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 2d1g_1_A DATA FIRST_RESID 5 DATA SEQUENCE NSKPNDYGTL XXXXQKLFNN ANTLKTTTPI KHVVIIFQEN NSFDRYFGMY DATA SEQUENCE PNAKNPEGEP KFVAKENTPN VNGLTKQLLE NNPNTKNPYR LDRNFQPcSQ DATA SEQUENCE NHEYHQEISS FNGGLMNKFV EHGGHDNDTY KQNcDGQVMG YYDGNTVTAL DATA SEQUENCE WNYAQNFALN DNTFGTTFGP STPGALNLVA GANGPAMSPS GNLENIENNY DATA SEQUENCE IIDDPNPYYD DcSYGTSKSG DTNTAVAKIT DGYNIGHYLT QKGITWGWFQ DATA SEQUENCE GGFKPTSYSG KTAIcDAMST NKFGVKSRDY IPHHEPFNYW KETSNPHHLA DATA SEQUENCE PSDDKYIGSN DQANHQYDIS EFWKALDQNN MPAVSYLKAP GYQDGHGGYS DATA SEQUENCE NPLDEQEWLV NTINRIQQSK DWDSTAIIII YDDSDGDYDH VYSPKSQFSD DATA SEQUENCE IKGRQGYGPR LPMLVISPYA KANYVDHSLL NQASVLKFIE YNWGIGSVSK DATA SEQUENCE YSNDKYSNNI LNMFDFNKEQ KTLKLILDPK TGLVM 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.594 175.510 0.140 0.000 1.280 5 N CA 0.000 53.124 53.050 0.124 0.000 0.885 5 N CB 0.000 38.547 38.487 0.100 0.000 1.341 6 S N -0.212 115.520 115.700 0.053 0.000 2.419 6 S HA -0.003 4.467 4.470 0.000 0.000 0.233 6 S C 0.749 175.365 174.600 0.026 0.000 1.016 6 S CA 0.872 59.091 58.200 0.032 0.000 0.974 6 S CB 0.156 63.356 63.200 -0.000 0.000 0.786 6 S HN 0.070 nan 8.310 nan 0.000 0.492 7 K N 1.463 121.846 120.400 -0.029 0.000 2.385 7 K HA 0.563 4.883 4.320 0.000 0.000 0.248 7 K C -3.311 173.011 176.600 -0.463 0.000 0.955 7 K CA -2.754 53.443 56.287 -0.150 0.000 0.816 7 K CB 0.777 33.184 32.500 -0.155 0.000 1.250 7 K HN -0.040 nan 8.250 nan 0.000 0.434 8 P HA 0.029 nan 4.420 nan 0.000 0.265 8 P C -0.180 176.448 177.300 -1.120 0.000 1.193 8 P CA 0.072 62.284 63.100 -1.479 0.000 0.765 8 P CB 0.393 31.669 31.700 -0.706 0.000 0.823 9 N N 1.699 119.619 118.700 -1.299 0.000 2.340 9 N HA -0.026 4.714 4.740 0.000 0.000 0.236 9 N C -0.063 174.971 175.510 -0.794 0.000 1.296 9 N CA 0.291 52.876 53.050 -0.776 0.000 0.896 9 N CB 0.112 38.126 38.487 -0.789 0.000 1.127 9 N HN 0.485 nan 8.380 nan 0.000 0.442 10 D N -0.305 119.839 120.400 -0.425 0.000 2.390 10 D HA 0.007 4.647 4.640 0.000 0.000 0.249 10 D C 0.087 176.310 176.300 -0.128 0.000 1.144 10 D CA 0.179 53.991 54.000 -0.315 0.000 0.880 10 D CB 0.316 41.052 40.800 -0.107 0.000 1.182 10 D HN 0.432 nan 8.370 nan 0.000 0.451 11 Y N 2.867 123.273 120.300 0.177 0.000 2.461 11 Y HA 0.244 4.794 4.550 0.000 0.000 0.277 11 Y C 1.783 177.860 175.900 0.295 0.000 1.182 11 Y CA -0.237 58.065 58.100 0.336 0.000 1.276 11 Y CB 0.250 38.907 38.460 0.329 0.000 1.087 11 Y HN 0.721 nan 8.280 nan 0.000 0.519 12 G N 0.586 109.555 108.800 0.282 0.000 2.525 12 G HA2 -0.329 3.631 3.960 0.000 0.000 0.248 12 G HA3 -0.329 3.631 3.960 0.000 0.000 0.248 12 G C 0.318 175.318 174.900 0.167 0.000 1.238 12 G CA -0.397 44.820 45.100 0.194 0.000 0.926 12 G HN 0.494 nan 8.290 nan 0.000 0.574 13 T N -0.062 114.569 114.554 0.128 0.000 2.792 13 T HA 0.646 4.996 4.350 0.000 0.000 0.286 13 T C 1.200 175.964 174.700 0.108 0.000 0.970 13 T CA 1.416 63.575 62.100 0.098 0.000 1.187 13 T CB -0.549 68.362 68.868 0.072 0.000 0.915 13 T HN 2.335 nan 8.240 nan 0.000 0.529 20 K N 4.164 124.668 120.400 0.175 0.000 2.588 20 K HA 0.358 4.678 4.320 0.000 0.000 0.250 20 K C -1.874 174.781 176.600 0.092 0.000 0.972 20 K CA -0.747 55.650 56.287 0.185 0.000 0.821 20 K CB 1.359 33.979 32.500 0.200 0.000 1.249 20 K HN 0.564 nan 8.250 nan 0.000 0.442 21 L N 5.434 126.676 121.223 0.031 0.000 2.313 21 L HA 0.405 4.745 4.340 0.000 0.000 0.282 21 L C -0.992 175.922 176.870 0.074 0.000 1.092 21 L CA 0.063 54.756 54.840 -0.245 0.000 0.831 21 L CB 0.024 41.858 42.059 -0.376 0.000 1.159 21 L HN 0.425 nan 8.230 nan 0.000 0.442 22 F N 3.068 122.962 119.950 -0.093 0.000 2.380 22 F HA 0.317 4.844 4.527 0.000 0.000 0.325 22 F C 1.049 176.820 175.800 -0.048 0.000 1.136 22 F CA -1.034 56.946 58.000 -0.032 0.000 1.171 22 F CB 0.118 39.129 39.000 0.019 0.000 1.230 22 F HN 0.538 nan 8.300 nan 0.000 0.554 23 N N 0.936 119.736 118.700 0.166 0.000 2.444 23 N HA -0.020 4.720 4.740 0.000 0.000 0.255 23 N C -0.043 175.520 175.510 0.087 0.000 1.255 23 N CA -0.593 52.503 53.050 0.077 0.000 0.933 23 N CB 0.328 38.836 38.487 0.036 0.000 1.143 23 N HN 0.459 nan 8.380 nan 0.000 0.453 24 N N 0.976 119.711 118.700 0.058 0.000 2.412 24 N HA -0.075 4.665 4.740 0.000 0.000 0.254 24 N C 0.649 176.207 175.510 0.080 0.000 1.232 24 N CA -0.029 53.064 53.050 0.071 0.000 0.880 24 N CB 0.912 39.432 38.487 0.055 0.000 1.076 24 N HN 0.663 nan 8.380 nan 0.000 0.458 25 A N 4.504 127.388 122.820 0.107 0.000 1.986 25 A HA -0.229 4.091 4.320 0.000 0.000 0.220 25 A C 1.743 179.332 177.584 0.009 0.000 1.171 25 A CA 1.800 53.879 52.037 0.070 0.000 0.640 25 A CB -0.586 18.443 19.000 0.048 0.000 0.811 25 A HN 0.910 nan 8.150 nan 0.000 0.451 26 N N -0.771 117.957 118.700 0.046 0.000 2.453 26 N HA -0.087 4.653 4.740 0.000 0.000 0.183 26 N C 1.510 177.024 175.510 0.006 0.000 1.041 26 N CA 1.405 54.473 53.050 0.030 0.000 0.900 26 N CB -0.114 38.431 38.487 0.096 0.000 0.961 26 N HN 0.726 nan 8.380 nan 0.000 0.443 27 T N -1.937 112.624 114.554 0.013 0.000 3.065 27 T HA 0.147 4.497 4.350 0.000 0.000 0.252 27 T C 0.520 175.210 174.700 -0.017 0.000 1.099 27 T CA -0.188 61.910 62.100 -0.003 0.000 1.063 27 T CB 0.011 68.882 68.868 0.005 0.000 0.948 27 T HN -0.136 nan 8.240 nan 0.000 0.506 28 L N 2.481 123.703 121.223 -0.002 0.000 2.456 28 L HA 0.293 4.633 4.340 0.000 0.000 0.272 28 L C 0.539 177.369 176.870 -0.067 0.000 1.189 28 L CA -0.084 54.758 54.840 0.003 0.000 0.846 28 L CB 0.291 42.419 42.059 0.114 0.000 1.111 28 L HN 0.276 nan 8.230 nan 0.000 0.475 29 K N 2.289 122.636 120.400 -0.087 0.000 2.379 29 K HA 0.309 4.630 4.320 0.000 0.000 0.284 29 K C -0.493 175.952 176.600 -0.258 0.000 1.044 29 K CA -0.114 56.078 56.287 -0.158 0.000 0.974 29 K CB 0.321 32.740 32.500 -0.135 0.000 0.962 29 K HN 0.840 nan 8.250 nan 0.000 0.474 30 T N 0.154 114.483 114.554 -0.375 0.000 2.901 30 T HA 0.218 4.568 4.350 0.000 0.000 0.293 30 T C 0.817 175.180 174.700 -0.562 0.000 1.084 30 T CA -0.872 60.864 62.100 -0.606 0.000 1.008 30 T CB 1.637 70.019 68.868 -0.811 0.000 1.170 30 T HN 0.448 nan 8.240 nan 0.000 0.509 31 T N 1.324 115.473 114.554 -0.675 0.000 2.942 31 T HA 0.150 4.501 4.350 0.000 0.000 0.265 31 T C 1.207 175.552 174.700 -0.591 0.000 1.062 31 T CA 1.323 63.041 62.100 -0.637 0.000 1.139 31 T CB -0.276 68.030 68.868 -0.938 0.000 0.883 31 T HN 1.021 nan 8.240 nan 0.000 0.468 32 T N -1.115 113.018 114.554 -0.702 0.000 2.910 32 T HA 0.430 4.780 4.350 0.000 0.000 0.287 32 T C -2.494 171.689 174.700 -0.862 0.000 1.050 32 T CA -2.011 59.526 62.100 -0.938 0.000 1.011 32 T CB 1.730 69.897 68.868 -1.169 0.000 1.195 32 T HN -0.280 nan 8.240 nan 0.000 0.540 33 P HA 0.131 nan 4.420 nan 0.000 0.228 33 P C 0.153 177.163 177.300 -0.482 0.000 1.151 33 P CA 0.347 63.028 63.100 -0.699 0.000 0.770 33 P CB -0.117 31.013 31.700 -0.950 0.000 0.786 34 I N 0.749 121.007 120.570 -0.520 0.000 2.505 34 I HA 0.003 4.174 4.170 0.000 0.000 0.287 34 I C 1.385 177.333 176.117 -0.283 0.000 1.104 34 I CA 0.399 61.557 61.300 -0.236 0.000 1.387 34 I CB 0.531 38.487 38.000 -0.073 0.000 1.404 34 I HN -0.057 nan 8.210 nan 0.000 0.528 35 K N 5.052 125.383 120.400 -0.116 0.000 2.354 35 K HA 0.155 4.475 4.320 0.000 0.000 0.194 35 K C -0.228 176.252 176.600 -0.200 0.000 1.038 35 K CA 0.271 56.438 56.287 -0.200 0.000 1.052 35 K CB 0.260 32.585 32.500 -0.292 0.000 0.861 35 K HN 0.594 nan 8.250 nan 0.000 0.535 36 H N -1.102 118.168 119.070 0.334 0.000 2.934 36 H HA 0.317 4.873 4.556 0.000 0.000 0.340 36 H C -1.363 174.189 175.328 0.374 0.000 1.008 36 H CA -0.610 55.651 56.048 0.356 0.000 1.317 36 H CB 2.297 32.196 29.762 0.227 0.000 1.670 36 H HN -0.245 nan 8.280 nan 0.000 0.516 37 V N 4.560 124.782 119.914 0.514 0.000 2.459 37 V HA 0.562 4.683 4.120 0.000 0.000 0.295 37 V C -0.926 175.281 176.094 0.187 0.000 1.029 37 V CA -0.584 61.949 62.300 0.389 0.000 0.874 37 V CB 1.453 33.601 31.823 0.541 0.000 0.985 37 V HN 0.596 nan 8.190 nan 0.000 0.438 38 V N 8.127 128.107 119.914 0.111 0.000 2.407 38 V HA 0.507 4.627 4.120 0.000 0.000 0.291 38 V C -0.302 175.750 176.094 -0.070 0.000 1.018 38 V CA -0.390 61.894 62.300 -0.027 0.000 0.842 38 V CB 1.539 33.337 31.823 -0.042 0.000 0.996 38 V HN 0.740 nan 8.190 nan 0.000 0.426 39 I N 6.111 126.597 120.570 -0.140 0.000 2.330 39 I HA 0.411 4.582 4.170 0.000 0.000 0.286 39 I C -0.121 175.998 176.117 0.004 0.000 1.025 39 I CA -0.018 61.242 61.300 -0.066 0.000 1.197 39 I CB 1.131 39.057 38.000 -0.123 0.000 1.358 39 I HN 0.438 nan 8.210 nan 0.000 0.467 40 I N 6.374 126.963 120.570 0.032 0.000 2.291 40 I HA 0.133 4.303 4.170 0.000 0.000 0.292 40 I C -0.480 175.744 176.117 0.177 0.000 1.064 40 I CA -0.270 61.083 61.300 0.089 0.000 1.269 40 I CB 0.321 38.339 38.000 0.030 0.000 1.418 40 I HN 0.434 nan 8.210 nan 0.000 0.485 41 F N 7.158 127.103 119.950 -0.007 0.000 2.351 41 F HA 0.318 4.846 4.527 0.001 0.000 0.362 41 F C 0.516 176.240 175.800 -0.128 0.000 1.131 41 F CA -0.547 57.433 58.000 -0.033 0.000 1.187 41 F CB 0.065 39.113 39.000 0.080 0.000 1.434 41 F HN 0.432 nan 8.300 nan 0.000 0.553 42 Q N 2.777 122.280 119.800 -0.496 0.000 2.237 42 Q HA 0.313 4.653 4.340 0.000 0.000 0.219 42 Q C -0.276 175.307 176.000 -0.695 0.000 0.999 42 Q CA -0.397 55.012 55.803 -0.656 0.000 0.959 42 Q CB 0.943 29.068 28.738 -1.021 0.000 1.173 42 Q HN 0.471 nan 8.270 nan 0.000 0.527 43 E N 1.085 121.111 120.200 -0.290 0.000 2.187 43 E HA 0.234 4.584 4.350 0.000 0.000 0.268 43 E C -0.801 175.832 176.600 0.055 0.000 0.896 43 E CA -0.617 55.705 56.400 -0.130 0.000 0.766 43 E CB 0.984 30.665 29.700 -0.031 0.000 1.142 43 E HN 0.478 nan 8.360 nan 0.000 0.408 44 N N 2.198 120.866 118.700 -0.053 0.000 2.771 44 N HA -0.149 4.591 4.740 0.000 0.000 0.249 44 N C -1.373 173.976 175.510 -0.269 0.000 1.069 44 N CA 0.614 53.510 53.050 -0.256 0.000 0.688 44 N CB -0.911 37.236 38.487 -0.567 0.000 0.928 44 N HN 0.449 nan 8.380 nan 0.000 0.551 45 N N -0.640 117.856 118.700 -0.341 0.000 2.369 45 N HA 0.319 5.060 4.740 0.000 0.000 0.287 45 N C -0.543 174.685 175.510 -0.469 0.000 1.067 45 N CA -0.434 52.258 53.050 -0.597 0.000 0.888 45 N CB 1.621 39.299 38.487 -1.348 0.000 1.616 45 N HN 0.251 nan 8.380 nan 0.000 0.482 46 S N 0.677 116.221 115.700 -0.260 0.000 2.645 46 S HA 0.256 4.726 4.470 0.000 0.000 0.266 46 S C 1.254 175.800 174.600 -0.090 0.000 1.258 46 S CA -0.594 57.542 58.200 -0.105 0.000 0.990 46 S CB 0.797 63.995 63.200 -0.004 0.000 0.967 46 S HN 0.540 nan 8.310 nan 0.000 0.556 47 F N 1.192 121.072 119.950 -0.115 0.000 2.069 47 F HA -0.153 4.374 4.527 0.000 0.000 0.298 47 F C 1.893 177.736 175.800 0.071 0.000 1.113 47 F CA 2.246 60.227 58.000 -0.032 0.000 1.214 47 F CB -0.437 38.489 39.000 -0.123 0.000 0.978 47 F HN 0.602 nan 8.300 nan 0.000 0.474 48 D N -0.182 120.342 120.400 0.206 0.000 2.178 48 D HA -0.179 4.462 4.640 0.000 0.000 0.201 48 D C 2.314 178.678 176.300 0.107 0.000 0.980 48 D CA 0.972 55.071 54.000 0.165 0.000 0.842 48 D CB -0.388 40.468 40.800 0.093 0.000 0.948 48 D HN 0.322 nan 8.370 nan 0.000 0.472 49 R N -0.812 119.734 120.500 0.076 0.000 2.092 49 R HA -0.152 4.188 4.340 0.000 0.000 0.231 49 R C 1.664 178.136 176.300 0.287 0.000 1.119 49 R CA 1.103 57.284 56.100 0.135 0.000 0.970 49 R CB -0.056 30.258 30.300 0.024 0.000 0.864 49 R HN 0.156 nan 8.270 nan 0.000 0.440 50 Y N -1.689 118.569 120.300 -0.071 0.000 2.479 50 Y HA 0.140 4.690 4.550 0.000 0.000 0.283 50 Y C 0.868 176.579 175.900 -0.315 0.000 1.109 50 Y CA 0.356 58.344 58.100 -0.187 0.000 1.239 50 Y CB 0.439 38.738 38.460 -0.269 0.000 1.108 50 Y HN -0.006 nan 8.280 nan 0.000 0.548 51 F N -2.136 117.718 119.950 -0.160 0.000 2.798 51 F HA 0.315 4.843 4.527 0.001 0.000 0.328 51 F C 2.100 177.769 175.800 -0.219 0.000 1.098 51 F CA 0.142 57.916 58.000 -0.377 0.000 1.172 51 F CB -0.106 38.212 39.000 -1.136 0.000 1.072 51 F HN -0.116 nan 8.300 nan 0.000 0.555 52 G N 0.434 109.273 108.800 0.065 0.000 2.469 52 G HA2 -0.311 3.649 3.960 0.000 0.000 0.220 52 G HA3 -0.311 3.649 3.960 0.000 0.000 0.220 52 G C 1.526 176.468 174.900 0.069 0.000 1.136 52 G CA 1.086 46.280 45.100 0.156 0.000 0.759 52 G HN 0.241 nan 8.290 nan 0.000 0.562 53 M N -0.652 118.988 119.600 0.067 0.000 2.495 53 M HA 0.389 4.869 4.480 0.000 0.000 0.237 53 M C 0.432 176.810 176.300 0.131 0.000 1.131 53 M CA -1.122 54.220 55.300 0.069 0.000 1.032 53 M CB -0.239 32.386 32.600 0.041 0.000 1.513 53 M HN 0.204 nan 8.290 nan 0.000 0.488 54 Y N 2.889 123.039 120.300 -0.250 0.000 2.712 54 Y HA 0.173 4.723 4.550 0.000 0.000 0.333 54 Y C -1.781 173.906 175.900 -0.354 0.000 1.225 54 Y CA -1.091 56.484 58.100 -0.874 0.000 1.499 54 Y CB 0.541 38.510 38.460 -0.819 0.000 1.288 54 Y HN 0.169 nan 8.280 nan 0.000 0.575 55 P HA 0.184 nan 4.420 nan 0.000 0.250 55 P C -1.623 175.597 177.300 -0.133 0.000 1.808 55 P CA -0.109 62.338 63.100 -1.087 0.000 1.117 55 P CB -0.262 30.864 31.700 -0.957 0.000 1.602 56 N N 0.717 119.454 118.700 0.063 0.000 2.501 56 N HA 0.500 5.241 4.740 0.000 0.000 0.245 56 N C -0.434 175.331 175.510 0.425 0.000 0.974 56 N CA -0.448 52.756 53.050 0.257 0.000 0.941 56 N CB 1.380 39.945 38.487 0.129 0.000 1.122 56 N HN 0.065 nan 8.380 nan 0.000 0.507 57 A N 1.471 124.538 122.820 0.411 0.000 2.320 57 A HA 0.305 4.625 4.320 0.000 0.000 0.334 57 A C 1.060 178.735 177.584 0.150 0.000 1.147 57 A CA -0.680 51.487 52.037 0.218 0.000 0.820 57 A CB 1.165 20.265 19.000 0.166 0.000 1.218 57 A HN 0.718 nan 8.150 nan 0.000 0.482 58 K N 0.647 121.100 120.400 0.090 0.000 2.103 58 K HA -0.108 4.212 4.320 0.000 0.000 0.204 58 K C -0.281 176.355 176.600 0.061 0.000 1.052 58 K CA 1.187 57.519 56.287 0.075 0.000 0.945 58 K CB -0.142 32.392 32.500 0.058 0.000 0.722 58 K HN 0.767 nan 8.250 nan 0.000 0.443 59 N N 1.587 120.319 118.700 0.053 0.000 2.714 59 N HA -0.114 4.626 4.740 0.000 0.000 0.253 59 N C -2.609 172.919 175.510 0.031 0.000 1.024 59 N CA 0.905 53.982 53.050 0.045 0.000 0.726 59 N CB -1.230 37.292 38.487 0.058 0.000 0.908 59 N HN 0.390 nan 8.380 nan 0.000 0.542 60 P HA 0.243 nan 4.420 nan 0.000 0.272 60 P C 0.286 177.595 177.300 0.016 0.000 1.223 60 P CA 0.246 63.358 63.100 0.020 0.000 0.784 60 P CB 0.426 32.137 31.700 0.019 0.000 0.923 61 E N 0.385 120.593 120.200 0.014 0.000 2.502 61 E HA 0.308 4.658 4.350 0.000 0.000 0.261 61 E C 1.388 177.994 176.600 0.010 0.000 0.974 61 E CA 0.353 56.760 56.400 0.011 0.000 0.936 61 E CB -1.107 28.599 29.700 0.010 0.000 0.926 61 E HN 0.882 nan 8.360 nan 0.000 0.459 62 G N 1.773 110.577 108.800 0.007 0.000 2.253 62 G HA2 -0.251 3.709 3.960 0.000 0.000 0.251 62 G HA3 -0.251 3.709 3.960 0.000 0.000 0.251 62 G C 0.401 175.302 174.900 0.002 0.000 0.998 62 G CA 0.423 45.526 45.100 0.005 0.000 0.621 62 G HN 0.761 nan 8.290 nan 0.000 0.524 63 E N 1.509 121.710 120.200 0.003 0.000 2.319 63 E HA 0.433 4.783 4.350 0.000 0.000 0.268 63 E C -2.441 174.155 176.600 -0.007 0.000 1.050 63 E CA -1.944 54.452 56.400 -0.005 0.000 0.878 63 E CB 0.823 30.519 29.700 -0.006 0.000 1.066 63 E HN 0.098 nan 8.360 nan 0.000 0.406 64 P HA -0.057 nan 4.420 nan 0.000 0.263 64 P C -0.743 176.567 177.300 0.018 0.000 1.195 64 P CA 0.407 63.502 63.100 -0.009 0.000 0.762 64 P CB 0.325 32.008 31.700 -0.028 0.000 0.799 65 K N 3.594 124.013 120.400 0.032 0.000 2.249 65 K HA 0.300 4.620 4.320 0.000 0.000 0.280 65 K C -1.144 175.527 176.600 0.118 0.000 1.033 65 K CA -0.403 55.919 56.287 0.058 0.000 0.946 65 K CB 0.204 32.717 32.500 0.023 0.000 1.005 65 K HN 0.311 nan 8.250 nan 0.000 0.469 66 F N 5.480 125.436 119.950 0.011 0.000 2.496 66 F HA 0.258 4.786 4.527 0.001 0.000 0.341 66 F C -1.032 174.806 175.800 0.064 0.000 1.134 66 F CA -0.825 57.213 58.000 0.062 0.000 0.968 66 F CB 1.004 40.076 39.000 0.120 0.000 1.205 66 F HN 0.125 nan 8.300 nan 0.000 0.436 67 V N 5.375 125.123 119.914 -0.276 0.000 2.498 67 V HA 0.627 4.747 4.120 0.000 0.000 0.279 67 V C 0.650 176.323 176.094 -0.701 0.000 1.048 67 V CA -0.763 61.305 62.300 -0.386 0.000 0.967 67 V CB 0.799 32.512 31.823 -0.183 0.000 0.988 67 V HN 0.918 nan 8.190 nan 0.000 0.473 68 A N 4.629 127.202 122.820 -0.411 0.000 2.462 68 A HA 0.308 4.629 4.320 0.000 0.000 0.243 68 A C 0.492 177.957 177.584 -0.198 0.000 1.076 68 A CA -0.209 51.661 52.037 -0.278 0.000 0.773 68 A CB -0.062 18.882 19.000 -0.094 0.000 1.010 68 A HN 0.885 nan 8.150 nan 0.000 0.493 69 K N 1.187 121.497 120.400 -0.150 0.000 2.319 69 K HA 0.089 4.409 4.320 0.000 0.000 0.265 69 K C 0.510 177.074 176.600 -0.061 0.000 1.000 69 K CA -0.101 56.132 56.287 -0.091 0.000 0.943 69 K CB 0.501 32.968 32.500 -0.055 0.000 0.950 69 K HN 0.852 nan 8.250 nan 0.000 0.485 70 E N 1.693 121.865 120.200 -0.047 0.000 2.502 70 E HA -0.214 4.136 4.350 0.000 0.000 0.261 70 E C -0.657 175.932 176.600 -0.019 0.000 0.974 70 E CA 0.599 56.980 56.400 -0.031 0.000 0.936 70 E CB -0.023 29.662 29.700 -0.025 0.000 0.926 70 E HN 0.631 nan 8.360 nan 0.000 0.459 71 N N 1.773 120.465 118.700 -0.013 0.000 2.741 71 N HA -0.161 4.579 4.740 0.000 0.000 0.250 71 N C -1.078 174.434 175.510 0.004 0.000 1.115 71 N CA 0.489 53.538 53.050 -0.002 0.000 0.724 71 N CB -1.042 37.448 38.487 0.005 0.000 1.090 71 N HN 0.399 nan 8.380 nan 0.000 0.558 72 T N 1.920 116.471 114.554 -0.005 0.000 2.817 72 T HA 0.207 4.557 4.350 0.000 0.000 0.295 72 T C -1.831 172.877 174.700 0.014 0.000 0.958 72 T CA -0.464 61.642 62.100 0.011 0.000 1.157 72 T CB 0.681 69.527 68.868 -0.036 0.000 0.898 72 T HN 0.016 nan 8.240 nan 0.000 0.536 73 P HA 0.176 nan 4.420 nan 0.000 0.272 73 P C 0.068 177.405 177.300 0.061 0.000 1.230 73 P CA -0.570 62.538 63.100 0.014 0.000 0.788 73 P CB 0.516 32.176 31.700 -0.066 0.000 0.949 74 N N 0.112 118.848 118.700 0.060 0.000 2.530 74 N HA 0.277 5.017 4.740 0.000 0.000 0.277 74 N C -0.461 175.134 175.510 0.142 0.000 1.168 74 N CA -0.294 52.806 53.050 0.082 0.000 0.979 74 N CB 0.826 39.337 38.487 0.039 0.000 1.141 74 N HN 0.178 nan 8.380 nan 0.000 0.459 75 V N -0.363 119.653 119.914 0.170 0.000 2.850 75 V HA 0.428 4.548 4.120 0.000 0.000 0.315 75 V C 0.535 176.697 176.094 0.115 0.000 1.064 75 V CA -1.132 61.282 62.300 0.190 0.000 0.979 75 V CB 1.535 33.557 31.823 0.331 0.000 1.039 75 V HN 0.539 nan 8.190 nan 0.000 0.452 76 N N 2.342 121.058 118.700 0.027 0.000 2.744 76 N HA 0.371 5.111 4.740 0.000 0.000 0.290 76 N C 0.118 175.753 175.510 0.208 0.000 1.206 76 N CA 0.896 53.965 53.050 0.032 0.000 1.119 76 N CB -0.200 38.241 38.487 -0.078 0.000 1.449 76 N HN 1.099 nan 8.380 nan 0.000 0.514 77 G N 0.831 109.758 108.800 0.212 0.000 3.122 77 G HA2 0.472 4.432 3.960 0.000 0.000 0.180 77 G HA3 0.472 4.432 3.960 0.000 0.000 0.180 77 G C -0.678 174.219 174.900 -0.006 0.000 1.279 77 G CA -0.684 44.578 45.100 0.271 0.000 0.987 77 G HN 0.366 nan 8.290 nan 0.000 0.589 78 L N 2.240 123.452 121.223 -0.019 0.000 2.295 78 L HA 0.293 4.633 4.340 0.000 0.000 0.288 78 L C 1.027 177.837 176.870 -0.101 0.000 1.079 78 L CA -0.596 54.179 54.840 -0.107 0.000 0.830 78 L CB 0.516 42.508 42.059 -0.112 0.000 1.200 78 L HN 0.643 nan 8.230 nan 0.000 0.438 79 T N -1.381 113.100 114.554 -0.122 0.000 2.816 79 T HA 0.123 4.473 4.350 0.000 0.000 0.282 79 T C 1.144 175.816 174.700 -0.047 0.000 0.993 79 T CA -0.744 61.310 62.100 -0.076 0.000 0.994 79 T CB 1.495 70.312 68.868 -0.085 0.000 1.025 79 T HN 0.595 nan 8.240 nan 0.000 0.529 80 K N 0.375 120.759 120.400 -0.027 0.000 2.059 80 K HA -0.308 4.012 4.320 0.000 0.000 0.212 80 K C 2.219 178.814 176.600 -0.009 0.000 1.050 80 K CA 2.129 58.410 56.287 -0.011 0.000 0.927 80 K CB -0.276 32.221 32.500 -0.005 0.000 0.714 80 K HN 0.666 nan 8.250 nan 0.000 0.447 81 Q N 0.524 120.313 119.800 -0.018 0.000 2.079 81 Q HA -0.068 4.272 4.340 0.000 0.000 0.200 81 Q C 2.147 178.141 176.000 -0.010 0.000 0.974 81 Q CA 1.492 57.287 55.803 -0.012 0.000 0.840 81 Q CB -0.093 28.636 28.738 -0.016 0.000 0.898 81 Q HN 0.323 nan 8.270 nan 0.000 0.430 82 L N -0.309 120.899 121.223 -0.024 0.000 2.201 82 L HA -0.129 4.211 4.340 0.000 0.000 0.212 82 L C 1.969 178.849 176.870 0.017 0.000 1.105 82 L CA 0.722 55.560 54.840 -0.004 0.000 0.775 82 L CB -0.232 41.803 42.059 -0.040 0.000 0.913 82 L HN 0.244 nan 8.230 nan 0.000 0.440 83 L N -0.964 120.266 121.223 0.012 0.000 2.131 83 L HA -0.116 4.224 4.340 0.000 0.000 0.206 83 L C 2.130 179.026 176.870 0.044 0.000 1.087 83 L CA 1.157 56.022 54.840 0.042 0.000 0.767 83 L CB -0.139 41.942 42.059 0.037 0.000 0.917 83 L HN 0.261 nan 8.230 nan 0.000 0.441 84 E N -0.717 119.497 120.200 0.024 0.000 2.413 84 E HA 0.050 4.400 4.350 0.000 0.000 0.203 84 E C 0.074 176.680 176.600 0.010 0.000 0.957 84 E CA 0.180 56.592 56.400 0.020 0.000 0.950 84 E CB 0.422 30.132 29.700 0.016 0.000 0.957 84 E HN 0.415 nan 8.360 nan 0.000 0.497 85 N N 1.097 119.800 118.700 0.006 0.000 2.622 85 N HA 0.064 4.804 4.740 0.000 0.000 0.304 85 N C -1.006 174.504 175.510 0.000 0.000 1.844 85 N CA -0.165 52.886 53.050 0.002 0.000 0.886 85 N CB 0.573 39.061 38.487 0.003 0.000 1.366 85 N HN -0.029 nan 8.380 nan 0.000 0.491 86 N N 1.377 120.071 118.700 -0.010 0.000 2.454 86 N HA 0.049 4.789 4.740 0.000 0.000 0.254 86 N C -1.497 174.004 175.510 -0.015 0.000 1.228 86 N CA -0.928 52.107 53.050 -0.025 0.000 0.900 86 N CB 1.180 39.611 38.487 -0.092 0.000 1.089 86 N HN 0.059 nan 8.380 nan 0.000 0.449 87 P HA -0.021 nan 4.420 nan 0.000 0.222 87 P C -0.106 177.214 177.300 0.033 0.000 1.147 87 P CA 0.831 63.951 63.100 0.032 0.000 0.790 87 P CB 0.175 31.916 31.700 0.069 0.000 0.780 88 N N -0.762 117.937 118.700 -0.001 0.000 2.424 88 N HA 0.020 4.760 4.740 0.000 0.000 0.257 88 N C 1.385 176.896 175.510 0.001 0.000 1.250 88 N CA 0.697 53.756 53.050 0.015 0.000 0.946 88 N CB 0.475 38.936 38.487 -0.043 0.000 1.175 88 N HN 0.066 nan 8.380 nan 0.000 0.477 89 T N -2.322 112.244 114.554 0.020 0.000 3.072 89 T HA -0.044 4.306 4.350 0.000 0.000 0.266 89 T C 0.619 175.313 174.700 -0.011 0.000 1.127 89 T CA 0.974 63.078 62.100 0.007 0.000 1.107 89 T CB 0.292 69.169 68.868 0.015 0.000 0.910 89 T HN 0.392 nan 8.240 nan 0.000 0.513 90 K N 0.884 121.272 120.400 -0.019 0.000 2.427 90 K HA 0.363 4.683 4.320 0.000 0.000 0.252 90 K C -1.105 175.469 176.600 -0.043 0.000 0.931 90 K CA -0.829 55.438 56.287 -0.032 0.000 0.793 90 K CB 1.224 33.709 32.500 -0.026 0.000 1.211 90 K HN -0.047 nan 8.250 nan 0.000 0.426 91 N N 3.159 121.846 118.700 -0.022 0.000 2.482 91 N HA 0.221 4.961 4.740 0.000 0.000 0.260 91 N C -2.546 173.016 175.510 0.086 0.000 1.236 91 N CA -1.399 51.651 53.050 0.000 0.000 0.938 91 N CB 0.512 39.017 38.487 0.030 0.000 1.128 91 N HN 0.395 nan 8.380 nan 0.000 0.448 92 P HA -0.003 nan 4.420 nan 0.000 0.266 92 P C -0.996 176.535 177.300 0.387 0.000 1.193 92 P CA 0.669 63.925 63.100 0.261 0.000 0.770 92 P CB 0.121 32.005 31.700 0.306 0.000 0.836 93 Y N -0.438 119.877 120.300 0.026 0.000 2.581 93 Y HA 0.545 5.096 4.550 0.001 0.000 0.337 93 Y C -0.599 174.765 175.900 -0.893 0.000 1.108 93 Y CA -1.792 56.168 58.100 -0.233 0.000 1.033 93 Y CB 1.221 39.584 38.460 -0.162 0.000 1.318 93 Y HN 0.169 nan 8.280 nan 0.000 0.459 94 R N 3.539 123.497 120.500 -0.904 0.000 2.316 94 R HA 0.476 4.816 4.340 0.000 0.000 0.314 94 R C -1.177 174.739 176.300 -0.641 0.000 1.069 94 R CA -0.341 55.126 56.100 -1.056 0.000 0.959 94 R CB 0.321 30.378 30.300 -0.405 0.000 0.987 94 R HN 0.915 nan 8.270 nan 0.000 0.446 95 L N 3.174 123.969 121.223 -0.714 0.000 2.395 95 L HA 0.199 4.539 4.340 0.000 0.000 0.269 95 L C 0.628 177.462 176.870 -0.061 0.000 1.133 95 L CA -0.273 54.321 54.840 -0.411 0.000 0.812 95 L CB 0.973 42.624 42.059 -0.679 0.000 1.125 95 L HN 0.620 nan 8.230 nan 0.000 0.452 96 D N 1.227 121.714 120.400 0.145 0.000 2.253 96 D HA 0.094 4.734 4.640 0.000 0.000 0.249 96 D C 0.881 177.431 176.300 0.417 0.000 1.049 96 D CA -0.346 53.791 54.000 0.228 0.000 0.929 96 D CB 1.519 42.415 40.800 0.160 0.000 1.176 96 D HN 0.407 nan 8.370 nan 0.000 0.437 97 R N 1.369 122.024 120.500 0.259 0.000 2.139 97 R HA -0.189 4.151 4.340 0.000 0.000 0.243 97 R C 1.303 177.780 176.300 0.294 0.000 1.145 97 R CA 1.488 57.703 56.100 0.192 0.000 0.976 97 R CB 0.038 30.392 30.300 0.091 0.000 0.866 97 R HN 0.431 nan 8.270 nan 0.000 0.449 98 N N -0.291 118.619 118.700 0.350 0.000 2.322 98 N HA -0.037 4.703 4.740 0.000 0.000 0.194 98 N C -0.446 175.374 175.510 0.518 0.000 1.126 98 N CA -0.106 53.183 53.050 0.398 0.000 0.845 98 N CB 0.071 38.711 38.487 0.254 0.000 0.976 98 N HN 0.143 nan 8.380 nan 0.000 0.475 99 F N -1.164 118.836 119.950 0.084 0.000 2.588 99 F HA 0.595 5.122 4.527 0.001 0.000 0.314 99 F C -0.302 174.945 175.800 -0.921 0.000 1.069 99 F CA -1.763 56.031 58.000 -0.344 0.000 0.931 99 F CB 0.984 39.894 39.000 -0.150 0.000 1.260 99 F HN -0.204 nan 8.300 nan 0.000 0.465 100 Q N 5.452 124.295 119.800 -1.596 0.000 2.300 100 Q HA 0.342 4.682 4.340 0.000 0.000 0.262 100 Q C -2.589 172.856 176.000 -0.924 0.000 1.109 100 Q CA -2.075 52.940 55.803 -1.314 0.000 0.905 100 Q CB 0.473 28.766 28.738 -0.741 0.000 1.280 100 Q HN 0.444 nan 8.270 nan 0.000 0.426 101 P HA 0.010 nan 4.420 nan 0.000 0.271 101 P C -0.487 176.742 177.300 -0.118 0.000 1.216 101 P CA -0.246 62.545 63.100 -0.516 0.000 0.776 101 P CB 0.738 32.303 31.700 -0.224 0.000 0.881 102 c N 1.514 120.148 118.600 0.056 0.000 2.580 102 c HA 0.299 4.869 4.570 0.000 0.000 0.371 102 c C 1.394 175.607 174.090 0.206 0.000 1.308 102 c CA 0.112 56.522 56.329 0.135 0.000 2.428 102 c CB 0.406 42.996 42.510 0.133 0.000 2.529 102 c HN 0.589 nan 8.230 nan 0.000 0.657 103 S N 0.985 116.868 115.700 0.304 0.000 2.457 103 S HA 0.350 4.820 4.470 0.000 0.000 0.289 103 S C -0.285 174.639 174.600 0.541 0.000 1.163 103 S CA -0.314 58.105 58.200 0.366 0.000 1.078 103 S CB 0.399 63.888 63.200 0.482 0.000 0.987 103 S HN 0.692 nan 8.310 nan 0.000 0.482 104 Q N 2.432 122.492 119.800 0.434 0.000 2.308 104 Q HA 0.357 4.697 4.340 0.000 0.000 0.207 104 Q C 0.124 176.275 176.000 0.251 0.000 1.035 104 Q CA -0.250 55.756 55.803 0.338 0.000 1.008 104 Q CB 0.382 29.282 28.738 0.270 0.000 1.168 104 Q HN 0.699 nan 8.270 nan 0.000 0.565 105 N N 1.444 120.019 118.700 -0.208 0.000 2.406 105 N HA -0.005 4.736 4.740 0.000 0.000 0.251 105 N C -0.768 174.750 175.510 0.013 0.000 1.069 105 N CA 0.112 52.975 53.050 -0.312 0.000 0.947 105 N CB 0.313 38.462 38.487 -0.563 0.000 1.111 105 N HN 0.572 nan 8.380 nan 0.000 0.497 106 H N 1.346 120.466 119.070 0.084 0.000 2.469 106 H HA 0.314 4.870 4.556 0.001 0.000 0.286 106 H C -0.459 174.941 175.328 0.120 0.000 1.106 106 H CA -0.429 55.683 56.048 0.106 0.000 1.055 106 H CB -0.188 29.643 29.762 0.115 0.000 1.618 106 H HN 0.458 nan 8.280 nan 0.000 0.559 107 E N 0.721 120.925 120.200 0.006 0.000 2.413 107 E HA -0.076 4.274 4.350 0.000 0.000 0.263 107 E C 0.463 177.129 176.600 0.110 0.000 1.015 107 E CA -0.221 56.215 56.400 0.061 0.000 0.916 107 E CB 1.036 30.763 29.700 0.046 0.000 0.947 107 E HN 0.305 nan 8.360 nan 0.000 0.440 108 Y N 3.838 124.118 120.300 -0.032 0.000 2.040 108 Y HA -0.369 4.181 4.550 0.000 0.000 0.275 108 Y C 2.036 177.781 175.900 -0.258 0.000 1.171 108 Y CA 2.153 60.177 58.100 -0.127 0.000 1.123 108 Y CB 0.019 38.341 38.460 -0.231 0.000 0.963 108 Y HN 0.676 nan 8.280 nan 0.000 0.493 109 H N -0.573 118.539 119.070 0.070 0.000 2.389 109 H HA -0.113 4.443 4.556 0.000 0.000 0.299 109 H C 2.200 177.400 175.328 -0.214 0.000 1.081 109 H CA 1.562 57.537 56.048 -0.121 0.000 1.345 109 H CB -0.066 29.694 29.762 -0.005 0.000 1.393 109 H HN 0.483 nan 8.280 nan 0.000 0.520 110 Q N 0.891 120.682 119.800 -0.015 0.000 2.119 110 Q HA -0.099 4.241 4.340 0.000 0.000 0.201 110 Q C 2.093 177.999 176.000 -0.156 0.000 0.972 110 Q CA 0.765 56.532 55.803 -0.061 0.000 0.847 110 Q CB -0.052 28.696 28.738 0.016 0.000 0.903 110 Q HN 0.638 nan 8.270 nan 0.000 0.433 111 E N 0.318 120.428 120.200 -0.151 0.000 2.077 111 E HA -0.135 4.215 4.350 0.000 0.000 0.193 111 E C 2.113 178.443 176.600 -0.450 0.000 0.989 111 E CA 0.711 57.002 56.400 -0.181 0.000 0.800 111 E CB -0.112 29.591 29.700 0.005 0.000 0.746 111 E HN 0.327 nan 8.360 nan 0.000 0.452 112 I N 0.871 121.010 120.570 -0.719 0.000 2.226 112 I HA -0.259 3.911 4.170 0.000 0.000 0.245 112 I C 2.407 178.252 176.117 -0.452 0.000 1.100 112 I CA 0.792 61.547 61.300 -0.907 0.000 1.374 112 I CB -0.165 37.233 38.000 -1.004 0.000 1.057 112 I HN -0.020 nan 8.210 nan 0.000 0.413 113 S N 0.179 115.614 115.700 -0.441 0.000 2.382 113 S HA -0.160 4.310 4.470 0.000 0.000 0.228 113 S C 2.222 176.581 174.600 -0.402 0.000 1.027 113 S CA 1.540 59.414 58.200 -0.543 0.000 0.991 113 S CB -0.181 62.378 63.200 -1.068 0.000 0.823 113 S HN 0.382 nan 8.310 nan 0.000 0.469 114 S N 1.148 116.654 115.700 -0.323 0.000 2.370 114 S HA -0.045 4.425 4.470 0.000 0.000 0.226 114 S C 1.480 175.956 174.600 -0.208 0.000 1.033 114 S CA 1.071 59.043 58.200 -0.380 0.000 1.011 114 S CB -0.424 62.222 63.200 -0.924 0.000 0.852 114 S HN 0.436 nan 8.310 nan 0.000 0.457 115 F N 1.788 121.568 119.950 -0.284 0.000 2.216 115 F HA 0.023 4.550 4.527 0.000 0.000 0.300 115 F C 1.385 177.171 175.800 -0.023 0.000 1.085 115 F CA 0.495 58.507 58.000 0.019 0.000 1.326 115 F CB -1.261 37.875 39.000 0.226 0.000 1.027 115 F HN 0.160 nan 8.300 nan 0.000 0.497 116 N N 0.395 119.152 118.700 0.095 0.000 2.705 116 N HA -0.194 4.547 4.740 0.000 0.000 0.255 116 N C 0.845 176.344 175.510 -0.020 0.000 1.008 116 N CA 0.989 54.044 53.050 0.008 0.000 0.742 116 N CB -1.171 37.328 38.487 0.020 0.000 0.906 116 N HN 0.623 nan 8.380 nan 0.000 0.541 117 G N -1.253 107.555 108.800 0.014 0.000 2.179 117 G HA2 0.005 3.965 3.960 0.000 0.000 0.257 117 G HA3 0.005 3.965 3.960 0.000 0.000 0.257 117 G C 1.480 176.206 174.900 -0.290 0.000 1.010 117 G CA 1.032 46.122 45.100 -0.017 0.000 0.736 117 G HN 1.879 nan 8.290 nan 0.000 0.513 118 G N -1.549 106.828 108.800 -0.704 0.000 2.218 118 G HA2 -0.226 3.734 3.960 0.000 0.000 0.216 118 G HA3 -0.226 3.734 3.960 0.000 0.000 0.216 118 G C 1.210 175.773 174.900 -0.563 0.000 0.994 118 G CA 0.626 44.859 45.100 -1.445 0.000 0.637 118 G HN 1.114 nan 8.290 nan 0.000 0.505 119 L N 0.776 121.844 121.223 -0.259 0.000 2.201 119 L HA 0.112 4.452 4.340 0.000 0.000 0.212 119 L C 1.851 178.726 176.870 0.008 0.000 1.105 119 L CA 1.130 55.916 54.840 -0.090 0.000 0.775 119 L CB -0.341 41.700 42.059 -0.030 0.000 0.913 119 L HN 0.338 nan 8.230 nan 0.000 0.440 120 M N 1.017 120.644 119.600 0.044 0.000 2.393 120 M HA -0.213 4.267 4.480 0.000 0.000 0.201 120 M C 0.282 176.861 176.300 0.464 0.000 0.403 120 M CA 0.791 56.261 55.300 0.283 0.000 0.471 120 M CB -2.246 30.472 32.600 0.197 0.000 1.669 120 M HN 0.669 nan 8.290 nan 0.000 0.864 121 N N -0.944 117.944 118.700 0.314 0.000 2.160 121 N HA 0.090 4.830 4.740 0.000 0.000 0.226 121 N C 0.313 175.968 175.510 0.242 0.000 1.256 121 N CA -0.313 52.891 53.050 0.257 0.000 0.890 121 N CB 0.580 39.146 38.487 0.131 0.000 1.116 121 N HN 0.225 nan 8.380 nan 0.000 0.517 122 K N 0.353 120.907 120.400 0.257 0.000 2.646 122 K HA 0.267 4.588 4.320 0.000 0.000 0.206 122 K C 0.080 176.806 176.600 0.210 0.000 1.069 122 K CA -0.442 55.972 56.287 0.212 0.000 1.067 122 K CB -0.252 32.392 32.500 0.239 0.000 0.807 122 K HN 0.015 nan 8.250 nan 0.000 0.482 123 F N 0.459 120.535 119.950 0.209 0.000 2.186 123 F HA -0.189 4.338 4.527 0.000 0.000 0.299 123 F C 2.223 178.109 175.800 0.143 0.000 1.090 123 F CA 0.918 59.053 58.000 0.224 0.000 1.307 123 F CB -0.535 38.634 39.000 0.282 0.000 1.019 123 F HN -0.203 nan 8.300 nan 0.000 0.489 124 V N -0.203 119.872 119.914 0.269 0.000 2.343 124 V HA -0.268 3.852 4.120 0.000 0.000 0.247 124 V C 2.070 178.200 176.094 0.060 0.000 1.051 124 V CA 1.965 64.357 62.300 0.154 0.000 1.036 124 V CB -0.583 31.300 31.823 0.101 0.000 0.654 124 V HN 0.215 nan 8.190 nan 0.000 0.451 125 E N -0.863 119.334 120.200 -0.006 0.000 2.107 125 E HA -0.115 4.235 4.350 0.000 0.000 0.191 125 E C 2.049 178.402 176.600 -0.411 0.000 0.982 125 E CA 1.168 57.431 56.400 -0.229 0.000 0.809 125 E CB -0.118 29.392 29.700 -0.315 0.000 0.756 125 E HN 0.682 nan 8.360 nan 0.000 0.459 126 H N -2.456 116.604 119.070 -0.017 0.000 3.046 126 H HA 0.303 4.860 4.556 0.001 0.000 0.262 126 H C 1.688 176.969 175.328 -0.079 0.000 1.044 126 H CA 0.715 56.722 56.048 -0.067 0.000 1.209 126 H CB 0.871 30.576 29.762 -0.095 0.000 1.507 126 H HN 0.216 nan 8.280 nan 0.000 0.507 127 G N 0.564 109.412 108.800 0.080 0.000 2.683 127 G HA2 0.039 3.999 3.960 0.000 0.000 0.213 127 G HA3 0.039 3.999 3.960 0.000 0.000 0.213 127 G C 1.008 175.872 174.900 -0.061 0.000 1.142 127 G CA 0.471 45.631 45.100 0.100 0.000 0.793 127 G HN 0.308 nan 8.290 nan 0.000 0.534 128 G N -1.028 107.685 108.800 -0.144 0.000 2.588 128 G HA2 0.492 4.452 3.960 0.000 0.000 0.281 128 G HA3 0.492 4.452 3.960 0.000 0.000 0.281 128 G C -0.954 173.454 174.900 -0.820 0.000 1.236 128 G CA -0.624 44.191 45.100 -0.474 0.000 0.969 128 G HN 0.245 nan 8.290 nan 0.000 0.504 129 H N -1.077 117.316 119.070 -1.128 0.000 2.469 129 H HA 0.251 4.807 4.556 0.000 0.000 0.342 129 H C -0.815 174.344 175.328 -0.282 0.000 1.115 129 H CA -0.370 55.340 56.048 -0.563 0.000 1.204 129 H CB 1.669 31.155 29.762 -0.460 0.000 1.492 129 H HN 0.404 nan 8.280 nan 0.000 0.499 130 D N 2.711 123.107 120.400 -0.007 0.000 2.453 130 D HA 0.197 4.837 4.640 0.000 0.000 0.223 130 D C 0.117 176.458 176.300 0.068 0.000 1.183 130 D CA -0.276 53.741 54.000 0.029 0.000 0.933 130 D CB -0.130 40.673 40.800 0.006 0.000 1.038 130 D HN 0.567 nan 8.370 nan 0.000 0.513 131 N N -0.545 118.222 118.700 0.111 0.000 2.710 131 N HA 0.309 5.049 4.740 0.000 0.000 0.257 131 N C 0.651 176.253 175.510 0.154 0.000 1.140 131 N CA 0.286 53.413 53.050 0.129 0.000 0.953 131 N CB 1.224 39.809 38.487 0.163 0.000 1.664 131 N HN 0.145 nan 8.380 nan 0.000 0.497 132 D N 0.707 121.171 120.400 0.107 0.000 2.106 132 D HA 0.097 4.737 4.640 0.000 0.000 0.194 132 D C 1.354 177.706 176.300 0.086 0.000 0.988 132 D CA 4.147 58.198 54.000 0.085 0.000 0.845 132 D CB -1.482 39.352 40.800 0.057 0.000 0.990 132 D HN 1.212 nan 8.370 nan 0.000 0.448 133 T N -2.415 112.184 114.554 0.076 0.000 14.013 133 T HA -0.289 4.061 4.350 0.000 0.000 0.419 133 T C 1.523 176.293 174.700 0.118 0.000 1.443 133 T CA 2.181 64.334 62.100 0.089 0.000 2.340 133 T CB -1.978 66.948 68.868 0.097 0.000 2.763 133 T HN 1.102 nan 8.240 nan 0.000 0.336 134 Y N 3.271 123.611 120.300 0.067 0.000 2.184 134 Y HA 0.276 4.826 4.550 -0.000 0.000 0.290 134 Y C 3.131 179.082 175.900 0.084 0.000 1.129 134 Y CA 3.595 61.754 58.100 0.099 0.000 1.144 134 Y CB -0.719 37.834 38.460 0.155 0.000 0.995 134 Y HN 0.865 nan 8.280 nan 0.000 0.513 135 K N 0.239 120.790 120.400 0.251 0.000 2.074 135 K HA -0.240 4.081 4.320 0.000 0.000 0.209 135 K C 2.010 178.619 176.600 0.016 0.000 1.048 135 K CA 2.389 58.762 56.287 0.143 0.000 0.926 135 K CB -1.659 30.919 32.500 0.130 0.000 0.713 135 K HN 0.630 nan 8.250 nan 0.000 0.444 136 Q N -0.059 119.746 119.800 0.009 0.000 2.269 136 Q HA 0.012 4.352 4.340 0.000 0.000 0.201 136 Q C 1.665 177.635 176.000 -0.050 0.000 0.946 136 Q CA 1.251 57.044 55.803 -0.016 0.000 0.877 136 Q CB -0.371 28.369 28.738 0.003 0.000 0.963 136 Q HN 0.805 nan 8.270 nan 0.000 0.472 137 N N -0.805 117.848 118.700 -0.078 0.000 2.388 137 N HA 0.183 4.923 4.740 0.000 0.000 0.176 137 N C 0.969 176.388 175.510 -0.151 0.000 1.062 137 N CA 1.034 54.033 53.050 -0.085 0.000 0.895 137 N CB 0.507 38.968 38.487 -0.044 0.000 1.018 137 N HN 0.543 nan 8.380 nan 0.000 0.456 138 c N -0.348 118.055 118.600 -0.328 0.000 3.724 138 c HA 0.215 4.786 4.570 0.000 0.000 0.327 138 c C 0.466 174.330 174.090 -0.376 0.000 1.490 138 c CA -1.262 54.775 56.329 -0.486 0.000 1.825 138 c CB -0.182 41.620 42.510 -1.179 0.000 2.613 138 c HN 0.171 nan 8.230 nan 0.000 0.692 139 D N 1.078 121.337 120.400 -0.234 0.000 2.658 139 D HA 0.347 4.987 4.640 0.000 0.000 0.230 139 D C 1.407 177.702 176.300 -0.009 0.000 1.118 139 D CA 2.505 56.473 54.000 -0.054 0.000 0.848 139 D CB 0.137 40.916 40.800 -0.035 0.000 1.160 139 D HN 0.624 nan 8.370 nan 0.000 0.497 140 G N 3.173 112.028 108.800 0.091 0.000 2.199 140 G HA2 -0.377 3.583 3.960 0.000 0.000 0.254 140 G HA3 -0.377 3.583 3.960 0.000 0.000 0.254 140 G C 1.067 176.128 174.900 0.268 0.000 0.982 140 G CA 0.565 45.733 45.100 0.113 0.000 0.632 140 G HN 0.587 nan 8.290 nan 0.000 0.529 141 Q N -0.372 119.574 119.800 0.243 0.000 2.364 141 Q HA 0.128 4.469 4.340 0.000 0.000 0.207 141 Q C 2.606 178.737 176.000 0.219 0.000 0.970 141 Q CA 1.132 57.083 55.803 0.247 0.000 0.888 141 Q CB -0.037 28.822 28.738 0.202 0.000 0.951 141 Q HN 0.607 nan 8.270 nan 0.000 0.469 142 V N 0.447 120.526 119.914 0.275 0.000 2.568 142 V HA -0.225 3.895 4.120 0.000 0.000 0.253 142 V C 1.597 177.829 176.094 0.230 0.000 1.072 142 V CA 1.392 63.858 62.300 0.277 0.000 1.084 142 V CB -0.084 31.940 31.823 0.334 0.000 0.676 142 V HN 0.412 nan 8.190 nan 0.000 0.469 143 M N 0.156 119.882 119.600 0.210 0.000 2.495 143 M HA 0.294 4.774 4.480 0.000 0.000 0.237 143 M C 1.170 177.482 176.300 0.019 0.000 1.131 143 M CA 0.374 55.763 55.300 0.148 0.000 1.032 143 M CB -1.117 31.578 32.600 0.158 0.000 1.513 143 M HN 0.369 nan 8.290 nan 0.000 0.488 144 G N 1.069 109.743 108.800 -0.211 0.000 2.491 144 G HA2 0.261 4.221 3.960 0.000 0.000 0.242 144 G HA3 0.261 4.221 3.960 0.000 0.000 0.242 144 G C -1.011 173.660 174.900 -0.381 0.000 1.266 144 G CA -0.141 44.510 45.100 -0.749 0.000 0.844 144 G HN 0.455 nan 8.290 nan 0.000 0.571 145 Y N -0.011 120.023 120.300 -0.444 0.000 2.545 145 Y HA 0.721 5.271 4.550 0.001 0.000 0.348 145 Y C -1.307 174.396 175.900 -0.329 0.000 1.002 145 Y CA -2.294 55.653 58.100 -0.254 0.000 1.039 145 Y CB 1.085 39.509 38.460 -0.060 0.000 1.271 145 Y HN 0.468 nan 8.280 nan 0.000 0.467 146 Y N 1.820 122.201 120.300 0.135 0.000 2.403 146 Y HA 0.440 4.991 4.550 0.001 0.000 0.323 146 Y C 0.058 175.912 175.900 -0.078 0.000 1.226 146 Y CA -0.518 57.556 58.100 -0.044 0.000 1.235 146 Y CB 1.227 39.602 38.460 -0.141 0.000 1.248 146 Y HN 0.830 nan 8.280 nan 0.000 0.489 147 D N -1.276 119.023 120.400 -0.168 0.000 2.758 147 D HA 0.288 4.929 4.640 0.000 0.000 0.262 147 D C 1.140 176.532 176.300 -1.514 0.000 1.113 147 D CA -0.626 52.901 54.000 -0.788 0.000 1.114 147 D CB 0.277 40.876 40.800 -0.335 0.000 1.363 147 D HN 0.578 nan 8.370 nan 0.000 0.617 148 G N -1.205 106.217 108.800 -2.297 0.000 2.586 148 G HA2 -0.211 3.749 3.960 0.000 0.000 0.215 148 G HA3 -0.211 3.749 3.960 0.000 0.000 0.215 148 G C 0.760 175.289 174.900 -0.619 0.000 1.128 148 G CA 0.331 44.478 45.100 -1.589 0.000 0.774 148 G HN 0.587 nan 8.290 nan 0.000 0.543 149 N N -0.732 117.700 118.700 -0.446 0.000 2.463 149 N HA 0.038 4.778 4.740 0.000 0.000 0.181 149 N C 1.719 177.091 175.510 -0.229 0.000 1.078 149 N CA 0.995 53.914 53.050 -0.218 0.000 0.902 149 N CB 0.317 38.733 38.487 -0.117 0.000 0.970 149 N HN 0.194 nan 8.380 nan 0.000 0.451 150 T N -0.721 113.619 114.554 -0.356 0.000 3.182 150 T HA 0.032 4.382 4.350 0.000 0.000 0.244 150 T C 1.077 175.483 174.700 -0.491 0.000 0.981 150 T CA 0.078 61.966 62.100 -0.353 0.000 1.182 150 T CB 0.144 68.827 68.868 -0.308 0.000 1.043 150 T HN 0.039 nan 8.240 nan 0.000 0.424 151 V N 2.584 122.082 119.914 -0.693 0.000 2.443 151 V HA 0.333 4.453 4.120 0.000 0.000 0.326 151 V C 1.229 176.972 176.094 -0.585 0.000 1.580 151 V CA -0.225 61.636 62.300 -0.731 0.000 1.629 151 V CB -1.403 29.787 31.823 -1.055 0.000 1.471 151 V HN 0.290 nan 8.190 nan 0.000 0.532 152 T N 1.646 115.968 114.554 -0.387 0.000 2.701 152 T HA -0.100 4.250 4.350 0.000 0.000 0.263 152 T C 2.202 176.842 174.700 -0.101 0.000 1.040 152 T CA 1.985 63.953 62.100 -0.220 0.000 1.147 152 T CB -0.180 68.611 68.868 -0.127 0.000 0.865 152 T HN 0.818 nan 8.240 nan 0.000 0.426 153 A N 1.440 124.175 122.820 -0.140 0.000 1.892 153 A HA -0.058 4.262 4.320 0.000 0.000 0.218 153 A C 2.357 179.847 177.584 -0.156 0.000 1.188 153 A CA 1.455 53.361 52.037 -0.218 0.000 0.631 153 A CB -1.055 17.861 19.000 -0.140 0.000 0.822 153 A HN 0.465 nan 8.150 nan 0.000 0.447 154 L N -2.552 118.708 121.223 0.062 0.000 2.046 154 L HA -0.225 4.115 4.340 0.000 0.000 0.208 154 L C 2.622 179.771 176.870 0.464 0.000 1.077 154 L CA 1.237 56.279 54.840 0.338 0.000 0.747 154 L CB -0.461 41.704 42.059 0.176 0.000 0.896 154 L HN 0.581 nan 8.230 nan 0.000 0.432 155 W N 0.365 121.626 121.300 -0.065 0.000 2.388 155 W HA -0.123 4.537 4.660 0.000 0.000 0.294 155 W C 2.566 179.286 176.519 0.334 0.000 1.212 155 W CA 0.631 58.010 57.345 0.057 0.000 1.271 155 W CB -0.816 28.356 29.460 -0.480 0.000 1.126 155 W HN 0.188 nan 8.180 nan 0.000 0.535 156 N N -1.094 117.863 118.700 0.428 0.000 2.244 156 N HA -0.171 4.569 4.740 0.000 0.000 0.183 156 N C 1.497 177.165 175.510 0.263 0.000 1.016 156 N CA 1.230 54.471 53.050 0.319 0.000 0.866 156 N CB -0.907 37.654 38.487 0.124 0.000 0.980 156 N HN 0.138 nan 8.380 nan 0.000 0.430 157 Y N 1.493 122.016 120.300 0.373 0.000 2.128 157 Y HA -0.084 4.466 4.550 0.000 0.000 0.284 157 Y C 2.483 178.629 175.900 0.409 0.000 1.154 157 Y CA 0.786 59.144 58.100 0.430 0.000 1.149 157 Y CB -1.000 37.636 38.460 0.294 0.000 0.976 157 Y HN 0.022 nan 8.280 nan 0.000 0.505 158 A N -0.142 122.950 122.820 0.453 0.000 1.940 158 A HA -0.221 4.099 4.320 0.000 0.000 0.219 158 A C 2.129 179.889 177.584 0.294 0.000 1.176 158 A CA 1.633 53.807 52.037 0.228 0.000 0.631 158 A CB -0.578 18.368 19.000 -0.089 0.000 0.814 158 A HN 0.423 nan 8.150 nan 0.000 0.446 159 Q N -0.425 119.613 119.800 0.396 0.000 2.364 159 Q HA -0.064 4.276 4.340 0.000 0.000 0.207 159 Q C 0.762 176.836 176.000 0.124 0.000 0.970 159 Q CA 1.033 57.017 55.803 0.303 0.000 0.888 159 Q CB -0.144 28.789 28.738 0.326 0.000 0.951 159 Q HN 0.737 nan 8.270 nan 0.000 0.469 160 N N -1.542 117.204 118.700 0.077 0.000 2.166 160 N HA 0.166 4.906 4.740 0.000 0.000 0.213 160 N C -0.092 175.011 175.510 -0.680 0.000 1.222 160 N CA 0.196 53.075 53.050 -0.284 0.000 0.900 160 N CB 0.834 39.114 38.487 -0.344 0.000 1.055 160 N HN 0.025 nan 8.380 nan 0.000 0.515 161 F N 0.348 120.391 119.950 0.155 0.000 3.470 161 F HA 0.647 5.174 4.527 0.000 0.000 0.323 161 F C -0.431 175.404 175.800 0.057 0.000 1.340 161 F CA -1.160 56.904 58.000 0.106 0.000 0.997 161 F CB 0.348 39.425 39.000 0.128 0.000 1.631 161 F HN -0.313 nan 8.300 nan 0.000 0.497 162 A N 0.818 123.770 122.820 0.220 0.000 2.337 162 A HA 0.786 5.106 4.320 0.000 0.000 0.329 162 A C -1.913 175.652 177.584 -0.032 0.000 1.146 162 A CA -0.486 51.590 52.037 0.065 0.000 0.800 162 A CB 1.457 20.435 19.000 -0.036 0.000 1.220 162 A HN 0.606 nan 8.150 nan 0.000 0.472 163 L N 1.979 123.138 121.223 -0.107 0.000 2.381 163 L HA 0.581 4.922 4.340 0.000 0.000 0.268 163 L C -0.822 175.919 176.870 -0.216 0.000 0.997 163 L CA -0.421 54.278 54.840 -0.235 0.000 0.818 163 L CB 2.014 43.817 42.059 -0.427 0.000 1.310 163 L HN 0.735 nan 8.230 nan 0.000 0.416 164 N N 2.374 120.956 118.700 -0.197 0.000 2.392 164 N HA 0.265 5.005 4.740 0.000 0.000 0.283 164 N C -0.972 174.410 175.510 -0.214 0.000 1.003 164 N CA -0.256 52.680 53.050 -0.191 0.000 0.892 164 N CB 1.728 40.122 38.487 -0.155 0.000 1.193 164 N HN 0.785 nan 8.380 nan 0.000 0.487 165 D N 1.697 121.913 120.400 -0.307 0.000 2.463 165 D HA 0.085 4.725 4.640 0.000 0.000 0.224 165 D C -0.228 175.671 176.300 -0.668 0.000 1.174 165 D CA -0.093 53.478 54.000 -0.714 0.000 0.829 165 D CB -0.233 40.200 40.800 -0.611 0.000 0.993 165 D HN 0.295 nan 8.370 nan 0.000 0.497 166 N N -0.315 118.120 118.700 -0.442 0.000 2.536 166 N HA 0.108 4.848 4.740 0.000 0.000 0.286 166 N C -1.429 173.832 175.510 -0.414 0.000 1.577 166 N CA -0.128 52.707 53.050 -0.358 0.000 0.883 166 N CB 0.774 39.228 38.487 -0.055 0.000 1.390 166 N HN -0.129 nan 8.380 nan 0.000 0.491 167 T N 0.647 114.816 114.554 -0.643 0.000 2.779 167 T HA 0.531 4.881 4.350 0.000 0.000 0.280 167 T C -0.727 173.558 174.700 -0.691 0.000 0.987 167 T CA -0.090 61.742 62.100 -0.448 0.000 0.966 167 T CB 0.665 69.406 68.868 -0.211 0.000 0.933 167 T HN -0.022 nan 8.240 nan 0.000 0.442 168 F N 0.564 120.410 119.950 -0.175 0.000 2.579 168 F HA 0.627 5.154 4.527 0.000 0.000 0.324 168 F C 1.111 176.836 175.800 -0.125 0.000 1.058 168 F CA -1.207 56.703 58.000 -0.150 0.000 0.944 168 F CB 1.136 40.020 39.000 -0.194 0.000 1.245 168 F HN 0.655 nan 8.300 nan 0.000 0.477 169 G N 0.547 109.427 108.800 0.134 0.000 2.353 169 G HA2 0.236 4.196 3.960 0.000 0.000 0.239 169 G HA3 0.236 4.196 3.960 0.000 0.000 0.239 169 G C 0.666 175.645 174.900 0.131 0.000 1.295 169 G CA -0.222 44.943 45.100 0.108 0.000 0.884 169 G HN 0.751 nan 8.290 nan 0.000 0.537 170 T N 0.937 115.584 114.554 0.155 0.000 2.788 170 T HA -0.045 4.305 4.350 0.000 0.000 0.268 170 T C 1.642 176.505 174.700 0.270 0.000 1.044 170 T CA 1.737 63.997 62.100 0.266 0.000 1.139 170 T CB -0.238 68.746 68.868 0.194 0.000 0.867 170 T HN 0.874 nan 8.240 nan 0.000 0.454 171 T N -1.058 113.590 114.554 0.157 0.000 2.910 171 T HA 0.659 5.009 4.350 0.000 0.000 0.287 171 T C -0.207 174.511 174.700 0.030 0.000 1.050 171 T CA -1.075 61.108 62.100 0.138 0.000 1.011 171 T CB 0.890 69.891 68.868 0.222 0.000 1.195 171 T HN -0.013 nan 8.240 nan 0.000 0.540 172 F N 1.082 121.023 119.950 -0.015 0.000 2.532 172 F HA 0.495 5.023 4.527 0.001 0.000 0.323 172 F C 1.793 177.647 175.800 0.090 0.000 1.234 172 F CA 1.713 59.642 58.000 -0.118 0.000 1.323 172 F CB -0.176 38.525 39.000 -0.498 0.000 1.183 172 F HN 1.294 nan 8.300 nan 0.000 0.589 173 G N 0.501 109.471 108.800 0.283 0.000 2.483 173 G HA2 0.023 3.983 3.960 0.000 0.000 0.521 173 G HA3 0.023 3.983 3.960 0.000 0.000 0.521 173 G C -3.051 172.007 174.900 0.263 0.000 1.278 173 G CA -0.791 44.490 45.100 0.303 0.000 0.965 173 G HN 0.537 nan 8.290 nan 0.000 0.504 174 P HA 0.402 nan 4.420 nan 0.000 0.344 174 P C 1.108 178.579 177.300 0.285 0.000 1.321 174 P CA 0.798 64.119 63.100 0.368 0.000 0.773 174 P CB 0.484 32.437 31.700 0.420 0.000 1.723 175 S N -0.879 115.032 115.700 0.352 0.000 2.371 175 S HA -0.084 4.387 4.470 0.000 0.000 0.224 175 S C 2.002 176.763 174.600 0.269 0.000 1.029 175 S CA 1.932 60.302 58.200 0.283 0.000 0.978 175 S CB -1.400 62.065 63.200 0.442 0.000 0.833 175 S HN 0.516 nan 8.310 nan 0.000 0.466 176 T N 2.826 117.564 114.554 0.307 0.000 2.708 176 T HA -0.039 4.312 4.350 0.000 0.000 0.266 176 T C -0.704 174.005 174.700 0.016 0.000 1.037 176 T CA 1.291 63.477 62.100 0.143 0.000 1.146 176 T CB -1.418 67.518 68.868 0.112 0.000 0.865 176 T HN 0.311 nan 8.240 nan 0.000 0.435 177 P HA -0.064 nan 4.420 nan 0.000 0.215 177 P C 1.736 179.093 177.300 0.095 0.000 1.153 177 P CA 1.222 64.350 63.100 0.047 0.000 0.853 177 P CB -0.493 31.264 31.700 0.095 0.000 0.788 178 G N 0.060 108.958 108.800 0.165 0.000 2.446 178 G HA2 -0.271 3.689 3.960 0.000 0.000 0.217 178 G HA3 -0.271 3.689 3.960 0.000 0.000 0.217 178 G C 1.668 176.755 174.900 0.312 0.000 1.168 178 G CA 1.061 46.315 45.100 0.256 0.000 0.771 178 G HN 0.331 nan 8.290 nan 0.000 0.551 179 A N 0.514 123.509 122.820 0.292 0.000 1.902 179 A HA 0.113 4.433 4.320 0.000 0.000 0.217 179 A C 2.466 180.000 177.584 -0.083 0.000 1.181 179 A CA 1.330 53.477 52.037 0.183 0.000 0.623 179 A CB -0.419 18.683 19.000 0.171 0.000 0.818 179 A HN 0.352 nan 8.150 nan 0.000 0.443 180 L N -0.223 120.949 121.223 -0.086 0.000 2.046 180 L HA -0.206 4.134 4.340 0.000 0.000 0.208 180 L C 2.281 179.148 176.870 -0.005 0.000 1.077 180 L CA 1.271 56.070 54.840 -0.068 0.000 0.747 180 L CB -0.718 41.261 42.059 -0.132 0.000 0.896 180 L HN 0.351 nan 8.230 nan 0.000 0.432 181 N N 0.202 118.913 118.700 0.018 0.000 2.223 181 N HA -0.185 4.555 4.740 0.000 0.000 0.185 181 N C 1.815 177.338 175.510 0.021 0.000 1.016 181 N CA 1.119 54.194 53.050 0.043 0.000 0.863 181 N CB -0.313 38.224 38.487 0.083 0.000 0.983 181 N HN 0.183 nan 8.380 nan 0.000 0.429 182 L N 0.913 122.114 121.223 -0.037 0.000 2.046 182 L HA -0.098 4.243 4.340 0.000 0.000 0.208 182 L C 2.023 178.847 176.870 -0.076 0.000 1.077 182 L CA 1.280 56.058 54.840 -0.104 0.000 0.747 182 L CB -0.309 41.503 42.059 -0.412 0.000 0.896 182 L HN 0.129 nan 8.230 nan 0.000 0.432 183 V N -4.365 115.437 119.914 -0.187 0.000 3.471 183 V HA 0.436 4.557 4.120 0.000 0.000 0.258 183 V C 1.615 177.612 176.094 -0.162 0.000 1.192 183 V CA 0.823 62.973 62.300 -0.251 0.000 1.116 183 V CB -0.188 31.182 31.823 -0.755 0.000 0.792 183 V HN 0.327 nan 8.190 nan 0.000 0.459 184 A N -0.405 122.377 122.820 -0.063 0.000 2.377 184 A HA 0.584 4.904 4.320 0.000 0.000 0.209 184 A C 1.905 179.534 177.584 0.075 0.000 1.359 184 A CA 0.782 52.837 52.037 0.030 0.000 1.026 184 A CB 0.190 19.304 19.000 0.190 0.000 1.224 184 A HN 1.622 nan 8.150 nan 0.000 0.528 185 G N -0.897 107.938 108.800 0.058 0.000 2.203 185 G HA2 0.178 4.138 3.960 0.000 0.000 0.263 185 G HA3 0.178 4.138 3.960 0.000 0.000 0.263 185 G C 0.307 175.215 174.900 0.013 0.000 1.012 185 G CA 0.858 45.996 45.100 0.063 0.000 0.749 185 G HN 1.958 nan 8.290 nan 0.000 0.512 186 A N -0.638 122.203 122.820 0.036 0.000 2.594 186 A HA 0.728 5.048 4.320 0.000 0.000 0.295 186 A C 0.182 177.788 177.584 0.038 0.000 1.071 186 A CA 0.133 52.166 52.037 -0.007 0.000 0.685 186 A CB 0.909 19.947 19.000 0.063 0.000 1.285 186 A HN 0.826 nan 8.150 nan 0.000 0.405 187 N N 0.734 119.454 118.700 0.034 0.000 2.328 187 N HA 0.457 5.197 4.740 0.000 0.000 0.247 187 N C 0.233 175.763 175.510 0.033 0.000 1.165 187 N CA 0.506 53.566 53.050 0.018 0.000 0.873 187 N CB 1.019 39.515 38.487 0.016 0.000 1.125 187 N HN 1.439 nan 8.380 nan 0.000 0.513 188 G N 0.008 108.809 108.800 0.002 0.000 2.323 188 G HA2 0.263 4.223 3.960 0.000 0.000 0.291 188 G HA3 0.263 4.223 3.960 0.000 0.000 0.291 188 G C -3.418 171.220 174.900 -0.437 0.000 1.278 188 G CA -0.839 44.075 45.100 -0.309 0.000 0.860 188 G HN -0.010 nan 8.290 nan 0.000 0.504 189 P HA 0.501 nan 4.420 nan 0.000 0.268 189 P C -0.316 176.656 177.300 -0.548 0.000 1.205 189 P CA 0.424 63.035 63.100 -0.815 0.000 0.771 189 P CB 1.402 32.707 31.700 -0.657 0.000 0.858 190 A N 2.792 125.327 122.820 -0.476 0.000 2.556 190 A HA 0.871 5.191 4.320 0.000 0.000 0.294 190 A C -0.952 176.490 177.584 -0.237 0.000 1.091 190 A CA -0.620 51.221 52.037 -0.326 0.000 0.704 190 A CB 1.348 20.177 19.000 -0.285 0.000 1.300 190 A HN 0.567 nan 8.150 nan 0.000 0.406 191 M N 0.246 119.745 119.600 -0.168 0.000 2.501 191 M HA 0.815 5.295 4.480 0.000 0.000 0.293 191 M C -0.637 175.625 176.300 -0.063 0.000 1.192 191 M CA -0.406 54.825 55.300 -0.115 0.000 0.886 191 M CB 1.943 34.476 32.600 -0.111 0.000 1.710 191 M HN 0.845 nan 8.290 nan 0.000 0.457 192 S N 1.484 117.164 115.700 -0.034 0.000 2.500 192 S HA 0.731 5.201 4.470 0.000 0.000 0.301 192 S C -2.279 172.335 174.600 0.022 0.000 1.092 192 S CA -1.327 56.881 58.200 0.013 0.000 1.030 192 S CB 1.483 64.688 63.200 0.007 0.000 1.031 192 S HN 0.713 nan 8.310 nan 0.000 0.483 193 P HA -0.011 nan 4.420 nan 0.000 0.221 193 P C 0.749 178.067 177.300 0.029 0.000 1.145 193 P CA 0.902 64.039 63.100 0.061 0.000 0.795 193 P CB 0.137 31.903 31.700 0.110 0.000 0.775 194 S N -1.526 114.186 115.700 0.021 0.000 2.593 194 S HA 0.358 4.828 4.470 0.000 0.000 0.217 194 S C 1.164 175.762 174.600 -0.003 0.000 0.966 194 S CA 0.491 58.695 58.200 0.006 0.000 0.914 194 S CB -0.598 62.602 63.200 0.001 0.000 0.776 194 S HN 0.431 nan 8.310 nan 0.000 0.523 195 G N 2.404 111.200 108.800 -0.006 0.000 2.693 195 G HA2 -0.285 3.675 3.960 0.000 0.000 0.226 195 G HA3 -0.285 3.675 3.960 0.000 0.000 0.226 195 G C 0.308 175.196 174.900 -0.021 0.000 1.354 195 G CA -0.056 45.035 45.100 -0.016 0.000 0.873 195 G HN 0.269 nan 8.290 nan 0.000 0.562 196 N N -0.113 118.572 118.700 -0.024 0.000 2.120 196 N HA -0.032 4.708 4.740 0.000 0.000 0.188 196 N C 2.030 177.527 175.510 -0.021 0.000 1.024 196 N CA 1.497 54.531 53.050 -0.028 0.000 0.852 196 N CB -0.619 37.854 38.487 -0.024 0.000 1.003 196 N HN 0.839 nan 8.380 nan 0.000 0.424 197 L N -0.442 120.772 121.223 -0.015 0.000 6.136 197 L HA -0.329 4.011 4.340 0.000 0.000 0.053 197 L C 0.624 177.489 176.870 -0.007 0.000 2.071 197 L CA 1.483 56.316 54.840 -0.011 0.000 1.739 197 L CB -0.705 41.346 42.059 -0.012 0.000 2.668 197 L HN 0.223 nan 8.230 nan 0.000 0.983 198 E N 0.250 120.448 120.200 -0.004 0.000 2.499 198 E HA 0.122 4.473 4.350 0.000 0.000 0.199 198 E C 0.759 177.355 176.600 -0.006 0.000 1.016 198 E CA 0.014 56.419 56.400 0.008 0.000 0.933 198 E CB 0.098 29.811 29.700 0.022 0.000 1.050 198 E HN 0.402 nan 8.360 nan 0.000 0.462 199 N N 0.176 118.863 118.700 -0.023 0.000 2.402 199 N HA 0.120 4.860 4.740 0.000 0.000 0.174 199 N C 0.507 175.977 175.510 -0.067 0.000 1.027 199 N CA 0.511 53.538 53.050 -0.037 0.000 0.891 199 N CB 1.365 39.836 38.487 -0.026 0.000 1.016 199 N HN 0.173 nan 8.380 nan 0.000 0.439 200 I N 0.750 121.280 120.570 -0.066 0.000 2.582 200 I HA 0.263 4.434 4.170 0.000 0.000 0.292 200 I C -0.786 175.288 176.117 -0.072 0.000 1.066 200 I CA -0.541 60.708 61.300 -0.085 0.000 1.053 200 I CB 2.633 40.583 38.000 -0.083 0.000 1.241 200 I HN -0.231 nan 8.210 nan 0.000 0.421 201 E N 3.969 124.122 120.200 -0.078 0.000 2.256 201 E HA 0.255 4.605 4.350 0.000 0.000 0.268 201 E C -0.539 176.072 176.600 0.019 0.000 0.877 201 E CA -0.684 55.700 56.400 -0.027 0.000 0.757 201 E CB 1.629 31.313 29.700 -0.025 0.000 1.183 201 E HN 0.600 nan 8.360 nan 0.000 0.418 202 N N 2.719 121.431 118.700 0.021 0.000 2.721 202 N HA -0.269 4.472 4.740 0.000 0.000 0.249 202 N C -0.940 174.541 175.510 -0.048 0.000 1.072 202 N CA 1.297 54.377 53.050 0.050 0.000 0.710 202 N CB -1.525 37.052 38.487 0.149 0.000 0.993 202 N HN 0.845 nan 8.380 nan 0.000 0.547 203 N N -3.050 115.552 118.700 -0.164 0.000 2.708 203 N HA -0.259 4.481 4.740 0.000 0.000 0.251 203 N C -1.305 173.807 175.510 -0.664 0.000 1.123 203 N CA 1.575 54.405 53.050 -0.367 0.000 0.739 203 N CB -1.314 36.938 38.487 -0.393 0.000 1.113 203 N HN 0.566 nan 8.380 nan 0.000 0.561 204 Y N 0.017 120.238 120.300 -0.133 0.000 2.377 204 Y HA 0.525 5.075 4.550 0.000 0.000 0.339 204 Y C 0.784 176.575 175.900 -0.183 0.000 1.011 204 Y CA -0.954 57.049 58.100 -0.162 0.000 1.093 204 Y CB 0.983 39.362 38.460 -0.135 0.000 1.201 204 Y HN -0.048 nan 8.280 nan 0.000 0.455 205 I N 5.407 125.941 120.570 -0.059 0.000 2.436 205 I HA 0.057 4.227 4.170 0.000 0.000 0.289 205 I C 1.118 177.163 176.117 -0.120 0.000 1.083 205 I CA 0.431 61.669 61.300 -0.103 0.000 1.372 205 I CB 0.496 38.417 38.000 -0.131 0.000 1.408 205 I HN 0.712 nan 8.210 nan 0.000 0.516 206 I N 1.271 121.727 120.570 -0.191 0.000 4.057 206 I HA 0.369 4.540 4.170 0.000 0.000 0.334 206 I C 0.337 176.391 176.117 -0.105 0.000 1.308 206 I CA 0.189 61.306 61.300 -0.306 0.000 1.125 206 I CB 0.311 37.813 38.000 -0.830 0.000 1.034 206 I HN 0.487 nan 8.210 nan 0.000 0.401 207 D N 0.276 120.646 120.400 -0.050 0.000 3.124 207 D HA 0.274 4.915 4.640 0.000 0.000 0.238 207 D C -0.835 175.481 176.300 0.028 0.000 1.319 207 D CA -0.444 53.564 54.000 0.013 0.000 1.057 207 D CB 1.241 42.043 40.800 0.002 0.000 1.244 207 D HN 0.010 nan 8.370 nan 0.000 0.634 208 D N 1.033 121.432 120.400 -0.001 0.000 3.018 208 D HA 0.269 4.909 4.640 0.000 0.000 0.331 208 D C -2.236 174.032 176.300 -0.053 0.000 1.334 208 D CA -1.052 52.929 54.000 -0.032 0.000 0.900 208 D CB 0.842 41.487 40.800 -0.259 0.000 1.059 208 D HN 0.150 nan 8.370 nan 0.000 0.498 209 P HA 0.053 nan 4.420 nan 0.000 0.271 209 P C 0.279 177.668 177.300 0.149 0.000 1.218 209 P CA -0.362 62.767 63.100 0.049 0.000 0.780 209 P CB 1.207 32.949 31.700 0.070 0.000 0.901 210 N N 2.448 121.157 118.700 0.014 0.000 2.444 210 N HA 0.188 4.928 4.740 0.000 0.000 0.255 210 N C -2.126 173.220 175.510 -0.274 0.000 1.255 210 N CA -1.579 51.440 53.050 -0.052 0.000 0.933 210 N CB -0.574 37.796 38.487 -0.195 0.000 1.143 210 N HN 0.358 nan 8.380 nan 0.000 0.453 211 P HA -0.023 nan 4.420 nan 0.000 0.271 211 P C 0.385 177.435 177.300 -0.415 0.000 1.216 211 P CA 0.064 62.529 63.100 -1.059 0.000 0.771 211 P CB 0.503 31.656 31.700 -0.912 0.000 0.864 212 Y N 3.491 123.556 120.300 -0.391 0.000 2.145 212 Y HA -0.181 4.369 4.550 0.000 0.000 0.286 212 Y C 0.880 176.633 175.900 -0.246 0.000 1.145 212 Y CA 1.550 59.467 58.100 -0.306 0.000 1.148 212 Y CB -0.350 37.823 38.460 -0.478 0.000 0.981 212 Y HN 0.246 nan 8.280 nan 0.000 0.507 213 Y N 1.132 121.537 120.300 0.174 0.000 2.826 213 Y HA 0.256 4.807 4.550 0.001 0.000 0.371 213 Y C -0.604 175.203 175.900 -0.156 0.000 1.252 213 Y CA -0.430 57.620 58.100 -0.085 0.000 1.813 213 Y CB -0.031 38.378 38.460 -0.086 0.000 1.913 213 Y HN -0.028 nan 8.280 nan 0.000 0.447 214 D N 0.361 120.795 120.400 0.057 0.000 2.452 214 D HA 0.073 4.713 4.640 0.000 0.000 0.226 214 D C 0.078 176.541 176.300 0.272 0.000 1.366 214 D CA -0.198 53.889 54.000 0.146 0.000 0.986 214 D CB 1.123 42.007 40.800 0.141 0.000 1.420 214 D HN 0.220 nan 8.370 nan 0.000 0.583 215 D N 1.630 122.176 120.400 0.243 0.000 2.172 215 D HA -0.134 4.507 4.640 0.000 0.000 0.196 215 D C 1.691 178.093 176.300 0.171 0.000 0.999 215 D CA 1.111 55.264 54.000 0.256 0.000 0.856 215 D CB 0.148 41.012 40.800 0.107 0.000 0.934 215 D HN 0.431 nan 8.370 nan 0.000 0.453 216 c N 0.272 118.872 118.600 0.000 0.000 2.576 216 c HA 0.118 4.688 4.570 0.000 0.000 0.267 216 c C 2.617 176.731 174.090 0.042 0.000 1.364 216 c CA -0.149 56.165 56.329 -0.026 0.000 1.723 216 c CB -1.001 41.425 42.510 -0.139 0.000 1.778 216 c HN 0.229 nan 8.230 nan 0.000 0.572 217 S N -0.354 115.318 115.700 -0.048 0.000 2.423 217 S HA -0.017 4.454 4.470 0.000 0.000 0.231 217 S C 0.384 174.739 174.600 -0.409 0.000 1.014 217 S CA 1.002 59.008 58.200 -0.325 0.000 0.965 217 S CB -0.157 62.634 63.200 -0.683 0.000 0.785 217 S HN 0.697 nan 8.310 nan 0.000 0.495 218 Y N -0.089 120.180 120.300 -0.051 0.000 2.392 218 Y HA 0.511 5.061 4.550 0.000 0.000 0.323 218 Y C 1.783 177.648 175.900 -0.059 0.000 1.291 218 Y CA -0.586 57.473 58.100 -0.068 0.000 1.345 218 Y CB 0.151 38.559 38.460 -0.086 0.000 1.320 218 Y HN 0.000 nan 8.280 nan 0.000 0.518 219 G N -0.877 107.989 108.800 0.110 0.000 2.559 219 G HA2 -0.188 3.772 3.960 0.000 0.000 0.216 219 G HA3 -0.188 3.772 3.960 0.000 0.000 0.216 219 G C 1.319 176.230 174.900 0.019 0.000 1.126 219 G CA 1.070 46.191 45.100 0.035 0.000 0.778 219 G HN 0.758 nan 8.290 nan 0.000 0.543 220 T N -1.610 112.963 114.554 0.032 0.000 2.881 220 T HA 0.072 4.422 4.350 0.000 0.000 0.270 220 T C 1.287 175.975 174.700 -0.021 0.000 1.068 220 T CA 0.840 62.939 62.100 -0.002 0.000 1.131 220 T CB 0.030 68.892 68.868 -0.010 0.000 0.871 220 T HN 0.076 nan 8.240 nan 0.000 0.479 221 S N 0.499 116.189 115.700 -0.016 0.000 2.549 221 S HA 0.398 4.868 4.470 0.000 0.000 0.297 221 S C 0.814 175.400 174.600 -0.025 0.000 1.115 221 S CA -0.970 57.207 58.200 -0.038 0.000 1.059 221 S CB 1.883 65.052 63.200 -0.053 0.000 1.046 221 S HN 0.241 nan 8.310 nan 0.000 0.506 222 K N 1.149 121.533 120.400 -0.027 0.000 2.362 222 K HA -0.063 4.257 4.320 0.000 0.000 0.200 222 K C 1.914 178.501 176.600 -0.022 0.000 1.046 222 K CA 1.095 57.369 56.287 -0.023 0.000 0.952 222 K CB -0.141 32.346 32.500 -0.022 0.000 0.753 222 K HN 0.683 nan 8.250 nan 0.000 0.466 223 S N 0.138 115.835 115.700 -0.005 0.000 2.489 223 S HA 0.000 4.470 4.470 0.000 0.000 0.228 223 S C 1.136 175.726 174.600 -0.016 0.000 0.995 223 S CA 0.138 58.343 58.200 0.009 0.000 0.934 223 S CB -0.009 63.263 63.200 0.121 0.000 0.771 223 S HN 0.235 nan 8.310 nan 0.000 0.522 224 G N 0.186 108.973 108.800 -0.021 0.000 2.557 224 G HA2 0.540 4.500 3.960 0.000 0.000 0.302 224 G HA3 0.540 4.500 3.960 0.000 0.000 0.302 224 G C -1.543 173.326 174.900 -0.052 0.000 1.311 224 G CA -0.431 44.640 45.100 -0.049 0.000 1.030 224 G HN 0.266 nan 8.290 nan 0.000 0.509 225 D N -2.455 117.903 120.400 -0.071 0.000 2.891 225 D HA 0.305 4.945 4.640 0.000 0.000 0.224 225 D C 1.101 177.371 176.300 -0.050 0.000 1.321 225 D CA -0.479 53.487 54.000 -0.055 0.000 0.929 225 D CB 1.334 42.096 40.800 -0.062 0.000 1.551 225 D HN 0.136 nan 8.370 nan 0.000 0.574 226 T N 1.936 116.476 114.554 -0.023 0.000 2.759 226 T HA -0.103 4.247 4.350 0.000 0.000 0.269 226 T C 1.155 175.844 174.700 -0.018 0.000 1.042 226 T CA 1.074 63.170 62.100 -0.007 0.000 1.140 226 T CB -0.078 68.789 68.868 -0.003 0.000 0.864 226 T HN 0.418 nan 8.240 nan 0.000 0.455 227 N N 0.862 119.546 118.700 -0.028 0.000 2.322 227 N HA 0.061 4.801 4.740 0.000 0.000 0.194 227 N C -0.140 175.346 175.510 -0.040 0.000 1.126 227 N CA 0.237 53.270 53.050 -0.028 0.000 0.845 227 N CB 0.466 38.939 38.487 -0.023 0.000 0.976 227 N HN 0.291 nan 8.380 nan 0.000 0.475 228 T N 0.888 115.407 114.554 -0.059 0.000 2.767 228 T HA 0.519 4.870 4.350 0.000 0.000 0.284 228 T C 0.346 174.996 174.700 -0.084 0.000 0.973 228 T CA -0.631 61.423 62.100 -0.077 0.000 0.996 228 T CB 1.866 70.673 68.868 -0.102 0.000 0.927 228 T HN 0.125 nan 8.240 nan 0.000 0.456 229 A N 3.065 125.848 122.820 -0.061 0.000 2.366 229 A HA 0.613 4.933 4.320 0.000 0.000 0.249 229 A C 0.562 178.104 177.584 -0.070 0.000 1.084 229 A CA -0.563 51.446 52.037 -0.048 0.000 0.794 229 A CB 0.072 19.059 19.000 -0.022 0.000 1.034 229 A HN 0.858 nan 8.150 nan 0.000 0.491 230 V N -1.796 118.081 119.914 -0.061 0.000 2.975 230 V HA 0.957 5.078 4.120 0.000 0.000 0.318 230 V C 0.140 176.264 176.094 0.049 0.000 1.077 230 V CA -0.254 62.004 62.300 -0.070 0.000 1.000 230 V CB 1.134 32.851 31.823 -0.177 0.000 1.066 230 V HN 1.838 nan 8.190 nan 0.000 0.452 231 A N 2.488 125.357 122.820 0.082 0.000 2.556 231 A HA 0.907 5.227 4.320 0.000 0.000 0.294 231 A C -0.717 176.948 177.584 0.134 0.000 1.091 231 A CA -0.850 51.257 52.037 0.117 0.000 0.704 231 A CB 1.961 21.035 19.000 0.122 0.000 1.300 231 A HN 1.218 nan 8.150 nan 0.000 0.406 232 K N 1.031 121.453 120.400 0.036 0.000 2.435 232 K HA 0.730 5.050 4.320 0.000 0.000 0.251 232 K C -1.167 175.327 176.600 -0.177 0.000 0.954 232 K CA -0.802 55.483 56.287 -0.004 0.000 0.820 232 K CB 1.528 34.016 32.500 -0.020 0.000 1.292 232 K HN 0.380 nan 8.250 nan 0.000 0.436 233 I N 3.111 123.448 120.570 -0.388 0.000 2.416 233 I HA 0.026 4.196 4.170 0.000 0.000 0.288 233 I C 1.275 177.150 176.117 -0.403 0.000 1.051 233 I CA -0.167 60.751 61.300 -0.636 0.000 1.375 233 I CB 0.916 38.014 38.000 -1.503 0.000 1.407 233 I HN 1.029 nan 8.210 nan 0.000 0.516 234 T N 0.510 114.881 114.554 -0.305 0.000 3.014 234 T HA 0.153 4.503 4.350 0.000 0.000 0.250 234 T C 0.313 174.935 174.700 -0.130 0.000 1.060 234 T CA -0.001 61.988 62.100 -0.184 0.000 1.040 234 T CB 0.300 69.064 68.868 -0.173 0.000 0.971 234 T HN 0.521 nan 8.240 nan 0.000 0.497 235 D N -0.874 119.432 120.400 -0.157 0.000 2.655 235 D HA 0.530 5.171 4.640 0.000 0.000 0.229 235 D C -0.337 175.981 176.300 0.029 0.000 1.229 235 D CA 0.869 54.840 54.000 -0.049 0.000 0.807 235 D CB 1.594 42.403 40.800 0.014 0.000 1.514 235 D HN 0.535 nan 8.370 nan 0.000 0.444 236 G N 0.525 109.377 108.800 0.086 0.000 2.721 236 G HA2 -0.033 3.927 3.960 0.000 0.000 0.686 236 G HA3 -0.033 3.927 3.960 0.000 0.000 0.686 236 G C -1.330 173.691 174.900 0.201 0.000 1.236 236 G CA -0.740 44.465 45.100 0.174 0.000 0.786 236 G HN 0.266 nan 8.290 nan 0.000 0.616 237 Y N 0.839 121.276 120.300 0.228 0.000 2.432 237 Y HA 0.621 5.171 4.550 0.000 0.000 0.322 237 Y C 0.991 176.840 175.900 -0.084 0.000 1.246 237 Y CA -0.747 57.356 58.100 0.004 0.000 1.268 237 Y CB 1.381 39.791 38.460 -0.082 0.000 1.276 237 Y HN 1.014 nan 8.280 nan 0.000 0.499 238 N N -0.619 117.906 118.700 -0.291 0.000 2.518 238 N HA 0.238 4.979 4.740 0.000 0.000 0.284 238 N C 0.298 175.770 175.510 -0.062 0.000 1.230 238 N CA -0.590 52.235 53.050 -0.375 0.000 0.941 238 N CB 0.606 38.485 38.487 -1.013 0.000 1.219 238 N HN 0.519 nan 8.380 nan 0.000 0.560 239 I N -0.062 120.467 120.570 -0.069 0.000 2.454 239 I HA 0.048 4.218 4.170 0.000 0.000 0.254 239 I C 1.865 177.793 176.117 -0.316 0.000 1.156 239 I CA 1.339 62.601 61.300 -0.063 0.000 1.433 239 I CB -0.961 37.007 38.000 -0.053 0.000 1.082 239 I HN 0.823 nan 8.210 nan 0.000 0.432 240 G N -0.878 107.611 108.800 -0.518 0.000 2.440 240 G HA2 -0.382 3.578 3.960 0.000 0.000 0.218 240 G HA3 -0.382 3.578 3.960 0.000 0.000 0.218 240 G C 1.656 176.179 174.900 -0.628 0.000 1.154 240 G CA 1.226 45.572 45.100 -1.257 0.000 0.767 240 G HN 0.576 nan 8.290 nan 0.000 0.552 241 H N -0.418 118.391 119.070 -0.435 0.000 2.353 241 H HA -0.162 4.395 4.556 0.000 0.000 0.298 241 H C 2.171 177.171 175.328 -0.546 0.000 1.103 241 H CA 2.033 57.781 56.048 -0.500 0.000 1.293 241 H CB -0.275 29.025 29.762 -0.771 0.000 1.372 241 H HN 0.468 nan 8.280 nan 0.000 0.501 242 Y N -0.415 119.636 120.300 -0.414 0.000 2.286 242 Y HA -0.023 4.527 4.550 0.000 0.000 0.293 242 Y C 2.540 178.200 175.900 -0.399 0.000 1.124 242 Y CA 0.845 58.717 58.100 -0.380 0.000 1.178 242 Y CB -0.085 38.250 38.460 -0.208 0.000 1.010 242 Y HN 0.148 nan 8.280 nan 0.000 0.536 243 L N -1.028 119.978 121.223 -0.362 0.000 2.027 243 L HA -0.215 4.125 4.340 0.000 0.000 0.206 243 L C 2.336 179.050 176.870 -0.259 0.000 1.074 243 L CA 1.631 56.216 54.840 -0.424 0.000 0.745 243 L CB -0.917 40.650 42.059 -0.819 0.000 0.898 243 L HN 0.163 nan 8.230 nan 0.000 0.433 244 T N -1.160 113.288 114.554 -0.176 0.000 2.684 244 T HA -0.257 4.093 4.350 0.000 0.000 0.267 244 T C 1.909 176.538 174.700 -0.118 0.000 1.036 244 T CA 1.282 63.442 62.100 0.100 0.000 1.148 244 T CB -0.194 68.759 68.868 0.143 0.000 0.863 244 T HN 0.267 nan 8.240 nan 0.000 0.436 245 Q N 0.883 120.496 119.800 -0.310 0.000 2.170 245 Q HA -0.086 4.254 4.340 0.000 0.000 0.203 245 Q C 2.036 177.879 176.000 -0.261 0.000 0.976 245 Q CA 1.453 57.067 55.803 -0.315 0.000 0.858 245 Q CB -0.141 28.305 28.738 -0.487 0.000 0.907 245 Q HN 0.443 nan 8.270 nan 0.000 0.433 246 K N -1.214 119.018 120.400 -0.280 0.000 2.426 246 K HA 0.047 4.368 4.320 0.000 0.000 0.193 246 K C 0.543 176.905 176.600 -0.396 0.000 1.028 246 K CA 0.725 56.859 56.287 -0.255 0.000 1.047 246 K CB 0.059 32.452 32.500 -0.178 0.000 0.821 246 K HN 0.324 nan 8.250 nan 0.000 0.513 247 G N 1.645 110.016 108.800 -0.714 0.000 2.225 247 G HA2 -0.245 3.716 3.960 0.000 0.000 0.264 247 G HA3 -0.245 3.716 3.960 0.000 0.000 0.264 247 G C -0.165 174.139 174.900 -0.994 0.000 1.060 247 G CA 0.216 44.418 45.100 -1.497 0.000 0.833 247 G HN 0.282 nan 8.290 nan 0.000 0.498 248 I N 1.970 122.221 120.570 -0.531 0.000 2.315 248 I HA 0.275 4.446 4.170 0.000 0.000 0.291 248 I C 1.303 177.554 176.117 0.222 0.000 1.006 248 I CA -0.332 60.867 61.300 -0.168 0.000 1.265 248 I CB 1.250 39.085 38.000 -0.275 0.000 1.387 248 I HN 0.293 nan 8.210 nan 0.000 0.475 249 T N 4.537 119.295 114.554 0.340 0.000 2.902 249 T HA 0.136 4.487 4.350 0.000 0.000 0.301 249 T C -0.576 174.379 174.700 0.426 0.000 1.012 249 T CA -0.389 61.993 62.100 0.470 0.000 1.151 249 T CB 0.362 69.407 68.868 0.295 0.000 0.946 249 T HN 0.735 nan 8.240 nan 0.000 0.542 250 W N 0.634 122.096 121.300 0.270 0.000 3.146 250 W HA 0.631 5.291 4.660 0.000 0.000 0.319 250 W C -1.025 175.697 176.519 0.339 0.000 1.258 250 W CA -1.328 56.137 57.345 0.201 0.000 1.189 250 W CB 1.244 30.702 29.460 -0.004 0.000 1.412 250 W HN 1.117 nan 8.180 nan 0.000 0.567 251 G N 0.522 109.537 108.800 0.358 0.000 2.646 251 G HA2 0.449 4.410 3.960 0.000 0.000 0.291 251 G HA3 0.449 4.410 3.960 0.000 0.000 0.291 251 G C -2.619 172.356 174.900 0.126 0.000 1.445 251 G CA -0.854 44.159 45.100 -0.145 0.000 0.814 251 G HN 0.705 nan 8.290 nan 0.000 0.495 252 W N 2.052 123.158 121.300 -0.324 0.000 2.349 252 W HA 0.706 5.366 4.660 0.000 0.000 0.309 252 W C -2.014 174.320 176.519 -0.308 0.000 1.083 252 W CA -1.286 56.054 57.345 -0.007 0.000 1.224 252 W CB 1.172 30.712 29.460 0.134 0.000 1.256 252 W HN 0.254 nan 8.180 nan 0.000 0.461 253 F N 4.815 124.663 119.950 -0.170 0.000 2.460 253 F HA 0.285 4.813 4.527 0.000 0.000 0.341 253 F C 0.208 175.919 175.800 -0.148 0.000 1.130 253 F CA -0.683 57.270 58.000 -0.079 0.000 0.962 253 F CB 1.743 40.693 39.000 -0.084 0.000 1.171 253 F HN 0.276 nan 8.300 nan 0.000 0.436 254 Q N 1.899 121.825 119.800 0.210 0.000 2.372 254 Q HA 0.620 4.960 4.340 0.000 0.000 0.273 254 Q C -0.215 176.013 176.000 0.379 0.000 1.078 254 Q CA -0.956 55.021 55.803 0.290 0.000 0.806 254 Q CB 2.298 31.384 28.738 0.580 0.000 1.332 254 Q HN 0.854 nan 8.270 nan 0.000 0.435 255 G N 0.529 109.493 108.800 0.273 0.000 2.380 255 G HA2 0.376 4.336 3.960 0.000 0.000 0.242 255 G HA3 0.376 4.336 3.960 0.000 0.000 0.242 255 G C 0.867 175.999 174.900 0.386 0.000 1.298 255 G CA 0.456 45.725 45.100 0.282 0.000 0.878 255 G HN 1.194 nan 8.290 nan 0.000 0.542 256 G N 1.580 110.586 108.800 0.344 0.000 2.179 256 G HA2 -0.352 3.609 3.960 0.000 0.000 0.260 256 G HA3 -0.352 3.609 3.960 0.000 0.000 0.260 256 G C 1.096 176.129 174.900 0.223 0.000 0.977 256 G CA 0.902 46.185 45.100 0.304 0.000 0.641 256 G HN 0.861 nan 8.290 nan 0.000 0.533 257 F N 1.332 121.364 119.950 0.137 0.000 2.171 257 F HA 0.149 4.677 4.527 0.000 0.000 0.300 257 F C 1.696 177.532 175.800 0.061 0.000 1.090 257 F CA 1.788 59.736 58.000 -0.087 0.000 1.293 257 F CB 0.078 39.110 39.000 0.053 0.000 1.013 257 F HN 0.176 nan 8.300 nan 0.000 0.486 258 K N 2.562 123.120 120.400 0.262 0.000 2.419 258 K HA 0.065 4.386 4.320 0.000 0.000 0.282 258 K C -2.444 174.164 176.600 0.013 0.000 1.056 258 K CA -1.653 54.742 56.287 0.180 0.000 1.035 258 K CB 0.212 32.840 32.500 0.213 0.000 0.921 258 K HN -0.033 nan 8.250 nan 0.000 0.472 259 P HA -0.027 nan 4.420 nan 0.000 0.269 259 P C 0.244 177.488 177.300 -0.094 0.000 1.209 259 P CA -0.115 62.843 63.100 -0.236 0.000 0.776 259 P CB 0.881 32.285 31.700 -0.492 0.000 0.876 260 T N -1.983 112.507 114.554 -0.105 0.000 3.067 260 T HA 0.127 4.477 4.350 0.000 0.000 0.261 260 T C 0.617 175.304 174.700 -0.022 0.000 1.110 260 T CA 0.502 62.581 62.100 -0.035 0.000 1.113 260 T CB -0.314 68.536 68.868 -0.030 0.000 0.917 260 T HN 0.576 nan 8.240 nan 0.000 0.499 261 S N -0.839 114.817 115.700 -0.073 0.000 2.611 261 S HA 0.626 5.096 4.470 0.000 0.000 0.268 261 S C -2.163 172.382 174.600 -0.091 0.000 1.156 261 S CA -1.222 56.974 58.200 -0.008 0.000 0.817 261 S CB 0.900 64.096 63.200 -0.006 0.000 1.122 261 S HN 0.186 nan 8.310 nan 0.000 0.466 262 Y N 0.571 120.849 120.300 -0.036 0.000 2.391 262 Y HA 0.686 5.236 4.550 0.001 0.000 0.341 262 Y C 0.240 176.118 175.900 -0.038 0.000 0.965 262 Y CA -0.485 57.590 58.100 -0.041 0.000 1.067 262 Y CB 2.415 40.852 38.460 -0.038 0.000 1.199 262 Y HN 0.797 nan 8.280 nan 0.000 0.450 263 S N 3.298 119.046 115.700 0.080 0.000 2.466 263 S HA 0.554 5.024 4.470 0.000 0.000 0.313 263 S C 0.628 175.257 174.600 0.048 0.000 1.078 263 S CA 0.356 58.581 58.200 0.041 0.000 1.115 263 S CB -0.723 62.475 63.200 -0.002 0.000 1.006 263 S HN 1.201 nan 8.310 nan 0.000 0.487 264 G N 3.914 112.740 108.800 0.043 0.000 2.591 264 G HA2 -0.349 3.612 3.960 0.000 0.000 0.298 264 G HA3 -0.349 3.612 3.960 0.000 0.000 0.298 264 G C 0.803 175.726 174.900 0.039 0.000 1.195 264 G CA 0.633 45.743 45.100 0.016 0.000 0.989 264 G HN 1.378 nan 8.290 nan 0.000 0.551 265 K N -0.213 120.184 120.400 -0.005 0.000 2.404 265 K HA 0.588 4.908 4.320 0.000 0.000 0.194 265 K C 1.193 177.829 176.600 0.059 0.000 1.023 265 K CA 1.726 57.980 56.287 -0.054 0.000 1.094 265 K CB -0.110 32.255 32.500 -0.226 0.000 0.841 265 K HN 1.007 nan 8.250 nan 0.000 0.523 266 T N 2.150 116.771 114.554 0.113 0.000 2.761 266 T HA 0.526 4.876 4.350 0.000 0.000 0.296 266 T C 0.327 175.005 174.700 -0.037 0.000 0.934 266 T CA -0.034 62.130 62.100 0.107 0.000 1.091 266 T CB 1.082 69.967 68.868 0.029 0.000 0.896 266 T HN 0.521 nan 8.240 nan 0.000 0.515 267 A N 4.533 127.218 122.820 -0.225 0.000 2.425 267 A HA 0.540 4.860 4.320 0.000 0.000 0.249 267 A C 0.065 177.334 177.584 -0.525 0.000 1.084 267 A CA -0.454 51.094 52.037 -0.813 0.000 0.781 267 A CB 0.055 18.562 19.000 -0.821 0.000 1.019 267 A HN 0.733 nan 8.150 nan 0.000 0.490 268 I N 1.809 122.062 120.570 -0.528 0.000 2.382 268 I HA 0.201 4.372 4.170 0.000 0.000 0.286 268 I C -0.660 175.267 176.117 -0.316 0.000 1.002 268 I CA -0.304 60.808 61.300 -0.314 0.000 1.135 268 I CB 0.969 38.858 38.000 -0.186 0.000 1.288 268 I HN 0.553 nan 8.210 nan 0.000 0.448 269 c N 4.753 123.190 118.600 -0.272 0.000 2.250 269 c HA 0.284 4.855 4.570 0.000 0.000 0.380 269 c C 1.050 175.096 174.090 -0.073 0.000 1.075 269 c CA -0.535 55.667 56.329 -0.213 0.000 1.577 269 c CB -1.137 41.216 42.510 -0.261 0.000 1.608 269 c HN 0.626 nan 8.230 nan 0.000 0.477 270 D N 1.179 121.541 120.400 -0.063 0.000 2.363 270 D HA 0.170 4.810 4.640 0.000 0.000 0.214 270 D C 1.233 177.529 176.300 -0.006 0.000 1.093 270 D CA 0.233 54.215 54.000 -0.029 0.000 0.837 270 D CB 0.311 41.090 40.800 -0.035 0.000 0.948 270 D HN 0.630 nan 8.370 nan 0.000 0.507 271 A N 0.912 123.738 122.820 0.010 0.000 2.565 271 A HA 0.274 4.594 4.320 0.000 0.000 0.237 271 A C 0.366 177.966 177.584 0.027 0.000 1.053 271 A CA 0.504 52.559 52.037 0.030 0.000 0.755 271 A CB 0.115 19.154 19.000 0.064 0.000 0.980 271 A HN 0.089 nan 8.150 nan 0.000 0.506 272 M N 1.419 121.020 119.600 0.003 0.000 2.550 272 M HA 0.484 4.964 4.480 0.000 0.000 0.292 272 M C -0.595 175.660 176.300 -0.076 0.000 1.221 272 M CA -0.268 55.018 55.300 -0.023 0.000 0.873 272 M CB 2.335 34.919 32.600 -0.027 0.000 1.727 272 M HN 0.662 nan 8.290 nan 0.000 0.459 273 S N 0.190 115.802 115.700 -0.146 0.000 2.627 273 S HA 0.711 5.181 4.470 0.000 0.000 0.283 273 S C -0.800 173.625 174.600 -0.291 0.000 1.127 273 S CA -0.661 57.321 58.200 -0.363 0.000 0.863 273 S CB 2.404 65.051 63.200 -0.921 0.000 1.121 273 S HN 0.627 nan 8.310 nan 0.000 0.479 274 T N 3.126 117.498 114.554 -0.303 0.000 2.779 274 T HA 0.417 4.768 4.350 0.000 0.000 0.280 274 T C 0.222 174.887 174.700 -0.058 0.000 0.987 274 T CA -0.871 61.162 62.100 -0.112 0.000 0.966 274 T CB 0.604 69.438 68.868 -0.057 0.000 0.933 274 T HN 0.718 nan 8.240 nan 0.000 0.442 275 N N 2.435 121.209 118.700 0.123 0.000 2.322 275 N HA 0.161 4.901 4.740 0.000 0.000 0.270 275 N C 0.806 176.393 175.510 0.127 0.000 1.286 275 N CA -0.504 52.704 53.050 0.264 0.000 0.948 275 N CB 0.545 39.238 38.487 0.343 0.000 1.164 275 N HN 0.382 nan 8.380 nan 0.000 0.551 276 K N -1.271 119.155 120.400 0.044 0.000 2.362 276 K HA 0.040 4.360 4.320 0.000 0.000 0.200 276 K C 0.285 176.684 176.600 -0.334 0.000 1.046 276 K CA 0.961 57.136 56.287 -0.187 0.000 0.952 276 K CB -0.304 31.992 32.500 -0.339 0.000 0.753 276 K HN 0.419 nan 8.250 nan 0.000 0.466 277 F N -0.224 119.763 119.950 0.061 0.000 2.660 277 F HA 0.228 4.755 4.527 0.001 0.000 0.302 277 F C 1.350 177.183 175.800 0.055 0.000 1.103 277 F CA 0.027 58.058 58.000 0.052 0.000 1.340 277 F CB 0.670 39.694 39.000 0.041 0.000 1.048 277 F HN 0.105 nan 8.300 nan 0.000 0.551 278 G N 0.146 109.041 108.800 0.158 0.000 2.179 278 G HA2 -0.274 3.686 3.960 0.000 0.000 0.260 278 G HA3 -0.274 3.686 3.960 0.000 0.000 0.260 278 G C 0.095 175.066 174.900 0.118 0.000 0.977 278 G CA 0.148 45.316 45.100 0.114 0.000 0.641 278 G HN 0.140 nan 8.290 nan 0.000 0.533 279 V N 1.386 121.397 119.914 0.162 0.000 2.427 279 V HA 0.484 4.605 4.120 0.000 0.000 0.268 279 V C 0.822 176.990 176.094 0.125 0.000 1.046 279 V CA 0.176 62.565 62.300 0.150 0.000 0.970 279 V CB 1.234 33.171 31.823 0.191 0.000 1.001 279 V HN 0.365 nan 8.190 nan 0.000 0.476 280 K N 3.951 124.398 120.400 0.079 0.000 2.172 280 K HA 0.677 4.997 4.320 0.000 0.000 0.276 280 K C 0.037 176.659 176.600 0.037 0.000 1.013 280 K CA -0.011 56.300 56.287 0.038 0.000 0.913 280 K CB 1.472 33.979 32.500 0.013 0.000 1.055 280 K HN 1.154 nan 8.250 nan 0.000 0.461 281 S N 2.104 117.812 115.700 0.014 0.000 2.596 281 S HA 0.492 4.962 4.470 0.000 0.000 0.270 281 S C -0.603 173.968 174.600 -0.048 0.000 1.155 281 S CA -1.258 56.918 58.200 -0.039 0.000 0.827 281 S CB 0.799 63.940 63.200 -0.098 0.000 1.130 281 S HN 0.881 nan 8.310 nan 0.000 0.467 282 R N 0.835 121.285 120.500 -0.083 0.000 2.502 282 R HA 0.171 4.511 4.340 0.000 0.000 0.292 282 R C -0.602 175.694 176.300 -0.007 0.000 0.998 282 R CA -0.040 56.034 56.100 -0.043 0.000 1.056 282 R CB -0.249 30.011 30.300 -0.066 0.000 0.939 282 R HN 0.572 nan 8.270 nan 0.000 0.411 283 D N 1.371 121.817 120.400 0.077 0.000 2.117 283 D HA -0.159 4.482 4.640 0.000 0.000 0.197 283 D C -0.080 176.332 176.300 0.188 0.000 0.987 283 D CA 1.408 55.502 54.000 0.155 0.000 0.829 283 D CB -0.163 40.752 40.800 0.192 0.000 0.961 283 D HN 0.547 nan 8.370 nan 0.000 0.460 284 Y N 0.626 120.956 120.300 0.050 0.000 2.313 284 Y HA 0.388 4.938 4.550 0.001 0.000 0.332 284 Y C -0.302 175.598 175.900 -0.000 0.000 1.071 284 Y CA -0.768 57.380 58.100 0.081 0.000 1.169 284 Y CB 0.513 39.033 38.460 0.100 0.000 1.192 284 Y HN -0.205 nan 8.280 nan 0.000 0.487 285 I N 9.789 129.988 120.570 -0.619 0.000 2.464 285 I HA 0.231 4.401 4.170 0.000 0.000 0.277 285 I C -1.958 173.647 176.117 -0.853 0.000 1.040 285 I CA -1.978 58.919 61.300 -0.671 0.000 1.153 285 I CB 1.675 39.214 38.000 -0.768 0.000 1.274 285 I HN 0.519 nan 8.210 nan 0.000 0.469 286 P HA -0.221 nan 4.420 nan 0.000 0.216 286 P C 1.365 178.587 177.300 -0.130 0.000 1.153 286 P CA 1.544 64.421 63.100 -0.373 0.000 0.858 286 P CB -0.153 31.495 31.700 -0.087 0.000 0.789 287 H N -2.290 116.724 119.070 -0.093 0.000 2.563 287 H HA 0.005 4.561 4.556 0.001 0.000 0.272 287 H C 0.788 176.301 175.328 0.309 0.000 1.005 287 H CA 0.772 56.911 56.048 0.152 0.000 1.171 287 H CB -1.258 28.579 29.762 0.126 0.000 1.351 287 H HN 0.395 nan 8.280 nan 0.000 0.602 288 H N -0.169 118.776 119.070 -0.208 0.000 2.551 288 H HA 0.144 4.701 4.556 0.000 0.000 0.271 288 H C 0.071 175.451 175.328 0.086 0.000 0.984 288 H CA -0.237 55.802 56.048 -0.014 0.000 1.164 288 H CB 0.974 30.729 29.762 -0.010 0.000 1.437 288 H HN 0.173 nan 8.280 nan 0.000 0.550 289 E N 2.339 122.606 120.200 0.112 0.000 2.103 289 E HA 0.089 4.439 4.350 0.000 0.000 0.254 289 E C -1.877 174.633 176.600 -0.149 0.000 0.940 289 E CA -2.181 54.117 56.400 -0.169 0.000 0.771 289 E CB 1.194 30.958 29.700 0.108 0.000 1.153 289 E HN 0.318 nan 8.360 nan 0.000 0.428 290 P HA -0.077 nan 4.420 nan 0.000 0.219 290 P C 1.180 178.488 177.300 0.012 0.000 1.150 290 P CA 0.664 63.634 63.100 -0.217 0.000 0.814 290 P CB 0.016 31.363 31.700 -0.589 0.000 0.787 291 F N 0.797 120.707 119.950 -0.068 0.000 2.333 291 F HA -0.062 4.465 4.527 0.001 0.000 0.300 291 F C 1.889 177.838 175.800 0.249 0.000 1.083 291 F CA 0.957 59.022 58.000 0.108 0.000 1.395 291 F CB -1.405 37.598 39.000 0.005 0.000 1.056 291 F HN -0.061 nan 8.300 nan 0.000 0.529 292 N N -1.194 117.692 118.700 0.310 0.000 2.521 292 N HA -0.088 4.652 4.740 0.000 0.000 0.188 292 N C 1.079 176.711 175.510 0.203 0.000 1.146 292 N CA 0.533 53.718 53.050 0.225 0.000 0.893 292 N CB -0.406 38.158 38.487 0.128 0.000 0.975 292 N HN 0.336 nan 8.380 nan 0.000 0.451 293 Y N -1.467 118.985 120.300 0.252 0.000 2.517 293 Y HA 0.102 4.652 4.550 0.000 0.000 0.281 293 Y C 0.713 176.656 175.900 0.071 0.000 1.125 293 Y CA 0.083 58.245 58.100 0.102 0.000 1.283 293 Y CB 0.321 38.683 38.460 -0.164 0.000 1.042 293 Y HN 0.023 nan 8.280 nan 0.000 0.547 294 W N 1.439 122.872 121.300 0.222 0.000 2.429 294 W HA 0.207 4.868 4.660 0.001 0.000 0.314 294 W C 1.130 177.581 176.519 -0.113 0.000 1.062 294 W CA -1.254 56.146 57.345 0.092 0.000 1.211 294 W CB 1.292 30.816 29.460 0.107 0.000 1.305 294 W HN -0.044 nan 8.180 nan 0.000 0.476 295 K N 1.534 121.775 120.400 -0.266 0.000 2.059 295 K HA -0.284 4.037 4.320 0.000 0.000 0.212 295 K C 1.773 178.231 176.600 -0.238 0.000 1.050 295 K CA 2.121 57.931 56.287 -0.796 0.000 0.927 295 K CB -0.029 31.998 32.500 -0.789 0.000 0.714 295 K HN 0.493 nan 8.250 nan 0.000 0.447 296 E N -0.304 119.896 120.200 0.001 0.000 2.130 296 E HA -0.177 4.174 4.350 0.000 0.000 0.196 296 E C 1.017 177.671 176.600 0.090 0.000 0.998 296 E CA 1.805 58.246 56.400 0.068 0.000 0.806 296 E CB 0.008 29.794 29.700 0.142 0.000 0.738 296 E HN 0.529 nan 8.360 nan 0.000 0.459 297 T N -1.229 113.420 114.554 0.158 0.000 3.176 297 T HA 0.155 4.506 4.350 0.000 0.000 0.263 297 T C 0.479 175.279 174.700 0.166 0.000 1.021 297 T CA -0.014 62.202 62.100 0.194 0.000 0.905 297 T CB 0.265 69.311 68.868 0.297 0.000 1.057 297 T HN 0.098 nan 8.240 nan 0.000 0.558 298 S N 1.371 117.124 115.700 0.087 0.000 2.646 298 S HA 0.562 5.033 4.470 0.000 0.000 0.276 298 S C -0.229 174.369 174.600 -0.004 0.000 1.222 298 S CA -0.844 57.395 58.200 0.064 0.000 1.014 298 S CB 1.213 64.434 63.200 0.035 0.000 0.991 298 S HN 0.231 nan 8.310 nan 0.000 0.533 299 N N 1.591 120.301 118.700 0.016 0.000 2.791 299 N HA 0.362 5.102 4.740 0.000 0.000 0.265 299 N C -1.993 173.528 175.510 0.019 0.000 1.580 299 N CA -2.267 50.793 53.050 0.017 0.000 0.809 299 N CB 1.188 39.705 38.487 0.051 0.000 1.178 299 N HN 0.358 nan 8.380 nan 0.000 0.499 300 P HA -0.096 nan 4.420 nan 0.000 0.218 300 P C 0.349 177.592 177.300 -0.095 0.000 1.149 300 P CA 1.266 64.203 63.100 -0.271 0.000 0.817 300 P CB 0.208 31.349 31.700 -0.931 0.000 0.785 301 H N -2.108 117.064 119.070 0.170 0.000 2.526 301 H HA 0.102 4.658 4.556 0.000 0.000 0.274 301 H C 0.101 175.589 175.328 0.266 0.000 0.999 301 H CA 0.071 56.254 56.048 0.225 0.000 1.157 301 H CB -0.872 29.044 29.762 0.256 0.000 1.407 301 H HN 0.255 nan 8.280 nan 0.000 0.568 302 H N -0.636 118.446 119.070 0.021 0.000 2.713 302 H HA -0.143 4.413 4.556 0.000 0.000 0.311 302 H C -0.032 175.419 175.328 0.204 0.000 1.175 302 H CA 0.105 56.091 56.048 -0.103 0.000 1.143 302 H CB -2.423 26.975 29.762 -0.607 0.000 1.434 302 H HN 0.304 nan 8.280 nan 0.000 0.418 303 L N -0.290 121.128 121.223 0.325 0.000 2.456 303 L HA 0.305 4.646 4.340 0.000 0.000 0.272 303 L C 1.372 178.375 176.870 0.221 0.000 1.189 303 L CA 0.268 55.258 54.840 0.248 0.000 0.846 303 L CB 0.522 42.675 42.059 0.157 0.000 1.111 303 L HN 0.454 nan 8.230 nan 0.000 0.475 304 A N 4.761 127.693 122.820 0.188 0.000 2.366 304 A HA 0.470 4.790 4.320 0.000 0.000 0.249 304 A C -2.223 175.435 177.584 0.123 0.000 1.084 304 A CA -1.218 50.926 52.037 0.180 0.000 0.794 304 A CB -0.382 18.705 19.000 0.144 0.000 1.034 304 A HN 0.480 nan 8.150 nan 0.000 0.491 305 P HA 0.009 nan 4.420 nan 0.000 0.266 305 P C 0.983 178.293 177.300 0.016 0.000 1.193 305 P CA 0.701 63.860 63.100 0.099 0.000 0.770 305 P CB 0.615 32.377 31.700 0.102 0.000 0.836 306 S N 0.584 116.241 115.700 -0.071 0.000 2.399 306 S HA -0.135 4.336 4.470 0.000 0.000 0.231 306 S C 0.439 174.990 174.600 -0.081 0.000 1.022 306 S CA 1.291 59.403 58.200 -0.147 0.000 0.983 306 S CB -0.517 62.462 63.200 -0.369 0.000 0.803 306 S HN 0.637 nan 8.310 nan 0.000 0.480 307 D N -1.806 118.595 120.400 0.002 0.000 2.683 307 D HA 0.306 4.947 4.640 0.000 0.000 0.246 307 D C -0.698 175.655 176.300 0.088 0.000 1.238 307 D CA -0.479 53.561 54.000 0.067 0.000 0.759 307 D CB 0.907 41.781 40.800 0.124 0.000 1.349 307 D HN -0.221 nan 8.370 nan 0.000 0.426 308 D N 0.588 121.018 120.400 0.051 0.000 2.158 308 D HA -0.139 4.501 4.640 0.000 0.000 0.197 308 D C 1.315 177.616 176.300 0.002 0.000 0.995 308 D CA 1.109 55.117 54.000 0.014 0.000 0.846 308 D CB 0.149 40.952 40.800 0.005 0.000 0.941 308 D HN 0.351 nan 8.370 nan 0.000 0.456 309 K N -0.589 119.830 120.400 0.032 0.000 2.280 309 K HA -0.137 4.183 4.320 0.000 0.000 0.202 309 K C 1.352 177.877 176.600 -0.126 0.000 1.047 309 K CA 0.685 56.951 56.287 -0.035 0.000 0.942 309 K CB -0.082 32.402 32.500 -0.026 0.000 0.739 309 K HN 0.293 nan 8.250 nan 0.000 0.457 310 Y N 0.536 120.778 120.300 -0.097 0.000 2.466 310 Y HA 0.152 4.702 4.550 0.000 0.000 0.272 310 Y C 0.529 176.318 175.900 -0.186 0.000 1.169 310 Y CA -0.325 57.690 58.100 -0.143 0.000 1.285 310 Y CB 0.114 38.492 38.460 -0.136 0.000 1.078 310 Y HN -0.104 nan 8.280 nan 0.000 0.523 311 I N 0.349 120.866 120.570 -0.088 0.000 2.668 311 I HA 0.006 4.177 4.170 0.000 0.000 0.285 311 I C 1.438 177.451 176.117 -0.173 0.000 1.168 311 I CA 1.405 62.546 61.300 -0.265 0.000 1.424 311 I CB 0.034 37.843 38.000 -0.319 0.000 1.377 311 I HN 0.497 nan 8.210 nan 0.000 0.560 312 G N 3.582 112.302 108.800 -0.133 0.000 2.258 312 G HA2 -0.253 3.707 3.960 0.000 0.000 0.233 312 G HA3 -0.253 3.707 3.960 0.000 0.000 0.233 312 G C 0.440 175.271 174.900 -0.115 0.000 1.006 312 G CA 0.224 45.331 45.100 0.012 0.000 0.620 312 G HN 0.553 nan 8.290 nan 0.000 0.511 313 S N -0.063 115.404 115.700 -0.388 0.000 2.623 313 S HA 0.625 5.095 4.470 0.000 0.000 0.278 313 S C 0.051 174.103 174.600 -0.914 0.000 1.148 313 S CA -0.472 57.190 58.200 -0.898 0.000 1.028 313 S CB 0.710 63.492 63.200 -0.697 0.000 1.145 313 S HN 0.344 nan 8.310 nan 0.000 0.523 314 N N 2.281 120.502 118.700 -0.799 0.000 2.419 314 N HA 0.462 5.202 4.740 0.000 0.000 0.264 314 N C -0.919 174.488 175.510 -0.172 0.000 1.031 314 N CA -0.158 52.674 53.050 -0.363 0.000 0.951 314 N CB 0.526 38.954 38.487 -0.098 0.000 1.101 314 N HN 0.678 nan 8.380 nan 0.000 0.488 315 D N -0.789 119.479 120.400 -0.220 0.000 2.992 315 D HA -0.025 4.615 4.640 0.000 0.000 0.349 315 D C 0.643 176.845 176.300 -0.163 0.000 1.393 315 D CA -0.456 53.428 54.000 -0.194 0.000 0.887 315 D CB 0.069 40.697 40.800 -0.287 0.000 1.447 315 D HN 0.345 nan 8.370 nan 0.000 0.524 316 Q N -0.327 119.394 119.800 -0.131 0.000 2.248 316 Q HA -0.162 4.179 4.340 0.000 0.000 0.208 316 Q C 1.661 177.614 176.000 -0.078 0.000 0.984 316 Q CA 2.168 57.926 55.803 -0.074 0.000 0.875 316 Q CB -0.562 28.149 28.738 -0.044 0.000 0.910 316 Q HN 0.463 nan 8.270 nan 0.000 0.433 317 A N 1.742 124.488 122.820 -0.123 0.000 2.067 317 A HA -0.178 4.143 4.320 0.000 0.000 0.219 317 A C 1.049 178.420 177.584 -0.355 0.000 1.158 317 A CA 0.860 52.781 52.037 -0.193 0.000 0.661 317 A CB -0.624 18.270 19.000 -0.176 0.000 0.801 317 A HN 0.652 nan 8.150 nan 0.000 0.452 318 N N -0.452 118.047 118.700 -0.335 0.000 2.716 318 N HA -0.257 4.484 4.740 0.000 0.000 0.250 318 N C 0.052 175.278 175.510 -0.473 0.000 1.033 318 N CA 1.253 54.135 53.050 -0.281 0.000 0.727 318 N CB -2.020 36.402 38.487 -0.108 0.000 0.950 318 N HN 0.750 nan 8.380 nan 0.000 0.541 319 H N -3.669 114.860 119.070 -0.902 0.000 3.211 319 H HA -0.201 4.355 4.556 0.000 0.000 0.240 319 H C -0.707 173.646 175.328 -1.625 0.000 1.148 319 H CA 1.462 56.660 56.048 -1.418 0.000 1.160 319 H CB -1.121 27.413 29.762 -2.047 0.000 1.232 319 H HN 0.489 nan 8.280 nan 0.000 0.321 320 Q N 0.350 119.342 119.800 -1.347 0.000 2.325 320 Q HA 0.548 4.889 4.340 0.000 0.000 0.262 320 Q C -0.316 174.778 176.000 -1.510 0.000 0.968 320 Q CA -0.160 54.958 55.803 -1.142 0.000 0.877 320 Q CB 1.276 29.646 28.738 -0.614 0.000 1.253 320 Q HN 0.326 nan 8.270 nan 0.000 0.448 321 Y N -0.461 119.211 120.300 -1.047 0.000 2.553 321 Y HA 0.235 4.785 4.550 0.000 0.000 0.347 321 Y C 0.109 175.749 175.900 -0.434 0.000 1.019 321 Y CA -1.426 56.262 58.100 -0.687 0.000 1.032 321 Y CB 1.778 39.930 38.460 -0.514 0.000 1.284 321 Y HN 0.462 nan 8.280 nan 0.000 0.466 322 D N 1.018 121.569 120.400 0.251 0.000 2.423 322 D HA -0.015 4.625 4.640 0.000 0.000 0.238 322 D C 1.000 177.539 176.300 0.400 0.000 1.142 322 D CA 0.145 54.384 54.000 0.397 0.000 0.884 322 D CB 0.911 41.953 40.800 0.403 0.000 1.199 322 D HN 0.537 nan 8.370 nan 0.000 0.438 323 I N 2.695 123.499 120.570 0.390 0.000 2.315 323 I HA -0.286 3.885 4.170 0.000 0.000 0.251 323 I C 2.042 178.347 176.117 0.315 0.000 1.125 323 I CA 1.954 63.475 61.300 0.369 0.000 1.392 323 I CB -0.573 37.671 38.000 0.406 0.000 1.065 323 I HN 0.578 nan 8.210 nan 0.000 0.424 324 S N 0.096 116.016 115.700 0.368 0.000 2.420 324 S HA -0.213 4.257 4.470 0.000 0.000 0.237 324 S C 1.761 176.509 174.600 0.247 0.000 1.023 324 S CA 1.345 59.766 58.200 0.369 0.000 0.991 324 S CB -0.729 62.654 63.200 0.305 0.000 0.792 324 S HN 0.596 nan 8.310 nan 0.000 0.488 325 E N 0.700 121.037 120.200 0.227 0.000 2.152 325 E HA -0.025 4.325 4.350 0.000 0.000 0.192 325 E C 1.602 178.176 176.600 -0.043 0.000 0.983 325 E CA 0.581 57.054 56.400 0.123 0.000 0.818 325 E CB -0.552 29.211 29.700 0.106 0.000 0.758 325 E HN 0.657 nan 8.360 nan 0.000 0.467 326 F N 0.905 120.584 119.950 -0.451 0.000 2.065 326 F HA -0.232 4.295 4.527 0.001 0.000 0.298 326 F C 1.915 177.290 175.800 -0.708 0.000 1.112 326 F CA 1.726 59.056 58.000 -1.117 0.000 1.212 326 F CB -0.622 37.380 39.000 -1.662 0.000 0.975 326 F HN -0.009 nan 8.300 nan 0.000 0.476 327 W N 0.772 121.953 121.300 -0.199 0.000 2.363 327 W HA -0.147 4.513 4.660 0.000 0.000 0.296 327 W C 2.437 178.815 176.519 -0.234 0.000 1.212 327 W CA 1.120 58.324 57.345 -0.235 0.000 1.260 327 W CB -0.522 28.913 29.460 -0.041 0.000 1.131 327 W HN -0.080 nan 8.180 nan 0.000 0.530 328 K N 0.407 120.816 120.400 0.016 0.000 2.002 328 K HA -0.154 4.167 4.320 0.000 0.000 0.209 328 K C 2.369 178.898 176.600 -0.118 0.000 1.048 328 K CA 1.588 57.861 56.287 -0.023 0.000 0.930 328 K CB -0.741 31.758 32.500 -0.002 0.000 0.714 328 K HN 0.126 nan 8.250 nan 0.000 0.438 329 A N 1.485 124.171 122.820 -0.222 0.000 1.883 329 A HA -0.187 4.133 4.320 0.000 0.000 0.217 329 A C 2.149 179.559 177.584 -0.290 0.000 1.186 329 A CA 1.321 53.207 52.037 -0.251 0.000 0.624 329 A CB -0.640 18.180 19.000 -0.300 0.000 0.822 329 A HN 0.214 nan 8.150 nan 0.000 0.444 330 L N 0.187 121.135 121.223 -0.457 0.000 1.970 330 L HA -0.187 4.153 4.340 0.000 0.000 0.212 330 L C 1.644 178.411 176.870 -0.172 0.000 1.071 330 L CA 2.558 57.165 54.840 -0.387 0.000 0.751 330 L CB -0.671 41.092 42.059 -0.493 0.000 0.889 330 L HN 0.353 nan 8.230 nan 0.000 0.432 331 D N -0.881 119.458 120.400 -0.103 0.000 2.263 331 D HA -0.155 4.485 4.640 0.000 0.000 0.208 331 D C 1.561 177.833 176.300 -0.047 0.000 0.971 331 D CA 0.957 54.930 54.000 -0.047 0.000 0.867 331 D CB -0.040 40.753 40.800 -0.011 0.000 0.929 331 D HN 0.562 nan 8.370 nan 0.000 0.492 332 Q N -0.259 119.503 119.800 -0.063 0.000 2.189 332 Q HA 0.206 4.546 4.340 0.000 0.000 0.221 332 Q C -0.501 175.470 176.000 -0.048 0.000 0.848 332 Q CA -0.225 55.550 55.803 -0.047 0.000 1.007 332 Q CB 0.003 28.715 28.738 -0.043 0.000 1.116 332 Q HN 0.201 nan 8.270 nan 0.000 0.481 333 N N 0.800 119.465 118.700 -0.058 0.000 2.747 333 N HA -0.172 4.569 4.740 0.000 0.000 0.249 333 N C -0.638 174.854 175.510 -0.030 0.000 1.107 333 N CA 0.244 53.270 53.050 -0.041 0.000 0.707 333 N CB -0.656 37.821 38.487 -0.015 0.000 1.054 333 N HN 0.263 nan 8.380 nan 0.000 0.555 334 N N 0.352 119.017 118.700 -0.059 0.000 2.480 334 N HA 0.129 4.869 4.740 0.000 0.000 0.281 334 N C -0.204 175.278 175.510 -0.046 0.000 1.381 334 N CA -0.222 52.807 53.050 -0.035 0.000 0.903 334 N CB 0.327 38.781 38.487 -0.055 0.000 1.274 334 N HN 0.406 nan 8.380 nan 0.000 0.505 335 M N 2.080 121.631 119.600 -0.081 0.000 2.290 335 M HA 0.055 4.535 4.480 0.000 0.000 0.356 335 M C -2.199 174.190 176.300 0.149 0.000 1.448 335 M CA -0.312 54.922 55.300 -0.110 0.000 0.993 335 M CB 0.470 32.890 32.600 -0.300 0.000 1.934 335 M HN -0.122 nan 8.290 nan 0.000 0.461 336 P HA 0.048 nan 4.420 nan 0.000 0.269 336 P C -0.481 177.022 177.300 0.338 0.000 1.215 336 P CA 0.043 63.305 63.100 0.271 0.000 0.780 336 P CB 0.499 32.409 31.700 0.349 0.000 0.898 337 A N 2.148 125.077 122.820 0.182 0.000 1.902 337 A HA -0.022 4.299 4.320 0.000 0.000 0.217 337 A C 0.707 178.240 177.584 -0.085 0.000 1.181 337 A CA 1.663 53.712 52.037 0.020 0.000 0.623 337 A CB -0.590 18.259 19.000 -0.250 0.000 0.818 337 A HN 0.424 nan 8.150 nan 0.000 0.443 338 V N 0.641 120.512 119.914 -0.071 0.000 2.443 338 V HA 0.493 4.613 4.120 0.000 0.000 0.293 338 V C -0.796 175.399 176.094 0.168 0.000 1.021 338 V CA -0.415 61.838 62.300 -0.078 0.000 0.848 338 V CB 1.525 33.208 31.823 -0.234 0.000 0.998 338 V HN 0.244 nan 8.190 nan 0.000 0.424 339 S N 4.135 119.892 115.700 0.095 0.000 2.561 339 S HA 0.708 5.178 4.470 0.000 0.000 0.303 339 S C -1.227 173.343 174.600 -0.050 0.000 1.110 339 S CA -0.491 57.843 58.200 0.223 0.000 1.034 339 S CB 1.117 64.400 63.200 0.139 0.000 1.010 339 S HN 0.550 nan 8.310 nan 0.000 0.482 340 Y N 2.220 122.659 120.300 0.232 0.000 2.328 340 Y HA 0.528 5.078 4.550 0.000 0.000 0.337 340 Y C -0.413 175.340 175.900 -0.245 0.000 1.008 340 Y CA -0.979 57.102 58.100 -0.032 0.000 1.129 340 Y CB 0.729 39.200 38.460 0.018 0.000 1.185 340 Y HN 0.358 nan 8.280 nan 0.000 0.476 341 L N 4.318 125.445 121.223 -0.159 0.000 2.296 341 L HA 0.482 4.822 4.340 0.000 0.000 0.286 341 L C -0.542 176.297 176.870 -0.052 0.000 1.023 341 L CA -1.058 53.704 54.840 -0.130 0.000 0.812 341 L CB 1.430 43.410 42.059 -0.132 0.000 1.223 341 L HN 0.456 nan 8.230 nan 0.000 0.421 342 K N 2.576 122.909 120.400 -0.112 0.000 2.463 342 K HA 0.808 5.128 4.320 0.000 0.000 0.255 342 K C -0.524 175.942 176.600 -0.222 0.000 0.942 342 K CA -0.320 55.914 56.287 -0.088 0.000 0.814 342 K CB 1.614 34.103 32.500 -0.017 0.000 1.122 342 K HN 0.664 nan 8.250 nan 0.000 0.425 343 A N 5.231 127.663 122.820 -0.647 0.000 2.448 343 A HA 0.349 4.669 4.320 0.000 0.000 0.239 343 A C -2.103 175.198 177.584 -0.473 0.000 1.080 343 A CA -0.851 50.394 52.037 -1.321 0.000 0.779 343 A CB -0.549 17.396 19.000 -1.759 0.000 1.026 343 A HN 0.667 nan 8.150 nan 0.000 0.499 344 P HA 0.024 nan 4.420 nan 0.000 0.267 344 P C 1.182 178.502 177.300 0.034 0.000 1.200 344 P CA 0.759 63.873 63.100 0.024 0.000 0.772 344 P CB 0.395 32.227 31.700 0.221 0.000 0.855 345 G N 2.788 111.674 108.800 0.144 0.000 2.556 345 G HA2 -0.328 3.632 3.960 0.000 0.000 0.220 345 G HA3 -0.328 3.632 3.960 0.000 0.000 0.220 345 G C 1.326 176.464 174.900 0.396 0.000 1.156 345 G CA 1.168 46.398 45.100 0.216 0.000 0.766 345 G HN 0.727 nan 8.290 nan 0.000 0.583 346 Y N -0.270 120.142 120.300 0.187 0.000 2.483 346 Y HA 0.089 4.639 4.550 0.000 0.000 0.291 346 Y C 2.192 178.177 175.900 0.142 0.000 1.143 346 Y CA 1.374 59.603 58.100 0.216 0.000 1.289 346 Y CB 0.008 38.556 38.460 0.146 0.000 0.983 346 Y HN 0.309 nan 8.280 nan 0.000 0.556 347 Q N 0.605 120.157 119.800 -0.413 0.000 2.194 347 Q HA 0.017 4.358 4.340 0.000 0.000 0.214 347 Q C 0.629 176.465 176.000 -0.274 0.000 0.838 347 Q CA 0.367 55.913 55.803 -0.428 0.000 0.972 347 Q CB 0.318 28.691 28.738 -0.609 0.000 1.131 347 Q HN 0.663 nan 8.270 nan 0.000 0.498 348 D N -0.733 119.580 120.400 -0.146 0.000 2.363 348 D HA -0.009 4.631 4.640 0.000 0.000 0.220 348 D C 1.329 177.622 176.300 -0.011 0.000 0.994 348 D CA 1.081 55.014 54.000 -0.113 0.000 0.890 348 D CB 0.116 40.920 40.800 0.007 0.000 0.906 348 D HN 0.240 nan 8.370 nan 0.000 0.530 349 G N -0.468 108.347 108.800 0.027 0.000 2.213 349 G HA2 -0.291 3.669 3.960 0.000 0.000 0.236 349 G HA3 -0.291 3.669 3.960 0.000 0.000 0.236 349 G C 0.163 175.082 174.900 0.031 0.000 0.991 349 G CA 0.159 45.320 45.100 0.102 0.000 0.629 349 G HN 0.679 nan 8.290 nan 0.000 0.517 350 H N 2.148 121.104 119.070 -0.189 0.000 2.964 350 H HA 0.430 4.986 4.556 0.000 0.000 0.328 350 H C 1.385 176.483 175.328 -0.383 0.000 1.030 350 H CA 0.931 56.790 56.048 -0.315 0.000 1.445 350 H CB 0.464 29.939 29.762 -0.478 0.000 1.449 350 H HN 0.495 nan 8.280 nan 0.000 0.581 351 G N 2.281 111.045 108.800 -0.060 0.000 2.720 351 G HA2 0.266 4.226 3.960 0.000 0.000 0.237 351 G HA3 0.266 4.226 3.960 0.000 0.000 0.237 351 G C 1.012 175.981 174.900 0.116 0.000 1.239 351 G CA 0.310 45.433 45.100 0.039 0.000 0.847 351 G HN 1.036 nan 8.290 nan 0.000 0.593 352 G N 0.331 109.179 108.800 0.081 0.000 4.148 352 G HA2 -0.380 3.581 3.960 0.000 0.000 0.221 352 G HA3 -0.380 3.581 3.960 0.000 0.000 0.221 352 G C 1.249 176.237 174.900 0.147 0.000 1.373 352 G CA 1.645 46.824 45.100 0.133 0.000 0.940 352 G HN 1.834 nan 8.290 nan 0.000 0.610 353 Y N 0.205 120.588 120.300 0.139 0.000 2.442 353 Y HA 0.766 5.316 4.550 0.000 0.000 0.250 353 Y C 1.408 177.401 175.900 0.155 0.000 1.113 353 Y CA 0.621 58.791 58.100 0.116 0.000 1.273 353 Y CB -0.173 38.322 38.460 0.060 0.000 1.138 353 Y HN 0.620 nan 8.280 nan 0.000 0.522 354 S N 0.572 116.169 115.700 -0.170 0.000 2.823 354 S HA 0.766 5.236 4.470 0.000 0.000 0.316 354 S C -1.280 173.330 174.600 0.016 0.000 1.116 354 S CA -0.220 57.974 58.200 -0.010 0.000 0.911 354 S CB 1.208 64.361 63.200 -0.079 0.000 1.276 354 S HN 0.701 nan 8.310 nan 0.000 0.565 355 N N -1.262 117.466 118.700 0.046 0.000 3.348 355 N HA 0.365 5.106 4.740 0.000 0.000 0.233 355 N C -2.964 172.556 175.510 0.015 0.000 1.440 355 N CA -1.006 52.072 53.050 0.047 0.000 0.887 355 N CB 0.731 39.322 38.487 0.173 0.000 1.410 355 N HN 0.161 nan 8.380 nan 0.000 0.502 356 P HA -0.010 nan 4.420 nan 0.000 0.220 356 P C 0.840 178.068 177.300 -0.121 0.000 1.148 356 P CA 0.968 63.959 63.100 -0.180 0.000 0.803 356 P CB 0.249 31.613 31.700 -0.560 0.000 0.782 357 L N -0.863 120.314 121.223 -0.076 0.000 2.068 357 L HA -0.072 4.269 4.340 0.000 0.000 0.204 357 L C 2.071 178.930 176.870 -0.019 0.000 1.076 357 L CA 1.302 56.105 54.840 -0.061 0.000 0.753 357 L CB -0.947 41.070 42.059 -0.069 0.000 0.910 357 L HN -0.057 nan 8.230 nan 0.000 0.439 358 D N 0.166 120.569 120.400 0.005 0.000 2.117 358 D HA -0.227 4.413 4.640 0.000 0.000 0.197 358 D C 1.980 178.285 176.300 0.008 0.000 0.987 358 D CA 1.303 55.304 54.000 0.002 0.000 0.829 358 D CB 0.104 40.910 40.800 0.009 0.000 0.961 358 D HN 0.399 nan 8.370 nan 0.000 0.460 359 E N 0.928 121.151 120.200 0.039 0.000 2.058 359 E HA -0.250 4.101 4.350 0.000 0.000 0.194 359 E C 2.088 178.802 176.600 0.189 0.000 0.997 359 E CA 1.116 57.595 56.400 0.131 0.000 0.801 359 E CB -0.021 29.772 29.700 0.155 0.000 0.746 359 E HN 0.231 nan 8.360 nan 0.000 0.450 360 Q N 0.522 120.374 119.800 0.086 0.000 2.084 360 Q HA -0.260 4.080 4.340 0.000 0.000 0.202 360 Q C 2.072 178.117 176.000 0.075 0.000 0.978 360 Q CA 1.924 57.764 55.803 0.061 0.000 0.844 360 Q CB -0.083 28.637 28.738 -0.031 0.000 0.898 360 Q HN 0.344 nan 8.270 nan 0.000 0.426 361 E N 0.138 120.380 120.200 0.070 0.000 2.051 361 E HA -0.212 4.138 4.350 0.000 0.000 0.192 361 E C 1.661 178.333 176.600 0.120 0.000 0.991 361 E CA 1.449 57.892 56.400 0.072 0.000 0.799 361 E CB -0.506 29.233 29.700 0.065 0.000 0.748 361 E HN 0.661 nan 8.360 nan 0.000 0.449 362 W N 1.328 122.615 121.300 -0.022 0.000 2.333 362 W HA -0.252 4.409 4.660 0.001 0.000 0.316 362 W C 1.564 178.111 176.519 0.048 0.000 1.215 362 W CA 1.185 58.531 57.345 0.001 0.000 1.278 362 W CB -0.527 28.910 29.460 -0.037 0.000 1.154 362 W HN 0.140 nan 8.180 nan 0.000 0.486 363 L N 0.590 121.777 121.223 -0.061 0.000 2.017 363 L HA -0.258 4.082 4.340 0.000 0.000 0.208 363 L C 2.586 179.399 176.870 -0.095 0.000 1.073 363 L CA 1.498 56.235 54.840 -0.172 0.000 0.745 363 L CB -1.325 40.808 42.059 0.122 0.000 0.894 363 L HN -0.169 nan 8.230 nan 0.000 0.432 364 V N -0.019 119.909 119.914 0.024 0.000 2.307 364 V HA -0.255 3.865 4.120 0.000 0.000 0.245 364 V C 2.253 178.321 176.094 -0.044 0.000 1.045 364 V CA 1.779 64.109 62.300 0.050 0.000 1.024 364 V CB -0.677 31.164 31.823 0.030 0.000 0.651 364 V HN 0.473 nan 8.190 nan 0.000 0.449 365 N N 0.143 118.792 118.700 -0.085 0.000 2.104 365 N HA -0.146 4.595 4.740 0.000 0.000 0.190 365 N C 1.913 177.297 175.510 -0.210 0.000 1.024 365 N CA 2.042 55.010 53.050 -0.135 0.000 0.853 365 N CB -0.558 37.867 38.487 -0.103 0.000 1.008 365 N HN 0.477 nan 8.380 nan 0.000 0.424 366 T N 1.720 116.113 114.554 -0.269 0.000 2.674 366 T HA 0.006 4.356 4.350 0.000 0.000 0.265 366 T C 2.162 176.828 174.700 -0.057 0.000 1.039 366 T CA 0.821 62.803 62.100 -0.197 0.000 1.150 366 T CB -0.172 68.297 68.868 -0.664 0.000 0.864 366 T HN 0.160 nan 8.240 nan 0.000 0.427 367 I N 1.261 121.745 120.570 -0.144 0.000 2.286 367 I HA -0.136 4.034 4.170 0.000 0.000 0.245 367 I C 2.432 178.483 176.117 -0.110 0.000 1.104 367 I CA 0.710 61.932 61.300 -0.130 0.000 1.397 367 I CB -0.391 37.471 38.000 -0.229 0.000 1.072 367 I HN 0.124 nan 8.210 nan 0.000 0.417 368 N N 0.989 119.639 118.700 -0.082 0.000 2.037 368 N HA -0.250 4.491 4.740 0.000 0.000 0.196 368 N C 1.926 177.358 175.510 -0.129 0.000 1.034 368 N CA 1.484 54.469 53.050 -0.109 0.000 0.861 368 N CB -0.432 37.999 38.487 -0.093 0.000 1.039 368 N HN 0.285 nan 8.380 nan 0.000 0.427 369 R N 0.441 120.870 120.500 -0.119 0.000 2.092 369 R HA 0.066 4.406 4.340 0.000 0.000 0.231 369 R C 2.218 178.547 176.300 0.047 0.000 1.119 369 R CA 0.808 56.839 56.100 -0.114 0.000 0.970 369 R CB -0.180 29.907 30.300 -0.356 0.000 0.864 369 R HN 0.204 nan 8.270 nan 0.000 0.440 370 I N 0.703 121.366 120.570 0.156 0.000 2.226 370 I HA -0.304 3.866 4.170 0.000 0.000 0.245 370 I C 2.345 178.509 176.117 0.079 0.000 1.100 370 I CA 1.433 62.853 61.300 0.199 0.000 1.374 370 I CB -0.283 37.863 38.000 0.244 0.000 1.057 370 I HN 0.290 nan 8.210 nan 0.000 0.413 371 Q N 0.112 119.802 119.800 -0.183 0.000 2.170 371 Q HA -0.276 4.064 4.340 0.000 0.000 0.203 371 Q C 2.117 177.904 176.000 -0.355 0.000 0.976 371 Q CA 1.373 56.795 55.803 -0.635 0.000 0.858 371 Q CB -0.116 28.093 28.738 -0.881 0.000 0.907 371 Q HN 0.483 nan 8.270 nan 0.000 0.433 372 Q N 0.371 120.069 119.800 -0.170 0.000 2.435 372 Q HA -0.014 4.326 4.340 0.000 0.000 0.207 372 Q C 0.506 176.496 176.000 -0.016 0.000 0.956 372 Q CA 0.330 56.078 55.803 -0.092 0.000 0.917 372 Q CB 0.420 29.106 28.738 -0.087 0.000 0.997 372 Q HN 0.257 nan 8.270 nan 0.000 0.497 373 S N -0.897 114.821 115.700 0.030 0.000 2.645 373 S HA 0.175 4.646 4.470 0.000 0.000 0.266 373 S C 0.768 175.418 174.600 0.084 0.000 1.258 373 S CA -0.684 57.545 58.200 0.047 0.000 0.990 373 S CB 1.031 64.257 63.200 0.044 0.000 0.967 373 S HN 0.080 nan 8.310 nan 0.000 0.556 374 K N 0.120 120.548 120.400 0.046 0.000 2.362 374 K HA -0.025 4.295 4.320 0.000 0.000 0.200 374 K C 0.318 176.963 176.600 0.075 0.000 1.046 374 K CA 1.107 57.428 56.287 0.057 0.000 0.952 374 K CB -0.145 32.370 32.500 0.025 0.000 0.753 374 K HN 0.637 nan 8.250 nan 0.000 0.466 375 D N -0.388 120.042 120.400 0.049 0.000 2.395 375 D HA -0.057 4.583 4.640 0.000 0.000 0.213 375 D C 1.178 177.542 176.300 0.107 0.000 1.110 375 D CA -0.151 53.854 54.000 0.009 0.000 0.835 375 D CB 0.113 40.749 40.800 -0.274 0.000 0.965 375 D HN 0.348 nan 8.370 nan 0.000 0.505 376 W N 2.602 123.909 121.300 0.011 0.000 2.350 376 W HA -0.212 4.448 4.660 0.000 0.000 0.289 376 W C 0.393 176.965 176.519 0.088 0.000 1.215 376 W CA 1.249 58.623 57.345 0.050 0.000 1.236 376 W CB 0.112 29.596 29.460 0.039 0.000 1.130 376 W HN -0.084 nan 8.180 nan 0.000 0.541 377 D N 0.496 120.853 120.400 -0.072 0.000 2.221 377 D HA -0.190 4.451 4.640 0.000 0.000 0.204 377 D C 2.056 178.310 176.300 -0.076 0.000 0.982 377 D CA 2.045 55.941 54.000 -0.174 0.000 0.857 377 D CB -0.476 40.325 40.800 0.002 0.000 0.934 377 D HN 0.144 nan 8.370 nan 0.000 0.475 378 S N -1.411 114.324 115.700 0.059 0.000 2.663 378 S HA 0.220 4.690 4.470 0.000 0.000 0.243 378 S C 0.335 175.069 174.600 0.224 0.000 1.009 378 S CA -0.656 57.656 58.200 0.186 0.000 0.988 378 S CB 0.235 63.565 63.200 0.217 0.000 0.896 378 S HN -0.114 nan 8.310 nan 0.000 0.502 379 T N 2.649 117.258 114.554 0.091 0.000 2.902 379 T HA 0.756 5.106 4.350 0.000 0.000 0.283 379 T C -0.365 174.392 174.700 0.094 0.000 1.009 379 T CA -0.395 61.797 62.100 0.154 0.000 1.051 379 T CB 1.589 70.567 68.868 0.184 0.000 0.999 379 T HN 0.483 nan 8.240 nan 0.000 0.474 380 A N 3.118 126.067 122.820 0.216 0.000 2.330 380 A HA 0.753 5.074 4.320 0.000 0.000 0.313 380 A C -0.517 177.165 177.584 0.162 0.000 1.124 380 A CA -0.713 51.460 52.037 0.227 0.000 0.774 380 A CB 0.344 19.577 19.000 0.388 0.000 1.198 380 A HN 0.840 nan 8.150 nan 0.000 0.465 381 I N 3.170 123.790 120.570 0.083 0.000 2.336 381 I HA 0.353 4.523 4.170 0.000 0.000 0.292 381 I C -0.510 175.575 176.117 -0.053 0.000 0.991 381 I CA -0.188 61.118 61.300 0.009 0.000 1.227 381 I CB 1.374 39.347 38.000 -0.044 0.000 1.366 381 I HN 0.487 nan 8.210 nan 0.000 0.466 382 I N 7.071 127.620 120.570 -0.035 0.000 2.354 382 I HA 0.407 4.577 4.170 0.000 0.000 0.292 382 I C -0.302 175.806 176.117 -0.015 0.000 0.989 382 I CA -0.473 60.804 61.300 -0.038 0.000 1.188 382 I CB 1.517 39.514 38.000 -0.006 0.000 1.342 382 I HN 0.388 nan 8.210 nan 0.000 0.457 383 I N 7.381 127.947 120.570 -0.007 0.000 2.339 383 I HA 0.504 4.674 4.170 0.000 0.000 0.290 383 I C -0.422 175.768 176.117 0.122 0.000 0.994 383 I CA -0.358 60.969 61.300 0.045 0.000 1.191 383 I CB 1.590 39.630 38.000 0.066 0.000 1.343 383 I HN 0.496 nan 8.210 nan 0.000 0.458 384 I N 5.344 126.003 120.570 0.147 0.000 2.894 384 I HA 0.436 4.606 4.170 0.000 0.000 0.302 384 I C -1.491 174.717 176.117 0.152 0.000 1.188 384 I CA -0.532 60.922 61.300 0.258 0.000 1.014 384 I CB 2.495 40.658 38.000 0.272 0.000 1.242 384 I HN 0.310 nan 8.210 nan 0.000 0.430 385 Y N 3.134 123.502 120.300 0.114 0.000 2.453 385 Y HA 0.266 4.816 4.550 0.000 0.000 0.326 385 Y C 0.951 176.755 175.900 -0.160 0.000 1.186 385 Y CA -0.469 57.570 58.100 -0.102 0.000 1.200 385 Y CB 0.965 39.371 38.460 -0.091 0.000 1.247 385 Y HN 0.614 nan 8.280 nan 0.000 0.482 386 D N -0.716 119.423 120.400 -0.436 0.000 2.213 386 D HA -0.032 4.608 4.640 0.000 0.000 0.205 386 D C -0.266 176.044 176.300 0.016 0.000 0.961 386 D CA 1.076 54.896 54.000 -0.301 0.000 0.853 386 D CB 0.035 40.474 40.800 -0.602 0.000 0.967 386 D HN 0.689 nan 8.370 nan 0.000 0.496 387 D N -1.994 118.398 120.400 -0.013 0.000 2.725 387 D HA 0.148 4.788 4.640 0.000 0.000 0.292 387 D C -0.121 176.163 176.300 -0.026 0.000 1.288 387 D CA -0.262 53.750 54.000 0.019 0.000 0.784 387 D CB 0.711 41.529 40.800 0.030 0.000 1.308 387 D HN -0.161 nan 8.370 nan 0.000 0.429 388 S N -0.510 115.190 115.700 -0.001 0.000 2.556 388 S HA 0.194 4.664 4.470 0.000 0.000 0.216 388 S C 0.674 175.242 174.600 -0.052 0.000 0.970 388 S CA 0.708 58.897 58.200 -0.018 0.000 0.912 388 S CB -0.370 62.885 63.200 0.092 0.000 0.790 388 S HN 0.635 nan 8.310 nan 0.000 0.504 389 D N 0.500 120.812 120.400 -0.146 0.000 2.946 389 D HA -0.173 4.467 4.640 0.000 0.000 0.202 389 D C 1.036 177.456 176.300 0.200 0.000 1.068 389 D CA 1.961 55.852 54.000 -0.182 0.000 1.011 389 D CB -1.532 39.169 40.800 -0.165 0.000 1.105 389 D HN 1.142 nan 8.370 nan 0.000 0.425 390 G N -0.682 108.256 108.800 0.230 0.000 2.157 390 G HA2 -0.270 3.690 3.960 0.000 0.000 0.248 390 G HA3 -0.270 3.690 3.960 0.000 0.000 0.248 390 G C -0.105 175.024 174.900 0.382 0.000 0.979 390 G CA 0.332 45.610 45.100 0.297 0.000 0.650 390 G HN 0.505 nan 8.290 nan 0.000 0.529 391 D N -0.687 119.886 120.400 0.288 0.000 2.368 391 D HA 0.315 4.955 4.640 0.000 0.000 0.240 391 D C 0.718 177.211 176.300 0.322 0.000 1.169 391 D CA -0.264 53.902 54.000 0.276 0.000 0.906 391 D CB 0.351 41.224 40.800 0.121 0.000 1.187 391 D HN 0.183 nan 8.370 nan 0.000 0.435 392 Y N 1.337 121.657 120.300 0.034 0.000 2.810 392 Y HA 0.061 4.612 4.550 0.001 0.000 0.332 392 Y C -0.074 175.702 175.900 -0.208 0.000 1.243 392 Y CA 0.410 58.254 58.100 -0.428 0.000 1.537 392 Y CB 0.226 38.459 38.460 -0.379 0.000 1.265 392 Y HN 0.268 nan 8.280 nan 0.000 0.572 393 D N 3.732 123.549 120.400 -0.973 0.000 2.857 393 D HA 0.156 4.796 4.640 0.000 0.000 0.227 393 D C 0.407 176.128 176.300 -0.965 0.000 1.192 393 D CA -0.502 53.021 54.000 -0.795 0.000 0.857 393 D CB 0.709 41.382 40.800 -0.212 0.000 1.645 393 D HN 0.671 nan 8.370 nan 0.000 0.482 394 H N 1.695 120.318 119.070 -0.744 0.000 2.535 394 H HA 0.149 4.705 4.556 0.000 0.000 0.273 394 H C -0.059 175.177 175.328 -0.154 0.000 0.983 394 H CA 0.096 55.921 56.048 -0.371 0.000 1.238 394 H CB -0.202 29.482 29.762 -0.129 0.000 1.412 394 H HN 0.035 nan 8.280 nan 0.000 0.562 395 V N 2.966 122.568 119.914 -0.521 0.000 2.427 395 V HA -0.068 4.052 4.120 0.000 0.000 0.268 395 V C -0.341 175.697 176.094 -0.093 0.000 1.046 395 V CA -0.528 61.618 62.300 -0.255 0.000 0.970 395 V CB -0.159 31.545 31.823 -0.199 0.000 1.001 395 V HN 0.285 nan 8.190 nan 0.000 0.476 396 Y N 5.331 125.519 120.300 -0.187 0.000 2.640 396 Y HA 0.218 4.769 4.550 0.001 0.000 0.355 396 Y C 1.013 176.897 175.900 -0.027 0.000 1.088 396 Y CA -0.601 57.395 58.100 -0.174 0.000 1.443 396 Y CB -0.265 38.149 38.460 -0.076 0.000 1.224 396 Y HN 0.726 nan 8.280 nan 0.000 0.516 397 S N 8.697 124.378 115.700 -0.031 0.000 2.558 397 S HA 0.123 4.594 4.470 0.000 0.000 0.288 397 S C -2.136 172.177 174.600 -0.479 0.000 1.318 397 S CA -0.942 57.048 58.200 -0.349 0.000 1.056 397 S CB 0.094 63.163 63.200 -0.219 0.000 0.853 397 S HN 0.573 nan 8.310 nan 0.000 0.505 398 P HA 0.235 nan 4.420 nan 0.000 0.274 398 P C -0.727 176.353 177.300 -0.367 0.000 1.256 398 P CA -0.596 62.286 63.100 -0.363 0.000 0.795 398 P CB 0.606 32.155 31.700 -0.252 0.000 1.038 399 K N 0.279 120.473 120.400 -0.343 0.000 2.185 399 K HA 0.293 4.613 4.320 0.000 0.000 0.271 399 K C 0.903 177.122 176.600 -0.636 0.000 1.013 399 K CA -0.369 55.678 56.287 -0.400 0.000 0.943 399 K CB 0.429 32.767 32.500 -0.270 0.000 0.998 399 K HN 0.518 nan 8.250 nan 0.000 0.468 400 S N 1.117 116.330 115.700 -0.811 0.000 2.669 400 S HA 0.077 4.547 4.470 0.000 0.000 0.270 400 S C 0.824 175.162 174.600 -0.437 0.000 1.225 400 S CA -0.650 57.055 58.200 -0.824 0.000 0.991 400 S CB 1.204 63.987 63.200 -0.696 0.000 0.987 400 S HN 0.482 nan 8.310 nan 0.000 0.552 401 Q N -0.235 119.299 119.800 -0.444 0.000 2.436 401 Q HA 0.111 4.451 4.340 0.000 0.000 0.209 401 Q C 0.459 176.046 176.000 -0.689 0.000 0.965 401 Q CA 1.038 56.436 55.803 -0.675 0.000 0.910 401 Q CB -0.507 27.462 28.738 -1.281 0.000 0.980 401 Q HN 0.835 nan 8.270 nan 0.000 0.491 402 F N -0.683 119.129 119.950 -0.231 0.000 2.664 402 F HA 0.151 4.678 4.527 0.000 0.000 0.303 402 F C 2.109 177.823 175.800 -0.144 0.000 1.092 402 F CA -0.057 57.850 58.000 -0.154 0.000 1.305 402 F CB 0.172 39.101 39.000 -0.117 0.000 1.054 402 F HN -0.074 nan 8.300 nan 0.000 0.565 403 S N 0.138 115.805 115.700 -0.054 0.000 2.419 403 S HA -0.174 4.296 4.470 0.000 0.000 0.233 403 S C 1.589 176.174 174.600 -0.025 0.000 1.016 403 S CA 1.662 59.832 58.200 -0.050 0.000 0.974 403 S CB -0.228 62.900 63.200 -0.121 0.000 0.786 403 S HN 0.279 nan 8.310 nan 0.000 0.492 404 D N 0.786 121.159 120.400 -0.045 0.000 2.340 404 D HA 0.139 4.779 4.640 0.000 0.000 0.220 404 D C -0.066 176.240 176.300 0.010 0.000 1.039 404 D CA 0.172 54.157 54.000 -0.024 0.000 0.866 404 D CB 0.073 40.845 40.800 -0.047 0.000 0.913 404 D HN 0.354 nan 8.370 nan 0.000 0.523 405 I N 1.506 122.093 120.570 0.028 0.000 2.315 405 I HA 0.098 4.269 4.170 0.000 0.000 0.291 405 I C 0.797 176.943 176.117 0.049 0.000 1.006 405 I CA -0.925 60.402 61.300 0.046 0.000 1.265 405 I CB 0.977 39.006 38.000 0.049 0.000 1.387 405 I HN -0.279 nan 8.210 nan 0.000 0.475 406 K N 4.358 124.807 120.400 0.082 0.000 2.484 406 K HA 0.230 4.550 4.320 0.000 0.000 0.280 406 K C 1.100 177.765 176.600 0.109 0.000 1.013 406 K CA 1.153 57.505 56.287 0.109 0.000 1.029 406 K CB 0.233 32.798 32.500 0.108 0.000 0.902 406 K HN 0.911 nan 8.250 nan 0.000 0.481 407 G N 3.912 112.768 108.800 0.093 0.000 2.195 407 G HA2 -0.273 3.687 3.960 0.000 0.000 0.246 407 G HA3 -0.273 3.687 3.960 0.000 0.000 0.246 407 G C 0.496 175.384 174.900 -0.020 0.000 0.984 407 G CA 0.298 45.373 45.100 -0.041 0.000 0.633 407 G HN 0.697 nan 8.290 nan 0.000 0.525 408 R N -0.307 120.214 120.500 0.036 0.000 2.596 408 R HA 0.251 4.591 4.340 0.000 0.000 0.369 408 R C 0.643 177.030 176.300 0.145 0.000 1.042 408 R CA -0.376 55.728 56.100 0.006 0.000 1.120 408 R CB 0.521 30.693 30.300 -0.212 0.000 1.353 408 R HN 0.345 nan 8.270 nan 0.000 0.564 409 Q N 1.383 121.336 119.800 0.256 0.000 2.283 409 Q HA 0.215 4.555 4.340 0.000 0.000 0.301 409 Q C 0.110 176.256 176.000 0.245 0.000 1.063 409 Q CA 0.998 56.898 55.803 0.162 0.000 0.952 409 Q CB 0.735 29.457 28.738 -0.026 0.000 1.166 409 Q HN 0.418 nan 8.270 nan 0.000 0.381 410 G N 2.054 110.937 108.800 0.138 0.000 2.349 410 G HA2 0.252 4.213 3.960 0.000 0.000 0.294 410 G HA3 0.252 4.213 3.960 0.000 0.000 0.294 410 G C -1.865 172.897 174.900 -0.230 0.000 1.380 410 G CA -0.945 44.140 45.100 -0.024 0.000 0.811 410 G HN 0.383 nan 8.290 nan 0.000 0.519 411 Y N 0.319 120.501 120.300 -0.196 0.000 2.457 411 Y HA 0.455 5.005 4.550 0.000 0.000 0.341 411 Y C 1.500 177.039 175.900 -0.601 0.000 1.240 411 Y CA 0.835 58.769 58.100 -0.276 0.000 1.437 411 Y CB 0.606 38.901 38.460 -0.275 0.000 1.328 411 Y HN 0.718 nan 8.280 nan 0.000 0.588 412 G N 1.509 110.042 108.800 -0.444 0.000 2.510 412 G HA2 0.408 4.368 3.960 0.000 0.000 0.280 412 G HA3 0.408 4.368 3.960 0.000 0.000 0.280 412 G C -2.700 172.019 174.900 -0.301 0.000 1.386 412 G CA -1.647 42.838 45.100 -1.025 0.000 1.047 412 G HN 0.368 nan 8.290 nan 0.000 0.527 413 P HA 0.087 nan 4.420 nan 0.000 0.267 413 P C -0.044 177.400 177.300 0.239 0.000 1.201 413 P CA -0.007 63.275 63.100 0.304 0.000 0.775 413 P CB 0.460 32.329 31.700 0.282 0.000 0.854 414 R N 2.278 122.884 120.500 0.177 0.000 2.490 414 R HA 0.424 4.764 4.340 0.000 0.000 0.280 414 R C -0.629 175.622 176.300 -0.083 0.000 1.077 414 R CA -0.187 55.775 56.100 -0.229 0.000 1.065 414 R CB -0.033 29.992 30.300 -0.459 0.000 1.003 414 R HN 0.439 nan 8.270 nan 0.000 0.470 415 L N 4.855 126.011 121.223 -0.112 0.000 2.333 415 L HA 0.540 4.880 4.340 0.000 0.000 0.263 415 L C -2.271 174.667 176.870 0.113 0.000 1.014 415 L CA -2.757 52.093 54.840 0.016 0.000 0.820 415 L CB 2.445 44.545 42.059 0.067 0.000 1.352 415 L HN 0.564 nan 8.230 nan 0.000 0.421 416 P HA 0.243 nan 4.420 nan 0.000 0.271 416 P C -0.997 176.428 177.300 0.207 0.000 1.216 416 P CA -0.219 62.975 63.100 0.157 0.000 0.776 416 P CB 0.740 32.530 31.700 0.151 0.000 0.881 417 M N 4.162 123.808 119.600 0.076 0.000 2.238 417 M HA 0.492 4.972 4.480 0.000 0.000 0.278 417 M C -2.386 173.882 176.300 -0.053 0.000 1.040 417 M CA -0.477 54.849 55.300 0.043 0.000 0.969 417 M CB 1.040 33.634 32.600 -0.009 0.000 1.694 417 M HN 0.019 nan 8.290 nan 0.000 0.472 418 L N 4.733 125.942 121.223 -0.024 0.000 2.388 418 L HA 0.889 5.229 4.340 0.000 0.000 0.264 418 L C -1.129 175.680 176.870 -0.102 0.000 0.998 418 L CA -0.726 54.074 54.840 -0.067 0.000 0.817 418 L CB 2.637 44.691 42.059 -0.008 0.000 1.338 418 L HN 0.516 nan 8.230 nan 0.000 0.414 419 V N 3.404 123.231 119.914 -0.144 0.000 2.483 419 V HA 0.528 4.648 4.120 0.000 0.000 0.297 419 V C -0.505 175.493 176.094 -0.159 0.000 1.027 419 V CA -0.338 61.833 62.300 -0.215 0.000 0.855 419 V CB 1.767 33.324 31.823 -0.442 0.000 0.995 419 V HN 0.503 nan 8.190 nan 0.000 0.424 420 I N 4.107 124.549 120.570 -0.214 0.000 2.410 420 I HA 0.705 4.875 4.170 0.000 0.000 0.286 420 I C -0.135 175.897 176.117 -0.141 0.000 1.009 420 I CA 0.077 61.110 61.300 -0.444 0.000 1.111 420 I CB 1.833 39.389 38.000 -0.740 0.000 1.262 420 I HN 0.654 nan 8.210 nan 0.000 0.443 421 S N 6.805 122.522 115.700 0.028 0.000 2.565 421 S HA 0.421 4.892 4.470 0.000 0.000 0.274 421 S C -2.424 172.181 174.600 0.007 0.000 1.144 421 S CA -0.848 57.314 58.200 -0.064 0.000 0.849 421 S CB 1.805 65.126 63.200 0.200 0.000 1.103 421 S HN 0.323 nan 8.310 nan 0.000 0.455 422 P HA 0.058 nan 4.420 nan 0.000 0.230 422 P C 0.329 177.455 177.300 -0.290 0.000 1.158 422 P CA 0.907 63.825 63.100 -0.302 0.000 0.769 422 P CB -0.177 31.129 31.700 -0.656 0.000 0.807 423 Y N -0.419 119.916 120.300 0.058 0.000 2.449 423 Y HA 0.416 4.967 4.550 0.000 0.000 0.254 423 Y C 1.495 177.474 175.900 0.132 0.000 1.140 423 Y CA -0.608 57.562 58.100 0.117 0.000 1.272 423 Y CB -0.464 38.108 38.460 0.186 0.000 1.114 423 Y HN -0.139 nan 8.280 nan 0.000 0.525 424 A N 1.286 124.254 122.820 0.246 0.000 2.440 424 A HA 0.172 4.493 4.320 0.000 0.000 0.251 424 A C 0.324 177.918 177.584 0.017 0.000 1.089 424 A CA -0.546 51.526 52.037 0.059 0.000 0.779 424 A CB 0.082 19.171 19.000 0.148 0.000 1.022 424 A HN 0.276 nan 8.150 nan 0.000 0.492 425 K N 1.109 121.430 120.400 -0.131 0.000 2.489 425 K HA 0.258 4.578 4.320 0.000 0.000 0.278 425 K C 0.275 176.866 176.600 -0.016 0.000 1.000 425 K CA 0.502 56.692 56.287 -0.162 0.000 1.012 425 K CB 0.503 32.711 32.500 -0.487 0.000 0.903 425 K HN 0.741 nan 8.250 nan 0.000 0.485 426 A N 3.362 126.176 122.820 -0.009 0.000 2.274 426 A HA 0.212 4.533 4.320 0.000 0.000 0.309 426 A C 0.337 177.950 177.584 0.049 0.000 1.226 426 A CA -0.416 51.607 52.037 -0.022 0.000 0.853 426 A CB 0.303 19.250 19.000 -0.089 0.000 1.146 426 A HN 0.880 nan 8.150 nan 0.000 0.518 427 N N -0.316 118.423 118.700 0.066 0.000 2.738 427 N HA -0.231 4.509 4.740 0.000 0.000 0.249 427 N C -1.165 174.425 175.510 0.133 0.000 1.047 427 N CA 1.190 54.304 53.050 0.107 0.000 0.707 427 N CB -1.698 36.834 38.487 0.075 0.000 0.937 427 N HN 0.754 nan 8.380 nan 0.000 0.545 428 Y N -0.780 119.509 120.300 -0.020 0.000 2.376 428 Y HA 0.588 5.138 4.550 0.001 0.000 0.340 428 Y C -0.498 175.330 175.900 -0.119 0.000 0.965 428 Y CA -0.851 57.209 58.100 -0.066 0.000 1.078 428 Y CB 1.418 39.827 38.460 -0.085 0.000 1.193 428 Y HN -0.048 nan 8.280 nan 0.000 0.452 429 V N 5.978 125.508 119.914 -0.640 0.000 2.328 429 V HA 0.168 4.288 4.120 0.000 0.000 0.278 429 V C -0.592 174.924 176.094 -0.962 0.000 1.021 429 V CA -0.765 61.177 62.300 -0.596 0.000 0.838 429 V CB 1.023 32.599 31.823 -0.412 0.000 0.999 429 V HN 0.736 nan 8.190 nan 0.000 0.447 430 D N 3.088 123.185 120.400 -0.506 0.000 2.312 430 D HA 0.168 4.808 4.640 0.000 0.000 0.252 430 D C 0.761 176.818 176.300 -0.405 0.000 1.150 430 D CA -0.023 53.781 54.000 -0.328 0.000 0.870 430 D CB 0.752 41.532 40.800 -0.034 0.000 1.153 430 D HN 0.542 nan 8.370 nan 0.000 0.457 431 H N 1.876 120.882 119.070 -0.106 0.000 2.549 431 H HA 0.192 4.748 4.556 0.000 0.000 0.279 431 H C 0.239 175.533 175.328 -0.058 0.000 1.018 431 H CA -0.214 55.770 56.048 -0.106 0.000 1.175 431 H CB -0.013 29.691 29.762 -0.097 0.000 1.485 431 H HN 0.218 nan 8.280 nan 0.000 0.543 432 S N 1.841 117.565 115.700 0.039 0.000 2.558 432 S HA -0.032 4.438 4.470 0.000 0.000 0.288 432 S C 0.508 175.130 174.600 0.037 0.000 1.318 432 S CA -0.424 57.799 58.200 0.039 0.000 1.056 432 S CB 0.717 63.929 63.200 0.020 0.000 0.853 432 S HN 0.217 nan 8.310 nan 0.000 0.505 433 L N 5.282 126.545 121.223 0.066 0.000 2.456 433 L HA 0.328 4.668 4.340 0.000 0.000 0.277 433 L C -0.754 176.154 176.870 0.062 0.000 1.124 433 L CA 0.775 55.676 54.840 0.102 0.000 0.880 433 L CB -0.745 41.385 42.059 0.119 0.000 1.192 433 L HN 0.517 nan 8.230 nan 0.000 0.463 434 L N 4.992 126.236 121.223 0.035 0.000 2.303 434 L HA 0.643 4.984 4.340 0.000 0.000 0.266 434 L C -0.311 176.509 176.870 -0.083 0.000 1.011 434 L CA -0.907 53.923 54.840 -0.017 0.000 0.818 434 L CB 2.082 44.120 42.059 -0.034 0.000 1.326 434 L HN 0.827 nan 8.230 nan 0.000 0.435 435 N N -1.546 117.078 118.700 -0.126 0.000 3.102 435 N HA 0.267 5.007 4.740 0.000 0.000 0.299 435 N C -0.143 175.351 175.510 -0.025 0.000 1.482 435 N CA -0.874 52.065 53.050 -0.186 0.000 0.785 435 N CB 1.111 39.274 38.487 -0.539 0.000 1.680 435 N HN 0.466 nan 8.380 nan 0.000 0.594 436 Q N -0.766 119.052 119.800 0.029 0.000 2.181 436 Q HA -0.068 4.273 4.340 0.000 0.000 0.205 436 Q C 1.640 177.691 176.000 0.086 0.000 0.980 436 Q CA 1.873 57.731 55.803 0.091 0.000 0.862 436 Q CB -0.325 28.496 28.738 0.138 0.000 0.905 436 Q HN 0.725 nan 8.270 nan 0.000 0.429 437 A N 0.069 122.942 122.820 0.088 0.000 2.216 437 A HA -0.073 4.248 4.320 0.000 0.000 0.214 437 A C 1.986 179.636 177.584 0.109 0.000 1.160 437 A CA 0.855 52.954 52.037 0.104 0.000 0.725 437 A CB -0.176 18.902 19.000 0.130 0.000 0.784 437 A HN 0.189 nan 8.150 nan 0.000 0.472 438 S N -0.560 115.197 115.700 0.093 0.000 2.423 438 S HA -0.098 4.372 4.470 0.000 0.000 0.231 438 S C 1.813 176.503 174.600 0.150 0.000 1.014 438 S CA 1.276 59.538 58.200 0.103 0.000 0.965 438 S CB -0.217 63.020 63.200 0.062 0.000 0.785 438 S HN 0.424 nan 8.310 nan 0.000 0.495 439 V N 1.651 121.653 119.914 0.147 0.000 2.358 439 V HA -0.108 4.012 4.120 0.000 0.000 0.246 439 V C 2.226 178.465 176.094 0.241 0.000 1.047 439 V CA 1.264 63.682 62.300 0.196 0.000 1.035 439 V CB -0.645 31.273 31.823 0.157 0.000 0.658 439 V HN 0.356 nan 8.190 nan 0.000 0.452 440 L N 0.716 122.047 121.223 0.180 0.000 2.012 440 L HA -0.195 4.145 4.340 0.000 0.000 0.210 440 L C 2.451 179.409 176.870 0.146 0.000 1.073 440 L CA 2.340 57.270 54.840 0.151 0.000 0.748 440 L CB -0.835 41.285 42.059 0.102 0.000 0.891 440 L HN 0.298 nan 8.230 nan 0.000 0.431 441 K N -0.887 119.602 120.400 0.148 0.000 2.074 441 K HA -0.282 4.038 4.320 0.000 0.000 0.209 441 K C 2.076 178.798 176.600 0.203 0.000 1.048 441 K CA 2.055 58.426 56.287 0.140 0.000 0.926 441 K CB -0.859 31.713 32.500 0.119 0.000 0.713 441 K HN 0.321 nan 8.250 nan 0.000 0.444 442 F N 0.840 120.871 119.950 0.134 0.000 2.095 442 F HA -0.105 4.422 4.527 0.000 0.000 0.298 442 F C 1.722 177.689 175.800 0.278 0.000 1.104 442 F CA 1.627 59.743 58.000 0.194 0.000 1.232 442 F CB -0.281 38.843 39.000 0.207 0.000 0.987 442 F HN 0.019 nan 8.300 nan 0.000 0.475 443 I N 0.298 120.992 120.570 0.206 0.000 2.163 443 I HA -0.317 3.854 4.170 0.000 0.000 0.243 443 I C 2.317 178.532 176.117 0.163 0.000 1.085 443 I CA 1.868 63.313 61.300 0.241 0.000 1.347 443 I CB -0.638 37.468 38.000 0.176 0.000 1.044 443 I HN 0.204 nan 8.210 nan 0.000 0.408 444 E N -0.074 120.171 120.200 0.075 0.000 2.051 444 E HA -0.283 4.067 4.350 0.000 0.000 0.192 444 E C 2.122 178.723 176.600 0.002 0.000 0.991 444 E CA 1.676 58.085 56.400 0.015 0.000 0.799 444 E CB -0.308 29.386 29.700 -0.010 0.000 0.748 444 E HN 0.500 nan 8.360 nan 0.000 0.449 445 Y N 1.819 122.038 120.300 -0.135 0.000 2.145 445 Y HA -0.266 4.284 4.550 0.000 0.000 0.286 445 Y C 2.131 177.839 175.900 -0.320 0.000 1.145 445 Y CA 1.979 59.966 58.100 -0.188 0.000 1.148 445 Y CB -0.191 38.180 38.460 -0.149 0.000 0.981 445 Y HN -0.031 nan 8.280 nan 0.000 0.507 446 N N -0.663 117.765 118.700 -0.453 0.000 2.171 446 N HA -0.179 4.561 4.740 0.000 0.000 0.184 446 N C 1.255 176.298 175.510 -0.779 0.000 1.021 446 N CA 1.695 54.230 53.050 -0.859 0.000 0.854 446 N CB -0.415 37.224 38.487 -1.413 0.000 0.994 446 N HN 0.485 nan 8.380 nan 0.000 0.426 447 W N 0.021 121.116 121.300 -0.342 0.000 3.278 447 W HA 0.394 5.054 4.660 0.000 0.000 0.308 447 W C 0.627 177.009 176.519 -0.229 0.000 1.253 447 W CA 0.472 57.661 57.345 -0.260 0.000 1.759 447 W CB -0.241 29.095 29.460 -0.207 0.000 1.093 447 W HN 0.235 nan 8.180 nan 0.000 0.648 448 G N 2.170 110.909 108.800 -0.101 0.000 2.248 448 G HA2 -0.278 3.683 3.960 0.000 0.000 0.252 448 G HA3 -0.278 3.683 3.960 0.000 0.000 0.252 448 G C -0.562 174.293 174.900 -0.075 0.000 1.085 448 G CA -0.345 44.683 45.100 -0.119 0.000 0.845 448 G HN 0.169 nan 8.290 nan 0.000 0.494 449 I N 0.123 120.649 120.570 -0.074 0.000 2.603 449 I HA 0.677 4.847 4.170 0.000 0.000 0.300 449 I C 1.229 177.260 176.117 -0.144 0.000 1.017 449 I CA -0.494 60.737 61.300 -0.115 0.000 1.098 449 I CB 1.886 39.801 38.000 -0.142 0.000 1.279 449 I HN 0.198 nan 8.210 nan 0.000 0.437 450 G N 2.023 110.711 108.800 -0.186 0.000 2.509 450 G HA2 0.256 4.217 3.960 0.000 0.000 0.269 450 G HA3 0.256 4.217 3.960 0.000 0.000 0.269 450 G C -0.274 174.487 174.900 -0.232 0.000 1.416 450 G CA -0.390 44.615 45.100 -0.159 0.000 1.052 450 G HN 0.526 nan 8.290 nan 0.000 0.542 451 S N -1.337 114.266 115.700 -0.163 0.000 2.560 451 S HA 0.073 4.543 4.470 0.000 0.000 0.284 451 S C 1.708 176.184 174.600 -0.206 0.000 1.327 451 S CA -0.022 58.091 58.200 -0.144 0.000 1.055 451 S CB 0.999 64.150 63.200 -0.082 0.000 0.868 451 S HN 1.151 nan 8.310 nan 0.000 0.506 452 V N 2.462 122.285 119.914 -0.151 0.000 2.667 452 V HA 0.243 4.363 4.120 0.000 0.000 0.252 452 V C 0.702 176.946 176.094 0.251 0.000 1.065 452 V CA 1.193 63.472 62.300 -0.035 0.000 1.083 452 V CB -1.373 30.504 31.823 0.091 0.000 0.692 452 V HN 0.989 nan 8.190 nan 0.000 0.468 453 S N -0.616 115.172 115.700 0.147 0.000 2.615 453 S HA 0.328 4.798 4.470 0.000 0.000 0.268 453 S C 0.306 174.929 174.600 0.039 0.000 1.146 453 S CA -0.270 58.009 58.200 0.131 0.000 0.818 453 S CB 1.386 64.728 63.200 0.236 0.000 1.111 453 S HN 0.515 nan 8.310 nan 0.000 0.465 454 K N -0.089 120.244 120.400 -0.111 0.000 2.442 454 K HA -0.042 4.278 4.320 0.000 0.000 0.198 454 K C 0.648 177.193 176.600 -0.091 0.000 1.042 454 K CA 1.271 57.460 56.287 -0.164 0.000 0.958 454 K CB -0.632 31.681 32.500 -0.311 0.000 0.766 454 K HN 0.704 nan 8.250 nan 0.000 0.474 455 Y N 1.168 121.564 120.300 0.159 0.000 2.500 455 Y HA 0.145 4.696 4.550 0.001 0.000 0.270 455 Y C 1.189 177.071 175.900 -0.030 0.000 1.134 455 Y CA -0.403 57.772 58.100 0.125 0.000 1.293 455 Y CB 0.556 39.079 38.460 0.105 0.000 1.063 455 Y HN -0.015 nan 8.280 nan 0.000 0.534 456 S N 0.715 116.535 115.700 0.200 0.000 2.565 456 S HA 0.033 4.503 4.470 0.000 0.000 0.274 456 S C 0.959 175.694 174.600 0.226 0.000 1.309 456 S CA -0.499 57.774 58.200 0.123 0.000 1.043 456 S CB 0.567 63.838 63.200 0.118 0.000 0.939 456 S HN 0.376 nan 8.310 nan 0.000 0.504 457 N N 2.246 121.063 118.700 0.195 0.000 2.461 457 N HA -0.061 4.680 4.740 0.000 0.000 0.188 457 N C 1.073 176.752 175.510 0.280 0.000 1.134 457 N CA 0.935 54.255 53.050 0.449 0.000 0.878 457 N CB -0.075 38.653 38.487 0.402 0.000 0.972 457 N HN 0.757 nan 8.380 nan 0.000 0.456 458 D N 0.865 121.351 120.400 0.143 0.000 2.158 458 D HA -0.292 4.349 4.640 0.000 0.000 0.197 458 D C 1.407 177.713 176.300 0.011 0.000 0.995 458 D CA 1.483 55.530 54.000 0.078 0.000 0.846 458 D CB -0.596 40.227 40.800 0.039 0.000 0.941 458 D HN 0.567 nan 8.370 nan 0.000 0.456 459 K N -0.652 119.679 120.400 -0.115 0.000 2.362 459 K HA -0.148 4.172 4.320 0.000 0.000 0.200 459 K C 0.868 177.229 176.600 -0.398 0.000 1.046 459 K CA 0.900 57.000 56.287 -0.311 0.000 0.952 459 K CB -0.440 31.780 32.500 -0.466 0.000 0.753 459 K HN 0.241 nan 8.250 nan 0.000 0.466 460 Y N 1.129 121.506 120.300 0.128 0.000 2.467 460 Y HA 0.307 4.857 4.550 0.000 0.000 0.250 460 Y C 0.173 176.153 175.900 0.134 0.000 1.155 460 Y CA -0.690 57.481 58.100 0.118 0.000 1.249 460 Y CB 0.751 39.288 38.460 0.128 0.000 1.146 460 Y HN -0.099 nan 8.280 nan 0.000 0.524 461 S N 1.426 117.254 115.700 0.213 0.000 2.525 461 S HA 0.224 4.694 4.470 0.000 0.000 0.278 461 S C 0.027 174.694 174.600 0.112 0.000 1.234 461 S CA -0.877 57.427 58.200 0.172 0.000 1.058 461 S CB 0.481 63.769 63.200 0.147 0.000 0.983 461 S HN 0.218 nan 8.310 nan 0.000 0.495 462 N N 2.879 121.636 118.700 0.095 0.000 2.482 462 N HA 0.129 4.869 4.740 0.000 0.000 0.260 462 N C 0.178 175.719 175.510 0.050 0.000 1.236 462 N CA -0.146 52.940 53.050 0.060 0.000 0.938 462 N CB 0.256 38.775 38.487 0.053 0.000 1.128 462 N HN 0.524 nan 8.380 nan 0.000 0.448 463 N N 0.688 119.401 118.700 0.022 0.000 2.327 463 N HA 0.185 4.926 4.740 0.000 0.000 0.257 463 N C 0.684 176.215 175.510 0.036 0.000 1.281 463 N CA -0.252 52.817 53.050 0.032 0.000 0.942 463 N CB 0.549 38.983 38.487 -0.088 0.000 1.199 463 N HN 0.555 nan 8.380 nan 0.000 0.532 464 I N -0.793 119.818 120.570 0.069 0.000 3.914 464 I HA 0.204 4.374 4.170 0.000 0.000 0.333 464 I C 0.778 176.889 176.117 -0.010 0.000 1.449 464 I CA -0.117 61.171 61.300 -0.020 0.000 1.135 464 I CB 0.004 37.938 38.000 -0.109 0.000 1.073 464 I HN 0.247 nan 8.210 nan 0.000 0.401 465 L N 0.795 122.063 121.223 0.075 0.000 2.275 465 L HA -0.063 4.277 4.340 0.000 0.000 0.215 465 L C 2.025 178.911 176.870 0.026 0.000 1.119 465 L CA 1.004 55.941 54.840 0.163 0.000 0.790 465 L CB -0.797 41.332 42.059 0.117 0.000 0.919 465 L HN 0.394 nan 8.230 nan 0.000 0.443 466 N N 0.275 118.953 118.700 -0.035 0.000 2.550 466 N HA -0.094 4.646 4.740 0.000 0.000 0.186 466 N C 1.617 177.018 175.510 -0.181 0.000 1.110 466 N CA 0.836 53.843 53.050 -0.071 0.000 0.912 466 N CB 0.029 38.523 38.487 0.011 0.000 0.968 466 N HN 0.296 nan 8.380 nan 0.000 0.448 467 M N -1.231 118.210 119.600 -0.265 0.000 2.502 467 M HA 0.138 4.619 4.480 0.000 0.000 0.243 467 M C -0.550 175.386 176.300 -0.607 0.000 1.130 467 M CA 0.303 55.355 55.300 -0.413 0.000 1.055 467 M CB 0.287 32.602 32.600 -0.476 0.000 1.457 467 M HN -0.061 nan 8.290 nan 0.000 0.488 468 F N 0.002 119.721 119.950 -0.385 0.000 2.492 468 F HA 0.332 4.859 4.527 0.001 0.000 0.327 468 F C 0.085 175.522 175.800 -0.605 0.000 1.079 468 F CA -1.160 56.482 58.000 -0.596 0.000 0.967 468 F CB 1.169 39.502 39.000 -1.111 0.000 1.169 468 F HN -0.200 nan 8.300 nan 0.000 0.472 469 D N 2.480 122.699 120.400 -0.301 0.000 2.440 469 D HA 0.217 4.857 4.640 0.000 0.000 0.252 469 D C -0.187 176.043 176.300 -0.118 0.000 1.180 469 D CA -0.343 53.527 54.000 -0.217 0.000 0.894 469 D CB 0.499 41.218 40.800 -0.134 0.000 1.111 469 D HN 0.256 nan 8.370 nan 0.000 0.544 470 F N 1.663 121.659 119.950 0.077 0.000 2.811 470 F HA 0.153 4.680 4.527 0.000 0.000 0.301 470 F C 1.840 177.671 175.800 0.052 0.000 1.151 470 F CA -0.026 57.986 58.000 0.020 0.000 1.412 470 F CB -0.035 38.865 39.000 -0.167 0.000 1.113 470 F HN 0.281 nan 8.300 nan 0.000 0.579 471 N N 0.572 119.376 118.700 0.173 0.000 2.388 471 N HA -0.023 4.717 4.740 0.000 0.000 0.176 471 N C 0.556 176.119 175.510 0.087 0.000 1.062 471 N CA 0.138 53.256 53.050 0.113 0.000 0.895 471 N CB 0.057 38.587 38.487 0.072 0.000 1.018 471 N HN 0.345 nan 8.380 nan 0.000 0.456 472 K N 1.130 121.577 120.400 0.078 0.000 2.414 472 K HA 0.227 4.547 4.320 0.000 0.000 0.272 472 K C 0.937 177.572 176.600 0.059 0.000 0.993 472 K CA 0.395 56.711 56.287 0.049 0.000 0.964 472 K CB 0.564 33.078 32.500 0.023 0.000 0.925 472 K HN 0.017 nan 8.250 nan 0.000 0.487 473 E N 2.233 122.456 120.200 0.037 0.000 2.216 473 E HA -0.072 4.278 4.350 0.000 0.000 0.192 473 E C 0.385 176.999 176.600 0.024 0.000 0.988 473 E CA 0.924 57.345 56.400 0.034 0.000 0.834 473 E CB 0.039 29.754 29.700 0.025 0.000 0.772 473 E HN 0.662 nan 8.360 nan 0.000 0.479 474 Q N 1.013 120.822 119.800 0.015 0.000 2.307 474 Q HA 0.403 4.743 4.340 0.000 0.000 0.262 474 Q C -0.577 175.417 176.000 -0.010 0.000 0.961 474 Q CA -0.939 54.867 55.803 0.004 0.000 0.882 474 Q CB 1.623 30.363 28.738 0.005 0.000 1.264 474 Q HN 0.410 nan 8.270 nan 0.000 0.446 475 K N 1.286 121.668 120.400 -0.030 0.000 2.355 475 K HA 0.220 4.541 4.320 0.000 0.000 0.270 475 K C 0.252 176.846 176.600 -0.010 0.000 1.003 475 K CA -0.047 56.197 56.287 -0.073 0.000 0.957 475 K CB 0.519 32.951 32.500 -0.113 0.000 0.939 475 K HN 0.612 nan 8.250 nan 0.000 0.482 476 T N 3.264 117.822 114.554 0.006 0.000 2.870 476 T HA 0.154 4.504 4.350 0.000 0.000 0.300 476 T C 0.827 175.645 174.700 0.197 0.000 0.989 476 T CA -0.350 61.793 62.100 0.072 0.000 1.139 476 T CB 0.204 69.143 68.868 0.118 0.000 0.920 476 T HN 0.230 nan 8.240 nan 0.000 0.537 477 L N 2.992 124.287 121.223 0.121 0.000 2.464 477 L HA 0.292 4.632 4.340 0.000 0.000 0.264 477 L C 1.059 178.109 176.870 0.301 0.000 1.199 477 L CA -0.637 54.304 54.840 0.169 0.000 0.818 477 L CB 0.305 42.396 42.059 0.053 0.000 1.102 477 L HN 0.512 nan 8.230 nan 0.000 0.473 478 K N 1.577 122.122 120.400 0.242 0.000 2.319 478 K HA 0.283 4.604 4.320 0.000 0.000 0.265 478 K C -0.741 175.950 176.600 0.151 0.000 1.000 478 K CA -0.380 55.971 56.287 0.106 0.000 0.943 478 K CB 0.616 33.010 32.500 -0.176 0.000 0.950 478 K HN 0.204 nan 8.250 nan 0.000 0.485 479 L N 3.981 125.338 121.223 0.224 0.000 2.388 479 L HA 0.315 4.656 4.340 0.000 0.000 0.267 479 L C -1.357 175.581 176.870 0.113 0.000 0.995 479 L CA -0.446 54.518 54.840 0.206 0.000 0.864 479 L CB 0.925 43.234 42.059 0.416 0.000 1.216 479 L HN 0.439 nan 8.230 nan 0.000 0.430 480 I N 6.130 126.717 120.570 0.028 0.000 2.315 480 I HA 0.358 4.528 4.170 0.000 0.000 0.291 480 I C -0.055 176.056 176.117 -0.010 0.000 1.006 480 I CA -0.231 61.064 61.300 -0.008 0.000 1.265 480 I CB 0.945 38.922 38.000 -0.038 0.000 1.387 480 I HN 0.533 nan 8.210 nan 0.000 0.475 481 L N 4.385 125.599 121.223 -0.015 0.000 2.303 481 L HA 0.478 4.818 4.340 0.000 0.000 0.266 481 L C 0.120 176.970 176.870 -0.033 0.000 1.011 481 L CA -0.994 53.825 54.840 -0.036 0.000 0.818 481 L CB 1.860 43.872 42.059 -0.078 0.000 1.326 481 L HN 0.410 nan 8.230 nan 0.000 0.435 482 D N 2.505 122.883 120.400 -0.035 0.000 2.325 482 D HA 0.120 4.760 4.640 0.000 0.000 0.251 482 D C -1.660 174.622 176.300 -0.030 0.000 1.196 482 D CA -1.863 52.118 54.000 -0.031 0.000 0.866 482 D CB 1.601 42.384 40.800 -0.029 0.000 1.101 482 D HN 0.197 nan 8.370 nan 0.000 0.476 483 P HA -0.132 nan 4.420 nan 0.000 0.222 483 P C 0.821 178.112 177.300 -0.015 0.000 1.147 483 P CA 0.753 63.844 63.100 -0.015 0.000 0.790 483 P CB 0.480 32.174 31.700 -0.010 0.000 0.780 484 K N -0.479 119.908 120.400 -0.021 0.000 2.305 484 K HA 0.038 4.359 4.320 0.000 0.000 0.199 484 K C 1.817 178.395 176.600 -0.037 0.000 1.047 484 K CA 1.602 57.874 56.287 -0.025 0.000 0.976 484 K CB -0.623 31.863 32.500 -0.023 0.000 0.765 484 K HN 0.337 nan 8.250 nan 0.000 0.474 485 T N -5.085 109.445 114.554 -0.039 0.000 2.966 485 T HA 0.214 4.565 4.350 0.000 0.000 0.254 485 T C 1.364 176.029 174.700 -0.057 0.000 0.961 485 T CA 0.658 62.730 62.100 -0.046 0.000 0.915 485 T CB 0.571 69.419 68.868 -0.034 0.000 1.186 485 T HN 0.183 nan 8.240 nan 0.000 0.505 486 G N 1.881 110.646 108.800 -0.059 0.000 2.166 486 G HA2 -0.226 3.734 3.960 0.000 0.000 0.260 486 G HA3 -0.226 3.734 3.960 0.000 0.000 0.260 486 G C -0.027 174.835 174.900 -0.063 0.000 0.986 486 G CA 0.584 45.637 45.100 -0.079 0.000 0.683 486 G HN 0.679 nan 8.290 nan 0.000 0.527 487 L N 0.243 121.443 121.223 -0.038 0.000 2.421 487 L HA 0.501 4.841 4.340 0.000 0.000 0.263 487 L C 1.323 178.176 176.870 -0.028 0.000 1.122 487 L CA -1.245 53.583 54.840 -0.019 0.000 0.804 487 L CB 1.208 43.259 42.059 -0.013 0.000 1.150 487 L HN -0.060 nan 8.230 nan 0.000 0.457 488 V N 2.238 122.139 119.914 -0.021 0.000 2.617 488 V HA -0.105 4.016 4.120 0.000 0.000 0.304 488 V C 0.633 176.713 176.094 -0.022 0.000 1.040 488 V CA 0.084 62.371 62.300 -0.021 0.000 1.149 488 V CB 0.598 32.411 31.823 -0.017 0.000 0.914 488 V HN 0.672 nan 8.190 nan 0.000 0.487 489 M N 0.000 119.586 119.600 -0.023 0.000 2.572 489 M HA 0.000 4.480 4.480 0.000 0.000 0.227 489 M CA 0.000 55.286 55.300 -0.024 0.000 0.988 489 M CB 0.000 32.584 32.600 -0.027 0.000 1.302 489 M HN 0.000 nan 8.290 nan 0.000 0.411