.040 nan 4.420 nan 0.000 0.269 172 P C -0.877 176.328 177.300 -0.159 0.000 1.215 172 P CA -0.357 62.584 63.100 -0.266 0.000 0.780 172 P CB 0.354 31.752 31.700 -0.504 0.000 0.898 173 D N 1.030 121.364 120.400 -0.110 0.000 2.581 173 D HA -0.069 4.571 4.640 -0.001 0.000 0.238 173 D C 1.260 177.529 176.300 -0.051 0.000 1.145 173 D CA 0.487 54.449 54.000 -0.064 0.000 0.866 173 D CB 0.615 41.384 40.800 -0.051 0.000 1.151 173 D HN 0.280 nan 8.370 nan 0.000 0.500 174 S N 3.798 119.485 115.700 -0.023 0.000 2.423 174 S HA -0.199 4.271 4.470 -0.001 0.000 0.231 174 S C 1.750 176.358 174.600 0.013 0.000 1.014 174 S CA 0.903 59.107 58.200 0.007 0.000 0.965 174 S CB -0.048 63.163 63.200 0.019 0.000 0.785 174 S HN 0.622 nan 8.310 nan 0.000 0.495 175 K N 1.222 121.622 120.400 0.000 0.000 2.057 175 K HA -0.127 4.193 4.320 -0.001 0.000 0.207 175 K C 2.040 178.639 176.600 -0.001 0.000 1.049 175 K CA 1.479 57.767 56.287 0.002 0.000 0.931 175 K CB -0.112 32.385 32.500 -0.005 0.000 0.714 175 K HN 0.296 nan 8.250 nan 0.000 0.440 176 E N 0.441 120.632 120.200 -0.015 0.000 2.072 176 E HA -0.140 4.209 4.350 -0.001 0.000 0.191 176 E C 2.159 178.755 176.600 -0.007 0.000 0.985 176 E CA 1.097 57.484 56.400 -0.021 0.000 0.801 176 E CB -0.218 29.454 29.700 -0.046 0.000 0.750 176 E HN 0.157 nan 8.360 nan 0.000 0.452 177 V N 1.844 121.761 119.914 0.004 0.000 2.255 177 V HA -0.263 3.857 4.120 -0.001 0.000 0.247 177 V C 2.572 178.699 176.094 0.054 0.000 1.051 177 V CA 1.685 64.016 62.300 0.052 0.000 1.018 177 V CB -0.657 31.232 31.823 0.109 0.000 0.641 177 V HN 0.164 nan 8.190 nan 0.000 0.445 178 L N 0.358 121.612 121.223 0.051 0.000 1.971 178 L HA -0.237 4.103 4.340 -0.001 0.000 0.215 178 L C 2.462 179.350 176.870 0.031 0.000 1.072 178 L CA 2.219 57.090 54.840 0.051 0.000 0.758 178 L CB -0.714 41.374 42.059 0.049 0.000 0.889 178 L HN 0.377 nan 8.230 nan 0.000 0.433 179 E N -0.729 119.483 120.200 0.019 0.000 2.072 179 E HA -0.229 4.120 4.350 -0.001 0.000 0.191 179 E C 2.171 178.775 176.600 0.006 0.000 0.985 179 E CA 1.440 57.846 56.400 0.010 0.000 0.801 179 E CB -0.075 29.627 29.700 0.003 0.000 0.750 179 E HN 0.523 nan 8.360 nan 0.000 0.452 180 K N 0.207 120.610 120.400 0.005 0.000 2.031 180 K HA -0.080 4.240 4.320 -0.001 0.000 0.205 180 K C 2.097 178.697 176.600 0.000 0.000 1.049 180 K CA 1.589 57.875 56.287 -0.002 0.000 0.939 180 K CB 0.249 32.745 32.500 -0.008 0.000 0.717 180 K HN 0.131 nan 8.250 nan 0.000 0.438 181 V N -2.651 117.268 119.914 0.009 0.000 3.502 181 V HA 0.189 4.309 4.120 -0.001 0.000 0.288 181 V C 1.203 177.298 176.094 0.002 0.000 1.461 181 V CA 0.025 62.327 62.300 0.003 0.000 1.029 181 V CB -0.057 31.770 31.823 0.008 0.000 0.843 181 V HN 0.090 nan 8.190 nan 0.000 0.438 182 L N -0.151 121.080 121.223 0.014 0.000 2.467 182 L HA 0.417 4.756 4.340 -0.001 0.000 0.213 182 L C 0.914 177.800 176.870 0.028 0.000 1.053 182 L CA 0.138 54.989 54.840 0.018 0.000 0.847 182 L CB 0.158 42.241 42.059 0.039 0.000 1.075 182 L HN 0.177 nan 8.230 nan 0.000 0.479 183 L N 1.689 122.928 121.223 0.026 0.000 2.453 183 L HA 0.086 4.425 4.340 -0.001 0.000 0.272 183 L C 0.769 177.653 176.870 0.023 0.000 1.182 183 L CA 0.049 54.905 54.840 0.026 0.000 0.858 183 L CB 0.351 42.420 42.059 0.017 0.000 1.120 183 L HN 0.207 nan 8.230 nan 0.000 0.474 184 R N 2.298 122.818 120.500 0.033 0.000 2.449 184 R HA 0.040 4.379 4.340 -0.001 0.000 0.296 184 R C 0.415 176.735 176.300 0.033 0.000 1.047 184 R CA -0.205 55.919 56.100 0.040 0.000 1.018 184 R CB 0.653 30.999 30.300 0.076 0.000 0.962 184 R HN 0.560 nan 8.270 nan 0.000 0.428 185 R N 2.333 122.848 120.500 0.025 0.000 1.991 185 R HA 0.108 4.448 4.340 -0.001 0.000 0.205 185 R C 0.144 176.468 176.300 0.040 0.000 1.356 185 R CA 0.799 56.913 56.100 0.024 0.000 1.066 185 R CB -0.269 30.037 30.300 0.011 0.000 0.854 185 R HN 0.668 nan 8.270 nan 0.000 0.487 186 E N 0.393 120.615 120.200 0.037 0.000 2.266 186 E HA 0.115 4.465 4.350 -0.001 0.000 0.277 186 E C -1.026 175.628 176.600 0.090 0.000 1.018 186 E CA -0.626 55.813 56.400 0.065 0.000 0.840 186 E CB 0.649 30.373 29.700 0.041 0.000 1.082 186 E HN 0.113 nan 8.360 nan 0.000 0.395 187 F N 4.809 124.751 119.950 -0.013 0.000 2.602 187 F HA 0.097 4.624 4.527 -0.001 0.000 0.385 187 F C -0.425 175.362 175.800 -0.022 0.000 1.063 187 F CA 0.167 58.157 58.000 -0.017 0.000 1.233 187 F CB 0.294 39.279 39.000 -0.024 0.000 1.067 187 F HN 0.345 nan 8.300 nan 0.000 0.564 188 I N 9.316 129.471 120.570 -0.693 0.000 2.330 188 I HA 0.257 4.427 4.170 -0.001 0.000 0.286 188 I C -2.065 173.459 176.117 -0.987 0.000 1.025 188 I CA -2.179 58.755 61.300 -0.611 0.000 1.197 188 I CB 0.977 38.779 38.000 -0.329 0.000 1.358 188 I HN 0.432 nan 8.210 nan 0.000 0.467 189 P HA 0.044 nan 4.420 nan 0.000 0.274 189 P C -0.781 176.333 177.300 -0.311 0.000 1.231 189 P CA -0.284 62.490 63.100 -0.544 0.000 0.790 189 P CB 0.868 32.481 31.700 -0.145 0.000 0.951 190 D N 2.929 123.204 120.400 -0.208 0.000 2.358 190 D HA 0.048 4.687 4.640 -0.001 0.000 0.258 190 D C -1.168 175.034 176.300 -0.162 0.000 1.223 190 D CA -2.005 51.875 54.000 -0.199 0.000 0.886 190 D CB 0.361 41.047 40.800 -0.191 0.000 1.120 190 D HN 0.171 nan 8.370 nan 0.000 0.482 191 P HA -0.147 nan 4.420 nan 0.000 0.223 191 P C 0.857 178.072 177.300 -0.140 0.000 1.151 191 P CA 0.928 63.946 63.100 -0.137 0.000 0.787 191 P CB 0.293 31.913 31.700 -0.134 0.000 0.788 192 Q N -0.893 118.788 119.800 -0.199 0.000 2.472 192 Q HA 0.129 4.468 4.340 -0.001 0.000 0.208 192 Q C 1.183 177.128 176.000 -0.091 0.000 0.958 192 Q CA 0.642 56.314 55.803 -0.217 0.000 0.932 192 Q CB -0.422 28.070 28.738 -0.409 0.000 1.007 192 Q HN 0.293 nan 8.270 nan 0.000 0.508 193 G N 0.736 109.497 108.800 -0.065 0.000 2.136 193 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.242 193 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.242 193 G C 0.024 174.932 174.900 0.013 0.000 0.989 193 G CA 0.226 45.326 45.100 0.001 0.000 0.682 193 G HN 0.294 nan 8.290 nan 0.000 0.522 194 S N 0.953 116.640 115.700 -0.021 0.000 2.558 194 S HA 0.359 4.829 4.470 -0.001 0.000 0.291 194 S C 0.822 175.426 174.600 0.007 0.000 1.306 194 S CA 0.706 58.838 58.200 -0.114 0.000 1.056 194 S CB 0.669 63.687 63.200 -0.303 0.000 0.836 194 S HN 1.040 nan 8.310 nan 0.000 0.504 195 N N 1.372 120.124 118.700 0.087 0.000 2.906 195 N HA 0.387 5.127 4.740 -0.001 0.000 0.327 195 N C 0.475 176.115 175.510 0.218 0.000 1.344 195 N CA -0.921 52.221 53.050 0.154 0.000 0.823 195 N CB -0.033 38.547 38.487 0.156 0.000 1.351 195 N HN 0.278 nan 8.380 nan 0.000 0.604 196 M N -0.377 119.315 119.600 0.152 0.000 2.419 196 M HA 0.123 4.603 4.480 -0.001 0.000 0.264 196 M C 1.403 177.834 176.300 0.218 0.000 1.082 196 M CA 0.852 56.155 55.300 0.005 0.000 1.119 196 M CB -0.983 31.468 32.600 -0.249 0.000 1.398 196 M HN 0.507 nan 8.290 nan 0.000 0.453 197 M N -0.880 118.984 119.600 0.441 0.000 2.108 197 M HA -0.188 4.292 4.480 -0.001 0.000 0.261 197 M C 2.257 179.056 176.300 0.832 0.000 1.066 197 M CA 1.587 57.290 55.300 0.673 0.000 1.107 197 M CB -1.469 31.443 32.600 0.519 0.000 1.356 197 M HN 0.209 nan 8.290 nan 0.000 0.406 198 F N 1.068 121.343 119.950 0.541 0.000 2.113 198 F HA -0.076 4.451 4.527 -0.001 0.000 0.297 198 F C 2.361 178.346 175.800 0.308 0.000 1.103 198 F CA 1.638 59.822 58.000 0.307 0.000 1.248 198 F CB -0.361 38.711 39.000 0.120 0.000 0.999 198 F HN 0.108 nan 8.300 nan 0.000 0.475 199 A N 0.095 123.087 122.820 0.286 0.000 1.883 199 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 199 A C 2.018 179.572 177.584 -0.050 0.000 1.186 199 A CA 1.878 53.947 52.037 0.054 0.000 0.624 199 A CB -1.496 17.438 19.000 -0.111 0.000 0.822 199 A HN 0.430 nan 8.150 nan 0.000 0.444 200 F N -1.824 118.249 119.950 0.205 0.000 2.325 200 F HA 0.050 4.576 4.527 -0.001 0.000 0.299 200 F C 1.885 177.764 175.800 0.132 0.000 1.090 200 F CA 0.446 58.573 58.000 0.212 0.000 1.392 200 F CB -0.710 38.483 39.000 0.322 0.000 1.053 200 F HN 0.338 nan 8.300 nan 0.000 0.521 201 F N 0.756 120.770 119.950 0.106 0.000 2.102 201 F HA -0.133 4.394 4.527 -0.001 0.000 0.298 201 F C 2.385 177.983 175.800 -0.336 0.000 1.105 201 F CA 1.343 59.098 58.000 -0.408 0.000 1.239 201 F CB -0.547 38.281 39.000 -0.287 0.000 0.991 201 F HN -0.077 nan 8.300 nan 0.000 0.474 202 A N -0.119 122.649 122.820 -0.087 0.000 1.892 202 A HA -0.313 4.007 4.320 -0.001 0.000 0.218 202 A C 2.232 179.671 177.584 -0.243 0.000 1.188 202 A CA 2.066 54.045 52.037 -0.098 0.000 0.631 202 A CB -1.157 17.918 19.000 0.124 0.000 0.822 202 A HN 0.606 nan 8.150 nan 0.000 0.447 203 Q N -1.552 118.131 119.800 -0.196 0.000 2.046 203 Q HA -0.236 4.103 4.340 -0.001 0.000 0.200 203 Q C 2.188 177.880 176.000 -0.514 0.000 0.975 203 Q CA 1.625 57.207 55.803 -0.368 0.000 0.836 203 Q CB -0.324 28.267 28.738 -0.246 0.000 0.896 203 Q HN 0.894 nan 8.270 nan 0.000 0.428 204 H N -0.469 118.312 119.070 -0.481 0.000 2.293 204 H HA -0.168 4.387 4.556 -0.001 0.000 0.300 204 H C 1.993 177.100 175.328 -0.368 0.000 1.082 204 H CA 1.787 57.540 56.048 -0.491 0.000 1.308 204 H CB -0.366 29.127 29.762 -0.449 0.000 1.375 204 H HN 0.341 nan 8.280 nan 0.000 0.495 205 F N 2.171 121.687 119.950 -0.722 0.000 2.069 205 F HA -0.232 4.295 4.527 -0.001 0.000 0.298 205 F C 2.815 177.985 175.800 -1.049 0.000 1.113 205 F CA 2.679 60.155 58.000 -0.874 0.000 1.214 205 F CB -0.985 37.399 39.000 -1.027 0.000 0.978 205 F HN 0.267 nan 8.300 nan 0.000 0.474 206 T N -2.798 111.006 114.554 -1.250 0.000 2.962 206 T HA -0.192 4.158 4.350 -0.001 0.000 0.270 206 T C 1.502 175.266 174.700 -1.560 0.000 1.088 206 T CA 1.613 62.581 62.100 -1.887 0.000 1.127 206 T CB -0.920 67.148 68.868 -1.334 0.000 0.883 206 T HN 0.400 nan 8.240 nan 0.000 0.493 207 H N 1.769 120.253 119.070 -0.976 0.000 2.556 207 H HA 0.132 4.687 4.556 -0.001 0.000 0.268 207 H C 2.392 177.331 175.328 -0.649 0.000 0.996 207 H CA 0.837 56.548 56.048 -0.562 0.000 1.157 207 H CB -0.287 29.428 29.762 -0.078 0.000 1.355 207 H HN 0.763 nan 8.280 nan 0.000 0.597 208 Q N -0.083 119.131 119.800 -0.976 0.000 2.331 208 Q HA -0.069 4.271 4.340 -0.001 0.000 0.203 208 Q C 0.727 176.347 176.000 -0.633 0.000 0.944 208 Q CA 1.100 56.392 55.803 -0.852 0.000 0.892 208 Q CB -0.096 27.945 28.738 -1.161 0.000 0.983 208 Q HN 0.544 nan 8.270 nan 0.000 0.482 209 F N -2.514 117.014 119.950 -0.703 0.000 2.746 209 F HA 0.468 4.995 4.527 -0.001 0.000 0.313 209 F C -0.277 175.239 175.800 -0.474 0.000 1.095 209 F CA -1.305 56.333 58.000 -0.604 0.000 1.224 209 F CB 0.282 38.912 39.000 -0.617 0.000 1.060 209 F HN -0.217 nan 8.300 nan 0.000 0.584 210 F N 3.607 123.350 119.950 -0.345 0.000 2.313 210 F HA 0.528 5.054 4.527 -0.001 0.000 0.369 210 F C 0.027 175.628 175.800 -0.333 0.000 1.109 210 F CA -1.581 56.258 58.000 -0.268 0.000 1.132 210 F CB 0.744 39.453 39.000 -0.484 0.000 1.291 210 F HN -0.051 nan 8.300 nan 0.000 0.496 211 K N 2.198 122.601 120.400 0.005 0.000 2.895 211 K HA 0.207 4.527 4.320 -0.001 0.000 0.191 211 K C -0.493 176.040 176.600 -0.112 0.000 1.117 211 K CA -0.306 55.910 56.287 -0.119 0.000 0.988 211 K CB 1.268 33.658 32.500 -0.183 0.000 1.181 211 K HN 0.361 nan 8.250 nan 0.000 0.598 212 T N 1.363 115.853 114.554 -0.107 0.000 2.888 212 T HA -0.024 4.326 4.350 -0.001 0.000 0.301 212 T C 0.101 174.538 174.700 -0.438 0.000 1.001 212 T CA 0.258 62.235 62.100 -0.206 0.000 1.147 212 T CB 0.465 69.186 68.868 -0.244 0.000 0.931 212 T HN 0.249 nan 8.240 nan 0.000 0.541 213 D N 1.751 121.982 120.400 -0.283 0.000 2.483 213 D HA 0.043 4.682 4.640 -0.001 0.000 0.220 213 D C 1.189 177.377 176.300 -0.187 0.000 1.173 213 D CA -0.274 53.597 54.000 -0.215 0.000 0.964 213 D CB 0.087 40.797 40.800 -0.150 0.000 1.046 213 D HN 0.540 nan 8.370 nan 0.000 0.517 214 H N 2.281 121.343 119.070 -0.013 0.000 2.456 214 H HA -0.067 4.489 4.556 -0.001 0.000 0.296 214 H C 1.480 176.787 175.328 -0.035 0.000 1.079 214 H CA 0.830 56.874 56.048 -0.006 0.000 1.322 214 H CB 0.503 30.264 29.762 -0.003 0.000 1.388 214 H HN 0.441 nan 8.280 nan 0.000 0.538 215 K N 0.664 121.080 120.400 0.025 0.000 2.063 215 K HA -0.128 4.192 4.320 -0.001 0.000 0.208 215 K C 2.327 178.862 176.600 -0.108 0.000 1.048 215 K CA 1.219 57.482 56.287 -0.041 0.000 0.928 215 K CB 0.063 32.519 32.500 -0.073 0.000 0.713 215 K HN 0.241 nan 8.250 nan 0.000 0.442 216 R N -0.363 120.015 120.500 -0.203 0.000 2.128 216 R HA 0.102 4.442 4.340 -0.001 0.000 0.211 216 R C 0.701 176.868 176.300 -0.223 0.000 1.067 216 R CA 0.656 56.501 56.100 -0.425 0.000 1.010 216 R CB 0.627 30.351 30.300 -0.961 0.000 0.922 216 R HN 0.287 nan 8.270 nan 0.000 0.457 217 G N -0.504 108.302 108.800 0.010 0.000 2.347 217 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.321 217 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.321 217 G C -2.571 172.472 174.900 0.239 0.000 1.412 217 G CA -0.923 44.289 45.100 0.187 0.000 0.990 217 G HN -0.212 nan 8.290 nan 0.000 0.637 218 P HA 0.020 nan 4.420 nan 0.000 0.222 218 P C 1.614 179.023 177.300 0.182 0.000 1.147 218 P CA 1.673 64.855 63.100 0.137 0.000 0.790 218 P CB 0.025 31.764 31.700 0.066 0.000 0.780 219 G N -1.867 107.024 108.800 0.151 0.000 3.026 219 G HA2 0.108 4.068 3.960 -0.001 0.000 0.208 219 G HA3 0.108 4.068 3.960 -0.001 0.000 0.208 219 G C -0.059 174.726 174.900 -0.191 0.000 1.169 219 G CA -0.089 45.034 45.100 0.038 0.000 0.788 219 G HN 0.156 nan 8.290 nan 0.000 0.533 220 F N -0.679 119.247 119.950 -0.040 0.000 2.522 220 F HA 0.616 5.143 4.527 -0.001 0.000 0.324 220 F C 0.311 175.806 175.800 -0.509 0.000 1.077 220 F CA -0.785 57.028 58.000 -0.311 0.000 0.944 220 F CB 2.582 41.396 39.000 -0.310 0.000 1.175 220 F HN -0.176 nan 8.300 nan 0.000 0.468 221 T N 1.048 115.289 114.554 -0.522 0.000 2.908 221 T HA 0.436 4.786 4.350 -0.001 0.000 0.290 221 T C 0.580 175.074 174.700 -0.343 0.000 1.034 221 T CA -0.564 61.149 62.100 -0.645 0.000 1.010 221 T CB 1.257 69.456 68.868 -1.115 0.000 1.068 221 T HN 0.714 nan 8.240 nan 0.000 0.481 222 R N 1.682 122.014 120.500 -0.280 0.000 2.312 222 R HA 0.259 4.599 4.340 -0.001 0.000 0.205 222 R C 1.298 177.465 176.300 -0.222 0.000 0.904 222 R CA 0.002 55.976 56.100 -0.210 0.000 1.052 222 R CB 0.458 30.657 30.300 -0.168 0.000 1.014 222 R HN 0.586 nan 8.270 nan 0.000 0.503 223 G N 0.964 109.589 108.800 -0.293 0.000 3.161 223 G HA2 0.175 4.135 3.960 -0.001 0.000 0.293 223 G HA3 0.175 4.135 3.960 -0.001 0.000 0.293 223 G C 0.616 175.290 174.900 -0.376 0.000 0.893 223 G CA -0.394 44.532 45.100 -0.291 0.000 1.756 223 G HN 0.152 nan 8.290 nan 0.000 0.549 224 L N 1.662 122.754 121.223 -0.220 0.000 2.465 224 L HA 0.052 4.392 4.340 -0.001 0.000 0.224 224 L C 2.639 179.520 176.870 0.019 0.000 1.145 224 L CA 0.746 55.525 54.840 -0.101 0.000 0.834 224 L CB 0.114 42.146 42.059 -0.044 0.000 0.944 224 L HN 0.529 nan 8.230 nan 0.000 0.451 225 G N -2.228 106.546 108.800 -0.044 0.000 2.572 225 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.216 225 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.216 225 G C 0.621 175.564 174.900 0.072 0.000 1.133 225 G CA -0.122 44.987 45.100 0.014 0.000 0.791 225 G HN 0.560 nan 8.290 nan 0.000 0.538 226 H N -0.441 118.595 119.070 -0.058 0.000 2.713 226 H HA -0.166 4.390 4.556 -0.001 0.000 0.311 226 H C 1.140 176.411 175.328 -0.095 0.000 1.175 226 H CA 1.106 57.119 56.048 -0.059 0.000 1.143 226 H CB -1.363 28.360 29.762 -0.064 0.000 1.434 226 H HN 0.794 nan 8.280 nan 0.000 0.418 227 G N -1.677 107.104 108.800 -0.032 0.000 2.399 227 G HA2 0.220 4.180 3.960 -0.001 0.000 0.256 227 G HA3 0.220 4.180 3.960 -0.001 0.000 0.256 227 G C -0.798 174.106 174.900 0.008 0.000 1.236 227 G CA -0.252 44.790 45.100 -0.097 0.000 0.914 227 G HN 0.151 nan 8.290 nan 0.000 0.482 228 V N 2.475 122.406 119.914 0.028 0.000 2.153 228 V HA 0.266 4.386 4.120 -0.001 0.000 0.250 228 V C 0.447 176.577 176.094 0.060 0.000 1.334 228 V CA 0.845 63.186 62.300 0.069 0.000 1.249 228 V CB 0.149 32.074 31.823 0.170 0.000 1.371 228 V HN 0.749 nan 8.190 nan 0.000 0.498 229 D N 2.553 122.969 120.400 0.027 0.000 2.398 229 D HA 0.068 4.707 4.640 -0.001 0.000 0.210 229 D C 0.855 177.227 176.300 0.121 0.000 1.094 229 D CA -0.493 53.544 54.000 0.062 0.000 0.839 229 D CB 0.261 41.084 40.800 0.038 0.000 0.963 229 D HN 0.209 nan 8.370 nan 0.000 0.506 230 L N 0.776 122.062 121.223 0.105 0.000 3.865 230 L HA -0.306 4.034 4.340 -0.001 0.000 0.408 230 L C 0.990 178.024 176.870 0.273 0.000 1.209 230 L CA 0.855 55.837 54.840 0.238 0.000 0.940 230 L CB -2.966 39.249 42.059 0.261 0.000 1.971 230 L HN 0.395 nan 8.230 nan 0.000 0.899 231 N N -0.854 117.930 118.700 0.139 0.000 2.364 231 N HA -0.197 4.543 4.740 -0.001 0.000 0.183 231 N C 1.690 177.203 175.510 0.006 0.000 1.022 231 N CA 1.677 54.771 53.050 0.072 0.000 0.883 231 N CB -0.312 38.160 38.487 -0.026 0.000 0.965 231 N HN 0.728 nan 8.380 nan 0.000 0.438 232 H N -0.610 118.299 119.070 -0.269 0.000 2.546 232 H HA 0.116 4.672 4.556 -0.001 0.000 0.277 232 H C 1.449 176.613 175.328 -0.273 0.000 1.004 232 H CA 0.710 56.522 56.048 -0.394 0.000 1.231 232 H CB -0.351 29.130 29.762 -0.467 0.000 1.382 232 H HN 0.425 nan 8.280 nan 0.000 0.580 233 I N -0.899 119.430 120.570 -0.401 0.000 3.039 233 I HA -0.065 4.105 4.170 -0.001 0.000 0.270 233 I C 1.282 177.139 176.117 -0.434 0.000 1.150 233 I CA 0.289 61.277 61.300 -0.520 0.000 1.448 233 I CB 0.037 37.529 38.000 -0.847 0.000 1.197 233 I HN -0.011 nan 8.210 nan 0.000 0.450 234 Y N 1.211 121.500 120.300 -0.019 0.000 2.478 234 Y HA 0.457 5.007 4.550 -0.001 0.000 0.261 234 Y C 1.134 177.046 175.900 0.019 0.000 1.127 234 Y CA 0.052 58.177 58.100 0.041 0.000 1.288 234 Y CB 0.070 38.605 38.460 0.125 0.000 1.084 234 Y HN 0.136 nan 8.280 nan 0.000 0.530 235 G N 0.799 109.650 108.800 0.085 0.000 2.712 235 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.686 235 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.686 235 G C 0.131 175.043 174.900 0.021 0.000 1.181 235 G CA -0.121 44.992 45.100 0.022 0.000 0.762 235 G HN 0.156 nan 8.290 nan 0.000 0.641 236 E N -0.308 119.872 120.200 -0.033 0.000 2.106 236 E HA 0.085 4.435 4.350 -0.001 0.000 0.192 236 E C 1.841 178.422 176.600 -0.031 0.000 0.984 236 E CA 2.287 58.661 56.400 -0.044 0.000 0.806 236 E CB 0.029 29.681 29.700 -0.080 0.000 0.750 236 E HN 1.182 nan 8.360 nan 0.000 0.458 237 T N -2.314 112.219 114.554 -0.036 0.000 2.950 237 T HA 0.289 4.638 4.350 -0.001 0.000 0.288 237 T C 0.931 175.592 174.700 -0.065 0.000 1.035 237 T CA -0.590 61.481 62.100 -0.048 0.000 1.028 237 T CB 1.244 70.080 68.868 -0.053 0.000 1.109 237 T HN 0.041 nan 8.240 nan 0.000 0.514 238 L N 1.365 122.521 121.223 -0.111 0.000 2.083 238 L HA -0.021 4.319 4.340 -0.001 0.000 0.209 238 L C 2.366 179.054 176.870 -0.303 0.000 1.083 238 L CA 2.335 57.031 54.840 -0.240 0.000 0.752 238 L CB -0.919 40.972 42.059 -0.280 0.000 0.899 238 L HN 0.944 nan 8.230 nan 0.000 0.433 239 D N -0.866 119.436 120.400 -0.165 0.000 2.144 239 D HA -0.295 4.345 4.640 -0.001 0.000 0.199 239 D C 2.187 178.480 176.300 -0.012 0.000 0.984 239 D CA 1.419 55.371 54.000 -0.079 0.000 0.834 239 D CB -0.422 40.354 40.800 -0.040 0.000 0.955 239 D HN 0.425 nan 8.370 nan 0.000 0.465 240 R N 0.476 120.964 120.500 -0.021 0.000 2.066 240 R HA -0.139 4.201 4.340 -0.001 0.000 0.232 240 R C 2.657 178.975 176.300 0.031 0.000 1.131 240 R CA 1.343 57.447 56.100 0.006 0.000 0.955 240 R CB -0.239 30.054 30.300 -0.011 0.000 0.851 240 R HN 0.230 nan 8.270 nan 0.000 0.432 241 Q N -0.173 119.641 119.800 0.023 0.000 2.077 241 Q HA -0.247 4.092 4.340 -0.001 0.000 0.206 241 Q C 1.690 177.738 176.000 0.079 0.000 0.989 241 Q CA 2.009 57.847 55.803 0.058 0.000 0.853 241 Q CB -0.194 28.576 28.738 0.052 0.000 0.907 241 Q HN 0.665 nan 8.270 nan 0.000 0.418 242 H N -0.531 118.526 119.070 -0.021 0.000 2.423 242 H HA -0.054 4.502 4.556 -0.001 0.000 0.297 242 H C 2.001 177.393 175.328 0.106 0.000 1.075 242 H CA 0.946 57.041 56.048 0.079 0.000 1.342 242 H CB 0.294 30.186 29.762 0.217 0.000 1.395 242 H HN 0.220 nan 8.280 nan 0.000 0.530 243 K N 0.559 121.067 120.400 0.180 0.000 2.211 243 K HA -0.061 4.258 4.320 -0.001 0.000 0.203 243 K C 1.782 178.420 176.600 0.063 0.000 1.050 243 K CA 0.638 56.993 56.287 0.114 0.000 0.945 243 K CB 0.194 32.740 32.500 0.077 0.000 0.732 243 K HN 0.249 nan 8.250 nan 0.000 0.451 244 L N 0.195 121.437 121.223 0.031 0.000 2.509 244 L HA 0.028 4.368 4.340 -0.001 0.000 0.222 244 L C 0.724 177.563 176.870 -0.051 0.000 1.123 244 L CA 0.171 55.015 54.840 0.007 0.000 0.856 244 L CB 0.058 42.130 42.059 0.022 0.000 0.985 244 L HN 0.010 nan 8.230 nan 0.000 0.456 245 R N -0.244 120.149 120.500 -0.179 0.000 2.457 245 R HA 0.162 4.502 4.340 -0.001 0.000 0.284 245 R C 0.696 176.796 176.300 -0.332 0.000 1.024 245 R CA -0.504 55.351 56.100 -0.408 0.000 1.025 245 R CB 1.556 31.255 30.300 -1.001 0.000 1.063 245 R HN -0.100 nan 8.270 nan 0.000 0.493 246 L N 2.461 123.553 121.223 -0.218 0.000 2.270 246 L HA 0.128 4.468 4.340 -0.001 0.000 0.210 246 L C 0.212 177.112 176.870 0.050 0.000 1.104 246 L CA 1.241 56.058 54.840 -0.038 0.000 0.804 246 L CB -0.169 41.916 42.059 0.044 0.000 0.937 246 L HN 0.833 nan 8.230 nan 0.000 0.450 247 F N -0.885 119.052 119.950 -0.021 0.000 3.034 247 F HA -0.314 4.213 4.527 -0.000 0.000 0.286 247 F C 0.728 176.533 175.800 0.009 0.000 0.804 247 F CA 1.191 59.166 58.000 -0.042 0.000 1.161 247 F CB -1.566 37.379 39.000 -0.092 0.000 1.317 247 F HN 0.159 nan 8.300 nan 0.000 0.453 248 K N 0.551 121.036 120.400 0.142 0.000 2.397 248 K HA 0.413 4.733 4.320 -0.001 0.000 0.253 248 K C 0.103 176.785 176.600 0.137 0.000 0.932 248 K CA -0.448 55.918 56.287 0.132 0.000 0.795 248 K CB 1.181 33.749 32.500 0.113 0.000 1.159 248 K HN 0.024 nan 8.250 nan 0.000 0.424 249 D N 2.966 123.451 120.400 0.143 0.000 3.012 249 D HA -0.190 4.450 4.640 -0.001 0.000 0.222 249 D C 0.632 177.042 176.300 0.184 0.000 1.167 249 D CA 1.890 55.983 54.000 0.154 0.000 0.854 249 D CB -1.224 39.656 40.800 0.134 0.000 1.107 249 D HN 1.061 nan 8.370 nan 0.000 0.421 250 G N -0.716 108.209 108.800 0.207 0.000 2.184 250 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.264 250 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.264 250 G C 0.385 175.550 174.900 0.441 0.000 0.975 250 G CA 0.873 46.157 45.100 0.308 0.000 0.642 250 G HN 0.494 nan 8.290 nan 0.000 0.536 251 K N -0.332 120.251 120.400 0.305 0.000 2.090 251 K HA 0.660 4.980 4.320 -0.001 0.000 0.250 251 K C 0.642 177.414 176.600 0.287 0.000 1.004 251 K CA -0.633 55.875 56.287 0.369 0.000 0.919 251 K CB 0.984 33.650 32.500 0.276 0.000 1.045 251 K HN 0.170 nan 8.250 nan 0.000 0.471 252 L N 2.039 123.449 121.223 0.311 0.000 2.357 252 L HA 0.250 4.589 4.340 -0.001 0.000 0.273 252 L C 0.394 177.385 176.870 0.202 0.000 1.080 252 L CA -0.526 54.409 54.840 0.158 0.000 0.803 252 L CB 0.815 42.933 42.059 0.098 0.000 1.174 252 L HN 0.423 nan 8.230 nan 0.000 0.443 253 K N 1.866 122.327 120.400 0.102 0.000 2.380 253 K HA 0.222 4.542 4.320 -0.001 0.000 0.267 253 K C -1.113 175.582 176.600 0.157 0.000 0.990 253 K CA 0.364 56.690 56.287 0.065 0.000 0.946 253 K CB 0.499 33.000 32.500 0.002 0.000 0.937 253 K HN 0.451 nan 8.250 nan 0.000 0.491 254 Y N -2.074 118.230 120.300 0.008 0.000 2.670 254 Y HA 0.280 4.829 4.550 -0.001 0.000 0.334 254 Y C -1.306 174.592 175.900 -0.003 0.000 1.185 254 Y CA -1.395 56.698 58.100 -0.012 0.000 1.053 254 Y CB 0.998 39.445 38.460 -0.023 0.000 1.298 254 Y HN 0.600 nan 8.280 nan 0.000 0.459 255 Q N 0.713 120.590 119.800 0.129 0.000 2.416 255 Q HA 0.851 5.191 4.340 -0.001 0.000 0.279 255 Q C -1.954 174.175 176.000 0.215 0.000 1.101 255 Q CA -1.327 54.524 55.803 0.080 0.000 0.830 255 Q CB 2.976 31.751 28.738 0.061 0.000 1.402 255 Q HN 0.601 nan 8.270 nan 0.000 0.445 256 V N 2.368 122.380 119.914 0.163 0.000 2.384 256 V HA 0.484 4.603 4.120 -0.001 0.000 0.287 256 V C -0.555 175.627 176.094 0.147 0.000 1.020 256 V CA -0.546 61.851 62.300 0.162 0.000 0.850 256 V CB 1.207 33.113 31.823 0.139 0.000 0.987 256 V HN 0.667 nan 8.190 nan 0.000 0.436 257 I N 3.588 124.282 120.570 0.206 0.000 2.439 257 I HA 0.545 4.715 4.170 -0.001 0.000 0.285 257 I C 1.040 177.252 176.117 0.158 0.000 1.021 257 I CA -0.577 60.827 61.300 0.173 0.000 1.091 257 I CB 1.740 39.842 38.000 0.169 0.000 1.242 257 I HN 0.820 nan 8.210 nan 0.000 0.439 258 G N 4.340 113.195 108.800 0.091 0.000 2.356 258 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.296 258 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.296 258 G C 1.017 175.952 174.900 0.057 0.000 1.022 258 G CA 0.728 45.868 45.100 0.066 0.000 0.961 258 G HN 1.541 nan 8.290 nan 0.000 0.510 259 G N -1.829 107.001 108.800 0.051 0.000 2.184 259 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.264 259 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.264 259 G C 0.115 175.011 174.900 -0.006 0.000 0.975 259 G CA 0.910 46.025 45.100 0.024 0.000 0.642 259 G HN 0.919 nan 8.290 nan 0.000 0.536 260 E N -0.168 120.031 120.200 -0.001 0.000 2.195 260 E HA 0.542 4.892 4.350 -0.001 0.000 0.271 260 E C -0.008 176.459 176.600 -0.221 0.000 0.923 260 E CA -0.734 55.581 56.400 -0.142 0.000 0.790 260 E CB 2.353 31.956 29.700 -0.162 0.000 1.155 260 E HN 0.094 nan 8.360 nan 0.000 0.402 261 V N 3.842 123.534 119.914 -0.369 0.000 2.461 261 V HA 0.211 4.331 4.120 -0.001 0.000 0.275 261 V C -0.654 175.099 176.094 -0.568 0.000 1.047 261 V CA 0.039 62.151 62.300 -0.312 0.000 0.955 261 V CB -0.258 31.359 31.823 -0.342 0.000 0.988 261 V HN 0.525 nan 8.190 nan 0.000 0.471 262 Y N 4.641 124.859 120.300 -0.138 0.000 2.605 262 Y HA 0.504 5.054 4.550 -0.001 0.000 0.343 262 Y C -2.269 173.450 175.900 -0.302 0.000 1.036 262 Y CA -2.723 55.174 58.100 -0.338 0.000 1.065 262 Y CB 2.151 40.264 38.460 -0.577 0.000 1.288 262 Y HN 0.427 nan 8.280 nan 0.000 0.481 263 P HA 0.034 nan 4.420 nan 0.000 0.270 263 P C -2.526 174.715 177.300 -0.097 0.000 1.223 263 P CA -0.824 62.197 63.100 -0.130 0.000 0.785 263 P CB -0.024 31.617 31.700 -0.098 0.000 0.923 264 P HA 0.066 nan 4.420 nan 0.000 0.277 264 P C -0.378 177.004 177.300 0.135 0.000 1.276 264 P CA 0.004 63.139 63.100 0.059 0.000 0.788 264 P CB 0.109 31.832 31.700 0.038 0.000 1.114 265 T N -3.439 111.189 114.554 0.123 0.000 2.902 265 T HA 0.216 4.565 4.350 -0.001 0.000 0.280 265 T C 1.455 176.209 174.700 0.091 0.000 0.992 265 T CA -0.684 61.494 62.100 0.130 0.000 1.015 265 T CB 0.133 69.044 68.868 0.073 0.000 1.044 265 T HN 0.071 nan 8.240 nan 0.000 0.520 266 V N 1.445 121.409 119.914 0.082 0.000 2.332 266 V HA -0.151 3.969 4.120 -0.001 0.000 0.248 266 V C 2.860 178.976 176.094 0.037 0.000 1.055 266 V CA 2.227 64.568 62.300 0.069 0.000 1.038 266 V CB -0.899 30.968 31.823 0.074 0.000 0.651 266 V HN 1.026 nan 8.190 nan 0.000 0.450 267 K N 0.116 120.526 120.400 0.017 0.000 2.032 267 K HA -0.287 4.032 4.320 -0.001 0.000 0.209 267 K C 1.990 178.598 176.600 0.013 0.000 1.048 267 K CA 2.281 58.572 56.287 0.006 0.000 0.927 267 K CB -0.339 32.156 32.500 -0.007 0.000 0.712 267 K HN 0.507 nan 8.250 nan 0.000 0.441 268 D N -0.416 119.994 120.400 0.018 0.000 2.117 268 D HA -0.128 4.512 4.640 -0.001 0.000 0.197 268 D C 1.741 178.054 176.300 0.022 0.000 0.987 268 D CA 2.072 56.081 54.000 0.015 0.000 0.829 268 D CB -0.013 40.795 40.800 0.013 0.000 0.961 268 D HN 0.449 nan 8.370 nan 0.000 0.460 269 T N -4.419 110.154 114.554 0.033 0.000 3.037 269 T HA 0.109 4.459 4.350 -0.001 0.000 0.252 269 T C 0.899 175.622 174.700 0.039 0.000 1.073 269 T CA 0.343 62.467 62.100 0.039 0.000 1.091 269 T CB 0.077 68.973 68.868 0.047 0.000 0.935 269 T HN 0.012 nan 8.240 nan 0.000 0.488 270 Q N -0.001 119.819 119.800 0.033 0.000 2.481 270 Q HA -0.110 4.230 4.340 -0.001 0.000 0.258 270 Q C -0.492 175.527 176.000 0.032 0.000 0.961 270 Q CA 0.483 56.303 55.803 0.029 0.000 1.121 270 Q CB -2.526 26.226 28.738 0.023 0.000 1.503 270 Q HN 0.587 nan 8.270 nan 0.000 0.544 271 V N 1.539 121.478 119.914 0.041 0.000 2.455 271 V HA 0.084 4.204 4.120 -0.001 0.000 0.273 271 V C 0.908 177.028 176.094 0.043 0.000 1.045 271 V CA -0.094 62.229 62.300 0.038 0.000 0.976 271 V CB 1.223 33.073 31.823 0.044 0.000 0.993 271 V HN 0.172 nan 8.190 nan 0.000 0.475 272 E N 5.559 125.773 120.200 0.024 0.000 2.376 272 E HA 0.247 4.597 4.350 -0.001 0.000 0.266 272 E C -0.414 176.198 176.600 0.020 0.000 1.009 272 E CA 0.043 56.456 56.400 0.022 0.000 0.902 272 E CB 0.592 30.293 29.700 0.001 0.000 0.972 272 E HN 0.429 nan 8.360 nan 0.000 0.439 273 M N 2.164 121.789 119.600 0.042 0.000 2.593 273 M HA 0.420 4.900 4.480 -0.001 0.000 0.290 273 M C -0.517 175.741 176.300 -0.069 0.000 1.244 273 M CA -0.811 54.484 55.300 -0.010 0.000 0.857 273 M CB 1.659 34.317 32.600 0.096 0.000 1.738 273 M HN 0.387 nan 8.290 nan 0.000 0.461 274 I N 1.865 122.313 120.570 -0.203 0.000 2.301 274 I HA 0.299 4.468 4.170 -0.001 0.000 0.292 274 I C -1.323 174.541 176.117 -0.420 0.000 1.046 274 I CA -0.112 61.074 61.300 -0.191 0.000 1.282 274 I CB 0.179 38.128 38.000 -0.084 0.000 1.409 274 I HN 0.473 nan 8.210 nan 0.000 0.484 275 Y N 6.374 126.591 120.300 -0.139 0.000 2.534 275 Y HA 0.430 4.980 4.550 -0.001 0.000 0.345 275 Y C -2.096 173.559 175.900 -0.409 0.000 1.031 275 Y CA -2.090 55.833 58.100 -0.296 0.000 1.022 275 Y CB 1.873 40.217 38.460 -0.193 0.000 1.292 275 Y HN 0.425 nan 8.280 nan 0.000 0.459 276 P HA 0.123 nan 4.420 nan 0.000 0.272 276 P C -2.220 174.911 177.300 -0.281 0.000 1.230 276 P CA -1.353 61.531 63.100 -0.360 0.000 0.788 276 P CB 0.622 32.066 31.700 -0.426 0.000 0.949 277 P HA -0.178 nan 4.420 nan 0.000 0.221 277 P C 1.296 178.543 177.300 -0.088 0.000 1.145 277 P CA 1.541 64.587 63.100 -0.090 0.000 0.795 277 P CB -0.467 31.217 31.700 -0.027 0.000 0.775 278 H N -1.412 117.622 119.070 -0.061 0.000 2.547 278 H HA 0.064 4.620 4.556 -0.001 0.000 0.272 278 H C 0.547 175.827 175.328 -0.080 0.000 0.989 278 H CA -0.166 55.848 56.048 -0.058 0.000 1.214 278 H CB -0.336 29.403 29.762 -0.040 0.000 1.389 278 H HN 0.020 nan 8.280 nan 0.000 0.577 279 I N 5.224 125.559 120.570 -0.392 0.000 2.517 279 I HA 0.108 4.277 4.170 -0.001 0.000 0.285 279 I C -1.937 174.029 176.117 -0.250 0.000 1.106 279 I CA -2.634 58.468 61.300 -0.330 0.000 1.402 279 I CB 0.599 38.325 38.000 -0.456 0.000 1.399 279 I HN 0.126 nan 8.210 nan 0.000 0.535 280 P HA 0.148 nan 4.420 nan 0.000 0.274 280 P C 0.519 177.692 177.300 -0.211 0.000 1.237 280 P CA -0.315 62.687 63.100 -0.163 0.000 0.793 280 P CB 1.086 32.712 31.700 -0.123 0.000 0.977 281 E N 1.725 121.834 120.200 -0.152 0.000 2.130 281 E HA -0.211 4.138 4.350 -0.001 0.000 0.196 281 E C 1.500 178.010 176.600 -0.150 0.000 0.998 281 E CA 1.445 57.761 56.400 -0.140 0.000 0.806 281 E CB -0.760 28.891 29.700 -0.082 0.000 0.738 281 E HN 0.615 nan 8.360 nan 0.000 0.459 282 N N 0.976 119.595 118.700 -0.134 0.000 2.453 282 N HA -0.147 4.593 4.740 -0.001 0.000 0.183 282 N C 1.611 177.002 175.510 -0.199 0.000 1.041 282 N CA 0.683 53.670 53.050 -0.106 0.000 0.900 282 N CB -0.217 38.226 38.487 -0.073 0.000 0.961 282 N HN 0.243 nan 8.380 nan 0.000 0.443 283 L N -0.121 120.879 121.223 -0.372 0.000 2.640 283 L HA 0.192 4.531 4.340 -0.001 0.000 0.230 283 L C 0.371 176.685 176.870 -0.927 0.000 1.123 283 L CA -0.036 54.384 54.840 -0.699 0.000 0.900 283 L CB 0.091 41.818 42.059 -0.553 0.000 1.146 283 L HN -0.026 nan 8.230 nan 0.000 0.484 284 Q N 1.096 120.482 119.800 -0.691 0.000 2.844 284 Q HA 0.218 4.558 4.340 -0.001 0.000 0.235 284 Q C -0.615 175.273 176.000 -0.186 0.000 1.336 284 Q CA -0.165 55.141 55.803 -0.829 0.000 1.026 284 Q CB -0.022 28.380 28.738 -0.560 0.000 1.513 284 Q HN 0.258 nan 8.270 nan 0.000 0.577 285 F N 0.939 120.859 119.950 -0.050 0.000 2.529 285 F HA 0.230 4.757 4.527 -0.001 0.000 0.365 285 F C 0.837 176.757 175.800 0.200 0.000 1.102 285 F CA -0.957 57.098 58.000 0.090 0.000 1.271 285 F CB 0.671 39.731 39.000 0.100 0.000 1.120 285 F HN 0.343 nan 8.300 nan 0.000 0.579 286 A N 4.145 127.159 122.820 0.324 0.000 2.271 286 A HA 0.715 5.035 4.320 -0.001 0.000 0.317 286 A C -0.576 177.095 177.584 0.146 0.000 1.245 286 A CA -0.503 51.658 52.037 0.208 0.000 0.857 286 A CB 0.782 19.867 19.000 0.141 0.000 1.175 286 A HN 0.664 nan 8.150 nan 0.000 0.512 287 V N -0.062 119.919 119.914 0.111 0.000 3.156 287 V HA 0.872 4.992 4.120 -0.001 0.000 0.310 287 V C 1.138 177.211 176.094 -0.036 0.000 1.234 287 V CA -0.053 62.280 62.300 0.055 0.000 1.065 287 V CB 0.984 32.884 31.823 0.128 0.000 1.088 287 V HN 1.024 nan 8.190 nan 0.000 0.451 288 G N -0.790 107.952 108.800 -0.096 0.000 2.440 288 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.218 288 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.218 288 G C 0.726 175.487 174.900 -0.232 0.000 1.154 288 G CA 0.844 45.859 45.100 -0.141 0.000 0.767 288 G HN 0.676 nan 8.290 nan 0.000 0.552 289 Q N 0.455 119.989 119.800 -0.443 0.000 2.303 289 Q HA 0.163 4.503 4.340 -0.001 0.000 0.257 289 Q C 1.362 177.080 176.000 -0.470 0.000 0.941 289 Q CA -0.184 55.210 55.803 -0.682 0.000 0.931 289 Q CB 1.617 29.365 28.738 -1.651 0.000 1.215 289 Q HN 0.755 nan 8.270 nan 0.000 0.437 290 E N 1.917 121.952 120.200 -0.274 0.000 2.265 290 E HA -0.151 4.199 4.350 -0.001 0.000 0.196 290 E C 1.170 177.695 176.600 -0.125 0.000 0.996 290 E CA 1.496 57.804 56.400 -0.154 0.000 0.832 290 E CB -0.076 29.560 29.700 -0.107 0.000 0.756 290 E HN 0.375 nan 8.360 nan 0.000 0.491 291 V N -2.524 117.331 119.914 -0.099 0.000 3.649 291 V HA 0.083 4.203 4.120 -0.001 0.000 0.275 291 V C 1.274 177.482 176.094 0.190 0.000 1.281 291 V CA 0.036 62.363 62.300 0.045 0.000 1.143 291 V CB -0.755 31.142 31.823 0.124 0.000 0.892 291 V HN 0.016 nan 8.190 nan 0.000 0.441 292 F N 2.743 122.660 119.950 -0.055 0.000 2.699 292 F HA 0.326 4.853 4.527 -0.000 0.000 0.298 292 F C 2.290 178.060 175.800 -0.049 0.000 1.154 292 F CA 0.341 58.326 58.000 -0.026 0.000 1.457 292 F CB -1.132 37.892 39.000 0.040 0.000 1.106 292 F HN 0.382 nan 8.300 nan 0.000 0.585 293 G N -0.323 108.502 108.800 0.042 0.000 2.598 293 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.215 293 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.215 293 G C 1.789 176.610 174.900 -0.132 0.000 1.131 293 G CA 0.298 45.385 45.100 -0.021 0.000 0.785 293 G HN 0.347 nan 8.290 nan 0.000 0.539 294 L N 0.845 121.884 121.223 -0.308 0.000 2.013 294 L HA 0.027 4.367 4.340 -0.001 0.000 0.212 294 L C 0.972 177.460 176.870 -0.637 0.000 1.073 294 L CA 1.832 56.196 54.840 -0.793 0.000 0.753 294 L CB -0.145 41.687 42.059 -0.378 0.000 0.890 294 L HN 0.174 nan 8.230 nan 0.000 0.432 295 V N -6.967 112.715 119.914 -0.388 0.000 2.888 295 V HA 0.458 4.577 4.120 -0.001 0.000 0.309 295 V C -2.123 173.676 176.094 -0.493 0.000 1.114 295 V CA -1.459 60.544 62.300 -0.495 0.000 0.940 295 V CB 1.128 32.769 31.823 -0.304 0.000 1.021 295 V HN -0.143 nan 8.190 nan 0.000 0.426 296 P HA -0.017 nan 4.420 nan 0.000 0.219 296 P C 1.654 178.827 177.300 -0.211 0.000 1.146 296 P CA 2.003 64.866 63.100 -0.395 0.000 0.808 296 P CB 0.108 31.593 31.700 -0.358 0.000 0.779 297 G N -0.219 108.314 108.800 -0.444 0.000 2.442 297 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.219 297 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.219 297 G C 1.463 176.140 174.900 -0.371 0.000 1.141 297 G CA 0.518 45.130 45.100 -0.813 0.000 0.763 297 G HN 0.243 nan 8.290 nan 0.000 0.554 298 L N -0.794 120.247 121.223 -0.303 0.000 2.072 298 L HA 0.034 4.374 4.340 -0.001 0.000 0.205 298 L C 2.782 179.572 176.870 -0.134 0.000 1.079 298 L CA 0.987 55.686 54.840 -0.234 0.000 0.752 298 L CB -0.296 41.508 42.059 -0.426 0.000 0.906 298 L HN 0.217 nan 8.230 nan 0.000 0.436 299 M N -0.538 119.009 119.600 -0.088 0.000 2.296 299 M HA -0.198 4.282 4.480 -0.001 0.000 0.265 299 M C 2.130 178.401 176.300 -0.048 0.000 1.064 299 M CA 1.555 56.866 55.300 0.019 0.000 1.109 299 M CB -0.335 32.313 32.600 0.082 0.000 1.396 299 M HN 0.184 nan 8.290 nan 0.000 0.430 300 M N -1.369 118.147 119.600 -0.141 0.000 2.065 300 M HA -0.277 4.202 4.480 -0.001 0.000 0.259 300 M C 1.662 177.828 176.300 -0.223 0.000 1.069 300 M CA 1.990 57.157 55.300 -0.220 0.000 1.110 300 M CB -0.363 32.124 32.600 -0.188 0.000 1.328 300 M HN 0.264 nan 8.290 nan 0.000 0.405 301 Y N 0.215 120.417 120.300 -0.164 0.000 2.242 301 Y HA -0.068 4.482 4.550 -0.001 0.000 0.291 301 Y C 2.637 178.399 175.900 -0.231 0.000 1.137 301 Y CA 1.459 59.384 58.100 -0.291 0.000 1.181 301 Y CB -1.008 37.084 38.460 -0.613 0.000 0.989 301 Y HN 0.396 nan 8.280 nan 0.000 0.527 302 A N -0.597 122.229 122.820 0.009 0.000 1.908 302 A HA -0.216 4.104 4.320 -0.001 0.000 0.218 302 A C 2.297 179.944 177.584 0.105 0.000 1.181 302 A CA 2.402 54.558 52.037 0.199 0.000 0.627 302 A CB -1.193 17.977 19.000 0.284 0.000 0.818 302 A HN 0.415 nan 8.150 nan 0.000 0.445 303 T N 0.160 114.719 114.554 0.009 0.000 2.777 303 T HA -0.048 4.301 4.350 -0.001 0.000 0.266 303 T C 1.813 176.453 174.700 -0.101 0.000 1.040 303 T CA 1.395 63.453 62.100 -0.070 0.000 1.141 303 T CB -0.380 68.413 68.868 -0.124 0.000 0.868 303 T HN 0.419 nan 8.240 nan 0.000 0.444 304 I N -0.625 119.868 120.570 -0.128 0.000 2.163 304 I HA -0.197 3.973 4.170 -0.001 0.000 0.243 304 I C 2.220 178.242 176.117 -0.159 0.000 1.085 304 I CA 1.535 62.715 61.300 -0.200 0.000 1.347 304 I CB -0.297 37.532 38.000 -0.284 0.000 1.044 304 I HN 0.343 nan 8.210 nan 0.000 0.408 305 W N 0.104 121.394 121.300 -0.015 0.000 2.402 305 W HA -0.161 4.499 4.660 -0.001 0.000 0.286 305 W C 2.377 178.891 176.519 -0.008 0.000 1.221 305 W CA 0.199 57.548 57.345 0.008 0.000 1.257 305 W CB -0.326 29.135 29.460 0.002 0.000 1.120 305 W HN 0.121 nan 8.180 nan 0.000 0.551 306 L N 1.223 122.545 121.223 0.166 0.000 2.017 306 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 306 L C 2.287 179.203 176.870 0.076 0.000 1.073 306 L CA 1.911 56.804 54.840 0.090 0.000 0.745 306 L CB -0.910 41.166 42.059 0.028 0.000 0.894 306 L HN -0.067 nan 8.230 nan 0.000 0.432 307 R N -0.591 119.899 120.500 -0.017 0.000 2.091 307 R HA -0.214 4.125 4.340 -0.001 0.000 0.238 307 R C 2.220 178.510 176.300 -0.017 0.000 1.136 307 R CA 1.475 57.528 56.100 -0.079 0.000 0.959 307 R CB -0.416 29.791 30.300 -0.155 0.000 0.856 307 R HN 0.415 nan 8.270 nan 0.000 0.437 308 E N 0.276 120.488 120.200 0.020 0.000 2.077 308 E HA -0.232 4.118 4.350 -0.001 0.000 0.193 308 E C 1.753 178.444 176.600 0.151 0.000 0.989 308 E CA 1.731 58.164 56.400 0.055 0.000 0.800 308 E CB -0.220 29.503 29.700 0.037 0.000 0.746 308 E HN 0.431 nan 8.360 nan 0.000 0.452 309 H N -0.130 119.036 119.070 0.160 0.000 2.319 309 H HA -0.077 4.478 4.556 -0.001 0.000 0.299 309 H C 1.619 177.030 175.328 0.138 0.000 1.092 309 H CA 2.338 58.500 56.048 0.190 0.000 1.302 309 H CB -0.145 29.755 29.762 0.230 0.000 1.373 309 H HN 0.144 nan 8.280 nan 0.000 0.497 310 N N 0.119 118.921 118.700 0.170 0.000 2.244 310 N HA -0.113 4.626 4.740 -0.001 0.000 0.183 310 N C 1.975 177.482 175.510 -0.004 0.000 1.016 310 N CA 0.880 53.978 53.050 0.082 0.000 0.866 310 N CB -0.336 38.180 38.487 0.049 0.000 0.980 310 N HN 0.407 nan 8.380 nan 0.000 0.430 311 R N 0.668 121.160 120.500 -0.014 0.000 2.073 311 R HA -0.040 4.300 4.340 -0.001 0.000 0.234 311 R C 1.657 177.949 176.300 -0.013 0.000 1.134 311 R CA 1.077 57.163 56.100 -0.024 0.000 0.952 311 R CB -0.180 30.102 30.300 -0.030 0.000 0.850 311 R HN -0.013 nan 8.270 nan 0.000 0.433 312 V N 0.225 120.130 119.914 -0.015 0.000 2.427 312 V HA -0.305 3.815 4.120 -0.001 0.000 0.248 312 V C 2.536 178.622 176.094 -0.013 0.000 1.051 312 V CA 1.600 63.899 62.300 -0.003 0.000 1.048 312 V CB -0.467 31.366 31.823 0.017 0.000 0.666 312 V HN 0.534 nan 8.190 nan 0.000 0.456 313 C N 0.176 119.434 119.300 -0.070 0.000 2.398 313 C HA -0.198 4.261 4.460 -0.001 0.000 0.276 313 C C 2.546 177.561 174.990 0.042 0.000 1.222 313 C CA 1.170 60.185 59.018 -0.006 0.000 1.746 313 C CB -1.060 26.681 27.740 0.002 0.000 2.039 313 C HN 0.603 nan 8.230 nan 0.000 0.470 314 D N 0.696 121.110 120.400 0.023 0.000 2.117 314 D HA -0.080 4.560 4.640 -0.001 0.000 0.197 314 D C 2.079 178.388 176.300 0.015 0.000 0.987 314 D CA 1.034 55.047 54.000 0.022 0.000 0.829 314 D CB -0.337 40.467 40.800 0.006 0.000 0.961 314 D HN 0.311 nan 8.370 nan 0.000 0.460 315 I N 0.873 121.450 120.570 0.012 0.000 2.179 315 I HA -0.204 3.966 4.170 -0.001 0.000 0.242 315 I C 2.586 178.706 176.117 0.004 0.000 1.088 315 I CA 0.783 62.086 61.300 0.005 0.000 1.357 315 I CB -1.012 36.996 38.000 0.014 0.000 1.051 315 I HN 0.060 nan 8.210 nan 0.000 0.409 316 L N 0.364 121.614 121.223 0.045 0.000 2.083 316 L HA -0.229 4.111 4.340 -0.001 0.000 0.209 316 L C 2.597 179.481 176.870 0.022 0.000 1.083 316 L CA 1.345 56.226 54.840 0.068 0.000 0.752 316 L CB -0.554 41.618 42.059 0.189 0.000 0.899 316 L HN 0.247 nan 8.230 nan 0.000 0.433 317 K N 0.061 120.493 120.400 0.054 0.000 2.097 317 K HA -0.247 4.073 4.320 -0.001 0.000 0.205 317 K C 2.184 178.772 176.600 -0.020 0.000 1.050 317 K CA 1.324 57.640 56.287 0.049 0.000 0.938 317 K CB 0.012 32.558 32.500 0.075 0.000 0.718 317 K HN 0.223 nan 8.250 nan 0.000 0.442 318 Q N 0.177 119.953 119.800 -0.039 0.000 2.084 318 Q HA -0.175 4.164 4.340 -0.001 0.000 0.202 318 Q C 1.568 177.482 176.000 -0.144 0.000 0.978 318 Q CA 1.584 57.346 55.803 -0.069 0.000 0.844 318 Q CB 0.197 28.903 28.738 -0.054 0.000 0.898 318 Q HN 0.287 nan 8.270 nan 0.000 0.426 319 E N -0.459 119.610 120.200 -0.218 0.000 2.152 319 E HA -0.072 4.278 4.350 -0.001 0.000 0.192 319 E C 0.174 176.339 176.600 -0.726 0.000 0.983 319 E CA 0.900 57.034 56.400 -0.444 0.000 0.818 319 E CB 0.234 29.639 29.700 -0.493 0.000 0.758 319 E HN 0.425 nan 8.360 nan 0.000 0.467 320 H N 0.126 118.968 119.070 -0.380 0.000 2.380 320 H HA 0.163 4.719 4.556 -0.001 0.000 0.231 320 H C -1.780 173.406 175.328 -0.237 0.000 1.415 320 H CA -1.544 54.184 56.048 -0.533 0.000 1.433 320 H CB 1.246 30.177 29.762 -1.384 0.000 1.544 320 H HN -0.000 nan 8.280 nan 0.000 0.503 321 P HA -0.160 nan 4.420 nan 0.000 0.222 321 P C 1.344 178.693 177.300 0.083 0.000 1.147 321 P CA 1.028 64.140 63.100 0.020 0.000 0.790 321 P CB 0.459 32.156 31.700 -0.004 0.000 0.780 322 E N -1.505 118.755 120.200 0.101 0.000 2.435 322 E HA -0.105 4.244 4.350 -0.001 0.000 0.195 322 E C 0.173 176.962 176.600 0.314 0.000 1.029 322 E CA 0.156 56.659 56.400 0.172 0.000 0.865 322 E CB -0.571 29.226 29.700 0.162 0.000 0.833 322 E HN 0.163 nan 8.360 nan 0.000 0.510 323 W N 1.732 123.079 121.300 0.079 0.000 2.251 323 W HA 0.560 5.219 4.660 -0.000 0.000 0.329 323 W C 1.056 177.607 176.519 0.053 0.000 1.234 323 W CA -0.290 57.084 57.345 0.048 0.000 1.228 323 W CB 0.809 30.289 29.460 0.033 0.000 1.135 323 W HN -0.030 nan 8.180 nan 0.000 0.576 324 G N 0.749 109.675 108.800 0.209 0.000 2.522 324 G HA2 0.125 4.085 3.960 -0.001 0.000 0.304 324 G HA3 0.125 4.085 3.960 -0.001 0.000 0.304 324 G C 0.351 175.335 174.900 0.140 0.000 1.210 324 G CA -0.207 44.975 45.100 0.137 0.000 0.960 324 G HN 0.486 nan 8.290 nan 0.000 0.497 325 D N -0.831 119.650 120.400 0.134 0.000 2.116 325 D HA -0.203 4.437 4.640 -0.001 0.000 0.193 325 D C 2.002 178.395 176.300 0.155 0.000 0.998 325 D CA 1.890 55.983 54.000 0.155 0.000 0.836 325 D CB 0.103 40.999 40.800 0.160 0.000 0.951 325 D HN 0.430 nan 8.370 nan 0.000 0.449 326 E N 0.198 120.465 120.200 0.110 0.000 2.051 326 E HA -0.237 4.113 4.350 -0.001 0.000 0.192 326 E C 2.094 178.736 176.600 0.071 0.000 0.991 326 E CA 1.452 57.917 56.400 0.109 0.000 0.799 326 E CB -0.385 29.353 29.700 0.062 0.000 0.748 326 E HN 0.471 nan 8.360 nan 0.000 0.449 327 Q N -0.403 119.344 119.800 -0.088 0.000 2.119 327 Q HA -0.107 4.232 4.340 -0.001 0.000 0.201 327 Q C 2.245 178.134 176.000 -0.185 0.000 0.972 327 Q CA 1.303 56.907 55.803 -0.331 0.000 0.847 327 Q CB -0.099 28.145 28.738 -0.824 0.000 0.903 327 Q HN 0.358 nan 8.270 nan 0.000 0.433 328 L N -0.225 121.048 121.223 0.084 0.000 2.012 328 L HA -0.191 4.149 4.340 -0.001 0.000 0.210 328 L C 2.305 179.288 176.870 0.188 0.000 1.073 328 L CA 1.407 56.400 54.840 0.255 0.000 0.748 328 L CB -0.557 41.674 42.059 0.287 0.000 0.891 328 L HN 0.321 nan 8.230 nan 0.000 0.431 329 F N 0.490 120.495 119.950 0.092 0.000 2.075 329 F HA -0.261 4.266 4.527 -0.000 0.000 0.297 329 F C 2.730 178.586 175.800 0.092 0.000 1.113 329 F CA 1.621 59.705 58.000 0.140 0.000 1.218 329 F CB -0.245 38.799 39.000 0.074 0.000 0.984 329 F HN 0.040 nan 8.300 nan 0.000 0.472 330 Q N -0.027 119.750 119.800 -0.038 0.000 2.084 330 Q HA -0.135 4.205 4.340 -0.001 0.000 0.202 330 Q C 2.243 178.152 176.000 -0.152 0.000 0.978 330 Q CA 2.197 57.903 55.803 -0.163 0.000 0.844 330 Q CB -1.161 27.567 28.738 -0.016 0.000 0.898 330 Q HN 0.437 nan 8.270 nan 0.000 0.426 331 T N 0.869 115.383 114.554 -0.067 0.000 2.821 331 T HA -0.059 4.291 4.350 -0.001 0.000 0.267 331 T C 2.165 176.932 174.700 0.111 0.000 1.046 331 T CA 1.299 63.431 62.100 0.054 0.000 1.139 331 T CB -0.116 68.855 68.868 0.172 0.000 0.871 331 T HN 0.191 nan 8.240 nan 0.000 0.454 332 S N 1.024 116.740 115.700 0.028 0.000 2.368 332 S HA -0.112 4.358 4.470 -0.001 0.000 0.225 332 S C 2.080 176.719 174.600 0.065 0.000 1.030 332 S CA 1.089 59.286 58.200 -0.005 0.000 0.999 332 S CB -0.252 62.776 63.200 -0.286 0.000 0.844 332 S HN 0.452 nan 8.310 nan 0.000 0.459 333 R N 1.047 121.480 120.500 -0.112 0.000 2.083 333 R HA -0.042 4.298 4.340 -0.001 0.000 0.237 333 R C 2.134 178.485 176.300 0.085 0.000 1.137 333 R CA 1.246 57.254 56.100 -0.153 0.000 0.951 333 R CB -0.400 29.454 30.300 -0.744 0.000 0.851 333 R HN 0.353 nan 8.270 nan 0.000 0.434 334 L N 0.324 121.626 121.223 0.131 0.000 2.083 334 L HA -0.182 4.158 4.340 -0.001 0.000 0.209 334 L C 2.470 179.629 176.870 0.481 0.000 1.083 334 L CA 1.223 56.267 54.840 0.339 0.000 0.752 334 L CB -0.375 41.895 42.059 0.351 0.000 0.899 334 L HN 0.292 nan 8.230 nan 0.000 0.433 335 I N -0.540 120.278 120.570 0.413 0.000 2.179 335 I HA -0.311 3.859 4.170 -0.001 0.000 0.242 335 I C 2.371 178.652 176.117 0.273 0.000 1.088 335 I CA 1.175 62.658 61.300 0.305 0.000 1.357 335 I CB -0.168 37.987 38.000 0.258 0.000 1.051 335 I HN 0.174 nan 8.210 nan 0.000 0.409 336 L N 0.282 121.687 121.223 0.303 0.000 2.131 336 L HA -0.191 4.149 4.340 -0.001 0.000 0.210 336 L C 2.297 179.319 176.870 0.253 0.000 1.092 336 L CA 1.745 56.794 54.840 0.349 0.000 0.759 336 L CB -0.526 41.782 42.059 0.415 0.000 0.903 336 L HN 0.170 nan 8.230 nan 0.000 0.435 337 I N -1.016 119.701 120.570 0.245 0.000 2.179 337 I HA -0.256 3.914 4.170 -0.001 0.000 0.242 337 I C 2.519 178.764 176.117 0.214 0.000 1.088 337 I CA 1.498 62.923 61.300 0.208 0.000 1.357 337 I CB -0.947 37.192 38.000 0.232 0.000 1.051 337 I HN 0.346 nan 8.210 nan 0.000 0.409 338 G N 0.192 109.159 108.800 0.278 0.000 2.446 338 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.217 338 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.217 338 G C 1.513 176.546 174.900 0.221 0.000 1.168 338 G CA 0.661 45.939 45.100 0.296 0.000 0.771 338 G HN 0.409 nan 8.290 nan 0.000 0.551 339 E N -0.161 120.186 120.200 0.245 0.000 2.085 339 E HA -0.124 4.225 4.350 -0.001 0.000 0.194 339 E C 2.787 179.569 176.600 0.303 0.000 0.994 339 E CA 1.503 58.074 56.400 0.286 0.000 0.801 339 E CB -0.250 29.689 29.700 0.398 0.000 0.743 339 E HN 0.366 nan 8.360 nan 0.000 0.453 340 T N 1.444 116.163 114.554 0.275 0.000 2.708 340 T HA -0.131 4.219 4.350 -0.001 0.000 0.266 340 T C 2.024 176.751 174.700 0.046 0.000 1.037 340 T CA 0.997 63.220 62.100 0.205 0.000 1.146 340 T CB -0.205 68.677 68.868 0.025 0.000 0.865 340 T HN 0.113 nan 8.240 nan 0.000 0.435 341 I N 0.854 121.370 120.570 -0.090 0.000 2.226 341 I HA -0.173 3.997 4.170 -0.001 0.000 0.245 341 I C 2.557 178.350 176.117 -0.541 0.000 1.100 341 I CA 1.146 62.228 61.300 -0.363 0.000 1.374 341 I CB -0.309 37.337 38.000 -0.590 0.000 1.057 341 I HN 0.143 nan 8.210 nan 0.000 0.413 342 K N 1.870 121.999 120.400 -0.453 0.000 2.009 342 K HA -0.167 4.152 4.320 -0.001 0.000 0.210 342 K C 1.867 178.477 176.600 0.018 0.000 1.049 342 K CA 1.864 58.083 56.287 -0.113 0.000 0.929 342 K CB -0.406 32.201 32.500 0.179 0.000 0.714 342 K HN 0.252 nan 8.250 nan 0.000 0.440 343 I N -0.032 120.582 120.570 0.074 0.000 2.252 343 I HA -0.231 3.939 4.170 -0.001 0.000 0.245 343 I C 2.057 178.224 176.117 0.083 0.000 1.102 343 I CA 0.770 62.136 61.300 0.111 0.000 1.385 343 I CB -0.160 37.962 38.000 0.203 0.000 1.064 343 I HN -0.026 nan 8.210 nan 0.000 0.414 344 V N 1.202 121.127 119.914 0.018 0.000 2.332 344 V HA -0.290 3.829 4.120 -0.001 0.000 0.248 344 V C 2.250 178.426 176.094 0.136 0.000 1.055 344 V CA 1.951 64.243 62.300 -0.014 0.000 1.038 344 V CB -0.382 31.258 31.823 -0.305 0.000 0.651 344 V HN 0.330 nan 8.190 nan 0.000 0.450 345 I N -0.479 120.129 120.570 0.065 0.000 2.206 345 I HA -0.149 4.020 4.170 -0.001 0.000 0.239 345 I C 2.423 178.610 176.117 0.117 0.000 1.078 345 I CA 1.525 62.888 61.300 0.106 0.000 1.367 345 I CB -0.346 37.708 38.000 0.090 0.000 1.078 345 I HN 0.307 nan 8.210 nan 0.000 0.413 346 E N 0.213 120.477 120.200 0.107 0.000 2.385 346 E HA -0.097 4.252 4.350 -0.001 0.000 0.194 346 E C 0.980 177.643 176.600 0.104 0.000 1.013 346 E CA 0.562 57.016 56.400 0.090 0.000 0.866 346 E CB 0.266 30.017 29.700 0.085 0.000 0.832 346 E HN 0.500 nan 8.360 nan 0.000 0.500 347 D N -0.568 119.929 120.400 0.162 0.000 2.995 347 D HA -0.049 4.591 4.640 -0.001 0.000 0.289 347 D C 1.572 178.125 176.300 0.422 0.000 1.116 347 D CA 0.314 54.466 54.000 0.254 0.000 0.994 347 D CB -0.231 40.708 40.800 0.231 0.000 1.209 347 D HN 0.062 nan 8.370 nan 0.000 0.458 348 Y N 2.466 122.883 120.300 0.195 0.000 2.130 348 Y HA -0.137 4.413 4.550 -0.001 0.000 0.287 348 Y C 2.197 178.202 175.900 0.175 0.000 1.124 348 Y CA 1.373 59.465 58.100 -0.013 0.000 1.118 348 Y CB -0.483 37.786 38.460 -0.317 0.000 0.994 348 Y HN -0.277 nan 8.280 nan 0.000 0.497 349 V N 0.899 120.910 119.914 0.161 0.000 2.343 349 V HA -0.312 3.807 4.120 -0.001 0.000 0.247 349 V C 2.359 178.440 176.094 -0.022 0.000 1.051 349 V CA 2.136 64.471 62.300 0.060 0.000 1.036 349 V CB -0.907 31.015 31.823 0.166 0.000 0.654 349 V HN 0.439 nan 8.190 nan 0.000 0.451 350 Q N 0.397 120.219 119.800 0.036 0.000 2.045 350 Q HA -0.296 4.043 4.340 -0.001 0.000 0.206 350 Q C 2.133 178.092 176.000 -0.067 0.000 0.991 350 Q CA 2.745 58.539 55.803 -0.015 0.000 0.851 350 Q CB -0.572 28.192 28.738 0.043 0.000 0.911 350 Q HN 0.850 nan 8.270 nan 0.000 0.418 351 H N -0.444 118.589 119.070 -0.061 0.000 2.293 351 H HA -0.125 4.431 4.556 -0.001 0.000 0.300 351 H C 1.709 176.870 175.328 -0.279 0.000 1.082 351 H CA 2.177 58.150 56.048 -0.126 0.000 1.308 351 H CB -0.363 29.377 29.762 -0.035 0.000 1.375 351 H HN 0.370 nan 8.280 nan 0.000 0.495 352 L N 0.117 121.069 121.223 -0.451 0.000 2.201 352 L HA 0.011 4.351 4.340 -0.001 0.000 0.212 352 L C 2.392 178.987 176.870 -0.458 0.000 1.105 352 L CA 1.743 56.254 54.840 -0.548 0.000 0.775 352 L CB -1.425 40.524 42.059 -0.183 0.000 0.913 352 L HN 0.404 nan 8.230 nan 0.000 0.440 353 S N 0.169 115.594 115.700 -0.459 0.000 2.382 353 S HA 0.077 4.546 4.470 -0.001 0.000 0.228 353 S C 1.921 176.095 174.600 -0.710 0.000 1.027 353 S CA 0.875 58.628 58.200 -0.746 0.000 0.991 353 S CB -1.256 61.233 63.200 -1.185 0.000 0.823 353 S HN 1.046 nan 8.310 nan 0.000 0.469 354 G N -0.252 108.224 108.800 -0.541 0.000 2.162 354 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.260 354 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.260 354 G C -0.139 174.561 174.900 -0.333 0.000 0.976 354 G CA 0.431 45.292 45.100 -0.399 0.000 0.655 354 G HN 0.540 nan 8.290 nan 0.000 0.533 355 Y N 0.349 120.434 120.300 -0.358 0.000 2.336 355 Y HA 0.461 5.010 4.550 -0.001 0.000 0.331 355 Y C 1.741 177.371 175.900 -0.451 0.000 1.211 355 Y CA -0.911 56.918 58.100 -0.452 0.000 1.346 355 Y CB 0.485 38.766 38.460 -0.298 0.000 1.271 355 Y HN 0.203 nan 8.280 nan 0.000 0.538 356 H N 1.385 120.311 119.070 -0.241 0.000 2.512 356 H HA -0.054 4.502 4.556 -0.001 0.000 0.279 356 H C 0.305 175.498 175.328 -0.224 0.000 0.999 356 H CA 0.021 55.941 56.048 -0.213 0.000 1.283 356 H CB -0.071 29.613 29.762 -0.131 0.000 1.421 356 H HN 0.472 nan 8.280 nan 0.000 0.554 357 F N 2.906 122.490 119.950 -0.609 0.000 2.578 357 F HA 0.103 4.630 4.527 -0.001 0.000 0.376 357 F C 0.793 176.546 175.800 -0.078 0.000 1.085 357 F CA -0.514 57.246 58.000 -0.401 0.000 1.260 357 F CB 0.504 39.066 39.000 -0.730 0.000 1.095 357 F HN -0.219 nan 8.300 nan 0.000 0.573 358 K N 8.062 128.008 120.400 -0.755 0.000 2.273 358 K HA 0.310 4.630 4.320 -0.001 0.000 0.287 358 K C -0.572 175.507 176.600 -0.868 0.000 1.089 358 K CA -0.453 55.493 56.287 -0.568 0.000 0.909 358 K CB 0.141 32.472 32.500 -0.281 0.000 1.123 358 K HN 0.735 nan 8.250 nan 0.000 0.473 359 L N 3.208 124.143 121.223 -0.479 0.000 2.482 359 L HA 0.155 4.494 4.340 -0.001 0.000 0.273 359 L C 0.358 177.156 176.870 -0.119 0.000 1.228 359 L CA 0.300 55.002 54.840 -0.230 0.000 0.827 359 L CB 0.314 42.375 42.059 0.004 0.000 1.099 359 L HN 0.585 nan 8.230 nan 0.000 0.494 360 K N 1.481 121.882 120.400 0.001 0.000 2.482 360 K HA 0.307 4.627 4.320 -0.001 0.000 0.251 360 K C -1.522 175.158 176.600 0.133 0.000 0.936 360 K CA -0.706 55.607 56.287 0.044 0.000 0.791 360 K CB 1.616 34.124 32.500 0.013 0.000 1.213 360 K HN 0.291 nan 8.250 nan 0.000 0.428 361 F N 4.642 124.581 119.950 -0.019 0.000 2.375 361 F HA 0.329 4.856 4.527 -0.001 0.000 0.362 361 F C -0.879 174.868 175.800 -0.089 0.000 1.129 361 F CA -0.712 57.260 58.000 -0.047 0.000 1.154 361 F CB 0.529 39.520 39.000 -0.015 0.000 1.205 361 F HN 0.488 nan 8.300 nan 0.000 0.513 362 D N 8.408 128.536 120.400 -0.453 0.000 2.337 362 D HA 0.307 4.947 4.640 -0.001 0.000 0.238 362 D C -2.322 173.584 176.300 -0.657 0.000 1.331 362 D CA -1.836 51.832 54.000 -0.554 0.000 0.967 362 D CB 1.757 42.413 40.800 -0.241 0.000 1.382 362 D HN 0.168 nan 8.370 nan 0.000 0.549 363 P HA -0.115 nan 4.420 nan 0.000 0.218 363 P C 0.857 177.514 177.300 -1.072 0.000 1.146 363 P CA 0.995 63.542 63.100 -0.921 0.000 0.813 363 P CB 0.369 31.288 31.700 -1.303 0.000 0.778 364 E N -0.625 118.935 120.200 -1.067 0.000 2.265 364 E HA -0.125 4.225 4.350 -0.001 0.000 0.196 364 E C 1.807 178.003 176.600 -0.674 0.000 0.996 364 E CA 0.625 56.288 56.400 -1.229 0.000 0.832 364 E CB -0.584 28.872 29.700 -0.406 0.000 0.756 364 E HN 0.325 nan 8.360 nan 0.000 0.491 365 L N 0.363 121.326 121.223 -0.432 0.000 2.187 365 L HA -0.175 4.165 4.340 -0.001 0.000 0.213 365 L C 2.057 178.823 176.870 -0.174 0.000 1.100 365 L CA 0.871 55.577 54.840 -0.224 0.000 0.765 365 L CB -0.209 41.749 42.059 -0.168 0.000 0.904 365 L HN 0.181 nan 8.230 nan 0.000 0.437 366 L N -1.976 119.107 121.223 -0.233 0.000 2.607 366 L HA 0.052 4.391 4.340 -0.001 0.000 0.228 366 L C 1.941 178.945 176.870 0.222 0.000 1.123 366 L CA 0.007 54.802 54.840 -0.076 0.000 0.890 366 L CB -0.171 41.735 42.059 -0.256 0.000 1.103 366 L HN 0.184 nan 8.230 nan 0.000 0.468 367 F N 1.353 121.354 119.950 0.084 0.000 2.365 367 F HA -0.135 4.392 4.527 -0.001 0.000 0.300 367 F C 1.871 177.741 175.800 0.117 0.000 1.090 367 F CA 0.352 58.432 58.000 0.133 0.000 1.408 367 F CB -0.009 39.067 39.000 0.127 0.000 1.060 367 F HN 0.406 nan 8.300 nan 0.000 0.534 368 N N -0.712 118.146 118.700 0.263 0.000 2.251 368 N HA 0.002 4.742 4.740 -0.001 0.000 0.217 368 N C -0.262 175.332 175.510 0.140 0.000 1.124 368 N CA 0.088 53.245 53.050 0.178 0.000 0.843 368 N CB -0.125 38.447 38.487 0.141 0.000 1.024 368 N HN 0.128 nan 8.380 nan 0.000 0.501 369 Q N 0.353 120.244 119.800 0.153 0.000 2.348 369 Q HA 0.308 4.648 4.340 -0.001 0.000 0.271 369 Q C -0.500 175.597 176.000 0.161 0.000 1.067 369 Q CA -0.454 55.425 55.803 0.127 0.000 0.839 369 Q CB 1.852 30.645 28.738 0.092 0.000 1.354 369 Q HN 0.329 nan 8.270 nan 0.000 0.447 370 Q N 1.140 121.024 119.800 0.140 0.000 2.297 370 Q HA 0.437 4.776 4.340 -0.001 0.000 0.267 370 Q C -1.038 175.082 176.000 0.201 0.000 1.006 370 Q CA 0.346 56.233 55.803 0.140 0.000 0.896 370 Q CB 0.440 29.239 28.738 0.102 0.000 1.186 370 Q HN 0.388 nan 8.270 nan 0.000 0.392 371 F N 1.254 121.167 119.950 -0.061 0.000 2.654 371 F HA 0.149 4.676 4.527 -0.001 0.000 0.314 371 F C -1.587 174.039 175.800 -0.291 0.000 1.116 371 F CA -0.840 57.050 58.000 -0.183 0.000 1.017 371 F CB 1.650 40.491 39.000 -0.266 0.000 1.285 371 F HN 0.295 nan 8.300 nan 0.000 0.448 372 Q N 5.384 124.642 119.800 -0.903 0.000 2.331 372 Q HA 0.218 4.558 4.340 -0.001 0.000 0.257 372 Q C -1.269 174.321 176.000 -0.683 0.000 0.957 372 Q CA -0.309 55.144 55.803 -0.583 0.000 0.923 372 Q CB 1.170 29.673 28.738 -0.390 0.000 1.212 372 Q HN 0.695 nan 8.270 nan 0.000 0.443 373 Y N 3.029 123.301 120.300 -0.046 0.000 2.623 373 Y HA 0.061 4.611 4.550 -0.001 0.000 0.341 373 Y C 0.724 176.624 175.900 0.000 0.000 1.292 373 Y CA -0.145 58.000 58.100 0.075 0.000 1.840 373 Y CB 0.165 38.725 38.460 0.167 0.000 1.865 373 Y HN 0.424 nan 8.280 nan 0.000 0.440 374 Q N 0.055 119.859 119.800 0.006 0.000 2.633 374 Q HA 0.554 4.894 4.340 -0.001 0.000 0.289 374 Q C -2.016 173.948 176.000 -0.060 0.000 0.940 374 Q CA -1.287 54.511 55.803 -0.008 0.000 0.785 374 Q CB 2.153 30.878 28.738 -0.022 0.000 1.467 374 Q HN 0.292 nan 8.270 nan 0.000 0.401 375 N N -0.409 118.262 118.700 -0.049 0.000 2.504 375 N HA 0.563 5.303 4.740 -0.001 0.000 0.268 375 N C -2.226 173.238 175.510 -0.077 0.000 1.184 375 N CA -0.515 52.501 53.050 -0.057 0.000 0.875 375 N CB 2.404 40.874 38.487 -0.028 0.000 1.630 375 N HN 0.620 nan 8.380 nan 0.000 0.486 376 R N 2.662 123.111 120.500 -0.085 0.000 2.561 376 R HA 0.542 4.882 4.340 -0.001 0.000 0.297 376 R C -0.962 175.395 176.300 0.094 0.000 0.969 376 R CA -0.597 55.416 56.100 -0.144 0.000 0.879 376 R CB 0.671 30.802 30.300 -0.281 0.000 1.178 376 R HN 0.531 nan 8.270 nan 0.000 0.445 377 I N 3.675 124.479 120.570 0.390 0.000 2.533 377 I HA 0.220 4.389 4.170 -0.001 0.000 0.284 377 I C 0.502 176.824 176.117 0.342 0.000 1.109 377 I CA -0.075 61.442 61.300 0.362 0.000 1.412 377 I CB 0.578 38.841 38.000 0.438 0.000 1.396 377 I HN 0.714 nan 8.210 nan 0.000 0.543 378 A N 4.807 127.715 122.820 0.147 0.000 2.363 378 A HA 0.257 4.576 4.320 -0.001 0.000 0.270 378 A C 1.298 178.808 177.584 -0.124 0.000 1.121 378 A CA -0.136 51.897 52.037 -0.007 0.000 0.800 378 A CB 0.713 19.570 19.000 -0.237 0.000 1.052 378 A HN 0.811 nan 8.150 nan 0.000 0.493 379 S N 1.194 116.822 115.700 -0.120 0.000 2.383 379 S HA -0.183 4.287 4.470 -0.001 0.000 0.229 379 S C 1.541 175.997 174.600 -0.239 0.000 1.030 379 S CA 2.321 60.351 58.200 -0.284 0.000 1.002 379 S CB -0.338 62.845 63.200 -0.028 0.000 0.829 379 S HN 0.788 nan 8.310 nan 0.000 0.467 380 E N 0.090 120.152 120.200 -0.230 0.000 2.150 380 E HA -0.007 4.343 4.350 -0.001 0.000 0.193 380 E C 1.554 178.004 176.600 -0.250 0.000 0.985 380 E CA 0.868 57.127 56.400 -0.236 0.000 0.814 380 E CB -0.319 29.224 29.700 -0.262 0.000 0.752 380 E HN 0.592 nan 8.360 nan 0.000 0.466 381 F N 1.729 121.239 119.950 -0.732 0.000 2.146 381 F HA -0.138 4.389 4.527 -0.001 0.000 0.298 381 F C 1.823 177.389 175.800 -0.390 0.000 1.096 381 F CA 1.510 59.157 58.000 -0.590 0.000 1.275 381 F CB -0.650 37.910 39.000 -0.734 0.000 1.008 381 F HN 0.005 nan 8.300 nan 0.000 0.480 382 N N -1.053 117.184 118.700 -0.771 0.000 2.043 382 N HA -0.215 4.524 4.740 -0.001 0.000 0.193 382 N C 1.690 176.773 175.510 -0.712 0.000 1.037 382 N CA 2.151 54.284 53.050 -1.529 0.000 0.851 382 N CB -0.168 37.578 38.487 -1.236 0.000 1.027 382 N HN 0.242 nan 8.380 nan 0.000 0.422 383 T N 1.521 115.804 114.554 -0.451 0.000 2.684 383 T HA -0.167 4.182 4.350 -0.001 0.000 0.267 383 T C 1.851 176.482 174.700 -0.116 0.000 1.036 383 T CA 1.631 63.497 62.100 -0.390 0.000 1.148 383 T CB -0.408 68.332 68.868 -0.213 0.000 0.863 383 T HN 0.377 nan 8.240 nan 0.000 0.436 384 L N -1.273 119.939 121.223 -0.018 0.000 2.275 384 L HA 0.152 4.492 4.340 -0.001 0.000 0.215 384 L C 1.897 178.846 176.870 0.133 0.000 1.119 384 L CA 1.408 56.327 54.840 0.131 0.000 0.790 384 L CB -1.130 40.996 42.059 0.112 0.000 0.919 384 L HN 0.179 nan 8.230 nan 0.000 0.443 385 Y N -0.044 120.115 120.300 -0.235 0.000 2.471 385 Y HA 0.145 4.695 4.550 -0.001 0.000 0.286 385 Y C 0.822 176.376 175.900 -0.576 0.000 1.188 385 Y CA -0.228 57.435 58.100 -0.729 0.000 1.286 385 Y CB -0.128 37.891 38.460 -0.735 0.000 1.072 385 Y HN 0.285 nan 8.280 nan 0.000 0.517 386 H N 0.114 119.111 119.070 -0.122 0.000 3.195 386 H HA -0.075 4.481 4.556 -0.001 0.000 0.241 386 H C -0.547 174.856 175.328 0.124 0.000 1.823 386 H CA -0.246 55.732 56.048 -0.116 0.000 1.466 386 H CB -0.387 29.329 29.762 -0.075 0.000 1.819 386 H HN 0.386 nan 8.280 nan 0.000 0.575 387 W N 1.669 122.950 121.300 -0.032 0.000 2.136 387 W HA 0.110 4.770 4.660 -0.000 0.000 0.436 387 W C 0.790 177.342 176.519 0.055 0.000 0.624 387 W CA -0.870 56.531 57.345 0.092 0.000 2.276 387 W CB -1.272 28.318 29.460 0.218 0.000 1.277 387 W HN 0.646 nan 8.180 nan 0.000 0.595 388 H N 0.461 119.786 119.070 0.425 0.000 2.456 388 H HA -0.103 4.453 4.556 -0.001 0.000 0.296 388 H C -0.507 174.979 175.328 0.262 0.000 1.079 388 H CA 1.290 57.525 56.048 0.311 0.000 1.322 388 H CB -0.970 28.957 29.762 0.275 0.000 1.388 388 H HN 0.023 nan 8.280 nan 0.000 0.538 389 P HA -0.130 nan 4.420 nan 0.000 0.225 389 P C 1.060 178.483 177.300 0.205 0.000 1.148 389 P CA 0.968 64.197 63.100 0.215 0.000 0.779 389 P CB 0.018 31.792 31.700 0.123 0.000 0.780 390 L N -1.660 119.704 121.223 0.234 0.000 2.127 390 L HA -0.141 4.199 4.340 -0.001 0.000 0.211 390 L C 1.207 178.197 176.870 0.200 0.000 1.089 390 L CA 0.685 55.653 54.840 0.214 0.000 0.757 390 L CB -0.844 41.379 42.059 0.273 0.000 0.899 390 L HN 0.012 nan 8.230 nan 0.000 0.434 391 L N 1.310 122.667 121.223 0.224 0.000 2.453 391 L HA 0.099 4.439 4.340 -0.001 0.000 0.272 391 L C -1.787 175.147 176.870 0.107 0.000 1.182 391 L CA -1.491 53.448 54.840 0.166 0.000 0.858 391 L CB -0.020 42.269 42.059 0.384 0.000 1.120 391 L HN -0.093 nan 8.230 nan 0.000 0.474 392 P HA 0.125 nan 4.420 nan 0.000 0.282 392 P C -0.453 176.639 177.300 -0.347 0.000 1.287 392 P CA -0.456 62.371 63.100 -0.455 0.000 0.792 392 P CB 1.030 32.316 31.700 -0.690 0.000 1.163 393 D N -1.257 118.920 120.400 -0.371 0.000 2.183 393 D HA -0.014 4.625 4.640 -0.001 0.000 0.203 393 D C 0.857 177.054 176.300 -0.171 0.000 0.969 393 D CA 1.609 55.540 54.000 -0.114 0.000 0.842 393 D CB -0.149 40.575 40.800 -0.127 0.000 0.957 393 D HN 0.535 nan 8.370 nan 0.000 0.484 394 T N -2.550 111.743 114.554 -0.435 0.000 2.883 394 T HA 0.579 4.929 4.350 -0.001 0.000 0.301 394 T C -0.841 173.444 174.700 -0.692 0.000 1.158 394 T CA -0.922 60.923 62.100 -0.426 0.000 1.007 394 T CB 1.317 70.072 68.868 -0.189 0.000 1.186 394 T HN -0.204 nan 8.240 nan 0.000 0.499 395 F N 2.023 121.774 119.950 -0.331 0.000 2.361 395 F HA 0.456 4.982 4.527 -0.001 0.000 0.364 395 F C 0.354 176.050 175.800 -0.173 0.000 1.120 395 F CA -0.998 56.767 58.000 -0.391 0.000 1.102 395 F CB 1.046 39.465 39.000 -0.969 0.000 1.183 395 F HN 0.424 nan 8.300 nan 0.000 0.476 396 N N 5.627 124.316 118.700 -0.019 0.000 2.462 396 N HA 0.408 5.148 4.740 -0.001 0.000 0.242 396 N C -0.716 174.762 175.510 -0.053 0.000 1.010 396 N CA -0.132 52.883 53.050 -0.058 0.000 0.939 396 N CB 1.221 39.655 38.487 -0.088 0.000 1.127 396 N HN 0.488 nan 8.380 nan 0.000 0.509 397 I N 0.906 121.397 120.570 -0.132 0.000 2.418 397 I HA 0.181 4.351 4.170 -0.001 0.000 0.287 397 I C 0.981 176.908 176.117 -0.316 0.000 1.008 397 I CA -0.485 60.625 61.300 -0.317 0.000 1.104 397 I CB 1.363 39.029 38.000 -0.557 0.000 1.264 397 I HN 0.543 nan 8.210 nan 0.000 0.438 398 E N 3.920 124.001 120.200 -0.198 0.000 3.213 398 E HA -0.337 4.013 4.350 -0.001 0.000 0.374 398 E C -0.014 176.558 176.600 -0.047 0.000 1.500 398 E CA 2.273 58.636 56.400 -0.062 0.000 1.497 398 E CB -0.407 29.328 29.700 0.058 0.000 1.692 398 E HN 0.958 nan 8.360 nan 0.000 0.494 399 D N 0.589 120.984 120.400 -0.009 0.000 2.424 399 D HA 0.092 4.732 4.640 -0.001 0.000 0.220 399 D C -0.222 176.033 176.300 -0.074 0.000 1.150 399 D CA 0.081 54.062 54.000 -0.031 0.000 0.831 399 D CB 0.261 41.058 40.800 -0.005 0.000 0.981 399 D HN 0.116 nan 8.370 nan 0.000 0.500 400 Q N 0.574 120.294 119.800 -0.133 0.000 2.266 400 Q HA 0.411 4.751 4.340 -0.001 0.000 0.261 400 Q C -0.487 175.285 176.000 -0.379 0.000 0.985 400 Q CA -0.211 55.408 55.803 -0.307 0.000 0.873 400 Q CB 2.126 30.576 28.738 -0.480 0.000 1.306 400 Q HN 0.283 nan 8.270 nan 0.000 0.447 401 E N 2.250 122.222 120.200 -0.381 0.000 2.255 401 E HA 0.243 4.592 4.350 -0.001 0.000 0.245 401 E C -1.088 175.387 176.600 -0.208 0.000 0.909 401 E CA -0.305 55.946 56.400 -0.248 0.000 0.747 401 E CB 0.783 30.394 29.700 -0.148 0.000 1.215 401 E HN 0.373 nan 8.360 nan 0.000 0.424 402 Y N 1.315 121.643 120.300 0.047 0.000 2.335 402 Y HA 0.067 4.617 4.550 -0.001 0.000 0.331 402 Y C 1.298 177.277 175.900 0.132 0.000 1.094 402 Y CA -0.541 57.635 58.100 0.127 0.000 1.253 402 Y CB 0.919 39.510 38.460 0.219 0.000 1.203 402 Y HN 0.338 nan 8.280 nan 0.000 0.508 403 S N 1.599 117.495 115.700 0.327 0.000 2.624 403 S HA 0.149 4.618 4.470 -0.001 0.000 0.263 403 S C 0.875 175.728 174.600 0.421 0.000 1.287 403 S CA -0.553 57.833 58.200 0.310 0.000 0.990 403 S CB 0.345 63.706 63.200 0.268 0.000 0.950 403 S HN 0.560 nan 8.310 nan 0.000 0.561 404 F N 0.945 121.110 119.950 0.358 0.000 2.120 404 F HA -0.055 4.472 4.527 -0.001 0.000 0.300 404 F C 2.687 178.674 175.800 0.312 0.000 1.095 404 F CA 1.846 60.094 58.000 0.412 0.000 1.249 404 F CB -0.276 38.910 39.000 0.310 0.000 0.995 404 F HN 0.582 nan 8.300 nan 0.000 0.480 405 K N 0.591 121.246 120.400 0.424 0.000 2.097 405 K HA -0.189 4.130 4.320 -0.001 0.000 0.206 405 K C 1.903 178.658 176.600 0.259 0.000 1.049 405 K CA 1.562 58.025 56.287 0.294 0.000 0.933 405 K CB -0.283 32.348 32.500 0.218 0.000 0.717 405 K HN 0.393 nan 8.250 nan 0.000 0.442 406 Q N -1.156 118.815 119.800 0.286 0.000 2.172 406 Q HA -0.100 4.239 4.340 -0.001 0.000 0.200 406 Q C 1.857 177.986 176.000 0.215 0.000 0.964 406 Q CA 1.061 57.022 55.803 0.263 0.000 0.855 406 Q CB -0.060 28.898 28.738 0.368 0.000 0.918 406 Q HN 0.192 nan 8.270 nan 0.000 0.444 407 F N 0.750 120.729 119.950 0.048 0.000 2.219 407 F HA 0.033 4.559 4.527 -0.001 0.000 0.294 407 F C 0.426 176.152 175.800 -0.124 0.000 1.086 407 F CA 0.123 58.039 58.000 -0.141 0.000 1.330 407 F CB 0.125 38.940 39.000 -0.309 0.000 1.047 407 F HN -0.062 nan 8.300 nan 0.000 0.495 408 L N 0.780 122.023 121.223 0.033 0.000 2.490 408 L HA -0.035 4.304 4.340 -0.001 0.000 0.274 408 L C -0.256 176.615 176.870 0.002 0.000 1.201 408 L CA 0.316 55.112 54.840 -0.073 0.000 0.869 408 L CB -0.928 41.191 42.059 0.101 0.000 1.123 408 L HN 0.306 nan 8.230 nan 0.000 0.484 409 Y N 0.984 121.246 120.300 -0.063 0.000 3.491 409 Y HA -0.291 4.259 4.550 -0.001 0.000 0.215 409 Y C 0.678 176.549 175.900 -0.047 0.000 1.219 409 Y CA 0.585 58.675 58.100 -0.016 0.000 1.485 409 Y CB -1.520 36.966 38.460 0.043 0.000 1.450 409 Y HN 0.691 nan 8.280 nan 0.000 0.603 410 N N 0.735 119.391 118.700 -0.074 0.000 2.841 410 N HA 0.212 4.952 4.740 -0.001 0.000 0.257 410 N C 0.467 175.855 175.510 -0.204 0.000 1.396 410 N CA -0.239 52.745 53.050 -0.111 0.000 0.823 410 N CB 0.166 38.586 38.487 -0.111 0.000 1.162 410 N HN 0.166 nan 8.380 nan 0.000 0.503 411 N N -0.175 118.402 118.700 -0.206 0.000 2.453 411 N HA -0.123 4.616 4.740 -0.001 0.000 0.183 411 N C 1.610 176.978 175.510 -0.236 0.000 1.041 411 N CA 0.652 53.547 53.050 -0.258 0.000 0.900 411 N CB 0.128 38.344 38.487 -0.452 0.000 0.961 411 N HN 0.561 nan 8.380 nan 0.000 0.443 412 S N 0.509 116.090 115.700 -0.199 0.000 2.419 412 S HA -0.031 4.439 4.470 -0.001 0.000 0.233 412 S C 1.971 176.522 174.600 -0.081 0.000 1.016 412 S CA 0.402 58.516 58.200 -0.143 0.000 0.974 412 S CB -0.467 62.671 63.200 -0.104 0.000 0.786 412 S HN 0.250 nan 8.310 nan 0.000 0.492 413 I N 0.671 121.201 120.570 -0.066 0.000 2.226 413 I HA -0.131 4.038 4.170 -0.001 0.000 0.245 413 I C 2.509 178.765 176.117 0.233 0.000 1.100 413 I CA 1.036 62.382 61.300 0.075 0.000 1.374 413 I CB -0.427 37.532 38.000 -0.067 0.000 1.057 413 I HN 0.309 nan 8.210 nan 0.000 0.413 414 L N 0.793 121.997 121.223 -0.031 0.000 2.017 414 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 414 L C 2.289 179.050 176.870 -0.182 0.000 1.073 414 L CA 1.856 56.460 54.840 -0.394 0.000 0.745 414 L CB -0.517 41.249 42.059 -0.487 0.000 0.894 414 L HN 0.135 nan 8.230 nan 0.000 0.432 415 L N -0.813 120.312 121.223 -0.162 0.000 2.093 415 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 415 L C 2.533 179.378 176.870 -0.042 0.000 1.085 415 L CA 1.375 56.128 54.840 -0.146 0.000 0.755 415 L CB -0.572 41.371 42.059 -0.193 0.000 0.904 415 L HN 0.355 nan 8.230 nan 0.000 0.435 416 E N -0.224 119.949 120.200 -0.045 0.000 2.051 416 E HA -0.226 4.124 4.350 -0.001 0.000 0.192 416 E C 2.174 178.704 176.600 -0.116 0.000 0.991 416 E CA 1.592 57.929 56.400 -0.104 0.000 0.799 416 E CB 0.013 29.608 29.700 -0.175 0.000 0.748 416 E HN 0.449 nan 8.360 nan 0.000 0.449 417 H N -0.786 118.376 119.070 0.154 0.000 2.431 417 H HA 0.264 4.819 4.556 -0.001 0.000 0.295 417 H C 1.074 176.486 175.328 0.140 0.000 1.038 417 H CA 1.006 57.168 56.048 0.190 0.000 1.360 417 H CB 0.181 30.142 29.762 0.331 0.000 1.433 417 H HN 0.291 nan 8.280 nan 0.000 0.536 418 G N 0.354 109.271 108.800 0.196 0.000 2.758 418 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.686 418 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.686 418 G C 0.699 175.622 174.900 0.040 0.000 1.389 418 G CA -0.067 45.093 45.100 0.100 0.000 0.845 418 G HN 0.251 nan 8.290 nan 0.000 0.572 419 L N 0.465 121.653 121.223 -0.057 0.000 2.083 419 L HA -0.107 4.232 4.340 -0.001 0.000 0.209 419 L C 3.286 180.136 176.870 -0.034 0.000 1.083 419 L CA 2.314 57.086 54.840 -0.113 0.000 0.752 419 L CB -0.830 41.122 42.059 -0.179 0.000 0.899 419 L HN 0.829 nan 8.230 nan 0.000 0.433 420 T N -1.204 113.339 114.554 -0.020 0.000 2.652 420 T HA -0.233 4.117 4.350 -0.001 0.000 0.267 420 T C 1.918 176.632 174.700 0.022 0.000 1.039 420 T CA 1.157 63.252 62.100 -0.009 0.000 1.153 420 T CB -0.160 68.706 68.868 -0.004 0.000 0.863 420 T HN 0.271 nan 8.240 nan 0.000 0.428 421 Q N -0.228 119.613 119.800 0.069 0.000 2.119 421 Q HA 0.007 4.347 4.340 -0.001 0.000 0.201 421 Q C 2.151 178.149 176.000 -0.003 0.000 0.972 421 Q CA 1.086 56.929 55.803 0.067 0.000 0.847 421 Q CB -0.462 28.363 28.738 0.145 0.000 0.903 421 Q HN 0.481 nan 8.270 nan 0.000 0.433 422 F N 0.128 119.937 119.950 -0.235 0.000 2.095 422 F HA -0.221 4.306 4.527 -0.001 0.000 0.298 422 F C 2.465 177.960 175.800 -0.508 0.000 1.104 422 F CA 0.928 58.612 58.000 -0.527 0.000 1.232 422 F CB -0.665 38.019 39.000 -0.527 0.000 0.987 422 F HN -0.152 nan 8.300 nan 0.000 0.475 423 V N -0.256 119.610 119.914 -0.079 0.000 2.295 423 V HA -0.279 3.841 4.120 -0.001 0.000 0.246 423 V C 2.168 178.267 176.094 0.008 0.000 1.049 423 V CA 2.076 64.355 62.300 -0.035 0.000 1.024 423 V CB -0.636 31.155 31.823 -0.054 0.000 0.648 423 V HN 0.305 nan 8.190 nan 0.000 0.447 424 E N 0.082 120.282 120.200 0.000 0.000 2.085 424 E HA -0.195 4.155 4.350 -0.001 0.000 0.194 424 E C 2.412 179.037 176.600 0.042 0.000 0.994 424 E CA 1.732 58.155 56.400 0.038 0.000 0.801 424 E CB -0.214 29.504 29.700 0.030 0.000 0.743 424 E HN 0.522 nan 8.360 nan 0.000 0.453 425 S N 0.250 115.935 115.700 -0.025 0.000 2.357 425 S HA -0.079 4.391 4.470 -0.001 0.000 0.221 425 S C 1.631 176.333 174.600 0.169 0.000 1.031 425 S CA 0.702 58.897 58.200 -0.009 0.000 0.982 425 S CB -0.189 62.913 63.200 -0.164 0.000 0.853 425 S HN 0.177 nan 8.310 nan 0.000 0.458 426 F N 2.398 122.360 119.950 0.019 0.000 2.216 426 F HA -0.038 4.489 4.527 -0.001 0.000 0.300 426 F C 2.698 178.570 175.800 0.119 0.000 1.085 426 F CA 0.622 58.683 58.000 0.102 0.000 1.326 426 F CB -1.796 37.314 39.000 0.184 0.000 1.027 426 F HN 0.166 nan 8.300 nan 0.000 0.497 427 T N -0.392 114.331 114.554 0.280 0.000 2.867 427 T HA -0.136 4.214 4.350 -0.001 0.000 0.268 427 T C 2.101 176.907 174.700 0.176 0.000 1.057 427 T CA 1.060 63.276 62.100 0.194 0.000 1.136 427 T CB -0.101 68.851 68.868 0.139 0.000 0.874 427 T HN 0.226 nan 8.240 nan 0.000 0.466 428 R N 0.606 121.199 120.500 0.155 0.000 2.210 428 R HA 0.156 4.496 4.340 -0.001 0.000 0.203 428 R C 1.313 177.667 176.300 0.091 0.000 1.010 428 R CA 0.152 56.318 56.100 0.110 0.000 1.008 428 R CB 0.118 30.464 30.300 0.078 0.000 0.923 428 R HN 0.398 nan 8.270 nan 0.000 0.469 429 Q N 1.730 121.595 119.800 0.109 0.000 2.295 429 Q HA 0.135 4.475 4.340 -0.001 0.000 0.259 429 Q C -0.748 175.290 176.000 0.064 0.000 0.976 429 Q CA -0.381 55.459 55.803 0.062 0.000 0.923 429 Q CB 0.824 29.593 28.738 0.052 0.000 1.185 429 Q HN -0.013 nan 8.270 nan 0.000 0.410 430 I N 3.670 124.276 120.570 0.061 0.000 2.634 430 I HA 0.254 4.423 4.170 -0.001 0.000 0.284 430 I C -0.404 175.805 176.117 0.154 0.000 1.124 430 I CA 0.476 61.840 61.300 0.107 0.000 1.417 430 I CB 0.913 38.996 38.000 0.138 0.000 1.396 430 I HN 0.770 nan 8.210 nan 0.000 0.571 431 A N 5.328 128.243 122.820 0.158 0.000 2.252 431 A HA 0.762 5.081 4.320 -0.001 0.000 0.305 431 A C 0.271 178.000 177.584 0.241 0.000 1.097 431 A CA -0.103 52.052 52.037 0.196 0.000 0.849 431 A CB 0.076 19.166 19.000 0.150 0.000 1.142 431 A HN 0.910 nan 8.150 nan 0.000 0.499 432 G N -0.372 108.573 108.800 0.242 0.000 2.476 432 G HA2 0.467 4.426 3.960 -0.001 0.000 0.269 432 G HA3 0.467 4.426 3.960 -0.001 0.000 0.269 432 G C 0.126 174.950 174.900 -0.126 0.000 1.195 432 G CA -0.606 44.466 45.100 -0.046 0.000 0.843 432 G HN 0.852 nan 8.290 nan 0.000 0.545 433 R N 0.875 121.228 120.500 -0.244 0.000 2.491 433 R HA 0.218 4.557 4.340 -0.001 0.000 0.283 433 R C 0.840 177.051 176.300 -0.148 0.000 1.072 433 R CA -0.454 55.513 56.100 -0.222 0.000 1.048 433 R CB 0.884 31.044 30.300 -0.233 0.000 0.983 433 R HN 0.266 nan 8.270 nan 0.000 0.450 434 V N 3.599 123.419 119.914 -0.157 0.000 2.492 434 V HA 0.066 4.186 4.120 -0.001 0.000 0.241 434 V C 1.033 177.107 176.094 -0.034 0.000 1.041 434 V CA 1.475 63.741 62.300 -0.057 0.000 1.057 434 V CB -0.326 31.471 31.823 -0.042 0.000 0.711 434 V HN 0.901 nan 8.190 nan 0.000 0.468 435 A N -0.457 122.344 122.820 -0.031 0.000 2.280 435 A HA 0.529 4.849 4.320 -0.001 0.000 0.268 435 A C 1.524 179.066 177.584 -0.070 0.000 1.111 435 A CA 0.555 52.571 52.037 -0.035 0.000 0.814 435 A CB -0.216 18.781 19.000 -0.006 0.000 1.093 435 A HN 1.386 nan 8.150 nan 0.000 0.498 436 G N -1.914 106.846 108.800 -0.066 0.000 2.175 436 G HA2 0.336 4.295 3.960 -0.001 0.000 0.244 436 G HA3 0.336 4.295 3.960 -0.001 0.000 0.244 436 G C 1.626 176.487 174.900 -0.065 0.000 0.982 436 G CA 0.646 45.703 45.100 -0.071 0.000 0.641 436 G HN 3.077 nan 8.290 nan 0.000 0.527 437 G N -0.714 108.049 108.800 -0.061 0.000 2.758 437 G HA2 0.271 4.231 3.960 -0.001 0.000 0.686 437 G HA3 0.271 4.231 3.960 -0.001 0.000 0.686 437 G C 0.247 175.122 174.900 -0.041 0.000 1.389 437 G CA 0.331 45.401 45.100 -0.049 0.000 0.845 437 G HN 1.670 nan 8.290 nan 0.000 0.572 438 R N -0.887 119.598 120.500 -0.024 0.000 3.251 438 R HA -0.220 4.120 4.340 -0.001 0.000 0.249 438 R C 0.522 176.815 176.300 -0.012 0.000 0.949 438 R CA 1.077 57.169 56.100 -0.013 0.000 0.645 438 R CB -1.187 29.103 30.300 -0.017 0.000 1.065 438 R HN 0.715 nan 8.270 nan 0.000 0.452 439 N N -0.739 117.961 118.700 0.000 0.000 2.217 439 N HA 0.095 4.835 4.740 -0.001 0.000 0.239 439 N C -0.924 174.629 175.510 0.072 0.000 1.330 439 N CA -0.034 53.023 53.050 0.012 0.000 0.838 439 N CB 1.176 39.635 38.487 -0.047 0.000 1.287 439 N HN 0.054 nan 8.380 nan 0.000 0.498 440 V N 2.865 122.828 119.914 0.081 0.000 2.455 440 V HA 0.349 4.469 4.120 -0.001 0.000 0.273 440 V C -1.996 174.149 176.094 0.086 0.000 1.045 440 V CA -1.355 61.017 62.300 0.120 0.000 0.976 440 V CB 0.976 32.874 31.823 0.124 0.000 0.993 440 V HN 0.116 nan 8.190 nan 0.000 0.475 441 P HA 0.189 nan 4.420 nan 0.000 0.268 441 P C 1.052 178.306 177.300 -0.077 0.000 1.204 441 P CA 0.068 63.178 63.100 0.018 0.000 0.768 441 P CB 0.678 32.382 31.700 0.006 0.000 0.842 442 I N 2.041 122.565 120.570 -0.077 0.000 2.361 442 I HA -0.287 3.883 4.170 -0.001 0.000 0.251 442 I C 2.198 178.218 176.117 -0.162 0.000 1.133 442 I CA 1.580 62.830 61.300 -0.084 0.000 1.413 442 I CB -0.564 37.410 38.000 -0.044 0.000 1.073 442 I HN 0.387 nan 8.210 nan 0.000 0.424 443 A N 0.598 123.227 122.820 -0.318 0.000 1.986 443 A HA -0.172 4.148 4.320 -0.001 0.000 0.220 443 A C 1.905 179.267 177.584 -0.369 0.000 1.171 443 A CA 2.051 53.810 52.037 -0.463 0.000 0.640 443 A CB -0.759 17.566 19.000 -1.124 0.000 0.811 443 A HN 0.416 nan 8.150 nan 0.000 0.451 444 V N -1.641 118.075 119.914 -0.329 0.000 3.043 444 V HA 0.152 4.272 4.120 -0.001 0.000 0.357 444 V C 1.390 177.406 176.094 -0.130 0.000 1.372 444 V CA 0.467 62.643 62.300 -0.208 0.000 1.214 444 V CB -0.825 30.864 31.823 -0.223 0.000 1.224 444 V HN 0.722 nan 8.190 nan 0.000 0.507 445 Q N 1.670 121.416 119.800 -0.090 0.000 2.124 445 Q HA -0.096 4.244 4.340 -0.001 0.000 0.202 445 Q C 2.018 178.006 176.000 -0.021 0.000 0.977 445 Q CA 2.290 58.072 55.803 -0.034 0.000 0.850 445 Q CB -0.473 28.250 28.738 -0.025 0.000 0.901 445 Q HN 0.620 nan 8.270 nan 0.000 0.429 446 A N 1.027 123.826 122.820 -0.035 0.000 1.969 446 A HA -0.062 4.258 4.320 -0.001 0.000 0.218 446 A C 2.307 179.875 177.584 -0.025 0.000 1.169 446 A CA 1.350 53.373 52.037 -0.023 0.000 0.635 446 A CB -0.562 18.424 19.000 -0.022 0.000 0.810 446 A HN 0.264 nan 8.150 nan 0.000 0.445 447 V N -0.215 119.665 119.914 -0.056 0.000 2.358 447 V HA -0.193 3.927 4.120 -0.001 0.000 0.246 447 V C 3.017 179.119 176.094 0.013 0.000 1.047 447 V CA 1.746 64.010 62.300 -0.059 0.000 1.035 447 V CB -1.305 30.385 31.823 -0.222 0.000 0.658 447 V HN 0.582 nan 8.190 nan 0.000 0.452 448 A N -0.018 122.826 122.820 0.040 0.000 1.902 448 A HA -0.271 4.048 4.320 -0.001 0.000 0.217 448 A C 2.358 180.021 177.584 0.132 0.000 1.181 448 A CA 2.250 54.401 52.037 0.190 0.000 0.623 448 A CB -0.505 18.624 19.000 0.214 0.000 0.818 448 A HN 0.511 nan 8.150 nan 0.000 0.443 449 K N -0.382 120.057 120.400 0.066 0.000 2.057 449 K HA -0.086 4.234 4.320 -0.001 0.000 0.207 449 K C 2.136 178.735 176.600 -0.003 0.000 1.049 449 K CA 1.158 57.469 56.287 0.040 0.000 0.931 449 K CB -0.317 32.194 32.500 0.020 0.000 0.714 449 K HN 0.378 nan 8.250 nan 0.000 0.440 450 A N 0.532 123.339 122.820 -0.022 0.000 1.933 450 A HA -0.141 4.179 4.320 -0.001 0.000 0.218 450 A C 2.121 179.624 177.584 -0.135 0.000 1.175 450 A CA 2.021 54.026 52.037 -0.053 0.000 0.628 450 A CB -0.547 18.436 19.000 -0.029 0.000 0.814 450 A HN 0.351 nan 8.150 nan 0.000 0.444 451 S N -0.113 115.457 115.700 -0.218 0.000 2.368 451 S HA -0.122 4.348 4.470 -0.001 0.000 0.225 451 S C 1.794 176.135 174.600 -0.430 0.000 1.030 451 S CA 1.517 59.387 58.200 -0.549 0.000 0.999 451 S CB -0.482 62.067 63.200 -1.086 0.000 0.844 451 S HN 0.571 nan 8.310 nan 0.000 0.459 452 I N 1.729 122.202 120.570 -0.160 0.000 2.163 452 I HA -0.183 3.986 4.170 -0.001 0.000 0.240 452 I C 2.069 178.134 176.117 -0.086 0.000 1.081 452 I CA 1.206 62.490 61.300 -0.027 0.000 1.353 452 I CB -0.470 37.586 38.000 0.093 0.000 1.054 452 I HN 0.153 nan 8.210 nan 0.000 0.407 453 D N 0.557 120.912 120.400 -0.074 0.000 2.117 453 D HA -0.191 4.449 4.640 -0.001 0.000 0.197 453 D C 2.265 178.505 176.300 -0.101 0.000 0.987 453 D CA 1.270 55.233 54.000 -0.063 0.000 0.829 453 D CB -0.259 40.517 40.800 -0.040 0.000 0.961 453 D HN 0.445 nan 8.370 nan 0.000 0.460 454 Q N 0.183 119.892 119.800 -0.153 0.000 2.123 454 Q HA -0.031 4.308 4.340 -0.001 0.000 0.199 454 Q C 2.292 178.112 176.000 -0.301 0.000 0.966 454 Q CA 0.849 56.547 55.803 -0.174 0.000 0.845 454 Q CB 0.067 28.707 28.738 -0.163 0.000 0.907 454 Q HN 0.095 nan 8.270 nan 0.000 0.439 455 S N 0.826 116.241 115.700 -0.475 0.000 2.374 455 S HA -0.183 4.287 4.470 -0.001 0.000 0.227 455 S C 1.786 176.138 174.600 -0.413 0.000 1.037 455 S CA 1.268 58.966 58.200 -0.836 0.000 1.024 455 S CB -0.160 62.593 63.200 -0.745 0.000 0.861 455 S HN 0.332 nan 8.310 nan 0.000 0.456 456 R N 0.862 121.256 120.500 -0.178 0.000 2.075 456 R HA -0.021 4.319 4.340 -0.001 0.000 0.232 456 R C 2.483 178.776 176.300 -0.012 0.000 1.126 456 R CA 1.213 57.289 56.100 -0.039 0.000 0.963 456 R CB -0.280 30.015 30.300 -0.009 0.000 0.858 456 R HN 0.501 nan 8.270 nan 0.000 0.435 457 E N 0.900 121.080 120.200 -0.034 0.000 2.085 457 E HA -0.189 4.160 4.350 -0.001 0.000 0.194 457 E C 1.540 178.165 176.600 0.040 0.000 0.994 457 E CA 1.252 57.657 56.400 0.009 0.000 0.801 457 E CB 0.079 29.781 29.700 0.004 0.000 0.743 457 E HN 0.272 nan 8.360 nan 0.000 0.453 458 M N 0.288 119.898 119.600 0.017 0.000 2.628 458 M HA 0.026 4.506 4.480 -0.001 0.000 0.232 458 M C -0.318 176.108 176.300 0.210 0.000 1.128 458 M CA 0.262 55.627 55.300 0.110 0.000 1.040 458 M CB 0.510 33.187 32.600 0.128 0.000 1.608 458 M HN -0.147 nan 8.290 nan 0.000 0.507 459 K N -0.113 120.384 120.400 0.161 0.000 3.150 459 K HA -0.189 4.131 4.320 -0.001 0.000 0.267 459 K C -1.259 175.509 176.600 0.281 0.000 1.028 459 K CA 0.673 57.064 56.287 0.174 0.000 0.753 459 K CB -2.610 29.960 32.500 0.117 0.000 1.288 459 K HN 0.297 nan 8.250 nan 0.000 0.473 460 Y N 1.244 121.599 120.300 0.093 0.000 2.610 460 Y HA -0.007 4.543 4.550 -0.001 0.000 0.332 460 Y C 1.855 177.864 175.900 0.182 0.000 1.201 460 Y CA -0.077 58.127 58.100 0.172 0.000 1.465 460 Y CB 0.463 39.017 38.460 0.157 0.000 1.283 460 Y HN 0.176 nan 8.280 nan 0.000 0.563 461 Q N 1.084 121.058 119.800 0.290 0.000 2.584 461 Q HA 0.197 4.537 4.340 -0.001 0.000 0.218 461 Q C 0.352 176.527 176.000 0.293 0.000 1.079 461 Q CA -0.227 55.664 55.803 0.147 0.000 1.008 461 Q CB 0.428 29.084 28.738 -0.136 0.000 1.267 461 Q HN 0.790 nan 8.270 nan 0.000 0.586 462 S N -0.208 115.594 115.700 0.170 0.000 2.614 462 S HA 0.029 4.499 4.470 -0.001 0.000 0.265 462 S C 0.960 175.718 174.600 0.264 0.000 1.303 462 S CA -0.655 57.659 58.200 0.191 0.000 1.000 462 S CB 0.564 63.822 63.200 0.097 0.000 0.935 462 S HN 0.645 nan 8.310 nan 0.000 0.551 463 L N 1.496 122.839 121.223 0.200 0.000 1.997 463 L HA -0.190 4.149 4.340 -0.001 0.000 0.216 463 L C 1.980 178.946 176.870 0.161 0.000 1.074 463 L CA 2.180 57.132 54.840 0.187 0.000 0.763 463 L CB -1.410 40.709 42.059 0.100 0.000 0.890 463 L HN 0.767 nan 8.230 nan 0.000 0.434 464 N N -0.472 118.276 118.700 0.080 0.000 2.244 464 N HA -0.139 4.601 4.740 -0.001 0.000 0.183 464 N C 1.738 177.248 175.510 0.001 0.000 1.016 464 N CA 1.115 54.178 53.050 0.023 0.000 0.866 464 N CB -0.223 38.255 38.487 -0.015 0.000 0.980 464 N HN 0.472 nan 8.380 nan 0.000 0.430 465 E N 0.065 120.259 120.200 -0.011 0.000 2.077 465 E HA -0.134 4.215 4.350 -0.001 0.000 0.193 465 E C 1.758 178.282 176.600 -0.127 0.000 0.989 465 E CA 0.880 57.215 56.400 -0.108 0.000 0.800 465 E CB -0.444 29.146 29.700 -0.183 0.000 0.746 465 E HN 0.491 nan 8.360 nan 0.000 0.452 466 Y N 1.035 121.369 120.300 0.055 0.000 2.242 466 Y HA -0.097 4.453 4.550 -0.001 0.000 0.291 466 Y C 2.576 178.579 175.900 0.172 0.000 1.137 466 Y CA 1.148 59.330 58.100 0.137 0.000 1.181 466 Y CB -0.149 38.388 38.460 0.129 0.000 0.989 466 Y HN -0.025 nan 8.280 nan 0.000 0.527 467 R N 0.278 120.899 120.500 0.202 0.000 2.080 467 R HA -0.186 4.153 4.340 -0.001 0.000 0.236 467 R C 2.178 178.519 176.300 0.068 0.000 1.137 467 R CA 1.791 57.949 56.100 0.097 0.000 0.943 467 R CB -0.271 30.008 30.300 -0.035 0.000 0.846 467 R HN 0.302 nan 8.270 nan 0.000 0.431 468 K N 0.021 120.422 120.400 0.002 0.000 2.063 468 K HA -0.198 4.122 4.320 -0.001 0.000 0.208 468 K C 2.126 178.691 176.600 -0.058 0.000 1.048 468 K CA 1.354 57.612 56.287 -0.048 0.000 0.928 468 K CB -0.159 32.286 32.500 -0.092 0.000 0.713 468 K HN -0.053 nan 8.250 nan 0.000 0.442 469 R N 0.761 121.229 120.500 -0.054 0.000 2.127 469 R HA -0.116 4.224 4.340 -0.001 0.000 0.238 469 R C 0.852 176.937 176.300 -0.360 0.000 1.134 469 R CA 1.524 57.510 56.100 -0.190 0.000 0.975 469 R CB -0.273 29.925 30.300 -0.171 0.000 0.865 469 R HN 0.099 nan 8.270 nan 0.000 0.447 470 F N 0.245 120.174 119.950 -0.035 0.000 2.750 470 F HA 0.313 4.840 4.527 -0.001 0.000 0.297 470 F C 0.368 176.149 175.800 -0.033 0.000 1.138 470 F CA -0.039 57.935 58.000 -0.043 0.000 1.346 470 F CB 0.421 39.393 39.000 -0.047 0.000 0.965 470 F HN -0.081 nan 8.300 nan 0.000 0.514 471 S N 0.474 116.201 115.700 0.046 0.000 3.586 471 S HA -0.185 4.285 4.470 -0.001 0.000 0.309 471 S C -0.046 174.568 174.600 0.023 0.000 1.195 471 S CA 0.205 58.421 58.200 0.027 0.000 0.895 471 S CB -2.123 61.104 63.200 0.045 0.000 0.983 471 S HN 0.300 nan 8.310 nan 0.000 0.563 472 L N 0.125 121.356 121.223 0.013 0.000 2.344 472 L HA 0.544 4.883 4.340 -0.001 0.000 0.272 472 L C 0.458 177.274 176.870 -0.091 0.000 1.035 472 L CA -1.014 53.802 54.840 -0.040 0.000 0.807 472 L CB 0.797 42.825 42.059 -0.052 0.000 1.237 472 L HN -0.096 nan 8.230 nan 0.000 0.442 473 K N 2.454 122.776 120.400 -0.129 0.000 2.368 473 K HA 0.226 4.545 4.320 -0.001 0.000 0.282 473 K C -2.352 174.108 176.600 -0.233 0.000 1.035 473 K CA -1.207 54.992 56.287 -0.146 0.000 0.973 473 K CB 0.258 32.685 32.500 -0.122 0.000 0.957 473 K HN 0.192 nan 8.250 nan 0.000 0.474 474 P HA -0.084 nan 4.420 nan 0.000 0.266 474 P C -0.833 176.357 177.300 -0.183 0.000 1.195 474 P CA 0.174 63.171 63.100 -0.171 0.000 0.768 474 P CB 0.241 31.886 31.700 -0.093 0.000 0.838 475 Y N 0.578 120.830 120.300 -0.080 0.000 2.511 475 Y HA 0.027 4.576 4.550 -0.001 0.000 0.332 475 Y C 2.121 177.945 175.900 -0.128 0.000 1.177 475 Y CA 0.418 58.454 58.100 -0.106 0.000 1.422 475 Y CB 0.291 38.665 38.460 -0.144 0.000 1.271 475 Y HN 0.405 nan 8.280 nan 0.000 0.550 476 T N -2.540 112.060 114.554 0.076 0.000 3.040 476 T HA 0.208 4.558 4.350 -0.001 0.000 0.250 476 T C 0.170 174.848 174.700 -0.036 0.000 1.058 476 T CA 0.303 62.403 62.100 0.001 0.000 0.988 476 T CB -0.063 68.811 68.868 0.011 0.000 0.993 476 T HN 0.520 nan 8.240 nan 0.000 0.519 477 S N -0.976 114.682 115.700 -0.069 0.000 2.615 477 S HA 0.581 5.051 4.470 -0.001 0.000 0.269 477 S C -0.252 174.216 174.600 -0.219 0.000 1.161 477 S CA -0.937 57.200 58.200 -0.105 0.000 0.817 477 S CB 0.217 63.423 63.200 0.009 0.000 1.131 477 S HN -0.070 nan 8.310 nan 0.000 0.467 478 F N 1.075 120.993 119.950 -0.053 0.000 2.259 478 F HA 0.145 4.672 4.527 -0.001 0.000 0.298 478 F C 2.518 178.242 175.800 -0.127 0.000 1.088 478 F CA 1.184 59.122 58.000 -0.103 0.000 1.358 478 F CB -0.261 38.701 39.000 -0.062 0.000 1.040 478 F HN 0.682 nan 8.300 nan 0.000 0.505 479 E N 0.125 120.375 120.200 0.084 0.000 2.110 479 E HA -0.244 4.105 4.350 -0.001 0.000 0.193 479 E C 2.058 178.627 176.600 -0.052 0.000 0.988 479 E CA 1.151 57.559 56.400 0.014 0.000 0.804 479 E CB -0.241 29.476 29.700 0.028 0.000 0.745 479 E HN 0.513 nan 8.360 nan 0.000 0.458 480 E N 0.761 120.917 120.200 -0.074 0.000 2.077 480 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 480 E C 2.186 178.585 176.600 -0.334 0.000 0.989 480 E CA 0.559 56.908 56.400 -0.083 0.000 0.800 480 E CB 0.041 29.772 29.700 0.051 0.000 0.746 480 E HN 0.091 nan 8.360 nan 0.000 0.452 481 L N 0.843 121.680 121.223 -0.643 0.000 1.989 481 L HA -0.173 4.166 4.340 -0.001 0.000 0.211 481 L C 2.525 179.124 176.870 -0.451 0.000 1.071 481 L CA 2.797 57.031 54.840 -1.010 0.000 0.749 481 L CB -0.985 40.632 42.059 -0.736 0.000 0.890 481 L HN 0.288 nan 8.230 nan 0.000 0.431 482 T N -4.010 110.405 114.554 -0.231 0.000 3.054 482 T HA 0.258 4.608 4.350 -0.001 0.000 0.259 482 T C 1.501 176.148 174.700 -0.088 0.000 1.092 482 T CA 0.452 62.477 62.100 -0.125 0.000 1.121 482 T CB -0.377 68.452 68.868 -0.065 0.000 0.912 482 T HN 0.784 nan 8.240 nan 0.000 0.489 483 G N 1.356 110.108 108.800 -0.080 0.000 2.160 483 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.251 483 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.251 483 G C -0.204 174.679 174.900 -0.029 0.000 1.008 483 G CA 0.494 45.569 45.100 -0.042 0.000 0.724 483 G HN 0.968 nan 8.290 nan 0.000 0.514 484 E N -1.271 118.912 120.200 -0.027 0.000 2.437 484 E HA 0.404 4.754 4.350 -0.001 0.000 0.280 484 E C 0.380 176.974 176.600 -0.010 0.000 1.044 484 E CA -0.627 55.761 56.400 -0.019 0.000 0.826 484 E CB 0.253 29.937 29.700 -0.026 0.000 1.358 484 E HN 0.067 nan 8.360 nan 0.000 0.459 485 K N 0.469 120.864 120.400 -0.008 0.000 2.214 485 K HA 0.089 4.409 4.320 -0.001 0.000 0.201 485 K C 1.721 178.316 176.600 -0.009 0.000 1.049 485 K CA 0.540 56.825 56.287 -0.003 0.000 0.978 485 K CB 0.400 32.898 32.500 -0.003 0.000 0.842 485 K HN 0.469 nan 8.250 nan 0.000 0.474 486 E N 1.469 121.660 120.200 -0.014 0.000 2.006 486 E HA -0.132 4.218 4.350 -0.001 0.000 0.192 486 E C 2.043 178.628 176.600 -0.025 0.000 0.993 486 E CA 1.178 57.566 56.400 -0.019 0.000 0.808 486 E CB 0.084 29.773 29.700 -0.018 0.000 0.764 486 E HN 0.123 nan 8.360 nan 0.000 0.449 487 M N 0.356 119.941 119.600 -0.024 0.000 2.159 487 M HA -0.156 4.323 4.480 -0.001 0.000 0.263 487 M C 2.438 178.719 176.300 -0.032 0.000 1.063 487 M CA 1.393 56.678 55.300 -0.026 0.000 1.110 487 M CB -0.227 32.360 32.600 -0.022 0.000 1.374 487 M HN 0.240 nan 8.290 nan 0.000 0.411 488 A N 0.588 123.400 122.820 -0.014 0.000 1.883 488 A HA -0.127 4.193 4.320 -0.001 0.000 0.217 488 A C 2.380 179.921 177.584 -0.071 0.000 1.186 488 A CA 2.130 54.176 52.037 0.015 0.000 0.624 488 A CB -0.972 18.063 19.000 0.058 0.000 0.822 488 A HN 0.512 nan 8.150 nan 0.000 0.444 489 A N -0.562 122.224 122.820 -0.058 0.000 1.930 489 A HA -0.130 4.190 4.320 -0.001 0.000 0.217 489 A C 1.940 179.451 177.584 -0.122 0.000 1.175 489 A CA 1.532 53.521 52.037 -0.080 0.000 0.627 489 A CB -0.426 18.549 19.000 -0.042 0.000 0.815 489 A HN 0.538 nan 8.150 nan 0.000 0.443 490 E N 0.106 120.247 120.200 -0.099 0.000 2.058 490 E HA -0.179 4.171 4.350 -0.001 0.000 0.194 490 E C 2.050 178.564 176.600 -0.142 0.000 0.997 490 E CA 1.212 57.556 56.400 -0.094 0.000 0.801 490 E CB -0.409 29.258 29.700 -0.055 0.000 0.746 490 E HN 0.675 nan 8.360 nan 0.000 0.450 491 L N 0.745 121.844 121.223 -0.206 0.000 2.056 491 L HA -0.151 4.189 4.340 -0.001 0.000 0.207 491 L C 2.723 179.160 176.870 -0.722 0.000 1.078 491 L CA 1.098 55.755 54.840 -0.304 0.000 0.749 491 L CB -0.341 41.543 42.059 -0.291 0.000 0.901 491 L HN 0.060 nan 8.230 nan 0.000 0.433 492 K N 0.374 120.206 120.400 -0.947 0.000 2.057 492 K HA -0.186 4.133 4.320 -0.001 0.000 0.207 492 K C 2.135 178.558 176.600 -0.296 0.000 1.049 492 K CA 1.333 57.139 56.287 -0.800 0.000 0.931 492 K CB -0.079 32.211 32.500 -0.351 0.000 0.714 492 K HN 0.271 nan 8.250 nan 0.000 0.440 493 A N 0.983 123.679 122.820 -0.207 0.000 1.933 493 A HA -0.111 4.209 4.320 -0.001 0.000 0.218 493 A C 2.044 179.560 177.584 -0.113 0.000 1.175 493 A CA 1.201 53.168 52.037 -0.116 0.000 0.628 493 A CB -0.428 18.517 19.000 -0.092 0.000 0.814 493 A HN 0.294 nan 8.150 nan 0.000 0.444 494 L N -2.868 118.269 121.223 -0.143 0.000 2.068 494 L HA -0.087 4.253 4.340 -0.001 0.000 0.204 494 L C 2.393 179.120 176.870 -0.240 0.000 1.076 494 L CA 1.239 55.961 54.840 -0.197 0.000 0.753 494 L CB -0.399 41.521 42.059 -0.231 0.000 0.910 494 L HN 0.464 nan 8.230 nan 0.000 0.439 495 Y N -1.384 118.857 120.300 -0.098 0.000 2.503 495 Y HA 0.010 4.559 4.550 -0.001 0.000 0.277 495 Y C 2.035 177.995 175.900 0.100 0.000 1.102 495 Y CA 0.525 58.652 58.100 0.045 0.000 1.261 495 Y CB 0.513 39.092 38.460 0.199 0.000 1.096 495 Y HN 0.102 nan 8.280 nan 0.000 0.546 496 S N -0.999 114.811 115.700 0.183 0.000 1.577 496 S HA -0.284 4.185 4.470 -0.001 0.000 0.240 496 S C 0.038 174.832 174.600 0.323 0.000 0.755 496 S CA 1.726 60.034 58.200 0.180 0.000 1.398 496 S CB -1.284 61.987 63.200 0.118 0.000 1.552 496 S HN 0.523 nan 8.310 nan 0.000 0.510 497 D N 0.780 121.385 120.400 0.342 0.000 2.256 497 D HA 0.542 5.181 4.640 -0.001 0.000 0.240 497 D C 0.684 177.118 176.300 0.224 0.000 1.062 497 D CA -0.439 53.713 54.000 0.254 0.000 0.832 497 D CB 1.260 42.150 40.800 0.149 0.000 1.135 497 D HN 0.162 nan 8.370 nan 0.000 0.484 498 I N 3.132 123.641 120.570 -0.101 0.000 2.335 498 I HA -0.211 3.959 4.170 -0.001 0.000 0.251 498 I C 1.084 177.060 176.117 -0.236 0.000 1.129 498 I CA 1.462 62.397 61.300 -0.609 0.000 1.402 498 I CB 0.030 37.606 38.000 -0.706 0.000 1.069 498 I HN 0.356 nan 8.210 nan 0.000 0.424 499 D N -0.397 119.955 120.400 -0.081 0.000 2.378 499 D HA -0.008 4.632 4.640 -0.001 0.000 0.227 499 D C 1.885 178.201 176.300 0.027 0.000 1.012 499 D CA 0.634 54.618 54.000 -0.026 0.000 0.905 499 D CB 0.214 41.008 40.800 -0.011 0.000 0.895 499 D HN 0.292 nan 8.370 nan 0.000 0.532 500 V N 0.447 120.406 119.914 0.077 0.000 3.578 500 V HA 0.106 4.225 4.120 -0.001 0.000 0.290 500 V C 0.660 176.847 176.094 0.154 0.000 1.376 500 V CA -0.223 62.169 62.300 0.155 0.000 1.083 500 V CB 0.014 31.971 31.823 0.224 0.000 0.911 500 V HN 0.085 nan 8.190 nan 0.000 0.433 501 M N 1.515 121.095 119.600 -0.034 0.000 2.250 501 M HA 0.126 4.605 4.480 -0.001 0.000 0.337 501 M C 0.245 176.475 176.300 -0.118 0.000 1.161 501 M CA 0.525 55.628 55.300 -0.328 0.000 1.088 501 M CB -0.123 32.295 32.600 -0.302 0.000 1.639 501 M HN 0.277 nan 8.290 nan 0.000 0.447 502 E N 3.245 123.371 120.200 -0.124 0.000 2.313 502 E HA 0.118 4.468 4.350 -0.001 0.000 0.272 502 E C 0.576 177.224 176.600 0.079 0.000 1.038 502 E CA -0.584 55.869 56.400 0.088 0.000 0.863 502 E CB 1.096 30.908 29.700 0.187 0.000 1.060 502 E HN 0.769 nan 8.360 nan 0.000 0.402 503 L N 3.387 124.699 121.223 0.148 0.000 1.989 503 L HA -0.248 4.092 4.340 -0.001 0.000 0.211 503 L C 2.007 178.934 176.870 0.095 0.000 1.071 503 L CA 1.963 56.870 54.840 0.112 0.000 0.749 503 L CB -0.680 41.420 42.059 0.067 0.000 0.890 503 L HN 0.702 nan 8.230 nan 0.000 0.431 504 Y N 1.326 121.634 120.300 0.013 0.000 2.114 504 Y HA -0.085 4.465 4.550 -0.001 0.000 0.284 504 Y C -0.587 175.326 175.900 0.022 0.000 1.143 504 Y CA 1.832 59.929 58.100 -0.006 0.000 1.135 504 Y CB -1.853 36.573 38.460 -0.057 0.000 0.980 504 Y HN 0.269 nan 8.280 nan 0.000 0.499 505 P HA -0.162 nan 4.420 nan 0.000 0.218 505 P C 1.328 178.538 177.300 -0.150 0.000 1.149 505 P CA 2.241 65.243 63.100 -0.164 0.000 0.817 505 P CB -0.347 31.373 31.700 0.034 0.000 0.785 506 A N 0.240 123.003 122.820 -0.094 0.000 1.902 506 A HA -0.149 4.170 4.320 -0.001 0.000 0.217 506 A C 2.384 179.917 177.584 -0.085 0.000 1.181 506 A CA 1.392 53.383 52.037 -0.076 0.000 0.623 506 A CB -1.650 17.331 19.000 -0.032 0.000 0.818 506 A HN 0.129 nan 8.150 nan 0.000 0.443 507 L N -0.675 120.485 121.223 -0.104 0.000 2.079 507 L HA -0.175 4.164 4.340 -0.001 0.000 0.210 507 L C 2.281 179.079 176.870 -0.120 0.000 1.081 507 L CA 1.033 55.814 54.840 -0.099 0.000 0.752 507 L CB -0.416 41.591 42.059 -0.087 0.000 0.896 507 L HN 0.378 nan 8.230 nan 0.000 0.433 508 L N -0.748 120.359 121.223 -0.193 0.000 2.446 508 L HA -0.022 4.317 4.340 -0.001 0.000 0.219 508 L C 2.021 178.831 176.870 -0.100 0.000 1.116 508 L CA 0.354 55.103 54.840 -0.152 0.000 0.844 508 L CB -0.123 41.802 42.059 -0.223 0.000 0.970 508 L HN 0.252 nan 8.230 nan 0.000 0.457 509 V N -4.204 115.652 119.914 -0.096 0.000 3.578 509 V HA 0.159 4.279 4.120 -0.001 0.000 0.290 509 V C 0.907 176.953 176.094 -0.080 0.000 1.376 509 V CA -0.329 61.926 62.300 -0.074 0.000 1.083 509 V CB -0.097 31.691 31.823 -0.058 0.000 0.911 509 V HN 0.240 nan 8.190 nan 0.000 0.433 510 E N 2.289 122.441 120.200 -0.081 0.000 2.415 510 E HA 0.051 4.401 4.350 -0.001 0.000 0.262 510 E C 0.282 176.841 176.600 -0.069 0.000 1.038 510 E CA -0.291 56.058 56.400 -0.085 0.000 0.921 510 E CB 0.520 30.199 29.700 -0.035 0.000 0.950 510 E HN 0.520 nan 8.360 nan 0.000 0.438 511 K N 5.129 125.483 120.400 -0.078 0.000 2.453 511 K HA 0.059 4.378 4.320 -0.001 0.000 0.280 511 K C -2.284 174.295 176.600 -0.035 0.000 1.045 511 K CA -1.175 55.081 56.287 -0.053 0.000 1.059 511 K CB 0.347 32.821 32.500 -0.043 0.000 0.901 511 K HN 0.227 nan 8.250 nan 0.000 0.475 512 P HA 0.135 nan 4.420 nan 0.000 0.274 512 P C -0.806 176.462 177.300 -0.053 0.000 1.237 512 P CA -0.482 62.586 63.100 -0.054 0.000 0.793 512 P CB 0.589 32.240 31.700 -0.080 0.000 0.977 513 R N 2.184 122.635 120.500 -0.083 0.000 2.784 513 R HA 0.172 4.512 4.340 -0.001 0.000 0.266 513 R C -1.969 174.314 176.300 -0.028 0.000 1.044 513 R CA -1.265 54.782 56.100 -0.089 0.000 1.151 513 R CB -1.542 28.604 30.300 -0.257 0.000 1.037 513 R HN 0.391 nan 8.270 nan 0.000 0.478 514 P HA -0.057 nan 4.420 nan 0.000 0.260 514 P C -0.889 176.406 177.300 -0.008 0.000 1.185 514 P CA 0.621 63.738 63.100 0.029 0.000 0.763 514 P CB 0.278 32.030 31.700 0.086 0.000 0.776 515 D N 0.024 120.399 120.400 -0.043 0.000 2.811 515 D HA -0.209 4.431 4.640 -0.001 0.000 0.231 515 D C 0.198 176.428 176.300 -0.116 0.000 1.157 515 D CA 1.455 55.408 54.000 -0.078 0.000 0.716 515 D CB -1.247 39.511 40.800 -0.070 0.000 1.077 515 D HN 0.470 nan 8.370 nan 0.000 0.428 516 A N -0.285 122.461 122.820 -0.124 0.000 2.322 516 A HA 0.703 5.023 4.320 -0.001 0.000 0.327 516 A C 1.175 178.596 177.584 -0.272 0.000 1.134 516 A CA -0.580 51.346 52.037 -0.186 0.000 0.831 516 A CB 1.279 20.209 19.000 -0.117 0.000 1.288 516 A HN 0.120 nan 8.150 nan 0.000 0.472 517 I N -0.737 119.560 120.570 -0.455 0.000 2.617 517 I HA 0.115 4.284 4.170 -0.001 0.000 0.256 517 I C -0.660 175.111 176.117 -0.576 0.000 1.167 517 I CA 0.750 61.662 61.300 -0.646 0.000 1.469 517 I CB -0.067 37.312 38.000 -1.035 0.000 1.098 517 I HN 0.484 nan 8.210 nan 0.000 0.436 518 F N -0.464 119.338 119.950 -0.247 0.000 2.593 518 F HA 0.611 5.138 4.527 -0.001 0.000 0.320 518 F C 0.758 176.454 175.800 -0.173 0.000 1.060 518 F CA -1.290 56.573 58.000 -0.228 0.000 0.940 518 F CB 0.713 39.569 39.000 -0.241 0.000 1.268 518 F HN -0.260 nan 8.300 nan 0.000 0.475 519 G N -0.273 108.578 108.800 0.086 0.000 2.535 519 G HA2 0.261 4.221 3.960 -0.001 0.000 0.303 519 G HA3 0.261 4.221 3.960 -0.001 0.000 0.303 519 G C 0.624 175.527 174.900 0.006 0.000 1.237 519 G CA -0.342 44.767 45.100 0.015 0.000 0.986 519 G HN 0.735 nan 8.290 nan 0.000 0.494 520 E N -0.976 119.228 120.200 0.006 0.000 2.070 520 E HA -0.185 4.165 4.350 -0.001 0.000 0.197 520 E C 2.317 178.913 176.600 -0.007 0.000 1.004 520 E CA 1.898 58.297 56.400 -0.001 0.000 0.805 520 E CB -0.180 29.531 29.700 0.017 0.000 0.744 520 E HN 0.465 nan 8.360 nan 0.000 0.451 521 T N 0.903 115.464 114.554 0.011 0.000 2.746 521 T HA -0.200 4.149 4.350 -0.001 0.000 0.267 521 T C 1.717 176.368 174.700 -0.081 0.000 1.039 521 T CA 1.559 63.649 62.100 -0.018 0.000 1.142 521 T CB -0.240 68.649 68.868 0.036 0.000 0.866 521 T HN 0.175 nan 8.240 nan 0.000 0.444 522 M N 1.219 120.753 119.600 -0.109 0.000 2.086 522 M HA -0.048 4.432 4.480 -0.001 0.000 0.261 522 M C 2.102 178.278 176.300 -0.206 0.000 1.067 522 M CA 1.432 56.596 55.300 -0.226 0.000 1.116 522 M CB -0.578 31.734 32.600 -0.480 0.000 1.348 522 M HN 0.064 nan 8.290 nan 0.000 0.407 523 V N 0.177 120.019 119.914 -0.120 0.000 2.358 523 V HA -0.190 3.930 4.120 -0.001 0.000 0.246 523 V C 2.284 178.366 176.094 -0.021 0.000 1.047 523 V CA 1.739 64.025 62.300 -0.024 0.000 1.035 523 V CB -0.906 30.960 31.823 0.072 0.000 0.658 523 V HN 0.424 nan 8.190 nan 0.000 0.452 524 E N -0.303 119.870 120.200 -0.045 0.000 2.358 524 E HA -0.051 4.299 4.350 -0.001 0.000 0.195 524 E C 1.951 178.415 176.600 -0.227 0.000 1.010 524 E CA 0.673 57.044 56.400 -0.048 0.000 0.856 524 E CB 0.032 29.735 29.700 0.006 0.000 0.795 524 E HN 0.409 nan 8.360 nan 0.000 0.504 525 L N -0.283 120.707 121.223 -0.389 0.000 2.200 525 L HA 0.123 4.462 4.340 -0.001 0.000 0.200 525 L C 2.366 179.022 176.870 -0.355 0.000 1.072 525 L CA 1.479 55.848 54.840 -0.784 0.000 0.787 525 L CB -1.041 40.659 42.059 -0.598 0.000 0.957 525 L HN 0.112 nan 8.230 nan 0.000 0.459 526 G N -0.624 108.144 108.800 -0.054 0.000 2.440 526 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.218 526 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.218 526 G C 1.691 176.667 174.900 0.127 0.000 1.154 526 G CA 0.993 46.198 45.100 0.175 0.000 0.767 526 G HN 0.462 nan 8.290 nan 0.000 0.552 527 A N 1.593 124.439 122.820 0.044 0.000 1.877 527 A HA 0.076 4.396 4.320 -0.001 0.000 0.216 527 A C 0.818 178.412 177.584 0.016 0.000 1.186 527 A CA 2.005 54.087 52.037 0.075 0.000 0.620 527 A CB -1.164 17.891 19.000 0.092 0.000 0.822 527 A HN 0.381 nan 8.150 nan 0.000 0.443 528 P HA -0.143 nan 4.420 nan 0.000 0.215 528 P C 1.237 178.438 177.300 -0.166 0.000 1.157 528 P CA 1.158 64.191 63.100 -0.112 0.000 0.868 528 P CB -0.259 31.361 31.700 -0.134 0.000 0.788 529 F N -0.458 119.348 119.950 -0.240 0.000 2.095 529 F HA -0.196 4.331 4.527 -0.001 0.000 0.298 529 F C 2.793 178.204 175.800 -0.648 0.000 1.104 529 F CA 1.465 59.088 58.000 -0.628 0.000 1.232 529 F CB -1.000 37.182 39.000 -1.363 0.000 0.987 529 F HN -0.036 nan 8.300 nan 0.000 0.475 530 S N 0.672 116.260 115.700 -0.187 0.000 2.343 530 S HA -0.150 4.320 4.470 -0.001 0.000 0.219 530 S C 2.020 176.711 174.600 0.152 0.000 1.033 530 S CA 1.242 59.536 58.200 0.156 0.000 1.014 530 S CB -0.520 62.921 63.200 0.401 0.000 0.915 530 S HN 0.288 nan 8.310 nan 0.000 0.435 531 L N 0.934 122.234 121.223 0.129 0.000 2.093 531 L HA -0.046 4.293 4.340 -0.001 0.000 0.208 531 L C 2.677 179.640 176.870 0.154 0.000 1.085 531 L CA 1.491 56.416 54.840 0.142 0.000 0.755 531 L CB -0.560 41.575 42.059 0.126 0.000 0.904 531 L HN 0.322 nan 8.230 nan 0.000 0.435 532 K N 1.005 121.479 120.400 0.123 0.000 2.057 532 K HA -0.117 4.202 4.320 -0.001 0.000 0.207 532 K C 1.949 178.623 176.600 0.123 0.000 1.049 532 K CA 1.676 58.054 56.287 0.151 0.000 0.931 532 K CB -0.755 31.771 32.500 0.044 0.000 0.714 532 K HN 0.182 nan 8.250 nan 0.000 0.440 533 G N 0.528 109.354 108.800 0.043 0.000 2.422 533 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.218 533 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.218 533 G C 1.493 176.437 174.900 0.074 0.000 1.146 533 G CA 1.036 46.132 45.100 -0.006 0.000 0.769 533 G HN 0.292 nan 8.290 nan 0.000 0.547 534 L N -0.166 121.139 121.223 0.137 0.000 2.049 534 L HA 0.051 4.391 4.340 -0.001 0.000 0.203 534 L C 2.901 179.881 176.870 0.184 0.000 1.074 534 L CA 0.659 55.590 54.840 0.150 0.000 0.749 534 L CB -0.266 41.875 42.059 0.135 0.000 0.907 534 L HN 0.097 nan 8.230 nan 0.000 0.439 535 M N -0.442 119.296 119.600 0.230 0.000 2.419 535 M HA 0.043 4.522 4.480 -0.001 0.000 0.264 535 M C 2.200 178.803 176.300 0.506 0.000 1.082 535 M CA 1.048 56.514 55.300 0.276 0.000 1.119 535 M CB -1.592 31.040 32.600 0.054 0.000 1.398 535 M HN 0.257 nan 8.290 nan 0.000 0.453 536 G N 0.706 109.785 108.800 0.465 0.000 2.559 536 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.216 536 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.216 536 G C 0.852 175.955 174.900 0.338 0.000 1.126 536 G CA -0.081 45.251 45.100 0.386 0.000 0.778 536 G HN 0.443 nan 8.290 nan 0.000 0.543 537 N N 1.122 119.989 118.700 0.278 0.000 2.454 537 N HA 0.031 4.770 4.740 -0.001 0.000 0.254 537 N C -1.024 174.576 175.510 0.151 0.000 1.228 537 N CA -1.129 52.030 53.050 0.181 0.000 0.900 537 N CB 1.888 40.477 38.487 0.171 0.000 1.089 537 N HN -0.036 nan 8.380 nan 0.000 0.449 538 P HA -0.140 nan 4.420 nan 0.000 0.222 538 P C 1.513 178.591 177.300 -0.369 0.000 1.147 538 P CA 1.100 64.034 63.100 -0.276 0.000 0.790 538 P CB -0.119 31.266 31.700 -0.524 0.000 0.780 539 I N -2.966 117.561 120.570 -0.072 0.000 2.756 539 I HA -0.117 4.053 4.170 -0.001 0.000 0.262 539 I C 1.565 177.975 176.117 0.487 0.000 1.225 539 I CA 1.318 62.807 61.300 0.316 0.000 1.472 539 I CB -1.134 37.225 38.000 0.597 0.000 1.094 539 I HN -0.164 nan 8.210 nan 0.000 0.454 540 C N 1.573 121.032 119.300 0.265 0.000 2.562 540 C HA 0.175 4.635 4.460 -0.001 0.000 0.266 540 C C 1.762 176.780 174.990 0.046 0.000 1.382 540 C CA 0.216 59.333 59.018 0.165 0.000 1.742 540 C CB -1.908 25.973 27.740 0.235 0.000 1.812 540 C HN 0.706 nan 8.230 nan 0.000 0.559 541 S N 2.165 117.719 115.700 -0.243 0.000 2.592 541 S HA 0.215 4.684 4.470 -0.001 0.000 0.271 541 S C -1.336 173.215 174.600 -0.082 0.000 1.326 541 S CA -0.673 57.136 58.200 -0.651 0.000 1.024 541 S CB 0.787 63.603 63.200 -0.640 0.000 0.921 541 S HN 0.140 nan 8.310 nan 0.000 0.527 542 P HA -0.128 nan 4.420 nan 0.000 0.218 542 P C 1.237 178.472 177.300 -0.108 0.000 1.148 542 P CA 1.182 63.987 63.100 -0.491 0.000 0.822 542 P CB 0.025 31.233 31.700 -0.820 0.000 0.784 543 Q N -1.783 117.998 119.800 -0.031 0.000 2.378 543 Q HA -0.068 4.272 4.340 -0.001 0.000 0.205 543 Q C 1.975 177.963 176.000 -0.020 0.000 0.954 543 Q CA 1.112 56.904 55.803 -0.019 0.000 0.901 543 Q CB -0.438 28.286 28.738 -0.024 0.000 0.981 543 Q HN 0.482 nan 8.270 nan 0.000 0.483 544 Y N -1.942 118.363 120.300 0.010 0.000 2.389 544 Y HA -0.009 4.541 4.550 -0.001 0.000 0.292 544 Y C 1.182 177.183 175.900 0.168 0.000 1.117 544 Y CA -0.210 57.915 58.100 0.042 0.000 1.195 544 Y CB 0.310 38.835 38.460 0.108 0.000 1.076 544 Y HN 0.168 nan 8.280 nan 0.000 0.548 545 W N 4.198 125.664 121.300 0.278 0.000 1.564 545 W HA 0.222 4.881 4.660 -0.001 0.000 0.480 545 W C -1.013 175.620 176.519 0.190 0.000 0.699 545 W CA 0.336 57.918 57.345 0.394 0.000 1.985 545 W CB -0.612 29.157 29.460 0.514 0.000 1.738 545 W HN 0.017 nan 8.180 nan 0.000 0.218 546 K N 3.374 123.617 120.400 -0.262 0.000 2.502 546 K HA 0.230 4.550 4.320 -0.001 0.000 0.257 546 K C -1.780 174.352 176.600 -0.780 0.000 0.938 546 K CA -1.620 54.371 56.287 -0.494 0.000 0.819 546 K CB 2.269 34.617 32.500 -0.253 0.000 1.333 546 K HN -0.216 nan 8.250 nan 0.000 0.434 547 P HA -0.252 nan 4.420 nan 0.000 0.216 547 P C 1.136 178.304 177.300 -0.221 0.000 1.153 547 P CA 1.607 64.344 63.100 -0.605 0.000 0.858 547 P CB 0.059 31.584 31.700 -0.292 0.000 0.789 548 S N -1.290 114.289 115.700 -0.201 0.000 2.419 548 S HA -0.139 4.331 4.470 -0.001 0.000 0.233 548 S C 1.908 176.403 174.600 -0.174 0.000 1.016 548 S CA 1.823 59.956 58.200 -0.111 0.000 0.974 548 S CB -2.044 61.095 63.200 -0.101 0.000 0.786 548 S HN 0.131 nan 8.310 nan 0.000 0.492 549 T N 1.517 115.840 114.554 -0.384 0.000 2.803 549 T HA 0.003 4.352 4.350 -0.001 0.000 0.269 549 T C 0.558 174.883 174.700 -0.625 0.000 1.052 549 T CA 1.276 62.991 62.100 -0.643 0.000 1.136 549 T CB -0.487 67.749 68.868 -1.053 0.000 0.864 549 T HN 0.626 nan 8.240 nan 0.000 0.467 550 F N 0.192 120.160 119.950 0.030 0.000 2.750 550 F HA 0.482 5.008 4.527 -0.001 0.000 0.297 550 F C 1.566 177.477 175.800 0.185 0.000 1.138 550 F CA -0.512 57.565 58.000 0.128 0.000 1.346 550 F CB 0.079 39.178 39.000 0.165 0.000 0.965 550 F HN 0.183 nan 8.300 nan 0.000 0.514 551 G N 0.313 109.298 108.800 0.308 0.000 2.143 551 G HA2 0.091 4.051 3.960 -0.001 0.000 0.248 551 G HA3 0.091 4.051 3.960 -0.001 0.000 0.248 551 G C 0.595 175.685 174.900 0.316 0.000 0.991 551 G CA 0.064 45.387 45.100 0.371 0.000 0.689 551 G HN 1.235 nan 8.290 nan 0.000 0.522 552 G N -1.506 107.417 108.800 0.205 0.000 2.422 552 G HA2 0.205 4.165 3.960 -0.001 0.000 0.607 552 G HA3 0.205 4.165 3.960 -0.001 0.000 0.607 552 G C 0.386 175.371 174.900 0.142 0.000 1.270 552 G CA 0.505 45.683 45.100 0.130 0.000 0.992 552 G HN 0.494 nan 8.290 nan 0.000 0.499 553 E N -0.625 119.639 120.200 0.106 0.000 2.153 553 E HA -0.086 4.264 4.350 -0.001 0.000 0.194 553 E C 2.820 179.508 176.600 0.145 0.000 0.988 553 E CA 1.543 58.033 56.400 0.151 0.000 0.811 553 E CB -0.211 29.548 29.700 0.098 0.000 0.746 553 E HN 0.411 nan 8.360 nan 0.000 0.466 554 V N 0.885 120.852 119.914 0.090 0.000 2.307 554 V HA -0.172 3.947 4.120 -0.001 0.000 0.245 554 V C 2.450 178.605 176.094 0.102 0.000 1.045 554 V CA 1.985 64.323 62.300 0.064 0.000 1.024 554 V CB -1.056 30.775 31.823 0.014 0.000 0.651 554 V HN 0.318 nan 8.190 nan 0.000 0.449 555 G N -0.915 107.978 108.800 0.156 0.000 2.418 555 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.217 555 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.217 555 G C 1.551 176.586 174.900 0.225 0.000 1.158 555 G CA 0.874 46.101 45.100 0.211 0.000 0.771 555 G HN 0.423 nan 8.290 nan 0.000 0.545 556 F N 1.508 121.481 119.950 0.039 0.000 2.171 556 F HA 0.059 4.585 4.527 -0.001 0.000 0.300 556 F C 2.490 178.224 175.800 -0.108 0.000 1.090 556 F CA 1.471 59.406 58.000 -0.108 0.000 1.293 556 F CB -0.219 38.736 39.000 -0.074 0.000 1.013 556 F HN 0.163 nan 8.300 nan 0.000 0.486 557 K N 0.281 120.686 120.400 0.008 0.000 2.211 557 K HA -0.111 4.208 4.320 -0.001 0.000 0.203 557 K C 2.146 178.717 176.600 -0.049 0.000 1.050 557 K CA 1.286 57.529 56.287 -0.074 0.000 0.945 557 K CB -0.230 32.263 32.500 -0.012 0.000 0.732 557 K HN 0.318 nan 8.250 nan 0.000 0.451 558 I N 0.899 121.469 120.570 0.001 0.000 2.208 558 I HA -0.324 3.845 4.170 -0.001 0.000 0.245 558 I C 2.097 178.228 176.117 0.023 0.000 1.097 558 I CA 1.300 62.614 61.300 0.023 0.000 1.363 558 I CB -0.209 37.827 38.000 0.059 0.000 1.051 558 I HN 0.191 nan 8.210 nan 0.000 0.413 559 I N 0.619 121.180 120.570 -0.016 0.000 2.163 559 I HA -0.284 3.886 4.170 -0.001 0.000 0.240 559 I C 1.930 178.082 176.117 0.058 0.000 1.081 559 I CA 1.373 62.691 61.300 0.031 0.000 1.353 559 I CB -0.495 37.477 38.000 -0.047 0.000 1.054 559 I HN 0.292 nan 8.210 nan 0.000 0.407 560 N N 0.288 118.935 118.700 -0.089 0.000 2.550 560 N HA -0.074 4.666 4.740 -0.001 0.000 0.186 560 N C 1.424 176.929 175.510 -0.008 0.000 1.110 560 N CA 1.543 54.554 53.050 -0.065 0.000 0.912 560 N CB -0.041 38.287 38.487 -0.264 0.000 0.968 560 N HN 0.492 nan 8.380 nan 0.000 0.448 561 T N -3.424 111.130 114.554 -0.001 0.000 3.040 561 T HA 0.455 4.805 4.350 -0.001 0.000 0.266 561 T C 0.632 175.348 174.700 0.028 0.000 1.005 561 T CA -0.513 61.593 62.100 0.010 0.000 0.906 561 T CB 0.365 69.230 68.868 -0.005 0.000 1.082 561 T HN 0.070 nan 8.240 nan 0.000 0.531 562 A N 1.944 124.797 122.820 0.056 0.000 2.445 562 A HA 0.659 4.979 4.320 -0.001 0.000 0.242 562 A C 0.617 178.231 177.584 0.051 0.000 1.075 562 A CA -0.080 51.994 52.037 0.062 0.000 0.777 562 A CB 0.095 19.164 19.000 0.115 0.000 1.013 562 A HN 1.035 nan 8.150 nan 0.000 0.493 563 S N 0.797 116.506 115.700 0.015 0.000 2.625 563 S HA 0.450 4.920 4.470 -0.001 0.000 0.271 563 S C 0.405 174.964 174.600 -0.068 0.000 1.161 563 S CA -0.071 58.120 58.200 -0.015 0.000 0.820 563 S CB 0.503 63.680 63.200 -0.038 0.000 1.137 563 S HN 1.056 nan 8.310 nan 0.000 0.470 564 I N 1.213 121.703 120.570 -0.133 0.000 2.286 564 I HA -0.064 4.106 4.170 -0.001 0.000 0.248 564 I C 2.492 178.462 176.117 -0.246 0.000 1.115 564 I CA 1.983 63.147 61.300 -0.227 0.000 1.392 564 I CB -0.569 37.111 38.000 -0.534 0.000 1.065 564 I HN 0.913 nan 8.210 nan 0.000 0.418 565 Q N 0.462 120.113 119.800 -0.249 0.000 2.084 565 Q HA -0.184 4.156 4.340 -0.001 0.000 0.202 565 Q C 2.398 178.305 176.000 -0.156 0.000 0.978 565 Q CA 2.483 58.148 55.803 -0.229 0.000 0.844 565 Q CB -0.504 28.112 28.738 -0.202 0.000 0.898 565 Q HN 0.687 nan 8.270 nan 0.000 0.426 566 S N -0.408 115.221 115.700 -0.117 0.000 2.368 566 S HA -0.147 4.323 4.470 -0.001 0.000 0.224 566 S C 1.894 176.423 174.600 -0.117 0.000 1.029 566 S CA 1.049 59.194 58.200 -0.091 0.000 0.988 566 S CB -0.695 62.471 63.200 -0.056 0.000 0.838 566 S HN 0.406 nan 8.310 nan 0.000 0.462 567 L N 0.969 122.102 121.223 -0.150 0.000 2.012 567 L HA 0.027 4.367 4.340 -0.001 0.000 0.210 567 L C 2.181 178.919 176.870 -0.221 0.000 1.073 567 L CA 1.599 56.303 54.840 -0.227 0.000 0.748 567 L CB -0.702 41.163 42.059 -0.323 0.000 0.891 567 L HN 0.252 nan 8.230 nan 0.000 0.431 568 I N -1.247 119.206 120.570 -0.194 0.000 2.202 568 I HA -0.276 3.894 4.170 -0.001 0.000 0.242 568 I C 2.741 178.771 176.117 -0.146 0.000 1.091 568 I CA 1.362 62.555 61.300 -0.178 0.000 1.368 568 I CB -0.966 36.927 38.000 -0.179 0.000 1.058 568 I HN 0.477 nan 8.210 nan 0.000 0.410 569 c N 1.082 119.606 118.600 -0.126 0.000 2.413 569 c HA -0.182 4.387 4.570 -0.001 0.000 0.276 569 c C 2.711 176.747 174.090 -0.090 0.000 1.248 569 c CA 1.298 57.571 56.329 -0.093 0.000 1.742 569 c CB -1.290 41.175 42.510 -0.074 0.000 2.017 569 c HN 0.527 nan 8.230 nan 0.000 0.481 570 N N 0.959 119.600 118.700 -0.099 0.000 2.409 570 N HA -0.006 4.734 4.740 -0.001 0.000 0.179 570 N C 0.887 176.332 175.510 -0.108 0.000 1.032 570 N CA 0.922 53.917 53.050 -0.091 0.000 0.898 570 N CB -0.394 38.044 38.487 -0.083 0.000 0.971 570 N HN 0.665 nan 8.380 nan 0.000 0.441 571 N N -0.308 118.311 118.700 -0.136 0.000 2.159 571 N HA 0.113 4.852 4.740 -0.001 0.000 0.217 571 N C -0.770 174.639 175.510 -0.169 0.000 1.223 571 N CA 0.117 53.073 53.050 -0.157 0.000 0.896 571 N CB 2.066 40.443 38.487 -0.184 0.000 1.064 571 N HN -0.116 nan 8.380 nan 0.000 0.518 572 V N 1.488 121.314 119.914 -0.147 0.000 2.531 572 V HA 0.212 4.331 4.120 -0.001 0.000 0.301 572 V C 0.288 176.319 176.094 -0.105 0.000 1.034 572 V CA -1.178 61.039 62.300 -0.139 0.000 0.865 572 V CB 2.711 34.453 31.823 -0.136 0.000 0.995 572 V HN -0.021 nan 8.190 nan 0.000 0.424 573 K N 2.865 123.206 120.400 -0.100 0.000 2.511 573 K HA 0.311 4.631 4.320 -0.001 0.000 0.280 573 K C 1.242 177.812 176.600 -0.050 0.000 1.008 573 K CA 1.395 57.639 56.287 -0.072 0.000 1.050 573 K CB 0.162 32.622 32.500 -0.066 0.000 0.889 573 K HN 1.177 nan 8.250 nan 0.000 0.484 574 G N 2.822 111.598 108.800 -0.040 0.000 2.217 574 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.246 574 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.246 574 G C 0.389 175.275 174.900 -0.023 0.000 0.990 574 G CA -0.114 44.971 45.100 -0.025 0.000 0.627 574 G HN 1.256 nan 8.290 nan 0.000 0.522 575 c N 1.221 119.799 118.600 -0.038 0.000 3.514 575 c HA -0.076 4.494 4.570 -0.001 0.000 0.286 575 c C -0.358 173.723 174.090 -0.015 0.000 1.302 575 c CA -0.037 56.269 56.329 -0.038 0.000 2.239 575 c CB -1.848 40.643 42.510 -0.032 0.000 1.429 575 c HN 0.832 nan 8.230 nan 0.000 0.565 576 P HA 0.233 nan 4.420 nan 0.000 0.271 576 P C -0.012 177.307 177.300 0.032 0.000 1.218 576 P CA -0.046 63.067 63.100 0.022 0.000 0.780 576 P CB 0.375 32.079 31.700 0.007 0.000 0.901 577 F N 2.000 121.927 119.950 -0.039 0.000 2.563 577 F HA 0.315 4.841 4.527 -0.001 0.000 0.363 577 F C 0.304 176.075 175.800 -0.049 0.000 1.123 577 F CA 1.076 59.050 58.000 -0.044 0.000 1.307 577 F CB 0.534 39.513 39.000 -0.035 0.000 1.115 577 F HN 0.337 nan 8.300 nan 0.000 0.592 578 T N 3.700 117.530 114.554 -1.206 0.000 2.816 578 T HA 0.614 4.964 4.350 -0.001 0.000 0.299 578 T C -1.423 172.541 174.700 -1.227 0.000 1.230 578 T CA -0.150 61.313 62.100 -1.061 0.000 1.007 578 T CB 1.368 69.958 68.868 -0.463 0.000 1.289 578 T HN 0.986 nan 8.240 nan 0.000 0.508 579 S N 0.174 115.423 115.700 -0.752 0.000 2.627 579 S HA 0.468 4.937 4.470 -0.001 0.000 0.268 579 S C -1.034 173.326 174.600 -0.401 0.000 1.130 579 S CA -0.586 57.286 58.200 -0.546 0.000 0.819 579 S CB 0.295 63.340 63.200 -0.259 0.000 1.100 579 S HN 0.615 nan 8.310 nan 0.000 0.465 580 F N 1.464 121.322 119.950 -0.153 0.000 2.765 580 F HA 0.369 4.895 4.527 -0.001 0.000 0.302 580 F C 1.107 176.606 175.800 -0.502 0.000 1.111 580 F CA -0.249 57.620 58.000 -0.220 0.000 1.359 580 F CB 0.279 39.166 39.000 -0.188 0.000 1.097 580 F HN 0.483 nan 8.300 nan 0.000 0.577 581 N N 0.339 118.936 118.700 -0.171 0.000 2.321 581 N HA 0.396 5.136 4.740 -0.001 0.000 0.299 581 N C -0.527 175.010 175.510 0.046 0.000 1.048 581 N CA -0.728 52.267 53.050 -0.093 0.000 0.836 581 N CB 1.811 40.308 38.487 0.017 0.000 1.269 581 N HN -0.083 nan 8.380 nan 0.000 0.486 582 V N 0.438 120.385 119.914 0.055 0.000 3.096 582 V HA 0.273 4.392 4.120 -0.001 0.000 0.306 582 V C 0.264 176.402 176.094 0.074 0.000 1.088 582 V CA -0.329 62.019 62.300 0.081 0.000 1.129 582 V CB 1.035 32.896 31.823 0.063 0.000 1.014 582 V HN 0.622 nan 8.190 nan 0.000 0.486 583 Q N 0.000 119.839 119.800 0.066 0.000 2.315 583 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 583 Q CA 0.000 55.815 55.803 0.020 0.000 1.022 583 Q CB 0.000 28.720 28.738 -0.030 0.000 1.108 583 Q HN 0.000 nan 8.270 nan 0.000 0.481