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 1gwe_1_A DATA FIRST_RESID 6 DATA SEQUENCE TTPHATGSTR QNGAPAVSDR QSLTVGSEGP IVLHDTHLLE THQHFNRMNI DATA SEQUENCE PERRPHAKGS GAFGEFEVTE DVSKYTKALV FQPGTKTETL LRFSTVAGEL DATA SEQUENCE GSPDTWRDVR GFALRFYTEE GNYDLVGNNT PIFFLRDPMK FTHFIRSQKR DATA SEQUENCE LPDSGLRDAT MQWDFWTNNP ESAHQVTYLM GPRGLPRTWR EMNGYGSHTY DATA SEQUENCE LWVNAQGEKH WVKYHFISQQ GVHNLSNDEA TKIAGENADF HRQDLFESIA DATA SEQUENCE KGDHPKWDLY IQAIPYEEGK TYRFNPFDLT KTISQKDYPR IKVGTLTLNR DATA SEQUENCE NPENHFAQIE SAAFSPSNTV PGIGLSPDRM LLGRAFAYHD AQLYRVGAHV DATA SEQUENCE NQLPVNRPKN AVHNYAFEGQ MWYDHTGDRS TYVPNSNGDS WSDETGPVDD DATA SEQUENCE GWEADGTLTR EAQALRADDD DFGQAGTLVR EVFSDQERDD FVETVAGALK DATA SEQUENCE GVRQDVQARA FEYWKNVDAT IGQRIEDEVK RHEGDGIPGV EAGGEARI 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 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.680 174.700 -0.034 0.000 1.109 6 T CA 0.000 62.086 62.100 -0.023 0.000 1.349 6 T CB 0.000 68.859 68.868 -0.016 0.000 0.612 7 T N 1.193 115.725 114.554 -0.036 0.000 2.927 7 T HA 0.659 5.026 4.350 0.028 0.000 0.281 7 T C -1.921 172.711 174.700 -0.114 0.000 0.998 7 T CA -1.321 60.745 62.100 -0.056 0.000 1.019 7 T CB 1.053 69.907 68.868 -0.023 0.000 1.061 7 T HN 0.111 nan 8.240 nan 0.000 0.518 8 P HA -0.048 nan 4.420 nan 0.000 0.218 8 P C 0.452 177.486 177.300 -0.442 0.000 1.148 8 P CA 1.270 64.131 63.100 -0.398 0.000 0.822 8 P CB -0.118 31.218 31.700 -0.607 0.000 0.784 9 H N -1.905 117.159 119.070 -0.010 0.000 2.487 9 H HA 0.499 5.072 4.556 0.028 0.000 0.290 9 H C 0.538 175.857 175.328 -0.016 0.000 1.081 9 H CA -0.641 55.400 56.048 -0.012 0.000 1.116 9 H CB -0.025 29.730 29.762 -0.012 0.000 1.560 9 H HN 0.065 nan 8.280 nan 0.000 0.548 10 A N 0.976 123.818 122.820 0.036 0.000 2.466 10 A HA 0.195 4.532 4.320 0.028 0.000 0.238 10 A C 1.416 179.008 177.584 0.014 0.000 1.074 10 A CA 0.595 52.642 52.037 0.017 0.000 0.774 10 A CB 0.194 19.190 19.000 -0.007 0.000 1.015 10 A HN 0.524 nan 8.150 nan 0.000 0.498 11 T N -2.490 112.064 114.554 0.000 0.000 3.016 11 T HA 0.495 4.862 4.350 0.028 0.000 0.271 11 T C 1.073 175.767 174.700 -0.010 0.000 0.968 11 T CA 0.961 63.058 62.100 -0.006 0.000 0.891 11 T CB 0.405 69.264 68.868 -0.016 0.000 1.149 11 T HN 2.381 nan 8.240 nan 0.000 0.524 12 G N 1.097 109.890 108.800 -0.011 0.000 2.255 12 G HA2 0.054 4.031 3.960 0.028 0.000 0.196 12 G HA3 0.054 4.031 3.960 0.028 0.000 0.196 12 G C 0.131 175.026 174.900 -0.008 0.000 0.998 12 G CA 0.221 45.317 45.100 -0.007 0.000 0.656 12 G HN 1.634 nan 8.290 nan 0.000 0.490 13 S N -1.102 114.585 115.700 -0.021 0.000 2.615 13 S HA 0.826 5.313 4.470 0.028 0.000 0.268 13 S C -0.645 173.921 174.600 -0.056 0.000 1.146 13 S CA 0.648 58.835 58.200 -0.023 0.000 0.818 13 S CB 1.933 65.132 63.200 -0.003 0.000 1.111 13 S HN 1.791 nan 8.310 nan 0.000 0.465 14 T N -0.967 113.557 114.554 -0.049 0.000 2.926 14 T HA 0.725 5.092 4.350 0.028 0.000 0.289 14 T C -0.084 174.570 174.700 -0.077 0.000 1.054 14 T CA -1.044 61.016 62.100 -0.067 0.000 1.015 14 T CB 1.348 70.201 68.868 -0.025 0.000 1.167 14 T HN 0.798 nan 8.240 nan 0.000 0.526 15 R N 0.233 120.686 120.500 -0.079 0.000 2.668 15 R HA 0.263 4.619 4.340 0.028 0.000 0.268 15 R C 1.761 178.087 176.300 0.044 0.000 1.232 15 R CA -0.564 55.550 56.100 0.023 0.000 1.166 15 R CB 0.193 30.510 30.300 0.028 0.000 1.179 15 R HN 0.750 nan 8.270 nan 0.000 0.606 16 Q N 0.837 120.675 119.800 0.065 0.000 2.291 16 Q HA -0.120 4.237 4.340 0.028 0.000 0.205 16 Q C 1.184 177.201 176.000 0.030 0.000 0.970 16 Q CA 1.085 56.912 55.803 0.040 0.000 0.876 16 Q CB -0.030 28.734 28.738 0.043 0.000 0.935 16 Q HN 0.500 nan 8.270 nan 0.000 0.455 17 N N -0.505 118.212 118.700 0.029 0.000 2.398 17 N HA -0.014 4.743 4.740 0.028 0.000 0.188 17 N C 1.013 176.532 175.510 0.015 0.000 1.122 17 N CA 1.062 54.125 53.050 0.022 0.000 0.866 17 N CB 0.534 39.035 38.487 0.023 0.000 0.970 17 N HN 0.253 nan 8.380 nan 0.000 0.462 18 G N -0.961 107.846 108.800 0.010 0.000 2.176 18 G HA2 -0.224 3.753 3.960 0.028 0.000 0.253 18 G HA3 -0.224 3.753 3.960 0.028 0.000 0.253 18 G C 0.250 175.150 174.900 -0.000 0.000 0.979 18 G CA 0.266 45.369 45.100 0.005 0.000 0.641 18 G HN 0.831 nan 8.290 nan 0.000 0.530 19 A N 0.729 123.547 122.820 -0.003 0.000 2.351 19 A HA 0.714 5.051 4.320 0.028 0.000 0.257 19 A C -1.676 175.889 177.584 -0.032 0.000 1.087 19 A CA -0.937 51.096 52.037 -0.007 0.000 0.798 19 A CB 0.331 19.327 19.000 -0.006 0.000 1.033 19 A HN 0.151 nan 8.150 nan 0.000 0.488 20 P HA 0.099 nan 4.420 nan 0.000 0.264 20 P C 0.439 177.671 177.300 -0.114 0.000 1.183 20 P CA 0.838 63.908 63.100 -0.051 0.000 0.763 20 P CB 0.795 32.489 31.700 -0.011 0.000 0.807 21 A N 3.115 125.816 122.820 -0.198 0.000 2.123 21 A HA 0.072 4.409 4.320 0.028 0.000 0.214 21 A C 1.376 178.796 177.584 -0.273 0.000 1.152 21 A CA 1.239 53.029 52.037 -0.413 0.000 0.728 21 A CB -0.674 17.857 19.000 -0.781 0.000 0.814 21 A HN 0.428 nan 8.150 nan 0.000 0.464 22 V N -2.009 117.826 119.914 -0.132 0.000 0.473 22 V HA -0.245 3.892 4.120 0.028 0.000 0.092 22 V C 0.708 176.783 176.094 -0.032 0.000 2.433 22 V CA 1.861 64.124 62.300 -0.061 0.000 3.661 22 V CB -1.781 30.017 31.823 -0.043 0.000 0.941 22 V HN 1.119 nan 8.190 nan 0.000 0.987 23 S N -0.794 114.896 115.700 -0.016 0.000 2.566 23 S HA 0.501 4.988 4.470 0.028 0.000 0.273 23 S C -0.496 174.183 174.600 0.132 0.000 1.157 23 S CA -0.070 58.153 58.200 0.040 0.000 0.938 23 S CB 2.016 65.240 63.200 0.041 0.000 1.087 23 S HN 0.407 nan 8.310 nan 0.000 0.474 24 D N 3.139 123.609 120.400 0.116 0.000 2.342 24 D HA 0.234 4.891 4.640 0.028 0.000 0.221 24 D C 1.024 177.360 176.300 0.061 0.000 1.101 24 D CA 0.167 54.252 54.000 0.142 0.000 0.837 24 D CB 0.390 41.260 40.800 0.116 0.000 0.938 24 D HN 0.503 nan 8.370 nan 0.000 0.508 25 R N -0.508 120.021 120.500 0.048 0.000 2.556 25 R HA 0.156 4.513 4.340 0.028 0.000 0.276 25 R C 0.110 176.420 176.300 0.015 0.000 0.931 25 R CA -0.128 55.985 56.100 0.022 0.000 1.061 25 R CB 1.268 31.577 30.300 0.016 0.000 1.432 25 R HN -0.048 nan 8.270 nan 0.000 0.547 26 Q N 0.396 120.210 119.800 0.023 0.000 2.345 26 Q HA 0.404 4.760 4.340 0.028 0.000 0.275 26 Q C -0.978 175.030 176.000 0.012 0.000 1.063 26 Q CA -0.383 55.426 55.803 0.010 0.000 0.819 26 Q CB 2.653 31.394 28.738 0.005 0.000 1.356 26 Q HN -0.099 nan 8.270 nan 0.000 0.418 27 S N 0.943 116.640 115.700 -0.005 0.000 2.652 27 S HA 0.433 4.920 4.470 0.028 0.000 0.270 27 S C -0.158 174.425 174.600 -0.030 0.000 1.243 27 S CA -0.648 57.542 58.200 -0.018 0.000 0.999 27 S CB 0.551 63.728 63.200 -0.037 0.000 0.973 27 S HN 0.438 nan 8.310 nan 0.000 0.544 28 L N 3.265 124.456 121.223 -0.054 0.000 2.283 28 L HA 0.421 4.778 4.340 0.028 0.000 0.287 28 L C 0.224 177.044 176.870 -0.083 0.000 1.073 28 L CA 0.375 55.167 54.840 -0.080 0.000 0.822 28 L CB -0.129 41.846 42.059 -0.141 0.000 1.186 28 L HN 0.833 nan 8.230 nan 0.000 0.436 29 T N 1.265 115.788 114.554 -0.053 0.000 2.916 29 T HA 0.570 4.937 4.350 0.028 0.000 0.292 29 T C -0.369 174.318 174.700 -0.023 0.000 1.064 29 T CA -0.884 61.193 62.100 -0.038 0.000 1.011 29 T CB 1.453 70.304 68.868 -0.027 0.000 1.152 29 T HN 0.144 nan 8.240 nan 0.000 0.510 30 V N 2.659 122.566 119.914 -0.012 0.000 2.326 30 V HA 0.556 4.693 4.120 0.028 0.000 0.249 30 V C 1.382 177.475 176.094 -0.002 0.000 1.114 30 V CA 0.775 63.075 62.300 0.000 0.000 1.028 30 V CB -0.878 30.949 31.823 0.007 0.000 1.170 30 V HN 1.496 nan 8.190 nan 0.000 0.494 31 G N 4.789 113.589 108.800 -0.001 0.000 2.888 31 G HA2 -0.222 3.755 3.960 0.028 0.000 0.441 31 G HA3 -0.222 3.755 3.960 0.028 0.000 0.441 31 G C 0.901 175.797 174.900 -0.005 0.000 1.461 31 G CA 0.029 45.128 45.100 -0.002 0.000 0.897 31 G HN 1.208 nan 8.290 nan 0.000 0.547 32 S N -0.947 114.750 115.700 -0.005 0.000 2.399 32 S HA -0.059 4.428 4.470 0.028 0.000 0.231 32 S C 1.483 176.078 174.600 -0.008 0.000 1.022 32 S CA 2.029 60.225 58.200 -0.006 0.000 0.983 32 S CB 0.003 63.200 63.200 -0.005 0.000 0.803 32 S HN 0.676 nan 8.310 nan 0.000 0.480 33 E N 1.364 121.560 120.200 -0.006 0.000 2.472 33 E HA 0.311 4.678 4.350 0.028 0.000 0.196 33 E C 1.059 177.654 176.600 -0.008 0.000 1.033 33 E CA 0.356 56.752 56.400 -0.007 0.000 0.886 33 E CB -0.006 29.691 29.700 -0.005 0.000 0.944 33 E HN 0.595 nan 8.360 nan 0.000 0.492 34 G N 2.700 111.495 108.800 -0.008 0.000 2.557 34 G HA2 0.376 4.353 3.960 0.028 0.000 0.292 34 G HA3 0.376 4.353 3.960 0.028 0.000 0.292 34 G C -2.306 172.586 174.900 -0.013 0.000 1.237 34 G CA -0.986 44.109 45.100 -0.008 0.000 0.978 34 G HN -0.081 nan 8.290 nan 0.000 0.498 35 P HA 0.249 nan 4.420 nan 0.000 0.274 35 P C -0.146 177.138 177.300 -0.026 0.000 1.246 35 P CA -0.295 62.794 63.100 -0.017 0.000 0.795 35 P CB 1.146 32.840 31.700 -0.011 0.000 1.006 36 I N 0.964 121.512 120.570 -0.036 0.000 2.588 36 I HA 0.040 4.227 4.170 0.028 0.000 0.283 36 I C 1.035 177.124 176.117 -0.047 0.000 1.119 36 I CA -0.566 60.703 61.300 -0.052 0.000 1.419 36 I CB 0.719 38.682 38.000 -0.063 0.000 1.394 36 I HN 0.141 nan 8.210 nan 0.000 0.562 37 V N 5.263 125.133 119.914 -0.074 0.000 2.834 37 V HA 0.117 4.254 4.120 0.028 0.000 0.301 37 V C 0.954 177.022 176.094 -0.044 0.000 1.066 37 V CA -0.658 61.611 62.300 -0.051 0.000 1.052 37 V CB 1.540 33.300 31.823 -0.105 0.000 1.021 37 V HN 0.755 nan 8.190 nan 0.000 0.480 38 L N 3.089 124.341 121.223 0.047 0.000 2.127 38 L HA -0.127 4.230 4.340 0.028 0.000 0.211 38 L C 2.224 179.141 176.870 0.077 0.000 1.089 38 L CA 2.271 57.144 54.840 0.055 0.000 0.757 38 L CB -1.077 41.028 42.059 0.075 0.000 0.899 38 L HN 1.038 nan 8.230 nan 0.000 0.434 39 H N -2.131 116.942 119.070 0.006 0.000 2.592 39 H HA 0.114 4.687 4.556 0.027 0.000 0.291 39 H C -0.112 175.228 175.328 0.021 0.000 1.052 39 H CA -0.167 55.889 56.048 0.013 0.000 1.175 39 H CB -1.025 28.743 29.762 0.011 0.000 1.378 39 H HN 0.278 nan 8.280 nan 0.000 0.576 40 D N 2.771 123.082 120.400 -0.147 0.000 2.498 40 D HA -0.040 4.617 4.640 0.028 0.000 0.229 40 D C 1.269 177.577 176.300 0.013 0.000 1.188 40 D CA 0.188 54.134 54.000 -0.089 0.000 1.028 40 D CB 0.440 41.187 40.800 -0.088 0.000 1.087 40 D HN 0.518 nan 8.370 nan 0.000 0.510 41 T N 0.056 114.644 114.554 0.058 0.000 2.915 41 T HA -0.203 4.164 4.350 0.028 0.000 0.269 41 T C 1.761 176.538 174.700 0.129 0.000 1.071 41 T CA 0.980 63.133 62.100 0.089 0.000 1.132 41 T CB -0.229 68.697 68.868 0.096 0.000 0.878 41 T HN 0.366 nan 8.240 nan 0.000 0.479 42 H N 0.880 119.962 119.070 0.020 0.000 2.363 42 H HA 0.222 4.795 4.556 0.029 0.000 0.301 42 H C 1.973 177.328 175.328 0.045 0.000 1.074 42 H CA 1.125 57.189 56.048 0.026 0.000 1.354 42 H CB -0.612 29.158 29.762 0.013 0.000 1.397 42 H HN 0.287 nan 8.280 nan 0.000 0.516 43 L N 0.009 121.231 121.223 -0.001 0.000 2.012 43 L HA -0.141 4.216 4.340 0.028 0.000 0.210 43 L C 2.166 179.068 176.870 0.052 0.000 1.073 43 L CA 1.526 56.363 54.840 -0.004 0.000 0.748 43 L CB -0.670 41.380 42.059 -0.014 0.000 0.891 43 L HN 0.344 nan 8.230 nan 0.000 0.431 44 L N -0.864 120.381 121.223 0.037 0.000 1.994 44 L HA -0.229 4.128 4.340 0.028 0.000 0.208 44 L C 2.554 179.470 176.870 0.078 0.000 1.071 44 L CA 1.700 56.574 54.840 0.056 0.000 0.745 44 L CB -0.664 41.423 42.059 0.048 0.000 0.892 44 L HN 0.329 nan 8.230 nan 0.000 0.431 45 E N -0.387 119.852 120.200 0.065 0.000 2.051 45 E HA -0.222 4.145 4.350 0.028 0.000 0.192 45 E C 2.153 178.792 176.600 0.066 0.000 0.991 45 E CA 1.976 58.423 56.400 0.079 0.000 0.799 45 E CB -0.160 29.598 29.700 0.097 0.000 0.748 45 E HN 0.625 nan 8.360 nan 0.000 0.449 46 T N -1.176 113.356 114.554 -0.037 0.000 2.821 46 T HA -0.160 4.207 4.350 0.028 0.000 0.267 46 T C 1.803 176.467 174.700 -0.059 0.000 1.046 46 T CA 1.072 63.118 62.100 -0.090 0.000 1.139 46 T CB -0.363 68.326 68.868 -0.297 0.000 0.871 46 T HN 0.216 nan 8.240 nan 0.000 0.454 47 H N 1.368 120.415 119.070 -0.038 0.000 2.363 47 H HA 0.080 4.652 4.556 0.026 0.000 0.301 47 H C 2.608 177.993 175.328 0.095 0.000 1.074 47 H CA 1.556 57.601 56.048 -0.005 0.000 1.354 47 H CB -0.009 29.716 29.762 -0.061 0.000 1.397 47 H HN 0.550 nan 8.280 nan 0.000 0.516 48 Q N -0.345 119.560 119.800 0.175 0.000 2.170 48 Q HA -0.175 4.182 4.340 0.028 0.000 0.203 48 Q C 2.071 178.122 176.000 0.085 0.000 0.976 48 Q CA 1.223 57.098 55.803 0.122 0.000 0.858 48 Q CB -0.048 28.748 28.738 0.097 0.000 0.907 48 Q HN 0.532 nan 8.270 nan 0.000 0.433 49 H N -0.147 118.965 119.070 0.070 0.000 2.333 49 H HA -0.119 4.457 4.556 0.033 0.000 0.302 49 H C 1.640 177.002 175.328 0.057 0.000 1.075 49 H CA 1.441 57.516 56.048 0.045 0.000 1.348 49 H CB -0.228 29.550 29.762 0.027 0.000 1.393 49 H HN 0.225 nan 8.280 nan 0.000 0.509 50 F N 1.234 121.139 119.950 -0.076 0.000 2.115 50 F HA -0.289 4.256 4.527 0.031 0.000 0.300 50 F C 1.721 177.437 175.800 -0.140 0.000 1.092 50 F CA 1.755 59.682 58.000 -0.121 0.000 1.245 50 F CB -0.290 38.611 39.000 -0.165 0.000 0.995 50 F HN 0.188 nan 8.300 nan 0.000 0.481 51 N N 0.427 119.181 118.700 0.091 0.000 2.550 51 N HA -0.056 4.700 4.740 0.028 0.000 0.186 51 N C 0.893 176.325 175.510 -0.130 0.000 1.110 51 N CA 0.811 53.860 53.050 -0.002 0.000 0.912 51 N CB -0.213 38.331 38.487 0.095 0.000 0.968 51 N HN 0.444 nan 8.380 nan 0.000 0.448 52 R N -0.877 119.483 120.500 -0.234 0.000 2.596 52 R HA 0.355 4.712 4.340 0.028 0.000 0.369 52 R C 1.291 177.372 176.300 -0.365 0.000 1.042 52 R CA -0.139 55.801 56.100 -0.267 0.000 1.120 52 R CB 0.301 30.458 30.300 -0.239 0.000 1.353 52 R HN 0.118 nan 8.270 nan 0.000 0.564 53 M N 0.320 119.677 119.600 -0.406 0.000 2.132 53 M HA -0.040 4.457 4.480 0.028 0.000 0.263 53 M C 0.207 176.336 176.300 -0.285 0.000 1.065 53 M CA 1.247 56.311 55.300 -0.393 0.000 1.122 53 M CB -0.093 32.265 32.600 -0.403 0.000 1.365 53 M HN 0.048 nan 8.290 nan 0.000 0.411 54 N N 1.867 120.436 118.700 -0.219 0.000 2.518 54 N HA 0.304 5.061 4.740 0.028 0.000 0.266 54 N C -0.552 174.936 175.510 -0.037 0.000 1.196 54 N CA 0.081 53.072 53.050 -0.099 0.000 0.947 54 N CB 0.603 39.025 38.487 -0.108 0.000 1.098 54 N HN 0.266 nan 8.380 nan 0.000 0.450 55 I N -1.808 118.791 120.570 0.048 0.000 2.892 55 I HA 0.659 4.846 4.170 0.028 0.000 0.306 55 I C -2.443 173.666 176.117 -0.013 0.000 1.078 55 I CA -2.550 58.757 61.300 0.012 0.000 1.032 55 I CB 1.879 39.924 38.000 0.075 0.000 1.229 55 I HN 0.189 nan 8.210 nan 0.000 0.435 56 P HA 0.041 nan 4.420 nan 0.000 0.262 56 P C -0.864 176.443 177.300 0.012 0.000 1.182 56 P CA 0.077 63.162 63.100 -0.024 0.000 0.761 56 P CB 0.356 32.027 31.700 -0.048 0.000 0.795 57 E N 3.152 123.373 120.200 0.035 0.000 2.392 57 E HA 0.127 4.494 4.350 0.028 0.000 0.259 57 E C -0.422 176.205 176.600 0.045 0.000 1.108 57 E CA -0.736 55.688 56.400 0.041 0.000 0.916 57 E CB 0.603 30.330 29.700 0.044 0.000 0.989 57 E HN 0.277 nan 8.360 nan 0.000 0.432 58 R N 0.882 121.409 120.500 0.046 0.000 2.698 58 R HA 0.071 4.428 4.340 0.028 0.000 0.266 58 R C 0.229 176.567 176.300 0.062 0.000 1.026 58 R CA 0.242 56.373 56.100 0.053 0.000 1.102 58 R CB 0.386 30.728 30.300 0.070 0.000 0.978 58 R HN 0.501 nan 8.270 nan 0.000 0.436 59 R N 3.597 124.129 120.500 0.054 0.000 2.451 59 R HA 0.319 4.676 4.340 0.028 0.000 0.307 59 R C -2.282 174.071 176.300 0.088 0.000 0.965 59 R CA -1.700 54.431 56.100 0.050 0.000 0.865 59 R CB 1.049 31.362 30.300 0.021 0.000 1.174 59 R HN 0.464 nan 8.270 nan 0.000 0.455 60 P HA 0.220 nan 4.420 nan 0.000 0.318 60 P C -0.859 176.602 177.300 0.268 0.000 1.309 60 P CA -0.079 63.110 63.100 0.148 0.000 0.736 60 P CB 0.378 32.155 31.700 0.128 0.000 1.440 61 H N -3.095 116.030 119.070 0.093 0.000 2.941 61 H HA -0.135 4.437 4.556 0.027 0.000 0.279 61 H C 1.147 176.515 175.328 0.067 0.000 1.247 61 H CA 0.394 56.498 56.048 0.094 0.000 1.129 61 H CB -1.732 28.081 29.762 0.086 0.000 1.313 61 H HN 0.518 nan 8.280 nan 0.000 0.384 62 A N 0.663 123.564 122.820 0.136 0.000 1.908 62 A HA -0.128 4.209 4.320 0.028 0.000 0.218 62 A C 1.542 179.190 177.584 0.106 0.000 1.181 62 A CA 1.723 53.819 52.037 0.098 0.000 0.627 62 A CB -0.010 19.028 19.000 0.062 0.000 0.818 62 A HN 0.224 nan 8.150 nan 0.000 0.445 63 K N -0.017 120.450 120.400 0.111 0.000 2.264 63 K HA 0.521 4.858 4.320 0.028 0.000 0.277 63 K C -0.116 176.613 176.600 0.214 0.000 1.067 63 K CA 0.683 57.046 56.287 0.128 0.000 0.900 63 K CB 0.496 33.034 32.500 0.062 0.000 1.124 63 K HN 0.437 nan 8.250 nan 0.000 0.469 64 G N 0.529 109.475 108.800 0.245 0.000 2.495 64 G HA2 0.516 4.493 3.960 0.028 0.000 0.294 64 G HA3 0.516 4.493 3.960 0.028 0.000 0.294 64 G C -1.533 173.551 174.900 0.307 0.000 1.397 64 G CA -0.498 44.751 45.100 0.250 0.000 0.790 64 G HN 0.570 nan 8.290 nan 0.000 0.486 65 S N -2.417 113.386 115.700 0.172 0.000 2.672 65 S HA 0.935 5.422 4.470 0.028 0.000 0.271 65 S C -0.197 174.410 174.600 0.011 0.000 1.171 65 S CA 0.569 58.938 58.200 0.281 0.000 0.817 65 S CB 1.373 64.925 63.200 0.587 0.000 1.150 65 S HN 2.328 nan 8.310 nan 0.000 0.478 66 G N -0.028 108.820 108.800 0.078 0.000 2.489 66 G HA2 0.822 4.799 3.960 0.028 0.000 0.305 66 G HA3 0.822 4.799 3.960 0.028 0.000 0.305 66 G C -1.441 173.427 174.900 -0.053 0.000 1.311 66 G CA 0.175 45.211 45.100 -0.106 0.000 0.813 66 G HN 1.470 nan 8.290 nan 0.000 0.480 67 A N -1.303 121.376 122.820 -0.234 0.000 2.610 67 A HA 0.808 5.145 4.320 0.028 0.000 0.291 67 A C -1.677 175.691 177.584 -0.361 0.000 1.086 67 A CA -0.712 51.225 52.037 -0.166 0.000 0.677 67 A CB 0.833 19.849 19.000 0.026 0.000 1.278 67 A HN 0.841 nan 8.150 nan 0.000 0.414 68 F N 0.254 120.167 119.950 -0.062 0.000 2.378 68 F HA 0.747 5.290 4.527 0.027 0.000 0.325 68 F C 1.250 177.006 175.800 -0.074 0.000 1.097 68 F CA 1.078 59.036 58.000 -0.069 0.000 1.079 68 F CB 2.087 41.050 39.000 -0.062 0.000 1.240 68 F HN 0.993 nan 8.300 nan 0.000 0.519 69 G N 0.340 109.221 108.800 0.134 0.000 2.588 69 G HA2 0.462 4.439 3.960 0.028 0.000 0.281 69 G HA3 0.462 4.439 3.960 0.028 0.000 0.281 69 G C -2.022 172.925 174.900 0.078 0.000 1.223 69 G CA -0.646 44.488 45.100 0.058 0.000 0.871 69 G HN 0.593 nan 8.290 nan 0.000 0.492 70 E N -1.115 119.138 120.200 0.088 0.000 2.343 70 E HA 0.583 4.950 4.350 0.028 0.000 0.278 70 E C -2.079 174.650 176.600 0.216 0.000 0.910 70 E CA -0.774 55.707 56.400 0.135 0.000 0.757 70 E CB 2.523 32.275 29.700 0.087 0.000 1.218 70 E HN 0.320 nan 8.360 nan 0.000 0.435 71 F N 2.693 122.744 119.950 0.167 0.000 2.436 71 F HA 0.387 4.932 4.527 0.029 0.000 0.340 71 F C -0.614 175.332 175.800 0.242 0.000 1.113 71 F CA -0.505 57.658 58.000 0.272 0.000 1.022 71 F CB 1.444 40.743 39.000 0.497 0.000 1.128 71 F HN 0.445 nan 8.300 nan 0.000 0.466 72 E N 5.508 125.390 120.200 -0.529 0.000 2.191 72 E HA 0.425 4.792 4.350 0.028 0.000 0.263 72 E C -1.563 174.769 176.600 -0.446 0.000 0.881 72 E CA -0.781 55.445 56.400 -0.291 0.000 0.757 72 E CB 1.636 31.241 29.700 -0.160 0.000 1.147 72 E HN 0.499 nan 8.360 nan 0.000 0.414 73 V N 4.202 124.092 119.914 -0.041 0.000 2.508 73 V HA 0.080 4.217 4.120 0.028 0.000 0.281 73 V C 1.201 177.311 176.094 0.028 0.000 1.041 73 V CA 0.718 63.084 62.300 0.110 0.000 1.016 73 V CB 1.054 33.041 31.823 0.273 0.000 0.984 73 V HN 0.930 nan 8.190 nan 0.000 0.478 74 T N 0.093 114.656 114.554 0.015 0.000 3.043 74 T HA 0.342 4.709 4.350 0.028 0.000 0.272 74 T C 0.268 174.985 174.700 0.029 0.000 0.990 74 T CA -0.286 61.818 62.100 0.007 0.000 0.897 74 T CB 0.433 69.287 68.868 -0.024 0.000 1.111 74 T HN 0.547 nan 8.240 nan 0.000 0.529 75 E N 1.073 121.306 120.200 0.055 0.000 2.393 75 E HA 0.475 4.842 4.350 0.028 0.000 0.265 75 E C -1.611 175.037 176.600 0.080 0.000 0.941 75 E CA -0.636 55.801 56.400 0.062 0.000 0.801 75 E CB 1.654 31.391 29.700 0.061 0.000 1.313 75 E HN 0.095 nan 8.360 nan 0.000 0.435 76 D N 1.200 121.644 120.400 0.074 0.000 2.460 76 D HA 0.213 4.870 4.640 0.028 0.000 0.232 76 D C 0.072 176.428 176.300 0.093 0.000 1.079 76 D CA -0.482 53.559 54.000 0.068 0.000 0.864 76 D CB 0.773 41.594 40.800 0.035 0.000 1.048 76 D HN 0.199 nan 8.370 nan 0.000 0.523 77 V N 1.747 121.742 119.914 0.134 0.000 3.121 77 V HA 0.156 4.293 4.120 0.028 0.000 0.344 77 V C 1.550 177.722 176.094 0.130 0.000 1.390 77 V CA 0.385 62.828 62.300 0.238 0.000 1.177 77 V CB -0.321 31.741 31.823 0.398 0.000 1.163 77 V HN 0.417 nan 8.190 nan 0.000 0.484 78 S N 1.650 117.364 115.700 0.023 0.000 2.442 78 S HA -0.235 4.252 4.470 0.028 0.000 0.236 78 S C 1.802 176.355 174.600 -0.079 0.000 1.007 78 S CA 1.462 59.644 58.200 -0.030 0.000 0.965 78 S CB -0.563 62.617 63.200 -0.033 0.000 0.773 78 S HN 0.907 nan 8.310 nan 0.000 0.504 79 K N 0.191 120.485 120.400 -0.177 0.000 2.362 79 K HA -0.066 4.271 4.320 0.028 0.000 0.200 79 K C 1.264 177.675 176.600 -0.315 0.000 1.046 79 K CA 1.118 57.231 56.287 -0.290 0.000 0.952 79 K CB -0.448 31.794 32.500 -0.429 0.000 0.753 79 K HN 0.570 nan 8.250 nan 0.000 0.466 80 Y N 0.527 120.826 120.300 -0.002 0.000 2.522 80 Y HA 0.150 4.717 4.550 0.028 0.000 0.277 80 Y C 1.008 176.973 175.900 0.109 0.000 1.104 80 Y CA 0.050 58.177 58.100 0.045 0.000 1.260 80 Y CB 1.013 39.565 38.460 0.154 0.000 1.151 80 Y HN -0.006 nan 8.280 nan 0.000 0.539 81 T N 0.156 114.749 114.554 0.065 0.000 2.933 81 T HA 0.225 4.592 4.350 0.028 0.000 0.305 81 T C 0.042 174.627 174.700 -0.191 0.000 1.092 81 T CA -0.882 61.094 62.100 -0.206 0.000 1.008 81 T CB 1.362 69.715 68.868 -0.858 0.000 1.102 81 T HN 0.292 nan 8.240 nan 0.000 0.469 82 K N 2.324 122.615 120.400 -0.182 0.000 2.404 82 K HA 0.511 4.848 4.320 0.028 0.000 0.194 82 K C 0.767 177.247 176.600 -0.199 0.000 1.023 82 K CA -0.260 55.936 56.287 -0.152 0.000 1.094 82 K CB 0.234 32.667 32.500 -0.111 0.000 0.841 82 K HN 0.483 nan 8.250 nan 0.000 0.523 83 A N 1.871 124.509 122.820 -0.304 0.000 2.520 83 A HA 0.115 4.452 4.320 0.028 0.000 0.245 83 A C 1.176 178.580 177.584 -0.299 0.000 1.072 83 A CA -0.345 51.479 52.037 -0.355 0.000 0.761 83 A CB 0.000 18.672 19.000 -0.547 0.000 1.004 83 A HN 0.389 nan 8.150 nan 0.000 0.499 84 L N 3.372 124.442 121.223 -0.254 0.000 2.042 84 L HA -0.164 4.193 4.340 0.028 0.000 0.210 84 L C 2.508 179.250 176.870 -0.214 0.000 1.076 84 L CA 1.553 56.283 54.840 -0.184 0.000 0.749 84 L CB -0.684 41.294 42.059 -0.135 0.000 0.893 84 L HN 0.690 nan 8.230 nan 0.000 0.432 85 V N -0.481 119.202 119.914 -0.385 0.000 2.568 85 V HA -0.259 3.877 4.120 0.028 0.000 0.253 85 V C 1.573 177.417 176.094 -0.417 0.000 1.072 85 V CA 1.756 63.763 62.300 -0.488 0.000 1.084 85 V CB -0.320 30.971 31.823 -0.886 0.000 0.676 85 V HN 0.316 nan 8.190 nan 0.000 0.469 86 F N -0.220 119.615 119.950 -0.191 0.000 2.639 86 F HA 0.436 4.980 4.527 0.028 0.000 0.302 86 F C 1.025 176.781 175.800 -0.074 0.000 1.097 86 F CA -1.117 56.809 58.000 -0.124 0.000 1.294 86 F CB -0.316 38.514 39.000 -0.283 0.000 1.027 86 F HN 0.168 nan 8.300 nan 0.000 0.550 87 Q N 1.140 120.974 119.800 0.058 0.000 2.368 87 Q HA 0.221 4.578 4.340 0.028 0.000 0.237 87 Q C -2.239 173.807 176.000 0.076 0.000 0.987 87 Q CA -2.225 53.601 55.803 0.038 0.000 0.896 87 Q CB 0.011 28.743 28.738 -0.010 0.000 1.241 87 Q HN -0.003 nan 8.270 nan 0.000 0.485 88 P HA -0.057 nan 4.420 nan 0.000 0.261 88 P C 0.575 177.908 177.300 0.055 0.000 1.173 88 P CA 1.453 64.589 63.100 0.059 0.000 0.760 88 P CB 0.234 31.954 31.700 0.035 0.000 0.783 89 G N 1.829 110.666 108.800 0.062 0.000 2.184 89 G HA2 -0.252 3.725 3.960 0.028 0.000 0.264 89 G HA3 -0.252 3.725 3.960 0.028 0.000 0.264 89 G C 0.340 175.276 174.900 0.060 0.000 0.975 89 G CA 0.311 45.440 45.100 0.048 0.000 0.642 89 G HN 0.590 nan 8.290 nan 0.000 0.536 90 T N 1.623 116.229 114.554 0.088 0.000 2.870 90 T HA 0.460 4.827 4.350 0.028 0.000 0.300 90 T C 0.366 175.144 174.700 0.131 0.000 0.989 90 T CA 0.377 62.534 62.100 0.095 0.000 1.139 90 T CB 1.192 70.115 68.868 0.092 0.000 0.920 90 T HN 0.363 nan 8.240 nan 0.000 0.537 91 K N 2.426 122.891 120.400 0.108 0.000 2.244 91 K HA 0.560 4.897 4.320 0.028 0.000 0.260 91 K C -0.540 176.153 176.600 0.155 0.000 0.951 91 K CA -0.683 55.681 56.287 0.128 0.000 0.826 91 K CB 1.701 34.247 32.500 0.076 0.000 1.108 91 K HN 0.494 nan 8.250 nan 0.000 0.433 92 T N 1.343 116.038 114.554 0.235 0.000 2.921 92 T HA 0.122 4.489 4.350 0.028 0.000 0.297 92 T C -0.878 173.972 174.700 0.251 0.000 1.013 92 T CA -0.770 61.478 62.100 0.247 0.000 0.990 92 T CB 1.697 70.758 68.868 0.323 0.000 1.023 92 T HN 0.549 nan 8.240 nan 0.000 0.447 93 E N 2.090 122.413 120.200 0.204 0.000 2.392 93 E HA 0.329 4.696 4.350 0.028 0.000 0.264 93 E C -0.168 176.612 176.600 0.299 0.000 1.024 93 E CA -0.141 56.379 56.400 0.200 0.000 0.903 93 E CB 0.564 30.326 29.700 0.103 0.000 0.963 93 E HN 0.750 nan 8.360 nan 0.000 0.432 94 T N 1.487 116.171 114.554 0.216 0.000 2.901 94 T HA 0.588 4.955 4.350 0.028 0.000 0.293 94 T C -0.960 173.816 174.700 0.127 0.000 1.084 94 T CA -1.049 61.085 62.100 0.056 0.000 1.008 94 T CB 1.433 70.165 68.868 -0.226 0.000 1.170 94 T HN 0.320 nan 8.240 nan 0.000 0.509 95 L N 1.506 122.672 121.223 -0.096 0.000 2.410 95 L HA 0.861 5.218 4.340 0.028 0.000 0.270 95 L C -1.975 174.626 176.870 -0.448 0.000 0.983 95 L CA -1.032 53.617 54.840 -0.318 0.000 0.822 95 L CB 1.812 43.706 42.059 -0.274 0.000 1.285 95 L HN 0.830 nan 8.230 nan 0.000 0.409 96 L N 4.899 125.746 121.223 -0.628 0.000 2.376 96 L HA 0.637 4.994 4.340 0.028 0.000 0.275 96 L C -0.938 175.354 176.870 -0.964 0.000 0.987 96 L CA -0.319 53.950 54.840 -0.951 0.000 0.828 96 L CB 1.463 42.768 42.059 -1.256 0.000 1.249 96 L HN 0.812 nan 8.230 nan 0.000 0.409 97 R N 4.326 124.244 120.500 -0.970 0.000 2.338 97 R HA 0.609 4.966 4.340 0.028 0.000 0.317 97 R C -1.437 174.257 176.300 -1.011 0.000 0.968 97 R CA -0.408 55.211 56.100 -0.802 0.000 0.849 97 R CB 0.787 30.820 30.300 -0.445 0.000 1.128 97 R HN 0.567 nan 8.270 nan 0.000 0.448 98 F N 1.705 121.156 119.950 -0.832 0.000 2.440 98 F HA 0.528 5.072 4.527 0.028 0.000 0.328 98 F C 0.383 175.733 175.800 -0.751 0.000 1.070 98 F CA -0.286 57.090 58.000 -1.039 0.000 1.011 98 F CB 2.170 39.899 39.000 -2.119 0.000 1.226 98 F HN 0.630 nan 8.300 nan 0.000 0.491 99 S N -1.259 114.364 115.700 -0.129 0.000 2.595 99 S HA 0.538 5.024 4.470 0.028 0.000 0.270 99 S C -0.665 174.140 174.600 0.341 0.000 1.145 99 S CA -0.962 57.347 58.200 0.181 0.000 0.825 99 S CB 1.103 64.439 63.200 0.226 0.000 1.107 99 S HN 0.746 nan 8.310 nan 0.000 0.461 100 T N -1.070 113.679 114.554 0.325 0.000 2.833 100 T HA 0.665 5.032 4.350 0.028 0.000 0.312 100 T C 0.921 175.632 174.700 0.019 0.000 1.085 100 T CA -0.006 62.240 62.100 0.242 0.000 0.955 100 T CB 0.178 69.193 68.868 0.246 0.000 1.353 100 T HN 0.674 nan 8.240 nan 0.000 0.544 101 V N -0.281 119.608 119.914 -0.041 0.000 2.950 101 V HA 0.332 4.468 4.120 0.028 0.000 0.231 101 V C 2.755 178.800 176.094 -0.082 0.000 1.205 101 V CA 0.777 62.923 62.300 -0.257 0.000 1.239 101 V CB -0.860 30.875 31.823 -0.147 0.000 1.050 101 V HN 1.011 nan 8.190 nan 0.000 0.498 102 A N 0.446 123.275 122.820 0.015 0.000 1.903 102 A HA 0.357 4.694 4.320 0.028 0.000 0.213 102 A C 1.579 179.215 177.584 0.087 0.000 1.185 102 A CA 1.073 53.111 52.037 0.003 0.000 0.628 102 A CB -0.898 18.103 19.000 0.002 0.000 0.830 102 A HN 0.551 nan 8.150 nan 0.000 0.446 103 G N -0.043 108.866 108.800 0.183 0.000 2.569 103 G HA2 0.442 4.419 3.960 0.028 0.000 0.249 103 G HA3 0.442 4.419 3.960 0.028 0.000 0.249 103 G C -0.271 174.643 174.900 0.022 0.000 1.216 103 G CA -0.281 44.905 45.100 0.143 0.000 0.845 103 G HN 0.423 nan 8.290 nan 0.000 0.568 104 E N -0.829 119.370 120.200 -0.001 0.000 2.849 104 E HA 0.394 4.760 4.350 0.028 0.000 0.257 104 E C 0.234 176.819 176.600 -0.026 0.000 1.306 104 E CA -0.838 55.563 56.400 0.000 0.000 1.058 104 E CB 0.474 30.182 29.700 0.015 0.000 1.249 104 E HN 0.332 nan 8.360 nan 0.000 0.638 105 L N 0.772 121.996 121.223 0.000 0.000 2.514 105 L HA 0.201 4.558 4.340 0.028 0.000 0.280 105 L C 1.295 178.145 176.870 -0.033 0.000 1.223 105 L CA 1.951 56.794 54.840 0.005 0.000 0.864 105 L CB -0.161 41.916 42.059 0.031 0.000 1.118 105 L HN 0.690 nan 8.230 nan 0.000 0.494 106 G N 1.941 110.715 108.800 -0.044 0.000 2.284 106 G HA2 -0.330 3.647 3.960 0.028 0.000 0.261 106 G HA3 -0.330 3.647 3.960 0.028 0.000 0.261 106 G C 0.408 175.217 174.900 -0.153 0.000 0.997 106 G CA 0.513 45.568 45.100 -0.074 0.000 0.621 106 G HN 1.157 nan 8.290 nan 0.000 0.534 107 S N 1.228 116.786 115.700 -0.237 0.000 2.563 107 S HA 0.460 4.947 4.470 0.028 0.000 0.284 107 S C -2.007 172.235 174.600 -0.596 0.000 1.331 107 S CA -0.507 57.368 58.200 -0.542 0.000 1.047 107 S CB 1.190 63.896 63.200 -0.824 0.000 0.859 107 S HN 0.261 nan 8.310 nan 0.000 0.514 108 P HA 0.145 nan 4.420 nan 0.000 0.266 108 P C 0.163 177.172 177.300 -0.485 0.000 1.195 108 P CA -0.084 62.684 63.100 -0.553 0.000 0.768 108 P CB 0.350 31.776 31.700 -0.457 0.000 0.838 109 D N 0.713 120.967 120.400 -0.242 0.000 2.218 109 D HA -0.095 4.562 4.640 0.028 0.000 0.204 109 D C 1.286 177.519 176.300 -0.112 0.000 0.976 109 D CA 1.641 55.560 54.000 -0.136 0.000 0.853 109 D CB -0.367 40.282 40.800 -0.250 0.000 0.939 109 D HN 0.420 nan 8.370 nan 0.000 0.481 110 T N -2.610 111.873 114.554 -0.118 0.000 3.223 110 T HA 0.066 4.433 4.350 0.028 0.000 0.259 110 T C 0.305 175.166 174.700 0.268 0.000 1.015 110 T CA -0.767 61.350 62.100 0.027 0.000 0.908 110 T CB -0.350 68.491 68.868 -0.045 0.000 1.054 110 T HN -0.102 nan 8.240 nan 0.000 0.567 111 W N 2.802 124.143 121.300 0.068 0.000 2.137 111 W HA 0.372 5.048 4.660 0.028 0.000 0.344 111 W C 1.031 177.627 176.519 0.128 0.000 1.286 111 W CA -1.988 55.408 57.345 0.084 0.000 1.240 111 W CB 0.249 29.755 29.460 0.077 0.000 1.141 111 W HN 0.225 nan 8.180 nan 0.000 0.579 112 R N 2.642 123.323 120.500 0.300 0.000 2.489 112 R HA 0.152 4.509 4.340 0.028 0.000 0.287 112 R C -0.723 175.754 176.300 0.294 0.000 1.053 112 R CA 0.650 56.903 56.100 0.255 0.000 1.036 112 R CB 0.160 30.568 30.300 0.180 0.000 0.966 112 R HN 0.426 nan 8.270 nan 0.000 0.432 113 D N 1.816 122.409 120.400 0.323 0.000 2.798 113 D HA 0.083 4.740 4.640 0.028 0.000 0.265 113 D C -1.168 175.355 176.300 0.371 0.000 1.223 113 D CA -0.463 53.744 54.000 0.345 0.000 0.743 113 D CB 1.446 42.444 40.800 0.330 0.000 1.276 113 D HN 0.207 nan 8.370 nan 0.000 0.421 114 V N 1.663 121.819 119.914 0.404 0.000 2.872 114 V HA 0.265 4.402 4.120 0.028 0.000 0.307 114 V C 0.539 176.855 176.094 0.370 0.000 1.072 114 V CA 0.437 62.980 62.300 0.404 0.000 1.148 114 V CB 0.683 32.793 31.823 0.477 0.000 0.954 114 V HN 0.392 nan 8.190 nan 0.000 0.490 115 R N 1.977 122.712 120.500 0.393 0.000 2.514 115 R HA 0.605 4.962 4.340 0.028 0.000 0.301 115 R C 0.263 176.808 176.300 0.409 0.000 0.962 115 R CA -0.070 56.268 56.100 0.398 0.000 0.882 115 R CB 1.619 32.172 30.300 0.423 0.000 1.143 115 R HN 0.924 nan 8.270 nan 0.000 0.452 116 G N 0.966 110.019 108.800 0.422 0.000 2.503 116 G HA2 0.364 4.341 3.960 0.028 0.000 0.257 116 G HA3 0.364 4.341 3.960 0.028 0.000 0.257 116 G C -1.131 173.840 174.900 0.118 0.000 1.214 116 G CA -0.077 45.196 45.100 0.287 0.000 0.839 116 G HN 0.499 nan 8.290 nan 0.000 0.559 117 F N 1.844 121.653 119.950 -0.235 0.000 2.872 117 F HA 0.551 5.095 4.527 0.028 0.000 0.365 117 F C 0.223 175.630 175.800 -0.655 0.000 1.296 117 F CA -0.964 56.767 58.000 -0.448 0.000 1.199 117 F CB 0.741 39.562 39.000 -0.299 0.000 1.687 117 F HN 0.626 nan 8.300 nan 0.000 0.604 118 A N 4.494 126.776 122.820 -0.897 0.000 2.294 118 A HA 0.646 4.983 4.320 0.028 0.000 0.316 118 A C -1.574 175.262 177.584 -1.248 0.000 1.359 118 A CA -0.430 50.930 52.037 -1.128 0.000 0.956 118 A CB 0.431 18.461 19.000 -1.615 0.000 1.155 118 A HN 0.582 nan 8.150 nan 0.000 0.544 119 L N 3.118 123.822 121.223 -0.864 0.000 2.319 119 L HA 0.591 4.947 4.340 0.028 0.000 0.281 119 L C 0.026 176.599 176.870 -0.494 0.000 1.005 119 L CA -0.349 54.031 54.840 -0.768 0.000 0.828 119 L CB 1.395 42.928 42.059 -0.876 0.000 1.227 119 L HN 0.739 nan 8.230 nan 0.000 0.415 120 R N 4.139 124.424 120.500 -0.357 0.000 2.407 120 R HA 0.583 4.940 4.340 0.028 0.000 0.303 120 R C -1.611 174.396 176.300 -0.487 0.000 0.981 120 R CA -0.410 55.477 56.100 -0.357 0.000 0.905 120 R CB 0.796 30.829 30.300 -0.446 0.000 1.099 120 R HN 0.506 nan 8.270 nan 0.000 0.459 121 F N 4.127 123.884 119.950 -0.321 0.000 2.426 121 F HA 0.310 4.854 4.527 0.028 0.000 0.348 121 F C -0.633 175.053 175.800 -0.191 0.000 1.124 121 F CA -0.671 57.233 58.000 -0.160 0.000 1.008 121 F CB 1.182 40.133 39.000 -0.082 0.000 1.139 121 F HN 0.467 nan 8.300 nan 0.000 0.452 122 Y N 1.816 122.190 120.300 0.124 0.000 2.636 122 Y HA 0.193 4.759 4.550 0.027 0.000 0.334 122 Y C 1.159 177.093 175.900 0.056 0.000 1.286 122 Y CA -0.713 57.424 58.100 0.061 0.000 1.688 122 Y CB -0.299 38.178 38.460 0.029 0.000 1.662 122 Y HN 0.575 nan 8.280 nan 0.000 0.465 123 T N -2.446 112.186 114.554 0.130 0.000 2.816 123 T HA 0.107 4.474 4.350 0.028 0.000 0.282 123 T C 1.114 175.836 174.700 0.036 0.000 0.993 123 T CA -0.789 61.342 62.100 0.052 0.000 0.994 123 T CB 1.075 69.914 68.868 -0.048 0.000 1.025 123 T HN 0.429 nan 8.240 nan 0.000 0.529 124 E N 0.326 120.526 120.200 0.001 0.000 2.478 124 E HA 0.005 4.372 4.350 0.028 0.000 0.198 124 E C 0.807 177.395 176.600 -0.019 0.000 1.046 124 E CA 0.666 57.062 56.400 -0.005 0.000 0.870 124 E CB 0.129 29.820 29.700 -0.015 0.000 0.818 124 E HN 0.798 nan 8.360 nan 0.000 0.527 125 E N -0.124 120.055 120.200 -0.034 0.000 2.789 125 E HA 0.338 4.704 4.350 0.028 0.000 0.208 125 E C -0.049 176.536 176.600 -0.025 0.000 0.988 125 E CA -0.164 56.213 56.400 -0.039 0.000 1.092 125 E CB 0.792 30.450 29.700 -0.069 0.000 1.066 125 E HN 0.175 nan 8.360 nan 0.000 0.465 126 G N 1.073 109.871 108.800 -0.002 0.000 2.440 126 G HA2 -0.171 3.806 3.960 0.028 0.000 0.684 126 G HA3 -0.171 3.806 3.960 0.028 0.000 0.684 126 G C -1.052 173.857 174.900 0.016 0.000 1.309 126 G CA -1.168 43.939 45.100 0.011 0.000 0.931 126 G HN 0.075 nan 8.290 nan 0.000 0.612 127 N N 0.026 118.723 118.700 -0.004 0.000 2.442 127 N HA 0.405 5.162 4.740 0.028 0.000 0.265 127 N C -0.699 174.805 175.510 -0.011 0.000 1.138 127 N CA 0.042 53.051 53.050 -0.069 0.000 0.956 127 N CB 0.885 39.272 38.487 -0.166 0.000 1.067 127 N HN 0.566 nan 8.380 nan 0.000 0.474 128 Y N 2.290 122.525 120.300 -0.109 0.000 2.342 128 Y HA 0.296 4.863 4.550 0.029 0.000 0.338 128 Y C -0.982 174.916 175.900 -0.003 0.000 0.965 128 Y CA -1.257 56.788 58.100 -0.092 0.000 1.159 128 Y CB 0.528 38.863 38.460 -0.209 0.000 1.157 128 Y HN 0.367 nan 8.280 nan 0.000 0.486 129 D N 6.687 126.721 120.400 -0.610 0.000 2.303 129 D HA 0.247 4.904 4.640 0.028 0.000 0.236 129 D C -0.936 174.924 176.300 -0.733 0.000 1.068 129 D CA -0.151 53.541 54.000 -0.513 0.000 0.830 129 D CB 2.081 42.751 40.800 -0.216 0.000 1.109 129 D HN 0.689 nan 8.370 nan 0.000 0.496 130 L N 3.014 123.869 121.223 -0.613 0.000 2.297 130 L HA 0.302 4.659 4.340 0.028 0.000 0.277 130 L C -1.043 175.641 176.870 -0.310 0.000 1.040 130 L CA -0.648 53.928 54.840 -0.440 0.000 0.867 130 L CB 0.567 42.439 42.059 -0.312 0.000 1.244 130 L HN 0.066 nan 8.230 nan 0.000 0.433 131 V N 5.364 125.134 119.914 -0.240 0.000 2.299 131 V HA 0.431 4.568 4.120 0.028 0.000 0.255 131 V C 0.993 177.018 176.094 -0.115 0.000 1.100 131 V CA -0.176 61.961 62.300 -0.272 0.000 0.938 131 V CB 0.206 31.834 31.823 -0.324 0.000 1.139 131 V HN 0.801 nan 8.190 nan 0.000 0.490 132 G N 3.359 112.104 108.800 -0.092 0.000 2.705 132 G HA2 0.603 4.580 3.960 0.028 0.000 0.299 132 G HA3 0.603 4.580 3.960 0.028 0.000 0.299 132 G C -0.686 174.258 174.900 0.073 0.000 1.315 132 G CA -0.584 44.540 45.100 0.039 0.000 1.045 132 G HN 0.495 nan 8.290 nan 0.000 0.517 133 N N -1.035 117.746 118.700 0.134 0.000 2.761 133 N HA 0.202 4.959 4.740 0.028 0.000 0.283 133 N C 0.229 175.877 175.510 0.229 0.000 1.377 133 N CA -0.713 52.469 53.050 0.220 0.000 0.791 133 N CB 1.461 40.104 38.487 0.259 0.000 1.540 133 N HN 0.524 nan 8.380 nan 0.000 0.539 134 N N -0.965 117.917 118.700 0.303 0.000 2.362 134 N HA -0.012 4.745 4.740 0.028 0.000 0.204 134 N C -0.431 175.346 175.510 0.445 0.000 1.166 134 N CA 0.098 53.374 53.050 0.377 0.000 0.831 134 N CB 0.014 38.745 38.487 0.406 0.000 1.008 134 N HN 0.393 nan 8.380 nan 0.000 0.472 135 T N -0.165 114.481 114.554 0.153 0.000 2.909 135 T HA 0.384 4.751 4.350 0.028 0.000 0.299 135 T C -2.529 171.801 174.700 -0.617 0.000 1.073 135 T CA -1.706 60.069 62.100 -0.543 0.000 0.999 135 T CB 2.259 70.631 68.868 -0.827 0.000 1.098 135 T HN -0.167 nan 8.240 nan 0.000 0.477 136 P HA 0.189 nan 4.420 nan 0.000 0.245 136 P C 0.502 177.511 177.300 -0.487 0.000 1.206 136 P CA 0.155 62.824 63.100 -0.719 0.000 0.781 136 P CB -0.033 31.205 31.700 -0.771 0.000 0.994 137 I N -4.811 115.420 120.570 -0.566 0.000 3.294 137 I HA 0.612 4.799 4.170 0.028 0.000 0.311 137 I C -1.199 174.742 176.117 -0.294 0.000 1.111 137 I CA -1.575 59.455 61.300 -0.449 0.000 0.976 137 I CB 1.477 39.095 38.000 -0.638 0.000 1.260 137 I HN -0.265 nan 8.210 nan 0.000 0.474 138 F N 0.187 119.905 119.950 -0.388 0.000 2.664 138 F HA 0.544 5.088 4.527 0.028 0.000 0.329 138 F C 0.123 175.747 175.800 -0.294 0.000 1.090 138 F CA -0.958 56.855 58.000 -0.311 0.000 0.978 138 F CB 1.723 40.679 39.000 -0.072 0.000 1.378 138 F HN 0.355 nan 8.300 nan 0.000 0.495 139 F N 1.453 120.992 119.950 -0.685 0.000 2.502 139 F HA 0.185 4.729 4.527 0.028 0.000 0.298 139 F C 0.112 175.819 175.800 -0.156 0.000 1.111 139 F CA 0.718 58.413 58.000 -0.508 0.000 1.445 139 F CB -0.237 38.190 39.000 -0.955 0.000 1.081 139 F HN -0.070 nan 8.300 nan 0.000 0.558 140 L N -0.674 120.706 121.223 0.262 0.000 2.415 140 L HA 0.452 4.809 4.340 0.028 0.000 0.256 140 L C 0.694 177.720 176.870 0.260 0.000 1.010 140 L CA -0.921 54.093 54.840 0.290 0.000 0.826 140 L CB 2.385 44.705 42.059 0.435 0.000 1.405 140 L HN -0.116 nan 8.230 nan 0.000 0.410 141 R N -1.010 119.600 120.500 0.183 0.000 2.509 141 R HA 0.327 4.684 4.340 0.028 0.000 0.297 141 R C -0.658 175.724 176.300 0.137 0.000 0.951 141 R CA -0.320 55.862 56.100 0.136 0.000 1.103 141 R CB 0.807 31.152 30.300 0.075 0.000 1.283 141 R HN 0.556 nan 8.270 nan 0.000 0.534 142 D N 1.250 121.755 120.400 0.174 0.000 2.964 142 D HA 0.197 4.854 4.640 0.028 0.000 0.234 142 D C -2.073 174.358 176.300 0.219 0.000 1.223 142 D CA -2.094 52.002 54.000 0.160 0.000 0.889 142 D CB 2.769 43.647 40.800 0.130 0.000 1.609 142 D HN -0.179 nan 8.370 nan 0.000 0.523 143 P HA -0.094 nan 4.420 nan 0.000 0.226 143 P C 1.502 178.969 177.300 0.278 0.000 1.153 143 P CA 0.358 63.593 63.100 0.224 0.000 0.777 143 P CB 0.300 32.080 31.700 0.133 0.000 0.794 144 M N 0.703 120.444 119.600 0.235 0.000 2.202 144 M HA -0.128 4.369 4.480 0.028 0.000 0.262 144 M C 1.718 178.241 176.300 0.370 0.000 1.063 144 M CA 1.863 57.314 55.300 0.252 0.000 1.097 144 M CB -0.736 31.979 32.600 0.191 0.000 1.382 144 M HN -0.225 nan 8.290 nan 0.000 0.413 145 K N -1.566 119.072 120.400 0.397 0.000 2.432 145 K HA -0.055 4.282 4.320 0.028 0.000 0.196 145 K C 1.741 178.671 176.600 0.549 0.000 1.038 145 K CA 0.714 57.307 56.287 0.510 0.000 0.986 145 K CB -0.314 32.458 32.500 0.453 0.000 0.782 145 K HN 0.378 nan 8.250 nan 0.000 0.485 146 F N 2.417 122.569 119.950 0.337 0.000 2.146 146 F HA -0.261 4.281 4.527 0.025 0.000 0.298 146 F C 2.439 178.352 175.800 0.189 0.000 1.096 146 F CA 1.915 60.117 58.000 0.335 0.000 1.275 146 F CB -0.406 38.766 39.000 0.286 0.000 1.008 146 F HN 0.034 nan 8.300 nan 0.000 0.480 147 T N -1.896 112.748 114.554 0.149 0.000 2.684 147 T HA -0.288 4.079 4.350 0.028 0.000 0.267 147 T C 1.954 176.459 174.700 -0.324 0.000 1.036 147 T CA 1.883 63.899 62.100 -0.139 0.000 1.148 147 T CB -1.125 67.663 68.868 -0.133 0.000 0.863 147 T HN 0.430 nan 8.240 nan 0.000 0.436 148 H N 0.099 119.118 119.070 -0.086 0.000 2.319 148 H HA -0.022 4.552 4.556 0.031 0.000 0.299 148 H C 2.103 177.063 175.328 -0.613 0.000 1.092 148 H CA 1.756 57.696 56.048 -0.180 0.000 1.302 148 H CB -0.720 29.105 29.762 0.106 0.000 1.373 148 H HN 0.547 nan 8.280 nan 0.000 0.497 149 F N 1.429 120.907 119.950 -0.786 0.000 2.069 149 F HA -0.216 4.328 4.527 0.029 0.000 0.298 149 F C 2.341 177.625 175.800 -0.860 0.000 1.113 149 F CA 1.034 58.262 58.000 -1.286 0.000 1.214 149 F CB -0.159 38.426 39.000 -0.692 0.000 0.978 149 F HN -0.064 nan 8.300 nan 0.000 0.474 150 I N 0.941 120.867 120.570 -1.074 0.000 2.226 150 I HA -0.236 3.951 4.170 0.028 0.000 0.245 150 I C 2.417 178.108 176.117 -0.710 0.000 1.100 150 I CA 1.415 62.110 61.300 -1.009 0.000 1.374 150 I CB -1.393 36.125 38.000 -0.803 0.000 1.057 150 I HN 0.253 nan 8.210 nan 0.000 0.413 151 R N 0.876 121.048 120.500 -0.546 0.000 2.105 151 R HA -0.153 4.204 4.340 0.028 0.000 0.239 151 R C 2.436 178.482 176.300 -0.423 0.000 1.135 151 R CA 1.841 57.706 56.100 -0.391 0.000 0.967 151 R CB -0.459 29.669 30.300 -0.287 0.000 0.861 151 R HN 0.494 nan 8.270 nan 0.000 0.442 152 S N 0.516 115.879 115.700 -0.561 0.000 2.447 152 S HA -0.106 4.381 4.470 0.028 0.000 0.233 152 S C 1.749 175.993 174.600 -0.593 0.000 1.006 152 S CA 0.740 58.623 58.200 -0.529 0.000 0.957 152 S CB 0.065 62.905 63.200 -0.600 0.000 0.773 152 S HN 0.223 nan 8.310 nan 0.000 0.507 153 Q N 0.764 120.120 119.800 -0.740 0.000 2.432 153 Q HA 0.268 4.625 4.340 0.028 0.000 0.205 153 Q C 0.932 176.698 176.000 -0.390 0.000 0.945 153 Q CA 0.591 56.009 55.803 -0.642 0.000 0.924 153 Q CB 0.157 28.402 28.738 -0.822 0.000 1.016 153 Q HN 0.677 nan 8.270 nan 0.000 0.503 154 K N -0.020 120.179 120.400 -0.335 0.000 3.908 154 K HA 0.374 4.711 4.320 0.028 0.000 0.232 154 K C 0.239 176.739 176.600 -0.167 0.000 1.059 154 K CA -0.536 55.629 56.287 -0.204 0.000 1.818 154 K CB 0.597 32.987 32.500 -0.184 0.000 2.817 154 K HN -0.164 nan 8.250 nan 0.000 0.754 155 R N 0.663 121.087 120.500 -0.126 0.000 2.778 155 R HA 0.399 4.756 4.340 0.028 0.000 0.277 155 R C -0.638 175.609 176.300 -0.089 0.000 0.977 155 R CA -0.700 55.345 56.100 -0.092 0.000 0.950 155 R CB 1.012 31.280 30.300 -0.053 0.000 1.165 155 R HN 0.239 nan 8.270 nan 0.000 0.474 156 L N 3.555 124.734 121.223 -0.073 0.000 2.485 156 L HA 0.081 4.438 4.340 0.028 0.000 0.275 156 L C -1.081 175.762 176.870 -0.046 0.000 1.207 156 L CA -1.144 53.660 54.840 -0.059 0.000 0.855 156 L CB 0.513 42.545 42.059 -0.046 0.000 1.114 156 L HN 0.467 nan 8.230 nan 0.000 0.485 157 P HA -0.127 nan 4.420 nan 0.000 0.221 157 P C 0.382 177.669 177.300 -0.023 0.000 1.150 157 P CA 1.034 64.115 63.100 -0.032 0.000 0.800 157 P CB 0.140 31.822 31.700 -0.029 0.000 0.787 158 D N 0.442 120.830 120.400 -0.020 0.000 2.202 158 D HA -0.094 4.563 4.640 0.028 0.000 0.214 158 D C 1.897 178.190 176.300 -0.012 0.000 0.967 158 D CA 1.547 55.539 54.000 -0.014 0.000 0.871 158 D CB -1.144 39.650 40.800 -0.011 0.000 1.020 158 D HN 0.211 nan 8.370 nan 0.000 0.474 159 S N -1.032 114.659 115.700 -0.015 0.000 2.501 159 S HA 0.303 4.790 4.470 0.028 0.000 0.220 159 S C 1.925 176.518 174.600 -0.012 0.000 0.997 159 S CA 0.527 58.719 58.200 -0.012 0.000 0.919 159 S CB -0.366 62.827 63.200 -0.013 0.000 0.778 159 S HN 0.687 nan 8.310 nan 0.000 0.523 160 G N 1.064 109.853 108.800 -0.018 0.000 2.160 160 G HA2 -0.219 3.758 3.960 0.028 0.000 0.251 160 G HA3 -0.219 3.758 3.960 0.028 0.000 0.251 160 G C -0.163 174.727 174.900 -0.016 0.000 1.008 160 G CA 0.494 45.584 45.100 -0.016 0.000 0.724 160 G HN 0.557 nan 8.290 nan 0.000 0.514 161 L N -0.210 120.996 121.223 -0.027 0.000 2.334 161 L HA 0.576 4.933 4.340 0.028 0.000 0.275 161 L C 1.274 178.106 176.870 -0.063 0.000 1.036 161 L CA -1.234 53.585 54.840 -0.036 0.000 0.807 161 L CB 1.134 43.173 42.059 -0.034 0.000 1.231 161 L HN 0.090 nan 8.230 nan 0.000 0.438 162 R N 0.992 121.442 120.500 -0.084 0.000 2.694 162 R HA 0.195 4.552 4.340 0.028 0.000 0.268 162 R C -0.927 175.301 176.300 -0.119 0.000 1.061 162 R CA -0.085 55.937 56.100 -0.129 0.000 1.133 162 R CB 0.371 30.559 30.300 -0.187 0.000 1.020 162 R HN 0.521 nan 8.270 nan 0.000 0.475 163 D N -0.233 120.091 120.400 -0.128 0.000 2.616 163 D HA 0.244 4.901 4.640 0.028 0.000 0.238 163 D C 0.171 176.422 176.300 -0.082 0.000 1.354 163 D CA -0.270 53.679 54.000 -0.084 0.000 0.970 163 D CB 1.488 42.246 40.800 -0.069 0.000 1.369 163 D HN 0.470 nan 8.370 nan 0.000 0.585 164 A N 2.498 125.307 122.820 -0.019 0.000 2.024 164 A HA -0.125 4.212 4.320 0.028 0.000 0.220 164 A C 1.950 179.637 177.584 0.172 0.000 1.164 164 A CA 1.846 53.931 52.037 0.079 0.000 0.643 164 A CB -0.573 18.563 19.000 0.227 0.000 0.806 164 A HN 0.627 nan 8.150 nan 0.000 0.451 165 T N -0.242 114.377 114.554 0.108 0.000 2.684 165 T HA -0.218 4.149 4.350 0.028 0.000 0.267 165 T C 1.927 176.662 174.700 0.059 0.000 1.036 165 T CA 1.805 63.970 62.100 0.108 0.000 1.148 165 T CB -0.311 68.587 68.868 0.051 0.000 0.863 165 T HN 0.613 nan 8.240 nan 0.000 0.436 166 M N 0.894 120.480 119.600 -0.024 0.000 2.108 166 M HA -0.185 4.312 4.480 0.028 0.000 0.261 166 M C 2.363 178.568 176.300 -0.158 0.000 1.066 166 M CA 1.658 56.913 55.300 -0.075 0.000 1.107 166 M CB -0.247 32.284 32.600 -0.115 0.000 1.356 166 M HN 0.208 nan 8.290 nan 0.000 0.406 167 Q N -0.662 118.958 119.800 -0.300 0.000 2.061 167 Q HA -0.225 4.132 4.340 0.028 0.000 0.204 167 Q C 1.752 177.381 176.000 -0.618 0.000 0.984 167 Q CA 2.408 57.789 55.803 -0.703 0.000 0.846 167 Q CB -0.417 27.755 28.738 -0.944 0.000 0.902 167 Q HN 0.716 nan 8.270 nan 0.000 0.421 168 W N 0.832 122.074 121.300 -0.097 0.000 2.436 168 W HA -0.120 4.558 4.660 0.030 0.000 0.284 168 W C 1.898 178.428 176.519 0.019 0.000 1.225 168 W CA 0.543 57.944 57.345 0.093 0.000 1.271 168 W CB -0.102 29.417 29.460 0.098 0.000 1.114 168 W HN 0.241 nan 8.180 nan 0.000 0.559 169 D N -0.086 120.415 120.400 0.169 0.000 2.104 169 D HA -0.256 4.401 4.640 0.028 0.000 0.194 169 D C 1.841 178.185 176.300 0.074 0.000 0.994 169 D CA 1.327 55.385 54.000 0.097 0.000 0.830 169 D CB -0.486 40.350 40.800 0.061 0.000 0.959 169 D HN 0.095 nan 8.370 nan 0.000 0.452 170 F N -0.143 119.762 119.950 -0.074 0.000 2.075 170 F HA -0.135 4.410 4.527 0.030 0.000 0.297 170 F C 1.991 177.826 175.800 0.057 0.000 1.113 170 F CA 1.455 59.414 58.000 -0.067 0.000 1.218 170 F CB -0.340 38.546 39.000 -0.189 0.000 0.984 170 F HN 0.038 nan 8.300 nan 0.000 0.472 171 W N 1.127 122.443 121.300 0.027 0.000 2.355 171 W HA -0.186 4.491 4.660 0.029 0.000 0.309 171 W C 2.926 179.360 176.519 -0.141 0.000 1.206 171 W CA 2.515 59.813 57.345 -0.079 0.000 1.284 171 W CB -1.841 27.536 29.460 -0.138 0.000 1.145 171 W HN 0.192 nan 8.180 nan 0.000 0.502 172 T N -2.125 112.476 114.554 0.079 0.000 2.915 172 T HA -0.168 4.199 4.350 0.028 0.000 0.269 172 T C 1.282 176.030 174.700 0.079 0.000 1.071 172 T CA 1.528 63.642 62.100 0.023 0.000 1.132 172 T CB -0.787 68.084 68.868 0.005 0.000 0.878 172 T HN 0.121 nan 8.240 nan 0.000 0.479 173 N N 1.447 120.132 118.700 -0.024 0.000 2.461 173 N HA 0.123 4.880 4.740 0.028 0.000 0.188 173 N C -0.120 175.297 175.510 -0.153 0.000 1.134 173 N CA 0.051 53.055 53.050 -0.077 0.000 0.878 173 N CB 0.165 38.589 38.487 -0.106 0.000 0.972 173 N HN 0.368 nan 8.380 nan 0.000 0.456 174 N N 0.464 119.061 118.700 -0.172 0.000 2.752 174 N HA 0.113 4.870 4.740 0.028 0.000 0.260 174 N C -2.285 173.222 175.510 -0.004 0.000 1.562 174 N CA -0.871 52.069 53.050 -0.184 0.000 0.788 174 N CB 1.549 39.748 38.487 -0.480 0.000 1.192 174 N HN 0.125 nan 8.380 nan 0.000 0.503 175 P HA -0.163 nan 4.420 nan 0.000 0.225 175 P C 1.120 178.258 177.300 -0.270 0.000 1.148 175 P CA 0.980 64.063 63.100 -0.028 0.000 0.779 175 P CB 0.290 31.974 31.700 -0.026 0.000 0.780 176 E N 1.095 121.192 120.200 -0.171 0.000 2.273 176 E HA -0.172 4.195 4.350 0.028 0.000 0.198 176 E C 1.694 178.228 176.600 -0.110 0.000 1.002 176 E CA 1.580 57.884 56.400 -0.160 0.000 0.828 176 E CB -0.893 28.771 29.700 -0.060 0.000 0.747 176 E HN 0.317 nan 8.360 nan 0.000 0.491 177 S N 0.587 116.277 115.700 -0.016 0.000 2.507 177 S HA 0.100 4.587 4.470 0.028 0.000 0.235 177 S C 2.115 176.690 174.600 -0.041 0.000 0.988 177 S CA 0.462 58.696 58.200 0.056 0.000 0.944 177 S CB 0.078 63.422 63.200 0.240 0.000 0.762 177 S HN 0.438 nan 8.310 nan 0.000 0.526 178 A N 1.694 124.399 122.820 -0.192 0.000 1.902 178 A HA -0.147 4.190 4.320 0.028 0.000 0.217 178 A C 2.067 179.610 177.584 -0.068 0.000 1.181 178 A CA 1.667 53.533 52.037 -0.285 0.000 0.623 178 A CB -1.333 17.277 19.000 -0.649 0.000 0.818 178 A HN 0.810 nan 8.150 nan 0.000 0.443 179 H N -1.464 117.482 119.070 -0.207 0.000 2.319 179 H HA -0.202 4.371 4.556 0.029 0.000 0.299 179 H C 2.349 177.594 175.328 -0.138 0.000 1.092 179 H CA 1.691 57.645 56.048 -0.157 0.000 1.302 179 H CB 0.154 29.792 29.762 -0.206 0.000 1.373 179 H HN 0.525 nan 8.280 nan 0.000 0.497 180 Q N 0.512 120.175 119.800 -0.228 0.000 2.172 180 Q HA -0.064 4.293 4.340 0.028 0.000 0.200 180 Q C 2.303 178.128 176.000 -0.292 0.000 0.964 180 Q CA 1.281 56.783 55.803 -0.501 0.000 0.855 180 Q CB -0.188 27.882 28.738 -1.113 0.000 0.918 180 Q HN 0.363 nan 8.270 nan 0.000 0.444 181 V N 0.231 120.062 119.914 -0.138 0.000 2.407 181 V HA -0.272 3.865 4.120 0.028 0.000 0.248 181 V C 2.104 178.413 176.094 0.357 0.000 1.055 181 V CA 2.154 64.438 62.300 -0.027 0.000 1.049 181 V CB -1.028 30.619 31.823 -0.293 0.000 0.662 181 V HN 0.438 nan 8.190 nan 0.000 0.455 182 T N -0.940 113.919 114.554 0.508 0.000 2.684 182 T HA -0.261 4.106 4.350 0.028 0.000 0.267 182 T C 1.765 176.822 174.700 0.594 0.000 1.036 182 T CA 2.201 64.728 62.100 0.712 0.000 1.148 182 T CB -0.405 68.769 68.868 0.510 0.000 0.863 182 T HN 0.553 nan 8.240 nan 0.000 0.436 183 Y N 1.500 121.945 120.300 0.241 0.000 2.128 183 Y HA -0.117 4.450 4.550 0.028 0.000 0.284 183 Y C 2.182 178.212 175.900 0.217 0.000 1.154 183 Y CA 1.022 59.237 58.100 0.191 0.000 1.149 183 Y CB -0.506 37.944 38.460 -0.018 0.000 0.976 183 Y HN 0.112 nan 8.280 nan 0.000 0.505 184 L N -0.348 121.111 121.223 0.392 0.000 2.083 184 L HA -0.217 4.140 4.340 0.028 0.000 0.209 184 L C 1.876 178.914 176.870 0.279 0.000 1.083 184 L CA 1.861 56.901 54.840 0.333 0.000 0.752 184 L CB -0.581 41.668 42.059 0.317 0.000 0.899 184 L HN 0.233 nan 8.230 nan 0.000 0.433 185 M N -0.476 119.310 119.600 0.309 0.000 2.558 185 M HA 0.187 4.684 4.480 0.028 0.000 0.255 185 M C 1.253 177.710 176.300 0.261 0.000 1.113 185 M CA 0.628 56.050 55.300 0.204 0.000 1.097 185 M CB -1.513 31.108 32.600 0.034 0.000 1.426 185 M HN 0.335 nan 8.290 nan 0.000 0.488 186 G N 1.133 110.164 108.800 0.385 0.000 2.508 186 G HA2 0.227 4.204 3.960 0.028 0.000 0.278 186 G HA3 0.227 4.204 3.960 0.028 0.000 0.278 186 G C -1.665 173.210 174.900 -0.042 0.000 1.389 186 G CA -0.690 44.498 45.100 0.146 0.000 1.050 186 G HN 0.105 nan 8.290 nan 0.000 0.522 187 P HA -0.112 nan 4.420 nan 0.000 0.216 187 P C 1.413 178.690 177.300 -0.038 0.000 1.150 187 P CA 1.091 64.116 63.100 -0.125 0.000 0.843 187 P CB 0.112 31.706 31.700 -0.177 0.000 0.787 188 R N -0.592 119.858 120.500 -0.083 0.000 2.323 188 R HA 0.101 4.458 4.340 0.028 0.000 0.198 188 R C 2.341 178.716 176.300 0.125 0.000 0.988 188 R CA 0.626 56.718 56.100 -0.013 0.000 1.041 188 R CB -0.816 29.374 30.300 -0.183 0.000 0.926 188 R HN 0.230 nan 8.270 nan 0.000 0.476 189 G N 0.541 109.422 108.800 0.136 0.000 2.559 189 G HA2 -0.108 3.869 3.960 0.028 0.000 0.216 189 G HA3 -0.108 3.869 3.960 0.028 0.000 0.216 189 G C 0.676 175.714 174.900 0.230 0.000 1.126 189 G CA 0.354 45.584 45.100 0.217 0.000 0.778 189 G HN 0.164 nan 8.290 nan 0.000 0.543 190 L N 1.770 123.111 121.223 0.196 0.000 2.502 190 L HA 0.282 4.639 4.340 0.028 0.000 0.249 190 L C -2.434 174.571 176.870 0.226 0.000 1.446 190 L CA -1.819 53.152 54.840 0.218 0.000 0.887 190 L CB 2.248 44.407 42.059 0.167 0.000 1.126 190 L HN -0.119 nan 8.230 nan 0.000 0.509 191 P HA 0.024 nan 4.420 nan 0.000 0.268 191 P C 0.367 177.821 177.300 0.256 0.000 1.205 191 P CA -0.079 63.150 63.100 0.215 0.000 0.771 191 P CB 1.244 33.056 31.700 0.186 0.000 0.858 192 R N 2.240 122.875 120.500 0.225 0.000 2.066 192 R HA -0.044 4.313 4.340 0.028 0.000 0.232 192 R C 0.651 177.115 176.300 0.274 0.000 1.131 192 R CA 1.689 57.961 56.100 0.288 0.000 0.955 192 R CB -0.099 30.337 30.300 0.228 0.000 0.851 192 R HN 0.701 nan 8.270 nan 0.000 0.432 193 T N -4.824 109.717 114.554 -0.022 0.000 2.864 193 T HA 0.193 4.560 4.350 0.028 0.000 0.299 193 T C 0.233 174.723 174.700 -0.351 0.000 1.166 193 T CA -1.000 60.893 62.100 -0.344 0.000 1.007 193 T CB 0.683 69.439 68.868 -0.187 0.000 1.219 193 T HN 0.153 nan 8.240 nan 0.000 0.506 194 W N 0.940 121.918 121.300 -0.536 0.000 2.425 194 W HA 0.066 4.743 4.660 0.028 0.000 0.277 194 W C 2.203 178.591 176.519 -0.218 0.000 1.231 194 W CA 0.289 57.280 57.345 -0.590 0.000 1.248 194 W CB -0.827 27.841 29.460 -1.319 0.000 1.117 194 W HN 0.751 nan 8.180 nan 0.000 0.568 195 R N 0.269 120.836 120.500 0.111 0.000 2.189 195 R HA -0.096 4.261 4.340 0.028 0.000 0.223 195 R C 0.649 177.005 176.300 0.093 0.000 1.092 195 R CA 0.948 57.147 56.100 0.165 0.000 0.989 195 R CB -0.281 30.043 30.300 0.039 0.000 0.876 195 R HN 0.220 nan 8.270 nan 0.000 0.457 196 E N 0.906 121.190 120.200 0.140 0.000 2.939 196 E HA 0.156 4.523 4.350 0.028 0.000 0.215 196 E C -0.220 176.516 176.600 0.226 0.000 1.025 196 E CA -0.224 56.286 56.400 0.183 0.000 1.259 196 E CB 0.611 30.446 29.700 0.225 0.000 1.228 196 E HN 0.225 nan 8.360 nan 0.000 0.443 197 M N -1.636 118.156 119.600 0.320 0.000 2.593 197 M HA 0.554 5.051 4.480 0.028 0.000 0.290 197 M C -1.252 175.342 176.300 0.490 0.000 1.244 197 M CA -1.080 54.435 55.300 0.358 0.000 0.857 197 M CB 1.830 34.645 32.600 0.359 0.000 1.738 197 M HN -0.309 nan 8.290 nan 0.000 0.461 198 N N 0.363 119.284 118.700 0.367 0.000 2.476 198 N HA 0.754 5.511 4.740 0.028 0.000 0.275 198 N C -0.561 174.869 175.510 -0.133 0.000 1.190 198 N CA -0.108 53.069 53.050 0.211 0.000 0.977 198 N CB 1.704 40.245 38.487 0.089 0.000 1.200 198 N HN 0.888 nan 8.380 nan 0.000 0.515 199 G N -0.394 107.943 108.800 -0.770 0.000 2.453 199 G HA2 0.682 4.659 3.960 0.028 0.000 0.323 199 G HA3 0.682 4.659 3.960 0.028 0.000 0.323 199 G C -1.674 172.648 174.900 -0.964 0.000 1.198 199 G CA -0.257 43.984 45.100 -1.433 0.000 0.959 199 G HN 0.408 nan 8.290 nan 0.000 0.482 200 Y N -0.979 119.185 120.300 -0.226 0.000 2.544 200 Y HA 0.461 5.027 4.550 0.028 0.000 0.342 200 Y C 1.162 177.087 175.900 0.041 0.000 1.062 200 Y CA -0.343 57.737 58.100 -0.034 0.000 1.023 200 Y CB 2.389 40.784 38.460 -0.109 0.000 1.308 200 Y HN 0.654 nan 8.280 nan 0.000 0.457 201 G N 0.097 109.079 108.800 0.303 0.000 2.448 201 G HA2 0.061 4.038 3.960 0.028 0.000 0.218 201 G HA3 0.061 4.038 3.960 0.028 0.000 0.218 201 G C 0.867 175.918 174.900 0.252 0.000 1.135 201 G CA 1.015 46.338 45.100 0.370 0.000 0.784 201 G HN 0.757 nan 8.290 nan 0.000 0.543 202 S N -0.894 114.861 115.700 0.092 0.000 1.577 202 S HA -0.253 4.233 4.470 0.028 0.000 0.240 202 S C 0.852 175.369 174.600 -0.137 0.000 0.755 202 S CA 1.372 59.501 58.200 -0.119 0.000 1.398 202 S CB -1.342 61.715 63.200 -0.237 0.000 1.552 202 S HN 0.696 nan 8.310 nan 0.000 0.510 203 H N 2.567 121.637 119.070 0.000 0.000 2.757 203 H HA 0.283 4.855 4.556 0.028 0.000 0.370 203 H C 0.508 175.772 175.328 -0.106 0.000 1.172 203 H CA 0.907 56.873 56.048 -0.136 0.000 1.426 203 H CB 0.024 29.553 29.762 -0.388 0.000 1.438 203 H HN 0.394 nan 8.280 nan 0.000 0.612 204 T N 3.081 117.624 114.554 -0.018 0.000 2.870 204 T HA 0.150 4.517 4.350 0.028 0.000 0.300 204 T C -0.063 174.608 174.700 -0.048 0.000 0.989 204 T CA 0.223 62.313 62.100 -0.016 0.000 1.139 204 T CB -0.171 68.646 68.868 -0.084 0.000 0.920 204 T HN 0.287 nan 8.240 nan 0.000 0.537 205 Y N 1.202 121.599 120.300 0.163 0.000 2.602 205 Y HA 0.624 5.191 4.550 0.027 0.000 0.330 205 Y C -0.037 176.057 175.900 0.323 0.000 1.114 205 Y CA -1.373 56.880 58.100 0.256 0.000 1.182 205 Y CB 1.071 39.711 38.460 0.300 0.000 1.305 205 Y HN 0.387 nan 8.280 nan 0.000 0.502 206 L N 1.375 122.928 121.223 0.549 0.000 2.295 206 L HA 0.448 4.805 4.340 0.028 0.000 0.285 206 L C -1.775 175.383 176.870 0.480 0.000 1.035 206 L CA -0.685 54.375 54.840 0.367 0.000 0.806 206 L CB 0.382 42.614 42.059 0.288 0.000 1.214 206 L HN 0.474 nan 8.230 nan 0.000 0.426 207 W N 4.908 126.235 121.300 0.046 0.000 2.573 207 W HA 0.650 5.326 4.660 0.027 0.000 0.326 207 W C -0.777 175.758 176.519 0.026 0.000 1.049 207 W CA -0.963 56.407 57.345 0.041 0.000 1.220 207 W CB 1.794 31.273 29.460 0.030 0.000 1.373 207 W HN 0.329 nan 8.180 nan 0.000 0.507 208 V N 6.847 126.845 119.914 0.140 0.000 2.531 208 V HA 0.480 4.617 4.120 0.028 0.000 0.301 208 V C -0.261 175.838 176.094 0.009 0.000 1.034 208 V CA -0.683 61.647 62.300 0.050 0.000 0.865 208 V CB 0.999 32.820 31.823 -0.002 0.000 0.995 208 V HN 0.620 nan 8.190 nan 0.000 0.424 209 N N 6.207 124.925 118.700 0.030 0.000 2.405 209 N HA 0.499 5.256 4.740 0.028 0.000 0.269 209 N C 1.007 176.497 175.510 -0.034 0.000 1.249 209 N CA 0.070 53.117 53.050 -0.005 0.000 0.974 209 N CB 1.308 39.806 38.487 0.017 0.000 1.204 209 N HN 0.680 nan 8.380 nan 0.000 0.565 210 A N -0.741 122.053 122.820 -0.043 0.000 2.019 210 A HA -0.160 4.177 4.320 0.028 0.000 0.219 210 A C 1.650 179.210 177.584 -0.040 0.000 1.164 210 A CA 1.361 53.370 52.037 -0.046 0.000 0.644 210 A CB -0.694 18.278 19.000 -0.047 0.000 0.805 210 A HN 0.707 nan 8.150 nan 0.000 0.449 211 Q N -1.634 118.146 119.800 -0.034 0.000 2.403 211 Q HA 0.330 4.687 4.340 0.028 0.000 0.203 211 Q C 1.224 177.201 176.000 -0.039 0.000 0.932 211 Q CA 0.824 56.607 55.803 -0.032 0.000 0.945 211 Q CB 0.187 28.910 28.738 -0.026 0.000 1.045 211 Q HN 0.900 nan 8.270 nan 0.000 0.511 212 G N -0.050 108.724 108.800 -0.043 0.000 2.175 212 G HA2 -0.276 3.701 3.960 0.028 0.000 0.244 212 G HA3 -0.276 3.701 3.960 0.028 0.000 0.244 212 G C -0.254 174.597 174.900 -0.082 0.000 0.982 212 G CA -0.127 44.936 45.100 -0.061 0.000 0.641 212 G HN 0.366 nan 8.290 nan 0.000 0.527 213 E N 0.653 120.822 120.200 -0.052 0.000 2.383 213 E HA 0.479 4.846 4.350 0.028 0.000 0.264 213 E C 0.187 176.759 176.600 -0.046 0.000 1.050 213 E CA 0.208 56.569 56.400 -0.065 0.000 0.896 213 E CB 0.650 30.353 29.700 0.004 0.000 0.982 213 E HN 0.347 nan 8.360 nan 0.000 0.424 214 K N 1.809 122.105 120.400 -0.173 0.000 2.259 214 K HA 0.467 4.804 4.320 0.028 0.000 0.252 214 K C -1.111 175.336 176.600 -0.255 0.000 0.936 214 K CA -0.697 55.471 56.287 -0.198 0.000 0.810 214 K CB 1.369 33.588 32.500 -0.468 0.000 1.143 214 K HN 0.423 nan 8.250 nan 0.000 0.427 215 H N -0.188 118.814 119.070 -0.113 0.000 2.768 215 H HA 0.327 4.900 4.556 0.028 0.000 0.371 215 H C -1.329 173.846 175.328 -0.254 0.000 1.151 215 H CA -0.570 55.398 56.048 -0.132 0.000 1.165 215 H CB 1.001 30.789 29.762 0.043 0.000 1.722 215 H HN 0.457 nan 8.280 nan 0.000 0.543 216 W N 2.143 123.500 121.300 0.095 0.000 2.316 216 W HA 0.543 5.220 4.660 0.027 0.000 0.311 216 W C -0.587 175.798 176.519 -0.223 0.000 1.217 216 W CA -0.499 56.826 57.345 -0.033 0.000 1.199 216 W CB 0.893 30.297 29.460 -0.093 0.000 1.202 216 W HN 0.150 nan 8.180 nan 0.000 0.528 217 V N 4.293 124.152 119.914 -0.092 0.000 2.823 217 V HA 0.466 4.603 4.120 0.028 0.000 0.312 217 V C -0.223 175.645 176.094 -0.377 0.000 1.072 217 V CA -1.399 60.618 62.300 -0.471 0.000 0.937 217 V CB 2.113 33.263 31.823 -1.123 0.000 1.013 217 V HN 0.283 nan 8.190 nan 0.000 0.430 218 K N 2.605 122.767 120.400 -0.397 0.000 2.259 218 K HA 0.561 4.898 4.320 0.028 0.000 0.252 218 K C -1.501 174.879 176.600 -0.367 0.000 0.936 218 K CA -0.449 55.678 56.287 -0.267 0.000 0.810 218 K CB 2.129 34.568 32.500 -0.101 0.000 1.143 218 K HN 0.569 nan 8.250 nan 0.000 0.427 219 Y N 1.461 121.643 120.300 -0.196 0.000 2.360 219 Y HA 0.301 4.868 4.550 0.029 0.000 0.337 219 Y C 0.474 176.158 175.900 -0.360 0.000 1.039 219 Y CA -0.503 57.462 58.100 -0.226 0.000 1.109 219 Y CB 1.433 39.847 38.460 -0.076 0.000 1.201 219 Y HN 0.368 nan 8.280 nan 0.000 0.458 220 H N 4.364 123.433 119.070 -0.003 0.000 2.823 220 H HA 0.266 4.840 4.556 0.029 0.000 0.332 220 H C -1.619 173.606 175.328 -0.173 0.000 0.980 220 H CA -0.843 55.190 56.048 -0.025 0.000 1.286 220 H CB 1.306 31.138 29.762 0.116 0.000 1.541 220 H HN 0.564 nan 8.280 nan 0.000 0.521 221 F N 3.741 123.623 119.950 -0.113 0.000 2.308 221 F HA 0.241 4.785 4.527 0.029 0.000 0.370 221 F C 0.249 176.147 175.800 0.163 0.000 1.100 221 F CA -0.694 57.339 58.000 0.055 0.000 1.108 221 F CB 0.837 39.736 39.000 -0.167 0.000 1.293 221 F HN 0.336 nan 8.300 nan 0.000 0.478 222 I N 2.415 123.259 120.570 0.458 0.000 2.304 222 I HA 0.106 4.292 4.170 0.028 0.000 0.291 222 I C 0.616 176.922 176.117 0.315 0.000 1.018 222 I CA -0.351 61.158 61.300 0.349 0.000 1.260 222 I CB 1.036 39.222 38.000 0.311 0.000 1.390 222 I HN 0.407 nan 8.210 nan 0.000 0.475 223 S N 5.278 121.084 115.700 0.177 0.000 2.537 223 S HA 0.030 4.517 4.470 0.028 0.000 0.286 223 S C 1.156 175.662 174.600 -0.155 0.000 1.299 223 S CA -0.030 57.993 58.200 -0.295 0.000 1.067 223 S CB 0.452 63.527 63.200 -0.209 0.000 0.864 223 S HN 0.595 nan 8.310 nan 0.000 0.494 224 Q N 2.677 122.336 119.800 -0.235 0.000 2.436 224 Q HA -0.053 4.304 4.340 0.028 0.000 0.209 224 Q C 1.068 177.016 176.000 -0.086 0.000 0.965 224 Q CA 0.800 56.546 55.803 -0.095 0.000 0.910 224 Q CB 0.041 28.739 28.738 -0.066 0.000 0.980 224 Q HN 0.719 nan 8.270 nan 0.000 0.491 225 Q N -0.478 119.233 119.800 -0.148 0.000 2.360 225 Q HA 0.185 4.542 4.340 0.028 0.000 0.202 225 Q C 0.447 176.514 176.000 0.111 0.000 0.915 225 Q CA 0.497 56.273 55.803 -0.046 0.000 0.943 225 Q CB 0.829 29.508 28.738 -0.098 0.000 1.064 225 Q HN 0.362 nan 8.270 nan 0.000 0.511 226 G N -0.559 108.283 108.800 0.070 0.000 2.828 226 G HA2 -0.204 3.773 3.960 0.028 0.000 0.463 226 G HA3 -0.204 3.773 3.960 0.028 0.000 0.463 226 G C -0.810 174.119 174.900 0.050 0.000 1.394 226 G CA -0.569 44.569 45.100 0.064 0.000 0.862 226 G HN 0.085 nan 8.290 nan 0.000 0.540 227 V N 2.989 122.822 119.914 -0.135 0.000 2.350 227 V HA 0.568 4.705 4.120 0.028 0.000 0.276 227 V C 0.046 175.931 176.094 -0.349 0.000 1.028 227 V CA -0.427 61.822 62.300 -0.084 0.000 0.860 227 V CB 1.158 32.980 31.823 -0.002 0.000 0.990 227 V HN 0.765 nan 8.190 nan 0.000 0.453 228 H N 4.086 123.200 119.070 0.073 0.000 2.667 228 H HA 0.548 5.121 4.556 0.028 0.000 0.353 228 H C -0.905 174.472 175.328 0.081 0.000 1.072 228 H CA -0.706 55.380 56.048 0.063 0.000 1.214 228 H CB 2.496 32.291 29.762 0.056 0.000 1.600 228 H HN 0.574 nan 8.280 nan 0.000 0.527 229 N N 1.999 120.795 118.700 0.160 0.000 2.380 229 N HA 0.418 5.175 4.740 0.028 0.000 0.290 229 N C -0.501 175.082 175.510 0.122 0.000 1.236 229 N CA -0.707 52.423 53.050 0.132 0.000 0.780 229 N CB 2.568 41.102 38.487 0.077 0.000 1.438 229 N HN 0.338 nan 8.380 nan 0.000 0.491 230 L N 0.627 121.922 121.223 0.119 0.000 2.344 230 L HA 0.426 4.783 4.340 0.028 0.000 0.272 230 L C 1.088 177.994 176.870 0.060 0.000 1.035 230 L CA -0.759 54.134 54.840 0.087 0.000 0.807 230 L CB 1.418 43.536 42.059 0.098 0.000 1.237 230 L HN 0.623 nan 8.230 nan 0.000 0.442 231 S N 0.272 115.993 115.700 0.035 0.000 2.600 231 S HA 0.144 4.631 4.470 0.028 0.000 0.265 231 S C 0.848 175.465 174.600 0.028 0.000 1.325 231 S CA -0.687 57.526 58.200 0.021 0.000 1.002 231 S CB 0.753 63.957 63.200 0.006 0.000 0.921 231 S HN 0.622 nan 8.310 nan 0.000 0.554 232 N N 1.586 120.299 118.700 0.021 0.000 2.061 232 N HA -0.151 4.606 4.740 0.028 0.000 0.193 232 N C 1.028 176.548 175.510 0.017 0.000 1.030 232 N CA 1.835 54.900 53.050 0.025 0.000 0.856 232 N CB -0.732 37.761 38.487 0.011 0.000 1.023 232 N HN 0.674 nan 8.380 nan 0.000 0.424 233 D N 1.011 121.413 120.400 0.003 0.000 2.117 233 D HA -0.095 4.562 4.640 0.028 0.000 0.197 233 D C 1.821 178.116 176.300 -0.008 0.000 0.987 233 D CA 0.848 54.846 54.000 -0.004 0.000 0.829 233 D CB -0.243 40.552 40.800 -0.009 0.000 0.961 233 D HN 0.438 nan 8.370 nan 0.000 0.460 234 E N 0.528 120.722 120.200 -0.010 0.000 2.077 234 E HA -0.112 4.255 4.350 0.028 0.000 0.193 234 E C 2.084 178.662 176.600 -0.037 0.000 0.989 234 E CA 1.058 57.440 56.400 -0.030 0.000 0.800 234 E CB -0.050 29.636 29.700 -0.025 0.000 0.746 234 E HN 0.196 nan 8.360 nan 0.000 0.452 235 A N 0.709 123.530 122.820 0.002 0.000 1.930 235 A HA -0.155 4.182 4.320 0.028 0.000 0.217 235 A C 2.336 179.942 177.584 0.037 0.000 1.175 235 A CA 1.701 53.752 52.037 0.023 0.000 0.627 235 A CB -0.742 18.307 19.000 0.082 0.000 0.815 235 A HN 0.166 nan 8.150 nan 0.000 0.443 236 T N -0.230 114.347 114.554 0.039 0.000 2.708 236 T HA -0.157 4.210 4.350 0.028 0.000 0.266 236 T C 1.999 176.711 174.700 0.020 0.000 1.037 236 T CA 1.678 63.806 62.100 0.047 0.000 1.146 236 T CB -0.194 68.690 68.868 0.026 0.000 0.865 236 T HN 0.630 nan 8.240 nan 0.000 0.435 237 K N 0.803 121.194 120.400 -0.014 0.000 2.032 237 K HA -0.076 4.261 4.320 0.028 0.000 0.209 237 K C 2.242 178.804 176.600 -0.064 0.000 1.048 237 K CA 1.416 57.681 56.287 -0.036 0.000 0.927 237 K CB -0.353 32.117 32.500 -0.051 0.000 0.712 237 K HN 0.318 nan 8.250 nan 0.000 0.441 238 I N 1.123 121.629 120.570 -0.106 0.000 2.286 238 I HA -0.229 3.958 4.170 0.028 0.000 0.248 238 I C 2.497 178.558 176.117 -0.094 0.000 1.115 238 I CA 1.017 62.212 61.300 -0.176 0.000 1.392 238 I CB -0.349 37.455 38.000 -0.327 0.000 1.065 238 I HN 0.269 nan 8.210 nan 0.000 0.418 239 A N 0.914 123.720 122.820 -0.023 0.000 1.940 239 A HA -0.156 4.181 4.320 0.028 0.000 0.219 239 A C 2.414 180.009 177.584 0.019 0.000 1.176 239 A CA 2.051 54.104 52.037 0.026 0.000 0.631 239 A CB -1.310 17.792 19.000 0.170 0.000 0.814 239 A HN 0.473 nan 8.150 nan 0.000 0.446 240 G N -0.893 107.917 108.800 0.017 0.000 2.396 240 G HA2 -0.094 3.883 3.960 0.028 0.000 0.214 240 G HA3 -0.094 3.883 3.960 0.028 0.000 0.214 240 G C 1.447 176.340 174.900 -0.012 0.000 1.166 240 G CA 0.794 45.901 45.100 0.011 0.000 0.793 240 G HN 0.626 nan 8.290 nan 0.000 0.533 241 E N -0.421 119.758 120.200 -0.034 0.000 2.158 241 E HA -0.010 4.356 4.350 0.028 0.000 0.191 241 E C 0.228 176.806 176.600 -0.036 0.000 0.982 241 E CA 0.396 56.771 56.400 -0.041 0.000 0.823 241 E CB 0.227 29.887 29.700 -0.066 0.000 0.766 241 E HN 0.262 nan 8.360 nan 0.000 0.468 242 N N -0.943 117.731 118.700 -0.043 0.000 2.827 242 N HA 0.147 4.904 4.740 0.028 0.000 0.240 242 N C -0.469 175.029 175.510 -0.020 0.000 1.352 242 N CA 0.046 53.088 53.050 -0.013 0.000 0.760 242 N CB 1.026 39.531 38.487 0.030 0.000 1.426 242 N HN -0.017 nan 8.380 nan 0.000 0.561 243 A N 1.304 124.100 122.820 -0.040 0.000 2.125 243 A HA -0.041 4.295 4.320 0.028 0.000 0.219 243 A C 0.511 178.044 177.584 -0.085 0.000 1.156 243 A CA 1.124 53.113 52.037 -0.080 0.000 0.671 243 A CB 0.086 19.033 19.000 -0.089 0.000 0.794 243 A HN 0.516 nan 8.150 nan 0.000 0.459 244 D N -1.859 118.514 120.400 -0.046 0.000 2.643 244 D HA 0.176 4.833 4.640 0.028 0.000 0.244 244 D C 0.707 176.973 176.300 -0.057 0.000 1.257 244 D CA -0.432 53.537 54.000 -0.052 0.000 0.831 244 D CB -0.299 40.473 40.800 -0.046 0.000 1.043 244 D HN 0.461 nan 8.370 nan 0.000 0.488 245 F N 0.981 120.798 119.950 -0.222 0.000 2.126 245 F HA -0.258 4.286 4.527 0.028 0.000 0.299 245 F C 1.981 177.641 175.800 -0.234 0.000 1.096 245 F CA 1.889 59.756 58.000 -0.221 0.000 1.255 245 F CB 0.166 39.010 39.000 -0.259 0.000 0.997 245 F HN 0.158 nan 8.300 nan 0.000 0.479 246 H N -1.075 117.628 119.070 -0.612 0.000 2.363 246 H HA -0.098 4.474 4.556 0.028 0.000 0.301 246 H C 2.386 177.078 175.328 -1.059 0.000 1.074 246 H CA 0.915 56.268 56.048 -1.159 0.000 1.354 246 H CB -0.171 28.547 29.762 -1.741 0.000 1.397 246 H HN 0.192 nan 8.280 nan 0.000 0.516 247 R N 1.296 121.523 120.500 -0.455 0.000 2.083 247 R HA -0.211 4.146 4.340 0.028 0.000 0.237 247 R C 2.422 178.735 176.300 0.021 0.000 1.137 247 R CA 1.958 58.065 56.100 0.011 0.000 0.951 247 R CB -0.133 30.244 30.300 0.128 0.000 0.851 247 R HN 0.398 nan 8.270 nan 0.000 0.434 248 Q N 0.355 120.103 119.800 -0.087 0.000 2.050 248 Q HA -0.237 4.120 4.340 0.028 0.000 0.202 248 Q C 1.593 177.562 176.000 -0.053 0.000 0.980 248 Q CA 2.292 58.070 55.803 -0.042 0.000 0.840 248 Q CB -0.212 28.495 28.738 -0.053 0.000 0.898 248 Q HN 0.458 nan 8.270 nan 0.000 0.424 249 D N -0.227 120.014 120.400 -0.266 0.000 2.104 249 D HA -0.226 4.431 4.640 0.028 0.000 0.194 249 D C 1.973 178.237 176.300 -0.061 0.000 0.994 249 D CA 1.428 55.269 54.000 -0.266 0.000 0.830 249 D CB -0.171 40.293 40.800 -0.559 0.000 0.959 249 D HN 0.310 nan 8.370 nan 0.000 0.452 250 L N -0.685 120.546 121.223 0.013 0.000 2.027 250 L HA -0.013 4.344 4.340 0.028 0.000 0.206 250 L C 2.016 179.013 176.870 0.212 0.000 1.074 250 L CA 1.578 56.528 54.840 0.183 0.000 0.745 250 L CB -0.940 41.365 42.059 0.409 0.000 0.898 250 L HN 0.170 nan 8.230 nan 0.000 0.433 251 F N 0.572 120.589 119.950 0.111 0.000 2.102 251 F HA -0.189 4.355 4.527 0.028 0.000 0.298 251 F C 2.383 178.230 175.800 0.078 0.000 1.105 251 F CA 1.969 60.035 58.000 0.110 0.000 1.239 251 F CB -0.177 38.884 39.000 0.102 0.000 0.991 251 F HN 0.213 nan 8.300 nan 0.000 0.474 252 E N -0.876 119.497 120.200 0.288 0.000 2.077 252 E HA -0.232 4.135 4.350 0.028 0.000 0.193 252 E C 2.379 179.030 176.600 0.085 0.000 0.989 252 E CA 1.342 57.849 56.400 0.178 0.000 0.800 252 E CB -0.449 29.323 29.700 0.120 0.000 0.746 252 E HN 0.333 nan 8.360 nan 0.000 0.452 253 S N 0.526 116.266 115.700 0.067 0.000 2.353 253 S HA -0.156 4.331 4.470 0.028 0.000 0.222 253 S C 1.975 176.609 174.600 0.058 0.000 1.035 253 S CA 0.981 59.212 58.200 0.053 0.000 1.025 253 S CB -0.100 63.135 63.200 0.058 0.000 0.902 253 S HN 0.142 nan 8.310 nan 0.000 0.440 254 I N 1.964 122.564 120.570 0.050 0.000 2.252 254 I HA -0.072 4.115 4.170 0.028 0.000 0.245 254 I C 2.825 178.939 176.117 -0.005 0.000 1.102 254 I CA 1.295 62.625 61.300 0.049 0.000 1.385 254 I CB -1.931 36.056 38.000 -0.021 0.000 1.064 254 I HN 0.370 nan 8.210 nan 0.000 0.414 255 A N 0.817 123.591 122.820 -0.078 0.000 1.972 255 A HA -0.197 4.140 4.320 0.028 0.000 0.219 255 A C 2.221 179.813 177.584 0.013 0.000 1.169 255 A CA 1.397 53.403 52.037 -0.051 0.000 0.635 255 A CB -0.496 18.500 19.000 -0.006 0.000 0.810 255 A HN 0.364 nan 8.150 nan 0.000 0.446 256 K N -1.580 118.834 120.400 0.023 0.000 2.487 256 K HA 0.206 4.543 4.320 0.028 0.000 0.192 256 K C 1.021 177.615 176.600 -0.011 0.000 1.027 256 K CA 0.503 56.799 56.287 0.015 0.000 1.054 256 K CB -0.038 32.472 32.500 0.018 0.000 0.824 256 K HN 0.665 nan 8.250 nan 0.000 0.510 257 G N 1.488 110.284 108.800 -0.007 0.000 2.159 257 G HA2 -0.182 3.795 3.960 0.028 0.000 0.227 257 G HA3 -0.182 3.795 3.960 0.028 0.000 0.227 257 G C -0.489 174.273 174.900 -0.230 0.000 0.986 257 G CA -0.264 44.792 45.100 -0.074 0.000 0.651 257 G HN 0.241 nan 8.290 nan 0.000 0.523 258 D N 0.271 120.629 120.400 -0.069 0.000 2.362 258 D HA 0.429 5.086 4.640 0.028 0.000 0.242 258 D C 0.275 176.669 176.300 0.156 0.000 1.132 258 D CA 0.384 54.351 54.000 -0.055 0.000 0.907 258 D CB 0.321 41.134 40.800 0.022 0.000 1.195 258 D HN 0.581 nan 8.370 nan 0.000 0.429 259 H N 0.764 119.855 119.070 0.034 0.000 2.716 259 H HA 0.230 4.803 4.556 0.029 0.000 0.260 259 H C -2.136 173.228 175.328 0.059 0.000 1.280 259 H CA -1.732 54.352 56.048 0.060 0.000 1.506 259 H CB 1.532 31.329 29.762 0.058 0.000 1.514 259 H HN 0.124 nan 8.280 nan 0.000 0.502 260 P HA 0.066 nan 4.420 nan 0.000 0.268 260 P C -0.511 176.839 177.300 0.083 0.000 1.205 260 P CA -0.098 63.026 63.100 0.040 0.000 0.771 260 P CB 1.663 33.400 31.700 0.062 0.000 0.858 261 K N 1.790 122.092 120.400 -0.163 0.000 2.435 261 K HA 0.584 4.921 4.320 0.028 0.000 0.251 261 K C -0.927 175.588 176.600 -0.143 0.000 0.954 261 K CA -0.506 55.817 56.287 0.060 0.000 0.820 261 K CB 2.338 34.886 32.500 0.079 0.000 1.292 261 K HN 0.519 nan 8.250 nan 0.000 0.436 262 W N 1.193 122.657 121.300 0.273 0.000 2.998 262 W HA 0.243 4.921 4.660 0.030 0.000 0.335 262 W C -1.004 175.710 176.519 0.326 0.000 1.110 262 W CA -0.689 56.859 57.345 0.339 0.000 1.230 262 W CB 2.187 31.945 29.460 0.497 0.000 1.405 262 W HN 0.447 nan 8.180 nan 0.000 0.493 263 D N 2.519 123.183 120.400 0.440 0.000 2.232 263 D HA 0.283 4.940 4.640 0.028 0.000 0.242 263 D C -0.502 175.912 176.300 0.190 0.000 1.093 263 D CA -0.425 53.719 54.000 0.240 0.000 0.845 263 D CB 2.035 42.902 40.800 0.112 0.000 1.124 263 D HN 0.041 nan 8.370 nan 0.000 0.467 264 L N 3.901 125.174 121.223 0.082 0.000 2.290 264 L HA 0.339 4.696 4.340 0.028 0.000 0.284 264 L C -1.479 175.196 176.870 -0.324 0.000 1.078 264 L CA -0.162 54.588 54.840 -0.151 0.000 0.815 264 L CB 0.075 42.080 42.059 -0.090 0.000 1.162 264 L HN 0.250 nan 8.230 nan 0.000 0.435 265 Y N 4.997 125.260 120.300 -0.061 0.000 2.524 265 Y HA 0.647 5.214 4.550 0.028 0.000 0.344 265 Y C 0.050 175.907 175.900 -0.071 0.000 1.012 265 Y CA -0.927 57.149 58.100 -0.041 0.000 1.068 265 Y CB 1.643 40.084 38.460 -0.033 0.000 1.249 265 Y HN 0.607 nan 8.280 nan 0.000 0.468 266 I N -1.037 119.527 120.570 -0.010 0.000 2.693 266 I HA 0.647 4.834 4.170 0.028 0.000 0.303 266 I C -1.110 174.913 176.117 -0.157 0.000 1.025 266 I CA -1.129 60.047 61.300 -0.206 0.000 1.086 266 I CB 1.932 39.544 38.000 -0.646 0.000 1.268 266 I HN 0.501 nan 8.210 nan 0.000 0.440 267 Q N 2.884 122.582 119.800 -0.170 0.000 2.245 267 Q HA 0.783 5.140 4.340 0.028 0.000 0.256 267 Q C -0.898 174.891 176.000 -0.352 0.000 0.942 267 Q CA -1.062 54.633 55.803 -0.179 0.000 0.896 267 Q CB 2.165 30.865 28.738 -0.063 0.000 1.272 267 Q HN 0.883 nan 8.270 nan 0.000 0.442 268 A N 3.294 125.917 122.820 -0.328 0.000 2.357 268 A HA 0.587 4.924 4.320 0.028 0.000 0.295 268 A C -0.877 176.610 177.584 -0.162 0.000 1.121 268 A CA -0.583 51.227 52.037 -0.378 0.000 0.742 268 A CB 0.538 19.058 19.000 -0.799 0.000 1.181 268 A HN 0.727 nan 8.150 nan 0.000 0.454 269 I N 3.752 124.202 120.570 -0.199 0.000 2.339 269 I HA 0.316 4.503 4.170 0.028 0.000 0.290 269 I C -2.303 173.856 176.117 0.070 0.000 0.994 269 I CA -2.311 58.803 61.300 -0.310 0.000 1.191 269 I CB 2.113 39.757 38.000 -0.594 0.000 1.343 269 I HN 0.377 nan 8.210 nan 0.000 0.458 270 P HA -0.096 nan 4.420 nan 0.000 0.267 270 P C 0.289 177.615 177.300 0.044 0.000 1.200 270 P CA 0.138 63.218 63.100 -0.035 0.000 0.772 270 P CB 0.465 32.214 31.700 0.082 0.000 0.855 271 Y N 3.242 123.402 120.300 -0.233 0.000 2.069 271 Y HA -0.317 4.250 4.550 0.028 0.000 0.278 271 Y C 1.958 178.010 175.900 0.253 0.000 1.175 271 Y CA 2.005 60.031 58.100 -0.123 0.000 1.134 271 Y CB -0.358 37.977 38.460 -0.209 0.000 0.965 271 Y HN 0.371 nan 8.280 nan 0.000 0.498 272 E N 0.217 120.527 120.200 0.183 0.000 2.204 272 E HA -0.181 4.186 4.350 0.028 0.000 0.194 272 E C 1.929 178.594 176.600 0.109 0.000 0.989 272 E CA 1.355 57.824 56.400 0.115 0.000 0.824 272 E CB -0.240 29.547 29.700 0.146 0.000 0.756 272 E HN 0.713 nan 8.360 nan 0.000 0.477 273 E N 0.017 120.302 120.200 0.141 0.000 2.347 273 E HA -0.042 4.325 4.350 0.028 0.000 0.196 273 E C 2.012 178.662 176.600 0.083 0.000 1.008 273 E CA 0.467 56.949 56.400 0.138 0.000 0.852 273 E CB -0.080 29.729 29.700 0.181 0.000 0.783 273 E HN 0.247 nan 8.360 nan 0.000 0.505 274 G N 1.916 110.776 108.800 0.100 0.000 2.442 274 G HA2 -0.324 3.653 3.960 0.028 0.000 0.219 274 G HA3 -0.324 3.653 3.960 0.028 0.000 0.219 274 G C 1.541 176.361 174.900 -0.133 0.000 1.141 274 G CA 0.793 45.781 45.100 -0.186 0.000 0.763 274 G HN 0.146 nan 8.290 nan 0.000 0.554 275 K N 0.239 120.647 120.400 0.013 0.000 2.217 275 K HA -0.046 4.291 4.320 0.028 0.000 0.202 275 K C 2.377 178.991 176.600 0.024 0.000 1.051 275 K CA 1.627 57.934 56.287 0.034 0.000 0.952 275 K CB -0.022 32.498 32.500 0.033 0.000 0.736 275 K HN 0.459 nan 8.250 nan 0.000 0.453 276 T N -2.594 111.988 114.554 0.047 0.000 3.001 276 T HA 0.040 4.407 4.350 0.028 0.000 0.251 276 T C 0.451 175.193 174.700 0.071 0.000 1.040 276 T CA -0.529 61.602 62.100 0.051 0.000 0.985 276 T CB -0.262 68.647 68.868 0.069 0.000 1.011 276 T HN 0.063 nan 8.240 nan 0.000 0.509 277 Y N 4.094 124.363 120.300 -0.052 0.000 2.578 277 Y HA 0.203 4.770 4.550 0.028 0.000 0.339 277 Y C 1.905 177.756 175.900 -0.081 0.000 1.231 277 Y CA -1.277 56.804 58.100 -0.032 0.000 1.461 277 Y CB 0.820 39.266 38.460 -0.023 0.000 1.323 277 Y HN 0.136 nan 8.280 nan 0.000 0.590 278 R N 2.209 122.171 120.500 -0.897 0.000 2.237 278 R HA -0.018 4.339 4.340 0.028 0.000 0.219 278 R C -0.700 175.117 176.300 -0.805 0.000 1.080 278 R CA 0.832 56.471 56.100 -0.768 0.000 0.995 278 R CB -0.286 29.514 30.300 -0.832 0.000 0.875 278 R HN 0.316 nan 8.270 nan 0.000 0.462 279 F N 1.333 120.970 119.950 -0.523 0.000 2.480 279 F HA 0.280 4.824 4.527 0.028 0.000 0.329 279 F C 0.218 175.953 175.800 -0.109 0.000 1.091 279 F CA -1.911 55.968 58.000 -0.201 0.000 0.972 279 F CB 1.213 40.161 39.000 -0.086 0.000 1.150 279 F HN -0.128 nan 8.300 nan 0.000 0.467 280 N N 4.161 122.905 118.700 0.072 0.000 2.405 280 N HA 0.183 4.940 4.740 0.028 0.000 0.260 280 N C -2.065 173.310 175.510 -0.225 0.000 1.152 280 N CA -2.005 50.990 53.050 -0.091 0.000 0.948 280 N CB 1.037 39.493 38.487 -0.052 0.000 1.111 280 N HN 0.152 nan 8.380 nan 0.000 0.485 281 P HA 0.015 nan 4.420 nan 0.000 0.230 281 P C 0.162 177.029 177.300 -0.722 0.000 1.158 281 P CA 0.859 63.559 63.100 -0.666 0.000 0.769 281 P CB -0.008 31.123 31.700 -0.948 0.000 0.807 282 F N -1.048 118.738 119.950 -0.274 0.000 2.732 282 F HA 0.195 4.739 4.527 0.028 0.000 0.303 282 F C 0.755 176.460 175.800 -0.160 0.000 1.110 282 F CA -0.738 57.090 58.000 -0.287 0.000 1.355 282 F CB -0.571 38.195 39.000 -0.390 0.000 1.081 282 F HN -0.129 nan 8.300 nan 0.000 0.565 283 D N 0.896 121.274 120.400 -0.037 0.000 2.373 283 D HA 0.112 4.769 4.640 0.028 0.000 0.227 283 D C 0.928 177.209 176.300 -0.032 0.000 1.091 283 D CA -0.241 53.752 54.000 -0.011 0.000 0.840 283 D CB 1.250 42.040 40.800 -0.017 0.000 1.060 283 D HN 0.066 nan 8.370 nan 0.000 0.502 284 L N 3.952 125.176 121.223 0.002 0.000 2.456 284 L HA -0.023 4.334 4.340 0.028 0.000 0.224 284 L C 1.952 178.781 176.870 -0.068 0.000 1.148 284 L CA 1.664 56.484 54.840 -0.034 0.000 0.825 284 L CB -0.658 41.411 42.059 0.017 0.000 0.937 284 L HN 0.618 nan 8.230 nan 0.000 0.450 285 T N -3.991 110.537 114.554 -0.045 0.000 3.129 285 T HA 0.085 4.452 4.350 0.028 0.000 0.251 285 T C 0.685 175.372 174.700 -0.022 0.000 1.117 285 T CA -0.137 61.924 62.100 -0.065 0.000 1.034 285 T CB -0.167 68.675 68.868 -0.043 0.000 0.968 285 T HN -0.015 nan 8.240 nan 0.000 0.526 286 K N 2.891 123.248 120.400 -0.072 0.000 2.259 286 K HA 0.447 4.784 4.320 0.028 0.000 0.252 286 K C 0.141 176.656 176.600 -0.142 0.000 0.936 286 K CA -0.422 55.802 56.287 -0.106 0.000 0.810 286 K CB 1.879 34.301 32.500 -0.130 0.000 1.143 286 K HN 0.424 nan 8.250 nan 0.000 0.427 287 T N -0.927 113.542 114.554 -0.140 0.000 2.902 287 T HA 0.547 4.914 4.350 0.028 0.000 0.280 287 T C 0.511 175.127 174.700 -0.141 0.000 0.992 287 T CA -0.850 61.173 62.100 -0.129 0.000 1.015 287 T CB 0.760 69.586 68.868 -0.069 0.000 1.044 287 T HN 0.225 nan 8.240 nan 0.000 0.520 288 I N 1.986 122.539 120.570 -0.028 0.000 2.378 288 I HA 0.310 4.497 4.170 0.028 0.000 0.291 288 I C 0.866 177.053 176.117 0.116 0.000 0.992 288 I CA -0.707 60.645 61.300 0.087 0.000 1.154 288 I CB 1.300 39.303 38.000 0.006 0.000 1.315 288 I HN 0.917 nan 8.210 nan 0.000 0.448 289 S N 4.914 120.747 115.700 0.222 0.000 2.549 289 S HA 0.020 4.506 4.470 0.028 0.000 0.286 289 S C 0.992 175.652 174.600 0.100 0.000 1.314 289 S CA 0.172 58.463 58.200 0.152 0.000 1.062 289 S CB 0.514 63.845 63.200 0.219 0.000 0.865 289 S HN 0.617 nan 8.310 nan 0.000 0.498 290 Q N 2.629 122.446 119.800 0.030 0.000 2.435 290 Q HA -0.068 4.289 4.340 0.028 0.000 0.207 290 Q C 1.695 177.680 176.000 -0.024 0.000 0.956 290 Q CA 1.004 56.798 55.803 -0.015 0.000 0.917 290 Q CB 0.026 28.723 28.738 -0.069 0.000 0.997 290 Q HN 0.855 nan 8.270 nan 0.000 0.497 291 K N 0.327 120.719 120.400 -0.012 0.000 2.062 291 K HA -0.095 4.242 4.320 0.028 0.000 0.205 291 K C 1.187 177.740 176.600 -0.078 0.000 1.051 291 K CA 1.464 57.732 56.287 -0.032 0.000 0.941 291 K CB -0.054 32.438 32.500 -0.014 0.000 0.719 291 K HN -0.020 nan 8.250 nan 0.000 0.440 292 D N -0.312 120.036 120.400 -0.087 0.000 2.123 292 D HA -0.074 4.583 4.640 0.028 0.000 0.200 292 D C -0.168 175.720 176.300 -0.687 0.000 0.976 292 D CA 1.194 55.008 54.000 -0.309 0.000 0.831 292 D CB 0.095 40.818 40.800 -0.129 0.000 0.974 292 D HN 0.238 nan 8.370 nan 0.000 0.469 293 Y N 0.525 120.788 120.300 -0.060 0.000 2.609 293 Y HA 0.284 4.851 4.550 0.029 0.000 0.350 293 Y C -2.230 173.618 175.900 -0.087 0.000 1.050 293 Y CA -2.484 55.560 58.100 -0.092 0.000 1.290 293 Y CB 1.587 39.954 38.460 -0.155 0.000 1.094 293 Y HN -0.154 nan 8.280 nan 0.000 0.583 294 P HA 0.116 nan 4.420 nan 0.000 0.270 294 P C -0.198 177.080 177.300 -0.037 0.000 1.223 294 P CA -0.277 62.808 63.100 -0.025 0.000 0.785 294 P CB 1.089 32.777 31.700 -0.020 0.000 0.923 295 R N 1.495 121.939 120.500 -0.094 0.000 2.537 295 R HA 0.322 4.679 4.340 0.028 0.000 0.280 295 R C 0.049 176.381 176.300 0.055 0.000 1.058 295 R CA -0.029 56.023 56.100 -0.081 0.000 1.057 295 R CB -0.121 30.022 30.300 -0.262 0.000 0.973 295 R HN 0.487 nan 8.270 nan 0.000 0.438 296 I N 2.985 123.620 120.570 0.109 0.000 2.410 296 I HA 0.173 4.360 4.170 0.028 0.000 0.286 296 I C -0.150 176.060 176.117 0.156 0.000 1.009 296 I CA -0.994 60.379 61.300 0.121 0.000 1.111 296 I CB 1.747 39.760 38.000 0.020 0.000 1.262 296 I HN 0.342 nan 8.210 nan 0.000 0.443 297 K N 4.748 125.237 120.400 0.148 0.000 2.382 297 K HA 0.216 4.553 4.320 0.028 0.000 0.275 297 K C -0.032 176.526 176.600 -0.070 0.000 1.009 297 K CA 0.214 56.410 56.287 -0.151 0.000 0.970 297 K CB 1.123 33.547 32.500 -0.127 0.000 0.934 297 K HN 0.450 nan 8.250 nan 0.000 0.479 298 V N 1.932 121.784 119.914 -0.103 0.000 2.854 298 V HA 0.442 4.579 4.120 0.028 0.000 0.236 298 V C 0.982 177.151 176.094 0.126 0.000 1.157 298 V CA 0.872 63.208 62.300 0.061 0.000 1.187 298 V CB 0.110 31.974 31.823 0.067 0.000 0.949 298 V HN 0.974 nan 8.190 nan 0.000 0.488 299 G N -0.750 108.117 108.800 0.111 0.000 2.335 299 G HA2 0.460 4.437 3.960 0.028 0.000 0.291 299 G HA3 0.460 4.437 3.960 0.028 0.000 0.291 299 G C -1.423 173.398 174.900 -0.133 0.000 1.261 299 G CA 0.087 45.145 45.100 -0.070 0.000 0.871 299 G HN -0.018 nan 8.290 nan 0.000 0.491 300 T N 0.417 114.703 114.554 -0.446 0.000 2.881 300 T HA 0.556 4.923 4.350 0.028 0.000 0.290 300 T C -1.099 173.523 174.700 -0.130 0.000 1.000 300 T CA -0.317 61.717 62.100 -0.110 0.000 0.978 300 T CB 1.793 70.638 68.868 -0.039 0.000 0.997 300 T HN 0.725 nan 8.240 nan 0.000 0.443 301 L N 3.364 124.820 121.223 0.389 0.000 2.289 301 L HA 0.703 5.060 4.340 0.028 0.000 0.285 301 L C -0.397 176.711 176.870 0.397 0.000 1.049 301 L CA 0.366 55.511 54.840 0.508 0.000 0.804 301 L CB 1.123 43.589 42.059 0.678 0.000 1.195 301 L HN 0.638 nan 8.230 nan 0.000 0.428 302 T N 6.100 120.815 114.554 0.269 0.000 2.848 302 T HA 0.534 4.900 4.350 0.028 0.000 0.285 302 T C -0.429 174.372 174.700 0.169 0.000 0.995 302 T CA -0.426 61.810 62.100 0.228 0.000 0.970 302 T CB 1.099 70.046 68.868 0.133 0.000 0.976 302 T HN 0.443 nan 8.240 nan 0.000 0.441 303 L N 4.033 125.384 121.223 0.213 0.000 2.289 303 L HA 0.490 4.847 4.340 0.028 0.000 0.285 303 L C 0.706 177.559 176.870 -0.028 0.000 1.049 303 L CA -0.616 54.292 54.840 0.113 0.000 0.804 303 L CB 0.771 42.953 42.059 0.204 0.000 1.195 303 L HN 0.782 nan 8.230 nan 0.000 0.428 304 N N 1.707 120.324 118.700 -0.138 0.000 2.036 304 N HA 0.101 4.858 4.740 0.028 0.000 0.228 304 N C -0.156 175.255 175.510 -0.166 0.000 1.368 304 N CA -0.556 52.242 53.050 -0.419 0.000 0.846 304 N CB 0.661 38.729 38.487 -0.699 0.000 1.145 304 N HN 0.545 nan 8.380 nan 0.000 0.502 305 R N 0.367 120.852 120.500 -0.024 0.000 2.508 305 R HA 0.355 4.712 4.340 0.028 0.000 0.283 305 R C -1.506 174.846 176.300 0.086 0.000 1.120 305 R CA -0.497 55.615 56.100 0.020 0.000 0.958 305 R CB 0.752 31.067 30.300 0.026 0.000 1.215 305 R HN -0.044 nan 8.270 nan 0.000 0.427 306 N N 4.126 122.811 118.700 -0.025 0.000 2.467 306 N HA 0.261 5.018 4.740 0.028 0.000 0.262 306 N C -2.292 173.327 175.510 0.182 0.000 1.234 306 N CA -1.209 51.817 53.050 -0.039 0.000 0.952 306 N CB 0.670 38.844 38.487 -0.522 0.000 1.158 306 N HN 0.473 nan 8.380 nan 0.000 0.463 307 P HA 0.075 nan 4.420 nan 0.000 0.269 307 P C -0.151 177.325 177.300 0.293 0.000 1.209 307 P CA 0.163 63.477 63.100 0.357 0.000 0.776 307 P CB 0.980 32.881 31.700 0.334 0.000 0.876 308 E N 0.453 120.775 120.200 0.203 0.000 2.318 308 E HA 0.007 4.373 4.350 0.028 0.000 0.193 308 E C 0.562 177.269 176.600 0.180 0.000 0.998 308 E CA 0.426 56.929 56.400 0.172 0.000 0.859 308 E CB 0.253 30.005 29.700 0.087 0.000 0.812 308 E HN 0.430 nan 8.360 nan 0.000 0.492 309 N N -0.040 118.773 118.700 0.189 0.000 2.558 309 N HA 0.004 4.761 4.740 0.028 0.000 0.285 309 N C -0.063 175.581 175.510 0.224 0.000 1.112 309 N CA -0.035 53.132 53.050 0.193 0.000 0.857 309 N CB 0.992 39.571 38.487 0.152 0.000 1.376 309 N HN 0.006 nan 8.380 nan 0.000 0.526 310 H N 3.192 122.363 119.070 0.169 0.000 2.319 310 H HA -0.129 4.444 4.556 0.027 0.000 0.299 310 H C 1.459 176.865 175.328 0.130 0.000 1.092 310 H CA 2.263 58.401 56.048 0.150 0.000 1.302 310 H CB 0.073 29.916 29.762 0.136 0.000 1.373 310 H HN 0.585 nan 8.280 nan 0.000 0.497 311 F N 0.555 120.589 119.950 0.140 0.000 2.113 311 F HA -0.085 4.453 4.527 0.018 0.000 0.297 311 F C 2.479 178.276 175.800 -0.004 0.000 1.103 311 F CA 1.507 59.546 58.000 0.065 0.000 1.248 311 F CB -0.667 38.389 39.000 0.095 0.000 0.999 311 F HN 0.278 nan 8.300 nan 0.000 0.475 312 A N -0.581 122.324 122.820 0.142 0.000 1.968 312 A HA -0.110 4.227 4.320 0.028 0.000 0.217 312 A C 2.025 179.573 177.584 -0.061 0.000 1.169 312 A CA 1.496 53.558 52.037 0.042 0.000 0.638 312 A CB -0.472 18.605 19.000 0.128 0.000 0.812 312 A HN 0.603 nan 8.150 nan 0.000 0.446 313 Q N -1.382 118.400 119.800 -0.029 0.000 2.392 313 Q HA 0.201 4.558 4.340 0.028 0.000 0.219 313 Q C 1.245 177.171 176.000 -0.123 0.000 0.895 313 Q CA 0.288 56.102 55.803 0.018 0.000 0.929 313 Q CB 0.379 29.242 28.738 0.208 0.000 1.077 313 Q HN 0.562 nan 8.270 nan 0.000 0.532 314 I N -0.571 119.841 120.570 -0.263 0.000 3.518 314 I HA -0.018 4.169 4.170 0.028 0.000 0.260 314 I C 2.005 177.898 176.117 -0.373 0.000 1.148 314 I CA 0.664 61.745 61.300 -0.364 0.000 1.440 314 I CB -0.802 36.873 38.000 -0.542 0.000 1.485 314 I HN 0.053 nan 8.210 nan 0.000 0.456 315 E N 1.756 121.662 120.200 -0.491 0.000 2.110 315 E HA -0.127 4.240 4.350 0.028 0.000 0.193 315 E C 1.972 178.309 176.600 -0.439 0.000 0.988 315 E CA 1.629 57.777 56.400 -0.420 0.000 0.804 315 E CB 0.030 29.449 29.700 -0.468 0.000 0.745 315 E HN 0.227 nan 8.360 nan 0.000 0.458 316 S N -0.087 115.301 115.700 -0.519 0.000 2.558 316 S HA 0.328 4.815 4.470 0.028 0.000 0.217 316 S C 0.461 174.906 174.600 -0.258 0.000 0.975 316 S CA 0.160 58.128 58.200 -0.387 0.000 0.912 316 S CB 0.204 63.179 63.200 -0.375 0.000 0.776 316 S HN 0.453 nan 8.310 nan 0.000 0.526 317 A N 1.579 124.237 122.820 -0.269 0.000 2.498 317 A HA 0.605 4.942 4.320 0.028 0.000 0.239 317 A C 0.292 177.692 177.584 -0.305 0.000 1.068 317 A CA 0.047 51.876 52.037 -0.345 0.000 0.766 317 A CB 0.083 18.819 19.000 -0.440 0.000 1.003 317 A HN 0.455 nan 8.150 nan 0.000 0.497 318 A N 2.394 124.977 122.820 -0.395 0.000 2.605 318 A HA 0.634 4.971 4.320 0.028 0.000 0.293 318 A C -0.689 176.754 177.584 -0.235 0.000 1.216 318 A CA -0.446 51.476 52.037 -0.192 0.000 0.742 318 A CB 0.098 19.028 19.000 -0.117 0.000 1.170 318 A HN 0.602 nan 8.150 nan 0.000 0.443 319 F N 1.137 121.036 119.950 -0.086 0.000 2.377 319 F HA 0.729 5.273 4.527 0.028 0.000 0.328 319 F C 1.065 176.793 175.800 -0.119 0.000 1.094 319 F CA 0.001 57.913 58.000 -0.147 0.000 1.093 319 F CB 1.994 40.866 39.000 -0.214 0.000 1.214 319 F HN 0.451 nan 8.300 nan 0.000 0.518 320 S N 1.614 117.286 115.700 -0.048 0.000 2.543 320 S HA 0.380 4.867 4.470 0.028 0.000 0.273 320 S C -2.404 172.027 174.600 -0.282 0.000 1.152 320 S CA -1.236 56.819 58.200 -0.241 0.000 0.910 320 S CB 1.725 64.901 63.200 -0.040 0.000 1.105 320 S HN 0.219 nan 8.310 nan 0.000 0.465 321 P HA -0.068 nan 4.420 nan 0.000 0.222 321 P C 1.426 178.716 177.300 -0.017 0.000 1.147 321 P CA 1.145 64.149 63.100 -0.160 0.000 0.790 321 P CB -0.017 31.592 31.700 -0.153 0.000 0.780 322 S N -1.750 113.926 115.700 -0.041 0.000 2.469 322 S HA -0.076 4.411 4.470 0.028 0.000 0.238 322 S C 1.168 175.782 174.600 0.022 0.000 0.998 322 S CA 0.622 58.832 58.200 0.016 0.000 0.957 322 S CB -1.131 62.068 63.200 -0.003 0.000 0.764 322 S HN 0.054 nan 8.310 nan 0.000 0.514 323 N N 3.693 122.392 118.700 -0.002 0.000 3.254 323 N HA 0.143 4.900 4.740 0.028 0.000 0.308 323 N C 0.112 175.692 175.510 0.117 0.000 1.281 323 N CA 0.306 53.364 53.050 0.012 0.000 1.212 323 N CB 0.277 38.735 38.487 -0.048 0.000 1.478 323 N HN 0.691 nan 8.380 nan 0.000 0.548 324 T N -2.493 112.156 114.554 0.158 0.000 2.816 324 T HA 0.575 4.942 4.350 0.028 0.000 0.282 324 T C 0.660 175.426 174.700 0.111 0.000 0.993 324 T CA -0.676 61.558 62.100 0.224 0.000 0.994 324 T CB 1.330 70.306 68.868 0.181 0.000 1.025 324 T HN 0.026 nan 8.240 nan 0.000 0.529 325 V N -3.284 116.625 119.914 -0.009 0.000 3.102 325 V HA 0.730 4.867 4.120 0.028 0.000 0.312 325 V C -3.154 172.863 176.094 -0.129 0.000 1.135 325 V CA -3.339 58.906 62.300 -0.092 0.000 1.022 325 V CB 1.121 32.842 31.823 -0.171 0.000 1.056 325 V HN 0.701 nan 8.190 nan 0.000 0.436 326 P HA 0.342 nan 4.420 nan 0.000 0.264 326 P C 0.945 178.142 177.300 -0.170 0.000 1.183 326 P CA 2.042 65.077 63.100 -0.108 0.000 0.763 326 P CB 0.666 32.311 31.700 -0.092 0.000 0.807 327 G N 2.267 110.982 108.800 -0.141 0.000 2.213 327 G HA2 -0.199 3.778 3.960 0.028 0.000 0.236 327 G HA3 -0.199 3.778 3.960 0.028 0.000 0.236 327 G C -0.013 174.763 174.900 -0.208 0.000 0.991 327 G CA -0.276 44.707 45.100 -0.196 0.000 0.629 327 G HN 0.499 nan 8.290 nan 0.000 0.517 328 I N 0.707 121.199 120.570 -0.129 0.000 2.534 328 I HA 0.653 4.840 4.170 0.028 0.000 0.288 328 I C 0.534 176.749 176.117 0.165 0.000 1.077 328 I CA -0.428 60.891 61.300 0.032 0.000 1.051 328 I CB 1.998 39.904 38.000 -0.157 0.000 1.234 328 I HN 0.248 nan 8.210 nan 0.000 0.425 329 G N 5.206 114.194 108.800 0.313 0.000 3.015 329 G HA2 0.782 4.759 3.960 0.028 0.000 0.281 329 G HA3 0.782 4.759 3.960 0.028 0.000 0.281 329 G C -0.539 174.652 174.900 0.484 0.000 1.386 329 G CA -0.752 44.550 45.100 0.338 0.000 0.959 329 G HN 0.378 nan 8.290 nan 0.000 0.522 330 L N -0.327 121.155 121.223 0.431 0.000 2.855 330 L HA 0.677 5.034 4.340 0.028 0.000 0.204 330 L C 1.037 178.119 176.870 0.353 0.000 1.206 330 L CA -0.452 54.605 54.840 0.360 0.000 0.942 330 L CB 0.851 43.075 42.059 0.276 0.000 1.832 330 L HN 0.741 nan 8.230 nan 0.000 0.522 331 S N -2.716 113.026 115.700 0.070 0.000 2.656 331 S HA 0.408 4.895 4.470 0.028 0.000 0.273 331 S C -2.601 171.461 174.600 -0.897 0.000 1.168 331 S CA -1.017 56.999 58.200 -0.307 0.000 0.817 331 S CB 1.462 64.597 63.200 -0.109 0.000 1.146 331 S HN 0.221 nan 8.310 nan 0.000 0.475 332 P HA 0.075 nan 4.420 nan 0.000 0.236 332 P C -0.358 176.607 177.300 -0.558 0.000 1.172 332 P CA 0.689 63.027 63.100 -1.270 0.000 0.759 332 P CB -0.292 30.279 31.700 -1.882 0.000 0.843 333 D N 0.112 120.316 120.400 -0.327 0.000 2.389 333 D HA -0.032 4.625 4.640 0.028 0.000 0.263 333 D C 1.224 177.481 176.300 -0.072 0.000 1.255 333 D CA 0.254 54.199 54.000 -0.093 0.000 0.914 333 D CB 0.484 41.268 40.800 -0.027 0.000 1.116 333 D HN 0.033 nan 8.370 nan 0.000 0.502 334 R N 3.277 123.768 120.500 -0.016 0.000 2.105 334 R HA -0.156 4.201 4.340 0.028 0.000 0.239 334 R C 2.089 178.410 176.300 0.035 0.000 1.135 334 R CA 1.124 57.236 56.100 0.021 0.000 0.967 334 R CB -0.069 30.260 30.300 0.048 0.000 0.861 334 R HN 0.557 nan 8.270 nan 0.000 0.442 335 M N 0.219 119.857 119.600 0.062 0.000 2.080 335 M HA -0.160 4.337 4.480 0.028 0.000 0.260 335 M C 2.313 178.604 176.300 -0.014 0.000 1.068 335 M CA 1.285 56.637 55.300 0.086 0.000 1.109 335 M CB -0.841 31.874 32.600 0.192 0.000 1.342 335 M HN 0.166 nan 8.290 nan 0.000 0.405 336 L N 0.801 121.897 121.223 -0.211 0.000 2.083 336 L HA -0.127 4.230 4.340 0.028 0.000 0.209 336 L C 2.175 178.946 176.870 -0.165 0.000 1.083 336 L CA 1.612 56.153 54.840 -0.498 0.000 0.752 336 L CB -0.766 40.791 42.059 -0.836 0.000 0.899 336 L HN 0.228 nan 8.230 nan 0.000 0.433 337 L N -1.039 120.150 121.223 -0.056 0.000 2.093 337 L HA -0.092 4.265 4.340 0.028 0.000 0.208 337 L C 2.517 179.436 176.870 0.081 0.000 1.085 337 L CA 1.125 55.993 54.840 0.047 0.000 0.755 337 L CB -1.442 40.671 42.059 0.089 0.000 0.904 337 L HN 0.439 nan 8.230 nan 0.000 0.435 338 G N -0.019 108.824 108.800 0.071 0.000 2.402 338 G HA2 -0.216 3.761 3.960 0.028 0.000 0.216 338 G HA3 -0.216 3.761 3.960 0.028 0.000 0.216 338 G C 1.731 176.723 174.900 0.154 0.000 1.162 338 G CA 0.313 45.485 45.100 0.120 0.000 0.777 338 G HN 0.275 nan 8.290 nan 0.000 0.539 339 R N 0.578 121.130 120.500 0.086 0.000 2.127 339 R HA -0.005 4.352 4.340 0.028 0.000 0.238 339 R C 2.945 179.345 176.300 0.167 0.000 1.134 339 R CA 0.984 57.187 56.100 0.171 0.000 0.975 339 R CB -0.350 30.006 30.300 0.092 0.000 0.865 339 R HN 0.351 nan 8.270 nan 0.000 0.447 340 A N 0.753 123.637 122.820 0.108 0.000 1.978 340 A HA -0.207 4.130 4.320 0.028 0.000 0.220 340 A C 1.885 179.572 177.584 0.172 0.000 1.170 340 A CA 1.245 53.347 52.037 0.110 0.000 0.636 340 A CB -0.483 18.584 19.000 0.111 0.000 0.810 340 A HN 0.413 nan 8.150 nan 0.000 0.448 341 F N 0.396 120.405 119.950 0.097 0.000 2.219 341 F HA 0.248 4.791 4.527 0.028 0.000 0.294 341 F C 2.382 178.272 175.800 0.150 0.000 1.086 341 F CA 0.889 58.953 58.000 0.107 0.000 1.330 341 F CB -0.495 38.550 39.000 0.075 0.000 1.047 341 F HN 0.198 nan 8.300 nan 0.000 0.495 342 A N -0.595 122.176 122.820 -0.082 0.000 1.929 342 A HA -0.115 4.222 4.320 0.028 0.000 0.216 342 A C 1.939 179.392 177.584 -0.217 0.000 1.176 342 A CA 1.421 53.314 52.037 -0.240 0.000 0.628 342 A CB -1.333 17.646 19.000 -0.033 0.000 0.816 342 A HN 0.516 nan 8.150 nan 0.000 0.444 343 Y N -1.041 119.166 120.300 -0.154 0.000 2.153 343 Y HA -0.136 4.431 4.550 0.029 0.000 0.289 343 Y C 2.470 178.314 175.900 -0.092 0.000 1.127 343 Y CA 1.574 59.623 58.100 -0.085 0.000 1.131 343 Y CB -1.052 37.388 38.460 -0.032 0.000 0.995 343 Y HN 0.593 nan 8.280 nan 0.000 0.505 344 H N -0.124 118.944 119.070 -0.003 0.000 2.352 344 H HA -0.169 4.409 4.556 0.037 0.000 0.299 344 H C 1.920 177.166 175.328 -0.137 0.000 1.097 344 H CA 2.064 58.073 56.048 -0.064 0.000 1.311 344 H CB -0.339 29.384 29.762 -0.065 0.000 1.377 344 H HN 0.355 nan 8.280 nan 0.000 0.504 345 D N -0.330 119.898 120.400 -0.286 0.000 2.092 345 D HA -0.182 4.475 4.640 0.028 0.000 0.193 345 D C 2.278 178.456 176.300 -0.204 0.000 0.994 345 D CA 1.869 55.664 54.000 -0.341 0.000 0.828 345 D CB -0.523 39.858 40.800 -0.697 0.000 0.963 345 D HN 0.491 nan 8.370 nan 0.000 0.450 346 A N -0.189 122.526 122.820 -0.175 0.000 1.908 346 A HA -0.242 4.095 4.320 0.028 0.000 0.218 346 A C 2.201 179.769 177.584 -0.027 0.000 1.181 346 A CA 1.873 53.869 52.037 -0.068 0.000 0.627 346 A CB -0.793 18.155 19.000 -0.087 0.000 0.818 346 A HN 0.408 nan 8.150 nan 0.000 0.445 347 Q N -0.434 119.307 119.800 -0.099 0.000 2.224 347 Q HA -0.014 4.342 4.340 0.028 0.000 0.203 347 Q C 1.940 177.863 176.000 -0.129 0.000 0.970 347 Q CA 1.119 56.859 55.803 -0.105 0.000 0.865 347 Q CB -0.326 28.342 28.738 -0.117 0.000 0.922 347 Q HN 0.702 nan 8.270 nan 0.000 0.445 348 L N -0.792 120.320 121.223 -0.185 0.000 2.083 348 L HA -0.210 4.147 4.340 0.028 0.000 0.209 348 L C 2.255 179.115 176.870 -0.016 0.000 1.083 348 L CA 1.253 56.008 54.840 -0.141 0.000 0.752 348 L CB -0.447 41.514 42.059 -0.165 0.000 0.899 348 L HN 0.294 nan 8.230 nan 0.000 0.433 349 Y N 0.552 120.794 120.300 -0.098 0.000 2.206 349 Y HA -0.145 4.408 4.550 0.005 0.000 0.292 349 Y C 2.862 178.737 175.900 -0.042 0.000 1.123 349 Y CA 1.297 59.362 58.100 -0.057 0.000 1.142 349 Y CB -0.168 38.262 38.460 -0.049 0.000 1.006 349 Y HN -0.070 nan 8.280 nan 0.000 0.518 350 R N -0.481 119.959 120.500 -0.100 0.000 2.073 350 R HA -0.101 4.256 4.340 0.028 0.000 0.234 350 R C 1.564 177.765 176.300 -0.164 0.000 1.134 350 R CA 2.257 58.249 56.100 -0.180 0.000 0.952 350 R CB -0.281 29.994 30.300 -0.042 0.000 0.850 350 R HN 0.355 nan 8.270 nan 0.000 0.433 351 V N -1.666 118.185 119.914 -0.105 0.000 2.743 351 V HA 0.409 4.546 4.120 0.028 0.000 0.237 351 V C 0.796 176.869 176.094 -0.036 0.000 1.113 351 V CA 0.745 63.007 62.300 -0.063 0.000 1.141 351 V CB 0.806 32.594 31.823 -0.059 0.000 0.873 351 V HN 0.640 nan 8.190 nan 0.000 0.486 352 G N -1.433 107.340 108.800 -0.045 0.000 2.350 352 G HA2 0.430 4.407 3.960 0.028 0.000 0.304 352 G HA3 0.430 4.407 3.960 0.028 0.000 0.304 352 G C 0.276 175.143 174.900 -0.056 0.000 1.421 352 G CA 0.021 45.107 45.100 -0.023 0.000 0.934 352 G HN 0.412 nan 8.290 nan 0.000 0.632 353 A N -0.473 122.297 122.820 -0.084 0.000 1.948 353 A HA -0.048 4.289 4.320 0.028 0.000 0.220 353 A C 1.452 178.881 177.584 -0.258 0.000 1.177 353 A CA 2.104 54.020 52.037 -0.202 0.000 0.636 353 A CB -0.496 18.335 19.000 -0.281 0.000 0.815 353 A HN 0.732 nan 8.150 nan 0.000 0.449 354 H N -0.741 118.352 119.070 0.039 0.000 2.605 354 H HA 0.187 4.760 4.556 0.028 0.000 0.308 354 H C 1.716 177.098 175.328 0.089 0.000 1.080 354 H CA 0.466 56.570 56.048 0.093 0.000 1.119 354 H CB -0.024 29.851 29.762 0.189 0.000 1.479 354 H HN 0.278 nan 8.280 nan 0.000 0.537 355 V N 1.175 121.147 119.914 0.096 0.000 2.370 355 V HA -0.298 3.839 4.120 0.028 0.000 0.252 355 V C 1.503 177.630 176.094 0.055 0.000 1.068 355 V CA 1.936 64.264 62.300 0.046 0.000 1.061 355 V CB 0.001 31.806 31.823 -0.031 0.000 0.656 355 V HN 0.454 nan 8.190 nan 0.000 0.455 356 N N -0.337 118.416 118.700 0.088 0.000 2.521 356 N HA -0.020 4.737 4.740 0.028 0.000 0.188 356 N C 1.566 177.130 175.510 0.090 0.000 1.146 356 N CA 0.643 53.737 53.050 0.075 0.000 0.893 356 N CB 0.074 38.614 38.487 0.087 0.000 0.975 356 N HN 0.690 nan 8.380 nan 0.000 0.451 357 Q N -0.145 119.736 119.800 0.134 0.000 2.408 357 Q HA 0.186 4.543 4.340 0.028 0.000 0.205 357 Q C 0.252 176.255 176.000 0.006 0.000 0.919 357 Q CA -0.022 55.841 55.803 0.100 0.000 0.932 357 Q CB 0.671 29.511 28.738 0.170 0.000 1.058 357 Q HN 0.320 nan 8.270 nan 0.000 0.517 358 L N 1.924 123.144 121.223 -0.006 0.000 2.483 358 L HA -0.009 4.348 4.340 0.028 0.000 0.276 358 L C -1.484 175.344 176.870 -0.069 0.000 1.213 358 L CA -1.209 53.583 54.840 -0.079 0.000 0.843 358 L CB 0.012 42.036 42.059 -0.058 0.000 1.107 358 L HN -0.115 nan 8.230 nan 0.000 0.487 359 P HA -0.212 nan 4.420 nan 0.000 0.216 359 P C 1.670 178.952 177.300 -0.030 0.000 1.157 359 P CA 0.964 64.018 63.100 -0.077 0.000 0.880 359 P CB 0.217 31.857 31.700 -0.101 0.000 0.791 360 V N -0.340 119.567 119.914 -0.012 0.000 2.626 360 V HA -0.152 3.985 4.120 0.028 0.000 0.252 360 V C 1.384 177.527 176.094 0.082 0.000 1.067 360 V CA 1.922 64.261 62.300 0.065 0.000 1.081 360 V CB -0.917 30.927 31.823 0.035 0.000 0.686 360 V HN 0.121 nan 8.190 nan 0.000 0.468 361 N N -0.190 118.508 118.700 -0.004 0.000 2.299 361 N HA 0.122 4.878 4.740 0.028 0.000 0.187 361 N C 0.608 176.132 175.510 0.023 0.000 1.099 361 N CA 0.048 53.074 53.050 -0.041 0.000 0.867 361 N CB 0.104 38.544 38.487 -0.079 0.000 0.974 361 N HN 0.487 nan 8.380 nan 0.000 0.477 362 R N 1.548 122.083 120.500 0.058 0.000 2.491 362 R HA 0.236 4.593 4.340 0.028 0.000 0.283 362 R C -2.191 174.176 176.300 0.112 0.000 1.072 362 R CA -1.192 54.941 56.100 0.055 0.000 1.048 362 R CB 0.237 30.547 30.300 0.016 0.000 0.983 362 R HN 0.009 nan 8.270 nan 0.000 0.450 363 P HA 0.094 nan 4.420 nan 0.000 0.274 363 P C -0.131 177.223 177.300 0.090 0.000 1.246 363 P CA -0.375 62.791 63.100 0.110 0.000 0.795 363 P CB 0.753 32.487 31.700 0.056 0.000 1.006 364 K N 0.073 120.535 120.400 0.103 0.000 2.167 364 K HA -0.006 4.331 4.320 0.028 0.000 0.203 364 K C 1.018 177.629 176.600 0.018 0.000 1.052 364 K CA 0.797 57.110 56.287 0.042 0.000 0.956 364 K CB -0.223 32.307 32.500 0.050 0.000 0.735 364 K HN 0.592 nan 8.250 nan 0.000 0.451 365 N N 0.790 119.505 118.700 0.024 0.000 2.434 365 N HA 0.129 4.886 4.740 0.028 0.000 0.266 365 N C -0.717 174.800 175.510 0.011 0.000 1.223 365 N CA -0.296 52.760 53.050 0.010 0.000 0.972 365 N CB 0.740 39.230 38.487 0.007 0.000 1.207 365 N HN -0.133 nan 8.380 nan 0.000 0.525 366 A N 0.402 123.226 122.820 0.006 0.000 2.488 366 A HA 0.353 4.690 4.320 0.028 0.000 0.249 366 A C 0.070 177.674 177.584 0.034 0.000 1.083 366 A CA -0.594 51.452 52.037 0.013 0.000 0.768 366 A CB -0.099 18.905 19.000 0.006 0.000 1.017 366 A HN 0.481 nan 8.150 nan 0.000 0.496 367 V N 3.180 123.119 119.914 0.040 0.000 2.465 367 V HA 0.272 4.409 4.120 0.028 0.000 0.279 367 V C -0.020 176.128 176.094 0.090 0.000 1.045 367 V CA 0.026 62.357 62.300 0.052 0.000 0.938 367 V CB 1.004 32.846 31.823 0.033 0.000 0.986 367 V HN 0.970 nan 8.190 nan 0.000 0.467 368 H N 4.554 123.611 119.070 -0.021 0.000 2.607 368 H HA 0.392 4.966 4.556 0.030 0.000 0.248 368 H C -0.432 174.860 175.328 -0.061 0.000 1.355 368 H CA -0.121 55.901 56.048 -0.044 0.000 1.524 368 H CB 0.317 30.072 29.762 -0.011 0.000 1.563 368 H HN 0.700 nan 8.280 nan 0.000 0.509 369 N N 3.272 121.802 118.700 -0.284 0.000 2.269 369 N HA 0.083 4.840 4.740 0.028 0.000 0.304 369 N C -1.045 174.179 175.510 -0.477 0.000 1.072 369 N CA -0.586 52.334 53.050 -0.216 0.000 0.802 369 N CB 1.206 39.626 38.487 -0.112 0.000 1.348 369 N HN 0.385 nan 8.380 nan 0.000 0.484 370 Y N 1.743 121.921 120.300 -0.203 0.000 2.636 370 Y HA 0.415 4.981 4.550 0.027 0.000 0.334 370 Y C 0.244 175.927 175.900 -0.361 0.000 1.286 370 Y CA -0.165 57.801 58.100 -0.222 0.000 1.688 370 Y CB 0.165 38.663 38.460 0.062 0.000 1.662 370 Y HN 0.476 nan 8.280 nan 0.000 0.465 371 A N 2.580 124.900 122.820 -0.832 0.000 2.488 371 A HA 0.837 5.174 4.320 0.028 0.000 0.295 371 A C -1.537 175.446 177.584 -1.001 0.000 1.045 371 A CA -0.560 51.120 52.037 -0.596 0.000 0.703 371 A CB 0.963 19.801 19.000 -0.269 0.000 1.271 371 A HN 0.346 nan 8.150 nan 0.000 0.400 372 F N 0.687 120.522 119.950 -0.191 0.000 2.626 372 F HA 0.659 5.202 4.527 0.027 0.000 0.311 372 F C 0.540 175.848 175.800 -0.820 0.000 1.088 372 F CA -0.134 57.582 58.000 -0.474 0.000 0.949 372 F CB 1.510 40.428 39.000 -0.138 0.000 1.322 372 F HN 0.928 nan 8.300 nan 0.000 0.461 373 E N 0.318 119.649 120.200 -1.448 0.000 4.014 373 E HA 0.103 4.470 4.350 0.028 0.000 0.209 373 E C -0.005 176.327 176.600 -0.446 0.000 1.457 373 E CA 0.859 56.838 56.400 -0.702 0.000 2.314 373 E CB -1.163 28.423 29.700 -0.190 0.000 2.109 373 E HN 1.628 nan 8.360 nan 0.000 0.486 374 G N 0.155 108.868 108.800 -0.145 0.000 2.690 374 G HA2 -0.151 3.826 3.960 0.028 0.000 0.686 374 G HA3 -0.151 3.826 3.960 0.028 0.000 0.686 374 G C -0.766 174.187 174.900 0.089 0.000 1.277 374 G CA -0.020 45.044 45.100 -0.061 0.000 0.799 374 G HN 0.470 nan 8.290 nan 0.000 0.613 375 Q N 0.550 120.395 119.800 0.075 0.000 2.395 375 Q HA 0.430 4.787 4.340 0.028 0.000 0.271 375 Q C 1.115 177.235 176.000 0.199 0.000 1.026 375 Q CA 0.316 56.183 55.803 0.107 0.000 0.900 375 Q CB 0.214 28.989 28.738 0.062 0.000 1.266 375 Q HN 0.757 nan 8.270 nan 0.000 0.430 376 M N 0.368 120.035 119.600 0.111 0.000 2.297 376 M HA -0.210 4.287 4.480 0.028 0.000 0.200 376 M C -1.354 174.986 176.300 0.066 0.000 0.414 376 M CA 0.607 55.909 55.300 0.004 0.000 0.449 376 M CB -1.558 31.085 32.600 0.073 0.000 1.436 376 M HN 0.719 nan 8.290 nan 0.000 0.912 377 W N 1.261 122.465 121.300 -0.161 0.000 2.422 377 W HA 0.369 5.047 4.660 0.030 0.000 0.349 377 W C 0.402 176.776 176.519 -0.241 0.000 1.062 377 W CA -0.573 56.570 57.345 -0.336 0.000 1.497 377 W CB -0.320 29.043 29.460 -0.163 0.000 1.407 377 W HN 0.367 nan 8.180 nan 0.000 0.393 378 Y N 1.601 121.867 120.300 -0.058 0.000 2.206 378 Y HA -0.054 4.511 4.550 0.026 0.000 0.292 378 Y C 1.277 177.014 175.900 -0.272 0.000 1.123 378 Y CA 1.385 59.418 58.100 -0.113 0.000 1.142 378 Y CB 0.254 38.684 38.460 -0.050 0.000 1.006 378 Y HN -0.007 nan 8.280 nan 0.000 0.518 379 D N 0.323 120.593 120.400 -0.216 0.000 2.477 379 D HA 0.115 4.772 4.640 0.028 0.000 0.239 379 D C -0.729 175.164 176.300 -0.678 0.000 1.102 379 D CA -0.162 53.628 54.000 -0.350 0.000 0.901 379 D CB 0.144 40.849 40.800 -0.158 0.000 1.026 379 D HN 0.411 nan 8.370 nan 0.000 0.515 380 H N -1.620 116.909 119.070 -0.901 0.000 2.544 380 H HA 0.328 4.900 4.556 0.027 0.000 0.365 380 H C 1.030 176.032 175.328 -0.543 0.000 1.268 380 H CA -0.501 54.711 56.048 -1.394 0.000 1.400 380 H CB 0.531 29.430 29.762 -1.439 0.000 1.538 380 H HN 0.014 nan 8.280 nan 0.000 0.597 381 T N -1.936 112.591 114.554 -0.044 0.000 3.163 381 T HA 0.385 4.752 4.350 0.028 0.000 0.252 381 T C 1.213 176.053 174.700 0.233 0.000 1.056 381 T CA -0.051 62.164 62.100 0.191 0.000 0.947 381 T CB -0.940 68.199 68.868 0.451 0.000 1.016 381 T HN 1.123 nan 8.240 nan 0.000 0.554 382 G N 3.124 112.151 108.800 0.378 0.000 2.596 382 G HA2 -0.363 3.614 3.960 0.028 0.000 0.295 382 G HA3 -0.363 3.614 3.960 0.028 0.000 0.295 382 G C 0.285 175.262 174.900 0.128 0.000 1.240 382 G CA 0.378 45.612 45.100 0.223 0.000 0.985 382 G HN 0.687 nan 8.290 nan 0.000 0.555 383 D N 0.966 121.422 120.400 0.093 0.000 2.336 383 D HA 0.128 4.785 4.640 0.028 0.000 0.228 383 D C 1.038 177.382 176.300 0.073 0.000 1.120 383 D CA -0.131 53.909 54.000 0.068 0.000 0.839 383 D CB -0.229 40.601 40.800 0.050 0.000 0.932 383 D HN 0.621 nan 8.370 nan 0.000 0.509 384 R N 0.517 121.080 120.500 0.104 0.000 2.698 384 R HA 0.127 4.484 4.340 0.028 0.000 0.266 384 R C 0.171 176.494 176.300 0.038 0.000 1.026 384 R CA 0.033 56.196 56.100 0.105 0.000 1.102 384 R CB 0.473 30.872 30.300 0.165 0.000 0.978 384 R HN 0.041 nan 8.270 nan 0.000 0.436 385 S N 0.867 116.585 115.700 0.030 0.000 2.558 385 S HA -0.047 4.439 4.470 0.028 0.000 0.288 385 S C 1.228 175.778 174.600 -0.084 0.000 1.318 385 S CA 0.101 58.260 58.200 -0.068 0.000 1.056 385 S CB 0.944 64.013 63.200 -0.218 0.000 0.853 385 S HN 0.768 nan 8.310 nan 0.000 0.505 386 T N -0.656 113.811 114.554 -0.144 0.000 3.105 386 T HA 0.308 4.675 4.350 0.028 0.000 0.253 386 T C -0.189 174.623 174.700 0.187 0.000 1.047 386 T CA -0.217 61.709 62.100 -0.290 0.000 0.944 386 T CB -0.564 68.014 68.868 -0.484 0.000 1.016 386 T HN 0.674 nan 8.240 nan 0.000 0.544 387 Y N -0.611 119.747 120.300 0.095 0.000 2.638 387 Y HA 0.777 5.344 4.550 0.027 0.000 0.335 387 Y C -1.291 174.491 175.900 -0.197 0.000 1.155 387 Y CA -2.157 55.911 58.100 -0.054 0.000 1.046 387 Y CB 1.289 39.696 38.460 -0.088 0.000 1.303 387 Y HN 0.178 nan 8.280 nan 0.000 0.460 388 V N -1.085 118.606 119.914 -0.372 0.000 3.114 388 V HA 0.839 4.976 4.120 0.028 0.000 0.308 388 V C -2.855 172.865 176.094 -0.625 0.000 1.168 388 V CA -2.355 59.466 62.300 -0.798 0.000 1.015 388 V CB 1.152 32.334 31.823 -1.069 0.000 1.050 388 V HN 0.812 nan 8.190 nan 0.000 0.433 389 P HA 0.312 nan 4.420 nan 0.000 0.269 389 P C -1.058 175.826 177.300 -0.694 0.000 1.211 389 P CA 0.239 62.473 63.100 -1.444 0.000 0.781 389 P CB 0.058 31.324 31.700 -0.724 0.000 0.877 390 N N -2.193 116.138 118.700 -0.615 0.000 2.405 390 N HA 0.413 5.170 4.740 0.028 0.000 0.285 390 N C -0.655 174.891 175.510 0.060 0.000 1.262 390 N CA -0.888 52.034 53.050 -0.213 0.000 0.773 390 N CB 1.082 39.254 38.487 -0.525 0.000 1.490 390 N HN 0.003 nan 8.380 nan 0.000 0.486 391 S N -0.363 115.400 115.700 0.106 0.000 2.573 391 S HA 0.216 4.703 4.470 0.028 0.000 0.244 391 S C -0.078 174.590 174.600 0.113 0.000 0.984 391 S CA -0.529 57.746 58.200 0.125 0.000 1.001 391 S CB -0.732 62.534 63.200 0.109 0.000 0.788 391 S HN 0.544 nan 8.310 nan 0.000 0.456 392 N N 0.821 119.588 118.700 0.112 0.000 2.200 392 N HA 0.191 4.948 4.740 0.028 0.000 0.224 392 N C 1.014 176.590 175.510 0.109 0.000 1.179 392 N CA 0.442 53.550 53.050 0.097 0.000 0.877 392 N CB 1.064 39.596 38.487 0.075 0.000 1.072 392 N HN 0.451 nan 8.380 nan 0.000 0.519 393 G N 1.152 110.037 108.800 0.142 0.000 2.143 393 G HA2 -0.212 3.765 3.960 0.028 0.000 0.248 393 G HA3 -0.212 3.765 3.960 0.028 0.000 0.248 393 G C -0.758 174.228 174.900 0.142 0.000 0.991 393 G CA -0.130 45.041 45.100 0.118 0.000 0.689 393 G HN 0.251 nan 8.290 nan 0.000 0.522 394 D N 1.469 122.009 120.400 0.232 0.000 2.396 394 D HA 0.462 5.119 4.640 0.028 0.000 0.225 394 D C 1.037 177.634 176.300 0.495 0.000 1.121 394 D CA 0.588 54.778 54.000 0.317 0.000 0.853 394 D CB 1.290 42.267 40.800 0.296 0.000 1.043 394 D HN 0.508 nan 8.370 nan 0.000 0.500 395 S N 2.159 118.062 115.700 0.337 0.000 2.589 395 S HA 0.514 5.001 4.470 0.028 0.000 0.265 395 S C -0.184 174.753 174.600 0.562 0.000 1.342 395 S CA -0.544 57.749 58.200 0.154 0.000 1.005 395 S CB 0.795 63.917 63.200 -0.131 0.000 0.909 395 S HN 0.605 nan 8.310 nan 0.000 0.555 396 W N -0.689 120.748 121.300 0.228 0.000 3.018 396 W HA 0.775 5.452 4.660 0.028 0.000 0.352 396 W C -1.361 175.218 176.519 0.101 0.000 1.230 396 W CA -0.965 56.499 57.345 0.198 0.000 1.162 396 W CB 0.552 29.991 29.460 -0.036 0.000 1.483 396 W HN 0.553 nan 8.180 nan 0.000 0.584 397 S N 0.865 116.712 115.700 0.246 0.000 2.565 397 S HA 0.417 4.904 4.470 0.028 0.000 0.290 397 S C -1.202 173.525 174.600 0.212 0.000 1.150 397 S CA -0.338 57.932 58.200 0.117 0.000 1.058 397 S CB 1.337 64.606 63.200 0.115 0.000 1.032 397 S HN 0.499 nan 8.310 nan 0.000 0.510 398 D N 1.433 121.899 120.400 0.110 0.000 3.404 398 D HA 0.064 4.721 4.640 0.028 0.000 0.329 398 D C -0.815 175.521 176.300 0.060 0.000 1.421 398 D CA -0.258 53.823 54.000 0.135 0.000 0.742 398 D CB 0.176 41.121 40.800 0.241 0.000 1.290 398 D HN 0.492 nan 8.370 nan 0.000 0.600 399 E N 0.562 120.782 120.200 0.033 0.000 2.344 399 E HA 0.296 4.663 4.350 0.028 0.000 0.270 399 E C 0.270 176.878 176.600 0.014 0.000 1.021 399 E CA 0.193 56.600 56.400 0.012 0.000 0.887 399 E CB 0.963 30.663 29.700 -0.000 0.000 0.997 399 E HN 0.351 nan 8.360 nan 0.000 0.429 400 T N -0.102 114.457 114.554 0.008 0.000 2.918 400 T HA 0.727 5.094 4.350 0.028 0.000 0.286 400 T C 0.490 175.186 174.700 -0.006 0.000 1.026 400 T CA -0.135 61.968 62.100 0.005 0.000 1.031 400 T CB 1.883 70.758 68.868 0.011 0.000 1.046 400 T HN 0.739 nan 8.240 nan 0.000 0.479 401 G N 2.112 110.906 108.800 -0.010 0.000 2.610 401 G HA2 0.053 4.030 3.960 0.028 0.000 0.304 401 G HA3 0.053 4.030 3.960 0.028 0.000 0.304 401 G C -2.737 172.147 174.900 -0.026 0.000 1.309 401 G CA -0.905 44.185 45.100 -0.017 0.000 0.906 401 G HN 0.913 nan 8.290 nan 0.000 0.521 402 P HA 0.402 nan 4.420 nan 0.000 0.264 402 P C 0.736 178.011 177.300 -0.042 0.000 1.183 402 P CA 0.148 63.224 63.100 -0.041 0.000 0.763 402 P CB 0.695 32.373 31.700 -0.037 0.000 0.807 403 V N 0.077 119.960 119.914 -0.052 0.000 3.264 403 V HA 0.164 4.301 4.120 0.028 0.000 0.304 403 V C 1.104 177.173 176.094 -0.042 0.000 1.086 403 V CA -0.067 62.207 62.300 -0.043 0.000 1.090 403 V CB 0.814 32.608 31.823 -0.047 0.000 1.112 403 V HN 0.583 nan 8.190 nan 0.000 0.472 404 D N 0.353 120.733 120.400 -0.033 0.000 2.323 404 D HA -0.075 4.581 4.640 0.028 0.000 0.209 404 D C 0.633 176.918 176.300 -0.025 0.000 0.973 404 D CA 1.005 54.982 54.000 -0.038 0.000 0.874 404 D CB -0.282 40.495 40.800 -0.038 0.000 0.930 404 D HN 0.850 nan 8.370 nan 0.000 0.521 405 D N -0.454 119.951 120.400 0.009 0.000 2.891 405 D HA 0.310 4.967 4.640 0.028 0.000 0.312 405 D C 0.549 176.930 176.300 0.136 0.000 1.354 405 D CA -0.756 53.289 54.000 0.075 0.000 0.838 405 D CB 0.135 40.994 40.800 0.098 0.000 1.117 405 D HN 0.153 nan 8.370 nan 0.000 0.473 406 G N -0.300 108.551 108.800 0.084 0.000 3.209 406 G HA2 0.742 4.719 3.960 0.028 0.000 0.236 406 G HA3 0.742 4.719 3.960 0.028 0.000 0.236 406 G C -1.327 173.769 174.900 0.327 0.000 1.329 406 G CA -0.717 44.406 45.100 0.038 0.000 1.015 406 G HN 0.302 nan 8.290 nan 0.000 0.571 407 W N -2.203 119.197 121.300 0.167 0.000 2.799 407 W HA 0.736 5.412 4.660 0.027 0.000 0.416 407 W C -1.655 174.961 176.519 0.162 0.000 1.108 407 W CA -0.943 56.569 57.345 0.277 0.000 1.169 407 W CB 0.651 30.335 29.460 0.372 0.000 1.471 407 W HN 0.541 nan 8.180 nan 0.000 0.586 408 E N 1.186 121.662 120.200 0.461 0.000 2.212 408 E HA 0.805 5.172 4.350 0.028 0.000 0.270 408 E C -0.660 176.111 176.600 0.284 0.000 0.956 408 E CA -0.604 55.942 56.400 0.245 0.000 0.825 408 E CB 1.885 31.715 29.700 0.218 0.000 1.167 408 E HN 0.788 nan 8.360 nan 0.000 0.400 409 A N 1.866 124.771 122.820 0.141 0.000 2.606 409 A HA 0.691 5.028 4.320 0.028 0.000 0.293 409 A C -1.875 175.752 177.584 0.071 0.000 1.082 409 A CA -0.784 51.329 52.037 0.127 0.000 0.685 409 A CB 1.427 20.505 19.000 0.131 0.000 1.284 409 A HN 0.709 nan 8.150 nan 0.000 0.408 410 D N 0.309 120.745 120.400 0.061 0.000 2.871 410 D HA 0.545 5.202 4.640 0.028 0.000 0.209 410 D C -0.337 175.984 176.300 0.035 0.000 1.292 410 D CA 0.317 54.342 54.000 0.042 0.000 0.869 410 D CB 1.344 42.169 40.800 0.041 0.000 1.663 410 D HN 1.736 nan 8.370 nan 0.000 0.557 411 G N 0.355 109.171 108.800 0.027 0.000 2.324 411 G HA2 0.353 4.330 3.960 0.028 0.000 0.293 411 G HA3 0.353 4.330 3.960 0.028 0.000 0.293 411 G C -1.439 173.472 174.900 0.019 0.000 1.297 411 G CA -0.528 44.586 45.100 0.023 0.000 0.853 411 G HN 0.557 nan 8.290 nan 0.000 0.535 412 T N 0.089 114.653 114.554 0.017 0.000 2.922 412 T HA 0.582 4.949 4.350 0.028 0.000 0.285 412 T C 0.701 175.410 174.700 0.015 0.000 1.005 412 T CA -0.488 61.620 62.100 0.014 0.000 1.061 412 T CB 0.367 69.242 68.868 0.012 0.000 1.007 412 T HN 0.490 nan 8.240 nan 0.000 0.502 413 L N 3.514 124.745 121.223 0.013 0.000 2.462 413 L HA 0.354 4.711 4.340 0.028 0.000 0.272 413 L C 0.766 177.645 176.870 0.015 0.000 1.166 413 L CA 0.060 54.909 54.840 0.014 0.000 0.880 413 L CB 0.641 42.706 42.059 0.011 0.000 1.142 413 L HN 0.628 nan 8.230 nan 0.000 0.473 414 T N 3.695 118.260 114.554 0.018 0.000 2.843 414 T HA 0.506 4.873 4.350 0.028 0.000 0.302 414 T C -0.925 173.788 174.700 0.022 0.000 1.232 414 T CA -0.780 61.331 62.100 0.019 0.000 1.009 414 T CB 1.370 70.249 68.868 0.018 0.000 1.254 414 T HN 0.595 nan 8.240 nan 0.000 0.504 415 R N 2.778 123.292 120.500 0.023 0.000 2.412 415 R HA 0.513 4.870 4.340 0.028 0.000 0.304 415 R C -0.724 175.591 176.300 0.025 0.000 1.066 415 R CA -0.647 55.470 56.100 0.028 0.000 0.923 415 R CB 1.116 31.433 30.300 0.030 0.000 1.156 415 R HN 0.789 nan 8.270 nan 0.000 0.513 416 E N 1.329 121.545 120.200 0.026 0.000 2.423 416 E HA 0.561 4.928 4.350 0.028 0.000 0.280 416 E C -1.346 175.268 176.600 0.023 0.000 1.030 416 E CA -1.177 55.236 56.400 0.021 0.000 0.812 416 E CB 1.108 30.818 29.700 0.016 0.000 1.313 416 E HN 0.348 nan 8.360 nan 0.000 0.456 417 A N 1.440 124.271 122.820 0.018 0.000 2.466 417 A HA 0.187 4.524 4.320 0.028 0.000 0.238 417 A C -0.064 177.528 177.584 0.014 0.000 1.074 417 A CA -0.125 51.922 52.037 0.016 0.000 0.774 417 A CB 0.018 19.023 19.000 0.008 0.000 1.015 417 A HN 0.540 nan 8.150 nan 0.000 0.498 418 Q N 0.390 120.199 119.800 0.015 0.000 2.386 418 Q HA 0.403 4.760 4.340 0.028 0.000 0.282 418 Q C 0.539 176.541 176.000 0.004 0.000 1.050 418 Q CA 0.853 56.663 55.803 0.012 0.000 0.918 418 Q CB 0.409 29.157 28.738 0.016 0.000 1.266 418 Q HN 0.897 nan 8.270 nan 0.000 0.423 419 A N 2.757 125.579 122.820 0.003 0.000 2.462 419 A HA 0.250 4.587 4.320 0.028 0.000 0.243 419 A C -0.499 177.078 177.584 -0.012 0.000 1.076 419 A CA -0.368 51.666 52.037 -0.004 0.000 0.773 419 A CB 0.056 19.054 19.000 -0.003 0.000 1.010 419 A HN 0.692 nan 8.150 nan 0.000 0.493 420 L N 3.435 124.646 121.223 -0.020 0.000 2.331 420 L HA 0.261 4.618 4.340 0.028 0.000 0.278 420 L C 0.763 177.603 176.870 -0.050 0.000 1.106 420 L CA -0.757 54.064 54.840 -0.032 0.000 0.824 420 L CB 0.334 42.372 42.059 -0.035 0.000 1.142 420 L HN 0.733 nan 8.230 nan 0.000 0.443 421 R N 2.049 122.508 120.500 -0.068 0.000 2.738 421 R HA 0.209 4.566 4.340 0.028 0.000 0.275 421 R C 1.157 177.363 176.300 -0.156 0.000 1.121 421 R CA 0.217 56.249 56.100 -0.113 0.000 1.207 421 R CB 0.109 30.324 30.300 -0.143 0.000 1.141 421 R HN 0.776 nan 8.270 nan 0.000 0.571 422 A N 0.741 123.439 122.820 -0.203 0.000 1.917 422 A HA -0.197 4.140 4.320 0.028 0.000 0.219 422 A C 0.781 178.211 177.584 -0.258 0.000 1.182 422 A CA 2.017 53.927 52.037 -0.212 0.000 0.633 422 A CB -0.188 18.674 19.000 -0.231 0.000 0.819 422 A HN 0.610 nan 8.150 nan 0.000 0.448 423 D N -0.121 120.030 120.400 -0.415 0.000 2.402 423 D HA 0.141 4.798 4.640 0.028 0.000 0.216 423 D C -0.744 175.402 176.300 -0.257 0.000 1.128 423 D CA -0.189 53.516 54.000 -0.491 0.000 0.833 423 D CB 0.060 40.248 40.800 -1.022 0.000 0.971 423 D HN 0.281 nan 8.370 nan 0.000 0.503 424 D N 1.920 122.248 120.400 -0.121 0.000 2.350 424 D HA 0.240 4.897 4.640 0.028 0.000 0.249 424 D C 0.447 176.750 176.300 0.006 0.000 1.119 424 D CA 0.395 54.419 54.000 0.040 0.000 0.886 424 D CB 1.319 42.124 40.800 0.009 0.000 1.195 424 D HN 0.138 nan 8.370 nan 0.000 0.437 425 D N 0.174 120.582 120.400 0.012 0.000 2.779 425 D HA 0.088 4.745 4.640 0.028 0.000 0.331 425 D C -0.325 175.890 176.300 -0.141 0.000 1.331 425 D CA -0.386 53.589 54.000 -0.042 0.000 0.866 425 D CB 0.626 41.428 40.800 0.003 0.000 1.409 425 D HN -0.036 nan 8.370 nan 0.000 0.486 426 D N -1.029 119.190 120.400 -0.302 0.000 2.333 426 D HA 0.182 4.839 4.640 0.028 0.000 0.208 426 D C 0.890 176.714 176.300 -0.793 0.000 0.984 426 D CA 0.631 54.253 54.000 -0.630 0.000 0.873 426 D CB 0.212 40.423 40.800 -0.982 0.000 0.935 426 D HN 0.310 nan 8.370 nan 0.000 0.521 427 F N -0.533 119.320 119.950 -0.162 0.000 2.752 427 F HA 0.269 4.813 4.527 0.029 0.000 0.310 427 F C 2.337 178.029 175.800 -0.181 0.000 1.097 427 F CA -0.244 57.636 58.000 -0.200 0.000 1.238 427 F CB 0.266 39.153 39.000 -0.188 0.000 1.061 427 F HN -0.097 nan 8.300 nan 0.000 0.591 428 G N -0.018 108.779 108.800 -0.005 0.000 2.402 428 G HA2 -0.169 3.808 3.960 0.028 0.000 0.216 428 G HA3 -0.169 3.808 3.960 0.028 0.000 0.216 428 G C 1.452 176.261 174.900 -0.151 0.000 1.162 428 G CA 0.505 45.585 45.100 -0.033 0.000 0.777 428 G HN 0.280 nan 8.290 nan 0.000 0.539 429 Q N 0.193 119.804 119.800 -0.315 0.000 2.119 429 Q HA 0.060 4.417 4.340 0.028 0.000 0.201 429 Q C 3.013 178.633 176.000 -0.633 0.000 0.972 429 Q CA 0.946 56.401 55.803 -0.579 0.000 0.847 429 Q CB -0.223 27.953 28.738 -0.937 0.000 0.903 429 Q HN 0.462 nan 8.270 nan 0.000 0.433 430 A N 1.224 123.738 122.820 -0.511 0.000 1.908 430 A HA -0.155 4.182 4.320 0.028 0.000 0.218 430 A C 2.298 179.785 177.584 -0.162 0.000 1.181 430 A CA 1.793 53.702 52.037 -0.213 0.000 0.627 430 A CB -1.221 17.750 19.000 -0.047 0.000 0.818 430 A HN 0.480 nan 8.150 nan 0.000 0.445 431 G N -1.380 107.346 108.800 -0.123 0.000 2.422 431 G HA2 -0.123 3.854 3.960 0.028 0.000 0.218 431 G HA3 -0.123 3.854 3.960 0.028 0.000 0.218 431 G C 1.552 176.358 174.900 -0.156 0.000 1.146 431 G CA 1.602 46.643 45.100 -0.099 0.000 0.769 431 G HN 0.437 nan 8.290 nan 0.000 0.547 432 T N 1.169 115.618 114.554 -0.174 0.000 2.746 432 T HA -0.131 4.236 4.350 0.028 0.000 0.267 432 T C 2.227 176.784 174.700 -0.239 0.000 1.039 432 T CA 1.170 63.168 62.100 -0.170 0.000 1.142 432 T CB -0.235 68.545 68.868 -0.147 0.000 0.866 432 T HN 0.131 nan 8.240 nan 0.000 0.444 433 L N 1.385 122.422 121.223 -0.309 0.000 1.989 433 L HA -0.058 4.299 4.340 0.028 0.000 0.211 433 L C 2.462 178.801 176.870 -0.885 0.000 1.071 433 L CA 1.635 56.187 54.840 -0.481 0.000 0.749 433 L CB -0.912 40.926 42.059 -0.369 0.000 0.890 433 L HN 0.085 nan 8.230 nan 0.000 0.431 434 V N -0.148 119.302 119.914 -0.773 0.000 2.295 434 V HA -0.261 3.875 4.120 0.028 0.000 0.246 434 V C 2.735 178.617 176.094 -0.355 0.000 1.049 434 V CA 2.188 64.040 62.300 -0.747 0.000 1.024 434 V CB -0.604 30.983 31.823 -0.394 0.000 0.648 434 V HN 0.450 nan 8.190 nan 0.000 0.447 435 R N -0.627 119.734 120.500 -0.232 0.000 2.080 435 R HA -0.017 4.340 4.340 0.028 0.000 0.222 435 R C 2.138 178.383 176.300 -0.090 0.000 1.107 435 R CA 1.041 57.072 56.100 -0.115 0.000 0.980 435 R CB -0.016 30.233 30.300 -0.084 0.000 0.879 435 R HN 0.485 nan 8.270 nan 0.000 0.439 436 E N -0.447 119.681 120.200 -0.119 0.000 2.364 436 E HA 0.039 4.406 4.350 0.028 0.000 0.203 436 E C 1.968 178.533 176.600 -0.059 0.000 0.888 436 E CA 0.468 56.824 56.400 -0.074 0.000 0.989 436 E CB 0.405 30.064 29.700 -0.069 0.000 0.985 436 E HN 0.053 nan 8.360 nan 0.000 0.499 437 V N 1.125 120.977 119.914 -0.103 0.000 2.436 437 V HA 0.024 4.161 4.120 0.028 0.000 0.240 437 V C 0.875 177.027 176.094 0.096 0.000 1.040 437 V CA 0.537 62.816 62.300 -0.036 0.000 1.052 437 V CB -0.234 31.542 31.823 -0.079 0.000 0.707 437 V HN 0.023 nan 8.190 nan 0.000 0.469 438 F N 2.320 122.222 119.950 -0.079 0.000 2.595 438 F HA 0.228 4.772 4.527 0.028 0.000 0.359 438 F C 1.242 177.006 175.800 -0.060 0.000 1.147 438 F CA -0.471 57.477 58.000 -0.086 0.000 1.341 438 F CB -0.105 38.812 39.000 -0.138 0.000 1.104 438 F HN 0.186 nan 8.300 nan 0.000 0.603 439 S N 0.926 116.706 115.700 0.133 0.000 2.655 439 S HA 0.169 4.655 4.470 0.028 0.000 0.265 439 S C 0.800 175.430 174.600 0.049 0.000 1.240 439 S CA -0.652 57.583 58.200 0.059 0.000 0.986 439 S CB 0.920 64.132 63.200 0.020 0.000 0.985 439 S HN 0.504 nan 8.310 nan 0.000 0.562 440 D N 0.338 120.755 120.400 0.028 0.000 2.123 440 D HA -0.104 4.553 4.640 0.028 0.000 0.196 440 D C 1.929 178.234 176.300 0.008 0.000 0.992 440 D CA 1.606 55.619 54.000 0.022 0.000 0.833 440 D CB -0.434 40.374 40.800 0.014 0.000 0.954 440 D HN 0.689 nan 8.370 nan 0.000 0.455 441 Q N 0.900 120.696 119.800 -0.006 0.000 2.119 441 Q HA -0.121 4.236 4.340 0.028 0.000 0.201 441 Q C 1.736 177.706 176.000 -0.050 0.000 0.972 441 Q CA 1.434 57.225 55.803 -0.021 0.000 0.847 441 Q CB -0.080 28.646 28.738 -0.021 0.000 0.903 441 Q HN 0.329 nan 8.270 nan 0.000 0.433 442 E N -0.470 119.677 120.200 -0.088 0.000 2.110 442 E HA -0.171 4.195 4.350 0.028 0.000 0.193 442 E C 2.140 178.618 176.600 -0.203 0.000 0.988 442 E CA 0.904 57.169 56.400 -0.226 0.000 0.804 442 E CB -0.066 29.406 29.700 -0.381 0.000 0.745 442 E HN 0.281 nan 8.360 nan 0.000 0.458 443 R N 0.731 121.207 120.500 -0.039 0.000 2.081 443 R HA -0.137 4.220 4.340 0.028 0.000 0.235 443 R C 1.842 178.197 176.300 0.091 0.000 1.131 443 R CA 1.451 57.599 56.100 0.080 0.000 0.960 443 R CB -0.120 30.242 30.300 0.103 0.000 0.856 443 R HN 0.155 nan 8.270 nan 0.000 0.436 444 D N 0.597 121.018 120.400 0.036 0.000 2.104 444 D HA -0.149 4.508 4.640 0.028 0.000 0.194 444 D C 1.425 177.735 176.300 0.017 0.000 0.994 444 D CA 1.295 55.310 54.000 0.025 0.000 0.830 444 D CB -0.338 40.464 40.800 0.004 0.000 0.959 444 D HN 0.140 nan 8.370 nan 0.000 0.452 445 D N -0.400 119.997 120.400 -0.004 0.000 2.144 445 D HA -0.120 4.537 4.640 0.028 0.000 0.200 445 D C 1.810 178.111 176.300 0.001 0.000 0.978 445 D CA 0.261 54.249 54.000 -0.019 0.000 0.833 445 D CB -0.481 40.290 40.800 -0.048 0.000 0.961 445 D HN 0.208 nan 8.370 nan 0.000 0.470 446 F N 1.255 121.118 119.950 -0.146 0.000 2.134 446 F HA -0.228 4.316 4.527 0.028 0.000 0.299 446 F C 2.147 177.875 175.800 -0.120 0.000 1.097 446 F CA 1.049 58.970 58.000 -0.131 0.000 1.264 446 F CB -0.098 38.848 39.000 -0.091 0.000 1.001 446 F HN -0.212 nan 8.300 nan 0.000 0.479 447 V N 0.645 120.588 119.914 0.049 0.000 2.287 447 V HA -0.280 3.857 4.120 0.028 0.000 0.248 447 V C 2.393 178.397 176.094 -0.150 0.000 1.053 447 V CA 2.170 64.421 62.300 -0.082 0.000 1.027 447 V CB -0.687 31.138 31.823 0.003 0.000 0.646 447 V HN 0.318 nan 8.190 nan 0.000 0.447 448 E N 0.008 120.151 120.200 -0.095 0.000 2.110 448 E HA -0.169 4.198 4.350 0.028 0.000 0.193 448 E C 2.299 178.828 176.600 -0.118 0.000 0.988 448 E CA 1.815 58.160 56.400 -0.092 0.000 0.804 448 E CB -0.605 29.060 29.700 -0.058 0.000 0.745 448 E HN 0.607 nan 8.360 nan 0.000 0.458 449 T N 1.287 115.752 114.554 -0.149 0.000 2.701 449 T HA -0.086 4.281 4.350 0.028 0.000 0.263 449 T C 2.208 176.799 174.700 -0.183 0.000 1.040 449 T CA 1.371 63.385 62.100 -0.144 0.000 1.147 449 T CB -0.257 68.523 68.868 -0.146 0.000 0.865 449 T HN -0.030 nan 8.240 nan 0.000 0.426 450 V N 1.760 121.442 119.914 -0.387 0.000 2.358 450 V HA -0.127 4.010 4.120 0.028 0.000 0.246 450 V C 2.897 178.837 176.094 -0.256 0.000 1.047 450 V CA 1.605 63.667 62.300 -0.397 0.000 1.035 450 V CB -1.250 30.029 31.823 -0.907 0.000 0.658 450 V HN 0.518 nan 8.190 nan 0.000 0.452 451 A N 0.718 123.398 122.820 -0.233 0.000 1.908 451 A HA -0.125 4.212 4.320 0.028 0.000 0.218 451 A C 2.431 179.951 177.584 -0.107 0.000 1.181 451 A CA 2.060 54.010 52.037 -0.146 0.000 0.627 451 A CB -1.284 17.646 19.000 -0.117 0.000 0.818 451 A HN 0.530 nan 8.150 nan 0.000 0.445 452 G N -0.592 108.153 108.800 -0.093 0.000 2.418 452 G HA2 0.005 3.982 3.960 0.028 0.000 0.217 452 G HA3 0.005 3.982 3.960 0.028 0.000 0.217 452 G C 1.694 176.591 174.900 -0.006 0.000 1.158 452 G CA 1.362 46.424 45.100 -0.063 0.000 0.771 452 G HN 0.856 nan 8.290 nan 0.000 0.545 453 A N 0.130 122.986 122.820 0.059 0.000 2.070 453 A HA 0.194 4.531 4.320 0.028 0.000 0.220 453 A C 2.222 179.950 177.584 0.239 0.000 1.159 453 A CA 0.902 53.087 52.037 0.247 0.000 0.656 453 A CB -0.219 19.077 19.000 0.494 0.000 0.800 453 A HN 0.376 nan 8.150 nan 0.000 0.453 454 L N -1.070 120.131 121.223 -0.037 0.000 2.567 454 L HA 0.109 4.466 4.340 0.028 0.000 0.225 454 L C 1.018 177.845 176.870 -0.071 0.000 1.119 454 L CA -0.089 54.636 54.840 -0.193 0.000 0.871 454 L CB -0.036 41.824 42.059 -0.332 0.000 1.036 454 L HN 0.231 nan 8.230 nan 0.000 0.459 455 K N 0.790 121.166 120.400 -0.040 0.000 2.416 455 K HA 0.186 4.523 4.320 0.028 0.000 0.283 455 K C 1.108 177.717 176.600 0.015 0.000 1.037 455 K CA 0.888 57.147 56.287 -0.047 0.000 0.995 455 K CB 0.406 32.820 32.500 -0.144 0.000 0.938 455 K HN 0.192 nan 8.250 nan 0.000 0.475 456 G N 2.197 111.037 108.800 0.068 0.000 2.179 456 G HA2 -0.252 3.725 3.960 0.028 0.000 0.260 456 G HA3 -0.252 3.725 3.960 0.028 0.000 0.260 456 G C 0.122 175.048 174.900 0.044 0.000 0.977 456 G CA 0.153 45.298 45.100 0.076 0.000 0.641 456 G HN 0.528 nan 8.290 nan 0.000 0.533 457 V N 1.418 121.347 119.914 0.024 0.000 2.740 457 V HA 0.276 4.413 4.120 0.028 0.000 0.303 457 V C 1.528 177.619 176.094 -0.006 0.000 1.054 457 V CA -0.089 62.220 62.300 0.015 0.000 1.106 457 V CB 1.240 33.054 31.823 -0.016 0.000 0.957 457 V HN 0.545 nan 8.190 nan 0.000 0.486 458 R N 2.354 122.854 120.500 0.001 0.000 2.640 458 R HA -0.011 4.346 4.340 0.028 0.000 0.270 458 R C 1.368 177.646 176.300 -0.035 0.000 1.024 458 R CA 0.278 56.374 56.100 -0.008 0.000 1.085 458 R CB 0.243 30.542 30.300 -0.001 0.000 0.963 458 R HN 0.833 nan 8.270 nan 0.000 0.426 459 Q N 1.876 121.659 119.800 -0.028 0.000 2.167 459 Q HA -0.205 4.152 4.340 0.028 0.000 0.202 459 Q C 1.096 177.053 176.000 -0.072 0.000 0.970 459 Q CA 2.010 57.787 55.803 -0.044 0.000 0.855 459 Q CB 0.109 28.844 28.738 -0.005 0.000 0.911 459 Q HN 0.801 nan 8.270 nan 0.000 0.438 460 D N -0.442 119.931 120.400 -0.045 0.000 2.123 460 D HA -0.173 4.484 4.640 0.028 0.000 0.196 460 D C 1.787 178.041 176.300 -0.076 0.000 0.992 460 D CA 1.461 55.433 54.000 -0.046 0.000 0.833 460 D CB -0.628 40.160 40.800 -0.020 0.000 0.954 460 D HN 0.239 nan 8.370 nan 0.000 0.455 461 V N 0.828 120.698 119.914 -0.073 0.000 2.358 461 V HA -0.237 3.900 4.120 0.028 0.000 0.246 461 V C 2.796 178.768 176.094 -0.203 0.000 1.047 461 V CA 1.743 63.998 62.300 -0.075 0.000 1.035 461 V CB -0.768 31.053 31.823 -0.003 0.000 0.658 461 V HN 0.180 nan 8.190 nan 0.000 0.452 462 Q N 0.102 119.722 119.800 -0.300 0.000 2.061 462 Q HA -0.223 4.134 4.340 0.028 0.000 0.204 462 Q C 2.453 177.853 176.000 -1.000 0.000 0.984 462 Q CA 1.947 57.366 55.803 -0.640 0.000 0.846 462 Q CB -0.468 27.945 28.738 -0.543 0.000 0.902 462 Q HN 0.672 nan 8.270 nan 0.000 0.421 463 A N 1.323 123.805 122.820 -0.563 0.000 1.902 463 A HA -0.209 4.128 4.320 0.028 0.000 0.217 463 A C 2.013 179.476 177.584 -0.201 0.000 1.181 463 A CA 1.367 53.205 52.037 -0.331 0.000 0.623 463 A CB -0.424 18.536 19.000 -0.067 0.000 0.818 463 A HN 0.222 nan 8.150 nan 0.000 0.443 464 R N -0.608 119.797 120.500 -0.158 0.000 2.096 464 R HA -0.077 4.280 4.340 0.028 0.000 0.235 464 R C 2.443 178.709 176.300 -0.057 0.000 1.127 464 R CA 1.153 57.218 56.100 -0.059 0.000 0.968 464 R CB -0.467 29.817 30.300 -0.027 0.000 0.861 464 R HN 0.520 nan 8.270 nan 0.000 0.440 465 A N 0.941 123.646 122.820 -0.192 0.000 1.933 465 A HA -0.137 4.200 4.320 0.028 0.000 0.218 465 A C 1.773 179.428 177.584 0.119 0.000 1.175 465 A CA 1.115 53.061 52.037 -0.152 0.000 0.628 465 A CB -0.485 18.297 19.000 -0.362 0.000 0.814 465 A HN 0.149 nan 8.150 nan 0.000 0.444 466 F N 0.176 120.183 119.950 0.095 0.000 2.134 466 F HA -0.105 4.439 4.527 0.029 0.000 0.299 466 F C 2.296 178.169 175.800 0.120 0.000 1.097 466 F CA 1.030 59.107 58.000 0.130 0.000 1.264 466 F CB -1.009 38.029 39.000 0.062 0.000 1.001 466 F HN 0.457 nan 8.300 nan 0.000 0.479 467 E N -0.635 119.706 120.200 0.235 0.000 2.077 467 E HA -0.281 4.086 4.350 0.028 0.000 0.193 467 E C 2.303 178.932 176.600 0.049 0.000 0.989 467 E CA 1.130 57.599 56.400 0.114 0.000 0.800 467 E CB -0.506 29.238 29.700 0.074 0.000 0.746 467 E HN 0.452 nan 8.360 nan 0.000 0.452 468 Y N -0.257 119.988 120.300 -0.092 0.000 2.097 468 Y HA -0.259 4.308 4.550 0.028 0.000 0.282 468 Y C 1.712 177.417 175.900 -0.325 0.000 1.152 468 Y CA 2.297 60.266 58.100 -0.218 0.000 1.136 468 Y CB -0.566 37.762 38.460 -0.220 0.000 0.975 468 Y HN 0.137 nan 8.280 nan 0.000 0.498 469 W N 0.638 122.152 121.300 0.356 0.000 2.418 469 W HA -0.078 4.599 4.660 0.028 0.000 0.292 469 W C 2.363 178.931 176.519 0.081 0.000 1.213 469 W CA 1.204 58.701 57.345 0.255 0.000 1.283 469 W CB -0.129 29.498 29.460 0.279 0.000 1.119 469 W HN -0.096 nan 8.180 nan 0.000 0.542 470 K N 0.114 120.635 120.400 0.201 0.000 2.147 470 K HA -0.147 4.190 4.320 0.028 0.000 0.205 470 K C 1.603 178.141 176.600 -0.104 0.000 1.049 470 K CA 1.251 57.576 56.287 0.063 0.000 0.936 470 K CB -0.330 32.197 32.500 0.046 0.000 0.722 470 K HN 0.087 nan 8.250 nan 0.000 0.446 471 N N 0.598 119.101 118.700 -0.328 0.000 2.188 471 N HA -0.116 4.641 4.740 0.028 0.000 0.184 471 N C 1.805 176.992 175.510 -0.539 0.000 1.018 471 N CA 0.829 53.458 53.050 -0.703 0.000 0.858 471 N CB -0.282 37.215 38.487 -1.651 0.000 0.989 471 N HN -0.054 nan 8.380 nan 0.000 0.426 472 V N 0.107 119.848 119.914 -0.288 0.000 2.261 472 V HA -0.158 3.979 4.120 0.028 0.000 0.246 472 V C 0.468 176.584 176.094 0.037 0.000 1.047 472 V CA 1.555 63.867 62.300 0.020 0.000 1.015 472 V CB -0.359 31.596 31.823 0.221 0.000 0.642 472 V HN 0.327 nan 8.190 nan 0.000 0.446 473 D N -3.259 117.187 120.400 0.076 0.000 2.931 473 D HA 0.528 5.185 4.640 0.028 0.000 0.215 473 D C 0.388 176.725 176.300 0.062 0.000 1.297 473 D CA 0.305 54.337 54.000 0.053 0.000 0.892 473 D CB 1.505 42.342 40.800 0.062 0.000 1.642 473 D HN 0.097 nan 8.370 nan 0.000 0.560 474 A N 2.354 125.187 122.820 0.021 0.000 1.908 474 A HA -0.123 4.214 4.320 0.028 0.000 0.218 474 A C 1.866 179.472 177.584 0.036 0.000 1.181 474 A CA 2.195 54.245 52.037 0.020 0.000 0.627 474 A CB -0.736 18.263 19.000 -0.002 0.000 0.818 474 A HN 0.637 nan 8.150 nan 0.000 0.445 475 T N -0.204 114.370 114.554 0.032 0.000 2.737 475 T HA -0.104 4.263 4.350 0.028 0.000 0.265 475 T C 1.835 176.568 174.700 0.055 0.000 1.038 475 T CA 1.486 63.605 62.100 0.031 0.000 1.144 475 T CB -0.325 68.556 68.868 0.021 0.000 0.866 475 T HN 0.305 nan 8.240 nan 0.000 0.434 476 I N 1.542 122.165 120.570 0.089 0.000 2.286 476 I HA -0.024 4.162 4.170 0.028 0.000 0.248 476 I C 2.501 178.708 176.117 0.150 0.000 1.115 476 I CA 1.069 62.450 61.300 0.135 0.000 1.392 476 I CB -0.742 37.378 38.000 0.199 0.000 1.065 476 I HN 0.289 nan 8.210 nan 0.000 0.418 477 G N -0.965 107.947 108.800 0.187 0.000 2.418 477 G HA2 -0.327 3.650 3.960 0.028 0.000 0.217 477 G HA3 -0.327 3.650 3.960 0.028 0.000 0.217 477 G C 1.583 176.536 174.900 0.089 0.000 1.158 477 G CA 0.890 46.125 45.100 0.224 0.000 0.771 477 G HN 0.385 nan 8.290 nan 0.000 0.545 478 Q N 0.393 120.212 119.800 0.033 0.000 2.119 478 Q HA 0.047 4.404 4.340 0.028 0.000 0.201 478 Q C 2.641 178.606 176.000 -0.058 0.000 0.972 478 Q CA 1.189 56.970 55.803 -0.037 0.000 0.847 478 Q CB -0.220 28.501 28.738 -0.028 0.000 0.903 478 Q HN 0.491 nan 8.270 nan 0.000 0.433 479 R N -0.453 120.035 120.500 -0.019 0.000 2.081 479 R HA -0.081 4.276 4.340 0.028 0.000 0.235 479 R C 2.315 178.580 176.300 -0.058 0.000 1.131 479 R CA 1.609 57.692 56.100 -0.029 0.000 0.960 479 R CB -0.439 29.864 30.300 0.005 0.000 0.856 479 R HN 0.321 nan 8.270 nan 0.000 0.436 480 I N 0.612 121.152 120.570 -0.052 0.000 2.142 480 I HA -0.291 3.896 4.170 0.028 0.000 0.240 480 I C 2.639 178.682 176.117 -0.123 0.000 1.078 480 I CA 1.448 62.696 61.300 -0.087 0.000 1.343 480 I CB -0.317 37.618 38.000 -0.107 0.000 1.046 480 I HN 0.272 nan 8.210 nan 0.000 0.405 481 E N 1.037 121.094 120.200 -0.239 0.000 2.058 481 E HA -0.284 4.083 4.350 0.028 0.000 0.194 481 E C 1.703 178.050 176.600 -0.421 0.000 0.997 481 E CA 1.818 57.809 56.400 -0.682 0.000 0.801 481 E CB 0.047 29.214 29.700 -0.889 0.000 0.746 481 E HN 0.398 nan 8.360 nan 0.000 0.450 482 D N 0.304 120.559 120.400 -0.242 0.000 2.104 482 D HA -0.206 4.451 4.640 0.028 0.000 0.194 482 D C 1.817 178.053 176.300 -0.106 0.000 0.994 482 D CA 1.304 55.214 54.000 -0.151 0.000 0.830 482 D CB -0.296 40.445 40.800 -0.098 0.000 0.959 482 D HN 0.367 nan 8.370 nan 0.000 0.452 483 E N 0.265 120.409 120.200 -0.092 0.000 2.072 483 E HA -0.116 4.251 4.350 0.028 0.000 0.191 483 E C 2.095 178.669 176.600 -0.043 0.000 0.985 483 E CA 0.561 56.924 56.400 -0.062 0.000 0.801 483 E CB 0.192 29.853 29.700 -0.065 0.000 0.750 483 E HN -0.014 nan 8.360 nan 0.000 0.452 484 V N 1.419 121.312 119.914 -0.036 0.000 2.343 484 V HA -0.258 3.879 4.120 0.028 0.000 0.247 484 V C 2.160 178.293 176.094 0.066 0.000 1.051 484 V CA 1.980 64.305 62.300 0.043 0.000 1.036 484 V CB -0.389 31.552 31.823 0.196 0.000 0.654 484 V HN 0.233 nan 8.190 nan 0.000 0.451 485 K N -0.322 120.080 120.400 0.005 0.000 2.283 485 K HA -0.064 4.273 4.320 0.028 0.000 0.202 485 K C 2.107 178.728 176.600 0.035 0.000 1.048 485 K CA 0.823 57.122 56.287 0.020 0.000 0.948 485 K CB -0.137 32.334 32.500 -0.047 0.000 0.742 485 K HN 0.405 nan 8.250 nan 0.000 0.458 486 R N -0.316 120.200 120.500 0.027 0.000 2.310 486 R HA 0.013 4.369 4.340 0.028 0.000 0.202 486 R C -0.139 176.230 176.300 0.115 0.000 0.933 486 R CA 0.112 56.239 56.100 0.045 0.000 1.054 486 R CB -0.169 30.138 30.300 0.011 0.000 0.985 486 R HN 0.325 nan 8.270 nan 0.000 0.489 487 H N 0.541 119.609 119.070 -0.004 0.000 2.770 487 H HA -0.157 4.416 4.556 0.028 0.000 0.309 487 H C -1.072 174.252 175.328 -0.007 0.000 1.206 487 H CA 0.669 56.717 56.048 -0.001 0.000 1.147 487 H CB -0.932 28.830 29.762 0.001 0.000 1.422 487 H HN 0.409 nan 8.280 nan 0.000 0.420 488 E N -0.718 119.429 120.200 -0.088 0.000 2.299 488 E HA 0.733 5.100 4.350 0.028 0.000 0.265 488 E C 0.420 176.947 176.600 -0.121 0.000 0.911 488 E CA -0.328 56.011 56.400 -0.102 0.000 0.789 488 E CB 2.577 32.250 29.700 -0.045 0.000 1.246 488 E HN 0.489 nan 8.360 nan 0.000 0.427 489 G N 1.321 110.057 108.800 -0.107 0.000 2.333 489 G HA2 0.019 3.996 3.960 0.028 0.000 0.330 489 G HA3 0.019 3.996 3.960 0.028 0.000 0.330 489 G C -1.641 173.210 174.900 -0.082 0.000 1.465 489 G CA -1.074 43.970 45.100 -0.094 0.000 0.996 489 G HN 0.394 nan 8.290 nan 0.000 0.655 490 D N -0.048 120.313 120.400 -0.065 0.000 2.372 490 D HA 0.482 5.139 4.640 0.028 0.000 0.243 490 D C 1.200 177.474 176.300 -0.043 0.000 1.121 490 D CA 1.078 55.050 54.000 -0.047 0.000 0.898 490 D CB 1.078 41.857 40.800 -0.036 0.000 1.202 490 D HN 0.762 nan 8.370 nan 0.000 0.428 491 G N 1.173 109.952 108.800 -0.036 0.000 2.380 491 G HA2 0.303 4.280 3.960 0.028 0.000 0.242 491 G HA3 0.303 4.280 3.960 0.028 0.000 0.242 491 G C -0.102 174.785 174.900 -0.020 0.000 1.298 491 G CA -0.417 44.665 45.100 -0.030 0.000 0.878 491 G HN 0.330 nan 8.290 nan 0.000 0.542 492 I N 4.515 125.071 120.570 -0.023 0.000 2.312 492 I HA 0.250 4.437 4.170 0.028 0.000 0.290 492 I C -1.927 174.155 176.117 -0.059 0.000 1.008 492 I CA -3.309 57.983 61.300 -0.014 0.000 1.226 492 I CB 1.266 39.275 38.000 0.016 0.000 1.371 492 I HN 0.293 nan 8.210 nan 0.000 0.468 493 P HA 0.167 nan 4.420 nan 0.000 0.267 493 P C 0.822 177.930 177.300 -0.321 0.000 1.209 493 P CA 0.566 63.631 63.100 -0.058 0.000 0.763 493 P CB 0.951 32.718 31.700 0.111 0.000 0.816 494 G N 1.353 109.680 108.800 -0.788 0.000 2.213 494 G HA2 -0.148 3.828 3.960 0.028 0.000 0.226 494 G HA3 -0.148 3.828 3.960 0.028 0.000 0.226 494 G C -0.297 173.996 174.900 -1.011 0.000 0.992 494 G CA 0.041 44.077 45.100 -1.773 0.000 0.632 494 G HN 0.768 nan 8.290 nan 0.000 0.511 495 V N 0.840 120.459 119.914 -0.491 0.000 3.077 495 V HA 0.739 4.876 4.120 0.028 0.000 0.299 495 V C -0.870 175.130 176.094 -0.157 0.000 1.276 495 V CA 0.402 62.520 62.300 -0.304 0.000 0.993 495 V CB 1.976 33.656 31.823 -0.240 0.000 1.076 495 V HN 1.008 nan 8.190 nan 0.000 0.434 496 E N 4.654 124.791 120.200 -0.106 0.000 2.446 496 E HA 0.930 5.297 4.350 0.028 0.000 0.269 496 E C -0.982 175.609 176.600 -0.015 0.000 0.977 496 E CA -0.742 55.633 56.400 -0.042 0.000 0.854 496 E CB 2.257 31.931 29.700 -0.043 0.000 1.545 496 E HN 1.219 nan 8.360 nan 0.000 0.448 497 A N -0.419 122.407 122.820 0.010 0.000 2.532 497 A HA 0.886 5.222 4.320 0.028 0.000 0.290 497 A C 0.192 177.788 177.584 0.020 0.000 1.143 497 A CA -0.224 51.826 52.037 0.022 0.000 0.728 497 A CB 1.137 20.168 19.000 0.052 0.000 1.317 497 A HN 1.541 nan 8.150 nan 0.000 0.414 498 G N -1.269 107.543 108.800 0.020 0.000 2.756 498 G HA2 0.589 4.566 3.960 0.028 0.000 0.678 498 G HA3 0.589 4.566 3.960 0.028 0.000 0.678 498 G C 1.097 176.005 174.900 0.012 0.000 1.349 498 G CA 0.519 45.632 45.100 0.022 0.000 0.847 498 G HN 3.138 nan 8.290 nan 0.000 0.548 499 G N -1.212 107.596 108.800 0.012 0.000 2.795 499 G HA2 0.235 4.212 3.960 0.028 0.000 0.664 499 G HA3 0.235 4.212 3.960 0.028 0.000 0.664 499 G C 0.325 175.226 174.900 0.003 0.000 1.381 499 G CA 0.820 45.924 45.100 0.007 0.000 0.853 499 G HN 1.687 nan 8.290 nan 0.000 0.545 500 E N -0.012 120.189 120.200 0.001 0.000 2.478 500 E HA 0.316 4.683 4.350 0.028 0.000 0.198 500 E C 2.283 178.882 176.600 -0.002 0.000 1.046 500 E CA 1.418 57.818 56.400 -0.000 0.000 0.870 500 E CB 0.059 29.759 29.700 -0.000 0.000 0.818 500 E HN 1.069 nan 8.360 nan 0.000 0.527 501 A N 0.260 123.078 122.820 -0.003 0.000 2.430 501 A HA 0.275 4.612 4.320 0.028 0.000 0.243 501 A C 0.548 178.125 177.584 -0.011 0.000 1.254 501 A CA -0.168 51.865 52.037 -0.007 0.000 0.914 501 A CB 0.287 19.283 19.000 -0.006 0.000 0.998 501 A HN -0.036 nan 8.150 nan 0.000 0.515 502 R N -1.211 119.284 120.500 -0.008 0.000 2.905 502 R HA 0.623 4.980 4.340 0.028 0.000 0.260 502 R C -0.571 175.725 176.300 -0.006 0.000 1.086 502 R CA -0.914 55.179 56.100 -0.011 0.000 0.978 502 R CB 1.066 31.359 30.300 -0.011 0.000 1.215 502 R HN 0.231 nan 8.270 nan 0.000 0.480 503 I N 0.000 120.566 120.570 -0.007 0.000 2.984 503 I HA 0.000 4.187 4.170 0.028 0.000 0.288 503 I CA 0.000 61.299 61.300 -0.002 0.000 1.566 503 I CB 0.000 37.999 38.000 -0.001 0.000 1.214 503 I HN 0.000 nan 8.210 nan 0.000 0.494