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 3krk_1_A DATA FIRST_RESID 33 DATA SEQUENCE HHPccSNPcQ 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 VELGAPFSFK DATA SEQUENCE GLMGNPICSP QYWKPSTFGG EVGFKIINTA SIQSLIcNNV KGcPFTSFNV 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 H HA 0.000 nan 4.556 nan 0.000 0.296 33 H C 0.000 175.405 175.328 0.128 0.000 0.993 33 H CA 0.000 56.114 56.048 0.110 0.000 1.023 33 H CB 0.000 29.819 29.762 0.094 0.000 1.292 34 H N 1.687 120.908 119.070 0.252 0.000 3.004 34 H HA 0.053 4.611 4.556 0.002 0.000 0.316 34 H C -1.704 173.723 175.328 0.165 0.000 1.014 34 H CA -1.083 55.061 56.048 0.160 0.000 1.454 34 H CB 1.095 30.936 29.762 0.132 0.000 1.472 34 H HN 0.507 nan 8.280 nan 0.000 0.571 35 P HA -0.060 nan 4.420 nan 0.000 0.225 35 P C 0.862 178.260 177.300 0.163 0.000 1.148 35 P CA 0.843 64.014 63.100 0.119 0.000 0.779 35 P CB 0.231 31.988 31.700 0.095 0.000 0.780 36 c N -2.482 116.310 118.600 0.319 0.000 2.754 36 c HA 0.117 4.689 4.570 0.002 0.000 0.276 36 c C 2.484 176.589 174.090 0.025 0.000 1.264 36 c CA -0.277 56.108 56.329 0.094 0.000 1.700 36 c CB -2.038 40.548 42.510 0.127 0.000 1.885 36 c HN 0.340 nan 8.230 nan 0.000 0.607 37 c N 1.677 120.350 118.600 0.122 0.000 2.403 37 c HA -0.134 4.438 4.570 0.002 0.000 0.277 37 c C 2.968 177.048 174.090 -0.017 0.000 1.248 37 c CA 2.220 58.579 56.329 0.051 0.000 1.762 37 c CB -1.269 41.296 42.510 0.092 0.000 2.014 37 c HN 0.819 nan 8.230 nan 0.000 0.486 38 S N 0.329 116.016 115.700 -0.021 0.000 2.555 38 S HA -0.048 4.423 4.470 0.002 0.000 0.230 38 S C 0.415 174.957 174.600 -0.096 0.000 0.978 38 S CA 0.594 58.763 58.200 -0.051 0.000 0.934 38 S CB -0.644 62.534 63.200 -0.038 0.000 0.766 38 S HN 0.690 nan 8.310 nan 0.000 0.533 39 N N 1.692 120.315 118.700 -0.130 0.000 2.681 39 N HA -0.086 4.656 4.740 0.002 0.000 0.259 39 N C -2.080 173.325 175.510 -0.176 0.000 1.066 39 N CA 1.006 53.964 53.050 -0.154 0.000 0.717 39 N CB -1.260 37.148 38.487 -0.131 0.000 0.885 39 N HN 0.475 nan 8.380 nan 0.000 0.547 40 P HA 0.037 nan 4.420 nan 0.000 0.227 40 P C 0.239 177.446 177.300 -0.155 0.000 1.161 40 P CA 0.555 63.497 63.100 -0.264 0.000 0.788 40 P CB 0.257 31.586 31.700 -0.618 0.000 0.822 41 c N 2.488 121.001 118.600 -0.145 0.000 2.499 41 c HA 0.377 4.948 4.570 0.002 0.000 0.386 41 c C 0.683 174.711 174.090 -0.102 0.000 1.293 41 c CA -0.539 55.749 56.329 -0.067 0.000 1.884 41 c CB -0.411 42.083 42.510 -0.027 0.000 2.509 41 c HN 0.258 nan 8.230 nan 0.000 0.566 42 Q N 1.681 121.411 119.800 -0.116 0.000 2.240 42 Q HA 0.347 4.688 4.340 0.002 0.000 0.260 42 Q C 0.329 176.185 176.000 -0.241 0.000 1.018 42 Q CA -0.472 55.219 55.803 -0.187 0.000 0.898 42 Q CB 0.539 29.143 28.738 -0.223 0.000 1.301 42 Q HN 0.759 nan 8.270 nan 0.000 0.469 43 N N 1.328 119.842 118.700 -0.311 0.000 2.721 43 N HA -0.220 4.522 4.740 0.002 0.000 0.249 43 N C -0.728 174.690 175.510 -0.154 0.000 1.072 43 N CA 0.863 53.703 53.050 -0.350 0.000 0.710 43 N CB -0.392 37.584 38.487 -0.852 0.000 0.993 43 N HN 0.629 nan 8.380 nan 0.000 0.547 44 R N -4.095 116.329 120.500 -0.128 0.000 3.854 44 R HA -0.121 4.220 4.340 0.002 0.000 0.352 44 R C 0.830 177.109 176.300 -0.035 0.000 1.156 44 R CA 1.067 57.118 56.100 -0.082 0.000 0.917 44 R CB -2.418 27.839 30.300 -0.072 0.000 1.471 44 R HN 0.462 nan 8.270 nan 0.000 0.521 45 G N 1.089 109.867 108.800 -0.037 0.000 2.544 45 G HA2 0.290 4.252 3.960 0.002 0.000 0.242 45 G HA3 0.290 4.252 3.960 0.002 0.000 0.242 45 G C 0.139 175.045 174.900 0.010 0.000 1.247 45 G CA -0.368 44.736 45.100 0.007 0.000 0.840 45 G HN 0.103 nan 8.290 nan 0.000 0.578 46 E N -0.061 120.167 120.200 0.046 0.000 2.156 46 E HA 0.226 4.577 4.350 0.002 0.000 0.279 46 E C -0.727 175.917 176.600 0.072 0.000 0.965 46 E CA -0.476 55.961 56.400 0.063 0.000 0.789 46 E CB 1.950 31.706 29.700 0.093 0.000 1.098 46 E HN 0.314 nan 8.360 nan 0.000 0.397 47 c N 4.652 123.283 118.600 0.053 0.000 2.330 47 c HA 0.633 5.205 4.570 0.002 0.000 0.344 47 c C -0.052 174.115 174.090 0.127 0.000 1.273 47 c CA -0.383 55.996 56.329 0.083 0.000 1.879 47 c CB -0.427 42.084 42.510 0.001 0.000 2.376 47 c HN 0.791 nan 8.230 nan 0.000 0.534 48 M N 5.600 125.299 119.600 0.165 0.000 2.326 48 M HA 0.415 4.897 4.480 0.002 0.000 0.292 48 M C -0.073 176.313 176.300 0.142 0.000 1.081 48 M CA -0.073 55.317 55.300 0.149 0.000 0.919 48 M CB 2.093 34.754 32.600 0.101 0.000 1.634 48 M HN 0.777 nan 8.290 nan 0.000 0.451 49 S N 2.173 117.927 115.700 0.090 0.000 2.564 49 S HA 0.321 4.793 4.470 0.002 0.000 0.278 49 S C 0.653 175.222 174.600 -0.052 0.000 1.333 49 S CA 0.223 58.410 58.200 -0.022 0.000 1.048 49 S CB 0.699 63.755 63.200 -0.240 0.000 0.900 49 S HN 0.811 nan 8.310 nan 0.000 0.505 50 T N -1.122 113.395 114.554 -0.062 0.000 3.043 50 T HA 0.578 4.929 4.350 0.002 0.000 0.272 50 T C 0.685 175.317 174.700 -0.113 0.000 0.990 50 T CA 0.105 62.157 62.100 -0.079 0.000 0.897 50 T CB 0.056 68.888 68.868 -0.061 0.000 1.111 50 T HN 1.165 nan 8.240 nan 0.000 0.529 51 G N -0.029 108.683 108.800 -0.146 0.000 2.561 51 G HA2 0.474 4.436 3.960 0.002 0.000 0.310 51 G HA3 0.474 4.436 3.960 0.002 0.000 0.310 51 G C -0.618 174.142 174.900 -0.234 0.000 1.292 51 G CA -0.761 44.231 45.100 -0.180 0.000 0.811 51 G HN -0.043 nan 8.290 nan 0.000 0.482 52 F N 0.750 120.658 119.950 -0.070 0.000 2.186 52 F HA 0.117 4.646 4.527 0.002 0.000 0.299 52 F C 1.792 177.528 175.800 -0.107 0.000 1.090 52 F CA 1.810 59.758 58.000 -0.087 0.000 1.307 52 F CB 0.257 39.218 39.000 -0.065 0.000 1.019 52 F HN 0.419 nan 8.300 nan 0.000 0.489 53 D N -1.693 118.761 120.400 0.089 0.000 2.819 53 D HA 0.211 4.853 4.640 0.002 0.000 0.326 53 D C -0.432 175.887 176.300 0.031 0.000 1.408 53 D CA -0.187 53.825 54.000 0.021 0.000 0.811 53 D CB -0.287 40.517 40.800 0.006 0.000 1.148 53 D HN 0.149 nan 8.370 nan 0.000 0.457 54 Q N 0.215 120.026 119.800 0.018 0.000 2.345 54 Q HA 0.470 4.812 4.340 0.002 0.000 0.275 54 Q C -1.493 174.533 176.000 0.043 0.000 1.063 54 Q CA -1.205 54.598 55.803 0.000 0.000 0.819 54 Q CB 2.444 31.146 28.738 -0.060 0.000 1.356 54 Q HN 0.415 nan 8.270 nan 0.000 0.418 55 Y N -0.978 119.312 120.300 -0.017 0.000 2.633 55 Y HA 0.804 5.356 4.550 0.002 0.000 0.339 55 Y C -1.193 174.709 175.900 0.003 0.000 1.045 55 Y CA -1.146 56.952 58.100 -0.004 0.000 1.098 55 Y CB 1.705 40.179 38.460 0.024 0.000 1.296 55 Y HN 0.390 nan 8.280 nan 0.000 0.494 56 K N 1.011 121.492 120.400 0.134 0.000 2.469 56 K HA 0.678 5.000 4.320 0.002 0.000 0.254 56 K C -1.958 174.776 176.600 0.224 0.000 0.939 56 K CA -0.684 55.642 56.287 0.064 0.000 0.812 56 K CB 1.947 34.454 32.500 0.012 0.000 1.301 56 K HN 0.959 nan 8.250 nan 0.000 0.433 57 c N 1.824 120.540 118.600 0.193 0.000 2.341 57 c HA 0.333 4.905 4.570 0.002 0.000 0.338 57 c C -0.387 173.768 174.090 0.109 0.000 1.257 57 c CA -0.668 55.760 56.329 0.166 0.000 1.883 57 c CB 0.611 43.223 42.510 0.171 0.000 2.334 57 c HN 0.688 nan 8.230 nan 0.000 0.524 58 D N 1.554 122.011 120.400 0.094 0.000 2.412 58 D HA 0.267 4.908 4.640 0.002 0.000 0.224 58 D C 0.211 176.561 176.300 0.083 0.000 1.093 58 D CA -0.346 53.702 54.000 0.080 0.000 0.850 58 D CB 0.728 41.571 40.800 0.071 0.000 1.046 58 D HN 0.640 nan 8.370 nan 0.000 0.507 59 c N 2.846 121.504 118.600 0.097 0.000 2.625 59 c HA 0.158 4.729 4.570 0.002 0.000 0.285 59 c C 0.833 174.991 174.090 0.114 0.000 1.279 59 c CA -0.371 56.031 56.329 0.121 0.000 1.698 59 c CB -1.641 40.970 42.510 0.169 0.000 1.821 59 c HN 0.530 nan 8.230 nan 0.000 0.600 60 T N 2.001 116.604 114.554 0.083 0.000 2.822 60 T HA 0.022 4.373 4.350 0.002 0.000 0.288 60 T C 0.960 175.703 174.700 0.071 0.000 0.991 60 T CA 0.650 62.790 62.100 0.066 0.000 1.176 60 T CB -0.083 68.813 68.868 0.046 0.000 0.951 60 T HN 0.629 nan 8.240 nan 0.000 0.526 61 R N 0.187 120.732 120.500 0.075 0.000 3.946 61 R HA -0.225 4.116 4.340 0.002 0.000 0.329 61 R C 1.675 178.044 176.300 0.115 0.000 1.209 61 R CA 1.198 57.347 56.100 0.083 0.000 0.909 61 R CB -2.414 27.927 30.300 0.067 0.000 1.355 61 R HN 0.916 nan 8.270 nan 0.000 0.539 62 T N -4.417 110.225 114.554 0.147 0.000 3.043 62 T HA 0.197 4.548 4.350 0.002 0.000 0.263 62 T C 1.542 176.423 174.700 0.302 0.000 1.094 62 T CA 0.952 63.182 62.100 0.216 0.000 1.127 62 T CB 0.652 69.659 68.868 0.231 0.000 0.905 62 T HN 0.691 nan 8.240 nan 0.000 0.490 63 G N 0.577 109.486 108.800 0.181 0.000 2.176 63 G HA2 -0.168 3.793 3.960 0.002 0.000 0.253 63 G HA3 -0.168 3.793 3.960 0.002 0.000 0.253 63 G C -0.088 174.699 174.900 -0.189 0.000 0.979 63 G CA 0.081 45.184 45.100 0.005 0.000 0.641 63 G HN 0.577 nan 8.290 nan 0.000 0.530 64 F N -0.631 119.387 119.950 0.113 0.000 2.611 64 F HA 0.804 5.333 4.527 0.002 0.000 0.324 64 F C 0.333 176.260 175.800 0.211 0.000 1.061 64 F CA -0.811 57.256 58.000 0.113 0.000 0.954 64 F CB 1.599 40.617 39.000 0.030 0.000 1.301 64 F HN 0.272 nan 8.300 nan 0.000 0.482 65 Y N -1.001 119.432 120.300 0.222 0.000 2.896 65 Y HA 0.901 5.452 4.550 0.002 0.000 0.317 65 Y C -0.055 175.921 175.900 0.126 0.000 1.444 65 Y CA -1.358 56.824 58.100 0.137 0.000 1.084 65 Y CB 1.062 39.571 38.460 0.081 0.000 1.382 65 Y HN 1.056 nan 8.280 nan 0.000 0.471 66 G N 0.297 109.219 108.800 0.203 0.000 2.655 66 G HA2 -0.217 3.745 3.960 0.002 0.000 0.680 66 G HA3 -0.217 3.745 3.960 0.002 0.000 0.680 66 G C 0.210 175.162 174.900 0.087 0.000 1.302 66 G CA 0.016 45.162 45.100 0.076 0.000 0.872 66 G HN 1.112 nan 8.290 nan 0.000 0.540 67 E N -0.389 119.847 120.200 0.061 0.000 2.118 67 E HA -0.132 4.219 4.350 0.002 0.000 0.195 67 E C 1.394 178.062 176.600 0.114 0.000 0.992 67 E CA 1.466 57.903 56.400 0.063 0.000 0.804 67 E CB -0.071 29.650 29.700 0.035 0.000 0.741 67 E HN 0.385 nan 8.360 nan 0.000 0.458 68 N N -0.770 117.986 118.700 0.094 0.000 2.235 68 N HA 0.082 4.824 4.740 0.002 0.000 0.231 68 N C -0.637 174.889 175.510 0.026 0.000 1.177 68 N CA 0.307 53.411 53.050 0.089 0.000 0.874 68 N CB 0.554 39.080 38.487 0.066 0.000 1.097 68 N HN 0.104 nan 8.380 nan 0.000 0.518 69 c N 0.857 119.487 118.600 0.050 0.000 4.056 69 c HA -0.120 4.452 4.570 0.002 0.000 0.302 69 c C 1.795 175.871 174.090 -0.025 0.000 1.356 69 c CA 1.032 57.399 56.329 0.064 0.000 2.074 69 c CB -3.115 39.430 42.510 0.059 0.000 1.328 69 c HN 0.589 nan 8.230 nan 0.000 0.684 70 T N -4.677 109.875 114.554 -0.004 0.000 2.969 70 T HA 0.134 4.485 4.350 0.002 0.000 0.250 70 T C 0.399 175.183 174.700 0.139 0.000 1.021 70 T CA 0.715 62.806 62.100 -0.015 0.000 1.003 70 T CB 0.113 68.954 68.868 -0.047 0.000 1.040 70 T HN 0.559 nan 8.240 nan 0.000 0.492 71 T N 5.768 120.311 114.554 -0.018 0.000 2.727 71 T HA 0.372 4.723 4.350 0.002 0.000 0.295 71 T C -2.608 171.993 174.700 -0.163 0.000 0.915 71 T CA -1.072 60.897 62.100 -0.217 0.000 1.066 71 T CB 0.987 69.427 68.868 -0.713 0.000 0.891 71 T HN 0.261 nan 8.240 nan 0.000 0.516 72 P HA 0.262 nan 4.420 nan 0.000 0.278 72 P C -0.019 177.205 177.300 -0.127 0.000 1.238 72 P CA -0.525 62.329 63.100 -0.411 0.000 0.794 72 P CB 1.019 32.489 31.700 -0.383 0.000 0.955 73 E N 0.622 120.753 120.200 -0.115 0.000 2.409 73 E HA 0.003 4.354 4.350 0.002 0.000 0.257 73 E C 0.751 177.375 176.600 0.040 0.000 1.150 73 E CA -0.256 56.190 56.400 0.077 0.000 0.942 73 E CB 0.097 29.815 29.700 0.029 0.000 0.979 73 E HN 0.385 nan 8.360 nan 0.000 0.447 74 F N 1.824 121.766 119.950 -0.014 0.000 2.126 74 F HA -0.206 4.322 4.527 0.002 0.000 0.299 74 F C 1.761 177.534 175.800 -0.046 0.000 1.096 74 F CA 1.256 59.241 58.000 -0.024 0.000 1.255 74 F CB -0.091 38.902 39.000 -0.012 0.000 0.997 74 F HN 0.423 nan 8.300 nan 0.000 0.479 75 L N 0.005 121.166 121.223 -0.104 0.000 2.141 75 L HA -0.135 4.206 4.340 0.002 0.000 0.209 75 L C 2.199 178.934 176.870 -0.226 0.000 1.094 75 L CA 2.344 57.071 54.840 -0.190 0.000 0.763 75 L CB -1.229 40.797 42.059 -0.056 0.000 0.908 75 L HN 0.165 nan 8.230 nan 0.000 0.437 76 T N -0.753 113.670 114.554 -0.218 0.000 2.821 76 T HA -0.127 4.224 4.350 0.002 0.000 0.267 76 T C 1.991 176.548 174.700 -0.238 0.000 1.046 76 T CA 1.137 63.083 62.100 -0.258 0.000 1.139 76 T CB -0.198 68.390 68.868 -0.467 0.000 0.871 76 T HN 0.336 nan 8.240 nan 0.000 0.454 77 R N 0.525 120.872 120.500 -0.256 0.000 2.096 77 R HA -0.054 4.287 4.340 0.002 0.000 0.240 77 R C 2.405 178.573 176.300 -0.220 0.000 1.139 77 R CA 1.487 57.460 56.100 -0.212 0.000 0.952 77 R CB -0.593 29.581 30.300 -0.211 0.000 0.854 77 R HN 0.432 nan 8.270 nan 0.000 0.436 78 I N 0.577 120.952 120.570 -0.324 0.000 2.315 78 I HA -0.234 3.937 4.170 0.002 0.000 0.248 78 I C 2.196 178.218 176.117 -0.158 0.000 1.117 78 I CA 1.263 62.407 61.300 -0.260 0.000 1.404 78 I CB -0.236 37.564 38.000 -0.332 0.000 1.071 78 I HN 0.088 nan 8.210 nan 0.000 0.419 79 K N 0.901 121.213 120.400 -0.147 0.000 2.097 79 K HA -0.114 4.207 4.320 0.002 0.000 0.206 79 K C 2.128 178.696 176.600 -0.053 0.000 1.049 79 K CA 1.280 57.514 56.287 -0.089 0.000 0.933 79 K CB -0.141 32.311 32.500 -0.079 0.000 0.717 79 K HN 0.271 nan 8.250 nan 0.000 0.442 80 L N 0.615 121.806 121.223 -0.052 0.000 2.056 80 L HA -0.162 4.179 4.340 0.002 0.000 0.207 80 L C 2.221 179.080 176.870 -0.019 0.000 1.078 80 L CA 0.971 55.804 54.840 -0.011 0.000 0.749 80 L CB -0.310 41.757 42.059 0.014 0.000 0.901 80 L HN 0.161 nan 8.230 nan 0.000 0.433 81 L N -0.595 120.602 121.223 -0.043 0.000 2.131 81 L HA -0.202 4.139 4.340 0.002 0.000 0.210 81 L C 2.220 179.069 176.870 -0.035 0.000 1.092 81 L CA 1.068 55.886 54.840 -0.038 0.000 0.759 81 L CB -0.246 41.782 42.059 -0.052 0.000 0.903 81 L HN 0.293 nan 8.230 nan 0.000 0.435 82 L N -1.333 119.864 121.223 -0.043 0.000 2.477 82 L HA -0.002 4.340 4.340 0.002 0.000 0.220 82 L C 1.237 178.090 176.870 -0.028 0.000 1.106 82 L CA -0.062 54.753 54.840 -0.041 0.000 0.851 82 L CB -0.193 41.834 42.059 -0.054 0.000 0.994 82 L HN -0.088 nan 8.230 nan 0.000 0.462 83 K N 2.649 123.040 120.400 -0.015 0.000 2.383 83 K HA 0.196 4.518 4.320 0.002 0.000 0.286 83 K C -2.192 174.415 176.600 0.012 0.000 1.051 83 K CA -1.311 54.978 56.287 0.004 0.000 0.974 83 K CB -0.008 32.505 32.500 0.021 0.000 0.968 83 K HN 0.035 nan 8.250 nan 0.000 0.475 84 P HA 0.161 nan 4.420 nan 0.000 0.274 84 P C -0.132 177.195 177.300 0.045 0.000 1.231 84 P CA -0.295 62.821 63.100 0.027 0.000 0.790 84 P CB 0.558 32.277 31.700 0.031 0.000 0.951 85 T N -0.922 113.658 114.554 0.044 0.000 2.860 85 T HA 0.161 4.512 4.350 0.002 0.000 0.299 85 T C -1.737 173.010 174.700 0.078 0.000 1.045 85 T CA -1.274 60.856 62.100 0.050 0.000 1.071 85 T CB -0.179 68.711 68.868 0.036 0.000 0.985 85 T HN 0.165 nan 8.240 nan 0.000 0.537 86 P HA -0.098 nan 4.420 nan 0.000 0.216 86 P C 1.340 178.728 177.300 0.147 0.000 1.150 86 P CA 0.959 64.125 63.100 0.110 0.000 0.843 86 P CB -0.015 31.736 31.700 0.086 0.000 0.787 87 N N -1.660 117.114 118.700 0.122 0.000 2.270 87 N HA -0.069 4.673 4.740 0.002 0.000 0.181 87 N C 1.623 177.264 175.510 0.218 0.000 1.016 87 N CA 1.288 54.435 53.050 0.163 0.000 0.870 87 N CB -1.103 37.446 38.487 0.103 0.000 0.979 87 N HN 0.151 nan 8.380 nan 0.000 0.431 88 T N 0.865 115.511 114.554 0.154 0.000 2.674 88 T HA -0.052 4.299 4.350 0.002 0.000 0.265 88 T C 2.166 176.997 174.700 0.219 0.000 1.039 88 T CA 1.007 63.199 62.100 0.153 0.000 1.150 88 T CB -0.379 68.538 68.868 0.083 0.000 0.864 88 T HN -0.044 nan 8.240 nan 0.000 0.427 89 V N 1.096 121.117 119.914 0.179 0.000 2.332 89 V HA -0.234 3.887 4.120 0.002 0.000 0.248 89 V C 2.279 178.478 176.094 0.174 0.000 1.055 89 V CA 2.219 64.615 62.300 0.160 0.000 1.038 89 V CB -0.775 31.121 31.823 0.123 0.000 0.651 89 V HN 0.583 nan 8.190 nan 0.000 0.450 90 H N -0.862 118.291 119.070 0.137 0.000 2.319 90 H HA -0.281 4.276 4.556 0.002 0.000 0.299 90 H C 2.145 177.589 175.328 0.193 0.000 1.092 90 H CA 2.509 58.645 56.048 0.147 0.000 1.302 90 H CB -0.419 29.447 29.762 0.175 0.000 1.373 90 H HN 0.511 nan 8.280 nan 0.000 0.497 91 Y N 0.454 120.863 120.300 0.182 0.000 2.128 91 Y HA -0.240 4.311 4.550 0.003 0.000 0.284 91 Y C 2.295 178.339 175.900 0.241 0.000 1.154 91 Y CA 2.152 60.358 58.100 0.176 0.000 1.149 91 Y CB -0.337 38.184 38.460 0.101 0.000 0.976 91 Y HN 0.261 nan 8.280 nan 0.000 0.505 92 I N -0.260 120.574 120.570 0.440 0.000 2.226 92 I HA -0.335 3.836 4.170 0.002 0.000 0.245 92 I C 2.188 178.625 176.117 0.534 0.000 1.100 92 I CA 1.359 62.995 61.300 0.559 0.000 1.374 92 I CB -0.464 37.797 38.000 0.435 0.000 1.057 92 I HN 0.247 nan 8.210 nan 0.000 0.413 93 L N 0.255 121.566 121.223 0.147 0.000 2.275 93 L HA -0.132 4.210 4.340 0.002 0.000 0.215 93 L C 2.321 178.996 176.870 -0.325 0.000 1.119 93 L CA 1.572 56.253 54.840 -0.265 0.000 0.790 93 L CB -0.671 40.868 42.059 -0.865 0.000 0.919 93 L HN 0.439 nan 8.230 nan 0.000 0.443 94 T N -5.447 108.949 114.554 -0.263 0.000 3.069 94 T HA 0.157 4.508 4.350 0.002 0.000 0.252 94 T C 0.449 174.869 174.700 -0.467 0.000 1.053 94 T CA -0.225 61.587 62.100 -0.479 0.000 0.964 94 T CB -0.030 68.512 68.868 -0.543 0.000 1.005 94 T HN 0.196 nan 8.240 nan 0.000 0.532 95 H N -0.633 118.369 119.070 -0.112 0.000 2.896 95 H HA 0.600 5.157 4.556 0.003 0.000 0.318 95 H C -0.518 174.942 175.328 0.221 0.000 1.409 95 H CA -1.608 54.318 56.048 -0.204 0.000 1.328 95 H CB 0.473 29.644 29.762 -0.985 0.000 1.940 95 H HN 0.055 nan 8.280 nan 0.000 0.665 96 F N -0.551 119.587 119.950 0.314 0.000 3.027 96 F HA -0.286 4.242 4.527 0.002 0.000 0.276 96 F C 1.650 177.560 175.800 0.183 0.000 0.967 96 F CA 0.646 58.748 58.000 0.170 0.000 0.929 96 F CB -1.090 37.936 39.000 0.043 0.000 0.873 96 F HN 0.514 nan 8.300 nan 0.000 0.787 97 K N 1.127 121.632 120.400 0.175 0.000 2.074 97 K HA -0.186 4.135 4.320 0.002 0.000 0.209 97 K C 2.318 178.976 176.600 0.097 0.000 1.048 97 K CA 1.773 58.044 56.287 -0.028 0.000 0.926 97 K CB -0.593 31.615 32.500 -0.487 0.000 0.713 97 K HN 0.582 nan 8.250 nan 0.000 0.444 98 G N 0.337 109.178 108.800 0.068 0.000 2.440 98 G HA2 -0.229 3.732 3.960 0.002 0.000 0.218 98 G HA3 -0.229 3.732 3.960 0.002 0.000 0.218 98 G C 1.456 176.386 174.900 0.050 0.000 1.154 98 G CA 1.076 46.209 45.100 0.055 0.000 0.767 98 G HN 0.226 nan 8.290 nan 0.000 0.552 99 V N -0.545 119.378 119.914 0.015 0.000 2.358 99 V HA -0.139 3.983 4.120 0.002 0.000 0.246 99 V C 2.424 178.461 176.094 -0.096 0.000 1.047 99 V CA 1.646 63.875 62.300 -0.119 0.000 1.035 99 V CB -0.723 30.919 31.823 -0.302 0.000 0.658 99 V HN 0.589 nan 8.190 nan 0.000 0.452 100 W N 0.303 121.676 121.300 0.121 0.000 2.358 100 W HA -0.130 4.532 4.660 0.003 0.000 0.303 100 W C 2.557 179.154 176.519 0.132 0.000 1.208 100 W CA 0.985 58.426 57.345 0.160 0.000 1.274 100 W CB -0.560 29.038 29.460 0.230 0.000 1.138 100 W HN 0.229 nan 8.180 nan 0.000 0.515 101 N N 0.671 119.547 118.700 0.294 0.000 2.094 101 N HA -0.200 4.542 4.740 0.002 0.000 0.191 101 N C 1.486 177.084 175.510 0.145 0.000 1.023 101 N CA 1.848 55.005 53.050 0.179 0.000 0.857 101 N CB -0.819 37.731 38.487 0.105 0.000 1.013 101 N HN 0.186 nan 8.380 nan 0.000 0.426 102 I N 0.096 120.732 120.570 0.111 0.000 2.142 102 I HA -0.215 3.957 4.170 0.002 0.000 0.240 102 I C 2.157 178.342 176.117 0.114 0.000 1.078 102 I CA 0.727 62.075 61.300 0.080 0.000 1.343 102 I CB -0.386 37.633 38.000 0.031 0.000 1.046 102 I HN -0.091 nan 8.210 nan 0.000 0.405 103 V N 1.047 121.047 119.914 0.142 0.000 2.332 103 V HA -0.275 3.847 4.120 0.002 0.000 0.248 103 V C 1.476 177.742 176.094 0.287 0.000 1.055 103 V CA 1.727 64.150 62.300 0.206 0.000 1.038 103 V CB -0.883 31.089 31.823 0.249 0.000 0.651 103 V HN 0.466 nan 8.190 nan 0.000 0.450 104 N N 0.507 119.398 118.700 0.320 0.000 2.654 104 N HA 0.010 4.751 4.740 0.002 0.000 0.204 104 N C 0.277 175.878 175.510 0.151 0.000 1.446 104 N CA 0.214 53.405 53.050 0.235 0.000 0.895 104 N CB -1.120 37.476 38.487 0.182 0.000 1.132 104 N HN 0.507 nan 8.380 nan 0.000 0.462 105 I N 0.656 121.302 120.570 0.126 0.000 2.730 105 I HA -0.282 3.889 4.170 0.002 0.000 0.128 105 I C -1.073 175.141 176.117 0.162 0.000 0.882 105 I CA -0.534 60.848 61.300 0.137 0.000 2.783 105 I CB -0.155 37.930 38.000 0.142 0.000 0.550 105 I HN 0.035 nan 8.210 nan 0.000 0.352 106 P HA -0.247 nan 4.420 nan 0.000 0.217 106 P C 1.533 178.931 177.300 0.164 0.000 1.151 106 P CA 1.477 64.662 63.100 0.141 0.000 0.849 106 P CB 0.070 31.844 31.700 0.123 0.000 0.787 107 F N -0.033 119.955 119.950 0.062 0.000 2.095 107 F HA -0.190 4.338 4.527 0.002 0.000 0.298 107 F C 1.960 177.797 175.800 0.062 0.000 1.104 107 F CA 1.568 59.599 58.000 0.053 0.000 1.232 107 F CB -0.871 38.151 39.000 0.037 0.000 0.987 107 F HN -0.228 nan 8.300 nan 0.000 0.475 108 L N -0.218 121.021 121.223 0.026 0.000 2.044 108 L HA -0.134 4.207 4.340 0.002 0.000 0.205 108 L C 2.675 179.555 176.870 0.017 0.000 1.075 108 L CA 1.481 56.287 54.840 -0.057 0.000 0.747 108 L CB -0.729 41.380 42.059 0.083 0.000 0.903 108 L HN 0.060 nan 8.230 nan 0.000 0.435 109 R N 0.033 120.632 120.500 0.166 0.000 2.094 109 R HA -0.201 4.140 4.340 0.002 0.000 0.239 109 R C 2.415 178.849 176.300 0.223 0.000 1.137 109 R CA 2.167 58.469 56.100 0.336 0.000 0.943 109 R CB -0.250 30.206 30.300 0.259 0.000 0.850 109 R HN 0.187 nan 8.270 nan 0.000 0.433 110 S N 0.764 116.502 115.700 0.063 0.000 2.359 110 S HA -0.160 4.311 4.470 0.002 0.000 0.224 110 S C 1.824 176.377 174.600 -0.078 0.000 1.035 110 S CA 1.371 59.565 58.200 -0.009 0.000 1.018 110 S CB -0.358 62.816 63.200 -0.044 0.000 0.876 110 S HN 0.394 nan 8.310 nan 0.000 0.448 111 L N 1.073 122.169 121.223 -0.211 0.000 2.012 111 L HA -0.133 4.208 4.340 0.002 0.000 0.210 111 L C 2.046 178.841 176.870 -0.125 0.000 1.073 111 L CA 1.538 56.228 54.840 -0.250 0.000 0.748 111 L CB -0.265 41.528 42.059 -0.444 0.000 0.891 111 L HN 0.305 nan 8.230 nan 0.000 0.431 112 I N -1.235 119.266 120.570 -0.115 0.000 2.202 112 I HA -0.314 3.858 4.170 0.002 0.000 0.242 112 I C 2.487 178.553 176.117 -0.084 0.000 1.091 112 I CA 1.253 62.448 61.300 -0.174 0.000 1.368 112 I CB -0.178 37.551 38.000 -0.451 0.000 1.058 112 I HN 0.354 nan 8.210 nan 0.000 0.410 113 M N 1.204 120.858 119.600 0.090 0.000 2.149 113 M HA -0.237 4.245 4.480 0.002 0.000 0.261 113 M C 2.164 178.452 176.300 -0.020 0.000 1.064 113 M CA 1.850 57.238 55.300 0.148 0.000 1.102 113 M CB -0.431 32.311 32.600 0.235 0.000 1.369 113 M HN 0.016 nan 8.290 nan 0.000 0.408 114 K N -1.412 118.968 120.400 -0.033 0.000 2.063 114 K HA -0.252 4.069 4.320 0.002 0.000 0.208 114 K C 2.067 178.629 176.600 -0.064 0.000 1.048 114 K CA 1.859 58.102 56.287 -0.072 0.000 0.928 114 K CB -0.638 31.825 32.500 -0.061 0.000 0.713 114 K HN 0.445 nan 8.250 nan 0.000 0.442 115 Y N 0.944 121.166 120.300 -0.129 0.000 2.145 115 Y HA -0.203 4.348 4.550 0.002 0.000 0.286 115 Y C 1.869 177.693 175.900 -0.126 0.000 1.145 115 Y CA 1.518 59.546 58.100 -0.120 0.000 1.148 115 Y CB -0.321 38.068 38.460 -0.118 0.000 0.981 115 Y HN -0.109 nan 8.280 nan 0.000 0.507 116 V N 0.697 120.530 119.914 -0.135 0.000 2.231 116 V HA -0.401 3.720 4.120 0.002 0.000 0.250 116 V C 2.514 178.363 176.094 -0.409 0.000 1.058 116 V CA 2.355 64.510 62.300 -0.242 0.000 1.022 116 V CB -1.023 30.696 31.823 -0.172 0.000 0.640 116 V HN 0.463 nan 8.190 nan 0.000 0.445 117 L N 0.243 121.210 121.223 -0.426 0.000 2.042 117 L HA -0.217 4.125 4.340 0.002 0.000 0.210 117 L C 2.764 179.479 176.870 -0.258 0.000 1.076 117 L CA 2.309 56.892 54.840 -0.428 0.000 0.749 117 L CB -1.164 40.679 42.059 -0.361 0.000 0.893 117 L HN 0.643 nan 8.230 nan 0.000 0.432 118 T N -3.503 110.899 114.554 -0.253 0.000 2.809 118 T HA -0.130 4.222 4.350 0.002 0.000 0.260 118 T C 2.084 176.678 174.700 -0.176 0.000 1.039 118 T CA 1.040 63.042 62.100 -0.163 0.000 1.141 118 T CB -0.629 68.149 68.868 -0.151 0.000 0.869 118 T HN 0.428 nan 8.240 nan 0.000 0.437 119 S N 2.168 117.618 115.700 -0.416 0.000 2.382 119 S HA -0.123 4.348 4.470 0.002 0.000 0.228 119 S C 2.269 176.801 174.600 -0.112 0.000 1.027 119 S CA 0.415 58.385 58.200 -0.384 0.000 0.991 119 S CB -0.502 62.228 63.200 -0.782 0.000 0.823 119 S HN 0.288 nan 8.310 nan 0.000 0.469 120 R N 1.583 122.030 120.500 -0.088 0.000 2.062 120 R HA 0.130 4.471 4.340 0.002 0.000 0.231 120 R C 2.751 179.108 176.300 0.096 0.000 1.136 120 R CA 1.529 57.664 56.100 0.058 0.000 0.948 120 R CB -1.547 28.846 30.300 0.155 0.000 0.845 120 R HN 0.517 nan 8.270 nan 0.000 0.430 121 S N 0.664 116.430 115.700 0.110 0.000 2.399 121 S HA -0.156 4.315 4.470 0.002 0.000 0.231 121 S C 1.663 176.319 174.600 0.094 0.000 1.022 121 S CA 0.825 59.114 58.200 0.149 0.000 0.983 121 S CB -0.407 62.973 63.200 0.300 0.000 0.803 121 S HN 0.375 nan 8.310 nan 0.000 0.480 122 Y N 1.958 122.246 120.300 -0.020 0.000 2.465 122 Y HA -0.058 4.493 4.550 0.002 0.000 0.289 122 Y C 1.516 177.365 175.900 -0.085 0.000 1.150 122 Y CA 0.934 59.005 58.100 -0.049 0.000 1.293 122 Y CB -0.329 38.099 38.460 -0.053 0.000 0.977 122 Y HN 0.181 nan 8.280 nan 0.000 0.556 123 L N 0.181 121.350 121.223 -0.091 0.000 2.554 123 L HA -0.022 4.319 4.340 0.002 0.000 0.226 123 L C -0.120 176.544 176.870 -0.343 0.000 1.137 123 L CA -0.039 54.651 54.840 -0.250 0.000 0.863 123 L CB -0.045 41.909 42.059 -0.175 0.000 0.985 123 L HN 0.057 nan 8.230 nan 0.000 0.451 124 I N -0.124 120.303 120.570 -0.239 0.000 2.336 124 I HA 0.159 4.331 4.170 0.002 0.000 0.292 124 I C -0.332 175.672 176.117 -0.188 0.000 0.991 124 I CA -0.815 60.377 61.300 -0.181 0.000 1.227 124 I CB 1.003 38.951 38.000 -0.087 0.000 1.366 124 I HN -0.111 nan 8.210 nan 0.000 0.466 125 D N 4.375 124.679 120.400 -0.160 0.000 2.434 125 D HA 0.110 4.752 4.640 0.002 0.000 0.252 125 D C 0.208 176.427 176.300 -0.134 0.000 1.185 125 D CA 0.598 54.500 54.000 -0.164 0.000 0.886 125 D CB 0.796 41.501 40.800 -0.158 0.000 1.148 125 D HN 0.420 nan 8.370 nan 0.000 0.483 126 S N 2.714 118.323 115.700 -0.152 0.000 2.680 126 S HA 0.390 4.861 4.470 0.002 0.000 0.262 126 S C -2.730 171.789 174.600 -0.134 0.000 1.138 126 S CA -1.308 56.807 58.200 -0.141 0.000 1.072 126 S CB 0.799 63.889 63.200 -0.182 0.000 1.097 126 S HN 0.006 nan 8.310 nan 0.000 0.468 127 P HA 0.220 nan 4.420 nan 0.000 0.267 127 P C -2.531 174.732 177.300 -0.061 0.000 1.201 127 P CA -0.713 62.367 63.100 -0.034 0.000 0.775 127 P CB -0.087 31.601 31.700 -0.022 0.000 0.854 128 P HA 0.061 nan 4.420 nan 0.000 0.276 128 P C 0.003 177.215 177.300 -0.145 0.000 1.244 128 P CA -0.099 62.942 63.100 -0.099 0.000 0.801 128 P CB 0.936 32.561 31.700 -0.124 0.000 1.006 129 T N -1.254 113.151 114.554 -0.249 0.000 3.422 129 T HA 0.194 4.545 4.350 0.002 0.000 0.192 129 T C 0.515 174.948 174.700 -0.445 0.000 0.857 129 T CA 0.170 61.984 62.100 -0.477 0.000 1.400 129 T CB -0.881 67.465 68.868 -0.870 0.000 1.864 129 T HN 0.215 nan 8.240 nan 0.000 0.415 130 Y N 3.817 124.070 120.300 -0.078 0.000 2.299 130 Y HA 0.581 5.132 4.550 0.002 0.000 0.335 130 Y C 0.887 176.717 175.900 -0.117 0.000 1.287 130 Y CA -0.788 57.254 58.100 -0.096 0.000 1.424 130 Y CB 0.273 38.691 38.460 -0.071 0.000 1.326 130 Y HN 0.772 nan 8.280 nan 0.000 0.567 131 N N -2.500 116.215 118.700 0.025 0.000 3.278 131 N HA 0.210 4.951 4.740 0.002 0.000 0.307 131 N C -0.099 175.361 175.510 -0.083 0.000 1.551 131 N CA -0.631 52.365 53.050 -0.091 0.000 0.794 131 N CB 0.398 38.674 38.487 -0.352 0.000 1.770 131 N HN 0.392 nan 8.380 nan 0.000 0.612 132 V N -0.243 119.590 119.914 -0.135 0.000 2.469 132 V HA -0.201 3.920 4.120 0.002 0.000 0.251 132 V C 1.188 177.232 176.094 -0.084 0.000 1.064 132 V CA 1.984 64.221 62.300 -0.107 0.000 1.066 132 V CB -0.936 30.790 31.823 -0.162 0.000 0.667 132 V HN 0.695 nan 8.190 nan 0.000 0.461 133 H N -3.004 115.977 119.070 -0.148 0.000 2.575 133 H HA 0.221 4.778 4.556 0.002 0.000 0.267 133 H C -0.576 174.351 175.328 -0.667 0.000 0.966 133 H CA -0.019 55.834 56.048 -0.324 0.000 1.165 133 H CB 0.378 29.961 29.762 -0.297 0.000 1.433 133 H HN 0.480 nan 8.280 nan 0.000 0.544 134 Y N -0.297 119.904 120.300 -0.166 0.000 2.349 134 Y HA 0.287 4.839 4.550 0.002 0.000 0.324 134 Y C 0.806 176.553 175.900 -0.254 0.000 1.005 134 Y CA -0.838 57.040 58.100 -0.369 0.000 1.240 134 Y CB 1.770 39.949 38.460 -0.468 0.000 1.117 134 Y HN 0.065 nan 8.280 nan 0.000 0.463 135 G N 2.144 110.848 108.800 -0.159 0.000 3.141 135 G HA2 0.109 4.070 3.960 0.002 0.000 0.218 135 G HA3 0.109 4.070 3.960 0.002 0.000 0.218 135 G C -0.346 174.574 174.900 0.032 0.000 1.170 135 G CA 0.222 45.242 45.100 -0.134 0.000 0.769 135 G HN 0.550 nan 8.290 nan 0.000 0.546 136 Y N -2.319 118.147 120.300 0.276 0.000 2.576 136 Y HA 0.789 5.341 4.550 0.002 0.000 0.346 136 Y C -0.255 175.843 175.900 0.331 0.000 1.018 136 Y CA -2.393 55.903 58.100 0.326 0.000 1.050 136 Y CB 1.001 39.586 38.460 0.208 0.000 1.280 136 Y HN -0.262 nan 8.280 nan 0.000 0.474 137 K N 1.729 122.337 120.400 0.345 0.000 2.401 137 K HA 0.495 4.817 4.320 0.002 0.000 0.278 137 K C -0.535 176.168 176.600 0.172 0.000 1.018 137 K CA 0.349 56.687 56.287 0.084 0.000 0.981 137 K CB 0.585 33.089 32.500 0.007 0.000 0.933 137 K HN 0.875 nan 8.250 nan 0.000 0.477 138 S N 1.364 117.057 115.700 -0.011 0.000 2.547 138 S HA 0.212 4.683 4.470 0.002 0.000 0.270 138 S C -0.034 174.554 174.600 -0.021 0.000 1.150 138 S CA -1.107 57.100 58.200 0.011 0.000 0.850 138 S CB 0.410 63.502 63.200 -0.180 0.000 1.118 138 S HN 0.800 nan 8.310 nan 0.000 0.461 139 W N 1.453 122.717 121.300 -0.061 0.000 2.363 139 W HA -0.113 4.549 4.660 0.003 0.000 0.296 139 W C 1.630 178.132 176.519 -0.029 0.000 1.212 139 W CA 2.326 59.676 57.345 0.008 0.000 1.260 139 W CB -0.139 29.339 29.460 0.029 0.000 1.131 139 W HN 1.058 nan 8.180 nan 0.000 0.530 140 E N 0.815 120.978 120.200 -0.060 0.000 2.058 140 E HA -0.188 4.163 4.350 0.002 0.000 0.194 140 E C 2.192 178.581 176.600 -0.352 0.000 0.997 140 E CA 2.475 58.766 56.400 -0.181 0.000 0.801 140 E CB -0.727 28.837 29.700 -0.227 0.000 0.746 140 E HN 0.094 nan 8.360 nan 0.000 0.450 141 A N -0.233 122.236 122.820 -0.585 0.000 1.930 141 A HA -0.103 4.218 4.320 0.002 0.000 0.217 141 A C 2.203 179.575 177.584 -0.354 0.000 1.175 141 A CA 1.393 53.132 52.037 -0.497 0.000 0.627 141 A CB -0.927 17.788 19.000 -0.476 0.000 0.815 141 A HN 0.481 nan 8.150 nan 0.000 0.443 142 F N 1.912 121.571 119.950 -0.486 0.000 2.113 142 F HA -0.153 4.376 4.527 0.002 0.000 0.297 142 F C 2.568 178.046 175.800 -0.537 0.000 1.103 142 F CA 2.141 59.814 58.000 -0.546 0.000 1.248 142 F CB -0.290 38.276 39.000 -0.725 0.000 0.999 142 F HN 0.279 nan 8.300 nan 0.000 0.475 143 S N -0.832 114.364 115.700 -0.841 0.000 2.478 143 S HA 0.020 4.491 4.470 0.002 0.000 0.222 143 S C 0.857 175.236 174.600 -0.369 0.000 1.008 143 S CA -0.053 57.703 58.200 -0.739 0.000 0.928 143 S CB -0.700 62.227 63.200 -0.455 0.000 0.781 143 S HN 0.362 nan 8.310 nan 0.000 0.518 144 N N 1.923 120.502 118.700 -0.202 0.000 2.415 144 N HA 0.255 4.997 4.740 0.002 0.000 0.246 144 N C 0.370 175.891 175.510 0.018 0.000 1.078 144 N CA -0.176 52.882 53.050 0.014 0.000 0.942 144 N CB 0.568 39.211 38.487 0.261 0.000 1.140 144 N HN 0.371 nan 8.380 nan 0.000 0.501 145 L N 1.742 122.949 121.223 -0.028 0.000 2.554 145 L HA 0.031 4.373 4.340 0.002 0.000 0.226 145 L C 1.817 178.771 176.870 0.141 0.000 1.137 145 L CA 0.189 55.042 54.840 0.022 0.000 0.863 145 L CB -0.024 42.041 42.059 0.011 0.000 0.985 145 L HN 0.408 nan 8.230 nan 0.000 0.451 146 S N -1.364 114.371 115.700 0.059 0.000 2.453 146 S HA -0.016 4.455 4.470 0.002 0.000 0.231 146 S C 0.423 174.998 174.600 -0.041 0.000 1.005 146 S CA 0.447 58.646 58.200 -0.001 0.000 0.949 146 S CB -0.123 63.074 63.200 -0.005 0.000 0.774 146 S HN 0.218 nan 8.310 nan 0.000 0.510 147 Y N 0.494 120.767 120.300 -0.046 0.000 2.304 147 Y HA 0.296 4.847 4.550 0.002 0.000 0.327 147 Y C 0.190 176.008 175.900 -0.137 0.000 1.209 147 Y CA -0.946 57.006 58.100 -0.246 0.000 1.299 147 Y CB 0.226 38.539 38.460 -0.245 0.000 1.249 147 Y HN 0.064 nan 8.280 nan 0.000 0.519 148 Y N 0.842 121.193 120.300 0.084 0.000 2.397 148 Y HA 0.086 4.637 4.550 0.002 0.000 0.335 148 Y C 1.033 176.964 175.900 0.051 0.000 1.213 148 Y CA 0.023 58.187 58.100 0.106 0.000 1.391 148 Y CB 0.536 39.023 38.460 0.044 0.000 1.293 148 Y HN 0.547 nan 8.280 nan 0.000 0.557 149 T N 3.205 117.885 114.554 0.210 0.000 2.788 149 T HA 0.453 4.804 4.350 0.002 0.000 0.280 149 T C -0.361 174.406 174.700 0.112 0.000 0.984 149 T CA -0.722 61.427 62.100 0.082 0.000 0.972 149 T CB 0.356 69.230 68.868 0.010 0.000 1.039 149 T HN 0.432 nan 8.240 nan 0.000 0.530 150 R N 0.894 121.460 120.500 0.110 0.000 2.575 150 R HA 0.561 4.903 4.340 0.002 0.000 0.293 150 R C 0.635 177.069 176.300 0.223 0.000 0.983 150 R CA -0.476 55.713 56.100 0.148 0.000 0.887 150 R CB 1.478 31.852 30.300 0.123 0.000 1.184 150 R HN 0.718 nan 8.270 nan 0.000 0.445 151 A N 3.709 126.705 122.820 0.293 0.000 1.968 151 A HA 0.122 4.443 4.320 0.002 0.000 0.217 151 A C 0.713 178.413 177.584 0.194 0.000 1.169 151 A CA 0.981 53.218 52.037 0.333 0.000 0.638 151 A CB 0.187 19.564 19.000 0.628 0.000 0.812 151 A HN 0.478 nan 8.150 nan 0.000 0.446 152 L N 0.415 121.710 121.223 0.119 0.000 2.362 152 L HA 0.385 4.726 4.340 0.002 0.000 0.271 152 L C -2.502 174.277 176.870 -0.151 0.000 1.002 152 L CA -2.605 52.154 54.840 -0.135 0.000 0.818 152 L CB 2.450 44.213 42.059 -0.494 0.000 1.298 152 L HN 0.014 nan 8.230 nan 0.000 0.420 153 P HA 0.161 nan 4.420 nan 0.000 0.272 153 P C -2.681 174.489 177.300 -0.218 0.000 1.223 153 P CA -1.327 61.512 63.100 -0.436 0.000 0.784 153 P CB -0.184 31.038 31.700 -0.796 0.000 0.923 154 P HA 0.014 nan 4.420 nan 0.000 0.272 154 P C -0.211 177.047 177.300 -0.071 0.000 1.230 154 P CA -0.005 63.072 63.100 -0.038 0.000 0.788 154 P CB 0.299 32.003 31.700 0.006 0.000 0.949 155 V N 1.494 121.396 119.914 -0.020 0.000 2.585 155 V HA 0.139 4.260 4.120 0.002 0.000 0.296 155 V C 1.230 177.302 176.094 -0.036 0.000 1.035 155 V CA -0.137 62.142 62.300 -0.035 0.000 1.084 155 V CB -0.300 31.527 31.823 0.007 0.000 0.953 155 V HN 0.734 nan 8.190 nan 0.000 0.483 156 A N 3.751 126.528 122.820 -0.072 0.000 2.520 156 A HA 0.102 4.424 4.320 0.002 0.000 0.235 156 A C 1.196 178.790 177.584 0.016 0.000 1.065 156 A CA -0.215 51.791 52.037 -0.051 0.000 0.764 156 A CB -0.044 18.900 19.000 -0.092 0.000 1.002 156 A HN 0.913 nan 8.150 nan 0.000 0.502 157 D N 0.798 121.222 120.400 0.039 0.000 2.182 157 D HA -0.152 4.489 4.640 0.002 0.000 0.201 157 D C 1.018 177.355 176.300 0.062 0.000 0.986 157 D CA 1.912 55.942 54.000 0.051 0.000 0.847 157 D CB -0.095 40.738 40.800 0.055 0.000 0.942 157 D HN 0.795 nan 8.370 nan 0.000 0.467 158 D N -0.365 120.090 120.400 0.091 0.000 2.339 158 D HA -0.041 4.601 4.640 0.002 0.000 0.217 158 D C 0.231 176.587 176.300 0.093 0.000 1.050 158 D CA -0.358 53.707 54.000 0.108 0.000 0.856 158 D CB -0.862 40.030 40.800 0.153 0.000 0.922 158 D HN 0.007 nan 8.370 nan 0.000 0.518 159 c N 2.841 121.470 118.600 0.048 0.000 2.597 159 c HA 0.040 4.612 4.570 0.002 0.000 0.412 159 c C -0.363 173.655 174.090 -0.120 0.000 1.348 159 c CA -0.788 55.500 56.329 -0.069 0.000 1.769 159 c CB 0.694 43.175 42.510 -0.048 0.000 2.641 159 c HN 0.340 nan 8.230 nan 0.000 0.612 160 P HA -0.039 nan 4.420 nan 0.000 0.222 160 P C 0.411 177.663 177.300 -0.079 0.000 1.147 160 P CA 1.356 64.361 63.100 -0.158 0.000 0.790 160 P CB 0.157 31.722 31.700 -0.224 0.000 0.780 161 T N -0.556 113.953 114.554 -0.076 0.000 2.900 161 T HA 0.362 4.713 4.350 0.002 0.000 0.295 161 T C -2.143 172.554 174.700 -0.006 0.000 1.044 161 T CA -1.592 60.491 62.100 -0.028 0.000 0.995 161 T CB 2.187 71.042 68.868 -0.022 0.000 1.072 161 T HN -0.296 nan 8.240 nan 0.000 0.473 162 P HA -0.051 nan 4.420 nan 0.000 0.216 162 P C 1.266 178.597 177.300 0.052 0.000 1.150 162 P CA 1.230 64.353 63.100 0.040 0.000 0.843 162 P CB 0.138 31.871 31.700 0.055 0.000 0.787 163 M N -2.645 116.987 119.600 0.054 0.000 2.495 163 M HA 0.287 4.768 4.480 0.002 0.000 0.237 163 M C 1.331 177.641 176.300 0.016 0.000 1.131 163 M CA 0.682 56.015 55.300 0.056 0.000 1.032 163 M CB -0.435 32.212 32.600 0.078 0.000 1.513 163 M HN 0.109 nan 8.290 nan 0.000 0.488 164 G N 0.400 109.196 108.800 -0.006 0.000 1.676 164 G HA2 -0.208 3.754 3.960 0.002 0.000 0.199 164 G HA3 -0.208 3.754 3.960 0.002 0.000 0.199 164 G C 0.344 175.203 174.900 -0.068 0.000 1.990 164 G CA 0.299 45.377 45.100 -0.036 0.000 1.393 164 G HN 0.315 nan 8.290 nan 0.000 0.449 165 V N -1.294 118.593 119.914 -0.045 0.000 3.539 165 V HA 0.532 4.654 4.120 0.002 0.000 0.262 165 V C 0.807 176.894 176.094 -0.012 0.000 1.381 165 V CA 1.235 63.507 62.300 -0.047 0.000 1.060 165 V CB 0.112 31.923 31.823 -0.020 0.000 0.842 165 V HN 0.411 nan 8.190 nan 0.000 0.445 166 K N 1.563 121.966 120.400 0.005 0.000 2.126 166 K HA 0.599 4.920 4.320 0.002 0.000 0.257 166 K C 0.675 177.301 176.600 0.043 0.000 1.007 166 K CA 0.668 56.970 56.287 0.026 0.000 0.928 166 K CB 0.836 33.354 32.500 0.030 0.000 1.013 166 K HN 0.758 nan 8.250 nan 0.000 0.473 167 G N 1.283 110.118 108.800 0.058 0.000 2.725 167 G HA2 -0.263 3.698 3.960 0.002 0.000 0.220 167 G HA3 -0.263 3.698 3.960 0.002 0.000 0.220 167 G C -0.774 174.157 174.900 0.052 0.000 1.357 167 G CA -0.658 44.488 45.100 0.077 0.000 0.866 167 G HN 0.732 nan 8.290 nan 0.000 0.548 168 N N -0.610 118.121 118.700 0.051 0.000 2.381 168 N HA 0.417 5.158 4.740 0.002 0.000 0.254 168 N C 1.441 176.963 175.510 0.019 0.000 1.264 168 N CA 0.068 53.134 53.050 0.027 0.000 0.942 168 N CB 0.906 39.401 38.487 0.013 0.000 1.190 168 N HN 0.571 nan 8.380 nan 0.000 0.495 169 K N -0.012 120.394 120.400 0.009 0.000 2.280 169 K HA -0.030 4.292 4.320 0.002 0.000 0.202 169 K C -0.176 176.427 176.600 0.005 0.000 1.047 169 K CA 0.991 57.281 56.287 0.005 0.000 0.942 169 K CB -0.201 32.300 32.500 0.003 0.000 0.739 169 K HN 0.526 nan 8.250 nan 0.000 0.457 170 E N -1.119 119.081 120.200 0.000 0.000 2.343 170 E HA 0.472 4.824 4.350 0.002 0.000 0.270 170 E C -0.545 176.047 176.600 -0.014 0.000 0.895 170 E CA -0.692 55.705 56.400 -0.005 0.000 0.767 170 E CB 1.815 31.505 29.700 -0.016 0.000 1.248 170 E HN 0.359 nan 8.360 nan 0.000 0.440 171 L N 2.701 123.917 121.223 -0.012 0.000 2.464 171 L HA 0.354 4.695 4.340 0.002 0.000 0.264 171 L C -1.672 175.120 176.870 -0.129 0.000 1.199 171 L CA -1.596 53.218 54.840 -0.043 0.000 0.818 171 L CB 0.300 42.370 42.059 0.017 0.000 1.102 171 L HN 0.452 nan 8.230 nan 0.000 0.473 172 P HA -0.082 nan 4.420 nan 0.000 0.268 172 P C -0.701 176.492 177.300 -0.178 0.000 1.208 172 P CA -0.203 62.724 63.100 -0.289 0.000 0.777 172 P CB 0.363 31.738 31.700 -0.541 0.000 0.875 173 D N 0.891 121.215 120.400 -0.126 0.000 2.525 173 D HA -0.079 4.563 4.640 0.002 0.000 0.235 173 D C 1.283 177.542 176.300 -0.068 0.000 1.137 173 D CA 0.483 54.436 54.000 -0.079 0.000 0.868 173 D CB 0.828 41.590 40.800 -0.063 0.000 1.180 173 D HN 0.187 nan 8.370 nan 0.000 0.465 174 S N 3.221 118.897 115.700 -0.040 0.000 2.353 174 S HA -0.196 4.276 4.470 0.002 0.000 0.222 174 S C 1.739 176.333 174.600 -0.010 0.000 1.035 174 S CA 1.251 59.441 58.200 -0.016 0.000 1.025 174 S CB 0.005 63.196 63.200 -0.016 0.000 0.902 174 S HN 0.572 nan 8.310 nan 0.000 0.440 175 K N 0.572 120.961 120.400 -0.019 0.000 2.097 175 K HA -0.111 4.211 4.320 0.002 0.000 0.206 175 K C 2.172 178.762 176.600 -0.017 0.000 1.049 175 K CA 1.470 57.748 56.287 -0.016 0.000 0.933 175 K CB -0.188 32.299 32.500 -0.021 0.000 0.717 175 K HN 0.424 nan 8.250 nan 0.000 0.442 176 E N -0.063 120.119 120.200 -0.029 0.000 2.051 176 E HA -0.168 4.183 4.350 0.002 0.000 0.192 176 E C 1.887 178.472 176.600 -0.024 0.000 0.991 176 E CA 1.357 57.735 56.400 -0.035 0.000 0.799 176 E CB 0.146 29.811 29.700 -0.058 0.000 0.748 176 E HN 0.098 nan 8.360 nan 0.000 0.449 177 V N 1.336 121.239 119.914 -0.018 0.000 2.287 177 V HA -0.281 3.841 4.120 0.002 0.000 0.248 177 V C 2.445 178.562 176.094 0.038 0.000 1.053 177 V CA 1.745 64.061 62.300 0.027 0.000 1.027 177 V CB -0.575 31.294 31.823 0.077 0.000 0.646 177 V HN 0.343 nan 8.190 nan 0.000 0.447 178 L N 0.220 121.464 121.223 0.035 0.000 1.989 178 L HA -0.207 4.135 4.340 0.002 0.000 0.211 178 L C 2.418 179.298 176.870 0.017 0.000 1.071 178 L CA 2.127 56.989 54.840 0.036 0.000 0.749 178 L CB -0.673 41.404 42.059 0.029 0.000 0.890 178 L HN 0.374 nan 8.230 nan 0.000 0.431 179 E N -0.609 119.594 120.200 0.004 0.000 2.072 179 E HA -0.199 4.152 4.350 0.002 0.000 0.190 179 E C 2.178 178.776 176.600 -0.004 0.000 0.982 179 E CA 1.155 57.554 56.400 -0.003 0.000 0.803 179 E CB -0.081 29.613 29.700 -0.009 0.000 0.755 179 E HN 0.506 nan 8.360 nan 0.000 0.453 180 K N 0.122 120.518 120.400 -0.006 0.000 2.148 180 K HA -0.051 4.270 4.320 0.002 0.000 0.204 180 K C 1.687 178.282 176.600 -0.007 0.000 1.050 180 K CA 0.782 57.062 56.287 -0.011 0.000 0.942 180 K CB 0.410 32.900 32.500 -0.018 0.000 0.724 180 K HN -0.029 nan 8.250 nan 0.000 0.446 181 V N -0.331 119.584 119.914 0.001 0.000 3.408 181 V HA 0.072 4.194 4.120 0.002 0.000 0.263 181 V C 1.059 177.151 176.094 -0.004 0.000 1.503 181 V CA 0.207 62.507 62.300 -0.001 0.000 1.046 181 V CB 0.623 32.453 31.823 0.012 0.000 0.851 181 V HN 0.136 nan 8.190 nan 0.000 0.435 182 L N -0.777 120.450 121.223 0.006 0.000 2.467 182 L HA 0.335 4.677 4.340 0.002 0.000 0.213 182 L C 0.628 177.509 176.870 0.019 0.000 1.053 182 L CA 0.279 55.125 54.840 0.010 0.000 0.847 182 L CB 0.234 42.312 42.059 0.031 0.000 1.075 182 L HN 0.127 nan 8.230 nan 0.000 0.479 183 L N 1.577 122.810 121.223 0.016 0.000 2.453 183 L HA 0.069 4.410 4.340 0.002 0.000 0.272 183 L C 0.783 177.662 176.870 0.015 0.000 1.182 183 L CA 0.073 54.923 54.840 0.016 0.000 0.858 183 L CB 0.328 42.391 42.059 0.006 0.000 1.120 183 L HN 0.207 nan 8.230 nan 0.000 0.474 184 R N 2.619 123.135 120.500 0.026 0.000 2.489 184 R HA 0.054 4.395 4.340 0.002 0.000 0.287 184 R C 0.598 176.915 176.300 0.028 0.000 1.053 184 R CA -0.401 55.719 56.100 0.034 0.000 1.036 184 R CB 0.647 30.989 30.300 0.070 0.000 0.966 184 R HN 0.578 nan 8.270 nan 0.000 0.432 185 R N 2.851 123.363 120.500 0.021 0.000 2.039 185 R HA 0.095 4.436 4.340 0.002 0.000 0.218 185 R C 0.294 176.616 176.300 0.037 0.000 1.220 185 R CA 0.881 56.993 56.100 0.020 0.000 0.993 185 R CB -0.572 29.733 30.300 0.008 0.000 0.881 185 R HN 0.665 nan 8.270 nan 0.000 0.450 186 E N 0.281 120.503 120.200 0.036 0.000 2.227 186 E HA 0.208 4.559 4.350 0.002 0.000 0.268 186 E C -1.304 175.349 176.600 0.088 0.000 0.907 186 E CA -0.853 55.585 56.400 0.064 0.000 0.786 186 E CB 1.290 31.013 29.700 0.039 0.000 1.191 186 E HN -0.064 nan 8.360 nan 0.000 0.411 187 F N 4.799 124.741 119.950 -0.013 0.000 2.571 187 F HA 0.184 4.713 4.527 0.003 0.000 0.384 187 F C -0.556 175.230 175.800 -0.024 0.000 1.058 187 F CA 0.226 58.216 58.000 -0.018 0.000 1.200 187 F CB 0.182 39.168 39.000 -0.023 0.000 1.077 187 F HN 0.335 nan 8.300 nan 0.000 0.558 188 I N 9.596 129.761 120.570 -0.675 0.000 2.306 188 I HA 0.248 4.420 4.170 0.002 0.000 0.288 188 I C -2.028 173.503 176.117 -0.978 0.000 1.036 188 I CA -2.117 58.823 61.300 -0.600 0.000 1.221 188 I CB 0.857 38.664 38.000 -0.321 0.000 1.385 188 I HN 0.448 nan 8.210 nan 0.000 0.472 189 P HA 0.016 nan 4.420 nan 0.000 0.272 189 P C -0.706 176.396 177.300 -0.329 0.000 1.223 189 P CA -0.258 62.498 63.100 -0.573 0.000 0.784 189 P CB 0.782 32.390 31.700 -0.154 0.000 0.923 190 D N 2.986 123.249 120.400 -0.229 0.000 2.401 190 D HA 0.031 4.672 4.640 0.002 0.000 0.254 190 D C -1.125 175.069 176.300 -0.176 0.000 1.192 190 D CA -1.789 52.080 54.000 -0.218 0.000 0.885 190 D CB 0.347 41.017 40.800 -0.217 0.000 1.147 190 D HN 0.177 nan 8.370 nan 0.000 0.478 191 P HA -0.146 nan 4.420 nan 0.000 0.223 191 P C 0.942 178.156 177.300 -0.145 0.000 1.151 191 P CA 0.934 63.948 63.100 -0.143 0.000 0.787 191 P CB 0.300 31.916 31.700 -0.140 0.000 0.788 192 Q N -0.995 118.682 119.800 -0.205 0.000 2.435 192 Q HA 0.111 4.452 4.340 0.002 0.000 0.207 192 Q C 1.115 177.045 176.000 -0.116 0.000 0.956 192 Q CA 0.784 56.453 55.803 -0.223 0.000 0.917 192 Q CB -0.315 28.181 28.738 -0.403 0.000 0.997 192 Q HN 0.305 nan 8.270 nan 0.000 0.497 193 G N 0.588 109.338 108.800 -0.083 0.000 2.131 193 G HA2 -0.228 3.734 3.960 0.002 0.000 0.223 193 G HA3 -0.228 3.734 3.960 0.002 0.000 0.223 193 G C -0.045 174.867 174.900 0.020 0.000 0.990 193 G CA 0.142 45.239 45.100 -0.006 0.000 0.671 193 G HN 0.254 nan 8.290 nan 0.000 0.521 194 S N 1.178 116.863 115.700 -0.026 0.000 2.546 194 S HA 0.372 4.843 4.470 0.002 0.000 0.290 194 S C 0.841 175.450 174.600 0.016 0.000 1.290 194 S CA 0.605 58.755 58.200 -0.082 0.000 1.069 194 S CB 0.645 63.659 63.200 -0.310 0.000 0.846 194 S HN 0.982 nan 8.310 nan 0.000 0.495 195 N N 2.023 120.778 118.700 0.090 0.000 2.725 195 N HA 0.356 5.097 4.740 0.002 0.000 0.312 195 N C 0.638 176.279 175.510 0.219 0.000 1.295 195 N CA -0.888 52.259 53.050 0.162 0.000 0.914 195 N CB -0.001 38.589 38.487 0.172 0.000 1.177 195 N HN 0.272 nan 8.380 nan 0.000 0.601 196 M N -0.455 119.247 119.600 0.170 0.000 2.394 196 M HA 0.095 4.576 4.480 0.002 0.000 0.264 196 M C 1.425 177.861 176.300 0.227 0.000 1.073 196 M CA 0.947 56.260 55.300 0.021 0.000 1.111 196 M CB -0.947 31.530 32.600 -0.205 0.000 1.401 196 M HN 0.523 nan 8.290 nan 0.000 0.448 197 M N -1.006 118.845 119.600 0.419 0.000 2.117 197 M HA -0.178 4.304 4.480 0.002 0.000 0.262 197 M C 2.268 179.008 176.300 0.734 0.000 1.065 197 M CA 1.526 57.192 55.300 0.610 0.000 1.114 197 M CB -1.408 31.494 32.600 0.504 0.000 1.361 197 M HN 0.217 nan 8.290 nan 0.000 0.408 198 F N 1.141 121.348 119.950 0.427 0.000 2.146 198 F HA -0.093 4.435 4.527 0.002 0.000 0.298 198 F C 2.310 178.232 175.800 0.202 0.000 1.096 198 F CA 1.661 59.730 58.000 0.114 0.000 1.275 198 F CB -0.274 38.691 39.000 -0.058 0.000 1.008 198 F HN 0.099 nan 8.300 nan 0.000 0.480 199 A N -0.011 122.943 122.820 0.224 0.000 1.902 199 A HA -0.137 4.184 4.320 0.002 0.000 0.217 199 A C 1.975 179.518 177.584 -0.069 0.000 1.181 199 A CA 1.663 53.721 52.037 0.034 0.000 0.623 199 A CB -1.419 17.534 19.000 -0.080 0.000 0.818 199 A HN 0.433 nan 8.150 nan 0.000 0.443 200 F N -1.821 118.237 119.950 0.181 0.000 2.367 200 F HA 0.056 4.584 4.527 0.002 0.000 0.298 200 F C 1.880 177.737 175.800 0.096 0.000 1.094 200 F CA 0.434 58.547 58.000 0.189 0.000 1.409 200 F CB -0.695 38.479 39.000 0.290 0.000 1.064 200 F HN 0.333 nan 8.300 nan 0.000 0.528 201 F N 0.775 120.752 119.950 0.045 0.000 2.102 201 F HA -0.163 4.365 4.527 0.002 0.000 0.298 201 F C 2.418 178.051 175.800 -0.278 0.000 1.105 201 F CA 1.452 59.189 58.000 -0.438 0.000 1.239 201 F CB -0.589 38.197 39.000 -0.356 0.000 0.991 201 F HN -0.075 nan 8.300 nan 0.000 0.474 202 A N -0.186 122.626 122.820 -0.014 0.000 1.892 202 A HA -0.322 3.999 4.320 0.002 0.000 0.218 202 A C 2.217 179.720 177.584 -0.135 0.000 1.188 202 A CA 2.130 54.174 52.037 0.012 0.000 0.631 202 A CB -1.163 17.922 19.000 0.143 0.000 0.822 202 A HN 0.615 nan 8.150 nan 0.000 0.447 203 Q N -1.568 118.168 119.800 -0.107 0.000 2.016 203 Q HA -0.230 4.111 4.340 0.002 0.000 0.200 203 Q C 2.193 178.002 176.000 -0.319 0.000 0.978 203 Q CA 1.570 57.242 55.803 -0.219 0.000 0.833 203 Q CB -0.357 28.303 28.738 -0.129 0.000 0.895 203 Q HN 0.885 nan 8.270 nan 0.000 0.427 204 H N -0.437 118.422 119.070 -0.351 0.000 2.267 204 H HA -0.200 4.357 4.556 0.003 0.000 0.297 204 H C 2.045 177.224 175.328 -0.249 0.000 1.080 204 H CA 2.011 57.835 56.048 -0.372 0.000 1.278 204 H CB -0.433 29.077 29.762 -0.421 0.000 1.365 204 H HN 0.348 nan 8.280 nan 0.000 0.489 205 F N 2.030 121.611 119.950 -0.615 0.000 2.065 205 F HA -0.253 4.275 4.527 0.002 0.000 0.298 205 F C 2.842 178.044 175.800 -0.996 0.000 1.112 205 F CA 2.746 60.272 58.000 -0.791 0.000 1.212 205 F CB -0.985 37.462 39.000 -0.922 0.000 0.975 205 F HN 0.295 nan 8.300 nan 0.000 0.476 206 T N -3.093 110.731 114.554 -1.217 0.000 2.995 206 T HA -0.159 4.192 4.350 0.002 0.000 0.269 206 T C 1.732 175.511 174.700 -1.535 0.000 1.091 206 T CA 1.484 62.443 62.100 -1.903 0.000 1.128 206 T CB -1.050 67.015 68.868 -1.338 0.000 0.891 206 T HN 0.563 nan 8.240 nan 0.000 0.492 207 H N 1.418 119.929 119.070 -0.932 0.000 2.553 207 H HA 0.070 4.628 4.556 0.003 0.000 0.269 207 H C 2.442 177.376 175.328 -0.658 0.000 1.011 207 H CA 0.772 56.485 56.048 -0.558 0.000 1.150 207 H CB 0.206 29.912 29.762 -0.094 0.000 1.339 207 H HN 0.741 nan 8.280 nan 0.000 0.604 208 Q N 0.674 119.897 119.800 -0.963 0.000 2.212 208 Q HA -0.072 4.269 4.340 0.002 0.000 0.199 208 Q C 1.210 176.809 176.000 -0.668 0.000 0.950 208 Q CA 1.011 56.297 55.803 -0.862 0.000 0.863 208 Q CB -0.176 27.839 28.738 -1.207 0.000 0.944 208 Q HN 0.529 nan 8.270 nan 0.000 0.465 209 F N -2.527 116.982 119.950 -0.735 0.000 2.724 209 F HA 0.464 4.993 4.527 0.003 0.000 0.306 209 F C -0.148 175.351 175.800 -0.502 0.000 1.100 209 F CA -1.105 56.512 58.000 -0.639 0.000 1.255 209 F CB 0.424 39.032 39.000 -0.653 0.000 1.072 209 F HN -0.216 nan 8.300 nan 0.000 0.589 210 F N 3.865 123.557 119.950 -0.430 0.000 2.309 210 F HA 0.444 4.973 4.527 0.002 0.000 0.366 210 F C -0.142 175.419 175.800 -0.398 0.000 1.104 210 F CA -1.618 56.182 58.000 -0.333 0.000 1.179 210 F CB 0.453 39.119 39.000 -0.556 0.000 1.437 210 F HN -0.038 nan 8.300 nan 0.000 0.528 211 K N 1.858 122.215 120.400 -0.071 0.000 2.687 211 K HA 0.259 4.580 4.320 0.002 0.000 0.197 211 K C -0.382 176.141 176.600 -0.129 0.000 1.049 211 K CA -0.375 55.810 56.287 -0.170 0.000 1.030 211 K CB 1.011 33.376 32.500 -0.226 0.000 1.261 211 K HN 0.265 nan 8.250 nan 0.000 0.565 212 T N 1.478 115.975 114.554 -0.094 0.000 2.853 212 T HA -0.033 4.318 4.350 0.002 0.000 0.298 212 T C 0.144 174.667 174.700 -0.294 0.000 0.978 212 T CA 0.152 62.150 62.100 -0.171 0.000 1.152 212 T CB 0.434 69.120 68.868 -0.303 0.000 0.914 212 T HN 0.287 nan 8.240 nan 0.000 0.539 213 D N 1.700 121.968 120.400 -0.220 0.000 2.517 213 D HA 0.027 4.668 4.640 0.002 0.000 0.220 213 D C 1.163 177.379 176.300 -0.139 0.000 1.158 213 D CA -0.282 53.622 54.000 -0.159 0.000 0.992 213 D CB 0.004 40.723 40.800 -0.135 0.000 1.058 213 D HN 0.531 nan 8.370 nan 0.000 0.516 214 H N 2.242 121.305 119.070 -0.011 0.000 2.521 214 H HA -0.095 4.463 4.556 0.002 0.000 0.286 214 H C 2.025 177.336 175.328 -0.029 0.000 1.034 214 H CA 1.384 57.430 56.048 -0.003 0.000 1.278 214 H CB 0.270 30.031 29.762 -0.002 0.000 1.386 214 H HN 0.470 nan 8.280 nan 0.000 0.567 215 K N 1.686 122.103 120.400 0.028 0.000 2.097 215 K HA -0.097 4.224 4.320 0.002 0.000 0.205 215 K C 2.280 178.818 176.600 -0.103 0.000 1.050 215 K CA 1.161 57.426 56.287 -0.035 0.000 0.938 215 K CB -0.269 32.192 32.500 -0.064 0.000 0.718 215 K HN 0.343 nan 8.250 nan 0.000 0.442 216 R N -1.625 118.761 120.500 -0.190 0.000 2.156 216 R HA 0.274 4.615 4.340 0.002 0.000 0.207 216 R C 0.680 176.855 176.300 -0.208 0.000 1.040 216 R CA 0.617 56.465 56.100 -0.419 0.000 1.013 216 R CB 0.569 30.312 30.300 -0.928 0.000 0.931 216 R HN 0.570 nan 8.270 nan 0.000 0.465 217 G N -0.388 108.444 108.800 0.053 0.000 2.347 217 G HA2 -0.077 3.885 3.960 0.002 0.000 0.321 217 G HA3 -0.077 3.885 3.960 0.002 0.000 0.321 217 G C -2.601 172.444 174.900 0.242 0.000 1.412 217 G CA -0.953 44.288 45.100 0.235 0.000 0.990 217 G HN -0.222 nan 8.290 nan 0.000 0.637 218 P HA 0.041 nan 4.420 nan 0.000 0.223 218 P C 1.622 179.006 177.300 0.140 0.000 1.151 218 P CA 1.590 64.748 63.100 0.096 0.000 0.787 218 P CB 0.069 31.805 31.700 0.060 0.000 0.788 219 G N -1.725 107.142 108.800 0.112 0.000 2.920 219 G HA2 0.099 4.060 3.960 0.002 0.000 0.208 219 G HA3 0.099 4.060 3.960 0.002 0.000 0.208 219 G C -0.012 174.759 174.900 -0.215 0.000 1.159 219 G CA -0.094 45.003 45.100 -0.006 0.000 0.784 219 G HN 0.158 nan 8.290 nan 0.000 0.535 220 F N -0.700 119.244 119.950 -0.009 0.000 2.522 220 F HA 0.621 5.149 4.527 0.002 0.000 0.324 220 F C 0.362 175.884 175.800 -0.463 0.000 1.077 220 F CA -0.807 57.038 58.000 -0.258 0.000 0.944 220 F CB 2.504 41.338 39.000 -0.276 0.000 1.175 220 F HN -0.185 nan 8.300 nan 0.000 0.468 221 T N 0.864 115.128 114.554 -0.484 0.000 2.908 221 T HA 0.411 4.762 4.350 0.002 0.000 0.290 221 T C 0.616 175.107 174.700 -0.348 0.000 1.034 221 T CA -0.558 61.153 62.100 -0.649 0.000 1.010 221 T CB 1.292 69.469 68.868 -1.152 0.000 1.068 221 T HN 0.714 nan 8.240 nan 0.000 0.481 222 R N 1.728 122.054 120.500 -0.290 0.000 2.312 222 R HA 0.229 4.571 4.340 0.002 0.000 0.205 222 R C 1.301 177.454 176.300 -0.244 0.000 0.904 222 R CA 0.032 55.998 56.100 -0.223 0.000 1.052 222 R CB 0.397 30.590 30.300 -0.178 0.000 1.014 222 R HN 0.624 nan 8.270 nan 0.000 0.503 223 G N 1.124 109.731 108.800 -0.320 0.000 3.064 223 G HA2 0.151 4.112 3.960 0.002 0.000 0.286 223 G HA3 0.151 4.112 3.960 0.002 0.000 0.286 223 G C 0.682 175.326 174.900 -0.426 0.000 0.834 223 G CA -0.374 44.528 45.100 -0.329 0.000 1.856 223 G HN 0.155 nan 8.290 nan 0.000 0.559 224 L N 1.477 122.541 121.223 -0.265 0.000 2.551 224 L HA 0.045 4.387 4.340 0.002 0.000 0.228 224 L C 2.492 179.336 176.870 -0.043 0.000 1.153 224 L CA 0.732 55.478 54.840 -0.156 0.000 0.851 224 L CB 0.130 42.144 42.059 -0.076 0.000 0.959 224 L HN 0.524 nan 8.230 nan 0.000 0.451 225 G N -2.487 106.256 108.800 -0.095 0.000 2.880 225 G HA2 -0.102 3.860 3.960 0.002 0.000 0.209 225 G HA3 -0.102 3.860 3.960 0.002 0.000 0.209 225 G C 0.606 175.522 174.900 0.028 0.000 1.157 225 G CA -0.264 44.823 45.100 -0.022 0.000 0.779 225 G HN 0.532 nan 8.290 nan 0.000 0.539 226 H N -0.364 118.662 119.070 -0.075 0.000 2.594 226 H HA -0.179 4.379 4.556 0.002 0.000 0.316 226 H C 1.169 176.435 175.328 -0.104 0.000 1.107 226 H CA 1.224 57.229 56.048 -0.072 0.000 1.133 226 H CB -1.306 28.412 29.762 -0.073 0.000 1.459 226 H HN 0.751 nan 8.280 nan 0.000 0.411 227 G N -1.726 107.041 108.800 -0.054 0.000 2.399 227 G HA2 0.209 4.171 3.960 0.002 0.000 0.256 227 G HA3 0.209 4.171 3.960 0.002 0.000 0.256 227 G C -0.785 174.084 174.900 -0.051 0.000 1.236 227 G CA -0.256 44.764 45.100 -0.132 0.000 0.914 227 G HN 0.147 nan 8.290 nan 0.000 0.482 228 V N 2.459 122.355 119.914 -0.031 0.000 2.153 228 V HA 0.258 4.379 4.120 0.002 0.000 0.250 228 V C 0.542 176.652 176.094 0.026 0.000 1.334 228 V CA 0.831 63.142 62.300 0.019 0.000 1.249 228 V CB 0.081 31.968 31.823 0.107 0.000 1.371 228 V HN 0.750 nan 8.190 nan 0.000 0.498 229 D N 2.363 122.761 120.400 -0.003 0.000 2.389 229 D HA 0.060 4.702 4.640 0.002 0.000 0.206 229 D C 0.873 177.228 176.300 0.092 0.000 1.055 229 D CA -0.408 53.611 54.000 0.033 0.000 0.856 229 D CB 0.245 41.052 40.800 0.013 0.000 0.957 229 D HN 0.219 nan 8.370 nan 0.000 0.509 230 L N 0.584 121.845 121.223 0.063 0.000 3.898 230 L HA -0.282 4.060 4.340 0.002 0.000 0.407 230 L C 0.880 177.912 176.870 0.270 0.000 1.207 230 L CA 0.765 55.728 54.840 0.205 0.000 0.931 230 L CB -2.874 39.344 42.059 0.264 0.000 2.014 230 L HN 0.373 nan 8.230 nan 0.000 0.858 231 N N -0.998 117.774 118.700 0.120 0.000 2.364 231 N HA -0.194 4.548 4.740 0.002 0.000 0.183 231 N C 1.687 177.212 175.510 0.026 0.000 1.022 231 N CA 1.627 54.718 53.050 0.070 0.000 0.883 231 N CB -0.312 38.153 38.487 -0.036 0.000 0.965 231 N HN 0.726 nan 8.380 nan 0.000 0.438 232 H N -0.502 118.418 119.070 -0.250 0.000 2.546 232 H HA 0.103 4.660 4.556 0.003 0.000 0.277 232 H C 1.374 176.569 175.328 -0.223 0.000 1.004 232 H CA 0.749 56.589 56.048 -0.346 0.000 1.231 232 H CB -0.354 29.157 29.762 -0.419 0.000 1.382 232 H HN 0.450 nan 8.280 nan 0.000 0.580 233 I N -1.156 119.230 120.570 -0.308 0.000 3.300 233 I HA -0.035 4.136 4.170 0.002 0.000 0.279 233 I C 1.201 177.094 176.117 -0.373 0.000 1.172 233 I CA 0.173 61.199 61.300 -0.457 0.000 1.431 233 I CB 0.087 37.617 38.000 -0.783 0.000 1.240 233 I HN -0.027 nan 8.210 nan 0.000 0.453 234 Y N 1.389 121.689 120.300 -0.001 0.000 2.458 234 Y HA 0.465 5.017 4.550 0.003 0.000 0.254 234 Y C 1.178 177.101 175.900 0.038 0.000 1.120 234 Y CA 0.055 58.190 58.100 0.057 0.000 1.282 234 Y CB 0.099 38.634 38.460 0.124 0.000 1.109 234 Y HN 0.133 nan 8.280 nan 0.000 0.526 235 G N 0.887 109.749 108.800 0.103 0.000 2.719 235 G HA2 -0.238 3.724 3.960 0.002 0.000 0.686 235 G HA3 -0.238 3.724 3.960 0.002 0.000 0.686 235 G C 0.157 175.076 174.900 0.032 0.000 1.201 235 G CA -0.066 45.057 45.100 0.038 0.000 0.768 235 G HN 0.206 nan 8.290 nan 0.000 0.629 236 E N -0.280 119.904 120.200 -0.026 0.000 2.107 236 E HA 0.095 4.446 4.350 0.002 0.000 0.191 236 E C 1.851 178.432 176.600 -0.030 0.000 0.982 236 E CA 2.119 58.493 56.400 -0.043 0.000 0.809 236 E CB 0.037 29.687 29.700 -0.083 0.000 0.756 236 E HN 1.136 nan 8.360 nan 0.000 0.459 237 T N -1.749 112.786 114.554 -0.032 0.000 2.943 237 T HA 0.258 4.609 4.350 0.002 0.000 0.284 237 T C 0.984 175.653 174.700 -0.051 0.000 1.015 237 T CA -0.621 61.454 62.100 -0.042 0.000 1.042 237 T CB 1.367 70.205 68.868 -0.049 0.000 1.055 237 T HN 0.065 nan 8.240 nan 0.000 0.500 238 L N 1.129 122.295 121.223 -0.095 0.000 2.083 238 L HA 0.018 4.359 4.340 0.002 0.000 0.209 238 L C 2.167 178.880 176.870 -0.260 0.000 1.083 238 L CA 2.202 56.915 54.840 -0.213 0.000 0.752 238 L CB -0.973 40.930 42.059 -0.259 0.000 0.899 238 L HN 1.003 nan 8.230 nan 0.000 0.433 239 D N -1.009 119.307 120.400 -0.140 0.000 2.123 239 D HA -0.280 4.361 4.640 0.002 0.000 0.196 239 D C 2.386 178.685 176.300 -0.002 0.000 0.992 239 D CA 1.475 55.438 54.000 -0.063 0.000 0.833 239 D CB -0.096 40.681 40.800 -0.038 0.000 0.954 239 D HN 0.283 nan 8.370 nan 0.000 0.455 240 R N -0.144 120.351 120.500 -0.009 0.000 2.090 240 R HA -0.110 4.231 4.340 0.002 0.000 0.228 240 R C 2.437 178.766 176.300 0.047 0.000 1.110 240 R CA 1.184 57.294 56.100 0.018 0.000 0.973 240 R CB -0.216 30.083 30.300 -0.001 0.000 0.869 240 R HN 0.323 nan 8.270 nan 0.000 0.440 241 Q N -0.171 119.657 119.800 0.046 0.000 2.030 241 Q HA -0.229 4.112 4.340 0.002 0.000 0.204 241 Q C 1.582 177.646 176.000 0.106 0.000 0.986 241 Q CA 1.860 57.715 55.803 0.087 0.000 0.843 241 Q CB -0.179 28.615 28.738 0.094 0.000 0.904 241 Q HN 0.651 nan 8.270 nan 0.000 0.420 242 H N -0.508 118.567 119.070 0.008 0.000 2.489 242 H HA -0.053 4.505 4.556 0.002 0.000 0.293 242 H C 1.884 177.304 175.328 0.154 0.000 1.066 242 H CA 0.832 56.958 56.048 0.130 0.000 1.305 242 H CB 0.339 30.257 29.762 0.260 0.000 1.386 242 H HN 0.226 nan 8.280 nan 0.000 0.551 243 K N 0.452 120.970 120.400 0.196 0.000 2.228 243 K HA -0.021 4.301 4.320 0.002 0.000 0.202 243 K C 1.786 178.432 176.600 0.077 0.000 1.051 243 K CA 0.481 56.845 56.287 0.129 0.000 0.960 243 K CB 0.280 32.833 32.500 0.088 0.000 0.743 243 K HN 0.235 nan 8.250 nan 0.000 0.458 244 L N 0.314 121.563 121.223 0.044 0.000 2.446 244 L HA 0.028 4.369 4.340 0.002 0.000 0.219 244 L C 0.759 177.602 176.870 -0.046 0.000 1.116 244 L CA 0.190 55.041 54.840 0.018 0.000 0.844 244 L CB 0.062 42.143 42.059 0.036 0.000 0.970 244 L HN 0.012 nan 8.230 nan 0.000 0.457 245 R N -0.156 120.231 120.500 -0.190 0.000 2.490 245 R HA 0.111 4.452 4.340 0.002 0.000 0.278 245 R C 0.794 176.911 176.300 -0.304 0.000 1.069 245 R CA -0.435 55.407 56.100 -0.430 0.000 1.080 245 R CB 1.203 30.831 30.300 -1.120 0.000 1.030 245 R HN -0.082 nan 8.270 nan 0.000 0.491 246 L N 2.448 123.556 121.223 -0.191 0.000 2.270 246 L HA 0.116 4.457 4.340 0.002 0.000 0.210 246 L C 0.064 176.974 176.870 0.067 0.000 1.104 246 L CA 1.117 55.950 54.840 -0.011 0.000 0.804 246 L CB -0.149 41.958 42.059 0.080 0.000 0.937 246 L HN 0.771 nan 8.230 nan 0.000 0.450 247 F N -0.422 119.516 119.950 -0.021 0.000 3.084 247 F HA -0.288 4.241 4.527 0.003 0.000 0.286 247 F C 0.724 176.531 175.800 0.010 0.000 0.855 247 F CA 1.274 59.247 58.000 -0.045 0.000 1.091 247 F CB -1.734 37.207 39.000 -0.098 0.000 1.177 247 F HN 0.208 nan 8.300 nan 0.000 0.542 248 K N 0.689 121.178 120.400 0.149 0.000 2.471 248 K HA 0.326 4.647 4.320 0.002 0.000 0.252 248 K C 0.197 176.883 176.600 0.143 0.000 0.938 248 K CA -0.376 55.994 56.287 0.139 0.000 0.796 248 K CB 1.210 33.783 32.500 0.123 0.000 1.161 248 K HN 0.075 nan 8.250 nan 0.000 0.425 249 D N 2.872 123.359 120.400 0.146 0.000 3.039 249 D HA -0.208 4.433 4.640 0.002 0.000 0.222 249 D C 0.645 177.057 176.300 0.187 0.000 1.179 249 D CA 1.702 55.796 54.000 0.156 0.000 0.880 249 D CB -1.080 39.800 40.800 0.134 0.000 1.115 249 D HN 1.108 nan 8.370 nan 0.000 0.416 250 G N -0.364 108.560 108.800 0.207 0.000 2.184 250 G HA2 -0.375 3.586 3.960 0.002 0.000 0.264 250 G HA3 -0.375 3.586 3.960 0.002 0.000 0.264 250 G C 0.394 175.560 174.900 0.444 0.000 0.975 250 G CA 0.986 46.267 45.100 0.302 0.000 0.642 250 G HN 0.492 nan 8.290 nan 0.000 0.536 251 K N -0.468 120.121 120.400 0.315 0.000 2.098 251 K HA 0.697 5.019 4.320 0.002 0.000 0.244 251 K C 0.570 177.340 176.600 0.283 0.000 1.014 251 K CA -0.622 55.894 56.287 0.382 0.000 0.917 251 K CB 0.966 33.627 32.500 0.268 0.000 1.072 251 K HN 0.163 nan 8.250 nan 0.000 0.477 252 L N 1.640 123.027 121.223 0.274 0.000 2.343 252 L HA 0.291 4.632 4.340 0.002 0.000 0.275 252 L C 0.317 177.313 176.870 0.210 0.000 1.056 252 L CA -0.697 54.226 54.840 0.138 0.000 0.804 252 L CB 1.048 43.144 42.059 0.061 0.000 1.203 252 L HN 0.424 nan 8.230 nan 0.000 0.440 253 K N 1.751 122.228 120.400 0.127 0.000 2.380 253 K HA 0.248 4.570 4.320 0.002 0.000 0.267 253 K C -1.185 175.547 176.600 0.220 0.000 0.990 253 K CA 0.333 56.695 56.287 0.124 0.000 0.946 253 K CB 0.494 33.016 32.500 0.036 0.000 0.937 253 K HN 0.480 nan 8.250 nan 0.000 0.491 254 Y N -2.326 117.985 120.300 0.019 0.000 2.641 254 Y HA 0.222 4.773 4.550 0.002 0.000 0.333 254 Y C -1.438 174.473 175.900 0.018 0.000 1.174 254 Y CA -1.415 56.687 58.100 0.005 0.000 1.057 254 Y CB 0.947 39.400 38.460 -0.011 0.000 1.322 254 Y HN 0.599 nan 8.280 nan 0.000 0.457 255 Q N 0.884 120.734 119.800 0.084 0.000 2.359 255 Q HA 0.849 5.191 4.340 0.002 0.000 0.275 255 Q C -1.784 174.324 176.000 0.180 0.000 1.082 255 Q CA -1.380 54.447 55.803 0.040 0.000 0.849 255 Q CB 3.025 31.806 28.738 0.072 0.000 1.377 255 Q HN 0.589 nan 8.270 nan 0.000 0.452 256 V N 2.588 122.582 119.914 0.133 0.000 2.304 256 V HA 0.391 4.512 4.120 0.002 0.000 0.278 256 V C -0.625 175.557 176.094 0.145 0.000 1.018 256 V CA -0.478 61.917 62.300 0.158 0.000 0.814 256 V CB 0.667 32.574 31.823 0.139 0.000 1.021 256 V HN 0.646 nan 8.190 nan 0.000 0.440 257 I N 3.631 124.336 120.570 0.224 0.000 2.339 257 I HA 0.606 4.777 4.170 0.002 0.000 0.290 257 I C 1.225 177.449 176.117 0.179 0.000 0.994 257 I CA -0.310 61.101 61.300 0.184 0.000 1.191 257 I CB 1.521 39.621 38.000 0.165 0.000 1.343 257 I HN 0.777 nan 8.210 nan 0.000 0.458 258 G N 4.339 113.200 108.800 0.103 0.000 2.249 258 G HA2 -0.139 3.822 3.960 0.002 0.000 0.273 258 G HA3 -0.139 3.822 3.960 0.002 0.000 0.273 258 G C 1.002 175.941 174.900 0.065 0.000 1.036 258 G CA 0.536 45.683 45.100 0.078 0.000 0.824 258 G HN 1.543 nan 8.290 nan 0.000 0.504 259 G N -1.832 107.003 108.800 0.059 0.000 2.184 259 G HA2 -0.253 3.708 3.960 0.002 0.000 0.264 259 G HA3 -0.253 3.708 3.960 0.002 0.000 0.264 259 G C 0.097 175.001 174.900 0.007 0.000 0.975 259 G CA 0.933 46.053 45.100 0.033 0.000 0.642 259 G HN 0.948 nan 8.290 nan 0.000 0.536 260 E N 0.048 120.257 120.200 0.016 0.000 2.179 260 E HA 0.520 4.872 4.350 0.002 0.000 0.275 260 E C 0.083 176.548 176.600 -0.226 0.000 0.945 260 E CA -0.682 55.642 56.400 -0.128 0.000 0.792 260 E CB 2.214 31.837 29.700 -0.129 0.000 1.125 260 E HN 0.102 nan 8.360 nan 0.000 0.397 261 V N 4.485 124.183 119.914 -0.359 0.000 2.455 261 V HA 0.158 4.279 4.120 0.002 0.000 0.273 261 V C -0.637 175.120 176.094 -0.562 0.000 1.045 261 V CA 0.070 62.203 62.300 -0.279 0.000 0.976 261 V CB -0.401 31.265 31.823 -0.262 0.000 0.993 261 V HN 0.502 nan 8.190 nan 0.000 0.475 262 Y N 4.819 125.060 120.300 -0.099 0.000 2.633 262 Y HA 0.530 5.081 4.550 0.001 0.000 0.339 262 Y C -2.228 173.516 175.900 -0.260 0.000 1.045 262 Y CA -2.841 55.076 58.100 -0.304 0.000 1.098 262 Y CB 1.616 39.756 38.460 -0.533 0.000 1.296 262 Y HN 0.414 nan 8.280 nan 0.000 0.494 263 P HA 0.019 nan 4.420 nan 0.000 0.268 263 P C -2.489 174.796 177.300 -0.024 0.000 1.208 263 P CA -0.631 62.405 63.100 -0.107 0.000 0.777 263 P CB -0.004 31.625 31.700 -0.118 0.000 0.875 264 P HA 0.109 nan 4.420 nan 0.000 0.279 264 P C -0.307 177.096 177.300 0.171 0.000 1.282 264 P CA 0.011 63.171 63.100 0.100 0.000 0.788 264 P CB 0.435 32.175 31.700 0.066 0.000 1.139 265 T N -0.519 114.114 114.554 0.132 0.000 2.922 265 T HA 0.164 4.515 4.350 0.002 0.000 0.285 265 T C 1.634 176.385 174.700 0.086 0.000 1.005 265 T CA -0.518 61.655 62.100 0.122 0.000 1.061 265 T CB 0.528 69.435 68.868 0.065 0.000 1.007 265 T HN 0.018 nan 8.240 nan 0.000 0.502 266 V N 3.033 122.987 119.914 0.067 0.000 2.287 266 V HA -0.144 3.978 4.120 0.002 0.000 0.248 266 V C 2.517 178.628 176.094 0.028 0.000 1.053 266 V CA 1.884 64.218 62.300 0.057 0.000 1.027 266 V CB -0.502 31.352 31.823 0.053 0.000 0.646 266 V HN 0.756 nan 8.190 nan 0.000 0.447 267 K N 0.406 120.809 120.400 0.004 0.000 2.063 267 K HA -0.241 4.080 4.320 0.002 0.000 0.208 267 K C 1.866 178.471 176.600 0.008 0.000 1.048 267 K CA 2.067 58.353 56.287 -0.002 0.000 0.928 267 K CB -0.481 32.009 32.500 -0.017 0.000 0.713 267 K HN 0.526 nan 8.250 nan 0.000 0.442 268 D N -1.240 119.169 120.400 0.015 0.000 2.144 268 D HA -0.108 4.533 4.640 0.002 0.000 0.200 268 D C 1.583 177.898 176.300 0.025 0.000 0.978 268 D CA 1.855 55.865 54.000 0.016 0.000 0.833 268 D CB -0.031 40.779 40.800 0.015 0.000 0.961 268 D HN 0.435 nan 8.370 nan 0.000 0.470 269 T N -3.866 110.710 114.554 0.037 0.000 3.037 269 T HA 0.075 4.426 4.350 0.002 0.000 0.252 269 T C 0.882 175.608 174.700 0.043 0.000 1.073 269 T CA 0.291 62.418 62.100 0.045 0.000 1.091 269 T CB -0.104 68.797 68.868 0.056 0.000 0.935 269 T HN 0.257 nan 8.240 nan 0.000 0.488 270 Q N -0.007 119.815 119.800 0.036 0.000 2.503 270 Q HA -0.111 4.230 4.340 0.002 0.000 0.267 270 Q C -0.824 175.197 176.000 0.035 0.000 1.030 270 Q CA 0.118 55.939 55.803 0.031 0.000 1.041 270 Q CB -2.345 26.408 28.738 0.025 0.000 1.406 270 Q HN 0.489 nan 8.270 nan 0.000 0.524 271 V N 1.380 121.321 119.914 0.045 0.000 2.408 271 V HA 0.383 4.504 4.120 0.002 0.000 0.267 271 V C 0.877 177.000 176.094 0.048 0.000 1.047 271 V CA 0.758 63.084 62.300 0.045 0.000 0.937 271 V CB 0.902 32.758 31.823 0.056 0.000 0.999 271 V HN 0.348 nan 8.190 nan 0.000 0.472 272 E N 6.872 127.090 120.200 0.029 0.000 2.417 272 E HA 0.378 4.730 4.350 0.002 0.000 0.261 272 E C -0.298 176.319 176.600 0.028 0.000 1.000 272 E CA 0.010 56.426 56.400 0.026 0.000 0.919 272 E CB 0.482 30.184 29.700 0.004 0.000 0.955 272 E HN 0.551 nan 8.360 nan 0.000 0.455 273 M N 0.945 120.579 119.600 0.056 0.000 2.658 273 M HA 0.516 4.998 4.480 0.002 0.000 0.295 273 M C -0.519 175.758 176.300 -0.038 0.000 1.248 273 M CA -0.975 54.336 55.300 0.018 0.000 0.843 273 M CB 1.933 34.616 32.600 0.139 0.000 1.749 273 M HN 0.540 nan 8.290 nan 0.000 0.464 274 I N 1.699 122.165 120.570 -0.174 0.000 2.301 274 I HA 0.290 4.462 4.170 0.002 0.000 0.292 274 I C -1.374 174.527 176.117 -0.361 0.000 1.046 274 I CA -0.096 61.109 61.300 -0.158 0.000 1.282 274 I CB 0.224 38.184 38.000 -0.067 0.000 1.409 274 I HN 0.465 nan 8.210 nan 0.000 0.484 275 Y N 5.814 126.047 120.300 -0.111 0.000 2.504 275 Y HA 0.395 4.947 4.550 0.002 0.000 0.344 275 Y C -2.245 173.401 175.900 -0.423 0.000 1.023 275 Y CA -2.246 55.681 58.100 -0.288 0.000 1.020 275 Y CB 1.822 40.160 38.460 -0.203 0.000 1.282 275 Y HN 0.424 nan 8.280 nan 0.000 0.454 276 P HA 0.106 nan 4.420 nan 0.000 0.268 276 P C -2.175 174.859 177.300 -0.444 0.000 1.205 276 P CA -1.055 61.748 63.100 -0.495 0.000 0.771 276 P CB 0.472 31.746 31.700 -0.709 0.000 0.858 277 P HA -0.222 nan 4.420 nan 0.000 0.217 277 P C 1.048 178.254 177.300 -0.157 0.000 1.148 277 P CA 1.626 64.637 63.100 -0.148 0.000 0.834 277 P CB -0.408 31.260 31.700 -0.052 0.000 0.783 278 H N -2.431 116.593 119.070 -0.077 0.000 2.524 278 H HA 0.041 4.598 4.556 0.002 0.000 0.282 278 H C 0.729 175.998 175.328 -0.098 0.000 1.016 278 H CA -0.131 55.872 56.048 -0.074 0.000 1.270 278 H CB -1.075 28.653 29.762 -0.057 0.000 1.394 278 H HN 0.000 nan 8.280 nan 0.000 0.568 279 I N 3.263 123.630 120.570 -0.339 0.000 2.741 279 I HA 0.023 4.195 4.170 0.002 0.000 0.288 279 I C -1.968 174.012 176.117 -0.229 0.000 1.192 279 I CA -2.533 58.606 61.300 -0.268 0.000 1.426 279 I CB -0.190 37.562 38.000 -0.413 0.000 1.367 279 I HN 0.152 nan 8.210 nan 0.000 0.563 280 P HA -0.000 nan 4.420 nan 0.000 0.265 280 P C 1.006 178.165 177.300 -0.234 0.000 1.193 280 P CA -0.002 62.995 63.100 -0.171 0.000 0.765 280 P CB 0.581 32.193 31.700 -0.147 0.000 0.823 281 E N 3.088 123.181 120.200 -0.178 0.000 2.136 281 E HA -0.365 3.986 4.350 0.002 0.000 0.202 281 E C 1.149 177.633 176.600 -0.194 0.000 1.019 281 E CA 1.944 58.241 56.400 -0.171 0.000 0.819 281 E CB -0.161 29.476 29.700 -0.104 0.000 0.739 281 E HN 0.408 nan 8.360 nan 0.000 0.458 282 N N -0.923 117.672 118.700 -0.175 0.000 2.463 282 N HA 0.034 4.775 4.740 0.002 0.000 0.181 282 N C 1.151 176.486 175.510 -0.292 0.000 1.078 282 N CA 0.117 53.083 53.050 -0.139 0.000 0.902 282 N CB 0.241 38.686 38.487 -0.071 0.000 0.970 282 N HN 0.146 nan 8.380 nan 0.000 0.451 283 L N 0.032 120.960 121.223 -0.492 0.000 2.607 283 L HA 0.174 4.516 4.340 0.002 0.000 0.228 283 L C 0.167 176.396 176.870 -1.070 0.000 1.123 283 L CA 0.143 54.438 54.840 -0.910 0.000 0.890 283 L CB 0.172 41.864 42.059 -0.611 0.000 1.103 283 L HN 0.095 nan 8.230 nan 0.000 0.468 284 Q N 0.893 120.221 119.800 -0.787 0.000 3.027 284 Q HA 0.158 4.500 4.340 0.002 0.000 0.260 284 Q C -0.832 175.017 176.000 -0.252 0.000 1.379 284 Q CA -0.435 54.846 55.803 -0.869 0.000 1.038 284 Q CB 0.106 28.452 28.738 -0.652 0.000 1.578 284 Q HN 0.086 nan 8.270 nan 0.000 0.571 285 F N 1.042 120.980 119.950 -0.019 0.000 2.529 285 F HA 0.190 4.718 4.527 0.001 0.000 0.365 285 F C 0.790 176.710 175.800 0.201 0.000 1.102 285 F CA -1.166 56.897 58.000 0.104 0.000 1.271 285 F CB 0.414 39.481 39.000 0.111 0.000 1.120 285 F HN 0.240 nan 8.300 nan 0.000 0.579 286 A N 4.125 127.147 122.820 0.335 0.000 2.271 286 A HA 0.754 5.075 4.320 0.002 0.000 0.317 286 A C -0.526 177.155 177.584 0.162 0.000 1.245 286 A CA -0.458 51.711 52.037 0.219 0.000 0.857 286 A CB 0.512 19.603 19.000 0.151 0.000 1.175 286 A HN 0.757 nan 8.150 nan 0.000 0.512 287 V N 0.067 120.061 119.914 0.132 0.000 3.156 287 V HA 0.875 4.996 4.120 0.002 0.000 0.310 287 V C 1.214 177.308 176.094 0.000 0.000 1.234 287 V CA -0.061 62.288 62.300 0.082 0.000 1.065 287 V CB 0.907 32.824 31.823 0.156 0.000 1.088 287 V HN 1.023 nan 8.190 nan 0.000 0.451 288 G N 0.183 108.952 108.800 -0.051 0.000 2.513 288 G HA2 -0.209 3.752 3.960 0.002 0.000 0.219 288 G HA3 -0.209 3.752 3.960 0.002 0.000 0.219 288 G C 0.747 175.537 174.900 -0.183 0.000 1.160 288 G CA 1.677 46.718 45.100 -0.098 0.000 0.767 288 G HN 1.085 nan 8.290 nan 0.000 0.571 289 Q N 0.294 119.875 119.800 -0.364 0.000 2.278 289 Q HA 0.428 4.770 4.340 0.002 0.000 0.257 289 Q C 0.863 176.596 176.000 -0.444 0.000 0.928 289 Q CA -0.116 55.325 55.803 -0.603 0.000 0.932 289 Q CB 1.673 29.595 28.738 -1.360 0.000 1.221 289 Q HN 0.270 nan 8.270 nan 0.000 0.434 290 E N 2.302 122.331 120.200 -0.284 0.000 2.209 290 E HA -0.140 4.211 4.350 0.002 0.000 0.196 290 E C 1.200 177.714 176.600 -0.144 0.000 0.993 290 E CA 1.584 57.886 56.400 -0.163 0.000 0.819 290 E CB -0.073 29.556 29.700 -0.119 0.000 0.745 290 E HN 0.597 nan 8.360 nan 0.000 0.477 291 V N -2.246 117.582 119.914 -0.144 0.000 3.647 291 V HA 0.108 4.229 4.120 0.002 0.000 0.279 291 V C 1.110 177.291 176.094 0.146 0.000 1.314 291 V CA 0.229 62.526 62.300 -0.004 0.000 1.125 291 V CB -0.400 31.466 31.823 0.072 0.000 0.907 291 V HN 0.007 nan 8.190 nan 0.000 0.434 292 F N 2.734 122.649 119.950 -0.058 0.000 2.661 292 F HA 0.341 4.870 4.527 0.003 0.000 0.298 292 F C 2.308 178.079 175.800 -0.048 0.000 1.137 292 F CA 0.500 58.483 58.000 -0.027 0.000 1.454 292 F CB -1.029 37.993 39.000 0.037 0.000 1.103 292 F HN 0.393 nan 8.300 nan 0.000 0.577 293 G N -0.320 108.513 108.800 0.055 0.000 2.598 293 G HA2 -0.144 3.817 3.960 0.002 0.000 0.215 293 G HA3 -0.144 3.817 3.960 0.002 0.000 0.215 293 G C 1.750 176.604 174.900 -0.077 0.000 1.131 293 G CA 0.334 45.444 45.100 0.016 0.000 0.785 293 G HN 0.352 nan 8.290 nan 0.000 0.539 294 L N 0.574 121.637 121.223 -0.267 0.000 2.046 294 L HA 0.141 4.483 4.340 0.002 0.000 0.208 294 L C 0.521 177.067 176.870 -0.540 0.000 1.077 294 L CA 1.337 55.715 54.840 -0.771 0.000 0.747 294 L CB 0.086 41.861 42.059 -0.474 0.000 0.896 294 L HN -0.026 nan 8.230 nan 0.000 0.432 295 V N -0.329 119.408 119.914 -0.295 0.000 2.531 295 V HA 0.339 4.460 4.120 0.002 0.000 0.301 295 V C -1.710 174.165 176.094 -0.366 0.000 1.034 295 V CA -1.084 61.029 62.300 -0.312 0.000 0.865 295 V CB 1.236 33.002 31.823 -0.096 0.000 0.995 295 V HN -0.056 nan 8.190 nan 0.000 0.424 296 P HA -0.078 nan 4.420 nan 0.000 0.219 296 P C 1.599 178.748 177.300 -0.251 0.000 1.146 296 P CA 1.405 64.258 63.100 -0.412 0.000 0.808 296 P CB 0.295 31.654 31.700 -0.569 0.000 0.779 297 G N -0.518 107.975 108.800 -0.513 0.000 2.422 297 G HA2 -0.179 3.782 3.960 0.002 0.000 0.218 297 G HA3 -0.179 3.782 3.960 0.002 0.000 0.218 297 G C 1.411 175.990 174.900 -0.534 0.000 1.140 297 G CA 0.390 44.861 45.100 -1.047 0.000 0.775 297 G HN 0.243 nan 8.290 nan 0.000 0.545 298 L N -0.164 120.844 121.223 -0.358 0.000 2.095 298 L HA 0.058 4.400 4.340 0.002 0.000 0.204 298 L C 2.953 179.688 176.870 -0.224 0.000 1.080 298 L CA 0.414 55.075 54.840 -0.297 0.000 0.759 298 L CB -0.287 41.472 42.059 -0.500 0.000 0.914 298 L HN 0.092 nan 8.230 nan 0.000 0.439 299 M N -0.595 118.922 119.600 -0.139 0.000 2.279 299 M HA -0.231 4.250 4.480 0.002 0.000 0.264 299 M C 2.266 178.505 176.300 -0.103 0.000 1.062 299 M CA 1.656 56.936 55.300 -0.033 0.000 1.099 299 M CB -0.747 31.888 32.600 0.059 0.000 1.394 299 M HN 0.377 nan 8.290 nan 0.000 0.426 300 M N -0.829 118.660 119.600 -0.184 0.000 2.065 300 M HA -0.282 4.199 4.480 0.002 0.000 0.259 300 M C 1.936 178.080 176.300 -0.260 0.000 1.069 300 M CA 2.022 57.179 55.300 -0.239 0.000 1.110 300 M CB -0.338 32.157 32.600 -0.175 0.000 1.328 300 M HN 0.100 nan 8.290 nan 0.000 0.405 301 Y N 0.223 120.382 120.300 -0.234 0.000 2.314 301 Y HA -0.002 4.550 4.550 0.004 0.000 0.293 301 Y C 2.637 178.363 175.900 -0.290 0.000 1.129 301 Y CA 1.326 59.208 58.100 -0.364 0.000 1.201 301 Y CB -0.964 37.069 38.460 -0.712 0.000 0.999 301 Y HN 0.401 nan 8.280 nan 0.000 0.541 302 A N -0.649 122.132 122.820 -0.065 0.000 1.902 302 A HA -0.197 4.124 4.320 0.002 0.000 0.217 302 A C 2.290 179.917 177.584 0.072 0.000 1.181 302 A CA 2.357 54.483 52.037 0.149 0.000 0.623 302 A CB -1.148 17.983 19.000 0.219 0.000 0.818 302 A HN 0.401 nan 8.150 nan 0.000 0.443 303 T N 0.102 114.641 114.554 -0.026 0.000 2.812 303 T HA -0.029 4.323 4.350 0.002 0.000 0.264 303 T C 1.807 176.441 174.700 -0.110 0.000 1.042 303 T CA 1.341 63.387 62.100 -0.090 0.000 1.140 303 T CB -0.363 68.424 68.868 -0.135 0.000 0.870 303 T HN 0.407 nan 8.240 nan 0.000 0.445 304 I N -0.569 119.919 120.570 -0.136 0.000 2.163 304 I HA -0.197 3.974 4.170 0.002 0.000 0.243 304 I C 2.200 178.213 176.117 -0.173 0.000 1.085 304 I CA 1.535 62.712 61.300 -0.205 0.000 1.347 304 I CB -0.264 37.563 38.000 -0.287 0.000 1.044 304 I HN 0.341 nan 8.210 nan 0.000 0.408 305 W N 0.381 121.669 121.300 -0.021 0.000 2.388 305 W HA -0.119 4.543 4.660 0.004 0.000 0.294 305 W C 2.443 178.950 176.519 -0.019 0.000 1.212 305 W CA 0.506 57.850 57.345 -0.000 0.000 1.271 305 W CB -0.238 29.217 29.460 -0.009 0.000 1.126 305 W HN 0.111 nan 8.180 nan 0.000 0.535 306 L N 0.730 122.045 121.223 0.154 0.000 2.017 306 L HA -0.202 4.139 4.340 0.002 0.000 0.208 306 L C 2.576 179.485 176.870 0.066 0.000 1.073 306 L CA 1.754 56.639 54.840 0.075 0.000 0.745 306 L CB -0.396 41.673 42.059 0.016 0.000 0.894 306 L HN -0.088 nan 8.230 nan 0.000 0.432 307 R N -0.441 120.045 120.500 -0.022 0.000 2.083 307 R HA -0.246 4.095 4.340 0.002 0.000 0.237 307 R C 2.220 178.509 176.300 -0.018 0.000 1.137 307 R CA 1.691 57.744 56.100 -0.079 0.000 0.951 307 R CB -0.441 29.770 30.300 -0.148 0.000 0.851 307 R HN 0.363 nan 8.270 nan 0.000 0.434 308 E N 0.332 120.540 120.200 0.013 0.000 2.085 308 E HA -0.249 4.102 4.350 0.002 0.000 0.194 308 E C 1.770 178.462 176.600 0.154 0.000 0.994 308 E CA 1.897 58.329 56.400 0.053 0.000 0.801 308 E CB -0.237 29.479 29.700 0.028 0.000 0.743 308 E HN 0.479 nan 8.360 nan 0.000 0.453 309 H N -0.352 118.807 119.070 0.148 0.000 2.321 309 H HA -0.046 4.512 4.556 0.002 0.000 0.300 309 H C 1.576 176.981 175.328 0.129 0.000 1.087 309 H CA 2.182 58.338 56.048 0.180 0.000 1.319 309 H CB -0.105 29.789 29.762 0.220 0.000 1.379 309 H HN 0.142 nan 8.280 nan 0.000 0.501 310 N N 0.191 119.008 118.700 0.196 0.000 2.309 310 N HA -0.114 4.627 4.740 0.002 0.000 0.182 310 N C 1.930 177.440 175.510 0.001 0.000 1.018 310 N CA 0.848 53.953 53.050 0.091 0.000 0.876 310 N CB -0.321 38.182 38.487 0.028 0.000 0.972 310 N HN 0.424 nan 8.380 nan 0.000 0.434 311 R N 0.691 121.187 120.500 -0.007 0.000 2.075 311 R HA -0.006 4.336 4.340 0.002 0.000 0.232 311 R C 1.579 177.874 176.300 -0.008 0.000 1.126 311 R CA 0.945 57.033 56.100 -0.019 0.000 0.963 311 R CB -0.135 30.150 30.300 -0.026 0.000 0.858 311 R HN -0.021 nan 8.270 nan 0.000 0.435 312 V N 0.354 120.264 119.914 -0.006 0.000 2.427 312 V HA -0.297 3.825 4.120 0.002 0.000 0.248 312 V C 2.540 178.627 176.094 -0.011 0.000 1.051 312 V CA 1.555 63.856 62.300 0.001 0.000 1.048 312 V CB -0.457 31.378 31.823 0.021 0.000 0.666 312 V HN 0.521 nan 8.190 nan 0.000 0.456 313 C N 0.195 119.457 119.300 -0.062 0.000 2.398 313 C HA -0.201 4.260 4.460 0.002 0.000 0.276 313 C C 2.553 177.567 174.990 0.041 0.000 1.222 313 C CA 1.174 60.191 59.018 -0.001 0.000 1.746 313 C CB -1.070 26.677 27.740 0.011 0.000 2.039 313 C HN 0.605 nan 8.230 nan 0.000 0.470 314 D N 0.833 121.246 120.400 0.021 0.000 2.123 314 D HA -0.102 4.540 4.640 0.002 0.000 0.196 314 D C 2.057 178.362 176.300 0.008 0.000 0.992 314 D CA 1.133 55.143 54.000 0.017 0.000 0.833 314 D CB -0.378 40.423 40.800 0.001 0.000 0.954 314 D HN 0.341 nan 8.370 nan 0.000 0.455 315 I N 0.760 121.334 120.570 0.006 0.000 2.179 315 I HA -0.218 3.953 4.170 0.002 0.000 0.242 315 I C 2.602 178.712 176.117 -0.012 0.000 1.088 315 I CA 0.861 62.160 61.300 -0.003 0.000 1.357 315 I CB -1.045 36.961 38.000 0.010 0.000 1.051 315 I HN 0.061 nan 8.210 nan 0.000 0.409 316 L N 0.429 121.669 121.223 0.028 0.000 2.141 316 L HA -0.189 4.152 4.340 0.002 0.000 0.209 316 L C 2.620 179.487 176.870 -0.005 0.000 1.094 316 L CA 1.142 56.005 54.840 0.038 0.000 0.763 316 L CB -0.550 41.612 42.059 0.171 0.000 0.908 316 L HN 0.253 nan 8.230 nan 0.000 0.437 317 K N 0.223 120.645 120.400 0.037 0.000 2.097 317 K HA -0.270 4.052 4.320 0.002 0.000 0.206 317 K C 2.182 178.762 176.600 -0.034 0.000 1.049 317 K CA 1.498 57.807 56.287 0.036 0.000 0.933 317 K CB 0.054 32.592 32.500 0.064 0.000 0.717 317 K HN 0.125 nan 8.250 nan 0.000 0.442 318 Q N 0.735 120.502 119.800 -0.055 0.000 2.050 318 Q HA -0.174 4.167 4.340 0.002 0.000 0.202 318 Q C 1.701 177.598 176.000 -0.172 0.000 0.980 318 Q CA 1.857 57.608 55.803 -0.086 0.000 0.840 318 Q CB 0.075 28.773 28.738 -0.068 0.000 0.898 318 Q HN 0.270 nan 8.270 nan 0.000 0.424 319 E N -0.318 119.725 120.200 -0.262 0.000 2.150 319 E HA -0.092 4.259 4.350 0.002 0.000 0.193 319 E C 0.118 176.222 176.600 -0.826 0.000 0.985 319 E CA 0.911 57.001 56.400 -0.518 0.000 0.814 319 E CB 0.124 29.468 29.700 -0.593 0.000 0.752 319 E HN 0.486 nan 8.360 nan 0.000 0.466 320 H N -0.037 118.787 119.070 -0.410 0.000 2.448 320 H HA 0.161 4.718 4.556 0.002 0.000 0.237 320 H C -1.787 173.395 175.328 -0.243 0.000 1.391 320 H CA -1.568 54.156 56.048 -0.541 0.000 1.477 320 H CB 1.247 30.148 29.762 -1.434 0.000 1.520 320 H HN -0.001 nan 8.280 nan 0.000 0.502 321 P HA -0.178 nan 4.420 nan 0.000 0.221 321 P C 1.362 178.710 177.300 0.079 0.000 1.145 321 P CA 1.098 64.206 63.100 0.015 0.000 0.795 321 P CB 0.471 32.168 31.700 -0.005 0.000 0.775 322 E N -1.423 118.837 120.200 0.101 0.000 2.371 322 E HA -0.108 4.244 4.350 0.002 0.000 0.194 322 E C 0.335 177.125 176.600 0.316 0.000 1.012 322 E CA 0.138 56.643 56.400 0.176 0.000 0.860 322 E CB -0.656 29.146 29.700 0.170 0.000 0.811 322 E HN 0.144 nan 8.360 nan 0.000 0.502 323 W N 1.886 123.235 121.300 0.082 0.000 2.150 323 W HA 0.496 5.158 4.660 0.002 0.000 0.341 323 W C 1.162 177.714 176.519 0.055 0.000 1.276 323 W CA 0.025 57.399 57.345 0.049 0.000 1.238 323 W CB 0.415 29.897 29.460 0.037 0.000 1.128 323 W HN -0.015 nan 8.180 nan 0.000 0.581 324 G N 0.565 109.494 108.800 0.214 0.000 2.531 324 G HA2 0.142 4.104 3.960 0.002 0.000 0.313 324 G HA3 0.142 4.104 3.960 0.002 0.000 0.313 324 G C 0.301 175.292 174.900 0.151 0.000 1.238 324 G CA -0.153 45.032 45.100 0.142 0.000 0.994 324 G HN 0.474 nan 8.290 nan 0.000 0.493 325 D N -0.864 119.620 120.400 0.141 0.000 2.116 325 D HA -0.197 4.445 4.640 0.002 0.000 0.193 325 D C 2.010 178.408 176.300 0.163 0.000 0.998 325 D CA 1.879 55.976 54.000 0.161 0.000 0.836 325 D CB 0.082 40.983 40.800 0.168 0.000 0.951 325 D HN 0.429 nan 8.370 nan 0.000 0.449 326 E N 0.189 120.462 120.200 0.121 0.000 2.058 326 E HA -0.256 4.096 4.350 0.002 0.000 0.194 326 E C 2.100 178.751 176.600 0.085 0.000 0.997 326 E CA 1.536 58.006 56.400 0.117 0.000 0.801 326 E CB -0.372 29.373 29.700 0.074 0.000 0.746 326 E HN 0.475 nan 8.360 nan 0.000 0.450 327 Q N -0.407 119.356 119.800 -0.063 0.000 2.119 327 Q HA -0.110 4.231 4.340 0.002 0.000 0.201 327 Q C 2.242 178.144 176.000 -0.162 0.000 0.972 327 Q CA 1.311 56.939 55.803 -0.292 0.000 0.847 327 Q CB -0.097 28.195 28.738 -0.744 0.000 0.903 327 Q HN 0.365 nan 8.270 nan 0.000 0.433 328 L N -0.207 121.079 121.223 0.104 0.000 2.046 328 L HA -0.173 4.168 4.340 0.002 0.000 0.208 328 L C 2.305 179.299 176.870 0.206 0.000 1.077 328 L CA 1.246 56.254 54.840 0.279 0.000 0.747 328 L CB -0.520 41.724 42.059 0.309 0.000 0.896 328 L HN 0.312 nan 8.230 nan 0.000 0.432 329 F N 0.501 120.506 119.950 0.092 0.000 2.102 329 F HA -0.233 4.296 4.527 0.002 0.000 0.298 329 F C 2.711 178.566 175.800 0.092 0.000 1.105 329 F CA 1.550 59.632 58.000 0.137 0.000 1.239 329 F CB -0.168 38.886 39.000 0.090 0.000 0.991 329 F HN 0.036 nan 8.300 nan 0.000 0.474 330 Q N -0.173 119.623 119.800 -0.007 0.000 2.079 330 Q HA -0.116 4.225 4.340 0.002 0.000 0.200 330 Q C 2.225 178.151 176.000 -0.123 0.000 0.974 330 Q CA 2.058 57.780 55.803 -0.135 0.000 0.840 330 Q CB -1.081 27.655 28.738 -0.003 0.000 0.898 330 Q HN 0.407 nan 8.270 nan 0.000 0.430 331 T N 1.136 115.664 114.554 -0.043 0.000 2.777 331 T HA -0.077 4.275 4.350 0.002 0.000 0.266 331 T C 2.180 176.955 174.700 0.125 0.000 1.040 331 T CA 1.376 63.521 62.100 0.075 0.000 1.141 331 T CB -0.127 68.852 68.868 0.186 0.000 0.868 331 T HN 0.194 nan 8.240 nan 0.000 0.444 332 S N 0.918 116.638 115.700 0.033 0.000 2.370 332 S HA -0.119 4.352 4.470 0.002 0.000 0.226 332 S C 2.083 176.715 174.600 0.053 0.000 1.033 332 S CA 1.151 59.342 58.200 -0.016 0.000 1.011 332 S CB -0.245 62.763 63.200 -0.319 0.000 0.852 332 S HN 0.465 nan 8.310 nan 0.000 0.457 333 R N 1.078 121.507 120.500 -0.118 0.000 2.073 333 R HA -0.019 4.322 4.340 0.002 0.000 0.234 333 R C 2.180 178.523 176.300 0.072 0.000 1.134 333 R CA 1.213 57.216 56.100 -0.162 0.000 0.952 333 R CB -0.435 29.414 30.300 -0.752 0.000 0.850 333 R HN 0.341 nan 8.270 nan 0.000 0.433 334 L N 0.475 121.770 121.223 0.120 0.000 2.042 334 L HA -0.222 4.120 4.340 0.002 0.000 0.210 334 L C 2.521 179.650 176.870 0.431 0.000 1.076 334 L CA 1.414 56.447 54.840 0.321 0.000 0.749 334 L CB -0.436 41.849 42.059 0.376 0.000 0.893 334 L HN 0.310 nan 8.230 nan 0.000 0.432 335 I N -0.687 120.109 120.570 0.377 0.000 2.226 335 I HA -0.309 3.863 4.170 0.002 0.000 0.245 335 I C 2.358 178.624 176.117 0.248 0.000 1.100 335 I CA 1.118 62.582 61.300 0.273 0.000 1.374 335 I CB -0.118 38.027 38.000 0.242 0.000 1.057 335 I HN 0.179 nan 8.210 nan 0.000 0.413 336 L N 0.210 121.602 121.223 0.282 0.000 2.093 336 L HA -0.164 4.177 4.340 0.002 0.000 0.208 336 L C 2.289 179.292 176.870 0.222 0.000 1.085 336 L CA 1.705 56.740 54.840 0.325 0.000 0.755 336 L CB -0.518 41.775 42.059 0.391 0.000 0.904 336 L HN 0.149 nan 8.230 nan 0.000 0.435 337 I N -0.877 119.819 120.570 0.209 0.000 2.127 337 I HA -0.297 3.875 4.170 0.002 0.000 0.241 337 I C 2.520 178.748 176.117 0.184 0.000 1.075 337 I CA 1.607 63.013 61.300 0.176 0.000 1.334 337 I CB -1.039 37.080 38.000 0.199 0.000 1.040 337 I HN 0.363 nan 8.210 nan 0.000 0.405 338 G N 0.147 109.094 108.800 0.246 0.000 2.446 338 G HA2 -0.251 3.710 3.960 0.002 0.000 0.217 338 G HA3 -0.251 3.710 3.960 0.002 0.000 0.217 338 G C 1.519 176.537 174.900 0.196 0.000 1.168 338 G CA 0.733 45.993 45.100 0.266 0.000 0.771 338 G HN 0.420 nan 8.290 nan 0.000 0.551 339 E N -0.208 120.126 120.200 0.223 0.000 2.085 339 E HA -0.130 4.222 4.350 0.002 0.000 0.194 339 E C 2.807 179.575 176.600 0.280 0.000 0.994 339 E CA 1.538 58.099 56.400 0.268 0.000 0.801 339 E CB -0.233 29.698 29.700 0.386 0.000 0.743 339 E HN 0.380 nan 8.360 nan 0.000 0.453 340 T N 1.393 116.098 114.554 0.253 0.000 2.674 340 T HA -0.138 4.214 4.350 0.002 0.000 0.265 340 T C 2.021 176.738 174.700 0.028 0.000 1.039 340 T CA 1.042 63.254 62.100 0.186 0.000 1.150 340 T CB -0.230 68.653 68.868 0.026 0.000 0.864 340 T HN 0.113 nan 8.240 nan 0.000 0.427 341 I N 0.948 121.463 120.570 -0.091 0.000 2.286 341 I HA -0.181 3.990 4.170 0.002 0.000 0.248 341 I C 2.545 178.340 176.117 -0.536 0.000 1.115 341 I CA 1.170 62.263 61.300 -0.345 0.000 1.392 341 I CB -0.298 37.384 38.000 -0.530 0.000 1.065 341 I HN 0.144 nan 8.210 nan 0.000 0.418 342 K N 1.829 121.962 120.400 -0.444 0.000 2.026 342 K HA -0.141 4.181 4.320 0.002 0.000 0.208 342 K C 1.862 178.467 176.600 0.009 0.000 1.048 342 K CA 1.776 57.980 56.287 -0.139 0.000 0.929 342 K CB -0.388 32.209 32.500 0.161 0.000 0.713 342 K HN 0.241 nan 8.250 nan 0.000 0.439 343 I N 0.044 120.646 120.570 0.054 0.000 2.202 343 I HA -0.243 3.929 4.170 0.002 0.000 0.242 343 I C 2.049 178.207 176.117 0.067 0.000 1.091 343 I CA 0.842 62.193 61.300 0.085 0.000 1.368 343 I CB -0.182 37.916 38.000 0.163 0.000 1.058 343 I HN -0.037 nan 8.210 nan 0.000 0.410 344 V N 1.207 121.111 119.914 -0.017 0.000 2.282 344 V HA -0.317 3.804 4.120 0.002 0.000 0.249 344 V C 2.249 178.412 176.094 0.115 0.000 1.057 344 V CA 2.081 64.338 62.300 -0.071 0.000 1.032 344 V CB -0.464 31.148 31.823 -0.351 0.000 0.645 344 V HN 0.336 nan 8.190 nan 0.000 0.447 345 I N -0.524 120.093 120.570 0.079 0.000 2.206 345 I HA -0.148 4.024 4.170 0.002 0.000 0.239 345 I C 2.487 178.711 176.117 0.178 0.000 1.078 345 I CA 1.502 62.905 61.300 0.171 0.000 1.367 345 I CB -0.382 37.745 38.000 0.213 0.000 1.078 345 I HN 0.317 nan 8.210 nan 0.000 0.413 346 E N 0.316 120.602 120.200 0.143 0.000 2.371 346 E HA -0.119 4.232 4.350 0.002 0.000 0.194 346 E C 0.976 177.641 176.600 0.109 0.000 1.012 346 E CA 0.710 57.177 56.400 0.113 0.000 0.860 346 E CB 0.193 29.952 29.700 0.099 0.000 0.811 346 E HN 0.510 nan 8.360 nan 0.000 0.502 347 D N -0.691 119.804 120.400 0.159 0.000 2.716 347 D HA -0.040 4.602 4.640 0.002 0.000 0.273 347 D C 1.527 178.101 176.300 0.456 0.000 1.024 347 D CA 0.347 54.478 54.000 0.219 0.000 0.944 347 D CB -0.195 40.662 40.800 0.094 0.000 1.186 347 D HN 0.084 nan 8.370 nan 0.000 0.485 348 Y N 1.995 122.469 120.300 0.290 0.000 2.201 348 Y HA -0.085 4.466 4.550 0.002 0.000 0.292 348 Y C 2.138 178.182 175.900 0.239 0.000 1.119 348 Y CA 1.225 59.433 58.100 0.180 0.000 1.127 348 Y CB -0.244 38.148 38.460 -0.113 0.000 1.019 348 Y HN -0.280 nan 8.280 nan 0.000 0.514 349 V N 0.724 120.807 119.914 0.281 0.000 2.427 349 V HA -0.273 3.849 4.120 0.002 0.000 0.248 349 V C 2.286 178.403 176.094 0.038 0.000 1.051 349 V CA 2.017 64.400 62.300 0.139 0.000 1.048 349 V CB -0.815 31.100 31.823 0.153 0.000 0.666 349 V HN 0.396 nan 8.190 nan 0.000 0.456 350 Q N 0.502 120.356 119.800 0.090 0.000 2.045 350 Q HA -0.295 4.047 4.340 0.002 0.000 0.206 350 Q C 2.138 178.117 176.000 -0.035 0.000 0.991 350 Q CA 2.710 58.526 55.803 0.022 0.000 0.851 350 Q CB -0.572 28.204 28.738 0.065 0.000 0.911 350 Q HN 0.840 nan 8.270 nan 0.000 0.418 351 H N -0.498 118.546 119.070 -0.044 0.000 2.293 351 H HA -0.079 4.479 4.556 0.003 0.000 0.300 351 H C 1.797 176.968 175.328 -0.261 0.000 1.082 351 H CA 2.135 58.112 56.048 -0.118 0.000 1.308 351 H CB -0.465 29.278 29.762 -0.031 0.000 1.375 351 H HN 0.329 nan 8.280 nan 0.000 0.495 352 L N 0.244 121.208 121.223 -0.431 0.000 2.081 352 L HA -0.236 4.105 4.340 0.002 0.000 0.212 352 L C 2.813 179.420 176.870 -0.437 0.000 1.080 352 L CA 1.671 56.213 54.840 -0.497 0.000 0.754 352 L CB -0.633 41.326 42.059 -0.167 0.000 0.893 352 L HN 0.533 nan 8.230 nan 0.000 0.433 353 S N -0.685 114.748 115.700 -0.445 0.000 2.383 353 S HA -0.069 4.402 4.470 0.002 0.000 0.227 353 S C 1.773 176.003 174.600 -0.616 0.000 1.026 353 S CA 0.831 58.593 58.200 -0.729 0.000 0.981 353 S CB -0.355 62.043 63.200 -1.338 0.000 0.818 353 S HN 0.561 nan 8.310 nan 0.000 0.472 354 G N -0.111 108.405 108.800 -0.473 0.000 2.162 354 G HA2 -0.256 3.705 3.960 0.002 0.000 0.260 354 G HA3 -0.256 3.705 3.960 0.002 0.000 0.260 354 G C -0.093 174.637 174.900 -0.284 0.000 0.976 354 G CA 0.450 45.350 45.100 -0.334 0.000 0.655 354 G HN 0.545 nan 8.290 nan 0.000 0.533 355 Y N 0.291 120.414 120.300 -0.296 0.000 2.379 355 Y HA 0.404 4.955 4.550 0.003 0.000 0.337 355 Y C 1.782 177.441 175.900 -0.401 0.000 1.238 355 Y CA -0.583 57.279 58.100 -0.396 0.000 1.405 355 Y CB 0.360 38.666 38.460 -0.256 0.000 1.310 355 Y HN 0.207 nan 8.280 nan 0.000 0.569 356 H N 1.146 120.103 119.070 -0.188 0.000 2.512 356 H HA -0.039 4.518 4.556 0.002 0.000 0.279 356 H C 0.225 175.445 175.328 -0.181 0.000 0.999 356 H CA -0.008 55.941 56.048 -0.164 0.000 1.283 356 H CB -0.097 29.629 29.762 -0.061 0.000 1.421 356 H HN 0.484 nan 8.280 nan 0.000 0.554 357 F N 2.870 122.486 119.950 -0.557 0.000 2.543 357 F HA 0.154 4.683 4.527 0.003 0.000 0.375 357 F C 0.292 176.049 175.800 -0.071 0.000 1.075 357 F CA -0.689 57.077 58.000 -0.390 0.000 1.225 357 F CB 0.443 38.942 39.000 -0.834 0.000 1.099 357 F HN -0.270 nan 8.300 nan 0.000 0.561 358 K N 7.919 127.874 120.400 -0.742 0.000 2.292 358 K HA 0.271 4.592 4.320 0.002 0.000 0.290 358 K C -0.411 175.620 176.600 -0.948 0.000 1.083 358 K CA -0.306 55.622 56.287 -0.598 0.000 0.918 358 K CB 0.423 32.753 32.500 -0.283 0.000 1.089 358 K HN 0.636 nan 8.250 nan 0.000 0.473 359 L N 2.871 123.792 121.223 -0.504 0.000 2.483 359 L HA 0.087 4.428 4.340 0.002 0.000 0.275 359 L C 0.435 177.256 176.870 -0.082 0.000 1.220 359 L CA 0.425 55.151 54.840 -0.191 0.000 0.833 359 L CB 0.116 42.242 42.059 0.112 0.000 1.102 359 L HN 0.523 nan 8.230 nan 0.000 0.490 360 K N 1.921 122.340 120.400 0.032 0.000 2.427 360 K HA 0.357 4.678 4.320 0.002 0.000 0.252 360 K C -1.488 175.213 176.600 0.169 0.000 0.931 360 K CA -0.733 55.596 56.287 0.070 0.000 0.793 360 K CB 1.606 34.122 32.500 0.027 0.000 1.211 360 K HN 0.311 nan 8.250 nan 0.000 0.426 361 F N 4.285 124.244 119.950 0.015 0.000 2.350 361 F HA 0.350 4.878 4.527 0.002 0.000 0.365 361 F C -1.001 174.760 175.800 -0.066 0.000 1.122 361 F CA -0.726 57.267 58.000 -0.011 0.000 1.139 361 F CB 0.662 39.674 39.000 0.021 0.000 1.220 361 F HN 0.522 nan 8.300 nan 0.000 0.499 362 D N 8.366 128.475 120.400 -0.485 0.000 2.337 362 D HA 0.318 4.959 4.640 0.002 0.000 0.238 362 D C -2.261 173.626 176.300 -0.688 0.000 1.331 362 D CA -1.810 51.839 54.000 -0.585 0.000 0.967 362 D CB 1.772 42.417 40.800 -0.259 0.000 1.382 362 D HN 0.163 nan 8.370 nan 0.000 0.549 363 P HA -0.153 nan 4.420 nan 0.000 0.217 363 P C 0.961 177.612 177.300 -1.081 0.000 1.151 363 P CA 1.039 63.577 63.100 -0.937 0.000 0.849 363 P CB 0.367 31.250 31.700 -1.363 0.000 0.787 364 E N -0.833 118.710 120.200 -1.095 0.000 2.273 364 E HA -0.170 4.181 4.350 0.002 0.000 0.198 364 E C 1.758 177.941 176.600 -0.695 0.000 1.002 364 E CA 0.650 56.330 56.400 -1.200 0.000 0.828 364 E CB -0.591 28.884 29.700 -0.374 0.000 0.747 364 E HN 0.281 nan 8.360 nan 0.000 0.491 365 L N 0.043 120.990 121.223 -0.460 0.000 2.191 365 L HA -0.165 4.176 4.340 0.002 0.000 0.212 365 L C 1.944 178.699 176.870 -0.191 0.000 1.103 365 L CA 0.760 55.449 54.840 -0.251 0.000 0.769 365 L CB -0.131 41.804 42.059 -0.207 0.000 0.908 365 L HN 0.199 nan 8.230 nan 0.000 0.438 366 L N -2.150 118.936 121.223 -0.228 0.000 2.585 366 L HA 0.046 4.387 4.340 0.002 0.000 0.226 366 L C 1.887 178.907 176.870 0.250 0.000 1.113 366 L CA -0.323 54.486 54.840 -0.053 0.000 0.876 366 L CB -0.114 41.828 42.059 -0.194 0.000 1.072 366 L HN 0.097 nan 8.230 nan 0.000 0.468 367 F N 1.524 121.535 119.950 0.101 0.000 2.333 367 F HA -0.165 4.364 4.527 0.002 0.000 0.300 367 F C 2.184 178.057 175.800 0.121 0.000 1.083 367 F CA 0.749 58.836 58.000 0.145 0.000 1.395 367 F CB -0.777 38.304 39.000 0.135 0.000 1.056 367 F HN 0.396 nan 8.300 nan 0.000 0.529 368 N N -0.787 118.072 118.700 0.265 0.000 2.205 368 N HA -0.022 4.719 4.740 0.002 0.000 0.201 368 N C 0.123 175.713 175.510 0.133 0.000 1.128 368 N CA 0.125 53.279 53.050 0.174 0.000 0.867 368 N CB 0.069 38.636 38.487 0.134 0.000 0.996 368 N HN 0.148 nan 8.380 nan 0.000 0.503 369 Q N 0.744 120.628 119.800 0.140 0.000 2.215 369 Q HA 0.301 4.642 4.340 0.002 0.000 0.256 369 Q C -0.380 175.709 176.000 0.149 0.000 0.972 369 Q CA -0.393 55.475 55.803 0.110 0.000 0.889 369 Q CB 1.558 30.331 28.738 0.059 0.000 1.281 369 Q HN 0.263 nan 8.270 nan 0.000 0.456 370 Q N 0.977 120.854 119.800 0.129 0.000 2.296 370 Q HA 0.445 4.787 4.340 0.002 0.000 0.262 370 Q C -1.145 174.973 176.000 0.196 0.000 0.981 370 Q CA 0.211 56.096 55.803 0.136 0.000 0.905 370 Q CB 0.474 29.272 28.738 0.101 0.000 1.186 370 Q HN 0.377 nan 8.270 nan 0.000 0.399 371 F N 1.372 121.285 119.950 -0.061 0.000 2.654 371 F HA 0.161 4.689 4.527 0.002 0.000 0.314 371 F C -1.615 174.019 175.800 -0.277 0.000 1.116 371 F CA -0.833 57.057 58.000 -0.183 0.000 1.017 371 F CB 1.614 40.449 39.000 -0.275 0.000 1.285 371 F HN 0.298 nan 8.300 nan 0.000 0.448 372 Q N 5.248 124.444 119.800 -1.007 0.000 2.331 372 Q HA 0.217 4.558 4.340 0.002 0.000 0.257 372 Q C -1.196 174.286 176.000 -0.863 0.000 0.957 372 Q CA -0.343 55.050 55.803 -0.683 0.000 0.923 372 Q CB 1.083 29.564 28.738 -0.427 0.000 1.212 372 Q HN 0.654 nan 8.270 nan 0.000 0.443 373 Y N 2.754 122.943 120.300 -0.185 0.000 2.851 373 Y HA 0.065 4.616 4.550 0.002 0.000 0.369 373 Y C 0.660 176.532 175.900 -0.047 0.000 1.226 373 Y CA -0.100 57.987 58.100 -0.021 0.000 1.949 373 Y CB 0.043 38.578 38.460 0.126 0.000 2.059 373 Y HN 0.392 nan 8.280 nan 0.000 0.420 374 Q N -0.361 119.412 119.800 -0.044 0.000 2.522 374 Q HA 0.565 4.906 4.340 0.002 0.000 0.285 374 Q C -1.901 174.057 176.000 -0.070 0.000 0.982 374 Q CA -1.275 54.511 55.803 -0.029 0.000 0.805 374 Q CB 2.287 31.004 28.738 -0.035 0.000 1.457 374 Q HN 0.244 nan 8.270 nan 0.000 0.394 375 N N -0.255 118.415 118.700 -0.050 0.000 2.331 375 N HA 0.576 5.317 4.740 0.002 0.000 0.280 375 N C -2.156 173.307 175.510 -0.077 0.000 1.155 375 N CA -0.541 52.477 53.050 -0.053 0.000 0.822 375 N CB 2.414 40.885 38.487 -0.026 0.000 1.619 375 N HN 0.612 nan 8.380 nan 0.000 0.476 376 R N 2.901 123.350 120.500 -0.086 0.000 2.532 376 R HA 0.519 4.860 4.340 0.002 0.000 0.297 376 R C -0.997 175.345 176.300 0.071 0.000 0.984 376 R CA -0.577 55.421 56.100 -0.170 0.000 0.884 376 R CB 0.608 30.732 30.300 -0.293 0.000 1.182 376 R HN 0.526 nan 8.270 nan 0.000 0.442 377 I N 3.630 124.418 120.570 0.364 0.000 2.533 377 I HA 0.216 4.387 4.170 0.002 0.000 0.284 377 I C 0.490 176.827 176.117 0.367 0.000 1.109 377 I CA -0.009 61.524 61.300 0.388 0.000 1.412 377 I CB 0.609 38.897 38.000 0.480 0.000 1.396 377 I HN 0.714 nan 8.210 nan 0.000 0.543 378 A N 4.788 127.719 122.820 0.185 0.000 2.309 378 A HA 0.305 4.626 4.320 0.002 0.000 0.298 378 A C 1.244 178.770 177.584 -0.098 0.000 1.165 378 A CA -0.240 51.821 52.037 0.041 0.000 0.821 378 A CB 0.927 19.857 19.000 -0.118 0.000 1.102 378 A HN 0.803 nan 8.150 nan 0.000 0.500 379 S N 1.181 116.826 115.700 -0.091 0.000 2.374 379 S HA -0.202 4.269 4.470 0.002 0.000 0.227 379 S C 1.583 176.059 174.600 -0.207 0.000 1.037 379 S CA 2.459 60.502 58.200 -0.261 0.000 1.024 379 S CB -0.342 62.863 63.200 0.007 0.000 0.861 379 S HN 0.798 nan 8.310 nan 0.000 0.456 380 E N 0.052 120.151 120.200 -0.168 0.000 2.204 380 E HA -0.029 4.323 4.350 0.002 0.000 0.194 380 E C 1.563 178.022 176.600 -0.235 0.000 0.989 380 E CA 0.917 57.205 56.400 -0.187 0.000 0.824 380 E CB -0.316 29.247 29.700 -0.227 0.000 0.756 380 E HN 0.619 nan 8.360 nan 0.000 0.477 381 F N 1.834 121.366 119.950 -0.696 0.000 2.186 381 F HA -0.104 4.424 4.527 0.002 0.000 0.299 381 F C 1.895 177.425 175.800 -0.450 0.000 1.090 381 F CA 1.289 58.906 58.000 -0.639 0.000 1.307 381 F CB -0.479 37.998 39.000 -0.871 0.000 1.019 381 F HN -0.027 nan 8.300 nan 0.000 0.489 382 N N -0.164 118.039 118.700 -0.829 0.000 2.043 382 N HA -0.187 4.554 4.740 0.002 0.000 0.193 382 N C 1.698 176.657 175.510 -0.919 0.000 1.037 382 N CA 2.554 54.660 53.050 -1.573 0.000 0.851 382 N CB -0.700 37.030 38.487 -1.262 0.000 1.027 382 N HN 0.278 nan 8.380 nan 0.000 0.422 383 T N 0.994 115.327 114.554 -0.369 0.000 2.684 383 T HA -0.133 4.219 4.350 0.002 0.000 0.267 383 T C 1.820 176.593 174.700 0.121 0.000 1.036 383 T CA 1.643 63.749 62.100 0.010 0.000 1.148 383 T CB -0.480 68.435 68.868 0.079 0.000 0.863 383 T HN 0.442 nan 8.240 nan 0.000 0.436 384 L N -1.285 119.934 121.223 -0.007 0.000 2.275 384 L HA 0.147 4.488 4.340 0.002 0.000 0.215 384 L C 1.917 178.802 176.870 0.026 0.000 1.119 384 L CA 1.418 56.305 54.840 0.077 0.000 0.790 384 L CB -1.210 40.890 42.059 0.068 0.000 0.919 384 L HN 0.146 nan 8.230 nan 0.000 0.443 385 Y N -0.363 119.682 120.300 -0.425 0.000 2.462 385 Y HA 0.098 4.649 4.550 0.002 0.000 0.293 385 Y C 0.500 175.881 175.900 -0.864 0.000 1.195 385 Y CA -0.215 57.332 58.100 -0.922 0.000 1.276 385 Y CB -0.386 37.492 38.460 -0.970 0.000 1.082 385 Y HN 0.292 nan 8.280 nan 0.000 0.514 386 H N -0.540 118.402 119.070 -0.213 0.000 3.195 386 H HA -0.042 4.516 4.556 0.002 0.000 0.241 386 H C -0.509 174.754 175.328 -0.109 0.000 1.823 386 H CA -0.124 55.749 56.048 -0.293 0.000 1.466 386 H CB -0.531 29.050 29.762 -0.301 0.000 1.819 386 H HN 0.292 nan 8.280 nan 0.000 0.575 387 W N 1.418 122.676 121.300 -0.071 0.000 2.666 387 W HA 0.108 4.769 4.660 0.002 0.000 0.445 387 W C 0.517 177.095 176.519 0.097 0.000 0.693 387 W CA -0.771 56.611 57.345 0.061 0.000 2.192 387 W CB -1.416 28.155 29.460 0.184 0.000 1.086 387 W HN 0.741 nan 8.180 nan 0.000 0.747 388 H N 0.745 120.075 119.070 0.432 0.000 2.394 388 H HA -0.183 4.374 4.556 0.002 0.000 0.297 388 H C -0.519 174.966 175.328 0.262 0.000 1.113 388 H CA 1.791 58.029 56.048 0.317 0.000 1.277 388 H CB -1.362 28.567 29.762 0.278 0.000 1.370 388 H HN 0.034 nan 8.280 nan 0.000 0.506 389 P HA -0.120 nan 4.420 nan 0.000 0.225 389 P C 1.121 178.541 177.300 0.200 0.000 1.148 389 P CA 0.956 64.186 63.100 0.216 0.000 0.779 389 P CB 0.003 31.776 31.700 0.121 0.000 0.780 390 L N -1.614 119.749 121.223 0.234 0.000 2.187 390 L HA -0.125 4.216 4.340 0.002 0.000 0.213 390 L C 1.085 178.070 176.870 0.191 0.000 1.100 390 L CA 0.568 55.533 54.840 0.209 0.000 0.765 390 L CB -0.717 41.511 42.059 0.281 0.000 0.904 390 L HN 0.013 nan 8.230 nan 0.000 0.437 391 L N 1.579 122.933 121.223 0.218 0.000 2.455 391 L HA 0.101 4.442 4.340 0.002 0.000 0.272 391 L C -1.757 175.177 176.870 0.106 0.000 1.174 391 L CA -1.510 53.428 54.840 0.164 0.000 0.869 391 L CB -0.044 42.241 42.059 0.377 0.000 1.130 391 L HN -0.098 nan 8.230 nan 0.000 0.474 392 P HA 0.093 nan 4.420 nan 0.000 0.279 392 P C -0.356 176.732 177.300 -0.354 0.000 1.282 392 P CA -0.409 62.414 63.100 -0.461 0.000 0.788 392 P CB 1.097 32.378 31.700 -0.699 0.000 1.139 393 D N -1.331 118.819 120.400 -0.417 0.000 2.162 393 D HA -0.010 4.631 4.640 0.002 0.000 0.203 393 D C 0.849 177.059 176.300 -0.150 0.000 0.967 393 D CA 1.540 55.462 54.000 -0.130 0.000 0.840 393 D CB -0.068 40.655 40.800 -0.129 0.000 0.972 393 D HN 0.528 nan 8.370 nan 0.000 0.482 394 T N -2.512 111.812 114.554 -0.384 0.000 2.896 394 T HA 0.577 4.929 4.350 0.002 0.000 0.297 394 T C -0.723 173.616 174.700 -0.602 0.000 1.108 394 T CA -0.900 60.987 62.100 -0.355 0.000 1.004 394 T CB 1.356 70.129 68.868 -0.158 0.000 1.159 394 T HN -0.210 nan 8.240 nan 0.000 0.499 395 F N 2.076 121.844 119.950 -0.303 0.000 2.361 395 F HA 0.446 4.973 4.527 0.001 0.000 0.364 395 F C 0.401 176.133 175.800 -0.115 0.000 1.120 395 F CA -1.014 56.799 58.000 -0.312 0.000 1.102 395 F CB 0.989 39.398 39.000 -0.984 0.000 1.183 395 F HN 0.433 nan 8.300 nan 0.000 0.476 396 N N 5.388 124.114 118.700 0.044 0.000 2.589 396 N HA 0.304 5.045 4.740 0.002 0.000 0.232 396 N C -0.774 174.615 175.510 -0.202 0.000 1.015 396 N CA -0.223 52.777 53.050 -0.083 0.000 0.931 396 N CB 1.022 39.451 38.487 -0.096 0.000 1.150 396 N HN 0.326 nan 8.380 nan 0.000 0.512 397 I N 0.607 121.012 120.570 -0.275 0.000 2.354 397 I HA 0.267 4.438 4.170 0.002 0.000 0.292 397 I C 1.245 177.141 176.117 -0.368 0.000 0.989 397 I CA -0.339 60.666 61.300 -0.492 0.000 1.188 397 I CB 0.760 38.324 38.000 -0.726 0.000 1.342 397 I HN 0.589 nan 8.210 nan 0.000 0.457 398 E N 3.563 123.612 120.200 -0.252 0.000 3.287 398 E HA -0.321 4.031 4.350 0.002 0.000 0.405 398 E C 0.032 176.593 176.600 -0.065 0.000 1.541 398 E CA 2.365 58.716 56.400 -0.082 0.000 1.405 398 E CB -0.374 29.371 29.700 0.075 0.000 1.576 398 E HN 0.771 nan 8.360 nan 0.000 0.474 399 D N 0.483 120.876 120.400 -0.012 0.000 2.349 399 D HA 0.059 4.701 4.640 0.002 0.000 0.214 399 D C -0.098 176.151 176.300 -0.085 0.000 1.063 399 D CA 0.465 54.446 54.000 -0.033 0.000 0.847 399 D CB 0.198 40.998 40.800 0.001 0.000 0.933 399 D HN 0.096 nan 8.370 nan 0.000 0.513 400 Q N 0.574 120.289 119.800 -0.142 0.000 2.222 400 Q HA 0.398 4.740 4.340 0.002 0.000 0.252 400 Q C -0.231 175.518 176.000 -0.420 0.000 0.926 400 Q CA -0.042 55.560 55.803 -0.335 0.000 0.899 400 Q CB 1.832 30.259 28.738 -0.519 0.000 1.250 400 Q HN 0.139 nan 8.270 nan 0.000 0.441 401 E N 1.967 121.905 120.200 -0.436 0.000 2.267 401 E HA 0.273 4.624 4.350 0.002 0.000 0.248 401 E C -1.187 175.259 176.600 -0.258 0.000 0.899 401 E CA -0.309 55.919 56.400 -0.286 0.000 0.764 401 E CB 0.952 30.555 29.700 -0.162 0.000 1.227 401 E HN 0.375 nan 8.360 nan 0.000 0.421 402 Y N 1.212 121.547 120.300 0.058 0.000 2.313 402 Y HA 0.143 4.694 4.550 0.002 0.000 0.332 402 Y C 1.182 177.167 175.900 0.141 0.000 1.071 402 Y CA -0.712 57.471 58.100 0.139 0.000 1.169 402 Y CB 1.105 39.719 38.460 0.257 0.000 1.192 402 Y HN 0.363 nan 8.280 nan 0.000 0.487 403 S N 1.498 117.390 115.700 0.322 0.000 2.608 403 S HA 0.158 4.629 4.470 0.002 0.000 0.261 403 S C 0.879 175.722 174.600 0.406 0.000 1.314 403 S CA -0.552 57.837 58.200 0.315 0.000 0.992 403 S CB 0.341 63.704 63.200 0.272 0.000 0.935 403 S HN 0.601 nan 8.310 nan 0.000 0.564 404 F N 0.976 121.129 119.950 0.338 0.000 2.091 404 F HA -0.141 4.388 4.527 0.004 0.000 0.299 404 F C 2.981 178.954 175.800 0.288 0.000 1.103 404 F CA 1.865 60.086 58.000 0.368 0.000 1.228 404 F CB -0.661 38.514 39.000 0.292 0.000 0.984 404 F HN 0.464 nan 8.300 nan 0.000 0.477 405 K N -0.397 120.252 120.400 0.414 0.000 2.103 405 K HA -0.219 4.102 4.320 0.002 0.000 0.207 405 K C 1.886 178.639 176.600 0.255 0.000 1.048 405 K CA 1.729 58.190 56.287 0.289 0.000 0.930 405 K CB -0.719 31.913 32.500 0.221 0.000 0.716 405 K HN 0.529 nan 8.250 nan 0.000 0.444 406 Q N -1.776 118.193 119.800 0.282 0.000 2.187 406 Q HA 0.104 4.446 4.340 0.002 0.000 0.199 406 Q C 1.878 177.993 176.000 0.192 0.000 0.957 406 Q CA 1.227 57.181 55.803 0.252 0.000 0.857 406 Q CB -0.099 28.854 28.738 0.359 0.000 0.929 406 Q HN 0.404 nan 8.270 nan 0.000 0.453 407 F N 0.694 120.661 119.950 0.029 0.000 2.270 407 F HA 0.051 4.578 4.527 0.001 0.000 0.295 407 F C 0.428 176.152 175.800 -0.127 0.000 1.087 407 F CA 0.058 57.971 58.000 -0.145 0.000 1.365 407 F CB 0.237 39.053 39.000 -0.306 0.000 1.056 407 F HN -0.038 nan 8.300 nan 0.000 0.506 408 L N 1.167 122.428 121.223 0.064 0.000 2.534 408 L HA -0.064 4.278 4.340 0.002 0.000 0.271 408 L C -0.397 176.498 176.870 0.041 0.000 1.178 408 L CA 0.661 55.485 54.840 -0.026 0.000 0.907 408 L CB -1.032 41.106 42.059 0.131 0.000 1.164 408 L HN 0.353 nan 8.230 nan 0.000 0.482 409 Y N 1.159 121.427 120.300 -0.053 0.000 4.409 409 Y HA -0.290 4.261 4.550 0.002 0.000 0.228 409 Y C 0.723 176.590 175.900 -0.054 0.000 1.108 409 Y CA 0.410 58.504 58.100 -0.011 0.000 1.955 409 Y CB -1.737 36.759 38.460 0.061 0.000 1.615 409 Y HN 0.680 nan 8.280 nan 0.000 0.665 410 N N 1.167 119.823 118.700 -0.073 0.000 2.955 410 N HA 0.212 4.953 4.740 0.002 0.000 0.242 410 N C 0.599 175.985 175.510 -0.208 0.000 1.123 410 N CA -0.148 52.827 53.050 -0.125 0.000 0.949 410 N CB 0.133 38.532 38.487 -0.147 0.000 1.214 410 N HN 0.214 nan 8.380 nan 0.000 0.504 411 N N -0.090 118.504 118.700 -0.176 0.000 2.520 411 N HA -0.071 4.670 4.740 0.002 0.000 0.185 411 N C 1.325 176.720 175.510 -0.192 0.000 1.068 411 N CA 0.384 53.313 53.050 -0.202 0.000 0.911 411 N CB 0.260 38.557 38.487 -0.317 0.000 0.961 411 N HN 0.284 nan 8.380 nan 0.000 0.446 412 S N 1.205 116.804 115.700 -0.168 0.000 2.370 412 S HA -0.029 4.443 4.470 0.002 0.000 0.226 412 S C 1.983 176.540 174.600 -0.072 0.000 1.033 412 S CA 0.640 58.767 58.200 -0.121 0.000 1.011 412 S CB -0.100 63.048 63.200 -0.086 0.000 0.852 412 S HN 0.287 nan 8.310 nan 0.000 0.457 413 I N 0.761 121.291 120.570 -0.067 0.000 2.208 413 I HA -0.210 3.962 4.170 0.002 0.000 0.245 413 I C 2.257 178.503 176.117 0.215 0.000 1.097 413 I CA 0.900 62.247 61.300 0.078 0.000 1.363 413 I CB -0.336 37.603 38.000 -0.101 0.000 1.051 413 I HN 0.276 nan 8.210 nan 0.000 0.413 414 L N 0.271 121.461 121.223 -0.056 0.000 2.056 414 L HA -0.164 4.178 4.340 0.002 0.000 0.207 414 L C 2.177 178.937 176.870 -0.183 0.000 1.078 414 L CA 1.829 56.440 54.840 -0.383 0.000 0.749 414 L CB -0.453 41.312 42.059 -0.490 0.000 0.901 414 L HN 0.080 nan 8.230 nan 0.000 0.433 415 L N -0.552 120.579 121.223 -0.153 0.000 2.109 415 L HA -0.124 4.217 4.340 0.002 0.000 0.207 415 L C 2.531 179.380 176.870 -0.036 0.000 1.086 415 L CA 1.514 56.273 54.840 -0.136 0.000 0.760 415 L CB -0.673 41.268 42.059 -0.196 0.000 0.910 415 L HN 0.399 nan 8.230 nan 0.000 0.437 416 E N -1.324 118.854 120.200 -0.037 0.000 2.047 416 E HA -0.214 4.137 4.350 0.002 0.000 0.191 416 E C 2.043 178.584 176.600 -0.099 0.000 0.987 416 E CA 1.172 57.519 56.400 -0.088 0.000 0.799 416 E CB 0.049 29.658 29.700 -0.151 0.000 0.752 416 E HN 0.585 nan 8.360 nan 0.000 0.449 417 H N -0.786 118.360 119.070 0.126 0.000 2.431 417 H HA 0.168 4.725 4.556 0.001 0.000 0.295 417 H C 1.125 176.532 175.328 0.132 0.000 1.038 417 H CA 0.994 57.142 56.048 0.167 0.000 1.360 417 H CB 0.595 30.535 29.762 0.296 0.000 1.433 417 H HN 0.307 nan 8.280 nan 0.000 0.536 418 G N 0.272 109.192 108.800 0.199 0.000 2.699 418 G HA2 -0.215 3.747 3.960 0.002 0.000 0.686 418 G HA3 -0.215 3.747 3.960 0.002 0.000 0.686 418 G C 0.282 175.223 174.900 0.069 0.000 1.301 418 G CA -0.163 45.003 45.100 0.111 0.000 0.816 418 G HN 0.147 nan 8.290 nan 0.000 0.595 419 L N 0.796 122.013 121.223 -0.010 0.000 2.093 419 L HA 0.045 4.386 4.340 0.002 0.000 0.208 419 L C 3.253 180.147 176.870 0.040 0.000 1.085 419 L CA 3.105 57.922 54.840 -0.039 0.000 0.755 419 L CB -0.962 41.026 42.059 -0.120 0.000 0.904 419 L HN 0.847 nan 8.230 nan 0.000 0.435 420 T N -1.575 112.997 114.554 0.029 0.000 2.652 420 T HA -0.295 4.057 4.350 0.002 0.000 0.267 420 T C 1.848 176.588 174.700 0.067 0.000 1.039 420 T CA 1.653 63.773 62.100 0.033 0.000 1.153 420 T CB -0.194 68.688 68.868 0.023 0.000 0.863 420 T HN 0.199 nan 8.240 nan 0.000 0.428 421 Q N -0.013 119.851 119.800 0.106 0.000 2.119 421 Q HA 0.010 4.351 4.340 0.002 0.000 0.201 421 Q C 1.858 177.889 176.000 0.051 0.000 0.972 421 Q CA 1.345 57.206 55.803 0.097 0.000 0.847 421 Q CB -0.658 28.178 28.738 0.162 0.000 0.903 421 Q HN 0.479 nan 8.270 nan 0.000 0.433 422 F N -0.848 119.029 119.950 -0.121 0.000 2.065 422 F HA -0.231 4.296 4.527 0.000 0.000 0.298 422 F C 2.210 177.922 175.800 -0.146 0.000 1.112 422 F CA 1.306 59.168 58.000 -0.229 0.000 1.212 422 F CB -0.714 38.215 39.000 -0.119 0.000 0.975 422 F HN -0.059 nan 8.300 nan 0.000 0.476 423 V N -0.344 119.647 119.914 0.128 0.000 2.295 423 V HA -0.286 3.835 4.120 0.002 0.000 0.246 423 V C 2.181 178.319 176.094 0.072 0.000 1.049 423 V CA 2.103 64.459 62.300 0.093 0.000 1.024 423 V CB -0.630 31.210 31.823 0.028 0.000 0.648 423 V HN 0.311 nan 8.190 nan 0.000 0.447 424 E N 0.029 120.253 120.200 0.040 0.000 2.077 424 E HA -0.180 4.171 4.350 0.002 0.000 0.193 424 E C 2.421 179.032 176.600 0.019 0.000 0.989 424 E CA 1.698 58.124 56.400 0.043 0.000 0.800 424 E CB -0.190 29.530 29.700 0.033 0.000 0.746 424 E HN 0.528 nan 8.360 nan 0.000 0.452 425 S N 0.226 115.876 115.700 -0.083 0.000 2.357 425 S HA -0.075 4.396 4.470 0.002 0.000 0.221 425 S C 1.595 176.196 174.600 0.001 0.000 1.031 425 S CA 0.741 58.853 58.200 -0.147 0.000 0.982 425 S CB -0.182 62.781 63.200 -0.395 0.000 0.853 425 S HN 0.169 nan 8.310 nan 0.000 0.458 426 F N 2.348 122.308 119.950 0.017 0.000 2.407 426 F HA 0.008 4.538 4.527 0.006 0.000 0.299 426 F C 2.606 178.480 175.800 0.122 0.000 1.097 426 F CA 0.464 58.519 58.000 0.091 0.000 1.422 426 F CB -1.617 37.486 39.000 0.172 0.000 1.067 426 F HN 0.146 nan 8.300 nan 0.000 0.539 427 T N -0.541 114.178 114.554 0.274 0.000 2.867 427 T HA -0.129 4.222 4.350 0.002 0.000 0.268 427 T C 2.127 176.932 174.700 0.175 0.000 1.057 427 T CA 1.037 63.256 62.100 0.198 0.000 1.136 427 T CB -0.095 68.858 68.868 0.142 0.000 0.874 427 T HN 0.231 nan 8.240 nan 0.000 0.466 428 R N 0.626 121.217 120.500 0.152 0.000 2.161 428 R HA 0.145 4.486 4.340 0.002 0.000 0.213 428 R C 1.366 177.727 176.300 0.103 0.000 1.055 428 R CA 0.196 56.362 56.100 0.109 0.000 0.996 428 R CB 0.088 30.428 30.300 0.068 0.000 0.901 428 R HN 0.397 nan 8.270 nan 0.000 0.456 429 Q N 1.835 121.719 119.800 0.140 0.000 2.307 429 Q HA 0.117 4.458 4.340 0.002 0.000 0.259 429 Q C -0.675 175.386 176.000 0.102 0.000 0.998 429 Q CA -0.297 55.572 55.803 0.109 0.000 0.923 429 Q CB 0.749 29.576 28.738 0.149 0.000 1.196 429 Q HN 0.029 nan 8.270 nan 0.000 0.416 430 I N 3.637 124.260 120.570 0.087 0.000 2.754 430 I HA 0.221 4.392 4.170 0.002 0.000 0.285 430 I C -0.385 175.834 176.117 0.171 0.000 1.166 430 I CA 0.491 61.864 61.300 0.122 0.000 1.417 430 I CB 0.868 38.953 38.000 0.141 0.000 1.382 430 I HN 0.767 nan 8.210 nan 0.000 0.588 431 A N 5.235 128.151 122.820 0.160 0.000 2.256 431 A HA 0.779 5.100 4.320 0.002 0.000 0.318 431 A C 0.199 177.913 177.584 0.216 0.000 1.103 431 A CA -0.128 52.022 52.037 0.188 0.000 0.860 431 A CB 0.213 19.293 19.000 0.133 0.000 1.182 431 A HN 0.906 nan 8.150 nan 0.000 0.501 432 G N -0.465 108.460 108.800 0.209 0.000 2.507 432 G HA2 0.479 4.440 3.960 0.002 0.000 0.271 432 G HA3 0.479 4.440 3.960 0.002 0.000 0.271 432 G C 0.069 174.880 174.900 -0.150 0.000 1.189 432 G CA -0.610 44.446 45.100 -0.072 0.000 0.859 432 G HN 0.843 nan 8.290 nan 0.000 0.542 433 R N 0.896 121.237 120.500 -0.265 0.000 2.438 433 R HA 0.265 4.606 4.340 0.002 0.000 0.287 433 R C 0.825 177.026 176.300 -0.165 0.000 1.077 433 R CA -0.531 55.424 56.100 -0.241 0.000 1.034 433 R CB 0.985 31.134 30.300 -0.251 0.000 0.993 433 R HN 0.261 nan 8.270 nan 0.000 0.459 434 V N 3.583 123.389 119.914 -0.180 0.000 2.374 434 V HA 0.063 4.185 4.120 0.002 0.000 0.241 434 V C 1.078 177.139 176.094 -0.056 0.000 1.034 434 V CA 1.520 63.770 62.300 -0.082 0.000 1.037 434 V CB -0.485 31.292 31.823 -0.077 0.000 0.682 434 V HN 0.899 nan 8.190 nan 0.000 0.463 435 A N -0.566 122.220 122.820 -0.058 0.000 2.249 435 A HA 0.539 4.860 4.320 0.002 0.000 0.281 435 A C 1.510 179.044 177.584 -0.084 0.000 1.127 435 A CA 0.553 52.558 52.037 -0.054 0.000 0.833 435 A CB -0.089 18.896 19.000 -0.024 0.000 1.140 435 A HN 1.370 nan 8.150 nan 0.000 0.502 436 G N -1.902 106.852 108.800 -0.076 0.000 2.213 436 G HA2 0.355 4.316 3.960 0.002 0.000 0.236 436 G HA3 0.355 4.316 3.960 0.002 0.000 0.236 436 G C 1.612 176.470 174.900 -0.071 0.000 0.991 436 G CA 0.635 45.688 45.100 -0.078 0.000 0.629 436 G HN 3.081 nan 8.290 nan 0.000 0.517 437 G N -0.708 108.052 108.800 -0.068 0.000 2.690 437 G HA2 0.321 4.282 3.960 0.002 0.000 0.686 437 G HA3 0.321 4.282 3.960 0.002 0.000 0.686 437 G C 0.200 175.071 174.900 -0.048 0.000 1.277 437 G CA 0.337 45.404 45.100 -0.056 0.000 0.799 437 G HN 1.635 nan 8.290 nan 0.000 0.613 438 R N -0.857 119.624 120.500 -0.031 0.000 3.264 438 R HA -0.218 4.124 4.340 0.002 0.000 0.251 438 R C 0.517 176.807 176.300 -0.017 0.000 0.971 438 R CA 1.084 57.172 56.100 -0.019 0.000 0.658 438 R CB -1.198 29.088 30.300 -0.022 0.000 1.095 438 R HN 0.757 nan 8.270 nan 0.000 0.443 439 N N -0.764 117.934 118.700 -0.004 0.000 2.217 439 N HA 0.091 4.832 4.740 0.002 0.000 0.239 439 N C -0.934 174.616 175.510 0.067 0.000 1.330 439 N CA -0.035 53.018 53.050 0.005 0.000 0.838 439 N CB 1.179 39.633 38.487 -0.056 0.000 1.287 439 N HN 0.052 nan 8.380 nan 0.000 0.498 440 V N 2.908 122.868 119.914 0.077 0.000 2.455 440 V HA 0.347 4.469 4.120 0.002 0.000 0.273 440 V C -1.997 174.141 176.094 0.075 0.000 1.045 440 V CA -1.326 61.041 62.300 0.112 0.000 0.976 440 V CB 0.953 32.844 31.823 0.114 0.000 0.993 440 V HN 0.121 nan 8.190 nan 0.000 0.475 441 P HA 0.138 nan 4.420 nan 0.000 0.268 441 P C 0.897 178.153 177.300 -0.074 0.000 1.205 441 P CA 0.023 63.133 63.100 0.017 0.000 0.771 441 P CB 0.770 32.480 31.700 0.017 0.000 0.858 442 I N 2.728 123.247 120.570 -0.085 0.000 2.676 442 I HA -0.206 3.965 4.170 0.002 0.000 0.259 442 I C 1.880 177.898 176.117 -0.166 0.000 1.194 442 I CA 1.230 62.474 61.300 -0.094 0.000 1.473 442 I CB -0.183 37.786 38.000 -0.052 0.000 1.096 442 I HN 0.356 nan 8.210 nan 0.000 0.443 443 A N 0.237 122.868 122.820 -0.314 0.000 1.986 443 A HA -0.193 4.129 4.320 0.002 0.000 0.220 443 A C 1.881 179.270 177.584 -0.325 0.000 1.171 443 A CA 2.042 53.810 52.037 -0.449 0.000 0.640 443 A CB -0.958 17.352 19.000 -1.150 0.000 0.811 443 A HN 0.503 nan 8.150 nan 0.000 0.451 444 V N -1.503 118.244 119.914 -0.279 0.000 3.099 444 V HA 0.125 4.246 4.120 0.002 0.000 0.356 444 V C 1.468 177.462 176.094 -0.166 0.000 1.364 444 V CA 0.498 62.697 62.300 -0.167 0.000 1.229 444 V CB -0.878 30.889 31.823 -0.093 0.000 1.227 444 V HN 0.733 nan 8.190 nan 0.000 0.493 445 Q N 1.736 121.460 119.800 -0.127 0.000 2.135 445 Q HA -0.123 4.218 4.340 0.002 0.000 0.204 445 Q C 2.031 177.973 176.000 -0.096 0.000 0.981 445 Q CA 2.318 58.065 55.803 -0.094 0.000 0.856 445 Q CB -0.502 28.198 28.738 -0.063 0.000 0.902 445 Q HN 0.620 nan 8.270 nan 0.000 0.425 446 A N 1.081 123.846 122.820 -0.091 0.000 1.969 446 A HA -0.068 4.253 4.320 0.002 0.000 0.218 446 A C 2.312 179.830 177.584 -0.110 0.000 1.169 446 A CA 1.418 53.406 52.037 -0.081 0.000 0.635 446 A CB -0.570 18.395 19.000 -0.059 0.000 0.810 446 A HN 0.267 nan 8.150 nan 0.000 0.445 447 V N -0.195 119.629 119.914 -0.151 0.000 2.323 447 V HA -0.182 3.939 4.120 0.002 0.000 0.244 447 V C 3.019 178.941 176.094 -0.287 0.000 1.041 447 V CA 1.712 63.897 62.300 -0.192 0.000 1.025 447 V CB -1.464 30.245 31.823 -0.190 0.000 0.656 447 V HN 0.570 nan 8.190 nan 0.000 0.451 448 A N 0.121 122.720 122.820 -0.368 0.000 1.917 448 A HA -0.308 4.013 4.320 0.002 0.000 0.219 448 A C 2.375 179.930 177.584 -0.048 0.000 1.182 448 A CA 2.461 54.408 52.037 -0.150 0.000 0.633 448 A CB -0.553 18.435 19.000 -0.020 0.000 0.819 448 A HN 0.533 nan 8.150 nan 0.000 0.448 449 K N -0.471 119.890 120.400 -0.066 0.000 2.057 449 K HA -0.061 4.261 4.320 0.002 0.000 0.206 449 K C 2.170 178.711 176.600 -0.098 0.000 1.050 449 K CA 1.139 57.397 56.287 -0.047 0.000 0.935 449 K CB -0.342 32.132 32.500 -0.044 0.000 0.715 449 K HN 0.366 nan 8.250 nan 0.000 0.439 450 A N 0.711 123.450 122.820 -0.134 0.000 1.940 450 A HA -0.161 4.160 4.320 0.002 0.000 0.219 450 A C 2.126 179.562 177.584 -0.246 0.000 1.176 450 A CA 2.137 54.082 52.037 -0.154 0.000 0.631 450 A CB -0.600 18.319 19.000 -0.134 0.000 0.814 450 A HN 0.377 nan 8.150 nan 0.000 0.446 451 S N -0.251 115.208 115.700 -0.401 0.000 2.382 451 S HA -0.102 4.369 4.470 0.002 0.000 0.228 451 S C 1.772 176.072 174.600 -0.500 0.000 1.027 451 S CA 1.468 59.239 58.200 -0.716 0.000 0.991 451 S CB -0.455 61.884 63.200 -1.435 0.000 0.823 451 S HN 0.576 nan 8.310 nan 0.000 0.469 452 I N 1.653 122.077 120.570 -0.244 0.000 2.202 452 I HA -0.162 4.010 4.170 0.002 0.000 0.242 452 I C 2.015 178.069 176.117 -0.105 0.000 1.091 452 I CA 1.117 62.379 61.300 -0.064 0.000 1.368 452 I CB -0.392 37.649 38.000 0.069 0.000 1.058 452 I HN 0.157 nan 8.210 nan 0.000 0.410 453 D N 0.548 120.884 120.400 -0.106 0.000 2.117 453 D HA -0.180 4.461 4.640 0.002 0.000 0.198 453 D C 2.244 178.477 176.300 -0.110 0.000 0.982 453 D CA 1.251 55.200 54.000 -0.084 0.000 0.828 453 D CB -0.224 40.537 40.800 -0.065 0.000 0.967 453 D HN 0.442 nan 8.370 nan 0.000 0.464 454 Q N 0.381 120.086 119.800 -0.158 0.000 2.083 454 Q HA -0.079 4.263 4.340 0.002 0.000 0.198 454 Q C 2.301 178.140 176.000 -0.268 0.000 0.969 454 Q CA 1.418 57.125 55.803 -0.160 0.000 0.838 454 Q CB 0.006 28.659 28.738 -0.142 0.000 0.900 454 Q HN 0.259 nan 8.270 nan 0.000 0.436 455 S N 0.477 115.915 115.700 -0.437 0.000 2.423 455 S HA -0.111 4.361 4.470 0.002 0.000 0.231 455 S C 1.756 176.117 174.600 -0.399 0.000 1.014 455 S CA 0.658 58.374 58.200 -0.807 0.000 0.965 455 S CB -0.125 62.493 63.200 -0.969 0.000 0.785 455 S HN 0.258 nan 8.310 nan 0.000 0.495 456 R N 1.218 121.611 120.500 -0.177 0.000 2.073 456 R HA 0.074 4.415 4.340 0.002 0.000 0.229 456 R C 2.456 178.744 176.300 -0.020 0.000 1.120 456 R CA 1.448 57.521 56.100 -0.046 0.000 0.967 456 R CB -0.275 30.015 30.300 -0.016 0.000 0.862 456 R HN 0.567 nan 8.270 nan 0.000 0.436 457 E N 0.542 120.718 120.200 -0.039 0.000 2.118 457 E HA -0.164 4.187 4.350 0.002 0.000 0.195 457 E C 1.572 178.190 176.600 0.030 0.000 0.992 457 E CA 1.247 57.649 56.400 0.003 0.000 0.804 457 E CB -0.002 29.701 29.700 0.005 0.000 0.741 457 E HN 0.292 nan 8.360 nan 0.000 0.458 458 M N 0.537 120.139 119.600 0.004 0.000 2.628 458 M HA 0.051 4.532 4.480 0.002 0.000 0.232 458 M C -0.449 175.960 176.300 0.182 0.000 1.128 458 M CA 0.246 55.597 55.300 0.086 0.000 1.040 458 M CB 0.342 33.000 32.600 0.096 0.000 1.608 458 M HN -0.186 nan 8.290 nan 0.000 0.507 459 K N 0.417 120.899 120.400 0.138 0.000 3.419 459 K HA -0.193 4.129 4.320 0.002 0.000 0.272 459 K C -1.308 175.458 176.600 0.277 0.000 0.973 459 K CA 0.682 57.063 56.287 0.157 0.000 0.749 459 K CB -2.226 30.333 32.500 0.099 0.000 1.403 459 K HN 0.275 nan 8.250 nan 0.000 0.456 460 Y N 1.216 121.566 120.300 0.083 0.000 2.511 460 Y HA 0.032 4.583 4.550 0.002 0.000 0.332 460 Y C 1.792 177.797 175.900 0.174 0.000 1.177 460 Y CA -0.253 57.940 58.100 0.155 0.000 1.422 460 Y CB 0.540 39.080 38.460 0.133 0.000 1.271 460 Y HN 0.214 nan 8.280 nan 0.000 0.550 461 Q N 1.062 121.041 119.800 0.297 0.000 2.535 461 Q HA 0.193 4.534 4.340 0.002 0.000 0.228 461 Q C 0.332 176.511 176.000 0.299 0.000 1.062 461 Q CA -0.257 55.647 55.803 0.168 0.000 0.967 461 Q CB 0.521 29.205 28.738 -0.090 0.000 1.273 461 Q HN 0.804 nan 8.270 nan 0.000 0.554 462 S N 0.005 115.810 115.700 0.175 0.000 2.600 462 S HA 0.009 4.480 4.470 0.002 0.000 0.265 462 S C 0.982 175.735 174.600 0.255 0.000 1.325 462 S CA -0.598 57.711 58.200 0.183 0.000 1.002 462 S CB 0.532 63.788 63.200 0.093 0.000 0.921 462 S HN 0.660 nan 8.310 nan 0.000 0.554 463 L N 1.525 122.858 121.223 0.183 0.000 1.997 463 L HA -0.190 4.151 4.340 0.002 0.000 0.216 463 L C 2.020 178.989 176.870 0.166 0.000 1.074 463 L CA 2.213 57.158 54.840 0.174 0.000 0.763 463 L CB -1.318 40.794 42.059 0.089 0.000 0.890 463 L HN 0.766 nan 8.230 nan 0.000 0.434 464 N N -0.412 118.340 118.700 0.087 0.000 2.309 464 N HA -0.146 4.596 4.740 0.002 0.000 0.182 464 N C 1.740 177.257 175.510 0.013 0.000 1.018 464 N CA 1.112 54.181 53.050 0.032 0.000 0.876 464 N CB -0.238 38.245 38.487 -0.007 0.000 0.972 464 N HN 0.487 nan 8.380 nan 0.000 0.434 465 E N -0.044 120.161 120.200 0.009 0.000 2.077 465 E HA -0.121 4.230 4.350 0.002 0.000 0.193 465 E C 1.705 178.236 176.600 -0.115 0.000 0.989 465 E CA 0.835 57.182 56.400 -0.088 0.000 0.800 465 E CB -0.386 29.224 29.700 -0.151 0.000 0.746 465 E HN 0.529 nan 8.360 nan 0.000 0.452 466 Y N 0.789 121.121 120.300 0.053 0.000 2.314 466 Y HA -0.058 4.494 4.550 0.003 0.000 0.293 466 Y C 2.591 178.597 175.900 0.178 0.000 1.129 466 Y CA 1.007 59.189 58.100 0.136 0.000 1.201 466 Y CB 0.024 38.550 38.460 0.111 0.000 0.999 466 Y HN -0.044 nan 8.280 nan 0.000 0.541 467 R N 0.267 120.890 120.500 0.205 0.000 2.081 467 R HA -0.159 4.183 4.340 0.002 0.000 0.235 467 R C 2.122 178.470 176.300 0.080 0.000 1.131 467 R CA 1.535 57.699 56.100 0.107 0.000 0.960 467 R CB -0.195 30.091 30.300 -0.023 0.000 0.856 467 R HN 0.293 nan 8.270 nan 0.000 0.436 468 K N -0.001 120.409 120.400 0.016 0.000 2.097 468 K HA -0.173 4.148 4.320 0.002 0.000 0.206 468 K C 2.116 178.689 176.600 -0.046 0.000 1.049 468 K CA 1.144 57.408 56.287 -0.038 0.000 0.933 468 K CB -0.109 32.341 32.500 -0.083 0.000 0.717 468 K HN -0.076 nan 8.250 nan 0.000 0.442 469 R N 0.713 121.192 120.500 -0.035 0.000 2.127 469 R HA -0.101 4.241 4.340 0.002 0.000 0.238 469 R C 0.885 177.021 176.300 -0.275 0.000 1.134 469 R CA 1.511 57.520 56.100 -0.152 0.000 0.975 469 R CB -0.278 29.934 30.300 -0.147 0.000 0.865 469 R HN 0.096 nan 8.270 nan 0.000 0.447 470 F N 0.150 120.083 119.950 -0.029 0.000 2.750 470 F HA 0.299 4.828 4.527 0.003 0.000 0.297 470 F C 0.421 176.210 175.800 -0.018 0.000 1.138 470 F CA -0.018 57.965 58.000 -0.027 0.000 1.346 470 F CB 0.439 39.428 39.000 -0.020 0.000 0.965 470 F HN -0.088 nan 8.300 nan 0.000 0.514 471 S N 0.392 116.133 115.700 0.068 0.000 3.586 471 S HA -0.183 4.288 4.470 0.002 0.000 0.309 471 S C 0.040 174.662 174.600 0.037 0.000 1.195 471 S CA 0.193 58.419 58.200 0.043 0.000 0.895 471 S CB -2.096 61.140 63.200 0.060 0.000 0.983 471 S HN 0.291 nan 8.310 nan 0.000 0.563 472 L N 0.468 121.707 121.223 0.027 0.000 2.375 472 L HA 0.495 4.836 4.340 0.002 0.000 0.268 472 L C 0.647 177.469 176.870 -0.080 0.000 1.058 472 L CA -0.830 53.992 54.840 -0.030 0.000 0.803 472 L CB 0.779 42.807 42.059 -0.051 0.000 1.212 472 L HN 0.017 nan 8.230 nan 0.000 0.451 473 K N 2.761 123.087 120.400 -0.123 0.000 2.339 473 K HA 0.256 4.577 4.320 0.002 0.000 0.286 473 K C -2.368 174.093 176.600 -0.232 0.000 1.050 473 K CA -1.503 54.700 56.287 -0.141 0.000 0.956 473 K CB 0.592 33.020 32.500 -0.119 0.000 0.990 473 K HN 0.359 nan 8.250 nan 0.000 0.475 474 P HA -0.009 nan 4.420 nan 0.000 0.265 474 P C -0.568 176.626 177.300 -0.178 0.000 1.193 474 P CA -0.002 62.997 63.100 -0.168 0.000 0.765 474 P CB 0.110 31.757 31.700 -0.088 0.000 0.823 475 Y N 1.195 121.449 120.300 -0.078 0.000 2.610 475 Y HA 0.003 4.555 4.550 0.002 0.000 0.332 475 Y C 2.185 178.010 175.900 -0.126 0.000 1.201 475 Y CA 0.784 58.821 58.100 -0.105 0.000 1.465 475 Y CB -0.109 38.265 38.460 -0.143 0.000 1.283 475 Y HN 0.407 nan 8.280 nan 0.000 0.563 476 T N -2.427 112.174 114.554 0.078 0.000 3.060 476 T HA 0.253 4.605 4.350 0.002 0.000 0.249 476 T C 0.205 174.886 174.700 -0.031 0.000 1.079 476 T CA 0.382 62.485 62.100 0.005 0.000 1.013 476 T CB -0.183 68.693 68.868 0.013 0.000 0.975 476 T HN 0.522 nan 8.240 nan 0.000 0.518 477 S N -1.018 114.645 115.700 -0.062 0.000 2.587 477 S HA 0.567 5.038 4.470 0.002 0.000 0.269 477 S C -0.241 174.241 174.600 -0.196 0.000 1.154 477 S CA -0.940 57.204 58.200 -0.095 0.000 0.824 477 S CB 0.212 63.420 63.200 0.013 0.000 1.118 477 S HN -0.088 nan 8.310 nan 0.000 0.462 478 F N 1.083 121.006 119.950 -0.045 0.000 2.234 478 F HA 0.124 4.652 4.527 0.002 0.000 0.299 478 F C 2.522 178.254 175.800 -0.114 0.000 1.087 478 F CA 1.421 59.366 58.000 -0.092 0.000 1.340 478 F CB -0.330 38.638 39.000 -0.053 0.000 1.031 478 F HN 0.720 nan 8.300 nan 0.000 0.500 479 E N -0.012 120.242 120.200 0.090 0.000 2.110 479 E HA -0.248 4.103 4.350 0.002 0.000 0.193 479 E C 2.112 178.690 176.600 -0.037 0.000 0.988 479 E CA 1.196 57.610 56.400 0.023 0.000 0.804 479 E CB -0.205 29.515 29.700 0.034 0.000 0.745 479 E HN 0.472 nan 8.360 nan 0.000 0.458 480 E N 0.611 120.781 120.200 -0.050 0.000 2.150 480 E HA -0.197 4.154 4.350 0.002 0.000 0.193 480 E C 2.126 178.569 176.600 -0.261 0.000 0.985 480 E CA 0.445 56.818 56.400 -0.046 0.000 0.814 480 E CB 0.079 29.822 29.700 0.072 0.000 0.752 480 E HN 0.110 nan 8.360 nan 0.000 0.466 481 L N 0.780 121.675 121.223 -0.546 0.000 2.005 481 L HA -0.133 4.209 4.340 0.002 0.000 0.207 481 L C 2.468 179.076 176.870 -0.437 0.000 1.072 481 L CA 2.666 56.935 54.840 -0.952 0.000 0.744 481 L CB -0.848 40.751 42.059 -0.767 0.000 0.895 481 L HN 0.235 nan 8.230 nan 0.000 0.433 482 T N -3.855 110.566 114.554 -0.221 0.000 3.065 482 T HA 0.263 4.614 4.350 0.002 0.000 0.252 482 T C 1.468 176.119 174.700 -0.082 0.000 1.099 482 T CA 0.320 62.347 62.100 -0.122 0.000 1.063 482 T CB -0.449 68.379 68.868 -0.066 0.000 0.948 482 T HN 0.729 nan 8.240 nan 0.000 0.506 483 G N 1.401 110.157 108.800 -0.073 0.000 2.225 483 G HA2 -0.234 3.727 3.960 0.002 0.000 0.267 483 G HA3 -0.234 3.727 3.960 0.002 0.000 0.267 483 G C -0.182 174.702 174.900 -0.026 0.000 1.024 483 G CA 0.690 45.768 45.100 -0.037 0.000 0.784 483 G HN 0.949 nan 8.290 nan 0.000 0.507 484 E N -1.621 118.564 120.200 -0.025 0.000 2.449 484 E HA 0.459 4.810 4.350 0.002 0.000 0.278 484 E C 0.274 176.869 176.600 -0.010 0.000 1.059 484 E CA -0.708 55.681 56.400 -0.019 0.000 0.854 484 E CB 0.290 29.974 29.700 -0.027 0.000 1.465 484 E HN 0.040 nan 8.360 nan 0.000 0.462 485 K N 0.077 120.471 120.400 -0.009 0.000 2.344 485 K HA 0.111 4.432 4.320 0.002 0.000 0.200 485 K C 1.696 178.290 176.600 -0.010 0.000 1.132 485 K CA 0.307 56.592 56.287 -0.004 0.000 0.935 485 K CB 0.398 32.896 32.500 -0.003 0.000 1.089 485 K HN 0.448 nan 8.250 nan 0.000 0.496 486 E N 1.230 121.421 120.200 -0.015 0.000 2.028 486 E HA -0.129 4.222 4.350 0.002 0.000 0.191 486 E C 1.970 178.554 176.600 -0.026 0.000 0.988 486 E CA 1.169 57.557 56.400 -0.020 0.000 0.799 486 E CB 0.134 29.822 29.700 -0.020 0.000 0.755 486 E HN 0.146 nan 8.360 nan 0.000 0.447 487 M N 0.209 119.794 119.600 -0.025 0.000 2.132 487 M HA -0.114 4.367 4.480 0.002 0.000 0.263 487 M C 2.454 178.734 176.300 -0.033 0.000 1.065 487 M CA 1.312 56.596 55.300 -0.027 0.000 1.122 487 M CB -0.162 32.424 32.600 -0.024 0.000 1.365 487 M HN 0.202 nan 8.290 nan 0.000 0.411 488 A N 0.627 123.438 122.820 -0.015 0.000 1.908 488 A HA -0.134 4.187 4.320 0.002 0.000 0.218 488 A C 2.371 179.916 177.584 -0.065 0.000 1.181 488 A CA 2.132 54.176 52.037 0.012 0.000 0.627 488 A CB -0.972 18.060 19.000 0.052 0.000 0.818 488 A HN 0.508 nan 8.150 nan 0.000 0.445 489 A N -0.541 122.247 122.820 -0.054 0.000 1.902 489 A HA -0.135 4.186 4.320 0.002 0.000 0.217 489 A C 1.947 179.461 177.584 -0.117 0.000 1.181 489 A CA 1.677 53.670 52.037 -0.074 0.000 0.623 489 A CB -0.441 18.534 19.000 -0.041 0.000 0.818 489 A HN 0.471 nan 8.150 nan 0.000 0.443 490 E N 0.222 120.364 120.200 -0.097 0.000 2.058 490 E HA -0.178 4.173 4.350 0.002 0.000 0.194 490 E C 2.071 178.583 176.600 -0.146 0.000 0.997 490 E CA 1.144 57.486 56.400 -0.096 0.000 0.801 490 E CB -0.581 29.084 29.700 -0.059 0.000 0.746 490 E HN 0.669 nan 8.360 nan 0.000 0.450 491 L N 0.692 121.798 121.223 -0.194 0.000 2.083 491 L HA -0.194 4.147 4.340 0.002 0.000 0.209 491 L C 2.568 179.016 176.870 -0.704 0.000 1.083 491 L CA 1.216 55.883 54.840 -0.288 0.000 0.752 491 L CB -0.353 41.554 42.059 -0.253 0.000 0.899 491 L HN 0.073 nan 8.230 nan 0.000 0.433 492 K N 0.571 120.448 120.400 -0.873 0.000 2.097 492 K HA -0.154 4.167 4.320 0.002 0.000 0.206 492 K C 1.979 178.395 176.600 -0.307 0.000 1.049 492 K CA 1.540 57.371 56.287 -0.760 0.000 0.933 492 K CB -0.203 32.101 32.500 -0.327 0.000 0.717 492 K HN 0.240 nan 8.250 nan 0.000 0.442 493 A N 0.343 123.035 122.820 -0.214 0.000 1.929 493 A HA -0.006 4.316 4.320 0.002 0.000 0.216 493 A C 2.132 179.642 177.584 -0.123 0.000 1.176 493 A CA 1.209 53.172 52.037 -0.124 0.000 0.628 493 A CB -0.482 18.460 19.000 -0.096 0.000 0.816 493 A HN 0.305 nan 8.150 nan 0.000 0.444 494 L N -2.578 118.551 121.223 -0.156 0.000 2.044 494 L HA -0.120 4.221 4.340 0.002 0.000 0.205 494 L C 2.356 179.069 176.870 -0.261 0.000 1.075 494 L CA 1.343 56.054 54.840 -0.214 0.000 0.747 494 L CB -0.390 41.519 42.059 -0.249 0.000 0.903 494 L HN 0.492 nan 8.230 nan 0.000 0.435 495 Y N -1.736 118.503 120.300 -0.102 0.000 2.524 495 Y HA 0.038 4.590 4.550 0.002 0.000 0.270 495 Y C 2.016 177.968 175.900 0.088 0.000 1.094 495 Y CA 0.482 58.603 58.100 0.035 0.000 1.276 495 Y CB 0.512 39.082 38.460 0.184 0.000 1.130 495 Y HN 0.074 nan 8.280 nan 0.000 0.536 496 S N -0.983 114.818 115.700 0.169 0.000 1.906 496 S HA -0.268 4.204 4.470 0.002 0.000 0.229 496 S C -0.109 174.674 174.600 0.304 0.000 1.003 496 S CA 1.800 60.101 58.200 0.168 0.000 1.559 496 S CB -1.133 62.129 63.200 0.103 0.000 2.023 496 S HN 0.541 nan 8.310 nan 0.000 0.555 497 D N -0.241 120.384 120.400 0.374 0.000 2.593 497 D HA 0.576 5.217 4.640 0.002 0.000 0.251 497 D C 0.527 176.954 176.300 0.211 0.000 1.140 497 D CA -0.542 53.621 54.000 0.272 0.000 0.855 497 D CB 1.264 42.155 40.800 0.151 0.000 1.267 497 D HN 0.056 nan 8.370 nan 0.000 0.532 498 I N 2.950 123.439 120.570 -0.135 0.000 2.335 498 I HA -0.196 3.975 4.170 0.002 0.000 0.251 498 I C 1.118 177.095 176.117 -0.234 0.000 1.129 498 I CA 1.551 62.480 61.300 -0.618 0.000 1.402 498 I CB 0.075 37.636 38.000 -0.731 0.000 1.069 498 I HN 0.369 nan 8.210 nan 0.000 0.424 499 D N -0.239 120.110 120.400 -0.086 0.000 2.378 499 D HA -0.051 4.590 4.640 0.002 0.000 0.222 499 D C 1.857 178.167 176.300 0.016 0.000 0.980 499 D CA 1.403 55.385 54.000 -0.030 0.000 0.907 499 D CB 0.024 40.817 40.800 -0.012 0.000 0.899 499 D HN 0.473 nan 8.370 nan 0.000 0.527 500 V N -2.352 117.596 119.914 0.058 0.000 3.427 500 V HA 0.288 4.409 4.120 0.002 0.000 0.305 500 V C 0.536 176.697 176.094 0.111 0.000 1.412 500 V CA -0.605 61.767 62.300 0.120 0.000 1.086 500 V CB -0.214 31.717 31.823 0.180 0.000 0.964 500 V HN -0.152 nan 8.190 nan 0.000 0.439 501 M N 2.417 121.983 119.600 -0.057 0.000 2.249 501 M HA 0.299 4.780 4.480 0.002 0.000 0.340 501 M C 0.142 176.354 176.300 -0.147 0.000 1.166 501 M CA 0.437 55.533 55.300 -0.340 0.000 1.115 501 M CB -0.147 32.273 32.600 -0.301 0.000 1.606 501 M HN 0.498 nan 8.290 nan 0.000 0.448 502 E N 3.172 123.270 120.200 -0.169 0.000 2.277 502 E HA 0.134 4.486 4.350 0.002 0.000 0.274 502 E C 0.529 177.167 176.600 0.064 0.000 1.022 502 E CA -0.547 55.893 56.400 0.067 0.000 0.853 502 E CB 1.216 31.026 29.700 0.183 0.000 1.086 502 E HN 0.780 nan 8.360 nan 0.000 0.397 503 L N 3.568 124.870 121.223 0.131 0.000 1.970 503 L HA -0.249 4.092 4.340 0.002 0.000 0.212 503 L C 2.113 179.036 176.870 0.087 0.000 1.071 503 L CA 1.932 56.826 54.840 0.089 0.000 0.751 503 L CB -0.645 41.429 42.059 0.025 0.000 0.889 503 L HN 0.721 nan 8.230 nan 0.000 0.432 504 Y N 0.822 121.139 120.300 0.027 0.000 2.114 504 Y HA -0.120 4.432 4.550 0.002 0.000 0.284 504 Y C -0.574 175.345 175.900 0.031 0.000 1.143 504 Y CA 1.846 59.957 58.100 0.018 0.000 1.135 504 Y CB -1.849 36.601 38.460 -0.015 0.000 0.980 504 Y HN 0.248 nan 8.280 nan 0.000 0.499 505 P HA -0.155 nan 4.420 nan 0.000 0.217 505 P C 1.420 178.615 177.300 -0.174 0.000 1.150 505 P CA 2.447 65.426 63.100 -0.201 0.000 0.832 505 P CB -0.330 31.387 31.700 0.030 0.000 0.787 506 A N -0.660 122.093 122.820 -0.111 0.000 1.969 506 A HA -0.136 4.186 4.320 0.002 0.000 0.218 506 A C 2.158 179.683 177.584 -0.098 0.000 1.169 506 A CA 1.233 53.214 52.037 -0.094 0.000 0.635 506 A CB -1.617 17.348 19.000 -0.058 0.000 0.810 506 A HN 0.122 nan 8.150 nan 0.000 0.445 507 L N -0.673 120.482 121.223 -0.113 0.000 2.131 507 L HA -0.128 4.213 4.340 0.002 0.000 0.210 507 L C 2.153 178.948 176.870 -0.125 0.000 1.092 507 L CA 0.857 55.635 54.840 -0.103 0.000 0.759 507 L CB -0.334 41.675 42.059 -0.084 0.000 0.903 507 L HN 0.377 nan 8.230 nan 0.000 0.435 508 L N -0.834 120.274 121.223 -0.193 0.000 2.446 508 L HA -0.006 4.335 4.340 0.002 0.000 0.219 508 L C 1.940 178.747 176.870 -0.106 0.000 1.116 508 L CA 0.269 55.016 54.840 -0.154 0.000 0.844 508 L CB -0.065 41.863 42.059 -0.218 0.000 0.970 508 L HN 0.222 nan 8.230 nan 0.000 0.457 509 V N -4.471 115.380 119.914 -0.105 0.000 3.578 509 V HA 0.166 4.287 4.120 0.002 0.000 0.290 509 V C 0.897 176.938 176.094 -0.088 0.000 1.376 509 V CA -0.349 61.902 62.300 -0.082 0.000 1.083 509 V CB -0.096 31.687 31.823 -0.066 0.000 0.911 509 V HN 0.233 nan 8.190 nan 0.000 0.433 510 E N 2.385 122.530 120.200 -0.091 0.000 2.413 510 E HA 0.044 4.396 4.350 0.002 0.000 0.263 510 E C 0.263 176.818 176.600 -0.074 0.000 1.015 510 E CA -0.300 56.042 56.400 -0.095 0.000 0.916 510 E CB 0.522 30.193 29.700 -0.049 0.000 0.947 510 E HN 0.485 nan 8.360 nan 0.000 0.440 511 K N 5.528 125.880 120.400 -0.079 0.000 2.437 511 K HA 0.046 4.368 4.320 0.002 0.000 0.277 511 K C -2.269 174.310 176.600 -0.035 0.000 1.073 511 K CA -1.158 55.097 56.287 -0.052 0.000 1.105 511 K CB 0.276 32.752 32.500 -0.039 0.000 0.881 511 K HN 0.247 nan 8.250 nan 0.000 0.475 512 P HA 0.119 nan 4.420 nan 0.000 0.272 512 P C -0.659 176.611 177.300 -0.050 0.000 1.230 512 P CA -0.432 62.635 63.100 -0.056 0.000 0.788 512 P CB 0.567 32.215 31.700 -0.087 0.000 0.949 513 R N 2.349 122.805 120.500 -0.073 0.000 2.861 513 R HA 0.136 4.477 4.340 0.002 0.000 0.268 513 R C -1.922 174.371 176.300 -0.013 0.000 1.027 513 R CA -1.046 55.012 56.100 -0.069 0.000 1.163 513 R CB -1.556 28.616 30.300 -0.212 0.000 1.060 513 R HN 0.396 nan 8.270 nan 0.000 0.483 514 P HA -0.066 nan 4.420 nan 0.000 0.257 514 P C -0.970 176.334 177.300 0.007 0.000 1.189 514 P CA 0.720 63.849 63.100 0.048 0.000 0.780 514 P CB 0.237 32.005 31.700 0.112 0.000 0.772 515 D N 0.342 120.721 120.400 -0.035 0.000 2.772 515 D HA -0.193 4.449 4.640 0.002 0.000 0.233 515 D C 0.090 176.319 176.300 -0.117 0.000 1.143 515 D CA 1.329 55.285 54.000 -0.073 0.000 0.700 515 D CB -0.977 39.786 40.800 -0.063 0.000 1.076 515 D HN 0.465 nan 8.370 nan 0.000 0.430 516 A N -0.193 122.549 122.820 -0.131 0.000 2.354 516 A HA 0.702 5.023 4.320 0.002 0.000 0.321 516 A C 1.081 178.491 177.584 -0.290 0.000 1.125 516 A CA -0.562 51.354 52.037 -0.201 0.000 0.799 516 A CB 1.447 20.366 19.000 -0.136 0.000 1.293 516 A HN 0.121 nan 8.150 nan 0.000 0.452 517 I N -0.659 119.623 120.570 -0.481 0.000 2.617 517 I HA 0.124 4.296 4.170 0.002 0.000 0.256 517 I C -0.556 175.190 176.117 -0.618 0.000 1.167 517 I CA 0.782 61.678 61.300 -0.673 0.000 1.469 517 I CB -0.085 37.282 38.000 -1.056 0.000 1.098 517 I HN 0.490 nan 8.210 nan 0.000 0.436 518 F N -0.236 119.547 119.950 -0.279 0.000 2.575 518 F HA 0.642 5.170 4.527 0.003 0.000 0.330 518 F C 0.814 176.501 175.800 -0.188 0.000 1.056 518 F CA -1.200 56.647 58.000 -0.256 0.000 0.964 518 F CB 0.539 39.375 39.000 -0.273 0.000 1.258 518 F HN -0.243 nan 8.300 nan 0.000 0.484 519 G N -0.469 108.378 108.800 0.077 0.000 2.531 519 G HA2 0.272 4.234 3.960 0.002 0.000 0.313 519 G HA3 0.272 4.234 3.960 0.002 0.000 0.313 519 G C 0.558 175.460 174.900 0.003 0.000 1.238 519 G CA -0.369 44.738 45.100 0.011 0.000 0.994 519 G HN 0.706 nan 8.290 nan 0.000 0.493 520 E N -0.827 119.376 120.200 0.005 0.000 2.070 520 E HA -0.198 4.154 4.350 0.002 0.000 0.197 520 E C 2.342 178.939 176.600 -0.004 0.000 1.004 520 E CA 1.997 58.396 56.400 -0.002 0.000 0.805 520 E CB -0.227 29.483 29.700 0.017 0.000 0.744 520 E HN 0.469 nan 8.360 nan 0.000 0.451 521 T N 0.970 115.530 114.554 0.011 0.000 2.759 521 T HA -0.217 4.135 4.350 0.002 0.000 0.269 521 T C 1.716 176.366 174.700 -0.083 0.000 1.042 521 T CA 1.630 63.718 62.100 -0.020 0.000 1.140 521 T CB -0.248 68.638 68.868 0.030 0.000 0.864 521 T HN 0.180 nan 8.240 nan 0.000 0.455 522 M N 1.154 120.687 119.600 -0.113 0.000 2.086 522 M HA -0.034 4.447 4.480 0.002 0.000 0.261 522 M C 2.131 178.309 176.300 -0.203 0.000 1.067 522 M CA 1.418 56.576 55.300 -0.237 0.000 1.116 522 M CB -0.588 31.717 32.600 -0.492 0.000 1.348 522 M HN 0.061 nan 8.290 nan 0.000 0.407 523 V N 0.309 120.157 119.914 -0.111 0.000 2.307 523 V HA -0.208 3.913 4.120 0.002 0.000 0.245 523 V C 2.347 178.453 176.094 0.020 0.000 1.045 523 V CA 1.816 64.115 62.300 -0.002 0.000 1.024 523 V CB -0.917 30.953 31.823 0.079 0.000 0.651 523 V HN 0.428 nan 8.190 nan 0.000 0.449 524 E N -0.296 119.902 120.200 -0.004 0.000 2.274 524 E HA -0.097 4.254 4.350 0.002 0.000 0.194 524 E C 1.977 178.508 176.600 -0.115 0.000 0.996 524 E CA 0.822 57.228 56.400 0.010 0.000 0.840 524 E CB -0.065 29.657 29.700 0.036 0.000 0.772 524 E HN 0.405 nan 8.360 nan 0.000 0.491 525 L N -0.384 120.670 121.223 -0.281 0.000 2.221 525 L HA 0.122 4.463 4.340 0.002 0.000 0.202 525 L C 2.319 179.039 176.870 -0.250 0.000 1.074 525 L CA 1.433 55.882 54.840 -0.651 0.000 0.795 525 L CB -0.895 40.806 42.059 -0.596 0.000 0.960 525 L HN 0.115 nan 8.230 nan 0.000 0.458 526 G N -0.843 107.960 108.800 0.005 0.000 2.418 526 G HA2 -0.219 3.743 3.960 0.002 0.000 0.217 526 G HA3 -0.219 3.743 3.960 0.002 0.000 0.217 526 G C 1.707 176.692 174.900 0.142 0.000 1.158 526 G CA 0.832 46.066 45.100 0.223 0.000 0.771 526 G HN 0.444 nan 8.290 nan 0.000 0.545 527 A N 1.702 124.575 122.820 0.089 0.000 1.883 527 A HA 0.033 4.355 4.320 0.002 0.000 0.217 527 A C 0.781 178.463 177.584 0.163 0.000 1.186 527 A CA 2.078 54.189 52.037 0.124 0.000 0.624 527 A CB -1.222 17.945 19.000 0.278 0.000 0.822 527 A HN 0.382 nan 8.150 nan 0.000 0.444 528 P HA -0.143 nan 4.420 nan 0.000 0.214 528 P C 1.089 178.357 177.300 -0.054 0.000 1.163 528 P CA 1.147 64.268 63.100 0.036 0.000 0.883 528 P CB -0.248 31.426 31.700 -0.045 0.000 0.788 529 F N -0.137 119.718 119.950 -0.157 0.000 2.120 529 F HA -0.173 4.355 4.527 0.002 0.000 0.300 529 F C 2.458 177.900 175.800 -0.597 0.000 1.095 529 F CA 1.492 59.171 58.000 -0.534 0.000 1.249 529 F CB -1.565 36.698 39.000 -1.229 0.000 0.995 529 F HN -0.096 nan 8.300 nan 0.000 0.480 530 S N -0.357 115.203 115.700 -0.233 0.000 2.345 530 S HA -0.117 4.354 4.470 0.002 0.000 0.219 530 S C 1.878 176.452 174.600 -0.043 0.000 1.031 530 S CA 0.999 59.141 58.200 -0.097 0.000 0.984 530 S CB -0.664 62.538 63.200 0.005 0.000 0.874 530 S HN 0.184 nan 8.310 nan 0.000 0.451 531 F N 2.065 122.077 119.950 0.104 0.000 2.216 531 F HA -0.016 4.513 4.527 0.002 0.000 0.300 531 F C 2.266 178.145 175.800 0.132 0.000 1.085 531 F CA 0.959 59.027 58.000 0.113 0.000 1.326 531 F CB -0.461 38.598 39.000 0.097 0.000 1.027 531 F HN 0.069 nan 8.300 nan 0.000 0.497 532 K N 0.566 121.131 120.400 0.274 0.000 2.057 532 K HA -0.028 4.293 4.320 0.002 0.000 0.206 532 K C 2.327 179.020 176.600 0.155 0.000 1.050 532 K CA 1.550 57.975 56.287 0.230 0.000 0.935 532 K CB -1.074 31.491 32.500 0.108 0.000 0.715 532 K HN 0.180 nan 8.250 nan 0.000 0.439 533 G N 0.347 109.173 108.800 0.043 0.000 2.422 533 G HA2 -0.135 3.827 3.960 0.002 0.000 0.218 533 G HA3 -0.135 3.827 3.960 0.002 0.000 0.218 533 G C 1.486 176.416 174.900 0.051 0.000 1.140 533 G CA 0.808 45.888 45.100 -0.034 0.000 0.775 533 G HN 0.267 nan 8.290 nan 0.000 0.545 534 L N -0.111 121.187 121.223 0.124 0.000 2.049 534 L HA 0.048 4.390 4.340 0.002 0.000 0.203 534 L C 2.954 179.955 176.870 0.219 0.000 1.074 534 L CA 0.702 55.635 54.840 0.155 0.000 0.749 534 L CB -0.265 41.890 42.059 0.159 0.000 0.907 534 L HN 0.100 nan 8.230 nan 0.000 0.439 535 M N -0.493 119.284 119.600 0.294 0.000 2.349 535 M HA 0.037 4.518 4.480 0.002 0.000 0.266 535 M C 2.074 178.707 176.300 0.556 0.000 1.076 535 M CA 1.056 56.551 55.300 0.324 0.000 1.126 535 M CB -1.467 31.163 32.600 0.050 0.000 1.392 535 M HN 0.262 nan 8.290 nan 0.000 0.440 536 G N 1.042 110.155 108.800 0.521 0.000 2.990 536 G HA2 -0.124 3.837 3.960 0.002 0.000 0.206 536 G HA3 -0.124 3.837 3.960 0.002 0.000 0.206 536 G C 0.612 175.701 174.900 0.316 0.000 1.169 536 G CA -0.110 45.218 45.100 0.380 0.000 0.819 536 G HN 0.396 nan 8.290 nan 0.000 0.517 537 N N 0.745 119.634 118.700 0.314 0.000 2.514 537 N HA 0.133 4.874 4.740 0.002 0.000 0.277 537 N C -1.223 174.384 175.510 0.161 0.000 1.126 537 N CA -1.691 51.476 53.050 0.194 0.000 0.978 537 N CB 2.260 40.852 38.487 0.174 0.000 1.106 537 N HN -0.146 nan 8.380 nan 0.000 0.461 538 P HA -0.181 nan 4.420 nan 0.000 0.217 538 P C 1.462 178.516 177.300 -0.409 0.000 1.148 538 P CA 1.326 64.249 63.100 -0.295 0.000 0.834 538 P CB -0.132 31.253 31.700 -0.526 0.000 0.783 539 I N -3.525 116.977 120.570 -0.114 0.000 2.756 539 I HA -0.101 4.071 4.170 0.002 0.000 0.262 539 I C 1.603 178.015 176.117 0.492 0.000 1.225 539 I CA 1.329 62.798 61.300 0.282 0.000 1.472 539 I CB -1.058 37.278 38.000 0.561 0.000 1.094 539 I HN -0.167 nan 8.210 nan 0.000 0.454 540 C N 1.319 120.789 119.300 0.284 0.000 2.594 540 C HA 0.184 4.646 4.460 0.002 0.000 0.265 540 C C 1.760 176.827 174.990 0.128 0.000 1.351 540 C CA 0.262 59.411 59.018 0.218 0.000 1.744 540 C CB -1.706 26.224 27.740 0.317 0.000 1.890 540 C HN 0.714 nan 8.230 nan 0.000 0.551 541 S N 1.711 117.293 115.700 -0.197 0.000 2.592 541 S HA 0.234 4.705 4.470 0.002 0.000 0.271 541 S C -1.703 172.861 174.600 -0.059 0.000 1.326 541 S CA -0.660 57.163 58.200 -0.627 0.000 1.024 541 S CB 0.871 63.645 63.200 -0.710 0.000 0.921 541 S HN 0.064 nan 8.310 nan 0.000 0.527 542 P HA -0.103 nan 4.420 nan 0.000 0.216 542 P C 1.382 178.623 177.300 -0.100 0.000 1.150 542 P CA 1.108 63.934 63.100 -0.457 0.000 0.837 542 P CB 0.036 31.284 31.700 -0.753 0.000 0.786 543 Q N -2.351 117.418 119.800 -0.051 0.000 2.436 543 Q HA -0.068 4.273 4.340 0.002 0.000 0.209 543 Q C 1.428 177.368 176.000 -0.100 0.000 0.965 543 Q CA 1.151 56.914 55.803 -0.066 0.000 0.910 543 Q CB -0.336 28.354 28.738 -0.081 0.000 0.980 543 Q HN 0.466 nan 8.270 nan 0.000 0.491 544 Y N -2.025 118.285 120.300 0.016 0.000 2.522 544 Y HA 0.034 4.585 4.550 0.002 0.000 0.277 544 Y C 1.029 177.046 175.900 0.196 0.000 1.104 544 Y CA -0.252 57.881 58.100 0.055 0.000 1.260 544 Y CB 0.349 38.885 38.460 0.127 0.000 1.151 544 Y HN 0.171 nan 8.280 nan 0.000 0.539 545 W N 4.122 125.604 121.300 0.303 0.000 1.606 545 W HA 0.275 4.936 4.660 0.002 0.000 0.455 545 W C -0.975 175.700 176.519 0.259 0.000 0.711 545 W CA 0.228 57.846 57.345 0.455 0.000 1.876 545 W CB -0.577 29.228 29.460 0.576 0.000 1.776 545 W HN -0.009 nan 8.180 nan 0.000 0.229 546 K N 3.204 123.474 120.400 -0.218 0.000 2.532 546 K HA 0.236 4.558 4.320 0.002 0.000 0.265 546 K C -1.765 174.308 176.600 -0.878 0.000 0.948 546 K CA -1.555 54.424 56.287 -0.514 0.000 0.842 546 K CB 2.309 34.647 32.500 -0.270 0.000 1.392 546 K HN -0.213 nan 8.250 nan 0.000 0.436 547 P HA -0.225 nan 4.420 nan 0.000 0.218 547 P C 1.053 178.200 177.300 -0.255 0.000 1.148 547 P CA 1.481 64.158 63.100 -0.706 0.000 0.822 547 P CB 0.097 31.573 31.700 -0.374 0.000 0.784 548 S N -0.921 114.636 115.700 -0.239 0.000 2.400 548 S HA -0.137 4.334 4.470 0.002 0.000 0.232 548 S C 1.912 176.397 174.600 -0.191 0.000 1.025 548 S CA 1.846 59.965 58.200 -0.136 0.000 0.993 548 S CB -2.055 61.069 63.200 -0.127 0.000 0.808 548 S HN 0.136 nan 8.310 nan 0.000 0.478 549 T N 1.437 115.742 114.554 -0.416 0.000 2.833 549 T HA 0.044 4.396 4.350 0.002 0.000 0.269 549 T C 0.494 174.835 174.700 -0.598 0.000 1.054 549 T CA 1.159 62.874 62.100 -0.641 0.000 1.135 549 T CB -0.434 67.810 68.868 -1.041 0.000 0.869 549 T HN 0.586 nan 8.240 nan 0.000 0.466 550 F N 0.129 120.111 119.950 0.054 0.000 2.708 550 F HA 0.517 5.046 4.527 0.003 0.000 0.300 550 F C 1.598 177.519 175.800 0.202 0.000 1.118 550 F CA -0.684 57.404 58.000 0.147 0.000 1.307 550 F CB -0.072 39.038 39.000 0.183 0.000 0.986 550 F HN 0.185 nan 8.300 nan 0.000 0.522 551 G N -0.131 108.869 108.800 0.332 0.000 2.141 551 G HA2 0.163 4.125 3.960 0.002 0.000 0.242 551 G HA3 0.163 4.125 3.960 0.002 0.000 0.242 551 G C 0.594 175.687 174.900 0.321 0.000 0.982 551 G CA -0.032 45.315 45.100 0.412 0.000 0.662 551 G HN 1.238 nan 8.290 nan 0.000 0.527 552 G N -1.273 107.649 108.800 0.205 0.000 2.434 552 G HA2 0.244 4.206 3.960 0.002 0.000 0.671 552 G HA3 0.244 4.206 3.960 0.002 0.000 0.671 552 G C 0.429 175.409 174.900 0.134 0.000 1.280 552 G CA 0.525 45.699 45.100 0.123 0.000 0.975 552 G HN 0.534 nan 8.290 nan 0.000 0.510 553 E N -0.591 119.670 120.200 0.102 0.000 2.118 553 E HA -0.134 4.218 4.350 0.002 0.000 0.195 553 E C 2.829 179.522 176.600 0.155 0.000 0.992 553 E CA 1.655 58.147 56.400 0.153 0.000 0.804 553 E CB -0.305 29.455 29.700 0.100 0.000 0.741 553 E HN 0.423 nan 8.360 nan 0.000 0.458 554 V N 1.076 121.047 119.914 0.095 0.000 2.255 554 V HA -0.226 3.896 4.120 0.002 0.000 0.247 554 V C 2.461 178.621 176.094 0.110 0.000 1.051 554 V CA 2.181 64.523 62.300 0.069 0.000 1.018 554 V CB -1.100 30.731 31.823 0.014 0.000 0.641 554 V HN 0.362 nan 8.190 nan 0.000 0.445 555 G N -1.338 107.562 108.800 0.167 0.000 2.402 555 G HA2 -0.270 3.691 3.960 0.002 0.000 0.216 555 G HA3 -0.270 3.691 3.960 0.002 0.000 0.216 555 G C 1.539 176.573 174.900 0.223 0.000 1.162 555 G CA 0.714 45.944 45.100 0.216 0.000 0.777 555 G HN 0.404 nan 8.290 nan 0.000 0.539 556 F N 1.846 121.824 119.950 0.047 0.000 2.126 556 F HA -0.063 4.465 4.527 0.002 0.000 0.299 556 F C 2.560 178.299 175.800 -0.103 0.000 1.096 556 F CA 1.629 59.566 58.000 -0.105 0.000 1.255 556 F CB -0.240 38.728 39.000 -0.053 0.000 0.997 556 F HN 0.234 nan 8.300 nan 0.000 0.479 557 K N 0.352 120.778 120.400 0.043 0.000 2.097 557 K HA -0.160 4.162 4.320 0.002 0.000 0.206 557 K C 2.162 178.745 176.600 -0.028 0.000 1.049 557 K CA 1.760 58.027 56.287 -0.034 0.000 0.933 557 K CB -0.363 32.147 32.500 0.016 0.000 0.717 557 K HN 0.341 nan 8.250 nan 0.000 0.442 558 I N 1.108 121.686 120.570 0.013 0.000 2.163 558 I HA -0.314 3.858 4.170 0.002 0.000 0.243 558 I C 2.244 178.380 176.117 0.031 0.000 1.085 558 I CA 1.334 62.652 61.300 0.031 0.000 1.347 558 I CB -0.238 37.800 38.000 0.062 0.000 1.044 558 I HN 0.197 nan 8.210 nan 0.000 0.408 559 I N 0.784 121.353 120.570 -0.001 0.000 2.099 559 I HA -0.324 3.848 4.170 0.002 0.000 0.239 559 I C 1.750 177.913 176.117 0.077 0.000 1.066 559 I CA 2.016 63.342 61.300 0.043 0.000 1.324 559 I CB -0.574 37.400 38.000 -0.043 0.000 1.037 559 I HN 0.264 nan 8.210 nan 0.000 0.401 560 N N -0.522 118.148 118.700 -0.048 0.000 2.550 560 N HA -0.092 4.649 4.740 0.002 0.000 0.186 560 N C 1.084 176.602 175.510 0.013 0.000 1.110 560 N CA 1.252 54.287 53.050 -0.025 0.000 0.912 560 N CB 0.104 38.461 38.487 -0.217 0.000 0.968 560 N HN 0.477 nan 8.380 nan 0.000 0.448 561 T N -3.602 110.961 114.554 0.014 0.000 3.043 561 T HA 0.449 4.801 4.350 0.002 0.000 0.272 561 T C 0.534 175.251 174.700 0.029 0.000 0.990 561 T CA -0.600 61.511 62.100 0.018 0.000 0.897 561 T CB 0.185 69.054 68.868 0.001 0.000 1.111 561 T HN 0.062 nan 8.240 nan 0.000 0.529 562 A N 2.019 124.872 122.820 0.055 0.000 2.498 562 A HA 0.618 4.940 4.320 0.002 0.000 0.239 562 A C 0.637 178.245 177.584 0.040 0.000 1.068 562 A CA -0.016 52.056 52.037 0.058 0.000 0.766 562 A CB -0.024 19.042 19.000 0.110 0.000 1.003 562 A HN 1.052 nan 8.150 nan 0.000 0.497 563 S N 0.931 116.631 115.700 -0.000 0.000 2.596 563 S HA 0.463 4.934 4.470 0.002 0.000 0.270 563 S C 0.383 174.924 174.600 -0.098 0.000 1.155 563 S CA -0.124 58.050 58.200 -0.043 0.000 0.827 563 S CB 0.624 63.785 63.200 -0.065 0.000 1.130 563 S HN 0.988 nan 8.310 nan 0.000 0.467 564 I N 1.181 121.638 120.570 -0.188 0.000 2.361 564 I HA -0.070 4.101 4.170 0.002 0.000 0.251 564 I C 2.484 178.440 176.117 -0.268 0.000 1.133 564 I CA 1.867 63.003 61.300 -0.274 0.000 1.413 564 I CB -0.480 37.145 38.000 -0.625 0.000 1.073 564 I HN 0.905 nan 8.210 nan 0.000 0.424 565 Q N 0.565 120.200 119.800 -0.274 0.000 2.050 565 Q HA -0.199 4.142 4.340 0.002 0.000 0.202 565 Q C 2.419 178.321 176.000 -0.163 0.000 0.980 565 Q CA 2.678 58.334 55.803 -0.245 0.000 0.840 565 Q CB -0.580 28.025 28.738 -0.222 0.000 0.898 565 Q HN 0.651 nan 8.270 nan 0.000 0.424 566 S N -0.557 115.069 115.700 -0.124 0.000 2.428 566 S HA -0.104 4.368 4.470 0.002 0.000 0.230 566 S C 1.873 176.406 174.600 -0.111 0.000 1.014 566 S CA 0.869 59.014 58.200 -0.092 0.000 0.957 566 S CB -0.511 62.654 63.200 -0.059 0.000 0.784 566 S HN 0.405 nan 8.310 nan 0.000 0.499 567 L N 0.797 121.935 121.223 -0.141 0.000 2.042 567 L HA 0.086 4.428 4.340 0.002 0.000 0.210 567 L C 2.073 178.820 176.870 -0.205 0.000 1.076 567 L CA 1.596 56.312 54.840 -0.206 0.000 0.749 567 L CB -0.570 41.325 42.059 -0.274 0.000 0.893 567 L HN 0.262 nan 8.230 nan 0.000 0.432 568 I N -1.542 118.924 120.570 -0.174 0.000 2.333 568 I HA -0.215 3.956 4.170 0.002 0.000 0.246 568 I C 2.663 178.704 176.117 -0.126 0.000 1.106 568 I CA 1.151 62.357 61.300 -0.156 0.000 1.411 568 I CB -0.789 37.123 38.000 -0.147 0.000 1.082 568 I HN 0.440 nan 8.210 nan 0.000 0.420 569 c N 1.074 119.607 118.600 -0.111 0.000 2.413 569 c HA -0.190 4.381 4.570 0.002 0.000 0.276 569 c C 2.734 176.777 174.090 -0.078 0.000 1.248 569 c CA 1.313 57.594 56.329 -0.081 0.000 1.742 569 c CB -1.257 41.214 42.510 -0.066 0.000 2.017 569 c HN 0.519 nan 8.230 nan 0.000 0.481 570 N N 1.035 119.682 118.700 -0.089 0.000 2.396 570 N HA -0.023 4.718 4.740 0.002 0.000 0.180 570 N C 0.980 176.432 175.510 -0.096 0.000 1.028 570 N CA 1.033 54.034 53.050 -0.082 0.000 0.893 570 N CB -0.399 38.042 38.487 -0.077 0.000 0.967 570 N HN 0.671 nan 8.380 nan 0.000 0.440 571 N N -0.522 118.105 118.700 -0.121 0.000 2.159 571 N HA 0.105 4.846 4.740 0.002 0.000 0.217 571 N C -0.727 174.695 175.510 -0.147 0.000 1.223 571 N CA 0.109 53.074 53.050 -0.140 0.000 0.896 571 N CB 2.013 40.397 38.487 -0.171 0.000 1.064 571 N HN -0.113 nan 8.380 nan 0.000 0.518 572 V N 1.592 121.431 119.914 -0.124 0.000 2.487 572 V HA 0.221 4.343 4.120 0.002 0.000 0.298 572 V C 0.353 176.398 176.094 -0.082 0.000 1.028 572 V CA -1.181 61.051 62.300 -0.113 0.000 0.860 572 V CB 2.598 34.358 31.823 -0.104 0.000 0.991 572 V HN -0.026 nan 8.190 nan 0.000 0.427 573 K N 2.949 123.302 120.400 -0.078 0.000 2.491 573 K HA 0.261 4.582 4.320 0.002 0.000 0.279 573 K C 1.225 177.805 176.600 -0.033 0.000 1.026 573 K CA 1.411 57.665 56.287 -0.055 0.000 1.070 573 K CB -0.002 32.467 32.500 -0.050 0.000 0.887 573 K HN 1.210 nan 8.250 nan 0.000 0.481 574 G N 2.954 111.738 108.800 -0.026 0.000 2.176 574 G HA2 -0.340 3.622 3.960 0.002 0.000 0.253 574 G HA3 -0.340 3.622 3.960 0.002 0.000 0.253 574 G C 0.397 175.291 174.900 -0.009 0.000 0.979 574 G CA -0.128 44.964 45.100 -0.013 0.000 0.641 574 G HN 1.213 nan 8.290 nan 0.000 0.530 575 c N 1.004 119.590 118.600 -0.022 0.000 3.200 575 c HA -0.078 4.494 4.570 0.002 0.000 0.263 575 c C -0.275 173.815 174.090 0.001 0.000 1.345 575 c CA -0.100 56.215 56.329 -0.022 0.000 2.274 575 c CB -1.717 40.781 42.510 -0.020 0.000 1.459 575 c HN 0.785 nan 8.230 nan 0.000 0.501 576 P HA 0.223 nan 4.420 nan 0.000 0.271 576 P C -0.045 177.288 177.300 0.054 0.000 1.218 576 P CA -0.090 63.035 63.100 0.042 0.000 0.780 576 P CB 0.382 32.101 31.700 0.031 0.000 0.901 577 F N 2.082 122.016 119.950 -0.027 0.000 2.572 577 F HA 0.288 4.815 4.527 0.001 0.000 0.370 577 F C 0.384 176.164 175.800 -0.033 0.000 1.103 577 F CA 1.183 59.163 58.000 -0.033 0.000 1.286 577 F CB 0.504 39.488 39.000 -0.027 0.000 1.105 577 F HN 0.312 nan 8.300 nan 0.000 0.583 578 T N 3.635 117.582 114.554 -1.012 0.000 2.843 578 T HA 0.701 5.052 4.350 0.002 0.000 0.302 578 T C -1.222 172.859 174.700 -1.033 0.000 1.232 578 T CA 0.060 61.675 62.100 -0.808 0.000 1.009 578 T CB 1.109 69.764 68.868 -0.355 0.000 1.254 578 T HN 1.101 nan 8.240 nan 0.000 0.504 579 S N 0.741 116.076 115.700 -0.608 0.000 2.656 579 S HA 0.511 4.983 4.470 0.002 0.000 0.265 579 S C -0.800 173.621 174.600 -0.298 0.000 1.132 579 S CA -0.651 57.237 58.200 -0.521 0.000 0.819 579 S CB 0.214 63.208 63.200 -0.343 0.000 1.119 579 S HN 0.397 nan 8.310 nan 0.000 0.476 580 F N 2.392 122.234 119.950 -0.181 0.000 2.797 580 F HA 0.342 4.871 4.527 0.002 0.000 0.302 580 F C 1.123 176.659 175.800 -0.440 0.000 1.130 580 F CA -0.411 57.447 58.000 -0.236 0.000 1.387 580 F CB -0.371 38.460 39.000 -0.281 0.000 1.107 580 F HN 0.720 nan 8.300 nan 0.000 0.577 581 N N 0.069 118.688 118.700 -0.134 0.000 2.292 581 N HA 0.419 5.160 4.740 0.002 0.000 0.303 581 N C -0.364 175.179 175.510 0.054 0.000 1.140 581 N CA -0.549 52.463 53.050 -0.065 0.000 0.788 581 N CB 2.248 40.727 38.487 -0.012 0.000 1.361 581 N HN -0.090 nan 8.380 nan 0.000 0.489 582 V N 0.000 119.953 119.914 0.065 0.000 2.409 582 V HA 0.000 4.121 4.120 0.002 0.000 0.244 582 V CA 0.000 62.352 62.300 0.086 0.000 1.235 582 V CB 0.000 31.864 31.823 0.069 0.000 1.184 582 V HN 0.000 nan 8.190 nan 0.000 0.556