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 1cx2_1_D DATA FIRST_RESID 33 DATA SEQUENCE ANPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNIPFLRSLI MKYVLTSRSY LIDSPPTYNV DATA SEQUENCE HYGYKSWEAF SNLSYYTRAL PPVADDcPTP MGVKGNKELP DSKEVLEKVL DATA SEQUENCE LRREFIPDPQ GSNMMFAFFA QHFTHQFFKT DHKRGPGFTR GLGHGVDLNH DATA SEQUENCE IYGETLDRQH KLRLFKDGKL KYQVIGGEVY PPTVKDTQVE MIYPPHIPEN DATA SEQUENCE LQFAVGQEVF GLVPGLMMYA TIWLREHQRV CDILKQEHPE WGDEQLFQTS DATA SEQUENCE KLILIGETIK IVIEDYVQHL SGYHFKLKFD PELLFNQQFQ YQNRIASEFN DATA SEQUENCE TLYHWHPLLP DTFNIEDQEY SFKQFLYNNS ILLEHGLTQF VESFTRQIAG DATA SEQUENCE RVAGGRNVPI AVQAVAKASI DQSREMKYQS LNEYRKRFSL KPYTSFEELT DATA SEQUENCE GEKEMAAELK ALYSDIDVME LYPALLVEKP RPDAIFGETM VELGAPFSLK DATA SEQUENCE GLMGNPICSP QYWKPSTFGG EVGFKIINTA SIQSLIcNNV KGcPFTSFNV DATA SEQUENCE Q VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 33 A HA 0.000 nan 4.320 nan 0.000 0.244 33 A C 0.000 177.633 177.584 0.082 0.000 1.274 33 A CA 0.000 52.086 52.037 0.081 0.000 0.836 33 A CB 0.000 19.072 19.000 0.121 0.000 0.831 34 N N 2.971 121.712 118.700 0.068 0.000 2.068 34 N HA -0.105 nan 4.740 nan 0.000 0.290 34 N C -0.024 175.508 175.510 0.037 0.000 1.372 34 N CA -1.197 51.884 53.050 0.051 0.000 0.863 34 N CB 0.105 38.606 38.487 0.023 0.000 1.174 34 N HN -0.195 8.447 8.380 0.067 -0.222 0.494 35 P HA -0.153 nan 4.420 nan 0.000 0.226 35 P C -0.270 176.989 177.300 -0.069 0.000 1.146 35 P CA 1.686 64.822 63.100 0.060 0.000 0.773 35 P CB -0.097 31.706 31.700 0.171 0.000 0.772 36 c N -2.705 115.856 118.600 -0.066 0.000 2.697 36 c HA 0.205 nan 4.570 nan 0.000 0.267 36 c C 2.406 176.413 174.090 -0.138 0.000 1.278 36 c CA 0.447 56.682 56.329 -0.156 0.000 1.708 36 c CB -1.757 40.712 42.510 -0.068 0.000 1.860 36 c HN 0.004 8.548 8.230 -0.006 -0.318 0.589 37 c N 1.949 120.496 118.600 -0.089 0.000 2.398 37 c HA -0.361 nan 4.570 nan 0.000 0.276 37 c C 0.974 175.012 174.090 -0.087 0.000 1.222 37 c CA 4.167 60.456 56.329 -0.066 0.000 1.746 37 c CB -1.006 41.484 42.510 -0.034 0.000 2.039 37 c HN 0.237 8.244 8.230 -0.063 0.185 0.470 38 S N -1.928 113.702 115.700 -0.117 0.000 2.595 38 S HA -0.190 nan 4.470 nan 0.000 0.235 38 S C -0.231 174.279 174.600 -0.151 0.000 0.974 38 S CA 0.785 58.911 58.200 -0.122 0.000 0.942 38 S CB -0.186 62.936 63.200 -0.129 0.000 0.766 38 S HN -0.084 8.147 8.310 -0.130 0.001 0.536 39 N N 0.090 118.687 118.700 -0.171 0.000 2.716 39 N HA -0.284 nan 4.740 nan 0.000 0.250 39 N C -1.856 173.543 175.510 -0.184 0.000 1.033 39 N CA 0.417 53.368 53.050 -0.165 0.000 0.727 39 N CB -1.329 37.084 38.487 -0.122 0.000 0.950 39 N HN -0.222 7.857 8.380 -0.167 0.201 0.541 40 P HA -0.168 nan 4.420 nan 0.000 0.215 40 P C -0.170 177.080 177.300 -0.084 0.000 1.163 40 P CA 0.879 63.822 63.100 -0.262 0.000 0.894 40 P CB 0.422 31.665 31.700 -0.762 0.000 0.791 41 c N -0.877 117.695 118.600 -0.047 0.000 2.648 41 c HA -0.027 nan 4.570 nan 0.000 0.406 41 c C 0.388 174.460 174.090 -0.030 0.000 1.406 41 c CA -0.584 55.765 56.329 0.033 0.000 1.610 41 c CB -1.566 40.989 42.510 0.075 0.000 2.451 41 c HN -0.205 7.952 8.230 -0.120 0.000 0.608 42 Q N 4.831 124.605 119.800 -0.043 0.000 2.199 42 Q HA 0.170 nan 4.340 nan 0.000 0.205 42 Q C 0.167 176.100 176.000 -0.111 0.000 1.001 42 Q CA -1.803 53.938 55.803 -0.104 0.000 1.019 42 Q CB 1.692 30.337 28.738 -0.154 0.000 1.132 42 Q HN 0.811 8.960 8.270 -0.017 0.110 0.530 43 N N -1.078 117.514 118.700 -0.179 0.000 2.681 43 N HA -0.426 nan 4.740 nan 0.000 0.250 43 N C -0.604 174.913 175.510 0.011 0.000 1.133 43 N CA 1.900 54.862 53.050 -0.147 0.000 0.732 43 N CB -0.902 37.389 38.487 -0.327 0.000 1.107 43 N HN 0.638 8.895 8.380 -0.206 0.000 0.559 44 R N -9.880 110.613 120.500 -0.012 0.000 3.004 44 R HA -0.260 nan 4.340 nan 0.000 0.465 44 R C -0.132 176.192 176.300 0.039 0.000 0.527 44 R CA 0.476 56.584 56.100 0.013 0.000 1.419 44 R CB -1.859 28.470 30.300 0.049 0.000 2.058 44 R HN 0.234 8.416 8.270 -0.050 0.058 0.353 45 G N -0.092 108.739 108.800 0.053 0.000 2.225 45 G HA2 -0.155 nan 3.960 nan 0.000 0.245 45 G HA3 -0.155 nan 3.960 nan 0.000 0.245 45 G C -0.546 174.395 174.900 0.069 0.000 1.249 45 G CA 0.014 45.159 45.100 0.074 0.000 0.919 45 G HN -0.447 7.804 8.290 0.044 0.066 0.486 46 E N 3.649 123.901 120.200 0.086 0.000 2.344 46 E HA -0.068 nan 4.350 nan 0.000 0.270 46 E C -0.253 176.413 176.600 0.111 0.000 1.021 46 E CA 0.670 57.130 56.400 0.099 0.000 0.887 46 E CB 1.389 31.166 29.700 0.128 0.000 0.997 46 E HN -0.383 8.031 8.360 0.089 0.000 0.429 47 c N 5.971 124.631 118.600 0.099 0.000 2.388 47 c HA 0.577 nan 4.570 nan 0.000 0.362 47 c C -1.080 173.099 174.090 0.148 0.000 1.266 47 c CA -1.119 55.294 56.329 0.141 0.000 2.028 47 c CB 0.259 42.794 42.510 0.042 0.000 2.440 47 c HN 0.430 8.700 8.230 0.066 0.000 0.547 48 M N 6.811 126.526 119.600 0.191 0.000 2.327 48 M HA 0.343 nan 4.480 nan 0.000 0.298 48 M C -1.303 175.090 176.300 0.154 0.000 1.065 48 M CA -2.594 52.796 55.300 0.150 0.000 0.916 48 M CB 4.510 37.177 32.600 0.112 0.000 1.630 48 M HN 0.806 9.248 8.290 0.252 0.000 0.442 49 S N 4.333 120.104 115.700 0.118 0.000 2.670 49 S HA 0.068 nan 4.470 nan 0.000 0.328 49 S C 0.720 175.348 174.600 0.047 0.000 1.179 49 S CA 0.441 58.697 58.200 0.092 0.000 1.194 49 S CB -0.915 62.315 63.200 0.050 0.000 1.359 49 S HN 0.612 8.987 8.310 0.108 0.000 0.555 50 T N -1.708 112.883 114.554 0.061 0.000 3.406 50 T HA 0.115 nan 4.350 nan 0.000 0.244 50 T C -0.212 174.501 174.700 0.021 0.000 0.949 50 T CA -0.703 61.411 62.100 0.024 0.000 0.926 50 T CB -1.115 67.760 68.868 0.012 0.000 1.089 50 T HN 0.223 8.450 8.240 0.100 0.073 0.604 51 G N 0.788 109.588 108.800 0.000 0.000 2.398 51 G HA2 -0.193 nan 3.960 nan 0.000 0.221 51 G HA3 -0.193 nan 3.960 nan 0.000 0.221 51 G C -0.904 174.114 174.900 0.197 0.000 1.112 51 G CA -0.174 44.949 45.100 0.039 0.000 0.823 51 G HN -0.304 7.881 8.290 -0.027 0.089 0.487 52 F N -1.453 118.531 119.950 0.055 0.000 2.551 52 F HA -0.557 nan 4.527 nan 0.000 0.704 52 F C -0.566 175.270 175.800 0.059 0.000 0.486 52 F CA 3.360 61.391 58.000 0.052 0.000 0.741 52 F CB -1.413 37.612 39.000 0.040 0.000 1.617 52 F HN 0.119 8.336 8.300 -0.139 0.000 0.268 53 D N -1.391 119.190 120.400 0.303 0.000 2.354 53 D HA -0.019 nan 4.640 nan 0.000 0.209 53 D C 0.170 176.573 176.300 0.172 0.000 1.015 53 D CA 0.596 54.711 54.000 0.190 0.000 0.867 53 D CB 0.583 41.469 40.800 0.143 0.000 0.933 53 D HN -0.125 8.379 8.370 0.351 0.077 0.520 54 Q N -1.957 117.942 119.800 0.165 0.000 2.333 54 Q HA 0.182 nan 4.340 nan 0.000 0.266 54 Q C -2.233 173.891 176.000 0.207 0.000 1.053 54 Q CA -0.786 55.103 55.803 0.143 0.000 0.890 54 Q CB 3.029 31.802 28.738 0.058 0.000 1.337 54 Q HN -0.644 7.614 8.270 0.167 0.112 0.474 55 Y N -6.466 113.855 120.300 0.034 0.000 2.677 55 Y HA 0.313 nan 4.550 nan 0.000 0.334 55 Y C -2.320 173.596 175.900 0.028 0.000 1.196 55 Y CA -1.392 56.725 58.100 0.029 0.000 1.059 55 Y CB 3.087 41.563 38.460 0.027 0.000 1.315 55 Y HN -0.158 8.050 8.280 -0.121 0.000 0.455 56 K N -0.222 120.160 120.400 -0.030 0.000 2.469 56 K HA 0.436 nan 4.320 nan 0.000 0.254 56 K C -1.906 174.765 176.600 0.118 0.000 0.939 56 K CA -1.741 54.490 56.287 -0.093 0.000 0.812 56 K CB 4.903 37.378 32.500 -0.042 0.000 1.301 56 K HN 0.294 8.659 8.250 0.191 0.000 0.433 57 c N 1.783 120.438 118.600 0.093 0.000 2.273 57 c HA 0.381 nan 4.570 nan 0.000 0.328 57 c C -0.071 174.079 174.090 0.099 0.000 1.275 57 c CA -0.817 55.600 56.329 0.148 0.000 1.704 57 c CB -0.214 42.399 42.510 0.171 0.000 2.326 57 c HN 0.722 8.957 8.230 0.008 0.000 0.517 58 D N 5.910 126.369 120.400 0.099 0.000 2.558 58 D HA 0.164 nan 4.640 nan 0.000 0.221 58 D C 0.202 176.555 176.300 0.088 0.000 1.143 58 D CA -0.814 53.235 54.000 0.082 0.000 1.010 58 D CB -0.896 39.950 40.800 0.077 0.000 1.068 58 D HN 0.552 8.862 8.370 0.110 0.126 0.511 59 c N 2.086 120.745 118.600 0.098 0.000 2.511 59 c HA -0.016 nan 4.570 nan 0.000 0.277 59 c C -0.071 174.084 174.090 0.108 0.000 1.451 59 c CA -0.549 55.852 56.329 0.120 0.000 1.735 59 c CB -2.200 40.404 42.510 0.156 0.000 1.704 59 c HN -0.255 7.989 8.230 0.094 0.043 0.571 60 T N -0.930 113.672 114.554 0.080 0.000 2.905 60 T HA -0.242 nan 4.350 nan 0.000 0.299 60 T C 0.516 175.254 174.700 0.063 0.000 1.024 60 T CA 0.466 62.603 62.100 0.061 0.000 1.151 60 T CB 0.000 68.895 68.868 0.044 0.000 0.987 60 T HN -0.597 7.591 8.240 0.074 0.096 0.535 61 R N 0.000 120.532 120.500 0.053 0.000 3.651 61 R HA -0.248 nan 4.340 nan 0.000 0.292 61 R C -0.730 175.611 176.300 0.069 0.000 1.161 61 R CA 1.065 57.194 56.100 0.049 0.000 0.787 61 R CB -1.027 29.297 30.300 0.041 0.000 1.249 61 R HN 0.471 8.768 8.270 0.045 0.000 0.476 62 T N -6.693 107.918 114.554 0.095 0.000 2.870 62 T HA 0.367 nan 4.350 nan 0.000 0.277 62 T C -0.042 174.716 174.700 0.096 0.000 1.000 62 T CA -1.595 60.591 62.100 0.144 0.000 0.982 62 T CB 2.763 71.767 68.868 0.227 0.000 1.249 62 T HN -0.500 7.773 8.240 0.097 0.025 0.589 63 G N -1.098 107.744 108.800 0.071 0.000 3.233 63 G HA2 0.363 nan 3.960 nan 0.000 0.234 63 G HA3 0.363 nan 3.960 nan 0.000 0.234 63 G C -2.091 172.507 174.900 -0.503 0.000 1.137 63 G CA -0.265 44.685 45.100 -0.250 0.000 0.763 63 G HN 0.520 8.975 8.290 0.275 0.000 0.549 64 F N -0.521 119.482 119.950 0.088 0.000 2.579 64 F HA 0.784 nan 4.527 nan 0.000 0.324 64 F C -2.192 173.700 175.800 0.153 0.000 1.058 64 F CA -1.959 56.071 58.000 0.050 0.000 0.944 64 F CB 3.103 42.076 39.000 -0.044 0.000 1.245 64 F HN -0.414 7.995 8.300 0.308 0.076 0.477 65 Y N -4.442 115.966 120.300 0.181 0.000 2.805 65 Y HA 0.286 nan 4.550 nan 0.000 0.323 65 Y C -1.590 174.364 175.900 0.090 0.000 1.279 65 Y CA -2.353 55.807 58.100 0.100 0.000 1.103 65 Y CB 1.532 40.020 38.460 0.047 0.000 1.324 65 Y HN 0.831 8.847 8.280 -0.263 0.106 0.498 66 G N -2.670 106.270 108.800 0.233 0.000 2.719 66 G HA2 -0.288 nan 3.960 nan 0.000 0.686 66 G HA3 -0.288 nan 3.960 nan 0.000 0.686 66 G C 0.255 175.197 174.900 0.071 0.000 1.201 66 G CA -0.544 44.619 45.100 0.105 0.000 0.768 66 G HN 0.178 8.665 8.290 0.329 0.000 0.629 67 E N 3.668 123.895 120.200 0.045 0.000 2.399 67 E HA -0.463 nan 4.350 nan 0.000 0.231 67 E C 0.115 176.755 176.600 0.067 0.000 1.124 67 E CA 3.330 59.743 56.400 0.022 0.000 0.941 67 E CB -0.103 29.594 29.700 -0.005 0.000 0.790 67 E HN 0.593 8.978 8.360 0.041 0.000 0.461 68 N N -5.301 113.442 118.700 0.071 0.000 2.187 68 N HA 0.185 nan 4.740 nan 0.000 0.212 68 N C -1.466 174.069 175.510 0.043 0.000 1.152 68 N CA -1.191 51.911 53.050 0.087 0.000 0.872 68 N CB 1.059 39.584 38.487 0.062 0.000 1.025 68 N HN -0.198 8.159 8.380 0.043 0.049 0.514 69 c N -1.615 117.018 118.600 0.056 0.000 3.547 69 c HA -0.357 nan 4.570 nan 0.000 0.299 69 c C 0.033 174.103 174.090 -0.032 0.000 1.148 69 c CA 0.892 57.271 56.329 0.083 0.000 2.364 69 c CB -3.375 39.192 42.510 0.094 0.000 1.453 69 c HN 0.782 8.944 8.230 0.071 0.110 0.549 70 T N -5.569 108.960 114.554 -0.043 0.000 3.168 70 T HA 0.111 nan 4.350 nan 0.000 0.261 70 T C 0.196 174.910 174.700 0.023 0.000 0.931 70 T CA 0.387 62.367 62.100 -0.201 0.000 0.949 70 T CB 2.144 70.917 68.868 -0.158 0.000 1.229 70 T HN -0.046 8.191 8.240 -0.005 0.000 0.504 71 T N 4.832 119.345 114.554 -0.068 0.000 2.794 71 T HA 0.466 nan 4.350 nan 0.000 0.296 71 T C -2.212 172.289 174.700 -0.332 0.000 0.949 71 T CA -2.665 59.289 62.100 -0.243 0.000 1.101 71 T CB -0.262 68.302 68.868 -0.507 0.000 0.905 71 T HN -0.323 7.827 8.240 -0.150 0.000 0.516 72 P HA 0.488 nan 4.420 nan 0.000 0.278 72 P C -0.807 176.443 177.300 -0.082 0.000 1.258 72 P CA -1.160 61.738 63.100 -0.336 0.000 0.811 72 P CB 1.355 32.858 31.700 -0.329 0.000 1.063 73 E N -0.230 119.974 120.200 0.007 0.000 2.319 73 E HA 0.113 nan 4.350 nan 0.000 0.268 73 E C 1.604 178.228 176.600 0.040 0.000 1.050 73 E CA -0.575 55.911 56.400 0.144 0.000 0.878 73 E CB 0.747 30.489 29.700 0.070 0.000 1.066 73 E HN -0.420 7.816 8.360 -0.206 0.000 0.406 74 F N 3.914 123.878 119.950 0.024 0.000 2.063 74 F HA -0.419 nan 4.527 nan 0.000 0.298 74 F C 2.067 177.849 175.800 -0.030 0.000 1.105 74 F CA 4.175 62.174 58.000 -0.002 0.000 1.215 74 F CB -0.332 38.671 39.000 0.004 0.000 0.972 74 F HN 0.636 9.043 8.300 0.178 0.000 0.483 75 L N -2.959 118.380 121.223 0.194 0.000 2.021 75 L HA -0.449 nan 4.340 nan 0.000 0.215 75 L C 1.430 178.318 176.870 0.030 0.000 1.074 75 L CA 3.544 58.431 54.840 0.079 0.000 0.760 75 L CB -0.865 41.210 42.059 0.027 0.000 0.889 75 L HN -0.013 8.329 8.230 0.186 0.000 0.433 76 T N 0.807 115.336 114.554 -0.042 0.000 2.580 76 T HA -0.447 nan 4.350 nan 0.000 0.265 76 T C 2.132 176.806 174.700 -0.042 0.000 1.063 76 T CA 4.366 66.382 62.100 -0.140 0.000 1.170 76 T CB -0.729 67.893 68.868 -0.411 0.000 0.863 76 T HN -0.460 7.667 8.240 -0.049 0.084 0.418 77 R N 1.028 121.523 120.500 -0.007 0.000 2.159 77 R HA -0.488 nan 4.340 nan 0.000 0.249 77 R C 2.204 178.567 176.300 0.105 0.000 1.136 77 R CA 3.425 59.563 56.100 0.065 0.000 0.951 77 R CB -0.565 29.790 30.300 0.092 0.000 0.876 77 R HN -0.542 7.704 8.270 -0.039 0.000 0.440 78 I N -1.177 119.475 120.570 0.136 0.000 2.163 78 I HA -0.468 nan 4.170 nan 0.000 0.243 78 I C 2.131 178.279 176.117 0.051 0.000 1.085 78 I CA 3.451 64.805 61.300 0.090 0.000 1.347 78 I CB -0.392 37.648 38.000 0.066 0.000 1.044 78 I HN -0.093 8.225 8.210 0.181 0.001 0.408 79 K N -1.142 119.280 120.400 0.036 0.000 1.969 79 K HA -0.296 nan 4.320 nan 0.000 0.216 79 K C 2.301 178.928 176.600 0.044 0.000 1.048 79 K CA 2.982 59.285 56.287 0.027 0.000 0.948 79 K CB 0.162 32.667 32.500 0.008 0.000 0.726 79 K HN -0.411 7.781 8.250 0.032 0.077 0.442 80 L N -1.305 119.952 121.223 0.055 0.000 1.997 80 L HA -0.389 nan 4.340 nan 0.000 0.227 80 L C 2.180 179.090 176.870 0.068 0.000 1.087 80 L CA 2.968 57.855 54.840 0.079 0.000 0.797 80 L CB -0.431 41.691 42.059 0.105 0.000 0.902 80 L HN 0.021 8.277 8.230 0.043 0.000 0.441 81 L N -4.267 116.995 121.223 0.065 0.000 2.821 81 L HA -0.264 nan 4.340 nan 0.000 0.254 81 L C 0.831 177.727 176.870 0.044 0.000 1.151 81 L CA 1.952 56.826 54.840 0.056 0.000 0.937 81 L CB -0.866 41.232 42.059 0.064 0.000 1.141 81 L HN 0.058 8.330 8.230 0.069 0.000 0.425 82 L N -2.166 119.083 121.223 0.042 0.000 3.695 82 L HA 0.148 nan 4.340 nan 0.000 0.349 82 L C -1.229 175.661 176.870 0.033 0.000 1.304 82 L CA 0.243 55.101 54.840 0.030 0.000 1.078 82 L CB 1.798 43.871 42.059 0.023 0.000 1.440 82 L HN 0.019 8.061 8.230 0.048 0.218 0.620 83 K N 0.833 121.262 120.400 0.048 0.000 2.235 83 K HA 0.463 nan 4.320 nan 0.000 0.266 83 K C -2.005 174.633 176.600 0.063 0.000 0.980 83 K CA -2.653 53.670 56.287 0.060 0.000 0.849 83 K CB 0.913 33.459 32.500 0.078 0.000 1.098 83 K HN -0.227 7.970 8.250 0.052 0.083 0.445 84 P HA 0.102 nan 4.420 nan 0.000 0.292 84 P C -0.903 176.454 177.300 0.097 0.000 1.287 84 P CA -0.423 62.719 63.100 0.070 0.000 0.800 84 P CB 0.691 32.426 31.700 0.059 0.000 0.945 85 T N 5.832 120.442 114.554 0.093 0.000 2.939 85 T HA -0.062 nan 4.350 nan 0.000 0.312 85 T C 0.561 175.344 174.700 0.139 0.000 1.064 85 T CA -0.442 61.721 62.100 0.106 0.000 1.136 85 T CB -0.760 68.162 68.868 0.091 0.000 1.035 85 T HN 0.051 8.337 8.240 0.077 0.000 0.538 86 P HA -0.194 nan 4.420 nan 0.000 0.221 86 P C 0.752 178.190 177.300 0.230 0.000 1.145 86 P CA 2.536 65.750 63.100 0.190 0.000 0.795 86 P CB -0.048 31.758 31.700 0.176 0.000 0.775 87 N N -1.816 117.001 118.700 0.194 0.000 2.220 87 N HA -0.153 nan 4.740 nan 0.000 0.182 87 N C 1.589 177.255 175.510 0.259 0.000 1.023 87 N CA 3.436 56.617 53.050 0.218 0.000 0.856 87 N CB -0.688 37.886 38.487 0.145 0.000 0.997 87 N HN 0.314 8.744 8.380 0.155 0.043 0.429 88 T N -1.403 113.262 114.554 0.184 0.000 2.977 88 T HA -0.106 nan 4.350 nan 0.000 0.271 88 T C 2.244 177.072 174.700 0.214 0.000 1.105 88 T CA 2.936 65.134 62.100 0.163 0.000 1.116 88 T CB -0.551 68.369 68.868 0.087 0.000 0.878 88 T HN -0.736 7.511 8.240 0.148 0.083 0.509 89 V N 2.929 122.972 119.914 0.214 0.000 2.379 89 V HA -0.214 nan 4.120 nan 0.000 0.243 89 V C 1.291 177.516 176.094 0.217 0.000 1.035 89 V CA 4.336 66.749 62.300 0.189 0.000 1.035 89 V CB -0.731 31.194 31.823 0.169 0.000 0.673 89 V HN 0.218 8.461 8.190 0.208 0.073 0.457 90 H N 1.190 120.378 119.070 0.196 0.000 2.352 90 H HA -0.397 nan 4.556 nan 0.000 0.299 90 H C 1.617 177.109 175.328 0.274 0.000 1.097 90 H CA 4.385 60.558 56.048 0.209 0.000 1.311 90 H CB 0.303 30.200 29.762 0.225 0.000 1.377 90 H HN -0.246 8.053 8.280 0.363 0.198 0.504 91 Y N -0.564 119.974 120.300 0.396 0.000 2.030 91 Y HA -0.493 nan 4.550 nan 0.000 0.274 91 Y C 1.865 178.100 175.900 0.558 0.000 1.153 91 Y CA 4.229 62.606 58.100 0.463 0.000 1.115 91 Y CB -0.216 38.414 38.460 0.283 0.000 0.969 91 Y HN 0.279 8.798 8.280 0.572 0.105 0.488 92 I N -2.494 118.511 120.570 0.724 0.000 2.113 92 I HA -0.630 nan 4.170 nan 0.000 0.242 92 I C 2.167 178.691 176.117 0.678 0.000 1.064 92 I CA 3.619 65.374 61.300 0.757 0.000 1.320 92 I CB -0.361 37.890 38.000 0.419 0.000 1.028 92 I HN -0.847 7.750 8.210 0.645 0.000 0.406 93 L N -1.492 119.871 121.223 0.233 0.000 2.187 93 L HA -0.360 nan 4.340 nan 0.000 0.213 93 L C 1.518 178.202 176.870 -0.310 0.000 1.100 93 L CA 2.960 57.602 54.840 -0.329 0.000 0.765 93 L CB -0.763 40.836 42.059 -0.766 0.000 0.904 93 L HN -0.497 7.848 8.230 0.192 -0.000 0.437 94 T N -3.374 111.163 114.554 -0.029 0.000 3.037 94 T HA 0.014 nan 4.350 nan 0.000 0.251 94 T C 0.658 175.360 174.700 0.004 0.000 1.079 94 T CA 1.409 63.472 62.100 -0.063 0.000 1.067 94 T CB 0.127 68.950 68.868 -0.076 0.000 0.948 94 T HN -0.289 7.867 8.240 0.089 0.137 0.496 95 H N 0.317 119.479 119.070 0.153 0.000 2.748 95 H HA 0.190 nan 4.556 nan 0.000 0.288 95 H C 0.672 176.189 175.328 0.315 0.000 1.539 95 H CA -0.618 55.403 56.048 -0.045 0.000 1.577 95 H CB 2.036 31.286 29.762 -0.854 0.000 1.721 95 H HN -0.295 8.119 8.280 0.411 0.113 0.869 96 F N -6.076 114.016 119.950 0.238 0.000 3.079 96 F HA -0.397 nan 4.527 nan 0.000 0.274 96 F C 0.629 176.384 175.800 -0.075 0.000 0.940 96 F CA 0.329 58.380 58.000 0.084 0.000 0.932 96 F CB -2.658 36.375 39.000 0.055 0.000 0.891 96 F HN 0.565 8.506 8.300 -0.598 0.000 0.722 97 K N 1.004 121.190 120.400 -0.357 0.000 2.066 97 K HA -0.497 nan 4.320 nan 0.000 0.221 97 K C 1.886 178.419 176.600 -0.112 0.000 1.056 97 K CA 3.504 59.383 56.287 -0.680 0.000 0.950 97 K CB -0.342 31.966 32.500 -0.320 0.000 0.726 97 K HN 0.112 8.154 8.250 -0.310 0.023 0.456 98 G N -3.572 105.210 108.800 -0.029 0.000 2.469 98 G HA2 -0.263 nan 3.960 nan 0.000 0.219 98 G HA3 -0.263 nan 3.960 nan 0.000 0.219 98 G C 1.647 176.545 174.900 -0.003 0.000 1.150 98 G CA 1.963 47.068 45.100 0.008 0.000 0.763 98 G HN 0.057 8.328 8.290 -0.031 0.000 0.561 99 V N 2.624 122.511 119.914 -0.045 0.000 2.233 99 V HA -0.385 nan 4.120 nan 0.000 0.247 99 V C 1.939 177.931 176.094 -0.169 0.000 1.050 99 V CA 3.772 65.962 62.300 -0.183 0.000 1.010 99 V CB -0.507 31.098 31.823 -0.363 0.000 0.637 99 V HN -0.373 7.815 8.190 -0.004 0.000 0.444 100 W N -2.643 118.659 121.300 0.003 0.000 2.387 100 W HA -0.431 nan 4.660 nan 0.000 0.272 100 W C 2.401 178.960 176.519 0.067 0.000 1.224 100 W CA 3.363 60.746 57.345 0.063 0.000 1.210 100 W CB -0.837 28.686 29.460 0.106 0.000 1.125 100 W HN -0.397 7.724 8.180 -0.099 0.000 0.572 101 N N 0.299 119.120 118.700 0.202 0.000 2.106 101 N HA -0.256 nan 4.740 nan 0.000 0.188 101 N C 2.145 177.712 175.510 0.095 0.000 1.029 101 N CA 3.457 56.590 53.050 0.138 0.000 0.848 101 N CB -0.296 38.241 38.487 0.083 0.000 1.007 101 N HN -0.105 8.196 8.380 0.143 0.164 0.423 102 I N 0.791 121.384 120.570 0.039 0.000 2.163 102 I HA -0.480 nan 4.170 nan 0.000 0.243 102 I C 1.452 177.567 176.117 -0.004 0.000 1.085 102 I CA 4.311 65.608 61.300 -0.004 0.000 1.347 102 I CB -0.121 37.848 38.000 -0.052 0.000 1.044 102 I HN -0.063 8.075 8.210 0.022 0.085 0.408 103 V N 0.730 120.655 119.914 0.019 0.000 2.233 103 V HA -0.509 nan 4.120 nan 0.000 0.247 103 V C 1.680 177.866 176.094 0.153 0.000 1.050 103 V CA 4.211 66.549 62.300 0.063 0.000 1.010 103 V CB -0.482 31.443 31.823 0.171 0.000 0.637 103 V HN 0.261 8.392 8.190 0.007 0.063 0.444 104 N N -2.864 115.984 118.700 0.247 0.000 2.799 104 N HA -0.274 nan 4.740 nan 0.000 0.205 104 N C 0.531 176.103 175.510 0.103 0.000 1.640 104 N CA 0.433 53.595 53.050 0.186 0.000 0.942 104 N CB -1.728 36.852 38.487 0.155 0.000 1.262 104 N HN -0.203 8.257 8.380 0.312 0.107 0.485 105 I N -0.239 120.302 120.570 -0.050 0.000 2.732 105 I HA -0.401 nan 4.170 nan 0.000 0.129 105 I C -1.368 174.665 176.117 -0.140 0.000 0.883 105 I CA 0.711 61.888 61.300 -0.207 0.000 2.781 105 I CB -1.062 36.602 38.000 -0.560 0.000 0.552 105 I HN -0.172 8.005 8.210 -0.054 0.000 0.352 106 P HA -0.194 nan 4.420 nan 0.000 0.215 106 P C 0.008 177.404 177.300 0.160 0.000 1.153 106 P CA 2.351 65.531 63.100 0.134 0.000 0.853 106 P CB -0.100 31.712 31.700 0.187 0.000 0.788 107 F N -7.592 112.403 119.950 0.075 0.000 2.772 107 F HA 0.036 nan 4.527 nan 0.000 0.301 107 F C -0.606 175.234 175.800 0.066 0.000 1.250 107 F CA 0.253 58.293 58.000 0.066 0.000 1.441 107 F CB -1.206 37.823 39.000 0.050 0.000 1.112 107 F HN -0.237 8.381 8.300 0.531 0.000 0.563 108 L N -1.702 119.429 121.223 -0.153 0.000 2.713 108 L HA 0.108 nan 4.340 nan 0.000 0.223 108 L C 1.301 178.183 176.870 0.020 0.000 1.040 108 L CA 0.592 55.348 54.840 -0.141 0.000 0.894 108 L CB 1.477 43.351 42.059 -0.308 0.000 1.361 108 L HN -0.112 7.829 8.230 -0.128 0.212 0.490 109 R N 1.179 121.756 120.500 0.129 0.000 2.094 109 R HA -0.495 nan 4.340 nan 0.000 0.239 109 R C 1.914 178.427 176.300 0.355 0.000 1.137 109 R CA 4.520 60.866 56.100 0.410 0.000 0.943 109 R CB 0.027 30.553 30.300 0.377 0.000 0.850 109 R HN 0.205 8.511 8.270 0.061 0.000 0.433 110 S N -0.322 115.515 115.700 0.228 0.000 2.365 110 S HA -0.340 nan 4.470 nan 0.000 0.225 110 S C 2.333 177.018 174.600 0.141 0.000 1.039 110 S CA 3.205 61.514 58.200 0.182 0.000 1.033 110 S CB -0.805 62.482 63.200 0.145 0.000 0.887 110 S HN -0.550 7.878 8.310 0.189 -0.005 0.447 111 L N 2.531 123.818 121.223 0.108 0.000 2.012 111 L HA -0.327 nan 4.340 nan 0.000 0.210 111 L C 2.353 179.267 176.870 0.072 0.000 1.073 111 L CA 2.796 57.687 54.840 0.085 0.000 0.748 111 L CB -0.310 41.780 42.059 0.053 0.000 0.891 111 L HN -0.274 7.947 8.230 0.107 0.073 0.431 112 I N -1.303 119.256 120.570 -0.018 0.000 2.113 112 I HA -0.519 nan 4.170 nan 0.000 0.238 112 I C 2.167 178.273 176.117 -0.018 0.000 1.070 112 I CA 3.052 64.248 61.300 -0.173 0.000 1.332 112 I CB -1.053 36.515 38.000 -0.720 0.000 1.044 112 I HN 0.068 8.198 8.210 -0.019 0.069 0.402 113 M N -0.072 119.622 119.600 0.156 0.000 2.073 113 M HA -0.482 nan 4.480 nan 0.000 0.258 113 M C 1.718 178.119 176.300 0.169 0.000 1.070 113 M CA 3.234 58.722 55.300 0.313 0.000 1.103 113 M CB -0.528 32.284 32.600 0.353 0.000 1.321 113 M HN 0.329 8.640 8.290 0.219 0.110 0.405 114 K N -1.400 119.074 120.400 0.124 0.000 2.074 114 K HA -0.462 nan 4.320 nan 0.000 0.209 114 K C 1.938 178.559 176.600 0.035 0.000 1.048 114 K CA 3.648 59.973 56.287 0.063 0.000 0.926 114 K CB -0.158 32.385 32.500 0.072 0.000 0.713 114 K HN 0.070 8.289 8.250 0.139 0.114 0.444 115 Y N -0.853 119.471 120.300 0.039 0.000 2.133 115 Y HA -0.424 nan 4.550 nan 0.000 0.287 115 Y C 1.898 177.840 175.900 0.071 0.000 1.134 115 Y CA 3.822 61.947 58.100 0.042 0.000 1.133 115 Y CB 0.257 38.724 38.460 0.012 0.000 0.987 115 Y HN -0.499 7.813 8.280 0.205 0.091 0.502 116 V N -2.108 117.884 119.914 0.130 0.000 2.324 116 V HA -0.524 nan 4.120 nan 0.000 0.250 116 V C 1.793 177.901 176.094 0.024 0.000 1.060 116 V CA 3.330 65.713 62.300 0.139 0.000 1.042 116 V CB -1.324 30.641 31.823 0.237 0.000 0.650 116 V HN -0.038 8.283 8.190 0.219 0.000 0.450 117 L N -1.139 120.090 121.223 0.010 0.000 1.943 117 L HA -0.395 nan 4.340 nan 0.000 0.215 117 L C 1.961 178.794 176.870 -0.063 0.000 1.074 117 L CA 2.831 57.661 54.840 -0.016 0.000 0.759 117 L CB -1.477 40.554 42.059 -0.046 0.000 0.888 117 L HN -0.046 8.205 8.230 0.042 0.004 0.433 118 T N -3.444 111.031 114.554 -0.133 0.000 2.536 118 T HA -0.461 nan 4.350 nan 0.000 0.263 118 T C 2.934 177.581 174.700 -0.090 0.000 1.115 118 T CA 3.686 65.714 62.100 -0.119 0.000 1.180 118 T CB -0.528 68.245 68.868 -0.159 0.000 0.864 118 T HN 0.024 8.179 8.240 -0.142 0.000 0.419 119 S N 3.519 119.054 115.700 -0.274 0.000 2.353 119 S HA -0.359 nan 4.470 nan 0.000 0.222 119 S C 2.217 176.908 174.600 0.152 0.000 1.035 119 S CA 3.139 61.305 58.200 -0.056 0.000 1.025 119 S CB -0.579 62.499 63.200 -0.202 0.000 0.902 119 S HN -0.377 7.567 8.310 -0.610 0.000 0.440 120 R N 2.773 123.318 120.500 0.076 0.000 2.140 120 R HA -0.344 nan 4.340 nan 0.000 0.250 120 R C 2.450 178.799 176.300 0.081 0.000 1.150 120 R CA 3.016 59.186 56.100 0.117 0.000 0.966 120 R CB -0.066 30.313 30.300 0.131 0.000 0.869 120 R HN -0.530 7.732 8.270 -0.013 0.000 0.445 121 S N -1.974 113.782 115.700 0.093 0.000 2.597 121 S HA 0.072 nan 4.470 nan 0.000 0.224 121 S C 0.901 175.536 174.600 0.059 0.000 0.955 121 S CA 0.903 59.154 58.200 0.085 0.000 0.933 121 S CB -0.414 62.870 63.200 0.140 0.000 0.788 121 S HN -0.585 7.769 8.310 0.098 0.015 0.488 122 Y N 0.591 120.932 120.300 0.068 0.000 2.483 122 Y HA -0.173 nan 4.550 nan 0.000 0.291 122 Y C -0.182 175.736 175.900 0.030 0.000 1.143 122 Y CA 1.515 59.641 58.100 0.043 0.000 1.289 122 Y CB -0.530 37.951 38.460 0.035 0.000 0.983 122 Y HN -0.306 7.927 8.280 0.186 0.158 0.556 123 L N -2.148 118.676 121.223 -0.664 0.000 2.675 123 L HA -0.032 nan 4.340 nan 0.000 0.238 123 L C -0.590 176.171 176.870 -0.182 0.000 1.155 123 L CA 0.274 54.763 54.840 -0.586 0.000 0.881 123 L CB -1.615 40.071 42.059 -0.622 0.000 1.008 123 L HN -0.329 7.471 8.230 -0.631 0.051 0.443 124 I N -0.588 119.955 120.570 -0.045 0.000 2.433 124 I HA 0.021 nan 4.170 nan 0.000 0.292 124 I C -0.958 175.147 176.117 -0.021 0.000 1.001 124 I CA -0.815 60.491 61.300 0.011 0.000 1.119 124 I CB 2.101 40.112 38.000 0.017 0.000 1.289 124 I HN -0.743 7.361 8.210 -0.042 0.081 0.438 125 D N 8.996 129.385 120.400 -0.019 0.000 2.508 125 D HA 0.092 nan 4.640 nan 0.000 0.224 125 D C -1.678 174.590 176.300 -0.054 0.000 1.171 125 D CA 0.093 54.083 54.000 -0.018 0.000 1.006 125 D CB -0.697 40.116 40.800 0.022 0.000 1.073 125 D HN 0.403 8.770 8.370 -0.006 0.000 0.513 126 S N 1.876 117.533 115.700 -0.071 0.000 2.659 126 S HA 0.242 nan 4.470 nan 0.000 0.312 126 S C -2.321 172.232 174.600 -0.078 0.000 1.114 126 S CA -3.506 54.636 58.200 -0.098 0.000 1.063 126 S CB 1.386 64.493 63.200 -0.154 0.000 0.996 126 S HN -0.698 7.574 8.310 -0.062 0.000 0.478 127 P HA 0.095 nan 4.420 nan 0.000 0.262 127 P C -2.250 175.055 177.300 0.008 0.000 1.182 127 P CA -0.655 62.464 63.100 0.033 0.000 0.761 127 P CB -0.101 31.667 31.700 0.112 0.000 0.795 128 P HA -0.062 nan 4.420 nan 0.000 0.264 128 P C -1.316 175.947 177.300 -0.062 0.000 1.183 128 P CA 0.444 63.496 63.100 -0.080 0.000 0.763 128 P CB 1.103 32.695 31.700 -0.181 0.000 0.807 129 T N -2.582 111.917 114.554 -0.093 0.000 2.887 129 T HA 0.434 nan 4.350 nan 0.000 0.288 129 T C -1.272 173.330 174.700 -0.164 0.000 1.021 129 T CA -1.480 60.448 62.100 -0.286 0.000 1.000 129 T CB 2.562 71.132 68.868 -0.495 0.000 1.034 129 T HN -0.070 8.149 8.240 -0.036 0.000 0.467 130 Y N 0.767 121.062 120.300 -0.008 0.000 2.505 130 Y HA -0.550 nan 4.550 nan 0.000 0.021 130 Y C -1.493 174.352 175.900 -0.092 0.000 1.700 130 Y CA 1.157 59.243 58.100 -0.023 0.000 1.420 130 Y CB -0.411 38.029 38.460 -0.034 0.000 2.065 130 Y HN 0.302 8.306 8.280 -0.460 0.000 0.254 131 N N -5.333 113.389 118.700 0.036 0.000 3.373 131 N HA 0.198 nan 4.740 nan 0.000 0.275 131 N C 0.439 175.786 175.510 -0.273 0.000 1.489 131 N CA -0.493 52.441 53.050 -0.193 0.000 0.872 131 N CB 1.392 39.576 38.487 -0.505 0.000 1.555 131 N HN -0.403 8.048 8.380 0.119 0.000 0.500 132 V N -1.760 117.897 119.914 -0.428 0.000 2.370 132 V HA -0.367 nan 4.120 nan 0.000 0.252 132 V C 0.429 176.254 176.094 -0.449 0.000 1.068 132 V CA 3.757 65.799 62.300 -0.430 0.000 1.061 132 V CB -0.578 30.932 31.823 -0.521 0.000 0.656 132 V HN 0.657 8.575 8.190 -0.454 0.000 0.455 133 H N -6.065 112.787 119.070 -0.363 0.000 2.575 133 H HA 0.031 nan 4.556 nan 0.000 0.267 133 H C -0.347 174.482 175.328 -0.832 0.000 0.966 133 H CA -0.038 55.718 56.048 -0.485 0.000 1.165 133 H CB 0.981 30.482 29.762 -0.434 0.000 1.433 133 H HN -0.475 7.557 8.280 -0.773 -0.216 0.544 134 Y N -0.391 119.832 120.300 -0.128 0.000 2.376 134 Y HA 0.058 nan 4.550 nan 0.000 0.326 134 Y C -0.766 175.112 175.900 -0.036 0.000 0.970 134 Y CA -1.173 56.851 58.100 -0.126 0.000 1.248 134 Y CB 0.795 39.273 38.460 0.029 0.000 1.117 134 Y HN -0.583 7.620 8.280 -0.168 -0.024 0.476 135 G N 2.918 111.609 108.800 -0.182 0.000 2.838 135 G HA2 -0.156 nan 3.960 nan 0.000 0.210 135 G HA3 -0.156 nan 3.960 nan 0.000 0.210 135 G C -1.770 173.311 174.900 0.301 0.000 1.153 135 G CA -0.240 44.856 45.100 -0.007 0.000 0.778 135 G HN 0.348 8.291 8.290 -0.579 0.000 0.539 136 Y N -5.314 115.192 120.300 0.343 0.000 2.509 136 Y HA 0.286 nan 4.550 nan 0.000 0.341 136 Y C 0.148 176.093 175.900 0.075 0.000 1.038 136 Y CA -4.825 53.421 58.100 0.244 0.000 1.089 136 Y CB 0.748 39.309 38.460 0.168 0.000 1.241 136 Y HN -1.009 7.090 8.280 -0.213 0.054 0.468 137 K N 0.845 121.310 120.400 0.109 0.000 2.049 137 K HA -0.482 nan 4.320 nan 0.000 0.219 137 K C 0.696 177.257 176.600 -0.065 0.000 1.056 137 K CA 1.865 58.063 56.287 -0.150 0.000 0.946 137 K CB -0.703 31.719 32.500 -0.130 0.000 0.723 137 K HN 0.566 8.906 8.250 0.151 0.000 0.453 138 S N -3.099 112.601 115.700 0.000 0.000 3.533 138 S HA -0.258 nan 4.470 nan 0.000 0.857 138 S C 0.495 175.041 174.600 -0.088 0.000 1.229 138 S CA -0.102 58.059 58.200 -0.064 0.000 0.814 138 S CB 0.576 63.723 63.200 -0.088 0.000 0.573 138 S HN -0.253 8.048 8.310 -0.016 0.000 0.283 139 W N 6.700 127.917 121.300 -0.139 0.000 2.584 139 W HA -0.130 nan 4.660 nan 0.000 0.264 139 W C 0.452 176.944 176.519 -0.045 0.000 1.264 139 W CA 2.049 59.364 57.345 -0.050 0.000 1.306 139 W CB 0.102 29.534 29.460 -0.047 0.000 1.110 139 W HN 0.574 8.832 8.180 0.130 0.000 0.606 140 E N 1.123 121.247 120.200 -0.127 0.000 2.152 140 E HA -0.312 nan 4.350 nan 0.000 0.192 140 E C 1.954 178.401 176.600 -0.256 0.000 0.983 140 E CA 2.645 58.948 56.400 -0.162 0.000 0.818 140 E CB -0.735 28.844 29.700 -0.202 0.000 0.758 140 E HN -0.279 7.952 8.360 -0.165 0.030 0.467 141 A N -1.323 121.203 122.820 -0.491 0.000 2.015 141 A HA -0.162 nan 4.320 nan 0.000 0.219 141 A C 1.708 179.156 177.584 -0.227 0.000 1.163 141 A CA 2.663 54.519 52.037 -0.303 0.000 0.646 141 A CB -0.661 18.191 19.000 -0.247 0.000 0.806 141 A HN -0.095 7.664 8.150 -0.618 0.021 0.448 142 F N -1.319 118.355 119.950 -0.460 0.000 2.317 142 F HA -0.125 nan 4.527 nan 0.000 0.293 142 F C 0.846 176.299 175.800 -0.579 0.000 1.085 142 F CA 1.965 59.615 58.000 -0.583 0.000 1.390 142 F CB 1.370 39.838 39.000 -0.886 0.000 1.077 142 F HN -0.665 7.328 8.300 -0.273 0.143 0.517 143 S N -0.203 115.134 115.700 -0.604 0.000 2.341 143 S HA -0.320 nan 4.470 nan 0.000 0.216 143 S C 0.878 175.337 174.600 -0.236 0.000 1.034 143 S CA 1.967 59.936 58.200 -0.385 0.000 0.964 143 S CB -0.029 63.155 63.200 -0.027 0.000 0.882 143 S HN 0.258 8.164 8.310 -0.497 0.106 0.469 144 N N 3.503 122.150 118.700 -0.089 0.000 2.381 144 N HA -0.182 nan 4.740 nan 0.000 0.288 144 N C 0.707 176.181 175.510 -0.061 0.000 1.346 144 N CA 0.685 53.720 53.050 -0.025 0.000 0.970 144 N CB -0.634 37.902 38.487 0.081 0.000 1.351 144 N HN -0.573 7.775 8.380 -0.052 0.000 0.488 145 L N 4.365 125.518 121.223 -0.117 0.000 2.610 145 L HA -0.121 nan 4.340 nan 0.000 0.232 145 L C 0.943 177.833 176.870 0.035 0.000 1.149 145 L CA 1.241 56.009 54.840 -0.120 0.000 0.872 145 L CB -0.583 41.384 42.059 -0.153 0.000 0.992 145 L HN 0.072 8.234 8.230 -0.114 0.000 0.447 146 S N 0.093 115.779 115.700 -0.024 0.000 2.522 146 S HA -0.113 nan 4.470 nan 0.000 0.227 146 S C -0.025 174.597 174.600 0.038 0.000 0.986 146 S CA 2.669 60.863 58.200 -0.009 0.000 0.929 146 S CB 0.138 63.317 63.200 -0.035 0.000 0.769 146 S HN 0.029 8.529 8.310 -0.075 -0.235 0.529 147 Y N 0.680 120.999 120.300 0.031 0.000 2.418 147 Y HA 0.197 nan 4.550 nan 0.000 0.327 147 Y C -1.076 174.783 175.900 -0.069 0.000 1.309 147 Y CA 0.787 58.819 58.100 -0.113 0.000 1.423 147 Y CB 1.262 39.659 38.460 -0.105 0.000 1.423 147 Y HN -0.938 7.348 8.280 0.110 0.060 0.532 148 Y N -4.337 116.064 120.300 0.169 0.000 2.352 148 Y HA 0.176 nan 4.550 nan 0.000 0.339 148 Y C 0.219 176.152 175.900 0.054 0.000 0.992 148 Y CA -0.469 57.703 58.100 0.120 0.000 1.100 148 Y CB 2.283 40.787 38.460 0.072 0.000 1.192 148 Y HN -0.198 8.243 8.280 0.269 0.000 0.458 149 T N 4.877 119.558 114.554 0.211 0.000 2.667 149 T HA 0.085 nan 4.350 nan 0.000 0.305 149 T C -1.684 173.051 174.700 0.058 0.000 1.022 149 T CA 0.534 62.671 62.100 0.062 0.000 0.995 149 T CB 1.104 69.956 68.868 -0.026 0.000 1.026 149 T HN 0.327 8.639 8.240 0.273 0.092 0.527 150 R N 1.978 122.508 120.500 0.049 0.000 2.512 150 R HA 0.202 nan 4.340 nan 0.000 0.291 150 R C -0.790 175.566 176.300 0.093 0.000 1.097 150 R CA -0.654 55.470 56.100 0.041 0.000 0.940 150 R CB 2.002 32.285 30.300 -0.029 0.000 1.198 150 R HN -0.080 8.233 8.270 0.073 0.000 0.429 151 A N 5.934 128.872 122.820 0.197 0.000 1.948 151 A HA -0.110 nan 4.320 nan 0.000 0.220 151 A C -0.455 177.161 177.584 0.053 0.000 1.177 151 A CA 2.233 54.442 52.037 0.287 0.000 0.636 151 A CB 0.168 19.628 19.000 0.766 0.000 0.815 151 A HN 0.487 8.840 8.150 0.253 -0.052 0.449 152 L N -3.455 117.736 121.223 -0.054 0.000 2.386 152 L HA 0.416 nan 4.340 nan 0.000 0.271 152 L C -2.270 174.391 176.870 -0.350 0.000 0.993 152 L CA -3.688 50.962 54.840 -0.318 0.000 0.819 152 L CB 2.547 44.254 42.059 -0.588 0.000 1.294 152 L HN -0.711 7.770 8.230 0.058 -0.216 0.414 153 P HA 0.128 nan 4.420 nan 0.000 0.269 153 P C -1.781 175.356 177.300 -0.270 0.000 1.209 153 P CA -1.575 61.212 63.100 -0.523 0.000 0.776 153 P CB -0.859 30.420 31.700 -0.700 0.000 0.876 154 P HA -0.009 nan 4.420 nan 0.000 0.272 154 P C -1.082 176.163 177.300 -0.092 0.000 1.254 154 P CA -0.509 62.526 63.100 -0.108 0.000 0.795 154 P CB 0.736 32.379 31.700 -0.095 0.000 1.022 155 V N -0.593 119.297 119.914 -0.039 0.000 2.465 155 V HA 0.016 nan 4.120 nan 0.000 0.279 155 V C 0.092 176.165 176.094 -0.034 0.000 1.045 155 V CA -0.790 61.492 62.300 -0.031 0.000 0.938 155 V CB 0.047 31.874 31.823 0.008 0.000 0.986 155 V HN -0.307 7.879 8.190 -0.007 0.000 0.467 156 A N 7.285 130.079 122.820 -0.044 0.000 2.566 156 A HA -0.019 nan 4.320 nan 0.000 0.245 156 A C 0.227 177.801 177.584 -0.016 0.000 1.056 156 A CA -0.143 51.870 52.037 -0.040 0.000 0.757 156 A CB 0.526 19.506 19.000 -0.033 0.000 0.979 156 A HN 0.360 8.480 8.150 -0.050 0.000 0.508 157 D N 2.477 122.868 120.400 -0.015 0.000 2.403 157 D HA -0.233 nan 4.640 nan 0.000 0.227 157 D C -0.201 176.106 176.300 0.011 0.000 0.995 157 D CA 2.710 56.712 54.000 0.003 0.000 0.928 157 D CB -0.476 40.327 40.800 0.005 0.000 0.887 157 D HN 0.580 8.931 8.370 -0.031 0.000 0.529 158 D N -6.028 114.379 120.400 0.011 0.000 2.440 158 D HA 0.025 nan 4.640 nan 0.000 0.216 158 D C -0.040 176.273 176.300 0.022 0.000 1.150 158 D CA -0.874 53.139 54.000 0.022 0.000 0.832 158 D CB -0.369 40.451 40.800 0.033 0.000 0.992 158 D HN -0.344 7.929 8.370 0.004 0.100 0.502 159 c N 2.345 120.953 118.600 0.014 0.000 2.639 159 c HA 0.160 nan 4.570 nan 0.000 0.360 159 c C 0.310 174.409 174.090 0.016 0.000 1.351 159 c CA -0.807 55.529 56.329 0.012 0.000 2.408 159 c CB 0.534 43.047 42.510 0.004 0.000 2.517 159 c HN -0.051 8.125 8.230 0.010 0.061 0.696 160 P HA -0.012 nan 4.420 nan 0.000 0.219 160 P C -0.796 176.514 177.300 0.017 0.000 1.154 160 P CA 1.160 64.270 63.100 0.017 0.000 0.826 160 P CB 0.852 32.561 31.700 0.015 0.000 0.795 161 T N -4.274 110.291 114.554 0.018 0.000 2.907 161 T HA 0.595 nan 4.350 nan 0.000 0.292 161 T C -1.104 173.612 174.700 0.027 0.000 1.043 161 T CA -2.554 59.560 62.100 0.023 0.000 1.003 161 T CB 2.036 70.920 68.868 0.026 0.000 1.084 161 T HN -0.196 7.958 8.240 0.016 0.096 0.483 162 P HA -0.106 nan 4.420 nan 0.000 0.223 162 P C 0.039 177.373 177.300 0.056 0.000 1.144 162 P CA 2.464 65.589 63.100 0.042 0.000 0.783 162 P CB 0.238 31.964 31.700 0.043 0.000 0.771 163 M N -4.034 115.601 119.600 0.057 0.000 2.475 163 M HA 0.094 nan 4.480 nan 0.000 0.261 163 M C 0.289 176.611 176.300 0.037 0.000 1.177 163 M CA -2.034 53.306 55.300 0.065 0.000 0.979 163 M CB -0.866 31.784 32.600 0.084 0.000 1.482 163 M HN -0.384 7.885 8.290 0.050 0.052 0.484 164 G N -1.193 107.621 108.800 0.023 0.000 3.355 164 G HA2 -0.291 nan 3.960 nan 0.000 0.247 164 G HA3 -0.291 nan 3.960 nan 0.000 0.247 164 G C -0.613 174.289 174.900 0.003 0.000 1.818 164 G CA 0.962 46.063 45.100 0.001 0.000 1.309 164 G HN 0.299 8.419 8.290 0.027 0.187 0.546 165 V N -2.419 117.496 119.914 0.001 0.000 3.455 165 V HA 0.372 nan 4.120 nan 0.000 0.250 165 V C 0.094 176.198 176.094 0.017 0.000 1.230 165 V CA -0.318 61.985 62.300 0.005 0.000 1.105 165 V CB 0.854 32.674 31.823 -0.005 0.000 0.850 165 V HN -0.023 8.165 8.190 -0.002 0.000 0.461 166 K N 1.820 122.234 120.400 0.023 0.000 2.185 166 K HA 0.072 nan 4.320 nan 0.000 0.271 166 K C 0.219 176.849 176.600 0.049 0.000 1.013 166 K CA 0.210 56.519 56.287 0.037 0.000 0.943 166 K CB 0.598 33.123 32.500 0.042 0.000 0.998 166 K HN -0.196 8.065 8.250 0.019 0.000 0.468 167 G N 2.197 111.029 108.800 0.053 0.000 2.549 167 G HA2 -0.339 nan 3.960 nan 0.000 0.404 167 G HA3 -0.339 nan 3.960 nan 0.000 0.404 167 G C -1.312 173.607 174.900 0.031 0.000 1.292 167 G CA -0.555 44.577 45.100 0.054 0.000 0.935 167 G HN 0.019 8.339 8.290 0.049 0.000 0.512 168 N N -0.120 118.591 118.700 0.019 0.000 2.478 168 N HA 0.233 nan 4.740 nan 0.000 0.275 168 N C -0.441 175.072 175.510 0.005 0.000 1.221 168 N CA -1.364 51.689 53.050 0.006 0.000 0.979 168 N CB 1.783 40.265 38.487 -0.008 0.000 1.202 168 N HN 0.236 8.626 8.380 0.017 0.000 0.564 169 K N -0.705 119.697 120.400 0.003 0.000 2.218 169 K HA -0.243 nan 4.320 nan 0.000 0.205 169 K C -0.362 176.238 176.600 0.001 0.000 1.046 169 K CA 2.176 58.465 56.287 0.004 0.000 0.933 169 K CB 0.383 32.884 32.500 0.002 0.000 0.728 169 K HN 0.282 8.532 8.250 0.001 0.000 0.454 170 E N -4.562 115.633 120.200 -0.009 0.000 2.431 170 E HA 0.177 nan 4.350 nan 0.000 0.268 170 E C -2.249 174.331 176.600 -0.033 0.000 0.953 170 E CA -1.439 54.951 56.400 -0.016 0.000 0.810 170 E CB 2.276 31.963 29.700 -0.023 0.000 1.369 170 E HN -0.565 7.754 8.360 -0.012 0.034 0.440 171 L N -1.605 119.588 121.223 -0.051 0.000 2.299 171 L HA 0.354 nan 4.340 nan 0.000 0.268 171 L C -1.504 175.258 176.870 -0.181 0.000 1.012 171 L CA -3.076 51.702 54.840 -0.104 0.000 0.816 171 L CB 0.424 42.453 42.059 -0.050 0.000 1.355 171 L HN -0.060 8.146 8.230 -0.041 0.000 0.457 172 P HA 0.035 nan 4.420 nan 0.000 0.271 172 P C -1.525 175.672 177.300 -0.172 0.000 1.244 172 P CA -0.590 62.305 63.100 -0.342 0.000 0.793 172 P CB 0.639 31.939 31.700 -0.667 0.000 0.984 173 D N -0.755 119.580 120.400 -0.108 0.000 2.344 173 D HA -0.054 nan 4.640 nan 0.000 0.244 173 D C 0.319 176.607 176.300 -0.020 0.000 1.134 173 D CA 0.005 53.974 54.000 -0.052 0.000 0.930 173 D CB 1.596 42.373 40.800 -0.037 0.000 1.175 173 D HN 0.107 8.410 8.370 -0.112 0.000 0.437 174 S N 1.315 117.015 115.700 -0.000 0.000 2.343 174 S HA -0.196 nan 4.470 nan 0.000 0.219 174 S C 1.991 176.612 174.600 0.035 0.000 1.033 174 S CA 3.395 61.612 58.200 0.028 0.000 1.014 174 S CB 0.157 63.366 63.200 0.014 0.000 0.915 174 S HN 0.277 8.582 8.310 -0.008 0.000 0.435 175 K N 0.814 121.223 120.400 0.015 0.000 2.209 175 K HA -0.268 nan 4.320 nan 0.000 0.204 175 K C 2.417 179.026 176.600 0.015 0.000 1.048 175 K CA 3.175 59.470 56.287 0.014 0.000 0.940 175 K CB -0.221 32.281 32.500 0.002 0.000 0.729 175 K HN 0.045 8.503 8.250 0.005 -0.205 0.451 176 E N -3.107 117.098 120.200 0.008 0.000 2.516 176 E HA -0.176 nan 4.350 nan 0.000 0.199 176 E C 0.656 177.277 176.600 0.034 0.000 1.069 176 E CA 1.657 58.059 56.400 0.003 0.000 0.876 176 E CB -0.048 29.637 29.700 -0.024 0.000 0.843 176 E HN -0.440 7.950 8.360 -0.000 -0.030 0.530 177 V N -3.240 116.712 119.914 0.064 0.000 3.058 177 V HA 0.127 nan 4.120 nan 0.000 0.233 177 V C 1.748 177.891 176.094 0.082 0.000 1.255 177 V CA 1.471 63.840 62.300 0.115 0.000 1.267 177 V CB 1.153 33.100 31.823 0.207 0.000 1.049 177 V HN -0.172 7.831 8.190 0.054 0.219 0.486 178 L N 0.744 122.011 121.223 0.073 0.000 1.970 178 L HA -0.516 nan 4.340 nan 0.000 0.212 178 L C 1.251 178.141 176.870 0.034 0.000 1.071 178 L CA 4.489 59.367 54.840 0.062 0.000 0.751 178 L CB 0.064 42.152 42.059 0.049 0.000 0.889 178 L HN 0.702 8.789 8.230 0.070 0.185 0.432 179 E N -2.217 117.996 120.200 0.021 0.000 2.016 179 E HA -0.360 nan 4.350 nan 0.000 0.190 179 E C 2.733 179.336 176.600 0.005 0.000 0.985 179 E CA 3.075 59.479 56.400 0.007 0.000 0.802 179 E CB -0.159 29.541 29.700 0.001 0.000 0.762 179 E HN 0.027 8.281 8.360 0.023 0.120 0.448 180 K N -1.476 118.929 120.400 0.008 0.000 2.001 180 K HA -0.319 nan 4.320 nan 0.000 0.214 180 K C 2.575 179.177 176.600 0.004 0.000 1.050 180 K CA 3.183 59.473 56.287 0.004 0.000 0.934 180 K CB -0.046 32.458 32.500 0.006 0.000 0.718 180 K HN -0.652 7.605 8.250 0.012 0.000 0.443 181 V N -2.818 117.107 119.914 0.017 0.000 3.644 181 V HA -0.003 nan 4.120 nan 0.000 0.267 181 V C 0.749 176.840 176.094 -0.005 0.000 1.277 181 V CA 2.018 64.323 62.300 0.007 0.000 1.096 181 V CB 0.224 32.061 31.823 0.023 0.000 0.828 181 V HN -0.134 7.964 8.190 0.034 0.112 0.446 182 L N -2.102 119.125 121.223 0.007 0.000 2.577 182 L HA 0.245 nan 4.340 nan 0.000 0.225 182 L C -0.112 176.754 176.870 -0.005 0.000 1.053 182 L CA 1.206 56.046 54.840 0.000 0.000 0.866 182 L CB 1.280 43.358 42.059 0.032 0.000 1.132 182 L HN -0.446 7.706 8.230 0.018 0.089 0.486 183 L N -1.527 119.694 121.223 -0.003 0.000 2.453 183 L HA -0.174 nan 4.340 nan 0.000 0.272 183 L C -1.139 175.715 176.870 -0.026 0.000 1.182 183 L CA 0.094 54.926 54.840 -0.013 0.000 0.858 183 L CB 0.323 42.374 42.059 -0.013 0.000 1.120 183 L HN -0.195 8.037 8.230 0.002 0.000 0.474 184 R N 2.202 122.682 120.500 -0.033 0.000 2.582 184 R HA 0.131 nan 4.340 nan 0.000 0.271 184 R C -0.706 175.578 176.300 -0.026 0.000 1.078 184 R CA 0.172 56.248 56.100 -0.041 0.000 1.127 184 R CB 0.803 31.071 30.300 -0.053 0.000 1.038 184 R HN -0.172 8.079 8.270 -0.032 0.000 0.500 185 R N 1.583 122.069 120.500 -0.023 0.000 2.006 185 R HA 0.092 nan 4.340 nan 0.000 0.181 185 R C -0.368 175.935 176.300 0.004 0.000 1.617 185 R CA -0.242 55.851 56.100 -0.012 0.000 1.276 185 R CB -0.080 30.211 30.300 -0.015 0.000 1.107 185 R HN 0.457 8.708 8.270 -0.031 0.000 0.474 186 E N -0.121 120.085 120.200 0.009 0.000 2.242 186 E HA 0.037 nan 4.350 nan 0.000 0.275 186 E C -1.198 175.446 176.600 0.074 0.000 1.002 186 E CA -1.419 55.006 56.400 0.042 0.000 0.841 186 E CB 1.318 31.035 29.700 0.028 0.000 1.109 186 E HN -0.265 8.092 8.360 -0.006 0.000 0.394 187 F N 2.443 122.363 119.950 -0.050 0.000 2.541 187 F HA -0.070 nan 4.527 nan 0.000 0.378 187 F C -0.725 175.038 175.800 -0.062 0.000 1.068 187 F CA 0.143 58.109 58.000 -0.056 0.000 1.199 187 F CB 0.565 39.525 39.000 -0.066 0.000 1.091 187 F HN 0.052 8.488 8.300 0.227 0.000 0.555 188 I N 9.281 129.629 120.570 -0.370 0.000 2.321 188 I HA 0.306 nan 4.170 nan 0.000 0.291 188 I C -1.646 174.186 176.117 -0.476 0.000 0.998 188 I CA -3.401 57.750 61.300 -0.249 0.000 1.227 188 I CB 1.730 39.600 38.000 -0.217 0.000 1.368 188 I HN 0.087 8.273 8.210 -0.549 -0.305 0.466 189 P HA 0.222 nan 4.420 nan 0.000 0.282 189 P C -1.444 175.799 177.300 -0.095 0.000 1.249 189 P CA -1.302 61.858 63.100 0.099 0.000 0.806 189 P CB 0.569 32.437 31.700 0.281 0.000 0.984 190 D N 1.711 122.032 120.400 -0.132 0.000 2.455 190 D HA -0.040 nan 4.640 nan 0.000 0.241 190 D C 1.097 177.296 176.300 -0.167 0.000 1.138 190 D CA -2.066 51.810 54.000 -0.206 0.000 0.877 190 D CB 1.530 42.178 40.800 -0.254 0.000 1.187 190 D HN 0.109 8.429 8.370 -0.082 0.000 0.451 191 P HA 0.054 nan 4.420 nan 0.000 0.245 191 P C -0.850 176.335 177.300 -0.190 0.000 1.212 191 P CA 1.095 64.094 63.100 -0.168 0.000 0.774 191 P CB -0.017 31.579 31.700 -0.173 0.000 0.999 192 Q N -3.399 116.256 119.800 -0.241 0.000 2.282 192 Q HA 0.134 nan 4.340 nan 0.000 0.206 192 Q C 0.174 176.073 176.000 -0.167 0.000 0.878 192 Q CA -0.423 55.216 55.803 -0.273 0.000 0.944 192 Q CB 0.573 29.049 28.738 -0.437 0.000 1.100 192 Q HN -0.437 8.030 8.270 -0.266 -0.357 0.509 193 G N -0.333 108.400 108.800 -0.113 0.000 2.198 193 G HA2 -0.458 nan 3.960 nan 0.000 0.257 193 G HA3 -0.458 nan 3.960 nan 0.000 0.257 193 G C -0.660 174.239 174.900 -0.001 0.000 1.042 193 G CA 0.157 45.235 45.100 -0.037 0.000 0.791 193 G HN -0.577 7.587 8.290 -0.136 0.044 0.502 194 S N 1.686 117.317 115.700 -0.114 0.000 2.488 194 S HA -0.102 nan 4.470 nan 0.000 0.278 194 S C -0.780 173.717 174.600 -0.171 0.000 1.259 194 S CA 0.663 58.667 58.200 -0.328 0.000 1.061 194 S CB 0.447 63.238 63.200 -0.682 0.000 0.910 194 S HN 0.134 8.663 8.310 -0.166 -0.319 0.491 195 N N 6.190 124.842 118.700 -0.080 0.000 2.514 195 N HA 0.427 nan 4.740 nan 0.000 0.299 195 N C 0.835 176.369 175.510 0.040 0.000 1.292 195 N CA -0.900 52.165 53.050 0.025 0.000 0.963 195 N CB 0.233 38.782 38.487 0.104 0.000 1.124 195 N HN -0.192 8.125 8.380 -0.105 0.000 0.580 196 M N -1.951 117.659 119.600 0.018 0.000 2.558 196 M HA 0.116 nan 4.480 nan 0.000 0.255 196 M C 1.739 178.086 176.300 0.079 0.000 1.113 196 M CA 0.803 55.985 55.300 -0.197 0.000 1.097 196 M CB -0.927 31.258 32.600 -0.691 0.000 1.426 196 M HN -0.026 8.304 8.290 0.067 0.000 0.488 197 M N 1.721 121.546 119.600 0.375 0.000 2.123 197 M HA -0.258 nan 4.480 nan 0.000 0.263 197 M C 2.042 178.793 176.300 0.752 0.000 1.069 197 M CA 2.574 58.237 55.300 0.605 0.000 1.133 197 M CB -0.724 32.181 32.600 0.508 0.000 1.356 197 M HN -0.615 7.906 8.290 0.321 -0.039 0.415 198 F N 0.709 120.900 119.950 0.403 0.000 2.075 198 F HA -0.406 nan 4.527 nan 0.000 0.297 198 F C 0.710 176.561 175.800 0.084 0.000 1.113 198 F CA 3.545 61.541 58.000 -0.006 0.000 1.218 198 F CB -0.250 38.580 39.000 -0.283 0.000 0.984 198 F HN 0.313 9.347 8.300 0.601 -0.374 0.472 199 A N -0.490 122.627 122.820 0.496 0.000 1.903 199 A HA -0.401 nan 4.320 nan 0.000 0.219 199 A C 2.357 180.063 177.584 0.203 0.000 1.191 199 A CA 3.065 55.268 52.037 0.277 0.000 0.638 199 A CB -0.945 18.009 19.000 -0.077 0.000 0.823 199 A HN -0.216 8.167 8.150 0.388 0.000 0.451 200 F N -4.428 115.695 119.950 0.290 0.000 2.407 200 F HA -0.174 nan 4.527 nan 0.000 0.299 200 F C 1.451 177.507 175.800 0.426 0.000 1.097 200 F CA 1.532 59.709 58.000 0.295 0.000 1.422 200 F CB -0.378 38.774 39.000 0.254 0.000 1.067 200 F HN -0.237 8.139 8.300 0.304 0.106 0.539 201 F N 2.159 122.447 119.950 0.564 0.000 2.084 201 F HA -0.427 nan 4.527 nan 0.000 0.296 201 F C 0.892 176.785 175.800 0.156 0.000 1.111 201 F CA 3.576 61.687 58.000 0.185 0.000 1.224 201 F CB 0.051 39.051 39.000 0.000 0.000 0.991 201 F HN -0.484 8.167 8.300 0.807 0.133 0.471 202 A N -2.385 120.714 122.820 0.465 0.000 2.125 202 A HA -0.389 nan 4.320 nan 0.000 0.219 202 A C 1.189 178.999 177.584 0.376 0.000 1.156 202 A CA 3.039 55.412 52.037 0.560 0.000 0.671 202 A CB -1.042 18.246 19.000 0.479 0.000 0.794 202 A HN 0.462 8.788 8.150 0.292 0.000 0.459 203 Q N -1.724 118.221 119.800 0.242 0.000 2.061 203 Q HA -0.314 nan 4.340 nan 0.000 0.195 203 Q C 2.026 177.916 176.000 -0.183 0.000 0.967 203 Q CA 2.722 58.523 55.803 -0.003 0.000 0.829 203 Q CB 0.232 28.965 28.738 -0.008 0.000 0.900 203 Q HN -0.426 7.863 8.270 0.305 0.164 0.450 204 H N 0.512 119.421 119.070 -0.268 0.000 2.319 204 H HA -0.293 nan 4.556 nan 0.000 0.299 204 H C 1.614 176.787 175.328 -0.260 0.000 1.092 204 H CA 3.627 59.384 56.048 -0.485 0.000 1.302 204 H CB 0.063 29.533 29.762 -0.487 0.000 1.373 204 H HN -0.394 7.943 8.280 0.095 0.000 0.497 205 F N -1.731 117.981 119.950 -0.397 0.000 2.046 205 F HA -0.258 nan 4.527 nan 0.000 0.297 205 F C 1.510 176.994 175.800 -0.526 0.000 1.123 205 F CA 3.846 61.605 58.000 -0.401 0.000 1.199 205 F CB 0.271 39.126 39.000 -0.243 0.000 0.972 205 F HN 0.282 8.596 8.300 0.022 0.000 0.474 206 T N -2.441 111.710 114.554 -0.671 0.000 3.007 206 T HA -0.290 nan 4.350 nan 0.000 0.270 206 T C 1.802 175.967 174.700 -0.892 0.000 1.107 206 T CA 3.419 64.735 62.100 -1.307 0.000 1.118 206 T CB -0.798 67.843 68.868 -0.379 0.000 0.889 206 T HN -0.413 7.773 8.240 -0.089 0.000 0.506 207 H N 2.285 121.077 119.070 -0.465 0.000 2.553 207 H HA 0.024 nan 4.556 nan 0.000 0.269 207 H C 0.011 175.232 175.328 -0.179 0.000 1.011 207 H CA 1.093 57.060 56.048 -0.134 0.000 1.150 207 H CB -1.095 28.794 29.762 0.212 0.000 1.339 207 H HN -0.418 7.670 8.280 -0.053 0.160 0.604 208 Q N -1.845 117.743 119.800 -0.353 0.000 2.200 208 Q HA -0.205 nan 4.340 nan 0.000 0.197 208 Q C 0.146 175.976 176.000 -0.282 0.000 0.953 208 Q CA 1.810 57.466 55.803 -0.245 0.000 0.851 208 Q CB 0.586 29.189 28.738 -0.225 0.000 0.938 208 Q HN -0.683 7.096 8.270 -0.689 0.077 0.488 209 F N -4.021 115.658 119.950 -0.451 0.000 2.187 209 F HA 0.044 nan 4.527 nan 0.000 0.295 209 F C -0.179 175.364 175.800 -0.428 0.000 1.091 209 F CA -0.871 56.816 58.000 -0.521 0.000 1.308 209 F CB -0.098 38.498 39.000 -0.674 0.000 1.030 209 F HN -0.740 6.742 8.300 -1.363 0.000 0.487 210 F N -0.289 119.544 119.950 -0.195 0.000 2.445 210 F HA -0.090 nan 4.527 nan 0.000 0.359 210 F C 0.344 176.014 175.800 -0.217 0.000 1.101 210 F CA -0.168 57.743 58.000 -0.149 0.000 1.177 210 F CB -0.161 38.638 39.000 -0.335 0.000 1.110 210 F HN -0.108 7.645 8.300 -0.913 0.000 0.522 211 K N 2.875 123.333 120.400 0.097 0.000 3.066 211 K HA 0.114 nan 4.320 nan 0.000 0.168 211 K C -0.682 175.885 176.600 -0.054 0.000 1.076 211 K CA -0.410 55.853 56.287 -0.040 0.000 1.082 211 K CB 1.278 33.712 32.500 -0.109 0.000 0.700 211 K HN -0.024 8.405 8.250 0.299 0.000 0.403 212 T N 2.237 116.833 114.554 0.069 0.000 2.588 212 T HA -0.298 nan 4.350 nan 0.000 0.236 212 T C 0.248 174.731 174.700 -0.362 0.000 1.027 212 T CA 1.566 63.658 62.100 -0.013 0.000 1.167 212 T CB -0.185 68.739 68.868 0.093 0.000 1.014 212 T HN -0.464 7.907 8.240 0.219 0.000 0.476 213 D N 6.537 126.842 120.400 -0.159 0.000 2.470 213 D HA 0.120 nan 4.640 nan 0.000 0.226 213 D C 0.553 176.815 176.300 -0.063 0.000 1.196 213 D CA -1.844 52.071 54.000 -0.141 0.000 0.979 213 D CB -0.178 40.579 40.800 -0.070 0.000 1.059 213 D HN 0.303 8.520 8.370 -0.042 0.128 0.515 214 H N 5.139 124.260 119.070 0.086 0.000 2.387 214 H HA -0.348 nan 4.556 nan 0.000 0.299 214 H C 1.156 176.516 175.328 0.053 0.000 1.090 214 H CA 2.733 58.834 56.048 0.089 0.000 1.332 214 H CB 0.048 29.848 29.762 0.064 0.000 1.386 214 H HN -0.261 7.663 8.280 -0.547 0.027 0.516 215 K N -0.750 119.705 120.400 0.092 0.000 2.127 215 K HA -0.286 nan 4.320 nan 0.000 0.208 215 K C 1.274 177.849 176.600 -0.042 0.000 1.047 215 K CA 2.522 58.820 56.287 0.018 0.000 0.927 215 K CB -0.026 32.457 32.500 -0.028 0.000 0.716 215 K HN 0.067 8.373 8.250 0.062 -0.018 0.450 216 R N -2.041 118.385 120.500 -0.123 0.000 2.112 216 R HA -0.051 nan 4.340 nan 0.000 0.216 216 R C -0.273 176.040 176.300 0.021 0.000 1.080 216 R CA -0.273 55.613 56.100 -0.356 0.000 0.996 216 R CB 1.339 31.045 30.300 -0.991 0.000 0.902 216 R HN -0.460 7.875 8.270 -0.094 -0.121 0.449 217 G N -4.042 104.907 108.800 0.249 0.000 2.353 217 G HA2 -0.032 nan 3.960 nan 0.000 0.424 217 G HA3 -0.032 nan 3.960 nan 0.000 0.424 217 G C -3.508 171.656 174.900 0.439 0.000 1.320 217 G CA -0.851 44.479 45.100 0.384 0.000 0.995 217 G HN -0.292 7.919 8.290 0.179 0.186 0.580 218 P HA 0.210 nan 4.420 nan 0.000 0.279 218 P C -0.338 177.122 177.300 0.267 0.000 1.239 218 P CA -0.151 63.129 63.100 0.301 0.000 0.789 218 P CB 0.121 31.945 31.700 0.206 0.000 0.933 219 G N -0.036 108.973 108.800 0.348 0.000 2.238 219 G HA2 -0.294 nan 3.960 nan 0.000 0.217 219 G HA3 -0.294 nan 3.960 nan 0.000 0.217 219 G C -1.636 173.371 174.900 0.177 0.000 0.996 219 G CA -0.085 45.173 45.100 0.263 0.000 0.632 219 G HN 0.323 8.903 8.290 0.484 0.000 0.503 220 F N 0.554 120.665 119.950 0.268 0.000 2.436 220 F HA 0.527 nan 4.527 nan 0.000 0.340 220 F C -1.029 174.623 175.800 -0.246 0.000 1.113 220 F CA -1.058 56.942 58.000 0.001 0.000 1.022 220 F CB 1.536 40.541 39.000 0.009 0.000 1.128 220 F HN -0.792 7.677 8.300 0.430 0.089 0.466 221 T N 3.766 118.109 114.554 -0.350 0.000 2.938 221 T HA 0.518 nan 4.350 nan 0.000 0.285 221 T C -1.747 172.802 174.700 -0.252 0.000 1.028 221 T CA -2.536 59.247 62.100 -0.529 0.000 1.005 221 T CB 2.072 70.310 68.868 -1.050 0.000 1.157 221 T HN 0.659 8.650 8.240 -0.231 0.110 0.550 222 R N -1.952 118.408 120.500 -0.233 0.000 2.541 222 R HA 0.267 nan 4.340 nan 0.000 0.332 222 R C 1.088 177.282 176.300 -0.175 0.000 0.951 222 R CA -0.263 55.736 56.100 -0.168 0.000 1.136 222 R CB 1.922 32.137 30.300 -0.142 0.000 1.449 222 R HN 0.406 8.523 8.270 -0.256 0.000 0.531 223 G N 1.623 110.286 108.800 -0.228 0.000 3.636 223 G HA2 0.211 nan 3.960 nan 0.000 0.260 223 G HA3 0.211 nan 3.960 nan 0.000 0.260 223 G C -0.631 174.124 174.900 -0.241 0.000 1.014 223 G CA -0.559 44.413 45.100 -0.214 0.000 1.797 223 G HN 0.117 8.237 8.290 -0.284 0.000 0.637 224 L N 0.178 121.315 121.223 -0.143 0.000 2.189 224 L HA -0.310 nan 4.340 nan 0.000 0.214 224 L C 1.392 178.308 176.870 0.078 0.000 1.097 224 L CA 1.759 56.588 54.840 -0.018 0.000 0.764 224 L CB -0.123 41.915 42.059 -0.036 0.000 0.900 224 L HN -0.564 7.508 8.230 -0.134 0.077 0.436 225 G N -3.932 104.853 108.800 -0.025 0.000 3.452 225 G HA2 -0.080 nan 3.960 nan 0.000 0.258 225 G HA3 -0.080 nan 3.960 nan 0.000 0.258 225 G C -1.017 173.872 174.900 -0.018 0.000 1.305 225 G CA -1.065 44.020 45.100 -0.026 0.000 1.514 225 G HN -0.094 8.113 8.290 -0.075 0.037 0.593 226 H N 1.437 120.414 119.070 -0.155 0.000 3.989 226 H HA -0.455 nan 4.556 nan 0.000 0.221 226 H C -1.013 174.174 175.328 -0.235 0.000 0.545 226 H CA 1.187 57.128 56.048 -0.179 0.000 1.260 226 H CB -1.030 28.621 29.762 -0.184 0.000 1.413 226 H HN -0.333 8.011 8.280 0.314 0.124 0.838 227 G N -4.849 103.824 108.800 -0.211 0.000 2.369 227 G HA2 -0.153 nan 3.960 nan 0.000 0.293 227 G HA3 -0.153 nan 3.960 nan 0.000 0.293 227 G C -1.529 173.225 174.900 -0.243 0.000 1.301 227 G CA -0.430 44.466 45.100 -0.340 0.000 0.913 227 G HN -0.538 7.645 8.290 -0.178 0.000 0.540 228 V N 0.288 120.050 119.914 -0.254 0.000 1.983 228 V HA -0.168 nan 4.120 nan 0.000 0.237 228 V C -0.355 175.675 176.094 -0.107 0.000 1.601 228 V CA 0.527 62.759 62.300 -0.112 0.000 1.566 228 V CB -2.572 29.224 31.823 -0.045 0.000 1.557 228 V HN 0.409 8.412 8.190 -0.311 0.000 0.500 229 D N 2.274 122.594 120.400 -0.133 0.000 2.328 229 D HA -0.073 nan 4.640 nan 0.000 0.221 229 D C -0.036 176.164 176.300 -0.168 0.000 1.072 229 D CA -0.829 53.095 54.000 -0.127 0.000 0.850 229 D CB 0.449 41.183 40.800 -0.111 0.000 0.922 229 D HN 0.118 8.359 8.370 -0.131 0.051 0.516 230 L N -4.766 116.267 121.223 -0.317 0.000 3.970 230 L HA -0.453 nan 4.340 nan 0.000 0.425 230 L C 0.737 177.353 176.870 -0.424 0.000 1.162 230 L CA 0.354 54.859 54.840 -0.558 0.000 0.968 230 L CB -2.643 39.279 42.059 -0.228 0.000 1.896 230 L HN -0.037 7.994 8.230 -0.305 0.017 1.006 231 N N 0.702 119.194 118.700 -0.347 0.000 2.289 231 N HA -0.365 nan 4.740 nan 0.000 0.184 231 N C 0.822 176.212 175.510 -0.200 0.000 1.016 231 N CA 3.175 56.117 53.050 -0.181 0.000 0.872 231 N CB -0.304 38.086 38.487 -0.162 0.000 0.973 231 N HN 0.104 8.511 8.380 -0.355 -0.241 0.433 232 H N -2.561 116.364 119.070 -0.243 0.000 2.421 232 H HA -0.244 nan 4.556 nan 0.000 0.298 232 H C 1.693 176.843 175.328 -0.297 0.000 1.087 232 H CA 1.921 57.738 56.048 -0.384 0.000 1.330 232 H CB -0.933 28.565 29.762 -0.440 0.000 1.388 232 H HN -0.299 7.569 8.280 -0.635 0.031 0.526 233 I N -0.621 119.982 120.570 0.055 0.000 2.429 233 I HA -0.307 nan 4.170 nan 0.000 0.247 233 I C 0.818 176.763 176.117 -0.287 0.000 1.099 233 I CA 2.451 63.663 61.300 -0.148 0.000 1.422 233 I CB 0.754 38.441 38.000 -0.521 0.000 1.112 233 I HN -0.535 7.411 8.210 -0.203 0.142 0.430 234 Y N -3.154 117.111 120.300 -0.059 0.000 2.495 234 Y HA -0.052 nan 4.550 nan 0.000 0.293 234 Y C -0.062 175.813 175.900 -0.041 0.000 1.186 234 Y CA -0.599 57.482 58.100 -0.032 0.000 1.266 234 Y CB -0.389 38.065 38.460 -0.010 0.000 1.101 234 Y HN -0.655 7.587 8.280 -0.063 0.000 0.517 235 G N -0.567 108.255 108.800 0.036 0.000 2.767 235 G HA2 -0.399 nan 3.960 nan 0.000 0.686 235 G HA3 -0.399 nan 3.960 nan 0.000 0.686 235 G C -0.372 174.504 174.900 -0.039 0.000 1.213 235 G CA -0.164 44.927 45.100 -0.014 0.000 0.803 235 G HN -0.675 7.550 8.290 -0.017 0.055 0.603 236 E N 1.311 121.466 120.200 -0.074 0.000 2.478 236 E HA -0.071 nan 4.350 nan 0.000 0.198 236 E C -0.032 176.522 176.600 -0.077 0.000 1.046 236 E CA 1.530 57.878 56.400 -0.087 0.000 0.870 236 E CB 0.102 29.741 29.700 -0.101 0.000 0.818 236 E HN 0.631 8.943 8.360 -0.079 0.000 0.527 237 T N -5.507 109.004 114.554 -0.072 0.000 2.544 237 T HA 0.181 nan 4.350 nan 0.000 0.244 237 T C -1.628 173.004 174.700 -0.113 0.000 0.829 237 T CA -1.232 60.818 62.100 -0.084 0.000 1.210 237 T CB 1.761 70.580 68.868 -0.082 0.000 1.487 237 T HN -0.724 7.393 8.240 -0.064 0.085 0.488 238 L N -2.020 119.105 121.223 -0.162 0.000 2.433 238 L HA 0.518 nan 4.340 nan 0.000 0.200 238 L C 1.063 177.683 176.870 -0.418 0.000 1.059 238 L CA 1.226 55.880 54.840 -0.309 0.000 0.835 238 L CB 0.670 42.573 42.059 -0.259 0.000 1.076 238 L HN -0.013 8.136 8.230 -0.136 0.000 0.481 239 D N -0.203 120.070 120.400 -0.211 0.000 2.116 239 D HA -0.320 nan 4.640 nan 0.000 0.193 239 D C 2.566 178.838 176.300 -0.047 0.000 0.998 239 D CA 3.973 57.917 54.000 -0.093 0.000 0.836 239 D CB -0.108 40.671 40.800 -0.036 0.000 0.951 239 D HN 0.060 8.338 8.370 -0.153 0.000 0.449 240 R N -1.189 119.274 120.500 -0.062 0.000 2.090 240 R HA -0.212 nan 4.340 nan 0.000 0.228 240 R C 1.473 177.757 176.300 -0.025 0.000 1.110 240 R CA 2.362 58.444 56.100 -0.030 0.000 0.973 240 R CB -0.016 30.261 30.300 -0.037 0.000 0.869 240 R HN -0.177 8.035 8.270 -0.083 0.008 0.440 241 Q N -2.547 117.214 119.800 -0.065 0.000 2.170 241 Q HA -0.240 nan 4.340 nan 0.000 0.203 241 Q C 2.651 178.621 176.000 -0.050 0.000 0.976 241 Q CA 2.786 58.569 55.803 -0.034 0.000 0.858 241 Q CB -0.084 28.614 28.738 -0.067 0.000 0.907 241 Q HN 0.032 8.157 8.270 -0.111 0.078 0.433 242 H N -0.143 118.884 119.070 -0.072 0.000 2.363 242 H HA -0.078 nan 4.556 nan 0.000 0.301 242 H C 2.405 177.660 175.328 -0.122 0.000 1.074 242 H CA 1.985 57.998 56.048 -0.057 0.000 1.354 242 H CB -0.011 29.850 29.762 0.166 0.000 1.397 242 H HN -0.040 8.055 8.280 -0.107 0.122 0.516 243 K N -0.981 119.469 120.400 0.084 0.000 2.616 243 K HA -0.132 nan 4.320 nan 0.000 0.192 243 K C 0.967 177.555 176.600 -0.020 0.000 1.031 243 K CA 1.835 58.144 56.287 0.036 0.000 1.004 243 K CB -0.472 32.055 32.500 0.046 0.000 0.810 243 K HN -0.557 7.662 8.250 0.092 0.087 0.497 244 L N -3.781 117.400 121.223 -0.069 0.000 2.840 244 L HA 0.092 nan 4.340 nan 0.000 0.249 244 L C -0.787 175.995 176.870 -0.147 0.000 1.119 244 L CA -0.636 54.167 54.840 -0.063 0.000 0.930 244 L CB 1.801 43.853 42.059 -0.011 0.000 1.295 244 L HN -0.673 7.405 8.230 -0.090 0.098 0.534 245 R N -0.136 120.167 120.500 -0.329 0.000 2.490 245 R HA 0.022 nan 4.340 nan 0.000 0.278 245 R C -0.242 175.708 176.300 -0.583 0.000 1.069 245 R CA 0.651 56.444 56.100 -0.511 0.000 1.080 245 R CB 1.221 30.994 30.300 -0.878 0.000 1.030 245 R HN -0.676 7.257 8.270 -0.367 0.116 0.491 246 L N 5.864 126.880 121.223 -0.345 0.000 2.209 246 L HA -0.047 nan 4.340 nan 0.000 0.207 246 L C -0.351 176.508 176.870 -0.019 0.000 1.094 246 L CA 0.863 55.599 54.840 -0.174 0.000 0.790 246 L CB 0.968 42.948 42.059 -0.132 0.000 0.932 246 L HN 0.240 8.327 8.230 -0.238 0.000 0.447 247 F N -4.988 114.947 119.950 -0.025 0.000 3.040 247 F HA -0.423 nan 4.527 nan 0.000 0.298 247 F C -1.391 174.406 175.800 -0.005 0.000 0.948 247 F CA 1.139 59.113 58.000 -0.043 0.000 1.022 247 F CB -2.046 36.901 39.000 -0.089 0.000 1.023 247 F HN -0.512 7.593 8.300 -0.275 0.030 0.742 248 K N -0.120 120.384 120.400 0.173 0.000 2.616 248 K HA 0.083 nan 4.320 nan 0.000 0.255 248 K C -1.626 175.055 176.600 0.135 0.000 0.995 248 K CA -0.413 55.951 56.287 0.128 0.000 0.860 248 K CB 2.364 34.911 32.500 0.080 0.000 1.264 248 K HN -0.496 7.893 8.250 0.146 -0.052 0.451 249 D N 1.688 122.178 120.400 0.150 0.000 2.911 249 D HA -0.336 nan 4.640 nan 0.000 0.227 249 D C -0.112 176.313 176.300 0.209 0.000 1.164 249 D CA 1.271 55.370 54.000 0.166 0.000 0.782 249 D CB -1.497 39.385 40.800 0.136 0.000 1.094 249 D HN 0.771 9.227 8.370 0.143 0.000 0.425 250 G N -6.550 102.401 108.800 0.252 0.000 2.196 250 G HA2 -0.589 nan 3.960 nan 0.000 0.268 250 G HA3 -0.589 nan 3.960 nan 0.000 0.268 250 G C -0.507 174.673 174.900 0.467 0.000 0.975 250 G CA 0.566 45.884 45.100 0.364 0.000 0.648 250 G HN -0.043 8.500 8.290 0.231 -0.115 0.538 251 K N 0.236 120.823 120.400 0.311 0.000 2.319 251 K HA -0.044 nan 4.320 nan 0.000 0.265 251 K C -1.125 175.596 176.600 0.202 0.000 1.000 251 K CA 0.062 56.520 56.287 0.285 0.000 0.943 251 K CB 0.541 33.096 32.500 0.091 0.000 0.950 251 K HN -0.480 7.712 8.250 0.224 0.193 0.485 252 L N 2.131 123.451 121.223 0.163 0.000 2.357 252 L HA 0.357 nan 4.340 nan 0.000 0.273 252 L C -0.333 176.471 176.870 -0.110 0.000 1.080 252 L CA -1.903 52.940 54.840 0.005 0.000 0.803 252 L CB 0.982 43.021 42.059 -0.034 0.000 1.174 252 L HN -0.172 8.581 8.230 0.287 -0.351 0.443 253 K N 5.912 126.233 120.400 -0.131 0.000 2.295 253 K HA -0.056 nan 4.320 nan 0.000 0.270 253 K C -1.726 174.826 176.600 -0.080 0.000 1.011 253 K CA 0.937 57.111 56.287 -0.188 0.000 0.953 253 K CB 1.156 33.594 32.500 -0.102 0.000 0.956 253 K HN 0.339 8.530 8.250 -0.099 0.000 0.477 254 Y N -1.107 119.196 120.300 0.004 0.000 2.896 254 Y HA 0.619 nan 4.550 nan 0.000 0.317 254 Y C -2.337 173.558 175.900 -0.008 0.000 1.444 254 Y CA -1.899 56.189 58.100 -0.020 0.000 1.084 254 Y CB 1.791 40.229 38.460 -0.035 0.000 1.382 254 Y HN -0.272 7.828 8.280 -0.299 0.000 0.471 255 Q N -3.354 116.648 119.800 0.337 0.000 2.386 255 Q HA 0.288 nan 4.340 nan 0.000 0.274 255 Q C -2.452 173.564 176.000 0.028 0.000 1.011 255 Q CA -0.996 54.925 55.803 0.196 0.000 0.867 255 Q CB 4.157 32.987 28.738 0.153 0.000 1.409 255 Q HN 0.526 8.893 8.270 0.161 0.000 0.395 256 V N 3.861 123.782 119.914 0.010 0.000 2.364 256 V HA 0.480 nan 4.120 nan 0.000 0.272 256 V C -0.646 175.485 176.094 0.062 0.000 1.036 256 V CA -0.413 61.872 62.300 -0.024 0.000 0.880 256 V CB 0.151 31.926 31.823 -0.079 0.000 0.991 256 V HN 0.510 8.737 8.190 0.061 0.000 0.460 257 I N 7.616 128.270 120.570 0.140 0.000 2.330 257 I HA 0.156 nan 4.170 nan 0.000 0.286 257 I C 0.840 177.027 176.117 0.116 0.000 1.025 257 I CA -0.944 60.442 61.300 0.142 0.000 1.197 257 I CB 0.111 38.212 38.000 0.168 0.000 1.358 257 I HN 0.730 9.052 8.210 0.187 0.000 0.467 258 G N 8.584 117.421 108.800 0.061 0.000 2.530 258 G HA2 -0.437 nan 3.960 nan 0.000 0.247 258 G HA3 -0.437 nan 3.960 nan 0.000 0.247 258 G C 0.259 175.177 174.900 0.031 0.000 1.067 258 G CA 1.226 46.353 45.100 0.044 0.000 0.650 258 G HN 0.744 9.063 8.290 0.049 0.000 0.531 259 G N -0.784 108.032 108.800 0.027 0.000 4.362 259 G HA2 -0.105 nan 3.960 nan 0.000 0.220 259 G HA3 -0.105 nan 3.960 nan 0.000 0.220 259 G C -1.265 173.599 174.900 -0.060 0.000 0.795 259 G CA -0.132 44.959 45.100 -0.015 0.000 0.920 259 G HN 0.086 8.295 8.290 0.052 0.113 0.715 260 E N 0.680 120.853 120.200 -0.045 0.000 2.244 260 E HA 0.409 nan 4.350 nan 0.000 0.266 260 E C -1.475 174.892 176.600 -0.388 0.000 0.914 260 E CA -2.084 54.181 56.400 -0.225 0.000 0.794 260 E CB 2.709 32.255 29.700 -0.257 0.000 1.210 260 E HN -0.176 8.220 8.360 0.061 0.000 0.414 261 V N 1.823 121.407 119.914 -0.550 0.000 2.488 261 V HA 0.139 nan 4.120 nan 0.000 0.277 261 V C -0.837 174.787 176.094 -0.784 0.000 1.046 261 V CA 0.152 62.111 62.300 -0.569 0.000 0.986 261 V CB -0.311 31.190 31.823 -0.536 0.000 0.989 261 V HN 0.350 8.240 8.190 -0.499 0.000 0.475 262 Y N 6.798 126.951 120.300 -0.245 0.000 2.545 262 Y HA 0.427 nan 4.550 nan 0.000 0.348 262 Y C -2.886 172.814 175.900 -0.333 0.000 1.002 262 Y CA -3.209 54.653 58.100 -0.397 0.000 1.039 262 Y CB 3.154 41.282 38.460 -0.553 0.000 1.271 262 Y HN 0.886 8.928 8.280 -0.208 0.113 0.467 263 P HA 0.031 nan 4.420 nan 0.000 0.269 263 P C -2.378 174.910 177.300 -0.020 0.000 1.217 263 P CA -0.675 62.353 63.100 -0.121 0.000 0.783 263 P CB -0.685 30.950 31.700 -0.107 0.000 0.898 264 P HA 0.041 nan 4.420 nan 0.000 0.272 264 P C -1.345 176.068 177.300 0.188 0.000 1.230 264 P CA -0.829 62.342 63.100 0.119 0.000 0.788 264 P CB 1.348 33.096 31.700 0.079 0.000 0.949 265 T N -5.611 109.051 114.554 0.180 0.000 2.889 265 T HA 0.114 nan 4.350 nan 0.000 0.291 265 T C 1.163 175.936 174.700 0.121 0.000 0.995 265 T CA -1.259 60.947 62.100 0.177 0.000 1.092 265 T CB 1.676 70.615 68.868 0.118 0.000 0.954 265 T HN -0.288 8.037 8.240 0.143 0.000 0.506 266 V N 4.277 124.259 119.914 0.114 0.000 2.380 266 V HA -0.373 nan 4.120 nan 0.000 0.251 266 V C -0.162 175.966 176.094 0.056 0.000 1.063 266 V CA 3.569 65.925 62.300 0.093 0.000 1.055 266 V CB -0.653 31.232 31.823 0.103 0.000 0.657 266 V HN 0.607 8.763 8.190 0.120 0.106 0.455 267 K N -3.740 116.682 120.400 0.038 0.000 2.057 267 K HA -0.238 nan 4.320 nan 0.000 0.207 267 K C 0.281 176.901 176.600 0.034 0.000 1.049 267 K CA 2.599 58.900 56.287 0.024 0.000 0.931 267 K CB -0.134 32.372 32.500 0.009 0.000 0.714 267 K HN 0.141 8.394 8.250 0.031 0.016 0.440 268 D N -2.386 118.041 120.400 0.046 0.000 2.107 268 D HA -0.066 nan 4.640 nan 0.000 0.204 268 D C 0.675 177.003 176.300 0.045 0.000 0.978 268 D CA 1.897 55.925 54.000 0.047 0.000 0.852 268 D CB 1.385 42.220 40.800 0.059 0.000 1.008 268 D HN -0.690 7.612 8.370 0.056 0.101 0.458 269 T N -1.762 112.823 114.554 0.052 0.000 2.875 269 T HA 0.294 nan 4.350 nan 0.000 0.307 269 T C 1.284 176.012 174.700 0.047 0.000 1.013 269 T CA -1.008 61.119 62.100 0.045 0.000 0.970 269 T CB -0.772 68.121 68.868 0.042 0.000 0.986 269 T HN -0.195 8.084 8.240 0.064 0.000 0.536 270 Q N 4.571 124.395 119.800 0.040 0.000 2.656 270 Q HA -0.296 nan 4.340 nan 0.000 0.221 270 Q C 0.237 176.258 176.000 0.035 0.000 0.974 270 Q CA 1.122 56.947 55.803 0.037 0.000 0.959 270 Q CB -1.485 27.271 28.738 0.031 0.000 0.989 270 Q HN 0.591 8.885 8.270 0.039 0.000 0.579 271 V N -0.132 119.806 119.914 0.039 0.000 2.509 271 V HA -0.204 nan 4.120 nan 0.000 0.297 271 V C -0.769 175.346 176.094 0.035 0.000 1.014 271 V CA 0.321 62.639 62.300 0.031 0.000 1.127 271 V CB 0.427 32.270 31.823 0.033 0.000 0.925 271 V HN -0.287 7.821 8.190 0.042 0.107 0.480 272 E N 7.358 127.568 120.200 0.018 0.000 2.392 272 E HA 0.047 nan 4.350 nan 0.000 0.264 272 E C -1.410 175.195 176.600 0.009 0.000 1.024 272 E CA 0.960 57.370 56.400 0.016 0.000 0.903 272 E CB 1.013 30.712 29.700 -0.002 0.000 0.963 272 E HN 0.145 8.510 8.360 0.008 0.000 0.432 273 M N -0.513 119.098 119.600 0.019 0.000 2.744 273 M HA 0.582 nan 4.480 nan 0.000 0.283 273 M C -0.751 175.495 176.300 -0.091 0.000 1.275 273 M CA -1.868 53.411 55.300 -0.036 0.000 0.796 273 M CB 4.659 37.285 32.600 0.042 0.000 1.739 273 M HN 0.090 8.403 8.290 0.039 0.000 0.454 274 I N 0.602 121.013 120.570 -0.265 0.000 2.411 274 I HA 0.134 nan 4.170 nan 0.000 0.284 274 I C -2.023 173.835 176.117 -0.433 0.000 1.012 274 I CA -0.313 60.846 61.300 -0.235 0.000 1.119 274 I CB 0.568 38.474 38.000 -0.157 0.000 1.261 274 I HN -0.062 7.908 8.210 -0.401 0.000 0.448 275 Y N 5.485 125.712 120.300 -0.121 0.000 2.470 275 Y HA 0.318 nan 4.550 nan 0.000 0.341 275 Y C -2.244 173.483 175.900 -0.289 0.000 1.021 275 Y CA -3.052 54.927 58.100 -0.202 0.000 1.025 275 Y CB 1.949 40.301 38.460 -0.180 0.000 1.266 275 Y HN -0.032 8.244 8.280 -0.006 0.000 0.448 276 P HA 0.174 nan 4.420 nan 0.000 0.264 276 P C -1.835 175.220 177.300 -0.408 0.000 1.193 276 P CA -1.199 61.669 63.100 -0.387 0.000 0.763 276 P CB -0.195 31.174 31.700 -0.552 0.000 0.810 277 P HA -0.121 nan 4.420 nan 0.000 0.229 277 P C -1.271 176.056 177.300 0.045 0.000 1.597 277 P CA 1.095 64.163 63.100 -0.052 0.000 1.030 277 P CB -1.655 30.049 31.700 0.006 0.000 1.897 278 H N -5.442 113.602 119.070 -0.043 0.000 2.111 278 H HA 0.003 nan 4.556 nan 0.000 0.140 278 H C -0.501 174.789 175.328 -0.064 0.000 0.997 278 H CA -0.368 55.655 56.048 -0.042 0.000 0.591 278 H CB 0.672 30.418 29.762 -0.026 0.000 0.517 278 H HN 0.357 8.419 8.280 -0.294 0.042 0.374 279 I N 6.403 126.714 120.570 -0.432 0.000 2.741 279 I HA -0.064 nan 4.170 nan 0.000 0.288 279 I C 0.085 176.074 176.117 -0.213 0.000 1.192 279 I CA -0.531 60.586 61.300 -0.305 0.000 1.426 279 I CB -0.148 37.587 38.000 -0.442 0.000 1.367 279 I HN -0.168 7.601 8.210 -0.736 0.000 0.563 280 P HA -0.244 nan 4.420 nan 0.000 0.221 280 P C -1.102 176.104 177.300 -0.156 0.000 1.140 280 P CA 1.258 64.277 63.100 -0.135 0.000 0.797 280 P CB -0.244 31.376 31.700 -0.132 0.000 0.756 281 E N -8.200 111.864 120.200 -0.225 0.000 3.916 281 E HA -0.368 nan 4.350 nan 0.000 0.331 281 E C -0.420 176.068 176.600 -0.188 0.000 0.729 281 E CA 1.554 57.835 56.400 -0.198 0.000 1.222 281 E CB -1.459 28.175 29.700 -0.111 0.000 1.633 281 E HN -0.275 7.800 8.360 -0.289 0.112 0.437 282 N N -3.013 115.553 118.700 -0.223 0.000 2.273 282 N HA -0.001 nan 4.740 nan 0.000 0.192 282 N C 0.403 175.699 175.510 -0.356 0.000 1.132 282 N CA 0.322 53.264 53.050 -0.180 0.000 0.887 282 N CB 0.229 38.641 38.487 -0.125 0.000 1.048 282 N HN -0.066 8.058 8.380 -0.243 0.111 0.490 283 L N 1.260 122.159 121.223 -0.540 0.000 2.023 283 L HA 0.041 nan 4.340 nan 0.000 0.205 283 L C -0.611 175.558 176.870 -1.168 0.000 1.073 283 L CA 2.363 56.654 54.840 -0.914 0.000 0.745 283 L CB -0.731 40.867 42.059 -0.769 0.000 0.900 283 L HN -0.505 7.421 8.230 -0.453 0.033 0.435 284 Q N -0.934 118.249 119.800 -1.028 0.000 3.429 284 Q HA -0.326 nan 4.340 nan 0.000 0.338 284 Q C -0.943 175.002 176.000 -0.092 0.000 1.171 284 Q CA 0.775 56.045 55.803 -0.887 0.000 1.229 284 Q CB -2.352 26.109 28.738 -0.462 0.000 1.175 284 Q HN 0.131 7.858 8.270 -0.905 0.000 0.452 285 F N 1.022 121.040 119.950 0.113 0.000 2.389 285 F HA 0.087 nan 4.527 nan 0.000 0.337 285 F C 0.320 176.258 175.800 0.229 0.000 1.112 285 F CA -1.650 56.452 58.000 0.169 0.000 1.192 285 F CB 0.531 39.627 39.000 0.159 0.000 1.185 285 F HN 0.140 8.377 8.300 -0.081 0.014 0.552 286 A N 4.149 127.179 122.820 0.350 0.000 1.887 286 A HA -0.079 nan 4.320 nan 0.000 0.212 286 A C 0.728 178.396 177.584 0.140 0.000 1.198 286 A CA 2.901 55.060 52.037 0.203 0.000 0.628 286 A CB -0.114 18.970 19.000 0.139 0.000 0.847 286 A HN 0.787 9.140 8.150 0.339 0.000 0.449 287 V N -6.392 113.602 119.914 0.133 0.000 0.549 287 V HA -0.500 nan 4.120 nan 0.000 0.090 287 V C 1.104 177.217 176.094 0.032 0.000 2.287 287 V CA 2.299 64.661 62.300 0.104 0.000 3.570 287 V CB -1.508 30.430 31.823 0.192 0.000 0.916 287 V HN 0.431 8.706 8.190 0.140 0.000 0.926 288 G N 0.269 109.058 108.800 -0.019 0.000 4.020 288 G HA2 -0.160 nan 3.960 nan 0.000 0.195 288 G HA3 -0.160 nan 3.960 nan 0.000 0.195 288 G C -1.236 173.550 174.900 -0.189 0.000 1.819 288 G CA -0.131 44.920 45.100 -0.082 0.000 1.109 288 G HN 0.067 8.300 8.290 -0.008 0.053 0.385 289 Q N 3.842 123.404 119.800 -0.397 0.000 2.361 289 Q HA 0.121 nan 4.340 nan 0.000 0.250 289 Q C 0.301 176.035 176.000 -0.445 0.000 1.023 289 Q CA -1.131 54.293 55.803 -0.632 0.000 0.915 289 Q CB -0.014 27.796 28.738 -1.547 0.000 1.238 289 Q HN -0.269 7.757 8.270 -0.408 0.000 0.451 290 E N 7.462 127.518 120.200 -0.239 0.000 2.301 290 E HA -0.468 nan 4.350 nan 0.000 0.202 290 E C 0.911 177.438 176.600 -0.122 0.000 1.017 290 E CA 3.291 59.602 56.400 -0.148 0.000 0.831 290 E CB 0.123 29.758 29.700 -0.108 0.000 0.742 290 E HN 0.200 8.580 8.360 -0.218 -0.151 0.491 291 V N -0.727 119.152 119.914 -0.058 0.000 2.599 291 V HA -0.226 nan 4.120 nan 0.000 0.245 291 V C 1.423 177.638 176.094 0.201 0.000 1.046 291 V CA 3.418 65.764 62.300 0.077 0.000 1.065 291 V CB -0.368 31.568 31.823 0.187 0.000 0.703 291 V HN -0.353 7.997 8.190 -0.123 -0.233 0.464 292 F N -1.269 118.673 119.950 -0.014 0.000 2.331 292 F HA -0.346 nan 4.527 nan 0.000 0.299 292 F C 1.473 177.248 175.800 -0.042 0.000 1.041 292 F CA 0.841 58.837 58.000 -0.006 0.000 1.417 292 F CB -2.041 36.981 39.000 0.037 0.000 1.102 292 F HN -0.263 8.220 8.300 0.306 0.000 0.558 293 G N -3.425 105.391 108.800 0.028 0.000 2.712 293 G HA2 -0.163 nan 3.960 nan 0.000 0.212 293 G HA3 -0.163 nan 3.960 nan 0.000 0.212 293 G C 0.338 175.248 174.900 0.018 0.000 1.142 293 G CA 0.499 45.550 45.100 -0.080 0.000 0.789 293 G HN -0.772 7.395 8.290 -0.065 0.084 0.535 294 L N -0.953 120.304 121.223 0.057 0.000 2.599 294 L HA 0.070 nan 4.340 nan 0.000 0.230 294 L C -1.217 175.659 176.870 0.011 0.000 1.141 294 L CA 0.573 55.566 54.840 0.255 0.000 0.877 294 L CB 0.162 42.429 42.059 0.347 0.000 1.009 294 L HN -0.078 8.124 8.230 0.042 0.054 0.447 295 V N -2.307 117.542 119.914 -0.108 0.000 2.653 295 V HA 0.179 nan 4.120 nan 0.000 0.298 295 V C -2.405 173.431 176.094 -0.431 0.000 1.097 295 V CA -1.732 60.382 62.300 -0.309 0.000 0.908 295 V CB 1.756 33.449 31.823 -0.216 0.000 1.024 295 V HN -0.903 7.183 8.190 -0.061 0.068 0.435 296 P HA -0.216 nan 4.420 nan 0.000 0.220 296 P C 1.089 178.109 177.300 -0.467 0.000 1.144 296 P CA 3.016 65.766 63.100 -0.583 0.000 0.800 296 P CB 0.247 31.428 31.700 -0.865 0.000 0.772 297 G N -2.780 105.601 108.800 -0.699 0.000 2.414 297 G HA2 -0.179 nan 3.960 nan 0.000 0.215 297 G HA3 -0.179 nan 3.960 nan 0.000 0.215 297 G C 1.390 175.889 174.900 -0.668 0.000 1.188 297 G CA 1.743 46.218 45.100 -1.042 0.000 0.783 297 G HN 0.137 7.888 8.290 -0.831 0.040 0.537 298 L N 2.354 123.227 121.223 -0.583 0.000 1.956 298 L HA -0.273 nan 4.340 nan 0.000 0.216 298 L C 2.250 178.973 176.870 -0.245 0.000 1.073 298 L CA 2.263 56.853 54.840 -0.416 0.000 0.762 298 L CB -0.670 41.105 42.059 -0.472 0.000 0.889 298 L HN -0.526 7.313 8.230 -0.652 0.000 0.433 299 M N -1.694 117.813 119.600 -0.155 0.000 2.260 299 M HA -0.416 nan 4.480 nan 0.000 0.261 299 M C 1.846 178.085 176.300 -0.102 0.000 1.066 299 M CA 2.415 57.704 55.300 -0.018 0.000 1.082 299 M CB -0.560 32.073 32.600 0.055 0.000 1.388 299 M HN -0.563 7.614 8.290 -0.189 0.000 0.419 300 M N -0.741 118.703 119.600 -0.259 0.000 2.156 300 M HA -0.352 nan 4.480 nan 0.000 0.264 300 M C 1.940 178.086 176.300 -0.257 0.000 1.067 300 M CA 4.181 59.271 55.300 -0.350 0.000 1.131 300 M CB -0.375 31.930 32.600 -0.492 0.000 1.368 300 M HN -0.387 7.563 8.290 -0.310 0.153 0.416 301 Y N -1.626 118.506 120.300 -0.280 0.000 2.293 301 Y HA -0.319 nan 4.550 nan 0.000 0.291 301 Y C 1.670 177.409 175.900 -0.268 0.000 1.137 301 Y CA 2.170 60.028 58.100 -0.405 0.000 1.202 301 Y CB -0.848 37.156 38.460 -0.760 0.000 0.990 301 Y HN -0.250 7.806 8.280 -0.238 0.081 0.537 302 A N -1.553 121.303 122.820 0.061 0.000 1.898 302 A HA -0.316 nan 4.320 nan 0.000 0.216 302 A C 1.851 179.522 177.584 0.145 0.000 1.181 302 A CA 3.523 55.718 52.037 0.263 0.000 0.620 302 A CB -0.914 18.274 19.000 0.313 0.000 0.819 302 A HN -0.075 8.074 8.150 -0.001 0.000 0.442 303 T N 1.489 116.054 114.554 0.018 0.000 2.929 303 T HA -0.275 nan 4.350 nan 0.000 0.271 303 T C 2.159 176.806 174.700 -0.090 0.000 1.085 303 T CA 4.437 66.493 62.100 -0.073 0.000 1.125 303 T CB -0.826 67.951 68.868 -0.152 0.000 0.874 303 T HN -0.539 7.698 8.240 -0.004 0.000 0.494 304 I N 1.529 122.046 120.570 -0.089 0.000 2.094 304 I HA -0.400 nan 4.170 nan 0.000 0.234 304 I C 1.481 177.531 176.117 -0.112 0.000 1.063 304 I CA 2.247 63.444 61.300 -0.172 0.000 1.328 304 I CB -1.253 36.585 38.000 -0.270 0.000 1.058 304 I HN -0.653 7.361 8.210 -0.063 0.158 0.400 305 W N -1.508 119.822 121.300 0.051 0.000 2.317 305 W HA -0.441 nan 4.660 nan 0.000 0.318 305 W C 2.329 178.879 176.519 0.052 0.000 1.227 305 W CA 3.414 60.801 57.345 0.070 0.000 1.269 305 W CB -0.537 28.981 29.460 0.098 0.000 1.155 305 W HN -0.488 7.646 8.180 -0.077 0.000 0.484 306 L N -1.565 119.802 121.223 0.239 0.000 2.034 306 L HA -0.544 nan 4.340 nan 0.000 0.217 306 L C 1.433 178.406 176.870 0.171 0.000 1.077 306 L CA 3.960 58.886 54.840 0.144 0.000 0.769 306 L CB -0.309 41.797 42.059 0.078 0.000 0.890 306 L HN 0.598 8.978 8.230 0.249 0.000 0.435 307 R N -3.054 117.504 120.500 0.098 0.000 2.092 307 R HA -0.398 nan 4.340 nan 0.000 0.231 307 R C 2.229 178.600 176.300 0.118 0.000 1.119 307 R CA 3.374 59.519 56.100 0.074 0.000 0.970 307 R CB -0.588 29.686 30.300 -0.042 0.000 0.864 307 R HN -0.550 7.753 8.270 0.048 -0.004 0.440 308 E N -0.370 119.910 120.200 0.133 0.000 2.085 308 E HA -0.320 nan 4.350 nan 0.000 0.194 308 E C 2.046 178.776 176.600 0.216 0.000 0.994 308 E CA 2.743 59.239 56.400 0.160 0.000 0.801 308 E CB -0.481 29.340 29.700 0.202 0.000 0.743 308 E HN -0.214 8.115 8.360 0.118 0.102 0.453 309 H N -0.013 119.172 119.070 0.192 0.000 2.257 309 H HA -0.462 nan 4.556 nan 0.000 0.292 309 H C 2.373 177.799 175.328 0.163 0.000 1.075 309 H CA 4.159 60.318 56.048 0.184 0.000 1.212 309 H CB 0.106 29.970 29.762 0.170 0.000 1.354 309 H HN 0.128 8.627 8.280 0.376 0.007 0.497 310 Q N -1.817 118.152 119.800 0.281 0.000 2.082 310 Q HA -0.471 nan 4.340 nan 0.000 0.211 310 Q C 2.400 178.470 176.000 0.118 0.000 1.002 310 Q CA 3.499 59.425 55.803 0.205 0.000 0.868 310 Q CB -0.595 28.301 28.738 0.264 0.000 0.931 310 Q HN -0.476 8.025 8.270 0.385 0.000 0.414 311 R N -0.824 119.742 120.500 0.108 0.000 2.103 311 R HA -0.389 nan 4.340 nan 0.000 0.242 311 R C 2.377 178.716 176.300 0.065 0.000 1.142 311 R CA 3.368 59.514 56.100 0.077 0.000 0.960 311 R CB -0.072 30.265 30.300 0.062 0.000 0.858 311 R HN -0.333 8.014 8.270 0.127 0.000 0.439 312 V N -0.485 119.460 119.914 0.050 0.000 2.244 312 V HA -0.395 nan 4.120 nan 0.000 0.244 312 V C 1.874 177.992 176.094 0.039 0.000 1.042 312 V CA 4.222 66.547 62.300 0.043 0.000 1.006 312 V CB -0.682 31.155 31.823 0.024 0.000 0.641 312 V HN -0.072 8.058 8.190 0.054 0.093 0.446 313 C N 0.107 119.395 119.300 -0.020 0.000 2.391 313 C HA -0.544 nan 4.460 nan 0.000 0.276 313 C C 2.307 177.359 174.990 0.103 0.000 1.191 313 C CA 4.394 63.436 59.018 0.040 0.000 1.808 313 C CB -2.280 25.493 27.740 0.055 0.000 2.095 313 C HN 0.390 8.552 8.230 -0.113 0.000 0.478 314 D N -0.523 119.931 120.400 0.090 0.000 2.123 314 D HA -0.146 nan 4.640 nan 0.000 0.200 314 D C 2.190 178.534 176.300 0.073 0.000 0.976 314 D CA 3.425 57.477 54.000 0.086 0.000 0.831 314 D CB -0.613 40.234 40.800 0.078 0.000 0.974 314 D HN -0.033 8.359 8.370 0.080 0.026 0.469 315 I N -0.119 120.493 120.570 0.070 0.000 2.179 315 I HA -0.432 nan 4.170 nan 0.000 0.242 315 I C 2.645 178.806 176.117 0.073 0.000 1.088 315 I CA 3.240 64.577 61.300 0.061 0.000 1.357 315 I CB -0.021 38.020 38.000 0.068 0.000 1.051 315 I HN -0.287 7.883 8.210 0.072 0.083 0.409 316 L N -0.716 120.579 121.223 0.119 0.000 2.012 316 L HA -0.326 nan 4.340 nan 0.000 0.210 316 L C 2.033 178.985 176.870 0.137 0.000 1.073 316 L CA 2.955 57.900 54.840 0.175 0.000 0.748 316 L CB -1.090 41.135 42.059 0.277 0.000 0.891 316 L HN 0.242 8.542 8.230 0.117 0.000 0.431 317 K N -2.614 117.868 120.400 0.137 0.000 2.360 317 K HA -0.332 nan 4.320 nan 0.000 0.201 317 K C 0.860 177.483 176.600 0.040 0.000 1.046 317 K CA 2.534 58.893 56.287 0.119 0.000 0.945 317 K CB -0.131 32.443 32.500 0.123 0.000 0.750 317 K HN -0.046 8.084 8.250 0.137 0.202 0.464 318 Q N -3.932 115.869 119.800 0.001 0.000 2.157 318 Q HA 0.179 nan 4.340 nan 0.000 0.229 318 Q C -0.121 175.807 176.000 -0.121 0.000 0.827 318 Q CA -0.265 55.511 55.803 -0.045 0.000 1.055 318 Q CB 0.199 28.927 28.738 -0.017 0.000 1.157 318 Q HN -0.645 7.461 8.270 0.021 0.177 0.482 319 E N -1.695 118.386 120.200 -0.198 0.000 2.421 319 E HA 0.081 nan 4.350 nan 0.000 0.209 319 E C -0.444 175.572 176.600 -0.972 0.000 0.871 319 E CA 0.497 56.639 56.400 -0.431 0.000 1.064 319 E CB 2.794 32.332 29.700 -0.269 0.000 1.075 319 E HN 0.022 8.113 8.360 -0.124 0.195 0.513 320 H N -0.496 118.311 119.070 -0.440 0.000 2.429 320 H HA 0.411 nan 4.556 nan 0.000 0.231 320 H C -1.599 173.571 175.328 -0.265 0.000 1.416 320 H CA -2.851 52.822 56.048 -0.625 0.000 1.443 320 H CB -0.076 28.653 29.762 -1.722 0.000 1.591 320 H HN -0.083 8.044 8.280 -0.255 0.000 0.507 321 P HA -0.168 nan 4.420 nan 0.000 0.226 321 P C -0.702 176.628 177.300 0.051 0.000 1.146 321 P CA 1.686 64.778 63.100 -0.012 0.000 0.773 321 P CB -0.162 31.515 31.700 -0.038 0.000 0.772 322 E N -7.059 113.179 120.200 0.063 0.000 2.499 322 E HA 0.069 nan 4.350 nan 0.000 0.199 322 E C -0.662 176.132 176.600 0.324 0.000 1.016 322 E CA -0.871 55.617 56.400 0.146 0.000 0.933 322 E CB -0.908 28.860 29.700 0.112 0.000 1.050 322 E HN -0.254 8.007 8.360 -0.006 0.095 0.462 323 W N 0.792 122.159 121.300 0.111 0.000 2.253 323 W HA 0.122 nan 4.660 nan 0.000 0.348 323 W C 0.412 176.977 176.519 0.076 0.000 1.229 323 W CA -0.648 56.752 57.345 0.092 0.000 1.335 323 W CB 0.900 30.420 29.460 0.101 0.000 1.165 323 W HN 0.141 8.368 8.180 0.328 0.150 0.631 324 G N -0.323 108.618 108.800 0.235 0.000 2.509 324 G HA2 0.238 nan 3.960 nan 0.000 0.328 324 G HA3 0.238 nan 3.960 nan 0.000 0.328 324 G C -1.010 173.976 174.900 0.143 0.000 1.194 324 G CA -2.195 42.991 45.100 0.144 0.000 0.967 324 G HN 0.024 8.394 8.290 0.134 0.000 0.488 325 D N 0.023 120.506 120.400 0.138 0.000 2.127 325 D HA -0.436 nan 4.640 nan 0.000 0.190 325 D C 1.663 178.075 176.300 0.187 0.000 1.000 325 D CA 3.774 57.882 54.000 0.180 0.000 0.839 325 D CB -0.141 40.771 40.800 0.186 0.000 0.955 325 D HN 0.200 8.640 8.370 0.116 0.000 0.446 326 E N -2.370 117.900 120.200 0.117 0.000 2.171 326 E HA -0.336 nan 4.350 nan 0.000 0.197 326 E C 2.475 179.117 176.600 0.070 0.000 0.997 326 E CA 3.328 59.789 56.400 0.101 0.000 0.810 326 E CB -0.509 29.205 29.700 0.024 0.000 0.738 326 E HN 0.422 8.829 8.360 0.079 0.000 0.467 327 Q N 0.084 119.851 119.800 -0.054 0.000 2.020 327 Q HA -0.189 nan 4.340 nan 0.000 0.198 327 Q C 2.514 178.387 176.000 -0.212 0.000 0.974 327 Q CA 3.026 58.651 55.803 -0.297 0.000 0.829 327 Q CB -0.155 28.157 28.738 -0.709 0.000 0.894 327 Q HN -0.553 7.572 8.270 -0.029 0.128 0.433 328 L N -0.124 121.120 121.223 0.035 0.000 2.043 328 L HA -0.459 nan 4.340 nan 0.000 0.212 328 L C 2.104 179.088 176.870 0.190 0.000 1.075 328 L CA 3.223 58.197 54.840 0.222 0.000 0.752 328 L CB -0.328 41.914 42.059 0.305 0.000 0.891 328 L HN -0.320 7.960 8.230 0.084 0.000 0.432 329 F N -0.598 119.424 119.950 0.120 0.000 2.075 329 F HA -0.525 nan 4.527 nan 0.000 0.297 329 F C 1.397 177.260 175.800 0.105 0.000 1.113 329 F CA 4.087 62.202 58.000 0.192 0.000 1.218 329 F CB 0.177 39.273 39.000 0.161 0.000 0.984 329 F HN 0.368 8.890 8.300 0.371 0.000 0.472 330 Q N -3.460 116.481 119.800 0.235 0.000 2.224 330 Q HA -0.282 nan 4.340 nan 0.000 0.203 330 Q C 2.992 178.976 176.000 -0.027 0.000 0.970 330 Q CA 2.974 58.825 55.803 0.079 0.000 0.865 330 Q CB -0.413 28.384 28.738 0.099 0.000 0.922 330 Q HN -0.183 8.279 8.270 0.319 0.000 0.445 331 T N 3.230 117.766 114.554 -0.029 0.000 2.937 331 T HA -0.094 nan 4.350 nan 0.000 0.260 331 T C 2.056 176.821 174.700 0.108 0.000 1.051 331 T CA 4.045 66.170 62.100 0.041 0.000 1.141 331 T CB -0.371 68.521 68.868 0.041 0.000 0.879 331 T HN 0.077 8.180 8.240 -0.033 0.116 0.459 332 S N 3.506 119.218 115.700 0.020 0.000 2.351 332 S HA -0.377 nan 4.470 nan 0.000 0.220 332 S C 1.186 175.817 174.600 0.050 0.000 1.035 332 S CA 4.369 62.547 58.200 -0.038 0.000 1.031 332 S CB -0.263 62.688 63.200 -0.414 0.000 0.928 332 S HN 0.088 8.394 8.310 -0.006 0.000 0.433 333 K N 1.127 121.496 120.400 -0.052 0.000 2.173 333 K HA -0.353 nan 4.320 nan 0.000 0.207 333 K C 2.227 178.872 176.600 0.074 0.000 1.046 333 K CA 3.356 59.600 56.287 -0.070 0.000 0.929 333 K CB -0.128 32.018 32.500 -0.589 0.000 0.720 333 K HN -0.569 7.547 8.250 -0.223 0.000 0.453 334 L N -2.515 118.789 121.223 0.135 0.000 2.072 334 L HA -0.301 nan 4.340 nan 0.000 0.205 334 L C 2.287 179.339 176.870 0.303 0.000 1.079 334 L CA 2.663 57.690 54.840 0.311 0.000 0.752 334 L CB -0.133 42.216 42.059 0.483 0.000 0.906 334 L HN -0.846 7.328 8.230 0.096 0.114 0.436 335 I N -0.463 120.266 120.570 0.264 0.000 2.142 335 I HA -0.579 nan 4.170 nan 0.000 0.240 335 I C 2.029 178.225 176.117 0.133 0.000 1.078 335 I CA 4.141 65.519 61.300 0.130 0.000 1.343 335 I CB -0.256 37.848 38.000 0.173 0.000 1.046 335 I HN -0.408 7.892 8.210 0.278 0.076 0.405 336 L N -0.818 120.518 121.223 0.188 0.000 1.997 336 L HA -0.421 nan 4.340 nan 0.000 0.216 336 L C 2.065 179.021 176.870 0.144 0.000 1.074 336 L CA 4.061 59.038 54.840 0.229 0.000 0.763 336 L CB -0.766 41.458 42.059 0.275 0.000 0.890 336 L HN 0.006 8.352 8.230 0.192 0.000 0.434 337 I N -2.202 118.434 120.570 0.110 0.000 2.194 337 I HA -0.619 nan 4.170 nan 0.000 0.246 337 I C 1.971 178.138 176.117 0.083 0.000 1.093 337 I CA 4.065 65.406 61.300 0.067 0.000 1.355 337 I CB -0.765 37.286 38.000 0.085 0.000 1.046 337 I HN -0.110 8.183 8.210 0.139 0.000 0.413 338 G N -1.346 107.521 108.800 0.112 0.000 2.446 338 G HA2 -0.387 nan 3.960 nan 0.000 0.217 338 G HA3 -0.387 nan 3.960 nan 0.000 0.217 338 G C 1.152 176.147 174.900 0.158 0.000 1.168 338 G CA 1.974 47.164 45.100 0.150 0.000 0.771 338 G HN -0.052 8.209 8.290 0.108 0.094 0.551 339 E N 1.644 121.939 120.200 0.158 0.000 2.038 339 E HA -0.436 nan 4.350 nan 0.000 0.195 339 E C 2.582 179.287 176.600 0.174 0.000 1.000 339 E CA 3.364 59.883 56.400 0.199 0.000 0.803 339 E CB -0.146 29.729 29.700 0.291 0.000 0.750 339 E HN 0.111 8.480 8.360 0.152 0.083 0.448 340 T N 2.889 117.551 114.554 0.179 0.000 2.699 340 T HA -0.290 nan 4.350 nan 0.000 0.268 340 T C 2.140 176.824 174.700 -0.027 0.000 1.036 340 T CA 5.009 67.196 62.100 0.144 0.000 1.147 340 T CB -0.702 68.189 68.868 0.039 0.000 0.862 340 T HN 0.427 8.664 8.240 0.173 0.107 0.446 341 I N -0.956 119.501 120.570 -0.189 0.000 2.493 341 I HA -0.478 nan 4.170 nan 0.000 0.254 341 I C 1.258 176.950 176.117 -0.709 0.000 1.160 341 I CA 3.321 64.311 61.300 -0.517 0.000 1.445 341 I CB -0.459 37.032 38.000 -0.848 0.000 1.086 341 I HN 0.050 8.183 8.210 -0.129 0.000 0.433 342 K N 0.271 120.400 120.400 -0.451 0.000 1.991 342 K HA -0.222 nan 4.320 nan 0.000 0.207 342 K C 1.925 178.505 176.600 -0.034 0.000 1.045 342 K CA 2.620 58.829 56.287 -0.131 0.000 0.937 342 K CB -0.363 32.239 32.500 0.170 0.000 0.720 342 K HN -0.525 7.431 8.250 -0.261 0.138 0.438 343 I N -0.196 120.388 120.570 0.023 0.000 2.118 343 I HA -0.546 nan 4.170 nan 0.000 0.241 343 I C 1.910 178.012 176.117 -0.024 0.000 1.070 343 I CA 4.587 65.915 61.300 0.048 0.000 1.327 343 I CB -0.044 38.049 38.000 0.155 0.000 1.034 343 I HN 0.034 8.280 8.210 0.060 0.000 0.405 344 V N -2.077 117.745 119.914 -0.153 0.000 3.140 344 V HA -0.325 nan 4.120 nan 0.000 0.269 344 V C 1.966 178.008 176.094 -0.088 0.000 1.149 344 V CA 3.444 65.549 62.300 -0.325 0.000 1.162 344 V CB -1.463 29.936 31.823 -0.706 0.000 0.756 344 V HN -0.005 8.110 8.190 -0.124 0.000 0.523 345 I N -1.068 119.487 120.570 -0.026 0.000 3.518 345 I HA -0.031 nan 4.170 nan 0.000 0.260 345 I C 1.571 177.747 176.117 0.099 0.000 1.148 345 I CA 2.263 63.599 61.300 0.061 0.000 1.440 345 I CB 0.525 38.552 38.000 0.046 0.000 1.485 345 I HN -0.198 7.785 8.210 -0.062 0.189 0.456 346 E N -0.242 120.008 120.200 0.082 0.000 2.204 346 E HA -0.298 nan 4.350 nan 0.000 0.195 346 E C 1.309 177.962 176.600 0.088 0.000 0.990 346 E CA 3.001 59.449 56.400 0.080 0.000 0.821 346 E CB -0.024 29.725 29.700 0.082 0.000 0.750 346 E HN 0.192 8.588 8.360 0.060 0.000 0.477 347 D N -2.073 118.406 120.400 0.132 0.000 3.161 347 D HA 0.133 nan 4.640 nan 0.000 0.287 347 D C 1.349 177.890 176.300 0.400 0.000 1.343 347 D CA 1.321 55.446 54.000 0.208 0.000 1.070 347 D CB 0.626 41.516 40.800 0.150 0.000 1.188 347 D HN 0.071 8.384 8.370 0.121 0.130 0.409 348 Y N 1.506 121.913 120.300 0.178 0.000 2.070 348 Y HA -0.430 nan 4.550 nan 0.000 0.280 348 Y C 1.804 177.789 175.900 0.140 0.000 1.148 348 Y CA 4.531 62.605 58.100 -0.044 0.000 1.125 348 Y CB 0.225 38.437 38.460 -0.413 0.000 0.975 348 Y HN -0.337 8.148 8.280 0.342 0.000 0.492 349 V N -1.600 118.578 119.914 0.441 0.000 2.358 349 V HA -0.491 nan 4.120 nan 0.000 0.246 349 V C 2.051 178.234 176.094 0.148 0.000 1.047 349 V CA 3.653 66.148 62.300 0.325 0.000 1.035 349 V CB -0.928 31.060 31.823 0.274 0.000 0.658 349 V HN -0.625 7.793 8.190 0.379 0.000 0.452 350 Q N -1.137 118.745 119.800 0.137 0.000 2.112 350 Q HA -0.363 nan 4.340 nan 0.000 0.206 350 Q C 2.333 178.344 176.000 0.019 0.000 0.987 350 Q CA 2.916 58.747 55.803 0.048 0.000 0.858 350 Q CB -0.538 28.239 28.738 0.065 0.000 0.905 350 Q HN -0.250 8.124 8.270 0.173 0.000 0.420 351 H N 0.736 119.834 119.070 0.047 0.000 2.307 351 H HA -0.150 nan 4.556 nan 0.000 0.303 351 H C 1.554 176.823 175.328 -0.099 0.000 1.073 351 H CA 3.279 59.333 56.048 0.010 0.000 1.338 351 H CB 0.406 30.265 29.762 0.161 0.000 1.389 351 H HN 0.100 8.450 8.280 0.309 0.115 0.503 352 L N -1.408 119.883 121.223 0.114 0.000 2.450 352 L HA -0.204 nan 4.340 nan 0.000 0.224 352 L C 0.640 177.391 176.870 -0.198 0.000 1.149 352 L CA 1.858 56.681 54.840 -0.029 0.000 0.816 352 L CB 0.380 42.572 42.059 0.222 0.000 0.932 352 L HN -0.122 8.292 8.230 0.307 0.000 0.449 353 S N -2.946 112.580 115.700 -0.290 0.000 2.427 353 S HA -0.047 nan 4.470 nan 0.000 0.224 353 S C 1.013 175.261 174.600 -0.587 0.000 1.047 353 S CA 1.100 58.946 58.200 -0.590 0.000 0.953 353 S CB 1.786 64.343 63.200 -1.072 0.000 0.824 353 S HN -0.324 7.688 8.310 -0.221 0.165 0.502 354 G N 3.353 111.881 108.800 -0.453 0.000 2.374 354 G HA2 -0.395 nan 3.960 nan 0.000 0.289 354 G HA3 -0.395 nan 3.960 nan 0.000 0.289 354 G C -1.032 173.749 174.900 -0.197 0.000 1.004 354 G CA 1.065 45.967 45.100 -0.329 0.000 1.292 354 G HN -0.515 7.526 8.290 -0.415 0.000 0.502 355 Y N -0.028 120.099 120.300 -0.289 0.000 2.504 355 Y HA 0.073 nan 4.550 nan 0.000 0.235 355 Y C 0.539 176.196 175.900 -0.406 0.000 1.024 355 Y CA -0.650 57.245 58.100 -0.341 0.000 1.161 355 Y CB 1.247 39.549 38.460 -0.264 0.000 1.045 355 Y HN -0.433 7.749 8.280 -0.164 0.000 0.480 356 H N -5.335 113.671 119.070 -0.106 0.000 1.795 356 H HA -0.143 nan 4.556 nan 0.000 0.115 356 H C -1.123 174.155 175.328 -0.083 0.000 1.198 356 H CA 0.391 56.367 56.048 -0.120 0.000 0.412 356 H CB 1.639 31.274 29.762 -0.211 0.000 0.313 356 H HN -0.105 8.193 8.280 0.029 0.000 0.206 357 F N 1.814 121.584 119.950 -0.300 0.000 2.529 357 F HA -0.100 nan 4.527 nan 0.000 0.365 357 F C -1.220 174.601 175.800 0.036 0.000 1.102 357 F CA 0.147 58.073 58.000 -0.122 0.000 1.271 357 F CB 1.314 40.048 39.000 -0.444 0.000 1.120 357 F HN -0.343 7.669 8.300 -0.480 0.000 0.579 358 K N 8.349 128.154 120.400 -0.992 0.000 2.250 358 K HA 0.108 nan 4.320 nan 0.000 0.280 358 K C -0.817 175.190 176.600 -0.989 0.000 1.098 358 K CA -1.539 54.324 56.287 -0.708 0.000 0.916 358 K CB 0.221 32.529 32.500 -0.321 0.000 1.209 358 K HN 0.051 8.079 8.250 -0.844 -0.285 0.461 359 L N 4.259 125.164 121.223 -0.532 0.000 2.489 359 L HA -0.123 nan 4.340 nan 0.000 0.285 359 L C -0.643 176.179 176.870 -0.080 0.000 1.259 359 L CA 0.912 55.646 54.840 -0.177 0.000 0.828 359 L CB 0.231 42.318 42.059 0.047 0.000 1.094 359 L HN 0.268 8.296 8.230 -0.335 0.000 0.524 360 K N 0.222 120.666 120.400 0.075 0.000 2.588 360 K HA 0.153 nan 4.320 nan 0.000 0.250 360 K C -1.600 175.105 176.600 0.176 0.000 0.972 360 K CA -1.160 55.192 56.287 0.109 0.000 0.821 360 K CB 3.259 35.815 32.500 0.094 0.000 1.249 360 K HN 0.179 8.516 8.250 0.145 0.000 0.442 361 F N 8.357 128.315 119.950 0.013 0.000 2.464 361 F HA -0.042 nan 4.527 nan 0.000 0.353 361 F C -1.934 173.842 175.800 -0.040 0.000 1.191 361 F CA -1.122 56.864 58.000 -0.024 0.000 1.147 361 F CB 0.006 38.998 39.000 -0.014 0.000 1.294 361 F HN -0.019 8.703 8.300 0.281 -0.253 0.583 362 D N 8.326 128.547 120.400 -0.298 0.000 2.364 362 D HA 0.325 nan 4.640 nan 0.000 0.251 362 D C -1.535 174.466 176.300 -0.499 0.000 1.282 362 D CA -3.071 50.693 54.000 -0.394 0.000 0.927 362 D CB 1.230 41.953 40.800 -0.129 0.000 1.267 362 D HN -0.592 7.724 8.370 -0.091 0.000 0.531 363 P HA -0.269 nan 4.420 nan 0.000 0.217 363 P C 0.877 177.554 177.300 -1.038 0.000 1.148 363 P CA 1.942 64.552 63.100 -0.816 0.000 0.834 363 P CB 0.321 31.268 31.700 -1.256 0.000 0.783 364 E N -3.016 116.508 120.200 -1.128 0.000 2.401 364 E HA -0.293 nan 4.350 nan 0.000 0.199 364 E C 1.609 177.856 176.600 -0.588 0.000 1.023 364 E CA 2.087 57.671 56.400 -1.359 0.000 0.859 364 E CB -0.634 28.827 29.700 -0.398 0.000 0.780 364 E HN -0.432 7.619 8.360 -0.686 -0.103 0.523 365 L N -2.727 118.276 121.223 -0.366 0.000 2.156 365 L HA -0.199 nan 4.340 nan 0.000 0.208 365 L C 1.744 178.561 176.870 -0.088 0.000 1.095 365 L CA 2.268 57.021 54.840 -0.145 0.000 0.770 365 L CB 0.066 42.068 42.059 -0.094 0.000 0.914 365 L HN -0.109 7.699 8.230 -0.412 0.175 0.439 366 L N -3.910 117.231 121.223 -0.136 0.000 2.567 366 L HA -0.083 nan 4.340 nan 0.000 0.225 366 L C 2.049 179.087 176.870 0.279 0.000 1.119 366 L CA 0.950 55.769 54.840 -0.036 0.000 0.871 366 L CB 0.080 41.937 42.059 -0.336 0.000 1.036 366 L HN -0.646 7.428 8.230 -0.260 0.000 0.459 367 F N -0.059 119.969 119.950 0.130 0.000 2.120 367 F HA -0.360 nan 4.527 nan 0.000 0.300 367 F C 1.404 177.296 175.800 0.153 0.000 1.095 367 F CA 1.542 59.650 58.000 0.180 0.000 1.249 367 F CB -1.143 37.952 39.000 0.159 0.000 0.995 367 F HN -0.279 7.901 8.300 0.099 0.179 0.480 368 N N -2.353 116.531 118.700 0.307 0.000 2.383 368 N HA -0.083 nan 4.740 nan 0.000 0.192 368 N C -0.101 175.509 175.510 0.168 0.000 1.141 368 N CA 0.041 53.214 53.050 0.205 0.000 0.851 368 N CB 0.119 38.702 38.487 0.161 0.000 0.976 368 N HN 0.178 8.719 8.380 0.268 0.000 0.465 369 Q N -0.427 119.483 119.800 0.185 0.000 2.297 369 Q HA 0.191 nan 4.340 nan 0.000 0.269 369 Q C -1.018 175.099 176.000 0.195 0.000 1.051 369 Q CA -0.941 54.954 55.803 0.154 0.000 0.869 369 Q CB 2.815 31.622 28.738 0.116 0.000 1.346 369 Q HN -0.365 7.847 8.270 0.226 0.193 0.457 370 Q N 1.284 121.181 119.800 0.161 0.000 2.297 370 Q HA -0.017 nan 4.340 nan 0.000 0.267 370 Q C -0.620 175.513 176.000 0.221 0.000 1.006 370 Q CA 0.989 56.888 55.803 0.159 0.000 0.896 370 Q CB 0.605 29.405 28.738 0.104 0.000 1.186 370 Q HN 0.241 8.589 8.270 0.131 0.000 0.392 371 F N 3.568 123.517 119.950 -0.001 0.000 2.665 371 F HA 0.092 nan 4.527 nan 0.000 0.308 371 F C -2.341 173.365 175.800 -0.156 0.000 1.112 371 F CA -0.374 57.545 58.000 -0.135 0.000 0.972 371 F CB 2.739 41.571 39.000 -0.280 0.000 1.295 371 F HN 0.017 8.442 8.300 0.208 0.000 0.440 372 Q N 4.175 123.282 119.800 -1.154 0.000 2.368 372 Q HA 0.193 nan 4.340 nan 0.000 0.263 372 Q C -0.743 174.684 176.000 -0.955 0.000 1.009 372 Q CA -1.507 53.876 55.803 -0.699 0.000 0.818 372 Q CB 0.966 29.446 28.738 -0.430 0.000 1.239 372 Q HN 0.291 7.580 8.270 -1.634 0.000 0.464 373 Y N 4.962 125.064 120.300 -0.330 0.000 2.851 373 Y HA -0.071 nan 4.550 nan 0.000 0.369 373 Y C -0.921 174.900 175.900 -0.132 0.000 1.226 373 Y CA 0.315 58.349 58.100 -0.110 0.000 1.949 373 Y CB -1.692 36.830 38.460 0.104 0.000 2.059 373 Y HN 0.327 8.706 8.280 0.166 0.000 0.420 374 Q N 0.638 120.348 119.800 -0.150 0.000 2.391 374 Q HA 0.242 nan 4.340 nan 0.000 0.279 374 Q C -2.509 173.381 176.000 -0.184 0.000 1.028 374 Q CA -1.113 54.612 55.803 -0.129 0.000 0.836 374 Q CB 3.881 32.548 28.738 -0.119 0.000 1.414 374 Q HN -0.056 7.952 8.270 -0.336 0.060 0.397 375 N N 2.416 121.016 118.700 -0.167 0.000 2.494 375 N HA 0.289 nan 4.740 nan 0.000 0.270 375 N C -2.324 173.074 175.510 -0.186 0.000 1.285 375 N CA 0.173 53.110 53.050 -0.190 0.000 0.812 375 N CB 3.286 41.654 38.487 -0.197 0.000 1.557 375 N HN 0.228 8.518 8.380 -0.149 0.000 0.487 376 R N 2.375 122.769 120.500 -0.176 0.000 2.549 376 R HA 0.353 nan 4.340 nan 0.000 0.291 376 R C -1.650 174.667 176.300 0.028 0.000 1.164 376 R CA -0.726 55.318 56.100 -0.093 0.000 0.973 376 R CB 1.983 32.124 30.300 -0.265 0.000 1.210 376 R HN 0.308 8.454 8.270 -0.207 0.000 0.422 377 I N 1.648 122.335 120.570 0.195 0.000 2.618 377 I HA 0.130 nan 4.170 nan 0.000 0.284 377 I C -1.144 175.084 176.117 0.186 0.000 1.146 377 I CA 0.077 61.394 61.300 0.028 0.000 1.425 377 I CB 1.459 39.452 38.000 -0.012 0.000 1.383 377 I HN -0.084 8.346 8.210 0.367 0.000 0.562 378 A N 6.736 129.574 122.820 0.030 0.000 2.257 378 A HA 0.380 nan 4.320 nan 0.000 0.289 378 A C 0.923 178.572 177.584 0.109 0.000 1.095 378 A CA -0.611 51.463 52.037 0.062 0.000 0.836 378 A CB 1.424 20.334 19.000 -0.149 0.000 1.111 378 A HN -0.016 8.046 8.150 -0.148 0.000 0.497 379 S N 0.295 116.002 115.700 0.011 0.000 2.425 379 S HA -0.219 nan 4.470 nan 0.000 0.225 379 S C 2.124 176.751 174.600 0.045 0.000 1.024 379 S CA 3.541 61.627 58.200 -0.190 0.000 0.951 379 S CB -0.055 63.100 63.200 -0.074 0.000 0.796 379 S HN 0.346 8.688 8.310 0.054 0.000 0.498 380 E N 1.765 122.080 120.200 0.193 0.000 2.031 380 E HA -0.306 nan 4.350 nan 0.000 0.193 380 E C 1.899 178.694 176.600 0.326 0.000 0.994 380 E CA 2.655 59.226 56.400 0.285 0.000 0.800 380 E CB -1.298 28.628 29.700 0.376 0.000 0.752 380 E HN 0.212 8.667 8.360 0.158 0.000 0.447 381 F N -0.171 120.023 119.950 0.408 0.000 2.120 381 F HA -0.317 nan 4.527 nan 0.000 0.300 381 F C 1.236 177.187 175.800 0.252 0.000 1.095 381 F CA 3.043 61.348 58.000 0.509 0.000 1.249 381 F CB -0.041 39.334 39.000 0.626 0.000 0.995 381 F HN -0.163 8.587 8.300 0.750 0.000 0.480 382 N N -1.911 116.857 118.700 0.113 0.000 2.062 382 N HA -0.367 nan 4.740 nan 0.000 0.191 382 N C 1.935 177.070 175.510 -0.625 0.000 1.042 382 N CA 3.179 55.866 53.050 -0.605 0.000 0.845 382 N CB 0.536 38.833 38.487 -0.316 0.000 1.024 382 N HN -0.622 7.826 8.380 0.269 0.094 0.424 383 T N 2.748 117.016 114.554 -0.477 0.000 2.555 383 T HA -0.300 nan 4.350 nan 0.000 0.264 383 T C 2.121 176.467 174.700 -0.591 0.000 1.083 383 T CA 4.727 66.363 62.100 -0.774 0.000 1.179 383 T CB -0.193 68.445 68.868 -0.383 0.000 0.863 383 T HN 0.182 8.166 8.240 -0.249 0.106 0.412 384 L N -1.670 119.411 121.223 -0.236 0.000 2.450 384 L HA -0.258 nan 4.340 nan 0.000 0.225 384 L C 0.537 177.294 176.870 -0.188 0.000 1.145 384 L CA 2.771 57.530 54.840 -0.135 0.000 0.801 384 L CB -1.004 40.987 42.059 -0.114 0.000 0.924 384 L HN 0.114 8.257 8.230 -0.145 0.000 0.447 385 Y N -2.085 117.893 120.300 -0.537 0.000 2.468 385 Y HA -0.042 nan 4.550 nan 0.000 0.268 385 Y C -0.050 175.446 175.900 -0.673 0.000 1.177 385 Y CA 0.231 57.774 58.100 -0.927 0.000 1.265 385 Y CB 0.372 38.165 38.460 -1.111 0.000 1.103 385 Y HN -0.658 7.194 8.280 -0.391 0.193 0.522 386 H N 1.666 120.603 119.070 -0.222 0.000 3.330 386 H HA -0.080 nan 4.556 nan 0.000 0.260 386 H C 0.013 175.427 175.328 0.144 0.000 1.439 386 H CA -0.559 55.472 56.048 -0.028 0.000 1.540 386 H CB -2.305 27.617 29.762 0.266 0.000 1.698 386 H HN 0.133 8.231 8.280 -0.009 0.177 0.516 387 W N 3.474 124.705 121.300 -0.114 0.000 2.960 387 W HA 0.175 nan 4.660 nan 0.000 0.442 387 W C 0.307 176.743 176.519 -0.138 0.000 0.774 387 W CA -2.545 54.746 57.345 -0.089 0.000 2.207 387 W CB -2.157 27.286 29.460 -0.029 0.000 1.159 387 W HN -0.188 7.928 8.180 -0.077 0.018 0.845 388 H N 2.136 121.394 119.070 0.314 0.000 2.422 388 H HA -0.287 nan 4.556 nan 0.000 0.298 388 H C -0.426 174.994 175.328 0.155 0.000 1.098 388 H CA 5.995 62.179 56.048 0.226 0.000 1.315 388 H CB -2.140 27.741 29.762 0.199 0.000 1.382 388 H HN 0.334 8.495 8.280 -0.056 0.086 0.523 389 P HA -0.239 nan 4.420 nan 0.000 0.226 389 P C -0.150 177.119 177.300 -0.052 0.000 1.146 389 P CA 2.207 65.324 63.100 0.027 0.000 0.773 389 P CB -0.685 30.999 31.700 -0.027 0.000 0.772 390 L N -4.478 116.758 121.223 0.022 0.000 2.217 390 L HA -0.226 nan 4.340 nan 0.000 0.211 390 L C 0.451 177.311 176.870 -0.017 0.000 1.107 390 L CA 1.027 55.853 54.840 -0.023 0.000 0.783 390 L CB 0.318 42.424 42.059 0.079 0.000 0.919 390 L HN -0.188 7.917 8.230 0.106 0.188 0.442 391 L N -0.687 120.583 121.223 0.079 0.000 2.513 391 L HA -0.074 nan 4.340 nan 0.000 0.272 391 L C -1.527 175.444 176.870 0.169 0.000 1.187 391 L CA -0.685 54.255 54.840 0.166 0.000 0.895 391 L CB -1.120 41.187 42.059 0.413 0.000 1.147 391 L HN -0.075 8.072 8.230 0.128 0.159 0.483 392 P HA 0.001 nan 4.420 nan 0.000 0.277 392 P C -1.499 175.822 177.300 0.036 0.000 1.271 392 P CA -0.783 62.439 63.100 0.202 0.000 0.795 392 P CB 0.585 32.192 31.700 -0.155 0.000 1.101 393 D N -1.528 118.904 120.400 0.053 0.000 2.346 393 D HA 0.012 nan 4.640 nan 0.000 0.206 393 D C -0.902 175.326 176.300 -0.120 0.000 1.001 393 D CA 1.595 55.645 54.000 0.084 0.000 0.871 393 D CB 1.238 42.090 40.800 0.086 0.000 0.943 393 D HN 0.351 8.758 8.370 0.062 0.000 0.518 394 T N -5.777 108.532 114.554 -0.408 0.000 2.916 394 T HA 0.414 nan 4.350 nan 0.000 0.298 394 T C -1.013 173.239 174.700 -0.747 0.000 1.031 394 T CA -1.688 60.139 62.100 -0.455 0.000 0.993 394 T CB 2.580 71.308 68.868 -0.232 0.000 1.045 394 T HN -0.710 7.239 8.240 -0.422 0.038 0.454 395 F N 3.497 123.301 119.950 -0.243 0.000 2.309 395 F HA 0.127 nan 4.527 nan 0.000 0.366 395 F C -0.909 174.781 175.800 -0.184 0.000 1.104 395 F CA -1.306 56.416 58.000 -0.463 0.000 1.179 395 F CB 0.214 38.436 39.000 -1.296 0.000 1.437 395 F HN 0.900 8.912 8.300 -0.296 0.110 0.528 396 N N 4.849 123.512 118.700 -0.062 0.000 2.602 396 N HA 0.082 nan 4.740 nan 0.000 0.238 396 N C -0.891 174.626 175.510 0.011 0.000 1.084 396 N CA -0.491 52.545 53.050 -0.024 0.000 0.952 396 N CB -0.080 38.347 38.487 -0.101 0.000 1.244 396 N HN -0.368 8.059 8.380 -0.136 -0.128 0.512 397 I N 5.741 126.320 120.570 0.015 0.000 2.269 397 I HA -0.128 nan 4.170 nan 0.000 0.293 397 I C -1.100 174.879 176.117 -0.231 0.000 1.106 397 I CA -1.499 59.681 61.300 -0.200 0.000 1.248 397 I CB 0.088 37.836 38.000 -0.419 0.000 1.444 397 I HN -0.333 7.970 8.210 0.154 0.000 0.497 398 E N 6.912 127.012 120.200 -0.165 0.000 3.483 398 E HA -0.376 nan 4.350 nan 0.000 0.319 398 E C -0.152 176.365 176.600 -0.138 0.000 0.731 398 E CA 1.650 57.972 56.400 -0.129 0.000 1.104 398 E CB -0.235 29.405 29.700 -0.100 0.000 0.841 398 E HN -0.116 8.165 8.360 -0.131 0.000 0.518 399 D N 1.916 122.258 120.400 -0.096 0.000 2.988 399 D HA -0.416 nan 4.640 nan 0.000 0.221 399 D C -2.051 174.205 176.300 -0.073 0.000 1.122 399 D CA 1.336 55.294 54.000 -0.071 0.000 0.821 399 D CB -0.181 40.591 40.800 -0.047 0.000 1.098 399 D HN 0.598 8.915 8.370 -0.089 0.000 0.433 400 Q N -4.839 114.894 119.800 -0.111 0.000 2.964 400 Q HA 0.016 nan 4.340 nan 0.000 0.215 400 Q C -3.139 172.726 176.000 -0.224 0.000 1.019 400 Q CA 0.374 56.065 55.803 -0.187 0.000 0.990 400 Q CB 2.768 31.392 28.738 -0.190 0.000 2.131 400 Q HN -0.433 7.739 8.270 -0.111 0.032 0.522 401 E N 1.562 121.573 120.200 -0.316 0.000 2.234 401 E HA 0.405 nan 4.350 nan 0.000 0.266 401 E C -1.315 175.121 176.600 -0.273 0.000 0.877 401 E CA -1.345 54.932 56.400 -0.205 0.000 0.758 401 E CB 2.774 32.387 29.700 -0.145 0.000 1.170 401 E HN 0.136 8.286 8.360 -0.349 0.000 0.415 402 Y N 2.156 122.488 120.300 0.053 0.000 2.487 402 Y HA 0.223 nan 4.550 nan 0.000 0.337 402 Y C -0.041 175.956 175.900 0.162 0.000 1.076 402 Y CA -1.410 56.782 58.100 0.153 0.000 1.115 402 Y CB 2.735 41.371 38.460 0.293 0.000 1.235 402 Y HN 0.835 9.135 8.280 0.248 0.129 0.468 403 S N 0.724 116.653 115.700 0.382 0.000 2.652 403 S HA 0.246 nan 4.470 nan 0.000 0.270 403 S C 0.943 175.866 174.600 0.540 0.000 1.243 403 S CA -0.881 57.539 58.200 0.367 0.000 0.999 403 S CB 1.658 65.029 63.200 0.285 0.000 0.973 403 S HN 0.287 9.166 8.310 0.394 -0.332 0.544 404 F N 3.236 123.419 119.950 0.389 0.000 2.065 404 F HA -0.455 nan 4.527 nan 0.000 0.298 404 F C 1.557 177.520 175.800 0.273 0.000 1.112 404 F CA 5.290 63.566 58.000 0.461 0.000 1.212 404 F CB -0.748 38.456 39.000 0.340 0.000 0.975 404 F HN 0.853 9.653 8.300 0.834 0.000 0.476 405 K N -2.172 118.475 120.400 0.411 0.000 2.189 405 K HA -0.276 nan 4.320 nan 0.000 0.207 405 K C 1.361 178.098 176.600 0.228 0.000 1.046 405 K CA 2.867 59.312 56.287 0.263 0.000 0.928 405 K CB -0.994 31.637 32.500 0.218 0.000 0.720 405 K HN 0.395 8.909 8.250 0.441 0.000 0.458 406 Q N -3.216 116.755 119.800 0.286 0.000 2.226 406 Q HA -0.163 nan 4.340 nan 0.000 0.199 406 Q C 1.292 177.421 176.000 0.216 0.000 0.945 406 Q CA 1.849 57.817 55.803 0.276 0.000 0.861 406 Q CB 1.076 30.061 28.738 0.411 0.000 0.953 406 Q HN -0.455 7.858 8.270 0.351 0.168 0.490 407 F N -0.988 118.992 119.950 0.049 0.000 2.146 407 F HA -0.214 nan 4.527 nan 0.000 0.298 407 F C -0.553 175.107 175.800 -0.233 0.000 1.096 407 F CA 2.493 60.409 58.000 -0.139 0.000 1.275 407 F CB 1.434 40.284 39.000 -0.249 0.000 1.008 407 F HN -0.318 8.261 8.300 0.465 0.000 0.480 408 L N -1.553 119.544 121.223 -0.209 0.000 2.477 408 L HA -0.288 nan 4.340 nan 0.000 0.272 408 L C -0.884 175.634 176.870 -0.587 0.000 1.157 408 L CA 0.964 55.448 54.840 -0.592 0.000 0.889 408 L CB -0.764 40.802 42.059 -0.821 0.000 1.158 408 L HN -0.342 7.876 8.230 -0.020 0.000 0.473 409 Y N -2.498 117.764 120.300 -0.065 0.000 3.689 409 Y HA -0.462 nan 4.550 nan 0.000 0.221 409 Y C -1.218 174.646 175.900 -0.059 0.000 1.247 409 Y CA 0.086 58.176 58.100 -0.016 0.000 1.671 409 Y CB -3.168 35.326 38.460 0.057 0.000 1.521 409 Y HN -0.175 7.771 8.280 -0.399 0.094 0.632 410 N N 0.171 118.813 118.700 -0.096 0.000 2.426 410 N HA 0.089 nan 4.740 nan 0.000 0.275 410 N C -0.282 175.121 175.510 -0.180 0.000 1.019 410 N CA -0.858 52.117 53.050 -0.127 0.000 0.941 410 N CB 1.942 40.321 38.487 -0.180 0.000 1.123 410 N HN -0.881 7.353 8.380 -0.242 0.000 0.486 411 N N 4.922 123.514 118.700 -0.180 0.000 2.131 411 N HA -0.131 nan 4.740 nan 0.000 0.190 411 N C 1.893 177.276 175.510 -0.212 0.000 1.055 411 N CA 2.635 55.526 53.050 -0.264 0.000 0.853 411 N CB 0.252 38.562 38.487 -0.295 0.000 1.035 411 N HN 0.435 8.737 8.380 -0.130 0.000 0.440 412 S N 0.322 115.922 115.700 -0.166 0.000 2.419 412 S HA -0.213 nan 4.470 nan 0.000 0.235 412 S C 2.068 176.572 174.600 -0.162 0.000 1.019 412 S CA 2.896 61.009 58.200 -0.145 0.000 0.982 412 S CB -0.352 62.787 63.200 -0.101 0.000 0.789 412 S HN -0.094 8.169 8.310 -0.144 -0.040 0.490 413 I N 1.396 121.859 120.570 -0.179 0.000 2.068 413 I HA -0.559 nan 4.170 nan 0.000 0.238 413 I C 1.093 177.191 176.117 -0.033 0.000 1.046 413 I CA 3.831 65.011 61.300 -0.199 0.000 1.306 413 I CB -0.342 37.515 38.000 -0.238 0.000 1.023 413 I HN -0.783 7.501 8.210 -0.176 -0.179 0.399 414 L N -1.192 119.996 121.223 -0.057 0.000 1.994 414 L HA -0.299 nan 4.340 nan 0.000 0.208 414 L C 1.823 178.606 176.870 -0.146 0.000 1.071 414 L CA 3.432 58.151 54.840 -0.201 0.000 0.745 414 L CB -0.486 41.346 42.059 -0.379 0.000 0.892 414 L HN -0.648 7.500 8.230 -0.137 0.000 0.431 415 L N -2.188 118.914 121.223 -0.201 0.000 2.079 415 L HA -0.433 nan 4.340 nan 0.000 0.210 415 L C 2.143 178.951 176.870 -0.104 0.000 1.081 415 L CA 2.912 57.603 54.840 -0.247 0.000 0.752 415 L CB -0.620 41.281 42.059 -0.264 0.000 0.896 415 L HN -0.633 7.479 8.230 -0.196 0.000 0.433 416 E N -1.364 118.782 120.200 -0.090 0.000 2.016 416 E HA -0.154 nan 4.350 nan 0.000 0.190 416 E C 2.065 178.698 176.600 0.056 0.000 0.985 416 E CA 2.071 58.436 56.400 -0.058 0.000 0.802 416 E CB -0.014 29.597 29.700 -0.149 0.000 0.762 416 E HN 0.243 8.390 8.360 -0.121 0.141 0.448 417 H N -2.390 116.770 119.070 0.149 0.000 2.387 417 H HA -0.204 nan 4.556 nan 0.000 0.299 417 H C 0.526 175.955 175.328 0.167 0.000 1.090 417 H CA 1.087 57.249 56.048 0.191 0.000 1.332 417 H CB 0.958 30.905 29.762 0.308 0.000 1.386 417 H HN -0.180 8.071 8.280 -0.048 0.000 0.516 418 G N -3.286 105.673 108.800 0.265 0.000 2.699 418 G HA2 -0.297 nan 3.960 nan 0.000 0.686 418 G HA3 -0.297 nan 3.960 nan 0.000 0.686 418 G C -1.090 173.890 174.900 0.133 0.000 1.301 418 G CA -0.693 44.507 45.100 0.166 0.000 0.816 418 G HN -0.428 7.992 8.290 0.217 0.000 0.595 419 L N 0.318 121.558 121.223 0.029 0.000 2.027 419 L HA -0.180 nan 4.340 nan 0.000 0.206 419 L C 1.814 178.694 176.870 0.017 0.000 1.074 419 L CA 2.861 57.669 54.840 -0.055 0.000 0.745 419 L CB 0.020 42.008 42.059 -0.118 0.000 0.898 419 L HN 0.734 8.989 8.230 0.040 0.000 0.433 420 T N -4.180 110.383 114.554 0.015 0.000 2.759 420 T HA -0.430 nan 4.350 nan 0.000 0.269 420 T C 1.167 175.884 174.700 0.029 0.000 1.042 420 T CA 3.280 65.387 62.100 0.012 0.000 1.140 420 T CB -0.581 68.292 68.868 0.009 0.000 0.864 420 T HN 0.047 8.292 8.240 0.009 0.000 0.455 421 Q N 0.890 120.733 119.800 0.073 0.000 3.006 421 Q HA -0.001 nan 4.340 nan 0.000 0.260 421 Q C -1.441 174.618 176.000 0.098 0.000 1.356 421 Q CA -0.888 54.939 55.803 0.040 0.000 1.070 421 Q CB -1.762 26.997 28.738 0.035 0.000 1.507 421 Q HN 0.027 8.352 8.270 0.101 0.005 0.568 422 F N -0.744 119.040 119.950 -0.277 0.000 1.905 422 F HA -0.087 nan 4.527 nan 0.000 0.363 422 F C 0.296 175.758 175.800 -0.564 0.000 0.981 422 F CA 2.018 59.673 58.000 -0.574 0.000 1.118 422 F CB 1.785 40.520 39.000 -0.441 0.000 1.472 422 F HN -0.317 7.953 8.300 -0.038 0.007 0.473 423 V N 0.905 120.777 119.914 -0.069 0.000 2.295 423 V HA -0.492 nan 4.120 nan 0.000 0.246 423 V C 1.766 177.861 176.094 0.001 0.000 1.049 423 V CA 5.359 67.643 62.300 -0.027 0.000 1.024 423 V CB -0.754 31.054 31.823 -0.025 0.000 0.648 423 V HN 0.480 8.676 8.190 0.010 0.000 0.447 424 E N -0.264 119.926 120.200 -0.017 0.000 2.031 424 E HA -0.431 nan 4.350 nan 0.000 0.193 424 E C 2.407 179.016 176.600 0.016 0.000 0.994 424 E CA 3.504 59.913 56.400 0.015 0.000 0.800 424 E CB -0.397 29.306 29.700 0.005 0.000 0.752 424 E HN 0.297 8.641 8.360 -0.028 0.000 0.447 425 S N 0.330 115.986 115.700 -0.074 0.000 2.372 425 S HA -0.265 nan 4.470 nan 0.000 0.227 425 S C 2.143 176.871 174.600 0.214 0.000 1.044 425 S CA 3.462 61.643 58.200 -0.030 0.000 1.050 425 S CB -0.233 62.839 63.200 -0.214 0.000 0.901 425 S HN -0.406 8.015 8.310 -0.147 -0.198 0.447 426 F N -1.053 118.909 119.950 0.020 0.000 2.325 426 F HA 0.010 nan 4.527 nan 0.000 0.299 426 F C 1.970 177.818 175.800 0.080 0.000 1.090 426 F CA 0.213 58.259 58.000 0.077 0.000 1.392 426 F CB -0.950 38.148 39.000 0.164 0.000 1.053 426 F HN 0.113 8.305 8.300 -0.001 0.107 0.521 427 T N 1.015 115.714 114.554 0.241 0.000 2.788 427 T HA -0.253 nan 4.350 nan 0.000 0.268 427 T C 0.864 175.657 174.700 0.156 0.000 1.044 427 T CA 3.865 66.065 62.100 0.166 0.000 1.139 427 T CB -0.213 68.745 68.868 0.150 0.000 0.867 427 T HN -0.180 8.091 8.240 0.205 0.092 0.454 428 R N 2.171 122.753 120.500 0.136 0.000 2.471 428 R HA 0.231 nan 4.340 nan 0.000 0.292 428 R C -2.415 173.922 176.300 0.061 0.000 1.192 428 R CA -1.126 55.025 56.100 0.084 0.000 1.257 428 R CB -0.129 30.206 30.300 0.058 0.000 1.130 428 R HN -0.632 7.708 8.270 0.145 0.017 0.558 429 Q N 1.793 121.618 119.800 0.042 0.000 2.997 429 Q HA 0.027 nan 4.340 nan 0.000 0.205 429 Q C -2.139 173.849 176.000 -0.022 0.000 0.797 429 Q CA 0.092 55.889 55.803 -0.010 0.000 1.218 429 Q CB 2.131 30.871 28.738 0.003 0.000 1.630 429 Q HN -0.453 7.848 8.270 0.052 0.000 0.582 430 I N 4.027 124.577 120.570 -0.032 0.000 2.710 430 I HA -0.036 nan 4.170 nan 0.000 0.286 430 I C -0.706 175.491 176.117 0.134 0.000 1.181 430 I CA -0.005 61.311 61.300 0.027 0.000 1.430 430 I CB -0.078 37.951 38.000 0.048 0.000 1.367 430 I HN -0.153 8.018 8.210 -0.066 0.000 0.577 431 A N 7.026 129.905 122.820 0.100 0.000 2.294 431 A HA 0.546 nan 4.320 nan 0.000 0.330 431 A C -0.734 176.847 177.584 -0.005 0.000 1.133 431 A CA -1.884 50.210 52.037 0.096 0.000 0.836 431 A CB 2.757 21.721 19.000 -0.059 0.000 1.190 431 A HN 0.454 8.609 8.150 0.008 0.000 0.492 432 G N -1.247 107.386 108.800 -0.280 0.000 2.554 432 G HA2 -0.131 nan 3.960 nan 0.000 0.238 432 G HA3 -0.131 nan 3.960 nan 0.000 0.238 432 G C -1.294 173.383 174.900 -0.371 0.000 1.259 432 G CA -0.189 44.544 45.100 -0.611 0.000 0.843 432 G HN 0.021 8.105 8.290 -0.191 0.092 0.582 433 R N 1.800 122.081 120.500 -0.365 0.000 2.539 433 R HA 0.018 nan 4.340 nan 0.000 0.275 433 R C -0.038 176.092 176.300 -0.282 0.000 1.077 433 R CA 0.503 56.417 56.100 -0.311 0.000 1.097 433 R CB 0.815 30.956 30.300 -0.263 0.000 1.018 433 R HN -0.324 7.587 8.270 -0.424 0.104 0.483 434 V N 3.359 123.103 119.914 -0.283 0.000 2.326 434 V HA 0.022 nan 4.120 nan 0.000 0.237 434 V C 0.668 176.672 176.094 -0.149 0.000 1.044 434 V CA 3.014 65.190 62.300 -0.206 0.000 1.035 434 V CB 0.608 32.298 31.823 -0.221 0.000 0.675 434 V HN -0.082 7.895 8.190 -0.354 0.000 0.470 435 A N -1.118 121.632 122.820 -0.118 0.000 3.157 435 A HA 0.274 nan 4.320 nan 0.000 0.276 435 A C -0.636 176.881 177.584 -0.112 0.000 1.524 435 A CA -0.460 51.520 52.037 -0.095 0.000 1.236 435 A CB -1.504 17.477 19.000 -0.031 0.000 1.173 435 A HN -0.113 7.963 8.150 -0.123 0.000 0.595 436 G N -0.211 108.513 108.800 -0.126 0.000 2.808 436 G HA2 0.092 nan 3.960 nan 0.000 0.210 436 G HA3 0.092 nan 3.960 nan 0.000 0.210 436 G C -1.114 173.725 174.900 -0.101 0.000 1.177 436 G CA -0.143 44.886 45.100 -0.118 0.000 0.853 436 G HN -0.559 7.594 8.290 -0.133 0.057 0.625 437 G N -0.928 107.810 108.800 -0.102 0.000 2.343 437 G HA2 -0.131 nan 3.960 nan 0.000 0.298 437 G HA3 -0.131 nan 3.960 nan 0.000 0.298 437 G C -0.905 173.947 174.900 -0.080 0.000 1.644 437 G CA 0.063 45.113 45.100 -0.085 0.000 0.958 437 G HN -0.810 7.411 8.290 -0.115 0.000 0.702 438 R N -1.114 119.348 120.500 -0.063 0.000 3.225 438 R HA -0.581 nan 4.340 nan 0.000 0.245 438 R C -1.492 174.767 176.300 -0.067 0.000 0.928 438 R CA 0.661 56.730 56.100 -0.052 0.000 0.632 438 R CB -1.843 28.431 30.300 -0.043 0.000 1.038 438 R HN 0.116 8.352 8.270 -0.058 0.000 0.461 439 N N -3.224 115.427 118.700 -0.082 0.000 2.291 439 N HA 0.135 nan 4.740 nan 0.000 0.244 439 N C -0.422 175.038 175.510 -0.083 0.000 1.216 439 N CA -0.788 52.192 53.050 -0.116 0.000 0.879 439 N CB 0.854 39.227 38.487 -0.189 0.000 1.167 439 N HN -0.353 7.982 8.380 -0.074 0.000 0.515 440 V N 2.952 122.848 119.914 -0.031 0.000 2.432 440 V HA 0.228 nan 4.120 nan 0.000 0.271 440 V C -1.944 174.144 176.094 -0.011 0.000 1.046 440 V CA -2.735 59.574 62.300 0.015 0.000 0.945 440 V CB -0.029 31.823 31.823 0.050 0.000 0.992 440 V HN -0.536 7.636 8.190 -0.030 0.000 0.471 441 P HA -0.083 nan 4.420 nan 0.000 0.258 441 P C -0.130 177.081 177.300 -0.149 0.000 1.172 441 P CA 0.851 63.902 63.100 -0.081 0.000 0.762 441 P CB 0.191 31.838 31.700 -0.088 0.000 0.764 442 I N 3.215 123.702 120.570 -0.138 0.000 2.761 442 I HA -0.517 nan 4.170 nan 0.000 0.266 442 I C 0.412 176.429 176.117 -0.166 0.000 1.239 442 I CA 2.894 64.123 61.300 -0.118 0.000 1.451 442 I CB -0.606 37.347 38.000 -0.079 0.000 1.096 442 I HN 0.678 8.822 8.210 -0.110 0.000 0.465 443 A N -1.401 121.233 122.820 -0.311 0.000 1.855 443 A HA -0.074 nan 4.320 nan 0.000 0.213 443 A C 1.397 178.850 177.584 -0.218 0.000 1.195 443 A CA 1.930 53.763 52.037 -0.339 0.000 0.610 443 A CB 0.103 18.647 19.000 -0.760 0.000 0.837 443 A HN -0.302 7.533 8.150 -0.415 0.066 0.444 444 V N 0.164 119.938 119.914 -0.234 0.000 3.602 444 V HA -0.184 nan 4.120 nan 0.000 0.289 444 V C 1.055 177.078 176.094 -0.119 0.000 1.265 444 V CA 1.244 63.464 62.300 -0.133 0.000 1.202 444 V CB -2.219 29.575 31.823 -0.048 0.000 1.012 444 V HN -0.346 7.638 8.190 -0.343 0.000 0.431 445 Q N 1.423 121.168 119.800 -0.093 0.000 2.170 445 Q HA -0.331 nan 4.340 nan 0.000 0.203 445 Q C 1.554 177.525 176.000 -0.048 0.000 0.976 445 Q CA 2.974 58.746 55.803 -0.051 0.000 0.858 445 Q CB -1.081 27.631 28.738 -0.045 0.000 0.907 445 Q HN -0.076 7.915 8.270 -0.113 0.211 0.433 446 A N -0.436 122.346 122.820 -0.063 0.000 1.877 446 A HA -0.262 nan 4.320 nan 0.000 0.216 446 A C 1.773 179.312 177.584 -0.076 0.000 1.186 446 A CA 3.177 55.180 52.037 -0.056 0.000 0.620 446 A CB -0.917 18.055 19.000 -0.046 0.000 0.822 446 A HN -0.512 7.571 8.150 -0.071 0.024 0.443 447 V N -0.523 119.317 119.914 -0.124 0.000 2.261 447 V HA -0.408 nan 4.120 nan 0.000 0.246 447 V C 2.294 178.314 176.094 -0.124 0.000 1.047 447 V CA 3.904 66.097 62.300 -0.180 0.000 1.015 447 V CB -1.072 30.507 31.823 -0.406 0.000 0.642 447 V HN -0.212 7.897 8.190 -0.134 0.000 0.446 448 A N -2.169 120.608 122.820 -0.071 0.000 2.032 448 A HA -0.383 nan 4.320 nan 0.000 0.221 448 A C 1.689 179.303 177.584 0.049 0.000 1.165 448 A CA 3.136 55.232 52.037 0.097 0.000 0.645 448 A CB -0.862 18.229 19.000 0.151 0.000 0.807 448 A HN -0.082 7.998 8.150 -0.117 0.000 0.453 449 K N -1.137 119.258 120.400 -0.009 0.000 1.975 449 K HA -0.284 nan 4.320 nan 0.000 0.210 449 K C 1.849 178.408 176.600 -0.069 0.000 1.041 449 K CA 2.557 58.834 56.287 -0.017 0.000 0.942 449 K CB -0.015 32.473 32.500 -0.021 0.000 0.729 449 K HN -0.363 7.732 8.250 -0.027 0.139 0.439 450 A N -0.882 121.889 122.820 -0.082 0.000 1.882 450 A HA -0.454 nan 4.320 nan 0.000 0.220 450 A C 2.184 179.672 177.584 -0.161 0.000 1.253 450 A CA 3.161 55.140 52.037 -0.097 0.000 0.664 450 A CB -0.936 18.011 19.000 -0.088 0.000 0.838 450 A HN -0.085 8.023 8.150 -0.070 0.000 0.460 451 S N -1.343 114.214 115.700 -0.238 0.000 2.390 451 S HA -0.479 nan 4.470 nan 0.000 0.234 451 S C 2.240 176.478 174.600 -0.603 0.000 1.063 451 S CA 4.237 62.123 58.200 -0.524 0.000 1.108 451 S CB -0.587 62.038 63.200 -0.958 0.000 0.975 451 S HN -0.058 8.148 8.310 -0.173 0.000 0.442 452 I N 0.094 120.421 120.570 -0.405 0.000 2.113 452 I HA -0.481 nan 4.170 nan 0.000 0.238 452 I C 1.228 177.274 176.117 -0.118 0.000 1.070 452 I CA 3.413 64.623 61.300 -0.150 0.000 1.332 452 I CB -0.236 37.793 38.000 0.049 0.000 1.044 452 I HN -0.009 7.927 8.210 -0.309 0.089 0.402 453 D N -2.828 117.519 120.400 -0.089 0.000 2.363 453 D HA -0.209 nan 4.640 nan 0.000 0.220 453 D C 2.428 178.686 176.300 -0.070 0.000 0.994 453 D CA 1.990 55.955 54.000 -0.059 0.000 0.890 453 D CB -0.855 39.926 40.800 -0.031 0.000 0.906 453 D HN -0.503 7.813 8.370 -0.089 0.000 0.530 454 Q N 0.856 120.587 119.800 -0.115 0.000 2.107 454 Q HA -0.110 nan 4.340 nan 0.000 0.195 454 Q C 2.027 177.943 176.000 -0.140 0.000 0.964 454 Q CA 3.122 58.870 55.803 -0.092 0.000 0.833 454 Q CB 0.562 29.247 28.738 -0.088 0.000 0.910 454 Q HN 0.346 8.456 8.270 -0.159 0.065 0.465 455 S N 0.389 115.908 115.700 -0.302 0.000 2.469 455 S HA -0.330 nan 4.470 nan 0.000 0.238 455 S C 1.765 176.179 174.600 -0.310 0.000 0.998 455 S CA 4.039 61.900 58.200 -0.565 0.000 0.957 455 S CB -0.490 62.152 63.200 -0.930 0.000 0.764 455 S HN -0.049 8.062 8.310 -0.332 0.000 0.514 456 R N -0.307 120.111 120.500 -0.136 0.000 2.100 456 R HA -0.144 nan 4.340 nan 0.000 0.220 456 R C 2.620 178.934 176.300 0.023 0.000 1.091 456 R CA 3.201 59.287 56.100 -0.022 0.000 0.986 456 R CB -0.105 30.188 30.300 -0.012 0.000 0.888 456 R HN -0.597 7.504 8.270 -0.147 0.081 0.444 457 E N 1.540 121.747 120.200 0.012 0.000 2.051 457 E HA -0.272 nan 4.350 nan 0.000 0.192 457 E C 1.346 177.992 176.600 0.076 0.000 0.991 457 E CA 2.507 58.933 56.400 0.044 0.000 0.799 457 E CB -0.297 29.428 29.700 0.043 0.000 0.748 457 E HN -0.753 7.485 8.360 -0.022 0.109 0.449 458 M N -3.887 115.771 119.600 0.096 0.000 2.776 458 M HA -0.137 nan 4.480 nan 0.000 0.233 458 M C -1.362 175.052 176.300 0.190 0.000 1.078 458 M CA 0.441 55.833 55.300 0.152 0.000 1.058 458 M CB -0.047 32.710 32.600 0.262 0.000 1.611 458 M HN -0.429 7.897 8.290 0.060 0.000 0.541 459 K N -4.553 115.940 120.400 0.155 0.000 3.156 459 K HA -0.518 nan 4.320 nan 0.000 0.266 459 K C -0.156 176.569 176.600 0.208 0.000 0.966 459 K CA 1.039 57.408 56.287 0.138 0.000 0.719 459 K CB -2.814 29.726 32.500 0.065 0.000 1.333 459 K HN -0.576 7.520 8.250 0.116 0.224 0.468 460 Y N -0.846 119.477 120.300 0.038 0.000 2.279 460 Y HA -0.276 nan 4.550 nan 0.000 0.350 460 Y C 0.081 176.058 175.900 0.129 0.000 1.288 460 Y CA 0.733 58.885 58.100 0.087 0.000 1.547 460 Y CB 0.539 39.022 38.460 0.039 0.000 1.381 460 Y HN -0.603 7.926 8.280 0.415 0.000 0.630 461 Q N -1.345 118.714 119.800 0.431 0.000 2.240 461 Q HA 0.249 nan 4.340 nan 0.000 0.260 461 Q C -0.909 175.298 176.000 0.345 0.000 1.018 461 Q CA -2.017 53.975 55.803 0.315 0.000 0.898 461 Q CB 2.848 31.695 28.738 0.182 0.000 1.301 461 Q HN -0.031 8.609 8.270 0.617 0.000 0.469 462 S N -0.941 114.886 115.700 0.212 0.000 2.563 462 S HA -0.138 nan 4.470 nan 0.000 0.284 462 S C 1.550 176.274 174.600 0.207 0.000 1.331 462 S CA 0.020 58.319 58.200 0.165 0.000 1.047 462 S CB 0.984 64.238 63.200 0.091 0.000 0.859 462 S HN 0.326 8.723 8.310 0.145 0.000 0.514 463 L N 5.380 126.668 121.223 0.108 0.000 2.129 463 L HA -0.378 nan 4.340 nan 0.000 0.212 463 L C 0.993 177.903 176.870 0.066 0.000 1.087 463 L CA 3.019 57.902 54.840 0.071 0.000 0.757 463 L CB 0.103 42.150 42.059 -0.021 0.000 0.896 463 L HN 0.905 9.073 8.230 0.064 0.100 0.434 464 N N -1.976 116.739 118.700 0.025 0.000 2.333 464 N HA -0.210 nan 4.740 nan 0.000 0.178 464 N C 1.902 177.409 175.510 -0.006 0.000 1.018 464 N CA 3.416 56.449 53.050 -0.027 0.000 0.882 464 N CB -0.191 38.263 38.487 -0.054 0.000 0.984 464 N HN -0.335 8.032 8.380 0.026 0.029 0.434 465 E N 1.689 121.900 120.200 0.017 0.000 2.085 465 E HA -0.327 nan 4.350 nan 0.000 0.194 465 E C 2.312 178.861 176.600 -0.085 0.000 0.994 465 E CA 2.866 59.232 56.400 -0.057 0.000 0.801 465 E CB -0.525 29.121 29.700 -0.089 0.000 0.743 465 E HN -0.534 7.771 8.360 0.051 0.086 0.453 466 Y N -1.121 119.190 120.300 0.019 0.000 2.181 466 Y HA -0.376 nan 4.550 nan 0.000 0.288 466 Y C 2.441 178.402 175.900 0.101 0.000 1.146 466 Y CA 4.253 62.404 58.100 0.085 0.000 1.164 466 Y CB -0.284 38.208 38.460 0.054 0.000 0.982 466 Y HN -0.392 8.051 8.280 0.267 -0.003 0.515 467 R N -1.358 119.223 120.500 0.135 0.000 2.091 467 R HA -0.466 nan 4.340 nan 0.000 0.238 467 R C 2.219 178.539 176.300 0.033 0.000 1.136 467 R CA 4.004 60.120 56.100 0.027 0.000 0.959 467 R CB -0.318 29.895 30.300 -0.144 0.000 0.856 467 R HN -0.372 7.891 8.270 0.119 0.079 0.437 468 K N -0.476 119.918 120.400 -0.010 0.000 2.002 468 K HA -0.365 nan 4.320 nan 0.000 0.209 468 K C 2.526 179.112 176.600 -0.023 0.000 1.048 468 K CA 3.525 59.791 56.287 -0.035 0.000 0.930 468 K CB -0.239 32.218 32.500 -0.071 0.000 0.714 468 K HN 0.331 8.455 8.250 -0.018 0.115 0.438 469 R N 0.175 120.651 120.500 -0.040 0.000 2.113 469 R HA -0.273 nan 4.340 nan 0.000 0.244 469 R C 2.433 178.621 176.300 -0.187 0.000 1.142 469 R CA 2.355 58.383 56.100 -0.120 0.000 0.953 469 R CB -0.251 29.960 30.300 -0.148 0.000 0.860 469 R HN 0.140 8.272 8.270 -0.044 0.112 0.438 470 F N 0.041 119.967 119.950 -0.039 0.000 2.949 470 F HA 0.130 nan 4.527 nan 0.000 0.291 470 F C -0.789 175.008 175.800 -0.004 0.000 1.214 470 F CA -0.234 57.743 58.000 -0.039 0.000 1.381 470 F CB -0.770 38.195 39.000 -0.057 0.000 1.066 470 F HN -0.171 8.257 8.300 0.350 0.082 0.520 471 S N -2.994 112.757 115.700 0.084 0.000 3.477 471 S HA -0.524 nan 4.470 nan 0.000 0.357 471 S C -1.003 173.653 174.600 0.094 0.000 1.083 471 S CA 1.395 59.660 58.200 0.109 0.000 1.042 471 S CB -1.907 61.404 63.200 0.185 0.000 0.911 471 S HN 0.076 8.305 8.310 0.019 0.092 0.490 472 L N -2.023 119.236 121.223 0.060 0.000 2.331 472 L HA 0.306 nan 4.340 nan 0.000 0.268 472 L C -1.624 175.222 176.870 -0.040 0.000 1.015 472 L CA -1.809 53.038 54.840 0.012 0.000 0.807 472 L CB 1.388 43.434 42.059 -0.021 0.000 1.293 472 L HN -0.257 7.898 8.230 0.062 0.112 0.451 473 K N 0.860 121.215 120.400 -0.075 0.000 2.211 473 K HA 0.392 nan 4.320 nan 0.000 0.275 473 K C -1.965 174.523 176.600 -0.187 0.000 1.024 473 K CA -3.697 52.538 56.287 -0.088 0.000 0.887 473 K CB 1.868 34.346 32.500 -0.037 0.000 1.084 473 K HN 0.407 8.613 8.250 -0.073 0.000 0.463 474 P HA -0.146 nan 4.420 nan 0.000 0.268 474 P C -1.637 175.580 177.300 -0.140 0.000 1.208 474 P CA -0.047 62.936 63.100 -0.196 0.000 0.777 474 P CB 0.496 32.135 31.700 -0.100 0.000 0.875 475 Y N -2.724 117.538 120.300 -0.064 0.000 2.336 475 Y HA -0.077 nan 4.550 nan 0.000 0.331 475 Y C 1.180 177.030 175.900 -0.082 0.000 1.211 475 Y CA -0.366 57.686 58.100 -0.080 0.000 1.346 475 Y CB 0.506 38.892 38.460 -0.124 0.000 1.271 475 Y HN 0.052 8.210 8.280 -0.204 0.000 0.538 476 T N -3.011 111.624 114.554 0.136 0.000 3.065 476 T HA 0.125 nan 4.350 nan 0.000 0.252 476 T C -0.277 174.439 174.700 0.027 0.000 1.099 476 T CA 0.059 62.192 62.100 0.055 0.000 1.063 476 T CB 0.493 69.390 68.868 0.048 0.000 0.948 476 T HN 0.153 8.757 8.240 0.176 -0.258 0.506 477 S N -1.637 114.060 115.700 -0.006 0.000 2.587 477 S HA 0.164 nan 4.470 nan 0.000 0.269 477 S C -0.202 174.351 174.600 -0.080 0.000 1.154 477 S CA -0.635 57.566 58.200 0.002 0.000 0.824 477 S CB 1.957 65.183 63.200 0.043 0.000 1.118 477 S HN -0.778 7.489 8.310 -0.008 0.038 0.462 478 F N 1.840 121.758 119.950 -0.053 0.000 2.333 478 F HA -0.315 nan 4.527 nan 0.000 0.300 478 F C 1.278 176.996 175.800 -0.136 0.000 1.083 478 F CA 4.842 62.788 58.000 -0.090 0.000 1.395 478 F CB -0.320 38.648 39.000 -0.053 0.000 1.056 478 F HN 0.687 9.245 8.300 0.431 0.000 0.529 479 E N -1.121 119.118 120.200 0.064 0.000 2.106 479 E HA -0.291 nan 4.350 nan 0.000 0.192 479 E C 2.519 179.041 176.600 -0.130 0.000 0.984 479 E CA 3.843 60.231 56.400 -0.020 0.000 0.806 479 E CB -0.913 28.791 29.700 0.007 0.000 0.750 479 E HN 0.597 8.990 8.360 0.122 0.040 0.458 480 E N -0.912 119.174 120.200 -0.190 0.000 2.077 480 E HA -0.289 nan 4.350 nan 0.000 0.193 480 E C 2.036 178.188 176.600 -0.747 0.000 0.989 480 E CA 2.833 59.031 56.400 -0.337 0.000 0.800 480 E CB -0.054 29.499 29.700 -0.245 0.000 0.746 480 E HN -0.512 7.640 8.360 -0.126 0.132 0.452 481 L N -2.360 118.366 121.223 -0.828 0.000 1.994 481 L HA -0.224 nan 4.340 nan 0.000 0.208 481 L C 1.678 178.286 176.870 -0.437 0.000 1.071 481 L CA 3.083 57.395 54.840 -0.881 0.000 0.745 481 L CB 0.415 42.206 42.059 -0.446 0.000 0.892 481 L HN -0.287 7.540 8.230 -0.545 0.076 0.431 482 T N -5.883 108.523 114.554 -0.247 0.000 3.014 482 T HA 0.011 nan 4.350 nan 0.000 0.263 482 T C 1.699 176.324 174.700 -0.124 0.000 1.078 482 T CA 1.958 63.971 62.100 -0.145 0.000 1.135 482 T CB 0.276 69.098 68.868 -0.076 0.000 0.895 482 T HN 0.015 8.129 8.240 -0.211 0.000 0.480 483 G N 2.487 111.210 108.800 -0.128 0.000 2.153 483 G HA2 -0.342 nan 3.960 nan 0.000 0.252 483 G HA3 -0.342 nan 3.960 nan 0.000 0.252 483 G C -1.392 173.470 174.900 -0.064 0.000 0.994 483 G CA 0.228 45.273 45.100 -0.091 0.000 0.698 483 G HN 0.400 8.493 8.290 -0.152 0.106 0.521 484 E N -2.980 117.185 120.200 -0.058 0.000 2.449 484 E HA 0.302 nan 4.350 nan 0.000 0.278 484 E C -1.431 175.149 176.600 -0.033 0.000 0.992 484 E CA -2.006 54.368 56.400 -0.043 0.000 0.807 484 E CB 1.772 31.445 29.700 -0.044 0.000 1.350 484 E HN -0.748 7.528 8.360 -0.064 0.046 0.462 485 K N -2.355 118.029 120.400 -0.027 0.000 2.313 485 K HA 0.033 nan 4.320 nan 0.000 0.197 485 K C 1.354 177.941 176.600 -0.023 0.000 1.061 485 K CA 0.913 57.188 56.287 -0.021 0.000 0.980 485 K CB 0.289 32.778 32.500 -0.018 0.000 0.888 485 K HN 0.383 8.616 8.250 -0.028 0.000 0.502 486 E N 0.115 120.300 120.200 -0.026 0.000 2.021 486 E HA -0.308 nan 4.350 nan 0.000 0.200 486 E C 2.365 178.946 176.600 -0.031 0.000 1.015 486 E CA 3.277 59.660 56.400 -0.028 0.000 0.824 486 E CB -0.190 29.494 29.700 -0.028 0.000 0.762 486 E HN -0.101 8.281 8.360 -0.027 -0.037 0.454 487 M N -0.809 118.775 119.600 -0.028 0.000 2.086 487 M HA -0.389 nan 4.480 nan 0.000 0.261 487 M C 1.949 178.235 176.300 -0.022 0.000 1.067 487 M CA 3.333 58.619 55.300 -0.024 0.000 1.116 487 M CB 0.033 32.620 32.600 -0.021 0.000 1.348 487 M HN -0.576 8.103 8.290 -0.029 -0.407 0.407 488 A N -0.769 122.048 122.820 -0.005 0.000 1.881 488 A HA -0.480 nan 4.320 nan 0.000 0.219 488 A C 1.756 179.302 177.584 -0.063 0.000 1.215 488 A CA 3.336 55.393 52.037 0.033 0.000 0.648 488 A CB -1.156 17.868 19.000 0.040 0.000 0.832 488 A HN 0.372 8.874 8.150 -0.010 -0.358 0.455 489 A N -3.164 119.617 122.820 -0.066 0.000 1.969 489 A HA -0.268 nan 4.320 nan 0.000 0.218 489 A C 2.210 179.711 177.584 -0.139 0.000 1.169 489 A CA 2.728 54.703 52.037 -0.102 0.000 0.635 489 A CB -0.753 18.211 19.000 -0.060 0.000 0.810 489 A HN 0.064 8.191 8.150 -0.039 0.000 0.445 490 E N -0.205 119.934 120.200 -0.102 0.000 2.051 490 E HA -0.259 nan 4.350 nan 0.000 0.192 490 E C 2.288 178.813 176.600 -0.125 0.000 0.991 490 E CA 2.267 58.614 56.400 -0.088 0.000 0.799 490 E CB -0.445 29.227 29.700 -0.047 0.000 0.748 490 E HN -0.591 7.616 8.360 -0.074 0.109 0.449 491 L N -0.618 120.512 121.223 -0.156 0.000 2.027 491 L HA -0.386 nan 4.340 nan 0.000 0.206 491 L C 1.915 178.382 176.870 -0.671 0.000 1.074 491 L CA 3.020 57.754 54.840 -0.177 0.000 0.745 491 L CB -0.175 41.879 42.059 -0.008 0.000 0.898 491 L HN 0.521 8.570 8.230 -0.124 0.107 0.433 492 K N -0.855 118.839 120.400 -1.177 0.000 2.152 492 K HA -0.416 nan 4.320 nan 0.000 0.206 492 K C 2.436 178.741 176.600 -0.492 0.000 1.048 492 K CA 3.391 58.897 56.287 -1.302 0.000 0.933 492 K CB -0.162 31.953 32.500 -0.642 0.000 0.721 492 K HN 0.383 8.031 8.250 -0.820 0.110 0.447 493 A N -0.698 121.936 122.820 -0.310 0.000 1.858 493 A HA -0.243 nan 4.320 nan 0.000 0.216 493 A C 2.163 179.665 177.584 -0.136 0.000 1.190 493 A CA 2.846 54.785 52.037 -0.163 0.000 0.617 493 A CB -0.845 18.085 19.000 -0.117 0.000 0.827 493 A HN -0.324 7.527 8.150 -0.315 0.110 0.443 494 L N -2.232 118.913 121.223 -0.131 0.000 1.961 494 L HA -0.368 nan 4.340 nan 0.000 0.210 494 L C 2.627 179.403 176.870 -0.158 0.000 1.072 494 L CA 3.111 57.873 54.840 -0.130 0.000 0.749 494 L CB 0.048 42.051 42.059 -0.094 0.000 0.889 494 L HN -0.671 7.408 8.230 -0.140 0.067 0.432 495 Y N -4.628 115.636 120.300 -0.059 0.000 2.373 495 Y HA -0.356 nan 4.550 nan 0.000 0.293 495 Y C 0.963 176.951 175.900 0.145 0.000 1.129 495 Y CA 3.117 61.291 58.100 0.124 0.000 1.226 495 Y CB -0.013 38.714 38.460 0.444 0.000 1.000 495 Y HN 0.337 8.642 8.280 0.204 0.097 0.549 496 S N -3.102 112.685 115.700 0.144 0.000 4.130 496 S HA -0.518 nan 4.470 nan 0.000 0.326 496 S C -0.523 174.281 174.600 0.339 0.000 1.851 496 S CA 2.555 60.841 58.200 0.144 0.000 4.216 496 S CB -0.904 62.353 63.200 0.095 0.000 0.301 496 S HN -0.002 8.148 8.310 -0.041 0.136 0.455 497 D N 2.335 122.933 120.400 0.329 0.000 2.308 497 D HA 0.134 nan 4.640 nan 0.000 0.251 497 D C 1.207 177.673 176.300 0.276 0.000 1.127 497 D CA -0.712 53.454 54.000 0.276 0.000 0.876 497 D CB 1.020 41.914 40.800 0.157 0.000 1.176 497 D HN -0.328 8.172 8.370 0.278 0.037 0.446 498 I N 5.250 125.853 120.570 0.055 0.000 2.286 498 I HA -0.279 nan 4.170 nan 0.000 0.248 498 I C 0.250 176.243 176.117 -0.208 0.000 1.115 498 I CA 1.932 62.972 61.300 -0.434 0.000 1.392 498 I CB 0.517 38.321 38.000 -0.327 0.000 1.065 498 I HN 0.495 8.779 8.210 0.125 0.000 0.418 499 D N -0.892 119.481 120.400 -0.046 0.000 2.368 499 D HA -0.077 nan 4.640 nan 0.000 0.250 499 D C 0.912 177.239 176.300 0.044 0.000 1.142 499 D CA 2.511 56.507 54.000 -0.007 0.000 0.925 499 D CB -0.706 40.101 40.800 0.012 0.000 0.896 499 D HN -0.365 8.229 8.370 -0.008 -0.228 0.525 500 V N -1.425 118.541 119.914 0.088 0.000 3.398 500 V HA 0.095 nan 4.120 nan 0.000 0.298 500 V C -0.810 175.436 176.094 0.254 0.000 1.496 500 V CA -1.869 60.550 62.300 0.198 0.000 1.044 500 V CB 0.410 32.391 31.823 0.263 0.000 0.880 500 V HN -0.568 7.464 8.190 0.060 0.193 0.443 501 M N 2.577 122.170 119.600 -0.012 0.000 2.245 501 M HA 0.057 nan 4.480 nan 0.000 0.344 501 M C -1.450 174.774 176.300 -0.127 0.000 1.170 501 M CA -1.081 54.030 55.300 -0.315 0.000 1.135 501 M CB 2.092 34.417 32.600 -0.457 0.000 1.574 501 M HN -0.117 7.958 8.290 -0.081 0.166 0.452 502 E N 4.047 124.155 120.200 -0.155 0.000 2.319 502 E HA 0.213 nan 4.350 nan 0.000 0.268 502 E C 0.524 177.100 176.600 -0.040 0.000 1.050 502 E CA -0.205 56.198 56.400 0.006 0.000 0.878 502 E CB 0.780 30.546 29.700 0.109 0.000 1.066 502 E HN 0.138 8.246 8.360 -0.421 0.000 0.406 503 L N 3.781 124.989 121.223 -0.026 0.000 1.994 503 L HA -0.344 nan 4.340 nan 0.000 0.208 503 L C 0.701 177.520 176.870 -0.085 0.000 1.071 503 L CA 3.849 58.629 54.840 -0.100 0.000 0.745 503 L CB 0.133 42.047 42.059 -0.242 0.000 0.892 503 L HN 0.585 8.823 8.230 0.014 0.000 0.431 504 Y N -2.042 118.155 120.300 -0.171 0.000 2.049 504 Y HA -0.348 nan 4.550 nan 0.000 0.277 504 Y C -1.050 174.796 175.900 -0.091 0.000 1.143 504 Y CA 4.870 62.877 58.100 -0.154 0.000 1.115 504 Y CB -2.355 35.994 38.460 -0.184 0.000 0.975 504 Y HN 0.126 8.425 8.280 0.033 0.000 0.487 505 P HA -0.313 nan 4.420 nan 0.000 0.214 505 P C 0.965 178.128 177.300 -0.227 0.000 1.162 505 P CA 2.911 65.880 63.100 -0.218 0.000 0.879 505 P CB -0.653 31.039 31.700 -0.014 0.000 0.786 506 A N -4.635 118.081 122.820 -0.173 0.000 2.148 506 A HA -0.207 nan 4.320 nan 0.000 0.222 506 A C 1.073 178.578 177.584 -0.132 0.000 1.161 506 A CA 2.323 54.275 52.037 -0.141 0.000 0.662 506 A CB -0.768 18.161 19.000 -0.119 0.000 0.799 506 A HN -0.446 7.610 8.150 -0.156 0.000 0.466 507 L N -3.541 117.564 121.223 -0.197 0.000 2.127 507 L HA -0.162 nan 4.340 nan 0.000 0.203 507 L C 1.043 177.796 176.870 -0.195 0.000 1.080 507 L CA 2.086 56.809 54.840 -0.194 0.000 0.768 507 L CB 0.565 42.480 42.059 -0.241 0.000 0.924 507 L HN -0.864 7.038 8.230 -0.251 0.177 0.444 508 L N -4.240 116.827 121.223 -0.259 0.000 2.307 508 L HA -0.001 nan 4.340 nan 0.000 0.211 508 L C 1.759 178.543 176.870 -0.143 0.000 1.099 508 L CA 1.804 56.523 54.840 -0.201 0.000 0.816 508 L CB 0.424 42.343 42.059 -0.234 0.000 0.952 508 L HN -0.484 7.440 8.230 -0.350 0.095 0.455 509 V N -2.078 117.755 119.914 -0.136 0.000 2.812 509 V HA 0.144 nan 4.120 nan 0.000 0.344 509 V C -1.949 174.086 176.094 -0.098 0.000 1.244 509 V CA -1.727 60.513 62.300 -0.100 0.000 1.447 509 V CB -1.343 30.434 31.823 -0.076 0.000 1.534 509 V HN -0.409 7.683 8.190 -0.163 0.000 0.590 510 E N 1.240 121.382 120.200 -0.096 0.000 2.256 510 E HA 0.226 nan 4.350 nan 0.000 0.267 510 E C -1.212 175.338 176.600 -0.084 0.000 0.892 510 E CA -2.052 54.297 56.400 -0.085 0.000 0.775 510 E CB 3.547 33.220 29.700 -0.045 0.000 1.207 510 E HN -0.758 7.481 8.360 -0.097 0.062 0.420 511 K N 4.968 125.310 120.400 -0.097 0.000 2.382 511 K HA 0.135 nan 4.320 nan 0.000 0.286 511 K C -1.935 174.628 176.600 -0.062 0.000 1.062 511 K CA -1.484 54.751 56.287 -0.086 0.000 1.000 511 K CB 0.001 32.440 32.500 -0.102 0.000 0.954 511 K HN 0.170 8.342 8.250 -0.130 0.000 0.470 512 P HA -0.082 nan 4.420 nan 0.000 0.268 512 P C -1.078 176.167 177.300 -0.091 0.000 1.204 512 P CA -0.139 62.907 63.100 -0.090 0.000 0.768 512 P CB 0.481 32.106 31.700 -0.125 0.000 0.842 513 R N 4.749 125.185 120.500 -0.108 0.000 2.679 513 R HA 0.058 nan 4.340 nan 0.000 0.268 513 R C -0.614 175.602 176.300 -0.140 0.000 1.044 513 R CA -0.370 55.647 56.100 -0.138 0.000 1.105 513 R CB -1.006 29.130 30.300 -0.275 0.000 0.989 513 R HN -0.145 8.064 8.270 -0.102 0.000 0.447 514 P HA -0.437 nan 4.420 nan 0.000 0.260 514 P C -0.158 177.079 177.300 -0.104 0.000 0.829 514 P CA 2.321 65.380 63.100 -0.067 0.000 1.087 514 P CB -0.037 31.640 31.700 -0.039 0.000 0.816 515 D N -1.721 118.607 120.400 -0.121 0.000 2.894 515 D HA 0.051 nan 4.640 nan 0.000 0.248 515 D C -0.961 175.213 176.300 -0.210 0.000 1.291 515 D CA -0.326 53.584 54.000 -0.150 0.000 0.840 515 D CB -0.713 40.007 40.800 -0.134 0.000 1.044 515 D HN 0.063 8.366 8.370 -0.111 0.000 0.484 516 A N -0.524 122.158 122.820 -0.230 0.000 2.313 516 A HA 0.246 nan 4.320 nan 0.000 0.261 516 A C -0.780 176.550 177.584 -0.424 0.000 1.090 516 A CA -0.905 50.940 52.037 -0.320 0.000 0.807 516 A CB 2.041 20.874 19.000 -0.278 0.000 1.055 516 A HN 0.383 8.219 8.150 -0.195 0.197 0.492 517 I N -1.795 118.355 120.570 -0.701 0.000 3.059 517 I HA -0.061 nan 4.170 nan 0.000 0.270 517 I C -2.129 173.518 176.117 -0.784 0.000 1.238 517 I CA 1.393 62.186 61.300 -0.845 0.000 1.478 517 I CB 0.691 37.998 38.000 -1.155 0.000 1.097 517 I HN 0.282 8.272 8.210 -0.797 -0.258 0.455 518 F N -6.720 113.055 119.950 -0.291 0.000 2.741 518 F HA 0.581 nan 4.527 nan 0.000 0.313 518 F C -1.268 174.420 175.800 -0.187 0.000 1.153 518 F CA -2.274 55.568 58.000 -0.263 0.000 0.931 518 F CB 1.210 40.012 39.000 -0.329 0.000 1.335 518 F HN -0.807 7.016 8.300 -0.727 0.041 0.460 519 G N -1.699 107.172 108.800 0.117 0.000 2.543 519 G HA2 0.238 nan 3.960 nan 0.000 0.290 519 G HA3 0.238 nan 3.960 nan 0.000 0.290 519 G C -1.019 173.926 174.900 0.076 0.000 1.310 519 G CA -1.689 43.444 45.100 0.054 0.000 1.025 519 G HN 0.002 8.351 8.290 0.100 0.000 0.502 520 E N -0.157 120.079 120.200 0.060 0.000 2.033 520 E HA -0.463 nan 4.350 nan 0.000 0.199 520 E C 1.949 178.567 176.600 0.031 0.000 1.011 520 E CA 3.781 60.221 56.400 0.067 0.000 0.815 520 E CB -0.056 29.691 29.700 0.078 0.000 0.755 520 E HN 0.601 8.994 8.360 0.055 0.000 0.451 521 T N 1.379 115.942 114.554 0.015 0.000 2.653 521 T HA -0.352 nan 4.350 nan 0.000 0.268 521 T C 2.118 176.747 174.700 -0.118 0.000 1.035 521 T CA 4.300 66.370 62.100 -0.051 0.000 1.154 521 T CB -0.682 68.169 68.868 -0.028 0.000 0.862 521 T HN -0.481 8.022 8.240 0.061 -0.226 0.441 522 M N 1.166 120.690 119.600 -0.125 0.000 2.059 522 M HA -0.267 nan 4.480 nan 0.000 0.259 522 M C 1.458 177.626 176.300 -0.220 0.000 1.072 522 M CA 3.018 58.174 55.300 -0.239 0.000 1.117 522 M CB -0.317 32.043 32.600 -0.400 0.000 1.320 522 M HN -0.713 7.688 8.290 -0.075 -0.156 0.408 523 V N -1.012 118.840 119.914 -0.104 0.000 2.469 523 V HA -0.489 nan 4.120 nan 0.000 0.251 523 V C 2.748 178.867 176.094 0.041 0.000 1.064 523 V CA 4.062 66.383 62.300 0.035 0.000 1.066 523 V CB -1.538 30.402 31.823 0.194 0.000 0.667 523 V HN -0.133 8.034 8.190 -0.038 0.000 0.461 524 E N -1.329 118.862 120.200 -0.014 0.000 2.122 524 E HA -0.143 nan 4.350 nan 0.000 0.190 524 E C 2.054 178.531 176.600 -0.205 0.000 0.977 524 E CA 2.176 58.569 56.400 -0.012 0.000 0.820 524 E CB -0.108 29.615 29.700 0.039 0.000 0.770 524 E HN 0.163 8.473 8.360 -0.037 0.028 0.462 525 L N -2.642 118.278 121.223 -0.506 0.000 2.056 525 L HA -0.093 nan 4.340 nan 0.000 0.207 525 L C 2.255 178.586 176.870 -0.898 0.000 1.078 525 L CA 2.522 56.627 54.840 -1.225 0.000 0.749 525 L CB 0.115 41.561 42.059 -1.022 0.000 0.901 525 L HN -0.568 7.441 8.230 -0.368 0.000 0.433 526 G N -3.420 105.197 108.800 -0.304 0.000 2.430 526 G HA2 -0.223 nan 3.960 nan 0.000 0.216 526 G HA3 -0.223 nan 3.960 nan 0.000 0.216 526 G C 0.261 175.355 174.900 0.324 0.000 1.146 526 G CA 1.276 46.476 45.100 0.167 0.000 0.793 526 G HN -0.220 7.913 8.290 -0.261 0.000 0.537 527 A N 2.180 125.115 122.820 0.192 0.000 1.865 527 A HA -0.113 nan 4.320 nan 0.000 0.217 527 A C -0.909 176.821 177.584 0.243 0.000 1.191 527 A CA 4.690 56.879 52.037 0.253 0.000 0.623 527 A CB -2.214 16.919 19.000 0.222 0.000 0.826 527 A HN -0.281 7.924 8.150 0.092 0.000 0.444 528 P HA -0.210 nan 4.420 nan 0.000 0.215 528 P C 1.378 178.867 177.300 0.315 0.000 1.157 528 P CA 3.062 66.310 63.100 0.246 0.000 0.868 528 P CB -0.267 31.616 31.700 0.305 0.000 0.788 529 F N -4.121 115.832 119.950 0.005 0.000 2.134 529 F HA -0.139 nan 4.527 nan 0.000 0.299 529 F C 2.318 177.766 175.800 -0.586 0.000 1.097 529 F CA 0.953 58.730 58.000 -0.372 0.000 1.264 529 F CB -0.824 37.822 39.000 -0.590 0.000 1.001 529 F HN -0.874 7.605 8.300 0.299 0.000 0.479 530 S N -1.381 114.350 115.700 0.052 0.000 2.522 530 S HA -0.158 nan 4.470 nan 0.000 0.227 530 S C 1.851 176.531 174.600 0.134 0.000 0.986 530 S CA 2.728 61.053 58.200 0.209 0.000 0.929 530 S CB -0.232 63.376 63.200 0.681 0.000 0.769 530 S HN 0.147 8.468 8.310 0.326 0.184 0.529 531 L N -0.233 121.062 121.223 0.120 0.000 2.253 531 L HA -0.063 nan 4.340 nan 0.000 0.205 531 L C 1.277 178.193 176.870 0.076 0.000 1.078 531 L CA 2.105 57.011 54.840 0.109 0.000 0.805 531 L CB 0.129 42.270 42.059 0.135 0.000 0.963 531 L HN -0.591 7.689 8.230 0.141 0.035 0.459 532 K N -1.504 118.924 120.400 0.048 0.000 2.442 532 K HA -0.279 nan 4.320 nan 0.000 0.198 532 K C 1.211 177.769 176.600 -0.070 0.000 1.042 532 K CA 2.903 59.212 56.287 0.037 0.000 0.958 532 K CB -0.225 32.255 32.500 -0.032 0.000 0.766 532 K HN -0.688 7.587 8.250 0.042 0.000 0.474 533 G N -3.834 104.864 108.800 -0.170 0.000 2.662 533 G HA2 0.106 nan 3.960 nan 0.000 0.212 533 G HA3 0.106 nan 3.960 nan 0.000 0.212 533 G C 0.167 174.962 174.900 -0.175 0.000 1.141 533 G CA 0.832 45.761 45.100 -0.285 0.000 0.797 533 G HN -0.648 7.499 8.290 -0.170 0.041 0.531 534 L N 1.056 122.241 121.223 -0.063 0.000 2.116 534 L HA 0.149 nan 4.340 nan 0.000 0.200 534 L C 1.158 178.060 176.870 0.053 0.000 1.084 534 L CA 1.970 56.802 54.840 -0.013 0.000 0.766 534 L CB -0.112 41.951 42.059 0.007 0.000 0.930 534 L HN -0.785 7.276 8.230 -0.037 0.147 0.453 535 M N -5.062 114.597 119.600 0.099 0.000 2.175 535 M HA -0.050 nan 4.480 nan 0.000 0.264 535 M C 2.248 178.769 176.300 0.368 0.000 1.063 535 M CA 0.152 55.536 55.300 0.140 0.000 1.119 535 M CB -0.084 32.461 32.600 -0.091 0.000 1.377 535 M HN 0.078 8.416 8.290 0.081 0.000 0.415 536 G N -0.962 108.077 108.800 0.398 0.000 3.197 536 G HA2 -0.110 nan 3.960 nan 0.000 0.257 536 G HA3 -0.110 nan 3.960 nan 0.000 0.257 536 G C -1.623 173.358 174.900 0.136 0.000 0.835 536 G CA -0.195 45.040 45.100 0.224 0.000 2.001 536 G HN -0.308 8.050 8.290 0.283 0.102 0.625 537 N N 2.163 121.007 118.700 0.240 0.000 2.371 537 N HA 0.303 nan 4.740 nan 0.000 0.291 537 N C -1.598 173.987 175.510 0.125 0.000 1.053 537 N CA -2.825 50.294 53.050 0.114 0.000 0.870 537 N CB 2.620 41.150 38.487 0.072 0.000 1.503 537 N HN -0.244 8.315 8.380 0.407 0.065 0.485 538 P HA -0.340 nan 4.420 nan 0.000 0.219 538 P C 1.396 178.476 177.300 -0.366 0.000 1.158 538 P CA 2.657 65.564 63.100 -0.322 0.000 0.895 538 P CB 0.259 31.607 31.700 -0.587 0.000 0.792 539 I N -5.766 114.719 120.570 -0.142 0.000 2.361 539 I HA -0.289 nan 4.170 nan 0.000 0.251 539 I C 0.925 177.290 176.117 0.414 0.000 1.133 539 I CA 3.050 64.506 61.300 0.260 0.000 1.413 539 I CB -0.531 37.791 38.000 0.537 0.000 1.073 539 I HN -0.699 7.654 8.210 -0.091 -0.198 0.424 540 C N -1.574 117.891 119.300 0.275 0.000 2.449 540 C HA -0.055 nan 4.460 nan 0.000 0.283 540 C C 0.190 175.388 174.990 0.347 0.000 1.453 540 C CA -0.031 59.138 59.018 0.250 0.000 1.779 540 C CB -1.951 25.998 27.740 0.349 0.000 1.779 540 C HN -0.130 8.131 8.230 0.229 0.105 0.546 541 S N 1.209 116.963 115.700 0.090 0.000 2.585 541 S HA 0.197 nan 4.470 nan 0.000 0.273 541 S C -0.778 173.752 174.600 -0.116 0.000 1.339 541 S CA -1.137 56.782 58.200 -0.469 0.000 1.028 541 S CB 0.734 63.712 63.200 -0.369 0.000 0.906 541 S HN -0.188 7.980 8.310 0.128 0.218 0.528 542 P HA -0.006 nan 4.420 nan 0.000 0.226 542 P C -0.141 176.992 177.300 -0.279 0.000 1.153 542 P CA 2.197 64.803 63.100 -0.822 0.000 0.777 542 P CB 0.030 31.005 31.700 -1.208 0.000 0.794 543 Q N -3.427 116.288 119.800 -0.142 0.000 2.269 543 Q HA -0.141 nan 4.340 nan 0.000 0.201 543 Q C 1.252 177.217 176.000 -0.058 0.000 0.946 543 Q CA 2.138 57.889 55.803 -0.087 0.000 0.877 543 Q CB -0.591 28.110 28.738 -0.062 0.000 0.963 543 Q HN -0.438 7.683 8.270 -0.160 0.054 0.472 544 Y N -2.954 117.337 120.300 -0.014 0.000 2.441 544 Y HA -0.053 nan 4.550 nan 0.000 0.288 544 Y C 0.573 176.573 175.900 0.168 0.000 1.118 544 Y CA 1.045 59.170 58.100 0.042 0.000 1.215 544 Y CB 1.643 40.179 38.460 0.127 0.000 1.118 544 Y HN -0.648 7.724 8.280 0.338 0.111 0.547 545 W N 2.804 124.272 121.300 0.279 0.000 1.534 545 W HA -0.175 nan 4.660 nan 0.000 0.520 545 W C -1.041 175.549 176.519 0.118 0.000 0.682 545 W CA 1.149 58.717 57.345 0.371 0.000 2.176 545 W CB -0.827 28.987 29.460 0.589 0.000 1.620 545 W HN 0.266 8.708 8.180 0.612 0.105 0.206 546 K N 0.880 121.054 120.400 -0.377 0.000 2.556 546 K HA 0.391 nan 4.320 nan 0.000 0.274 546 K C -2.775 173.233 176.600 -0.987 0.000 0.966 546 K CA -2.998 52.871 56.287 -0.698 0.000 0.865 546 K CB 0.464 32.767 32.500 -0.328 0.000 1.444 546 K HN -0.155 7.885 8.250 -0.281 0.042 0.433 547 P HA -0.179 nan 4.420 nan 0.000 0.286 547 P C 0.390 177.492 177.300 -0.329 0.000 1.278 547 P CA 0.432 63.192 63.100 -0.566 0.000 0.785 547 P CB -0.147 31.394 31.700 -0.266 0.000 1.269 548 S N -4.833 110.797 115.700 -0.117 0.000 1.885 548 S HA -0.556 nan 4.470 nan 0.000 0.220 548 S C 2.157 176.655 174.600 -0.171 0.000 0.988 548 S CA 3.475 61.629 58.200 -0.077 0.000 1.627 548 S CB -2.056 61.089 63.200 -0.091 0.000 2.182 548 S HN 0.177 8.363 8.310 -0.013 0.116 0.556 549 T N 4.741 119.038 114.554 -0.429 0.000 2.822 549 T HA -0.256 nan 4.350 nan 0.000 0.270 549 T C 0.135 174.466 174.700 -0.615 0.000 1.064 549 T CA 3.396 65.118 62.100 -0.630 0.000 1.131 549 T CB -0.182 68.067 68.868 -1.032 0.000 0.858 549 T HN 0.344 8.234 8.240 -0.497 0.052 0.483 550 F N -2.676 117.327 119.950 0.087 0.000 2.837 550 F HA 0.118 nan 4.527 nan 0.000 0.298 550 F C -0.306 175.613 175.800 0.199 0.000 1.161 550 F CA -2.265 55.833 58.000 0.163 0.000 1.353 550 F CB -0.709 38.426 39.000 0.225 0.000 0.951 550 F HN -0.575 7.458 8.300 -0.394 0.031 0.508 551 G N -2.400 106.570 108.800 0.284 0.000 2.304 551 G HA2 -0.421 nan 3.960 nan 0.000 0.252 551 G HA3 -0.421 nan 3.960 nan 0.000 0.252 551 G C -2.021 173.023 174.900 0.240 0.000 1.014 551 G CA 0.667 46.013 45.100 0.410 0.000 0.619 551 G HN -0.015 8.205 8.290 0.143 0.157 0.525 552 G N -2.494 106.444 108.800 0.230 0.000 2.325 552 G HA2 -0.118 nan 3.960 nan 0.000 0.295 552 G HA3 -0.118 nan 3.960 nan 0.000 0.295 552 G C -1.103 173.901 174.900 0.175 0.000 1.274 552 G CA -0.309 44.903 45.100 0.187 0.000 0.857 552 G HN -1.019 7.323 8.290 0.256 0.102 0.499 553 E N 0.049 120.335 120.200 0.143 0.000 2.112 553 E HA -0.102 nan 4.350 nan 0.000 0.190 553 E C 1.856 178.583 176.600 0.211 0.000 0.979 553 E CA 1.818 58.323 56.400 0.176 0.000 0.814 553 E CB 0.042 29.808 29.700 0.111 0.000 0.762 553 E HN 0.370 8.797 8.360 0.112 0.000 0.460 554 V N -0.252 119.756 119.914 0.157 0.000 2.215 554 V HA -0.412 nan 4.120 nan 0.000 0.246 554 V C 2.495 178.695 176.094 0.177 0.000 1.047 554 V CA 4.645 67.025 62.300 0.133 0.000 0.999 554 V CB -1.281 30.604 31.823 0.103 0.000 0.635 554 V HN 0.013 8.264 8.190 0.133 0.018 0.450 555 G N -0.923 108.014 108.800 0.229 0.000 2.505 555 G HA2 -0.357 nan 3.960 nan 0.000 0.220 555 G HA3 -0.357 nan 3.960 nan 0.000 0.220 555 G C 1.259 176.336 174.900 0.294 0.000 1.145 555 G CA 2.149 47.409 45.100 0.268 0.000 0.761 555 G HN 0.123 8.552 8.290 0.231 0.000 0.571 556 F N 2.101 122.148 119.950 0.162 0.000 2.216 556 F HA -0.186 nan 4.527 nan 0.000 0.300 556 F C 0.075 175.873 175.800 -0.003 0.000 1.085 556 F CA 1.461 59.503 58.000 0.070 0.000 1.326 556 F CB 0.382 39.417 39.000 0.060 0.000 1.027 556 F HN -0.788 7.787 8.300 0.472 0.008 0.497 557 K N -2.044 118.400 120.400 0.074 0.000 2.684 557 K HA 0.105 nan 4.320 nan 0.000 0.215 557 K C 0.225 176.825 176.600 -0.000 0.000 1.073 557 K CA -1.074 55.184 56.287 -0.049 0.000 1.197 557 K CB -1.963 30.535 32.500 -0.004 0.000 0.955 557 K HN 0.028 8.257 8.250 0.185 0.133 0.473 558 I N -0.017 120.565 120.570 0.021 0.000 3.443 558 I HA -0.125 nan 4.170 nan 0.000 0.277 558 I C 1.397 177.545 176.117 0.051 0.000 1.169 558 I CA 2.256 63.587 61.300 0.052 0.000 1.419 558 I CB 1.130 39.181 38.000 0.085 0.000 1.331 558 I HN -0.222 7.813 8.210 0.021 0.187 0.458 559 I N 1.029 121.617 120.570 0.029 0.000 2.118 559 I HA -0.529 nan 4.170 nan 0.000 0.241 559 I C 1.079 177.260 176.117 0.107 0.000 1.070 559 I CA 3.916 65.270 61.300 0.090 0.000 1.327 559 I CB -0.216 37.840 38.000 0.094 0.000 1.034 559 I HN -0.623 7.589 8.210 0.002 0.000 0.405 560 N N -2.574 116.109 118.700 -0.029 0.000 2.441 560 N HA 0.030 nan 4.740 nan 0.000 0.225 560 N C -0.127 175.384 175.510 0.001 0.000 1.208 560 N CA 1.344 54.375 53.050 -0.032 0.000 0.847 560 N CB -0.603 37.754 38.487 -0.216 0.000 1.121 560 N HN -0.407 7.888 8.380 -0.146 -0.003 0.479 561 T N -6.124 108.452 114.554 0.036 0.000 3.328 561 T HA 0.078 nan 4.350 nan 0.000 0.297 561 T C -0.845 173.885 174.700 0.051 0.000 0.882 561 T CA -0.715 61.406 62.100 0.036 0.000 0.906 561 T CB 1.156 70.038 68.868 0.024 0.000 1.210 561 T HN -0.468 7.700 8.240 0.055 0.106 0.631 562 A N 2.554 125.420 122.820 0.077 0.000 2.425 562 A HA 0.061 nan 4.320 nan 0.000 0.242 562 A C -1.499 176.123 177.584 0.063 0.000 1.077 562 A CA 0.932 53.021 52.037 0.087 0.000 0.781 562 A CB 0.468 19.548 19.000 0.133 0.000 1.020 562 A HN -0.365 7.740 8.150 0.095 0.102 0.494 563 S N -0.658 115.066 115.700 0.040 0.000 2.586 563 S HA 0.060 nan 4.470 nan 0.000 0.277 563 S C -0.388 174.181 174.600 -0.051 0.000 1.131 563 S CA -0.582 57.611 58.200 -0.010 0.000 0.848 563 S CB 2.153 65.334 63.200 -0.031 0.000 1.091 563 S HN -0.363 7.974 8.310 0.046 0.000 0.453 564 I N 3.679 124.164 120.570 -0.142 0.000 2.493 564 I HA -0.312 nan 4.170 nan 0.000 0.254 564 I C 0.394 176.388 176.117 -0.205 0.000 1.160 564 I CA 1.463 62.645 61.300 -0.196 0.000 1.445 564 I CB -0.516 37.156 38.000 -0.547 0.000 1.086 564 I HN 0.513 8.921 8.210 -0.187 -0.310 0.433 565 Q N -0.430 119.237 119.800 -0.222 0.000 2.061 565 Q HA -0.310 nan 4.340 nan 0.000 0.204 565 Q C 2.226 178.157 176.000 -0.116 0.000 0.984 565 Q CA 3.306 58.992 55.803 -0.194 0.000 0.846 565 Q CB -0.687 27.960 28.738 -0.152 0.000 0.902 565 Q HN 0.353 8.466 8.270 -0.225 0.022 0.421 566 S N 0.558 116.212 115.700 -0.077 0.000 2.371 566 S HA -0.267 nan 4.470 nan 0.000 0.224 566 S C 2.138 176.703 174.600 -0.058 0.000 1.029 566 S CA 3.512 61.685 58.200 -0.046 0.000 0.978 566 S CB -0.076 63.113 63.200 -0.017 0.000 0.833 566 S HN -0.341 7.925 8.310 -0.073 0.000 0.466 567 L N 2.078 123.257 121.223 -0.073 0.000 2.089 567 L HA -0.365 nan 4.340 nan 0.000 0.213 567 L C 2.024 178.818 176.870 -0.127 0.000 1.079 567 L CA 3.447 58.215 54.840 -0.120 0.000 0.758 567 L CB -0.123 41.833 42.059 -0.172 0.000 0.891 567 L HN 0.114 8.304 8.230 -0.066 0.000 0.433 568 I N -1.604 118.904 120.570 -0.103 0.000 2.339 568 I HA -0.356 nan 4.170 nan 0.000 0.245 568 I C 1.196 177.268 176.117 -0.074 0.000 1.096 568 I CA 4.039 65.284 61.300 -0.092 0.000 1.408 568 I CB 0.051 37.999 38.000 -0.087 0.000 1.092 568 I HN -0.451 7.691 8.210 -0.102 0.007 0.423 569 c N -0.493 118.069 118.600 -0.062 0.000 2.409 569 c HA -0.336 nan 4.570 nan 0.000 0.284 569 c C 1.879 175.948 174.090 -0.035 0.000 1.354 569 c CA 3.284 59.589 56.329 -0.040 0.000 1.787 569 c CB -1.593 40.901 42.510 -0.026 0.000 1.900 569 c HN -0.242 7.945 8.230 -0.072 0.000 0.520 570 N N -1.852 116.824 118.700 -0.041 0.000 2.368 570 N HA 0.078 nan 4.740 nan 0.000 0.176 570 N C 0.612 176.096 175.510 -0.043 0.000 1.021 570 N CA 2.197 55.228 53.050 -0.032 0.000 0.888 570 N CB 0.343 38.817 38.487 -0.021 0.000 0.995 570 N HN 0.335 8.640 8.380 -0.052 0.044 0.437 571 N N -2.653 116.006 118.700 -0.067 0.000 2.294 571 N HA 0.074 nan 4.740 nan 0.000 0.186 571 N C -0.547 174.902 175.510 -0.101 0.000 1.107 571 N CA 0.559 53.558 53.050 -0.086 0.000 0.884 571 N CB 2.888 41.309 38.487 -0.110 0.000 1.030 571 N HN -0.660 7.563 8.380 -0.076 0.112 0.482 572 V N -0.413 119.448 119.914 -0.088 0.000 2.394 572 V HA 0.137 nan 4.120 nan 0.000 0.282 572 V C 0.052 176.109 176.094 -0.062 0.000 1.031 572 V CA -1.697 60.551 62.300 -0.086 0.000 0.881 572 V CB -0.064 31.711 31.823 -0.080 0.000 0.982 572 V HN 0.214 8.267 8.190 -0.076 0.092 0.451 573 K N 7.187 127.548 120.400 -0.065 0.000 2.303 573 K HA -0.353 nan 4.320 nan 0.000 0.208 573 K C 0.222 176.807 176.600 -0.026 0.000 1.035 573 K CA 2.164 58.423 56.287 -0.045 0.000 0.934 573 K CB -0.191 32.289 32.500 -0.035 0.000 0.759 573 K HN 0.549 8.748 8.250 -0.086 0.000 0.490 574 G N -3.816 104.973 108.800 -0.020 0.000 2.992 574 G HA2 -0.076 nan 3.960 nan 0.000 0.195 574 G HA3 -0.076 nan 3.960 nan 0.000 0.195 574 G C -1.643 173.251 174.900 -0.010 0.000 2.032 574 G CA -0.340 44.755 45.100 -0.008 0.000 0.831 574 G HN -0.587 7.623 8.290 -0.025 0.065 0.647 575 c N 0.467 119.065 118.600 -0.003 0.000 2.206 575 c HA 0.068 nan 4.570 nan 0.000 0.307 575 c C -2.687 171.412 174.090 0.016 0.000 0.824 575 c CA -1.793 54.535 56.329 -0.003 0.000 0.602 575 c CB -1.054 41.459 42.510 0.004 0.000 1.478 575 c HN -0.054 8.178 8.230 0.004 0.000 0.775 576 P HA 0.148 nan 4.420 nan 0.000 0.272 576 P C -1.729 175.602 177.300 0.051 0.000 1.223 576 P CA -0.387 62.739 63.100 0.044 0.000 0.784 576 P CB 0.813 32.527 31.700 0.023 0.000 0.923 577 F N 0.646 120.586 119.950 -0.018 0.000 2.459 577 F HA -0.035 nan 4.527 nan 0.000 0.346 577 F C -1.467 174.320 175.800 -0.021 0.000 1.128 577 F CA 0.277 58.263 58.000 -0.022 0.000 1.268 577 F CB 1.630 40.619 39.000 -0.018 0.000 1.161 577 F HN -0.212 8.247 8.300 0.265 0.000 0.583 578 T N 5.323 119.146 114.554 -1.218 0.000 2.762 578 T HA 0.320 nan 4.350 nan 0.000 0.301 578 T C -2.069 171.994 174.700 -1.061 0.000 1.299 578 T CA -0.926 60.625 62.100 -0.915 0.000 1.005 578 T CB 2.575 71.202 68.868 -0.401 0.000 1.377 578 T HN -0.053 7.636 8.240 -1.242 -0.194 0.504 579 S N -1.297 114.045 115.700 -0.596 0.000 2.671 579 S HA 0.215 nan 4.470 nan 0.000 0.270 579 S C -1.799 172.645 174.600 -0.260 0.000 1.166 579 S CA -0.515 57.403 58.200 -0.469 0.000 0.868 579 S CB 1.075 64.121 63.200 -0.256 0.000 1.190 579 S HN -0.240 7.842 8.310 -0.380 0.000 0.494 580 F N -1.826 118.069 119.950 -0.091 0.000 2.654 580 F HA 0.168 nan 4.527 nan 0.000 0.303 580 F C -1.046 174.505 175.800 -0.415 0.000 1.099 580 F CA -0.950 56.950 58.000 -0.166 0.000 1.270 580 F CB 0.998 39.912 39.000 -0.142 0.000 1.024 580 F HN 0.070 8.301 8.300 -0.115 0.000 0.548 581 N N -0.571 118.155 118.700 0.044 0.000 2.240 581 N HA 0.185 nan 4.740 nan 0.000 0.302 581 N C -0.296 175.277 175.510 0.105 0.000 1.106 581 N CA -1.047 52.072 53.050 0.116 0.000 0.778 581 N CB 2.871 41.483 38.487 0.209 0.000 1.431 581 N HN -0.591 7.737 8.380 0.055 0.085 0.479 582 V N 4.696 124.659 119.914 0.081 0.000 3.394 582 V HA -0.148 nan 4.120 nan 0.000 0.340 582 V C -0.992 175.160 176.094 0.097 0.000 1.174 582 V CA -0.098 62.248 62.300 0.077 0.000 1.368 582 V CB -1.883 29.960 31.823 0.033 0.000 1.111 582 V HN 0.417 8.552 8.190 0.066 0.095 0.420 583 Q N 0.000 119.895 119.800 0.159 0.000 2.315 583 Q HA 0.000 nan 4.340 nan 0.000 0.214 583 Q CA 0.000 55.889 55.803 0.143 0.000 1.022 583 Q CB 0.000 28.805 28.738 0.112 0.000 1.108 583 Q HN 0.000 8.278 8.270 0.192 0.107 0.481