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 2avt_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIQFSINRTL FIHALNTTKR AISTKNAIPI LSSIKIEVTS TGVTLTGSNG DATA SEQUENCE QISIENTIPV XXXXXGLLIT SPGAILLEAS FFINIISSLP DISINVKEIE DATA SEQUENCE QHQVVLTSGK SEITLKGKDV DQYPRLQEVS TENPLILKTK LLKSIIAETA DATA SEQUENCE FAASLQESRP ILTGVHIVLS NHKDFKAVAT DSHRMSQRLI TLDNTSADFM DATA SEQUENCE VVLPSKSLRE FSAVFTDDIE TVEVFFSPSQ ILFRSEHISF YTRLLEGNYP DATA SEQUENCE DTDRLLMTEF ETEVVFNTQS LRHAMERAFL ISNATQNGTV KLEITQNHIS DATA SEQUENCE AHVNSPEVGK VNEDLDIVSQ SGSDLTISFN PTYLIESLKA IKSETVKIHF DATA SEQUENCE LSPVRPFTLT PGDEEESFIQ LITPVRT 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.314 176.300 0.023 0.000 1.140 1 M CA 0.000 55.301 55.300 0.001 0.000 0.988 1 M CB 0.000 32.589 32.600 -0.018 0.000 1.302 2 I N 1.856 122.451 120.570 0.042 0.000 2.815 2 I HA 0.029 4.199 4.170 0.000 0.000 0.291 2 I C -0.039 176.126 176.117 0.079 0.000 1.209 2 I CA 0.872 62.228 61.300 0.093 0.000 1.431 2 I CB 0.333 38.414 38.000 0.136 0.000 1.351 2 I HN 0.598 nan 8.210 nan 0.000 0.585 3 Q N 7.226 127.108 119.800 0.137 0.000 2.476 3 Q HA 0.459 4.799 4.340 0.000 0.000 0.236 3 Q C -1.737 174.365 176.000 0.170 0.000 0.844 3 Q CA -0.548 55.296 55.803 0.068 0.000 0.972 3 Q CB 1.166 29.920 28.738 0.027 0.000 1.498 3 Q HN 0.520 nan 8.270 nan 0.000 0.454 4 F N -0.170 119.751 119.950 -0.048 0.000 2.693 4 F HA 0.862 5.389 4.527 -0.000 0.000 0.309 4 F C -1.486 174.264 175.800 -0.083 0.000 1.129 4 F CA -0.815 57.143 58.000 -0.070 0.000 0.948 4 F CB 1.410 40.353 39.000 -0.095 0.000 1.315 4 F HN 0.207 nan 8.300 nan 0.000 0.447 5 S N 2.619 118.355 115.700 0.060 0.000 2.503 5 S HA 0.829 5.299 4.470 0.000 0.000 0.301 5 S C -1.168 173.470 174.600 0.063 0.000 1.087 5 S CA -0.671 57.504 58.200 -0.042 0.000 1.042 5 S CB 1.607 64.790 63.200 -0.028 0.000 1.043 5 S HN 0.813 nan 8.310 nan 0.000 0.489 6 I N 2.101 122.666 120.570 -0.008 0.000 3.006 6 I HA 0.383 4.553 4.170 0.000 0.000 0.306 6 I C -1.156 174.959 176.117 -0.003 0.000 1.250 6 I CA -0.792 60.508 61.300 0.001 0.000 0.996 6 I CB 1.904 39.866 38.000 -0.063 0.000 1.261 6 I HN 0.571 nan 8.210 nan 0.000 0.442 7 N N 5.271 123.981 118.700 0.016 0.000 2.497 7 N HA 0.099 4.839 4.740 0.000 0.000 0.268 7 N C 0.721 176.275 175.510 0.072 0.000 1.171 7 N CA 0.276 53.346 53.050 0.033 0.000 0.948 7 N CB 1.347 39.854 38.487 0.033 0.000 1.069 7 N HN 0.731 nan 8.380 nan 0.000 0.460 8 R N 2.473 123.009 120.500 0.059 0.000 2.080 8 R HA -0.129 4.211 4.340 0.000 0.000 0.236 8 R C 1.363 177.687 176.300 0.039 0.000 1.137 8 R CA 2.048 58.190 56.100 0.070 0.000 0.943 8 R CB -0.330 29.976 30.300 0.010 0.000 0.846 8 R HN 0.626 nan 8.270 nan 0.000 0.431 9 T N 1.662 116.217 114.554 0.002 0.000 2.720 9 T HA -0.165 4.185 4.350 0.000 0.000 0.268 9 T C 1.689 176.389 174.700 0.001 0.000 1.037 9 T CA 1.402 63.467 62.100 -0.059 0.000 1.144 9 T CB -0.220 68.650 68.868 0.004 0.000 0.864 9 T HN 0.192 nan 8.240 nan 0.000 0.444 10 L N 0.452 121.743 121.223 0.113 0.000 2.017 10 L HA -0.003 4.337 4.340 0.000 0.000 0.208 10 L C 2.050 179.049 176.870 0.214 0.000 1.073 10 L CA 1.693 56.635 54.840 0.170 0.000 0.745 10 L CB -0.739 41.386 42.059 0.110 0.000 0.894 10 L HN 0.143 nan 8.230 nan 0.000 0.432 11 F N 0.443 120.399 119.950 0.011 0.000 2.095 11 F HA -0.244 4.283 4.527 -0.000 0.000 0.298 11 F C 2.335 178.119 175.800 -0.027 0.000 1.104 11 F CA 1.756 59.767 58.000 0.018 0.000 1.232 11 F CB -0.681 38.339 39.000 0.032 0.000 0.987 11 F HN 0.102 nan 8.300 nan 0.000 0.475 12 I N -0.763 119.779 120.570 -0.046 0.000 2.163 12 I HA -0.378 3.792 4.170 0.000 0.000 0.243 12 I C 2.626 178.648 176.117 -0.158 0.000 1.085 12 I CA 1.428 62.589 61.300 -0.231 0.000 1.347 12 I CB -0.716 37.106 38.000 -0.296 0.000 1.044 12 I HN 0.158 nan 8.210 nan 0.000 0.408 13 H N 0.646 119.708 119.070 -0.013 0.000 2.319 13 H HA -0.121 4.435 4.556 -0.000 0.000 0.299 13 H C 2.350 177.670 175.328 -0.014 0.000 1.092 13 H CA 1.742 57.780 56.048 -0.016 0.000 1.302 13 H CB -0.406 29.353 29.762 -0.005 0.000 1.373 13 H HN 0.377 nan 8.280 nan 0.000 0.497 14 A N 0.834 123.741 122.820 0.145 0.000 1.930 14 A HA -0.073 4.247 4.320 0.000 0.000 0.217 14 A C 2.762 180.377 177.584 0.051 0.000 1.175 14 A CA 0.885 52.981 52.037 0.098 0.000 0.627 14 A CB -0.752 18.334 19.000 0.144 0.000 0.815 14 A HN 0.266 nan 8.150 nan 0.000 0.443 15 L N -0.311 120.907 121.223 -0.008 0.000 2.056 15 L HA -0.174 4.166 4.340 0.000 0.000 0.207 15 L C 2.134 178.980 176.870 -0.040 0.000 1.078 15 L CA 1.149 55.947 54.840 -0.069 0.000 0.749 15 L CB -0.553 41.350 42.059 -0.260 0.000 0.901 15 L HN 0.334 nan 8.230 nan 0.000 0.433 16 N N -0.783 117.892 118.700 -0.042 0.000 2.309 16 N HA -0.125 4.615 4.740 0.000 0.000 0.182 16 N C 1.771 177.282 175.510 0.002 0.000 1.018 16 N CA 1.467 54.505 53.050 -0.020 0.000 0.876 16 N CB -0.333 38.146 38.487 -0.013 0.000 0.972 16 N HN 0.285 nan 8.380 nan 0.000 0.434 17 T N -0.004 114.553 114.554 0.005 0.000 2.770 17 T HA -0.042 4.308 4.350 0.000 0.000 0.263 17 T C 1.868 176.571 174.700 0.007 0.000 1.039 17 T CA 1.379 63.472 62.100 -0.011 0.000 1.142 17 T CB -0.393 68.453 68.868 -0.038 0.000 0.868 17 T HN 0.268 nan 8.240 nan 0.000 0.435 18 T N 1.723 116.288 114.554 0.018 0.000 2.821 18 T HA -0.071 4.279 4.350 0.000 0.000 0.267 18 T C 1.949 176.675 174.700 0.043 0.000 1.046 18 T CA 1.119 63.240 62.100 0.036 0.000 1.139 18 T CB -0.204 68.686 68.868 0.038 0.000 0.871 18 T HN 0.190 nan 8.240 nan 0.000 0.454 19 K N 1.383 121.803 120.400 0.033 0.000 2.360 19 K HA -0.026 4.294 4.320 0.000 0.000 0.201 19 K C 2.107 178.736 176.600 0.048 0.000 1.046 19 K CA 0.765 57.075 56.287 0.038 0.000 0.945 19 K CB -0.117 32.397 32.500 0.022 0.000 0.750 19 K HN 0.069 nan 8.250 nan 0.000 0.464 20 R N -0.297 120.235 120.500 0.053 0.000 2.152 20 R HA -0.013 4.327 4.340 0.000 0.000 0.232 20 R C 1.595 177.948 176.300 0.089 0.000 1.117 20 R CA 1.223 57.365 56.100 0.071 0.000 0.981 20 R CB -0.650 29.700 30.300 0.083 0.000 0.870 20 R HN 0.256 nan 8.270 nan 0.000 0.451 21 A N 0.571 123.439 122.820 0.081 0.000 2.337 21 A HA 0.259 4.579 4.320 0.000 0.000 0.227 21 A C 0.671 178.291 177.584 0.060 0.000 1.259 21 A CA -0.161 51.914 52.037 0.064 0.000 0.870 21 A CB 0.110 19.134 19.000 0.040 0.000 0.927 21 A HN 0.060 nan 8.150 nan 0.000 0.497 22 I N 0.802 121.410 120.570 0.063 0.000 2.382 22 I HA 0.202 4.372 4.170 0.000 0.000 0.286 22 I C -0.169 175.982 176.117 0.056 0.000 1.002 22 I CA -0.374 60.964 61.300 0.064 0.000 1.135 22 I CB 1.854 39.895 38.000 0.070 0.000 1.288 22 I HN -0.039 nan 8.210 nan 0.000 0.448 23 S N 3.284 119.014 115.700 0.051 0.000 2.585 23 S HA 0.107 4.577 4.470 0.000 0.000 0.273 23 S C 1.308 175.934 174.600 0.043 0.000 1.339 23 S CA -0.365 57.862 58.200 0.044 0.000 1.028 23 S CB 1.418 64.640 63.200 0.037 0.000 0.906 23 S HN 0.656 nan 8.310 nan 0.000 0.528 24 T N 2.508 117.086 114.554 0.039 0.000 2.770 24 T HA 0.004 4.354 4.350 0.000 0.000 0.263 24 T C 0.496 175.215 174.700 0.031 0.000 1.039 24 T CA 1.181 63.303 62.100 0.036 0.000 1.142 24 T CB 0.014 68.901 68.868 0.033 0.000 0.868 24 T HN 0.391 nan 8.240 nan 0.000 0.435 25 K N 2.066 122.482 120.400 0.028 0.000 2.164 25 K HA 0.415 4.735 4.320 0.000 0.000 0.258 25 K C -0.824 175.788 176.600 0.020 0.000 0.951 25 K CA -0.555 55.745 56.287 0.022 0.000 0.844 25 K CB 1.211 33.723 32.500 0.019 0.000 1.099 25 K HN 0.095 nan 8.250 nan 0.000 0.435 26 N N 1.158 119.867 118.700 0.015 0.000 2.410 26 N HA 0.157 4.897 4.740 0.000 0.000 0.287 26 N C 0.027 175.538 175.510 0.002 0.000 1.044 26 N CA -0.167 52.889 53.050 0.010 0.000 0.881 26 N CB 2.092 40.587 38.487 0.014 0.000 1.405 26 N HN 0.644 nan 8.380 nan 0.000 0.490 27 A N 2.656 125.475 122.820 -0.002 0.000 1.929 27 A HA 0.105 4.425 4.320 0.000 0.000 0.216 27 A C 0.918 178.494 177.584 -0.014 0.000 1.176 27 A CA 0.854 52.887 52.037 -0.006 0.000 0.628 27 A CB -0.099 18.898 19.000 -0.006 0.000 0.816 27 A HN 0.660 nan 8.150 nan 0.000 0.444 28 I N 0.635 121.192 120.570 -0.022 0.000 2.287 28 I HA 0.161 4.331 4.170 0.000 0.000 0.290 28 I C -1.818 174.283 176.117 -0.027 0.000 1.069 28 I CA -1.869 59.409 61.300 -0.036 0.000 1.237 28 I CB 1.553 39.518 38.000 -0.060 0.000 1.418 28 I HN 0.071 nan 8.210 nan 0.000 0.481 29 P HA -0.235 nan 4.420 nan 0.000 0.216 29 P C 1.718 179.021 177.300 0.005 0.000 1.154 29 P CA 1.184 64.280 63.100 -0.006 0.000 0.865 29 P CB 0.276 31.971 31.700 -0.008 0.000 0.789 30 I N -1.212 119.355 120.570 -0.005 0.000 2.700 30 I HA -0.155 4.015 4.170 0.000 0.000 0.261 30 I C 1.694 177.854 176.117 0.072 0.000 1.219 30 I CA 1.161 62.477 61.300 0.027 0.000 1.463 30 I CB -0.720 37.279 38.000 -0.002 0.000 1.092 30 I HN -0.130 nan 8.210 nan 0.000 0.452 31 L N -0.230 121.004 121.223 0.018 0.000 2.552 31 L HA -0.052 4.288 4.340 0.000 0.000 0.227 31 L C 2.263 179.198 176.870 0.109 0.000 1.146 31 L CA 0.926 55.802 54.840 0.060 0.000 0.858 31 L CB -0.734 41.317 42.059 -0.013 0.000 0.969 31 L HN 0.384 nan 8.230 nan 0.000 0.451 32 S N -1.538 114.213 115.700 0.084 0.000 2.522 32 S HA -0.022 4.448 4.470 0.000 0.000 0.227 32 S C 1.050 175.709 174.600 0.098 0.000 0.986 32 S CA 0.012 58.259 58.200 0.079 0.000 0.929 32 S CB -0.313 62.920 63.200 0.056 0.000 0.769 32 S HN 0.423 nan 8.310 nan 0.000 0.529 33 S N 0.886 116.660 115.700 0.124 0.000 2.646 33 S HA 0.669 5.140 4.470 0.000 0.000 0.276 33 S C -0.452 174.180 174.600 0.053 0.000 1.222 33 S CA -0.997 57.259 58.200 0.093 0.000 1.014 33 S CB 0.971 64.219 63.200 0.080 0.000 0.991 33 S HN 0.442 nan 8.310 nan 0.000 0.533 34 I N 0.947 121.508 120.570 -0.015 0.000 2.392 34 I HA 0.471 4.641 4.170 0.000 0.000 0.295 34 I C -0.285 175.717 176.117 -0.191 0.000 0.985 34 I CA -0.784 60.472 61.300 -0.073 0.000 1.221 34 I CB 1.221 39.221 38.000 -0.000 0.000 1.366 34 I HN 0.800 nan 8.210 nan 0.000 0.467 35 K N 8.217 128.431 120.400 -0.310 0.000 2.183 35 K HA 0.533 4.853 4.320 0.000 0.000 0.274 35 K C -1.413 175.079 176.600 -0.180 0.000 1.009 35 K CA -0.536 55.542 56.287 -0.349 0.000 0.888 35 K CB 0.953 33.067 32.500 -0.643 0.000 1.078 35 K HN 0.627 nan 8.250 nan 0.000 0.459 36 I N 4.138 124.634 120.570 -0.123 0.000 2.382 36 I HA 0.221 4.391 4.170 0.000 0.000 0.286 36 I C -0.663 175.429 176.117 -0.042 0.000 1.002 36 I CA -0.619 60.653 61.300 -0.046 0.000 1.135 36 I CB 1.823 39.829 38.000 0.010 0.000 1.288 36 I HN 0.576 nan 8.210 nan 0.000 0.448 37 E N 5.755 125.924 120.200 -0.051 0.000 2.165 37 E HA 0.469 4.819 4.350 0.000 0.000 0.266 37 E C -1.179 175.376 176.600 -0.076 0.000 0.889 37 E CA -0.701 55.671 56.400 -0.047 0.000 0.756 37 E CB 2.951 32.626 29.700 -0.042 0.000 1.131 37 E HN 0.244 nan 8.360 nan 0.000 0.411 38 V N 3.362 123.236 119.914 -0.068 0.000 2.370 38 V HA 0.341 4.461 4.120 0.000 0.000 0.283 38 V C 0.384 176.436 176.094 -0.070 0.000 1.023 38 V CA -0.425 61.804 62.300 -0.118 0.000 0.857 38 V CB 1.111 32.882 31.823 -0.086 0.000 0.985 38 V HN 0.834 nan 8.190 nan 0.000 0.443 39 T N 0.839 115.344 114.554 -0.082 0.000 2.883 39 T HA 0.342 4.692 4.350 0.000 0.000 0.284 39 T C 1.105 175.776 174.700 -0.049 0.000 1.041 39 T CA -0.119 61.952 62.100 -0.048 0.000 1.007 39 T CB 1.711 70.559 68.868 -0.034 0.000 1.220 39 T HN 0.318 nan 8.240 nan 0.000 0.552 40 S N 0.506 116.189 115.700 -0.028 0.000 2.419 40 S HA -0.067 4.403 4.470 0.000 0.000 0.233 40 S C 1.944 176.527 174.600 -0.028 0.000 1.016 40 S CA 1.666 59.853 58.200 -0.023 0.000 0.974 40 S CB -0.707 62.486 63.200 -0.012 0.000 0.786 40 S HN 0.992 nan 8.310 nan 0.000 0.492 41 T N -1.612 112.925 114.554 -0.028 0.000 3.069 41 T HA 0.561 4.911 4.350 0.000 0.000 0.252 41 T C 0.632 175.307 174.700 -0.042 0.000 1.053 41 T CA 0.290 62.376 62.100 -0.023 0.000 0.964 41 T CB 0.644 69.510 68.868 -0.003 0.000 1.005 41 T HN 0.464 nan 8.240 nan 0.000 0.532 42 G N 0.058 108.812 108.800 -0.077 0.000 2.320 42 G HA2 0.417 4.377 3.960 0.000 0.000 0.297 42 G HA3 0.417 4.377 3.960 0.000 0.000 0.297 42 G C -2.098 172.693 174.900 -0.182 0.000 1.344 42 G CA -0.660 44.368 45.100 -0.119 0.000 0.851 42 G HN 0.203 nan 8.290 nan 0.000 0.567 43 V N 1.033 120.804 119.914 -0.238 0.000 2.334 43 V HA 0.586 4.706 4.120 0.000 0.000 0.281 43 V C 0.109 176.118 176.094 -0.141 0.000 1.016 43 V CA -0.378 61.740 62.300 -0.304 0.000 0.832 43 V CB 1.246 32.725 31.823 -0.572 0.000 0.999 43 V HN 0.787 nan 8.190 nan 0.000 0.439 44 T N 7.223 121.722 114.554 -0.091 0.000 2.767 44 T HA 0.607 4.957 4.350 0.000 0.000 0.284 44 T C -0.247 174.446 174.700 -0.012 0.000 0.973 44 T CA -0.220 61.863 62.100 -0.029 0.000 0.996 44 T CB 0.631 69.491 68.868 -0.014 0.000 0.927 44 T HN 0.337 nan 8.240 nan 0.000 0.456 45 L N 3.381 124.616 121.223 0.021 0.000 2.307 45 L HA 0.578 4.918 4.340 0.000 0.000 0.284 45 L C 0.246 177.120 176.870 0.005 0.000 1.023 45 L CA -0.730 54.126 54.840 0.027 0.000 0.810 45 L CB 1.535 43.642 42.059 0.080 0.000 1.231 45 L HN 0.559 nan 8.230 nan 0.000 0.423 46 T N 1.483 116.007 114.554 -0.049 0.000 2.861 46 T HA 0.714 5.064 4.350 0.000 0.000 0.287 46 T C -0.057 174.603 174.700 -0.068 0.000 1.003 46 T CA -0.673 61.395 62.100 -0.053 0.000 0.977 46 T CB 2.020 70.826 68.868 -0.103 0.000 0.996 46 T HN 0.792 nan 8.240 nan 0.000 0.448 47 G N 1.124 109.940 108.800 0.027 0.000 2.667 47 G HA2 0.717 4.677 3.960 0.000 0.000 0.298 47 G HA3 0.717 4.677 3.960 0.000 0.000 0.298 47 G C -1.097 173.876 174.900 0.121 0.000 1.377 47 G CA -0.801 44.346 45.100 0.078 0.000 0.964 47 G HN 0.951 nan 8.290 nan 0.000 0.493 48 S N -0.429 115.367 115.700 0.161 0.000 2.547 48 S HA 0.555 5.025 4.470 0.000 0.000 0.270 48 S C -0.511 174.125 174.600 0.059 0.000 1.150 48 S CA -0.808 57.446 58.200 0.090 0.000 0.850 48 S CB 2.018 65.266 63.200 0.080 0.000 1.118 48 S HN 1.038 nan 8.310 nan 0.000 0.461 49 N N -0.308 118.405 118.700 0.021 0.000 2.305 49 N HA 0.371 5.111 4.740 0.000 0.000 0.248 49 N C 1.090 176.598 175.510 -0.002 0.000 1.290 49 N CA 0.197 53.256 53.050 0.016 0.000 0.873 49 N CB 0.461 38.965 38.487 0.029 0.000 1.261 49 N HN 1.700 nan 8.380 nan 0.000 0.504 50 G N 0.125 108.913 108.800 -0.021 0.000 2.284 50 G HA2 -0.407 3.553 3.960 0.000 0.000 0.247 50 G HA3 -0.407 3.553 3.960 0.000 0.000 0.247 50 G C 0.871 175.765 174.900 -0.009 0.000 1.012 50 G CA 0.769 45.854 45.100 -0.025 0.000 0.618 50 G HN 0.501 nan 8.290 nan 0.000 0.521 51 Q N 0.295 120.096 119.800 0.001 0.000 2.481 51 Q HA 0.516 4.857 4.340 0.000 0.000 0.219 51 Q C 1.398 177.397 176.000 -0.002 0.000 0.920 51 Q CA 1.187 56.999 55.803 0.015 0.000 0.915 51 Q CB 0.303 29.062 28.738 0.034 0.000 1.057 51 Q HN 1.013 nan 8.270 nan 0.000 0.581 52 I N -2.502 118.046 120.570 -0.037 0.000 3.002 52 I HA 0.766 4.936 4.170 0.000 0.000 0.310 52 I C -0.894 175.154 176.117 -0.114 0.000 1.087 52 I CA -1.097 60.120 61.300 -0.138 0.000 1.017 52 I CB 2.573 40.403 38.000 -0.284 0.000 1.226 52 I HN -0.217 nan 8.210 nan 0.000 0.443 53 S N 3.799 119.411 115.700 -0.146 0.000 2.548 53 S HA 0.666 5.136 4.470 0.000 0.000 0.276 53 S C -0.707 173.892 174.600 -0.002 0.000 1.129 53 S CA -0.488 57.691 58.200 -0.035 0.000 0.931 53 S CB 1.765 64.948 63.200 -0.028 0.000 1.068 53 S HN 0.496 nan 8.310 nan 0.000 0.480 54 I N 2.349 122.951 120.570 0.053 0.000 2.418 54 I HA 0.371 4.541 4.170 0.000 0.000 0.287 54 I C -0.373 175.819 176.117 0.125 0.000 1.008 54 I CA -0.351 61.022 61.300 0.122 0.000 1.104 54 I CB 1.864 39.935 38.000 0.120 0.000 1.264 54 I HN 0.523 nan 8.210 nan 0.000 0.438 55 E N 4.953 125.255 120.200 0.169 0.000 2.102 55 E HA 0.259 4.609 4.350 0.000 0.000 0.263 55 E C -1.004 175.661 176.600 0.109 0.000 0.894 55 E CA -0.595 55.884 56.400 0.131 0.000 0.746 55 E CB 1.521 31.325 29.700 0.173 0.000 1.129 55 E HN 0.334 nan 8.360 nan 0.000 0.416 56 N N 2.103 120.847 118.700 0.072 0.000 2.407 56 N HA 0.229 4.969 4.740 0.000 0.000 0.277 56 N C -1.456 174.089 175.510 0.058 0.000 0.995 56 N CA -0.263 52.822 53.050 0.060 0.000 0.903 56 N CB 1.485 39.992 38.487 0.032 0.000 1.218 56 N HN 0.124 nan 8.380 nan 0.000 0.487 57 T N 4.023 118.622 114.554 0.075 0.000 2.795 57 T HA 0.483 4.834 4.350 0.000 0.000 0.282 57 T C 0.380 175.069 174.700 -0.019 0.000 0.980 57 T CA -0.370 61.758 62.100 0.045 0.000 1.012 57 T CB 0.458 69.379 68.868 0.088 0.000 0.936 57 T HN 0.346 nan 8.240 nan 0.000 0.457 58 I N 6.537 127.066 120.570 -0.069 0.000 2.307 58 I HA 0.282 4.452 4.170 0.000 0.000 0.289 58 I C -1.939 174.086 176.117 -0.153 0.000 1.021 58 I CA -2.432 58.790 61.300 -0.129 0.000 1.224 58 I CB 1.426 39.369 38.000 -0.096 0.000 1.376 58 I HN 0.319 nan 8.210 nan 0.000 0.470 59 P HA 0.131 nan 4.420 nan 0.000 0.275 59 P C -0.049 177.191 177.300 -0.101 0.000 1.227 59 P CA -0.075 62.949 63.100 -0.127 0.000 0.781 59 P CB 1.705 33.313 31.700 -0.152 0.000 0.906 67 L N -0.359 120.856 121.223 -0.013 0.000 2.516 67 L HA 0.864 5.204 4.340 0.000 0.000 0.267 67 L C -1.933 174.936 176.870 -0.001 0.000 0.957 67 L CA -0.759 54.074 54.840 -0.012 0.000 0.860 67 L CB 1.874 43.894 42.059 -0.064 0.000 1.265 67 L HN 0.837 nan 8.230 nan 0.000 0.403 68 L N 6.229 127.472 121.223 0.034 0.000 2.376 68 L HA 0.674 5.014 4.340 0.000 0.000 0.275 68 L C -1.399 175.515 176.870 0.072 0.000 0.987 68 L CA -0.187 54.672 54.840 0.032 0.000 0.828 68 L CB 1.495 43.568 42.059 0.024 0.000 1.249 68 L HN 0.594 nan 8.230 nan 0.000 0.409 69 I N 4.966 125.561 120.570 0.042 0.000 2.336 69 I HA 0.329 4.499 4.170 0.000 0.000 0.292 69 I C 0.588 176.735 176.117 0.049 0.000 0.991 69 I CA -0.193 61.145 61.300 0.063 0.000 1.227 69 I CB 1.753 39.748 38.000 -0.009 0.000 1.366 69 I HN 0.677 nan 8.210 nan 0.000 0.466 70 T N 2.443 117.038 114.554 0.068 0.000 3.042 70 T HA 0.065 4.415 4.350 0.000 0.000 0.245 70 T C 0.470 175.190 174.700 0.034 0.000 1.029 70 T CA 0.354 62.477 62.100 0.040 0.000 1.120 70 T CB 0.290 69.178 68.868 0.032 0.000 0.917 70 T HN 0.542 nan 8.240 nan 0.000 0.467 71 S N 0.913 116.643 115.700 0.050 0.000 2.533 71 S HA 0.562 5.032 4.470 0.000 0.000 0.271 71 S C -3.020 171.607 174.600 0.045 0.000 1.143 71 S CA -1.411 56.811 58.200 0.037 0.000 0.891 71 S CB 1.630 64.847 63.200 0.029 0.000 1.105 71 S HN -0.151 nan 8.310 nan 0.000 0.468 72 P HA 0.646 nan 4.420 nan 0.000 0.274 72 P C -0.135 177.181 177.300 0.027 0.000 1.246 72 P CA 0.067 63.177 63.100 0.017 0.000 0.795 72 P CB 0.771 32.475 31.700 0.006 0.000 1.006 73 G N -1.111 107.703 108.800 0.023 0.000 2.316 73 G HA2 0.554 4.514 3.960 0.000 0.000 0.296 73 G HA3 0.554 4.514 3.960 0.000 0.000 0.296 73 G C -2.231 172.685 174.900 0.027 0.000 1.399 73 G CA 0.029 45.148 45.100 0.031 0.000 0.833 73 G HN 0.534 nan 8.290 nan 0.000 0.565 74 A N -0.399 122.442 122.820 0.035 0.000 2.517 74 A HA 0.887 5.207 4.320 0.000 0.000 0.297 74 A C -1.136 176.471 177.584 0.038 0.000 1.050 74 A CA -0.323 51.727 52.037 0.021 0.000 0.694 74 A CB 1.455 20.460 19.000 0.009 0.000 1.277 74 A HN 1.927 nan 8.150 nan 0.000 0.400 75 I N 1.467 122.040 120.570 0.005 0.000 3.004 75 I HA 0.564 4.734 4.170 0.000 0.000 0.305 75 I C -1.869 174.207 176.117 -0.069 0.000 1.312 75 I CA -1.094 60.209 61.300 0.004 0.000 0.992 75 I CB 1.911 39.927 38.000 0.027 0.000 1.282 75 I HN 0.652 nan 8.210 nan 0.000 0.449 76 L N 6.427 127.608 121.223 -0.070 0.000 2.329 76 L HA 0.644 4.984 4.340 0.000 0.000 0.279 76 L C -1.190 175.629 176.870 -0.086 0.000 1.014 76 L CA -0.673 54.108 54.840 -0.097 0.000 0.814 76 L CB 1.775 43.802 42.059 -0.053 0.000 1.257 76 L HN 0.415 nan 8.230 nan 0.000 0.424 77 L N 1.901 123.054 121.223 -0.116 0.000 2.409 77 L HA 0.422 4.762 4.340 0.000 0.000 0.262 77 L C -0.379 176.502 176.870 0.019 0.000 0.992 77 L CA -0.991 53.799 54.840 -0.083 0.000 0.817 77 L CB 2.497 44.367 42.059 -0.316 0.000 1.350 77 L HN 0.468 nan 8.230 nan 0.000 0.411 78 E N 1.317 121.594 120.200 0.127 0.000 2.415 78 E HA 0.040 4.390 4.350 0.000 0.000 0.260 78 E C 0.603 177.332 176.600 0.214 0.000 1.016 78 E CA 0.265 56.764 56.400 0.165 0.000 0.924 78 E CB 1.505 31.321 29.700 0.193 0.000 0.961 78 E HN 0.717 nan 8.360 nan 0.000 0.459 79 A N 3.925 126.837 122.820 0.153 0.000 1.842 79 A HA -0.236 4.084 4.320 0.000 0.000 0.217 79 A C 2.291 179.974 177.584 0.165 0.000 1.206 79 A CA 2.029 54.160 52.037 0.157 0.000 0.630 79 A CB -0.541 18.521 19.000 0.103 0.000 0.839 79 A HN 0.578 nan 8.150 nan 0.000 0.447 80 S N -1.266 114.516 115.700 0.137 0.000 2.374 80 S HA -0.166 4.304 4.470 0.000 0.000 0.227 80 S C 1.687 176.376 174.600 0.149 0.000 1.037 80 S CA 1.674 59.941 58.200 0.111 0.000 1.024 80 S CB -0.530 62.731 63.200 0.101 0.000 0.861 80 S HN 0.574 nan 8.310 nan 0.000 0.456 81 F N 1.492 121.474 119.950 0.055 0.000 2.113 81 F HA -0.053 4.474 4.527 0.000 0.000 0.297 81 F C 1.863 177.713 175.800 0.084 0.000 1.103 81 F CA 0.975 59.009 58.000 0.057 0.000 1.248 81 F CB -0.688 38.352 39.000 0.067 0.000 0.999 81 F HN 0.231 nan 8.300 nan 0.000 0.475 82 F N 0.947 120.824 119.950 -0.121 0.000 2.134 82 F HA -0.175 4.352 4.527 0.000 0.000 0.299 82 F C 2.105 177.757 175.800 -0.246 0.000 1.097 82 F CA 1.738 59.599 58.000 -0.231 0.000 1.264 82 F CB -0.781 38.166 39.000 -0.088 0.000 1.001 82 F HN 0.007 nan 8.300 nan 0.000 0.479 83 I N 0.310 120.713 120.570 -0.279 0.000 2.226 83 I HA -0.335 3.835 4.170 0.000 0.000 0.245 83 I C 2.028 177.937 176.117 -0.348 0.000 1.100 83 I CA 1.196 62.258 61.300 -0.397 0.000 1.374 83 I CB -0.655 37.227 38.000 -0.195 0.000 1.057 83 I HN 0.168 nan 8.210 nan 0.000 0.413 84 N N 1.112 119.669 118.700 -0.238 0.000 2.166 84 N HA -0.122 4.618 4.740 0.000 0.000 0.186 84 N C 1.919 177.269 175.510 -0.267 0.000 1.019 84 N CA 1.367 54.300 53.050 -0.195 0.000 0.856 84 N CB -0.257 38.170 38.487 -0.100 0.000 0.993 84 N HN 0.355 nan 8.380 nan 0.000 0.426 85 I N 1.008 121.343 120.570 -0.391 0.000 2.142 85 I HA -0.219 3.951 4.170 0.000 0.000 0.240 85 I C 1.979 177.888 176.117 -0.345 0.000 1.078 85 I CA 0.726 61.798 61.300 -0.380 0.000 1.343 85 I CB -0.125 37.591 38.000 -0.472 0.000 1.046 85 I HN 0.028 nan 8.210 nan 0.000 0.405 86 I N 0.410 120.679 120.570 -0.503 0.000 2.208 86 I HA -0.273 3.897 4.170 0.000 0.000 0.245 86 I C 2.557 178.502 176.117 -0.286 0.000 1.097 86 I CA 1.650 62.684 61.300 -0.443 0.000 1.363 86 I CB -1.232 36.335 38.000 -0.722 0.000 1.051 86 I HN 0.186 nan 8.210 nan 0.000 0.413 87 S N 0.688 116.217 115.700 -0.285 0.000 2.474 87 S HA -0.094 4.376 4.470 0.000 0.000 0.235 87 S C 1.930 176.442 174.600 -0.147 0.000 0.997 87 S CA 1.246 59.326 58.200 -0.199 0.000 0.949 87 S CB -0.230 62.860 63.200 -0.184 0.000 0.766 87 S HN 0.645 nan 8.310 nan 0.000 0.517 88 S N 0.558 116.167 115.700 -0.150 0.000 2.548 88 S HA 0.257 4.727 4.470 0.000 0.000 0.215 88 S C 0.468 175.013 174.600 -0.091 0.000 0.976 88 S CA -0.364 57.771 58.200 -0.108 0.000 0.908 88 S CB -0.400 62.737 63.200 -0.104 0.000 0.781 88 S HN 0.313 nan 8.310 nan 0.000 0.519 89 L N 2.863 124.025 121.223 -0.102 0.000 2.456 89 L HA 0.207 4.547 4.340 0.000 0.000 0.272 89 L C -0.652 176.184 176.870 -0.057 0.000 1.189 89 L CA -1.438 53.357 54.840 -0.076 0.000 0.846 89 L CB 0.378 42.392 42.059 -0.075 0.000 1.111 89 L HN 0.133 nan 8.230 nan 0.000 0.475 90 P HA -0.077 nan 4.420 nan 0.000 0.215 90 P C 0.012 177.295 177.300 -0.029 0.000 1.157 90 P CA 0.925 64.004 63.100 -0.034 0.000 0.859 90 P CB 0.217 31.900 31.700 -0.028 0.000 0.786 91 D N -1.129 119.255 120.400 -0.027 0.000 2.312 91 D HA 0.209 4.849 4.640 0.000 0.000 0.248 91 D C 1.621 177.910 176.300 -0.019 0.000 1.086 91 D CA -0.393 53.594 54.000 -0.022 0.000 0.948 91 D CB 0.686 41.474 40.800 -0.020 0.000 1.162 91 D HN -0.083 nan 8.370 nan 0.000 0.446 92 I N -0.146 120.416 120.570 -0.014 0.000 2.423 92 I HA -0.177 3.993 4.170 0.000 0.000 0.254 92 I C 0.800 176.915 176.117 -0.003 0.000 1.151 92 I CA 0.921 62.216 61.300 -0.008 0.000 1.421 92 I CB -0.371 37.626 38.000 -0.004 0.000 1.079 92 I HN 0.214 nan 8.210 nan 0.000 0.431 93 S N 0.624 116.318 115.700 -0.009 0.000 2.536 93 S HA 0.733 5.203 4.470 0.000 0.000 0.298 93 S C -0.654 173.933 174.600 -0.022 0.000 1.083 93 S CA -0.798 57.395 58.200 -0.010 0.000 0.995 93 S CB 2.462 65.654 63.200 -0.014 0.000 1.058 93 S HN 0.066 nan 8.310 nan 0.000 0.488 94 I N 2.379 122.931 120.570 -0.029 0.000 2.509 94 I HA 0.421 4.591 4.170 0.000 0.000 0.293 94 I C -0.381 175.662 176.117 -0.123 0.000 1.020 94 I CA -0.708 60.560 61.300 -0.053 0.000 1.088 94 I CB 1.904 39.900 38.000 -0.007 0.000 1.267 94 I HN 0.681 nan 8.210 nan 0.000 0.430 95 N N 5.341 123.961 118.700 -0.133 0.000 2.400 95 N HA 0.433 5.173 4.740 0.000 0.000 0.288 95 N C -1.483 173.875 175.510 -0.254 0.000 1.024 95 N CA -0.273 52.663 53.050 -0.191 0.000 0.894 95 N CB 2.103 40.520 38.487 -0.117 0.000 1.173 95 N HN 0.260 nan 8.380 nan 0.000 0.487 96 V N 3.747 123.386 119.914 -0.459 0.000 2.378 96 V HA 0.377 4.497 4.120 0.000 0.000 0.288 96 V C -0.030 175.878 176.094 -0.311 0.000 1.016 96 V CA -0.729 61.297 62.300 -0.458 0.000 0.840 96 V CB 1.277 32.547 31.823 -0.920 0.000 0.994 96 V HN 0.573 nan 8.190 nan 0.000 0.431 97 K N 3.854 124.165 120.400 -0.149 0.000 2.545 97 K HA 0.429 4.749 4.320 0.000 0.000 0.252 97 K C -0.387 176.187 176.600 -0.043 0.000 0.948 97 K CA -0.513 55.724 56.287 -0.082 0.000 0.827 97 K CB 1.894 34.356 32.500 -0.064 0.000 1.128 97 K HN 0.851 nan 8.250 nan 0.000 0.429 98 E N 5.833 126.019 120.200 -0.023 0.000 2.331 98 E HA 0.245 4.595 4.350 0.000 0.000 0.272 98 E C -0.278 176.307 176.600 -0.026 0.000 1.036 98 E CA -0.522 55.870 56.400 -0.015 0.000 0.864 98 E CB 0.672 30.370 29.700 -0.002 0.000 1.035 98 E HN 0.604 nan 8.360 nan 0.000 0.408 99 I N -0.270 120.282 120.570 -0.031 0.000 3.516 99 I HA 0.431 4.601 4.170 0.000 0.000 0.297 99 I C -0.171 175.908 176.117 -0.062 0.000 1.139 99 I CA -1.333 59.945 61.300 -0.037 0.000 1.020 99 I CB 1.065 39.051 38.000 -0.023 0.000 1.341 99 I HN 0.571 nan 8.210 nan 0.000 0.490 100 E N 0.518 120.683 120.200 -0.059 0.000 2.436 100 E HA 0.044 4.394 4.350 0.000 0.000 0.262 100 E C -0.823 175.727 176.600 -0.084 0.000 1.063 100 E CA -0.236 56.114 56.400 -0.082 0.000 0.944 100 E CB 0.242 29.911 29.700 -0.050 0.000 0.950 100 E HN 0.665 nan 8.360 nan 0.000 0.444 101 Q N 0.797 120.520 119.800 -0.129 0.000 2.478 101 Q HA -0.245 4.095 4.340 0.000 0.000 0.286 101 Q C -0.926 175.084 176.000 0.017 0.000 1.299 101 Q CA 0.883 56.656 55.803 -0.050 0.000 0.826 101 Q CB -2.489 26.260 28.738 0.019 0.000 1.199 101 Q HN 0.847 nan 8.270 nan 0.000 0.451 102 H N -1.865 117.209 119.070 0.005 0.000 2.604 102 H HA -0.195 4.361 4.556 0.000 0.000 0.321 102 H C -0.208 175.123 175.328 0.005 0.000 1.132 102 H CA 1.468 57.518 56.048 0.003 0.000 1.129 102 H CB -1.033 28.730 29.762 0.002 0.000 1.526 102 H HN 0.499 nan 8.280 nan 0.000 0.415 103 Q N 0.087 119.914 119.800 0.044 0.000 2.345 103 Q HA 0.659 4.999 4.340 0.000 0.000 0.268 103 Q C -0.268 175.747 176.000 0.024 0.000 1.054 103 Q CA -1.045 54.784 55.803 0.043 0.000 0.835 103 Q CB 3.241 31.998 28.738 0.031 0.000 1.339 103 Q HN 0.235 nan 8.270 nan 0.000 0.447 104 V N -1.275 118.658 119.914 0.031 0.000 2.540 104 V HA 0.648 4.768 4.120 0.000 0.000 0.302 104 V C -0.471 175.638 176.094 0.025 0.000 1.035 104 V CA -0.909 61.402 62.300 0.018 0.000 0.873 104 V CB 1.634 33.468 31.823 0.018 0.000 0.992 104 V HN 0.490 nan 8.190 nan 0.000 0.428 105 V N 6.003 125.917 119.914 0.001 0.000 2.350 105 V HA 0.448 4.568 4.120 0.000 0.000 0.276 105 V C 0.015 176.099 176.094 -0.016 0.000 1.028 105 V CA -0.335 61.964 62.300 -0.002 0.000 0.860 105 V CB 1.146 32.960 31.823 -0.014 0.000 0.990 105 V HN 0.786 nan 8.190 nan 0.000 0.453 106 L N 4.917 126.141 121.223 0.001 0.000 2.272 106 L HA 0.580 4.920 4.340 0.000 0.000 0.289 106 L C 0.113 176.967 176.870 -0.027 0.000 1.032 106 L CA -0.076 54.758 54.840 -0.010 0.000 0.810 106 L CB 1.535 43.611 42.059 0.028 0.000 1.205 106 L HN 0.551 nan 8.230 nan 0.000 0.422 107 T N 1.388 115.914 114.554 -0.046 0.000 2.812 107 T HA 0.401 4.751 4.350 0.000 0.000 0.282 107 T C -0.406 174.268 174.700 -0.043 0.000 0.990 107 T CA -0.519 61.556 62.100 -0.041 0.000 0.960 107 T CB 1.594 70.437 68.868 -0.042 0.000 0.948 107 T HN 0.476 nan 8.240 nan 0.000 0.438 108 S N 2.639 118.318 115.700 -0.035 0.000 2.775 108 S HA 0.623 5.093 4.470 0.000 0.000 0.277 108 S C 0.615 175.198 174.600 -0.028 0.000 1.156 108 S CA 0.439 58.619 58.200 -0.033 0.000 1.081 108 S CB -0.069 63.110 63.200 -0.035 0.000 1.054 108 S HN 1.326 nan 8.310 nan 0.000 0.482 109 G N 5.112 113.897 108.800 -0.025 0.000 2.556 109 G HA2 -0.280 3.680 3.960 0.000 0.000 0.283 109 G HA3 -0.280 3.680 3.960 0.000 0.000 0.283 109 G C 0.267 175.156 174.900 -0.019 0.000 1.177 109 G CA 0.534 45.622 45.100 -0.021 0.000 0.978 109 G HN 0.719 nan 8.290 nan 0.000 0.554 110 K N 0.428 120.817 120.400 -0.017 0.000 2.458 110 K HA 0.427 4.747 4.320 0.000 0.000 0.194 110 K C 0.922 177.513 176.600 -0.015 0.000 1.024 110 K CA 0.711 56.989 56.287 -0.015 0.000 1.108 110 K CB 0.471 32.964 32.500 -0.012 0.000 0.846 110 K HN 0.345 nan 8.250 nan 0.000 0.518 111 S N 1.566 117.255 115.700 -0.019 0.000 2.442 111 S HA 0.147 4.617 4.470 0.000 0.000 0.297 111 S C -1.098 173.490 174.600 -0.020 0.000 1.131 111 S CA -0.693 57.496 58.200 -0.019 0.000 1.092 111 S CB 0.800 63.985 63.200 -0.024 0.000 0.998 111 S HN 0.236 nan 8.310 nan 0.000 0.478 112 E N 5.259 125.450 120.200 -0.014 0.000 2.185 112 E HA 0.458 4.808 4.350 0.000 0.000 0.261 112 E C -1.340 175.257 176.600 -0.005 0.000 0.879 112 E CA -0.495 55.898 56.400 -0.012 0.000 0.756 112 E CB 0.793 30.488 29.700 -0.009 0.000 1.152 112 E HN 0.639 nan 8.360 nan 0.000 0.416 113 I N 3.788 124.355 120.570 -0.004 0.000 2.418 113 I HA 0.251 4.421 4.170 0.000 0.000 0.287 113 I C -0.442 175.690 176.117 0.025 0.000 1.008 113 I CA -0.591 60.713 61.300 0.007 0.000 1.104 113 I CB 2.190 40.183 38.000 -0.012 0.000 1.264 113 I HN 0.412 nan 8.210 nan 0.000 0.438 114 T N 7.247 121.825 114.554 0.039 0.000 2.795 114 T HA 0.644 4.994 4.350 0.000 0.000 0.282 114 T C -0.233 174.517 174.700 0.084 0.000 0.980 114 T CA -0.452 61.678 62.100 0.050 0.000 1.012 114 T CB 1.039 69.930 68.868 0.038 0.000 0.936 114 T HN 0.267 nan 8.240 nan 0.000 0.457 115 L N 2.450 123.733 121.223 0.098 0.000 2.362 115 L HA 0.639 4.979 4.340 0.000 0.000 0.271 115 L C -0.125 176.815 176.870 0.116 0.000 1.002 115 L CA -1.372 53.556 54.840 0.147 0.000 0.818 115 L CB 1.856 44.024 42.059 0.183 0.000 1.298 115 L HN 0.349 nan 8.230 nan 0.000 0.420 116 K N 1.245 121.720 120.400 0.126 0.000 2.201 116 K HA 0.681 5.001 4.320 0.000 0.000 0.278 116 K C -0.229 176.425 176.600 0.089 0.000 1.027 116 K CA -0.149 56.194 56.287 0.093 0.000 0.909 116 K CB 1.413 33.957 32.500 0.074 0.000 1.062 116 K HN 0.680 nan 8.250 nan 0.000 0.465 117 G N 2.608 111.458 108.800 0.083 0.000 3.211 117 G HA2 0.584 4.544 3.960 0.000 0.000 0.262 117 G HA3 0.584 4.544 3.960 0.000 0.000 0.262 117 G C -1.188 173.734 174.900 0.036 0.000 1.352 117 G CA -0.731 44.401 45.100 0.053 0.000 1.004 117 G HN 0.501 nan 8.290 nan 0.000 0.559 118 K N -0.096 120.286 120.400 -0.030 0.000 2.443 118 K HA 0.286 4.606 4.320 0.000 0.000 0.251 118 K C -1.368 175.063 176.600 -0.280 0.000 0.972 118 K CA -0.832 55.358 56.287 -0.162 0.000 0.833 118 K CB 2.532 34.974 32.500 -0.097 0.000 1.317 118 K HN 0.494 nan 8.250 nan 0.000 0.441 119 D N 1.645 121.688 120.400 -0.595 0.000 2.424 119 D HA -0.028 4.612 4.640 0.000 0.000 0.244 119 D C 1.203 177.423 176.300 -0.133 0.000 1.134 119 D CA 0.046 53.778 54.000 -0.446 0.000 0.881 119 D CB 1.467 42.000 40.800 -0.444 0.000 1.191 119 D HN 0.367 nan 8.370 nan 0.000 0.445 120 V N 1.447 121.338 119.914 -0.039 0.000 2.720 120 V HA -0.233 3.887 4.120 0.000 0.000 0.256 120 V C 1.506 177.624 176.094 0.039 0.000 1.082 120 V CA 1.858 64.159 62.300 0.002 0.000 1.101 120 V CB -0.866 30.956 31.823 -0.002 0.000 0.693 120 V HN 0.574 nan 8.190 nan 0.000 0.479 121 D N 0.322 120.730 120.400 0.013 0.000 2.384 121 D HA -0.210 4.430 4.640 0.000 0.000 0.222 121 D C 1.901 178.213 176.300 0.019 0.000 0.976 121 D CA 1.171 55.183 54.000 0.020 0.000 0.915 121 D CB -0.601 40.204 40.800 0.007 0.000 0.896 121 D HN 0.606 nan 8.370 nan 0.000 0.523 122 Q N -1.352 118.460 119.800 0.020 0.000 2.432 122 Q HA -0.009 4.331 4.340 0.000 0.000 0.205 122 Q C -0.243 175.786 176.000 0.048 0.000 0.945 122 Q CA 0.109 55.921 55.803 0.015 0.000 0.924 122 Q CB 0.082 28.818 28.738 -0.004 0.000 1.016 122 Q HN 0.416 nan 8.270 nan 0.000 0.503 123 Y N 2.945 123.219 120.300 -0.042 0.000 2.299 123 Y HA 0.173 4.723 4.550 0.000 0.000 0.326 123 Y C -1.953 173.924 175.900 -0.038 0.000 1.164 123 Y CA -2.836 55.241 58.100 -0.038 0.000 1.234 123 Y CB 0.721 39.160 38.460 -0.036 0.000 1.219 123 Y HN 0.001 nan 8.280 nan 0.000 0.497 124 P HA 0.158 nan 4.420 nan 0.000 0.271 124 P C -1.013 176.231 177.300 -0.093 0.000 1.218 124 P CA -0.118 62.837 63.100 -0.241 0.000 0.780 124 P CB 0.958 32.461 31.700 -0.329 0.000 0.901 125 R N 1.204 121.675 120.500 -0.049 0.000 2.582 125 R HA 0.326 4.666 4.340 0.000 0.000 0.271 125 R C 0.256 176.517 176.300 -0.064 0.000 1.078 125 R CA -0.950 55.138 56.100 -0.020 0.000 1.127 125 R CB 0.221 30.507 30.300 -0.023 0.000 1.038 125 R HN 0.435 nan 8.270 nan 0.000 0.500 126 L N 2.438 123.612 121.223 -0.082 0.000 2.380 126 L HA 0.083 4.423 4.340 0.000 0.000 0.273 126 L C -0.181 176.585 176.870 -0.173 0.000 1.138 126 L CA -0.094 54.632 54.840 -0.190 0.000 0.832 126 L CB 1.140 43.026 42.059 -0.289 0.000 1.124 126 L HN 0.550 nan 8.230 nan 0.000 0.454 127 Q N 3.726 123.413 119.800 -0.190 0.000 2.348 127 Q HA 0.123 4.463 4.340 0.000 0.000 0.251 127 Q C -0.452 175.492 176.000 -0.093 0.000 1.113 127 Q CA 0.225 55.967 55.803 -0.102 0.000 0.902 127 Q CB 0.136 28.836 28.738 -0.063 0.000 1.333 127 Q HN 0.520 nan 8.270 nan 0.000 0.457 128 E N 1.201 121.374 120.200 -0.046 0.000 2.418 128 E HA 0.197 4.548 4.350 0.000 0.000 0.261 128 E C -0.783 175.867 176.600 0.083 0.000 1.070 128 E CA -0.109 56.304 56.400 0.022 0.000 0.931 128 E CB 0.914 30.618 29.700 0.007 0.000 0.954 128 E HN 0.285 nan 8.360 nan 0.000 0.439 129 V N 2.329 122.323 119.914 0.134 0.000 2.531 129 V HA 0.108 4.228 4.120 0.000 0.000 0.301 129 V C -0.176 175.892 176.094 -0.045 0.000 1.034 129 V CA -0.930 61.419 62.300 0.081 0.000 0.865 129 V CB 1.839 33.738 31.823 0.127 0.000 0.995 129 V HN 0.846 nan 8.190 nan 0.000 0.424 130 S N 2.530 118.211 115.700 -0.031 0.000 2.558 130 S HA 0.008 4.478 4.470 0.000 0.000 0.293 130 S C 0.699 175.138 174.600 -0.270 0.000 1.292 130 S CA -0.011 58.141 58.200 -0.080 0.000 1.063 130 S CB 0.420 63.625 63.200 0.009 0.000 0.831 130 S HN 0.805 nan 8.310 nan 0.000 0.499 131 T N 1.420 115.747 114.554 -0.378 0.000 3.223 131 T HA 0.229 4.579 4.350 0.000 0.000 0.259 131 T C 0.235 174.863 174.700 -0.120 0.000 1.015 131 T CA -0.206 61.430 62.100 -0.773 0.000 0.908 131 T CB -0.390 68.136 68.868 -0.570 0.000 1.054 131 T HN 0.813 nan 8.240 nan 0.000 0.567 132 E N 2.009 122.255 120.200 0.077 0.000 2.214 132 E HA 0.259 4.609 4.350 0.000 0.000 0.274 132 E C -0.472 176.283 176.600 0.259 0.000 0.977 132 E CA -0.690 55.808 56.400 0.163 0.000 0.827 132 E CB 0.424 30.174 29.700 0.084 0.000 1.130 132 E HN 0.075 nan 8.360 nan 0.000 0.394 133 N N 2.964 121.774 118.700 0.184 0.000 2.608 133 N HA -0.099 4.641 4.740 0.000 0.000 0.273 133 N C -2.493 173.066 175.510 0.083 0.000 1.133 133 N CA 0.548 53.670 53.050 0.120 0.000 0.726 133 N CB -0.929 37.617 38.487 0.098 0.000 0.890 133 N HN 0.475 nan 8.380 nan 0.000 0.548 134 P HA 0.240 nan 4.420 nan 0.000 0.284 134 P C -0.168 176.967 177.300 -0.275 0.000 1.253 134 P CA -0.695 62.163 63.100 -0.403 0.000 0.800 134 P CB 1.173 32.623 31.700 -0.417 0.000 0.961 135 L N 4.292 125.310 121.223 -0.341 0.000 2.264 135 L HA 0.401 4.741 4.340 0.000 0.000 0.289 135 L C -0.438 176.294 176.870 -0.230 0.000 1.044 135 L CA -0.419 54.311 54.840 -0.183 0.000 0.807 135 L CB 0.032 42.029 42.059 -0.103 0.000 1.192 135 L HN 0.237 nan 8.230 nan 0.000 0.425 136 I N 6.724 127.204 120.570 -0.150 0.000 2.321 136 I HA 0.342 4.512 4.170 0.000 0.000 0.291 136 I C -0.579 175.467 176.117 -0.118 0.000 0.998 136 I CA -0.374 60.843 61.300 -0.139 0.000 1.227 136 I CB 0.921 38.861 38.000 -0.100 0.000 1.368 136 I HN 0.513 nan 8.210 nan 0.000 0.466 137 L N 6.310 127.457 121.223 -0.127 0.000 2.381 137 L HA 0.489 4.829 4.340 0.000 0.000 0.268 137 L C -0.187 176.621 176.870 -0.103 0.000 0.997 137 L CA -1.049 53.715 54.840 -0.126 0.000 0.818 137 L CB 2.212 44.182 42.059 -0.147 0.000 1.310 137 L HN 0.495 nan 8.230 nan 0.000 0.416 138 K N 0.651 120.991 120.400 -0.100 0.000 2.326 138 K HA 0.155 4.475 4.320 0.000 0.000 0.275 138 K C 0.680 177.242 176.600 -0.063 0.000 1.018 138 K CA -0.261 55.980 56.287 -0.075 0.000 0.962 138 K CB 1.349 33.806 32.500 -0.072 0.000 0.953 138 K HN 0.588 nan 8.250 nan 0.000 0.475 139 T N 2.492 117.022 114.554 -0.039 0.000 2.708 139 T HA -0.134 4.216 4.350 0.000 0.000 0.266 139 T C 1.484 176.189 174.700 0.009 0.000 1.037 139 T CA 1.300 63.401 62.100 0.001 0.000 1.146 139 T CB 0.035 68.892 68.868 -0.019 0.000 0.865 139 T HN 0.502 nan 8.240 nan 0.000 0.435 140 K N 0.442 120.830 120.400 -0.020 0.000 2.209 140 K HA -0.011 4.309 4.320 0.000 0.000 0.204 140 K C 2.181 178.753 176.600 -0.046 0.000 1.048 140 K CA 0.727 56.998 56.287 -0.025 0.000 0.940 140 K CB -0.293 32.189 32.500 -0.031 0.000 0.729 140 K HN 0.186 nan 8.250 nan 0.000 0.451 141 L N 0.953 122.133 121.223 -0.070 0.000 2.044 141 L HA -0.100 4.240 4.340 0.000 0.000 0.205 141 L C 1.985 178.781 176.870 -0.123 0.000 1.075 141 L CA 1.324 56.099 54.840 -0.109 0.000 0.747 141 L CB -0.504 41.470 42.059 -0.142 0.000 0.903 141 L HN 0.012 nan 8.230 nan 0.000 0.435 142 L N -0.057 121.095 121.223 -0.117 0.000 2.046 142 L HA -0.196 4.144 4.340 0.000 0.000 0.208 142 L C 2.498 179.302 176.870 -0.110 0.000 1.077 142 L CA 1.818 56.562 54.840 -0.161 0.000 0.747 142 L CB -0.803 41.113 42.059 -0.239 0.000 0.896 142 L HN 0.291 nan 8.230 nan 0.000 0.432 143 K N -1.531 118.867 120.400 -0.004 0.000 2.147 143 K HA -0.138 4.182 4.320 0.000 0.000 0.205 143 K C 2.321 178.906 176.600 -0.025 0.000 1.049 143 K CA 1.319 57.624 56.287 0.031 0.000 0.936 143 K CB -0.219 32.314 32.500 0.055 0.000 0.722 143 K HN 0.330 nan 8.250 nan 0.000 0.446 144 S N 1.184 116.847 115.700 -0.061 0.000 2.368 144 S HA -0.071 4.400 4.470 0.000 0.000 0.224 144 S C 1.937 176.457 174.600 -0.133 0.000 1.029 144 S CA 0.750 58.892 58.200 -0.096 0.000 0.988 144 S CB -0.120 63.014 63.200 -0.111 0.000 0.838 144 S HN 0.181 nan 8.310 nan 0.000 0.462 145 I N 1.188 121.686 120.570 -0.121 0.000 2.226 145 I HA -0.169 4.001 4.170 0.000 0.000 0.245 145 I C 2.155 178.227 176.117 -0.075 0.000 1.100 145 I CA 1.216 62.452 61.300 -0.106 0.000 1.374 145 I CB -0.360 37.619 38.000 -0.036 0.000 1.057 145 I HN 0.339 nan 8.210 nan 0.000 0.413 146 I N 0.848 121.384 120.570 -0.057 0.000 2.142 146 I HA -0.282 3.888 4.170 0.000 0.000 0.240 146 I C 2.734 178.867 176.117 0.028 0.000 1.078 146 I CA 1.460 62.746 61.300 -0.022 0.000 1.343 146 I CB -0.522 37.464 38.000 -0.022 0.000 1.046 146 I HN 0.165 nan 8.210 nan 0.000 0.405 147 A N 0.124 122.961 122.820 0.027 0.000 2.125 147 A HA -0.184 4.136 4.320 0.000 0.000 0.219 147 A C 2.079 179.762 177.584 0.165 0.000 1.156 147 A CA 1.513 53.599 52.037 0.082 0.000 0.671 147 A CB -0.517 18.500 19.000 0.028 0.000 0.794 147 A HN 0.520 nan 8.150 nan 0.000 0.459 148 E N -1.334 118.893 120.200 0.044 0.000 2.340 148 E HA -0.039 4.312 4.350 0.000 0.000 0.194 148 E C 1.776 178.471 176.600 0.157 0.000 0.996 148 E CA 1.148 57.579 56.400 0.051 0.000 0.869 148 E CB 0.157 29.465 29.700 -0.655 0.000 0.835 148 E HN 0.804 nan 8.360 nan 0.000 0.493 149 T N -2.785 111.754 114.554 -0.025 0.000 2.964 149 T HA 0.325 4.675 4.350 0.000 0.000 0.250 149 T C 2.076 176.598 174.700 -0.297 0.000 0.982 149 T CA 0.333 62.311 62.100 -0.203 0.000 0.959 149 T CB 0.213 69.025 68.868 -0.093 0.000 1.141 149 T HN 0.057 nan 8.240 nan 0.000 0.494 150 A N 2.565 125.327 122.820 -0.096 0.000 1.884 150 A HA -0.019 4.302 4.320 0.000 0.000 0.219 150 A C 1.986 179.541 177.584 -0.049 0.000 1.197 150 A CA 2.101 54.120 52.037 -0.029 0.000 0.637 150 A CB -1.446 17.596 19.000 0.071 0.000 0.827 150 A HN 0.812 nan 8.150 nan 0.000 0.450 151 F N -0.288 119.684 119.950 0.037 0.000 2.307 151 F HA 0.082 4.609 4.527 0.000 0.000 0.301 151 F C 2.069 177.883 175.800 0.022 0.000 1.076 151 F CA 0.793 58.813 58.000 0.033 0.000 1.383 151 F CB -0.840 38.178 39.000 0.031 0.000 1.055 151 F HN 0.175 nan 8.300 nan 0.000 0.526 152 A N 0.997 123.364 122.820 -0.755 0.000 2.119 152 A HA 0.459 4.779 4.320 0.000 0.000 0.216 152 A C 1.747 179.223 177.584 -0.180 0.000 1.152 152 A CA 0.402 52.161 52.037 -0.463 0.000 0.708 152 A CB -1.212 17.423 19.000 -0.609 0.000 0.805 152 A HN 0.541 nan 8.150 nan 0.000 0.460 153 A N -0.138 122.611 122.820 -0.118 0.000 2.448 153 A HA 0.451 4.771 4.320 0.000 0.000 0.239 153 A C 0.751 178.345 177.584 0.017 0.000 1.080 153 A CA 0.483 52.509 52.037 -0.018 0.000 0.779 153 A CB -0.065 18.942 19.000 0.012 0.000 1.026 153 A HN 0.476 nan 8.150 nan 0.000 0.499 154 S N -0.468 115.255 115.700 0.037 0.000 2.584 154 S HA 0.428 4.898 4.470 0.000 0.000 0.273 154 S C 0.902 175.538 174.600 0.060 0.000 1.311 154 S CA -0.588 57.643 58.200 0.053 0.000 1.034 154 S CB 0.154 63.381 63.200 0.044 0.000 0.939 154 S HN 0.518 nan 8.310 nan 0.000 0.513 155 L N 2.424 123.689 121.223 0.070 0.000 2.408 155 L HA 0.174 4.514 4.340 0.000 0.000 0.215 155 L C 0.730 177.636 176.870 0.060 0.000 1.081 155 L CA 0.050 54.930 54.840 0.067 0.000 0.840 155 L CB -0.213 41.890 42.059 0.074 0.000 1.002 155 L HN 0.549 nan 8.230 nan 0.000 0.468 156 Q N 1.669 121.507 119.800 0.063 0.000 2.239 156 Q HA -0.081 4.259 4.340 0.000 0.000 0.286 156 Q C 0.718 176.743 176.000 0.042 0.000 1.102 156 Q CA 0.386 56.222 55.803 0.054 0.000 0.936 156 Q CB 0.688 29.462 28.738 0.060 0.000 1.127 156 Q HN 0.225 nan 8.270 nan 0.000 0.380 157 E N 1.374 121.597 120.200 0.038 0.000 2.338 157 E HA -0.113 4.237 4.350 0.000 0.000 0.197 157 E C 1.715 178.329 176.600 0.024 0.000 1.007 157 E CA 0.911 57.330 56.400 0.031 0.000 0.849 157 E CB 0.095 29.813 29.700 0.030 0.000 0.774 157 E HN 0.698 nan 8.360 nan 0.000 0.506 158 S N 0.657 116.371 115.700 0.023 0.000 2.392 158 S HA -0.210 4.260 4.470 0.000 0.000 0.232 158 S C 1.469 176.073 174.600 0.007 0.000 1.041 158 S CA 0.983 59.192 58.200 0.016 0.000 1.026 158 S CB -0.071 63.140 63.200 0.018 0.000 0.845 158 S HN 0.089 nan 8.310 nan 0.000 0.465 159 R N 1.321 121.824 120.500 0.005 0.000 2.407 159 R HA 0.351 4.692 4.340 0.000 0.000 0.298 159 R C -2.529 173.772 176.300 0.002 0.000 1.166 159 R CA -2.176 53.919 56.100 -0.009 0.000 1.006 159 R CB 1.212 31.494 30.300 -0.030 0.000 1.145 159 R HN 0.102 nan 8.270 nan 0.000 0.538 160 P HA -0.224 nan 4.420 nan 0.000 0.214 160 P C 1.200 178.523 177.300 0.039 0.000 1.169 160 P CA 1.390 64.505 63.100 0.026 0.000 0.908 160 P CB 0.009 31.723 31.700 0.023 0.000 0.791 161 I N -3.000 117.588 120.570 0.030 0.000 2.236 161 I HA -0.233 3.937 4.170 0.000 0.000 0.249 161 I C 2.034 178.229 176.117 0.129 0.000 1.102 161 I CA 1.911 63.255 61.300 0.073 0.000 1.365 161 I CB -1.815 36.193 38.000 0.013 0.000 1.051 161 I HN -0.099 nan 8.210 nan 0.000 0.420 162 L N 0.253 121.496 121.223 0.033 0.000 2.465 162 L HA -0.051 4.289 4.340 0.000 0.000 0.224 162 L C 2.118 179.042 176.870 0.091 0.000 1.145 162 L CA 1.068 55.939 54.840 0.052 0.000 0.834 162 L CB -0.978 41.060 42.059 -0.034 0.000 0.944 162 L HN 0.365 nan 8.230 nan 0.000 0.451 163 T N -0.615 113.987 114.554 0.081 0.000 2.995 163 T HA 0.032 4.382 4.350 0.000 0.000 0.269 163 T C 1.008 175.757 174.700 0.081 0.000 1.091 163 T CA 0.767 62.911 62.100 0.072 0.000 1.128 163 T CB -0.007 68.899 68.868 0.063 0.000 0.891 163 T HN 0.468 nan 8.240 nan 0.000 0.492 164 G N 0.343 109.206 108.800 0.105 0.000 2.705 164 G HA2 0.556 4.516 3.960 0.000 0.000 0.299 164 G HA3 0.556 4.516 3.960 0.000 0.000 0.299 164 G C -1.147 173.784 174.900 0.051 0.000 1.315 164 G CA -0.526 44.623 45.100 0.081 0.000 1.045 164 G HN 0.151 nan 8.290 nan 0.000 0.517 165 V N 0.352 120.269 119.914 0.005 0.000 2.398 165 V HA 0.257 4.377 4.120 0.000 0.000 0.286 165 V C -0.106 175.916 176.094 -0.120 0.000 1.026 165 V CA -0.661 61.607 62.300 -0.055 0.000 0.868 165 V CB 1.108 32.916 31.823 -0.026 0.000 0.982 165 V HN 0.781 nan 8.190 nan 0.000 0.443 166 H N 5.940 124.720 119.070 -0.484 0.000 2.742 166 H HA 0.390 4.946 4.556 0.000 0.000 0.302 166 H C -1.015 174.098 175.328 -0.358 0.000 1.069 166 H CA -0.767 54.910 56.048 -0.618 0.000 1.446 166 H CB 0.684 29.716 29.762 -1.216 0.000 1.462 166 H HN 0.392 nan 8.280 nan 0.000 0.499 167 I N 6.996 127.430 120.570 -0.226 0.000 2.389 167 I HA 0.199 4.369 4.170 0.000 0.000 0.288 167 I C -0.514 175.299 176.117 -0.508 0.000 0.999 167 I CA -0.664 60.435 61.300 -0.335 0.000 1.129 167 I CB 1.342 39.343 38.000 0.001 0.000 1.288 167 I HN 0.325 nan 8.210 nan 0.000 0.444 168 V N 6.711 126.097 119.914 -0.881 0.000 2.760 168 V HA 0.447 4.567 4.120 0.000 0.000 0.309 168 V C -0.676 174.698 176.094 -1.199 0.000 1.077 168 V CA -0.736 60.951 62.300 -1.022 0.000 0.910 168 V CB 2.965 34.312 31.823 -0.792 0.000 1.008 168 V HN 0.492 nan 8.190 nan 0.000 0.424 169 L N 4.901 125.206 121.223 -1.531 0.000 2.294 169 L HA 0.783 5.123 4.340 0.000 0.000 0.283 169 L C 0.180 176.709 176.870 -0.568 0.000 1.015 169 L CA 0.277 54.544 54.840 -0.954 0.000 0.831 169 L CB 1.575 43.099 42.059 -0.892 0.000 1.217 169 L HN 0.835 nan 8.230 nan 0.000 0.420 170 S N 2.812 118.295 115.700 -0.362 0.000 2.578 170 S HA 0.568 5.039 4.470 0.000 0.000 0.301 170 S C 0.052 174.532 174.600 -0.199 0.000 1.091 170 S CA -0.664 57.369 58.200 -0.278 0.000 1.032 170 S CB 1.431 64.495 63.200 -0.227 0.000 1.064 170 S HN 0.666 nan 8.310 nan 0.000 0.508 171 N N 1.869 120.436 118.700 -0.221 0.000 2.708 171 N HA -0.218 4.522 4.740 0.000 0.000 0.249 171 N C -0.192 175.295 175.510 -0.038 0.000 1.097 171 N CA 1.229 54.197 53.050 -0.137 0.000 0.710 171 N CB -1.877 36.577 38.487 -0.055 0.000 1.032 171 N HN 0.925 nan 8.380 nan 0.000 0.551 172 H N -2.341 116.702 119.070 -0.046 0.000 3.141 172 H HA -0.259 4.297 4.556 0.000 0.000 0.260 172 H C 1.421 176.752 175.328 0.005 0.000 1.132 172 H CA 2.007 58.045 56.048 -0.017 0.000 1.171 172 H CB -1.029 28.727 29.762 -0.009 0.000 1.274 172 H HN 0.869 nan 8.280 nan 0.000 0.329 173 K N -1.014 119.430 120.400 0.075 0.000 2.604 173 K HA 0.086 4.406 4.320 0.000 0.000 0.201 173 K C -0.461 176.173 176.600 0.057 0.000 1.733 173 K CA -0.132 56.200 56.287 0.074 0.000 1.115 173 K CB 1.026 33.562 32.500 0.061 0.000 1.532 173 K HN -0.090 nan 8.250 nan 0.000 0.595 174 D N 2.031 122.435 120.400 0.008 0.000 2.339 174 D HA 0.131 4.771 4.640 0.000 0.000 0.241 174 D C -1.372 174.923 176.300 -0.009 0.000 1.183 174 D CA -0.036 53.965 54.000 0.001 0.000 0.859 174 D CB 0.766 41.539 40.800 -0.046 0.000 1.067 174 D HN 0.089 nan 8.370 nan 0.000 0.484 175 F N 2.887 122.781 119.950 -0.093 0.000 2.410 175 F HA 0.278 4.806 4.527 0.000 0.000 0.349 175 F C 0.026 175.757 175.800 -0.116 0.000 1.117 175 F CA -0.622 57.315 58.000 -0.104 0.000 1.104 175 F CB 0.977 39.969 39.000 -0.013 0.000 1.122 175 F HN 0.015 nan 8.300 nan 0.000 0.483 176 K N 5.122 125.199 120.400 -0.537 0.000 2.397 176 K HA 0.799 5.119 4.320 0.000 0.000 0.253 176 K C -1.892 174.392 176.600 -0.528 0.000 0.932 176 K CA -0.857 55.212 56.287 -0.363 0.000 0.795 176 K CB 1.628 33.940 32.500 -0.314 0.000 1.159 176 K HN 0.714 nan 8.250 nan 0.000 0.424 177 A N 3.653 126.339 122.820 -0.223 0.000 2.332 177 A HA 0.590 4.910 4.320 0.000 0.000 0.300 177 A C -1.587 175.936 177.584 -0.101 0.000 1.153 177 A CA -0.672 51.265 52.037 -0.166 0.000 0.764 177 A CB 1.515 20.545 19.000 0.050 0.000 1.174 177 A HN 0.458 nan 8.150 nan 0.000 0.467 178 V N 1.688 121.517 119.914 -0.142 0.000 2.925 178 V HA 0.931 5.051 4.120 0.000 0.000 0.311 178 V C -0.575 175.479 176.094 -0.067 0.000 1.104 178 V CA 0.188 62.445 62.300 -0.072 0.000 0.954 178 V CB 2.026 33.831 31.823 -0.030 0.000 1.022 178 V HN 1.866 nan 8.190 nan 0.000 0.427 179 A N 3.420 126.222 122.820 -0.029 0.000 2.520 179 A HA 0.919 5.239 4.320 0.000 0.000 0.298 179 A C -0.636 176.940 177.584 -0.013 0.000 1.051 179 A CA -0.092 51.942 52.037 -0.004 0.000 0.690 179 A CB 2.252 21.195 19.000 -0.097 0.000 1.281 179 A HN 1.229 nan 8.150 nan 0.000 0.402 180 T N -0.149 114.429 114.554 0.040 0.000 2.840 180 T HA 0.521 4.871 4.350 0.000 0.000 0.317 180 T C -1.592 173.086 174.700 -0.037 0.000 1.401 180 T CA 0.183 62.264 62.100 -0.032 0.000 1.028 180 T CB 1.543 70.396 68.868 -0.024 0.000 1.317 180 T HN 0.865 nan 8.240 nan 0.000 0.495 181 D N 0.975 121.335 120.400 -0.068 0.000 2.571 181 D HA 0.144 4.784 4.640 0.000 0.000 0.239 181 D C 0.803 177.042 176.300 -0.102 0.000 1.267 181 D CA 0.462 54.447 54.000 -0.024 0.000 0.823 181 D CB -0.438 40.384 40.800 0.037 0.000 1.056 181 D HN 0.951 nan 8.370 nan 0.000 0.494 182 S N -0.544 115.054 115.700 -0.170 0.000 3.533 182 S HA -0.322 4.148 4.470 0.000 0.000 0.347 182 S C 0.298 174.632 174.600 -0.444 0.000 1.101 182 S CA 1.339 59.376 58.200 -0.272 0.000 1.009 182 S CB -2.526 60.496 63.200 -0.296 0.000 0.916 182 S HN 0.655 nan 8.310 nan 0.000 0.496 183 H N 0.515 119.538 119.070 -0.079 0.000 2.636 183 H HA 0.278 4.834 4.556 0.000 0.000 0.202 183 H C 1.015 176.237 175.328 -0.177 0.000 0.870 183 H CA 0.777 56.794 56.048 -0.052 0.000 0.943 183 H CB 0.588 30.336 29.762 -0.023 0.000 1.259 183 H HN 0.866 nan 8.280 nan 0.000 0.440 184 R N 0.437 120.828 120.500 -0.181 0.000 2.739 184 R HA 0.647 4.987 4.340 0.000 0.000 0.271 184 R C -1.261 174.924 176.300 -0.192 0.000 1.010 184 R CA -0.799 55.150 56.100 -0.253 0.000 0.897 184 R CB 2.819 32.858 30.300 -0.435 0.000 1.236 184 R HN 0.062 nan 8.270 nan 0.000 0.466 185 M N 1.097 120.591 119.600 -0.178 0.000 2.520 185 M HA 0.411 4.891 4.480 0.000 0.000 0.283 185 M C -1.831 174.384 176.300 -0.142 0.000 1.237 185 M CA -0.484 54.732 55.300 -0.140 0.000 0.885 185 M CB 2.895 35.436 32.600 -0.099 0.000 1.727 185 M HN 0.762 nan 8.290 nan 0.000 0.468 186 S N 2.319 117.948 115.700 -0.118 0.000 2.571 186 S HA 0.525 4.995 4.470 0.000 0.000 0.284 186 S C -1.815 172.803 174.600 0.031 0.000 1.128 186 S CA -0.485 57.689 58.200 -0.044 0.000 0.970 186 S CB 1.841 64.997 63.200 -0.074 0.000 1.039 186 S HN 0.803 nan 8.310 nan 0.000 0.485 187 Q N 2.828 122.692 119.800 0.106 0.000 2.347 187 Q HA 0.621 4.961 4.340 0.000 0.000 0.271 187 Q C -1.468 174.666 176.000 0.223 0.000 1.064 187 Q CA -0.866 55.000 55.803 0.105 0.000 0.800 187 Q CB 1.568 30.325 28.738 0.032 0.000 1.304 187 Q HN 0.585 nan 8.270 nan 0.000 0.438 188 R N 3.804 124.392 120.500 0.146 0.000 2.476 188 R HA 0.544 4.884 4.340 0.000 0.000 0.305 188 R C -1.849 174.529 176.300 0.128 0.000 0.965 188 R CA -0.238 55.950 56.100 0.147 0.000 0.867 188 R CB 1.011 31.350 30.300 0.066 0.000 1.176 188 R HN 0.622 nan 8.270 nan 0.000 0.447 189 L N 5.754 127.046 121.223 0.115 0.000 2.329 189 L HA 0.652 4.992 4.340 0.000 0.000 0.279 189 L C -0.313 176.621 176.870 0.107 0.000 1.014 189 L CA -0.885 54.019 54.840 0.107 0.000 0.814 189 L CB 1.682 43.775 42.059 0.057 0.000 1.257 189 L HN 0.557 nan 8.230 nan 0.000 0.424 190 I N 1.021 121.679 120.570 0.145 0.000 2.802 190 I HA 0.327 4.497 4.170 0.000 0.000 0.298 190 I C -0.695 175.468 176.117 0.076 0.000 1.176 190 I CA -0.399 60.939 61.300 0.063 0.000 1.025 190 I CB 2.942 40.909 38.000 -0.055 0.000 1.243 190 I HN 0.491 nan 8.210 nan 0.000 0.424 191 T N 5.783 120.353 114.554 0.028 0.000 2.770 191 T HA 0.521 4.871 4.350 0.000 0.000 0.283 191 T C -0.043 174.663 174.700 0.011 0.000 0.988 191 T CA -0.535 61.584 62.100 0.031 0.000 0.957 191 T CB 0.745 69.623 68.868 0.018 0.000 0.930 191 T HN 0.237 nan 8.240 nan 0.000 0.443 192 L N 2.703 123.943 121.223 0.028 0.000 2.461 192 L HA 0.195 4.535 4.340 0.000 0.000 0.272 192 L C 1.147 178.019 176.870 0.004 0.000 1.197 192 L CA -0.535 54.310 54.840 0.008 0.000 0.836 192 L CB 0.418 42.504 42.059 0.045 0.000 1.105 192 L HN 0.623 nan 8.230 nan 0.000 0.477 193 D N 0.135 120.528 120.400 -0.012 0.000 2.194 193 D HA -0.020 4.620 4.640 0.000 0.000 0.204 193 D C 0.198 176.496 176.300 -0.003 0.000 0.964 193 D CA 1.223 55.217 54.000 -0.010 0.000 0.846 193 D CB 0.170 40.959 40.800 -0.019 0.000 0.962 193 D HN 0.437 nan 8.370 nan 0.000 0.490 194 N N 0.505 119.205 118.700 -0.001 0.000 2.314 194 N HA 0.137 4.877 4.740 0.000 0.000 0.294 194 N C -0.340 175.182 175.510 0.020 0.000 1.029 194 N CA -0.173 52.879 53.050 0.002 0.000 0.845 194 N CB 2.010 40.493 38.487 -0.007 0.000 1.321 194 N HN -0.052 nan 8.380 nan 0.000 0.481 195 T N -1.196 113.369 114.554 0.018 0.000 2.940 195 T HA 0.292 4.642 4.350 0.000 0.000 0.309 195 T C 0.401 175.129 174.700 0.046 0.000 1.056 195 T CA -0.209 61.915 62.100 0.042 0.000 1.137 195 T CB 0.791 69.660 68.868 0.002 0.000 0.976 195 T HN 0.302 nan 8.240 nan 0.000 0.547 196 S N 0.615 116.384 115.700 0.115 0.000 2.556 196 S HA 0.649 5.119 4.470 0.000 0.000 0.271 196 S C -0.190 174.556 174.600 0.244 0.000 1.135 196 S CA -0.464 57.813 58.200 0.127 0.000 0.858 196 S CB 1.158 64.431 63.200 0.122 0.000 1.114 196 S HN 1.313 nan 8.310 nan 0.000 0.468 197 A N 2.878 125.818 122.820 0.201 0.000 2.587 197 A HA 0.228 4.548 4.320 0.000 0.000 0.233 197 A C 0.131 177.813 177.584 0.163 0.000 1.049 197 A CA 0.388 52.565 52.037 0.234 0.000 0.754 197 A CB -0.269 18.800 19.000 0.114 0.000 0.977 197 A HN 0.820 nan 8.150 nan 0.000 0.509 198 D N 0.214 120.622 120.400 0.014 0.000 2.368 198 D HA 0.524 5.164 4.640 0.000 0.000 0.240 198 D C -0.252 175.987 176.300 -0.100 0.000 1.169 198 D CA 1.107 55.012 54.000 -0.157 0.000 0.906 198 D CB 0.662 41.274 40.800 -0.313 0.000 1.187 198 D HN 0.495 nan 8.370 nan 0.000 0.435 199 F N -1.439 118.303 119.950 -0.347 0.000 2.693 199 F HA 0.566 5.093 4.527 0.000 0.000 0.309 199 F C -1.350 174.259 175.800 -0.318 0.000 1.129 199 F CA -1.227 56.497 58.000 -0.460 0.000 0.948 199 F CB 1.668 40.083 39.000 -0.976 0.000 1.315 199 F HN 0.157 nan 8.300 nan 0.000 0.447 200 M N 4.663 124.199 119.600 -0.107 0.000 2.284 200 M HA 0.588 5.068 4.480 0.000 0.000 0.229 200 M C -2.174 174.196 176.300 0.117 0.000 0.984 200 M CA -0.384 54.864 55.300 -0.085 0.000 1.016 200 M CB 1.449 34.005 32.600 -0.074 0.000 2.379 200 M HN 1.064 nan 8.290 nan 0.000 0.459 201 V N 1.678 121.714 119.914 0.204 0.000 3.167 201 V HA 0.923 5.043 4.120 0.000 0.000 0.310 201 V C -1.450 174.763 176.094 0.199 0.000 1.207 201 V CA -0.734 61.695 62.300 0.214 0.000 1.059 201 V CB 2.294 34.283 31.823 0.276 0.000 1.079 201 V HN 0.498 nan 8.190 nan 0.000 0.446 202 V N 1.937 121.924 119.914 0.121 0.000 2.525 202 V HA 0.570 4.690 4.120 0.000 0.000 0.299 202 V C -0.894 175.254 176.094 0.090 0.000 1.034 202 V CA -0.266 62.068 62.300 0.056 0.000 0.863 202 V CB 1.314 33.149 31.823 0.020 0.000 0.999 202 V HN 0.821 nan 8.190 nan 0.000 0.423 203 L N 8.345 129.622 121.223 0.090 0.000 2.313 203 L HA 0.698 5.038 4.340 0.000 0.000 0.283 203 L C -2.514 174.417 176.870 0.102 0.000 1.013 203 L CA -1.952 52.959 54.840 0.118 0.000 0.816 203 L CB 2.017 44.170 42.059 0.156 0.000 1.236 203 L HN 0.371 nan 8.230 nan 0.000 0.419 204 P HA 0.017 nan 4.420 nan 0.000 0.260 204 P C 0.497 177.857 177.300 0.100 0.000 1.172 204 P CA 0.328 63.485 63.100 0.096 0.000 0.760 204 P CB 0.500 32.258 31.700 0.097 0.000 0.773 205 S N 3.991 119.740 115.700 0.082 0.000 2.383 205 S HA -0.259 4.211 4.470 0.000 0.000 0.229 205 S C 1.747 176.405 174.600 0.095 0.000 1.030 205 S CA 1.227 59.473 58.200 0.076 0.000 1.002 205 S CB -0.700 62.535 63.200 0.059 0.000 0.829 205 S HN 0.436 nan 8.310 nan 0.000 0.467 206 K N 1.226 121.686 120.400 0.101 0.000 2.097 206 K HA -0.024 4.296 4.320 0.000 0.000 0.206 206 K C 2.176 178.864 176.600 0.148 0.000 1.049 206 K CA 1.382 57.736 56.287 0.111 0.000 0.933 206 K CB -0.346 32.214 32.500 0.099 0.000 0.717 206 K HN 0.401 nan 8.250 nan 0.000 0.442 207 S N 1.106 116.906 115.700 0.166 0.000 2.399 207 S HA -0.089 4.381 4.470 0.000 0.000 0.231 207 S C 1.736 176.520 174.600 0.306 0.000 1.022 207 S CA 0.948 59.299 58.200 0.252 0.000 0.983 207 S CB -0.122 63.216 63.200 0.229 0.000 0.803 207 S HN 0.271 nan 8.310 nan 0.000 0.480 208 L N 0.826 122.158 121.223 0.182 0.000 2.131 208 L HA 0.008 4.348 4.340 0.000 0.000 0.206 208 L C 2.674 179.611 176.870 0.111 0.000 1.087 208 L CA 0.838 55.736 54.840 0.098 0.000 0.767 208 L CB -0.342 41.738 42.059 0.035 0.000 0.917 208 L HN 0.203 nan 8.230 nan 0.000 0.441 209 R N -0.015 120.556 120.500 0.119 0.000 2.096 209 R HA -0.140 4.200 4.340 0.000 0.000 0.235 209 R C 1.997 178.359 176.300 0.104 0.000 1.127 209 R CA 0.965 57.127 56.100 0.104 0.000 0.968 209 R CB -0.290 30.070 30.300 0.099 0.000 0.861 209 R HN 0.380 nan 8.270 nan 0.000 0.440 210 E N 0.299 120.594 120.200 0.158 0.000 2.150 210 E HA -0.154 4.196 4.350 0.000 0.000 0.193 210 E C 1.661 178.257 176.600 -0.007 0.000 0.985 210 E CA 0.647 57.149 56.400 0.170 0.000 0.814 210 E CB -0.319 29.595 29.700 0.355 0.000 0.752 210 E HN 0.268 nan 8.360 nan 0.000 0.466 211 F N 2.117 121.889 119.950 -0.297 0.000 2.095 211 F HA -0.237 4.291 4.527 0.000 0.000 0.298 211 F C 2.358 177.985 175.800 -0.289 0.000 1.104 211 F CA 1.683 59.269 58.000 -0.690 0.000 1.232 211 F CB -0.212 38.346 39.000 -0.735 0.000 0.987 211 F HN -0.122 nan 8.300 nan 0.000 0.475 212 S N 0.335 116.038 115.700 0.005 0.000 2.382 212 S HA -0.159 4.311 4.470 0.000 0.000 0.228 212 S C 2.206 176.738 174.600 -0.114 0.000 1.027 212 S CA 1.034 59.220 58.200 -0.023 0.000 0.991 212 S CB -0.757 62.481 63.200 0.063 0.000 0.823 212 S HN 0.561 nan 8.310 nan 0.000 0.469 213 A N 0.637 123.397 122.820 -0.100 0.000 1.970 213 A HA 0.082 4.403 4.320 0.000 0.000 0.216 213 A C 2.222 179.711 177.584 -0.158 0.000 1.170 213 A CA 0.917 52.901 52.037 -0.088 0.000 0.645 213 A CB -0.419 18.564 19.000 -0.028 0.000 0.816 213 A HN 0.357 nan 8.150 nan 0.000 0.447 214 V N -1.426 118.324 119.914 -0.274 0.000 2.446 214 V HA 0.009 4.129 4.120 0.000 0.000 0.244 214 V C 0.550 176.300 176.094 -0.573 0.000 1.039 214 V CA 0.691 62.749 62.300 -0.404 0.000 1.045 214 V CB -0.698 30.825 31.823 -0.500 0.000 0.681 214 V HN 0.448 nan 8.190 nan 0.000 0.459 215 F N 2.052 121.678 119.950 -0.540 0.000 2.375 215 F HA 0.346 4.873 4.527 -0.000 0.000 0.362 215 F C 1.132 176.747 175.800 -0.308 0.000 1.129 215 F CA -0.662 57.053 58.000 -0.475 0.000 1.154 215 F CB 0.269 38.803 39.000 -0.776 0.000 1.205 215 F HN 0.028 nan 8.300 nan 0.000 0.513 216 T N -1.108 113.398 114.554 -0.080 0.000 2.860 216 T HA 0.055 4.405 4.350 0.000 0.000 0.299 216 T C 0.975 175.659 174.700 -0.027 0.000 1.045 216 T CA -0.879 61.184 62.100 -0.062 0.000 1.071 216 T CB 0.954 69.780 68.868 -0.071 0.000 0.985 216 T HN 0.475 nan 8.240 nan 0.000 0.537 217 D N 0.978 121.359 120.400 -0.031 0.000 2.309 217 D HA -0.128 4.512 4.640 0.000 0.000 0.212 217 D C 1.733 178.024 176.300 -0.015 0.000 0.968 217 D CA 1.031 55.018 54.000 -0.021 0.000 0.882 217 D CB -0.200 40.586 40.800 -0.024 0.000 0.918 217 D HN 0.825 nan 8.370 nan 0.000 0.503 218 D N 0.605 120.996 120.400 -0.015 0.000 2.350 218 D HA -0.133 4.507 4.640 0.000 0.000 0.216 218 D C 0.864 177.168 176.300 0.006 0.000 0.968 218 D CA 0.122 54.118 54.000 -0.008 0.000 0.894 218 D CB -0.055 40.738 40.800 -0.012 0.000 0.909 218 D HN 0.250 nan 8.370 nan 0.000 0.520 219 I N 1.571 122.151 120.570 0.015 0.000 2.281 219 I HA 0.024 4.194 4.170 0.000 0.000 0.293 219 I C 1.342 177.463 176.117 0.007 0.000 1.085 219 I CA -0.436 60.883 61.300 0.032 0.000 1.257 219 I CB 1.319 39.370 38.000 0.086 0.000 1.430 219 I HN -0.255 nan 8.210 nan 0.000 0.489 220 E N 3.653 123.852 120.200 -0.002 0.000 2.038 220 E HA -0.142 4.208 4.350 0.000 0.000 0.195 220 E C 0.741 177.324 176.600 -0.028 0.000 1.000 220 E CA 1.548 57.939 56.400 -0.015 0.000 0.803 220 E CB 0.229 29.920 29.700 -0.015 0.000 0.750 220 E HN 0.781 nan 8.360 nan 0.000 0.448 221 T N -3.409 111.126 114.554 -0.032 0.000 2.841 221 T HA 0.644 4.995 4.350 0.000 0.000 0.296 221 T C -0.545 174.114 174.700 -0.068 0.000 1.166 221 T CA -0.493 61.575 62.100 -0.053 0.000 1.007 221 T CB 1.563 70.398 68.868 -0.055 0.000 1.253 221 T HN 0.120 nan 8.240 nan 0.000 0.511 222 V N -1.873 117.984 119.914 -0.094 0.000 3.078 222 V HA 0.776 4.896 4.120 0.000 0.000 0.311 222 V C -0.967 175.053 176.094 -0.123 0.000 1.138 222 V CA -1.221 61.012 62.300 -0.112 0.000 1.007 222 V CB 1.753 33.452 31.823 -0.207 0.000 1.045 222 V HN 1.078 nan 8.190 nan 0.000 0.432 223 E N 1.249 121.372 120.200 -0.128 0.000 2.197 223 E HA 0.650 5.000 4.350 0.000 0.000 0.281 223 E C -1.285 175.033 176.600 -0.469 0.000 0.995 223 E CA -0.731 55.487 56.400 -0.302 0.000 0.808 223 E CB 2.301 31.867 29.700 -0.223 0.000 1.093 223 E HN 0.614 nan 8.360 nan 0.000 0.394 224 V N 4.300 123.794 119.914 -0.700 0.000 2.384 224 V HA 0.396 4.516 4.120 0.000 0.000 0.287 224 V C -0.780 174.698 176.094 -1.026 0.000 1.020 224 V CA -0.687 61.110 62.300 -0.838 0.000 0.850 224 V CB 0.276 31.622 31.823 -0.795 0.000 0.987 224 V HN 0.512 nan 8.190 nan 0.000 0.436 225 F N 4.036 123.627 119.950 -0.597 0.000 2.508 225 F HA 0.770 5.297 4.527 -0.000 0.000 0.325 225 F C -0.343 175.132 175.800 -0.543 0.000 1.090 225 F CA -0.707 57.071 58.000 -0.371 0.000 0.945 225 F CB 1.734 40.615 39.000 -0.198 0.000 1.156 225 F HN 0.279 nan 8.300 nan 0.000 0.463 226 F N 0.645 120.595 119.950 0.001 0.000 2.538 226 F HA 0.730 5.257 4.527 0.000 0.000 0.325 226 F C 0.144 175.964 175.800 0.033 0.000 1.066 226 F CA -0.751 57.229 58.000 -0.032 0.000 0.946 226 F CB 2.173 41.128 39.000 -0.075 0.000 1.199 226 F HN 0.450 nan 8.300 nan 0.000 0.473 227 S N 0.679 116.515 115.700 0.227 0.000 2.671 227 S HA 0.602 5.072 4.470 0.000 0.000 0.277 227 S C -2.608 172.080 174.600 0.147 0.000 1.165 227 S CA -1.296 56.997 58.200 0.154 0.000 0.822 227 S CB 1.863 65.133 63.200 0.117 0.000 1.150 227 S HN 0.247 nan 8.310 nan 0.000 0.479 228 P HA 0.014 nan 4.420 nan 0.000 0.217 228 P C 1.434 178.788 177.300 0.090 0.000 1.151 228 P CA 1.507 64.662 63.100 0.092 0.000 0.828 228 P CB -0.029 31.710 31.700 0.065 0.000 0.788 229 S N -2.009 113.739 115.700 0.081 0.000 2.486 229 S HA 0.060 4.530 4.470 0.000 0.000 0.220 229 S C 0.770 175.422 174.600 0.086 0.000 1.011 229 S CA -0.181 58.062 58.200 0.073 0.000 0.921 229 S CB -0.537 62.695 63.200 0.053 0.000 0.785 229 S HN 0.281 nan 8.310 nan 0.000 0.517 230 Q N -0.335 119.526 119.800 0.102 0.000 2.590 230 Q HA 0.680 5.020 4.340 0.000 0.000 0.295 230 Q C -1.501 174.541 176.000 0.070 0.000 0.973 230 Q CA -1.044 54.824 55.803 0.108 0.000 0.768 230 Q CB 1.584 30.407 28.738 0.141 0.000 1.479 230 Q HN 0.286 nan 8.270 nan 0.000 0.419 231 I N 1.324 121.899 120.570 0.009 0.000 2.569 231 I HA 0.548 4.718 4.170 0.000 0.000 0.296 231 I C -1.849 174.130 176.117 -0.230 0.000 1.028 231 I CA -1.471 59.680 61.300 -0.248 0.000 1.082 231 I CB 1.917 39.659 38.000 -0.429 0.000 1.264 231 I HN 0.719 nan 8.210 nan 0.000 0.429 232 L N 7.770 128.764 121.223 -0.382 0.000 2.305 232 L HA 0.587 4.927 4.340 0.000 0.000 0.284 232 L C -1.826 174.848 176.870 -0.326 0.000 1.013 232 L CA 0.077 54.712 54.840 -0.341 0.000 0.819 232 L CB 1.226 43.054 42.059 -0.385 0.000 1.227 232 L HN 0.400 nan 8.230 nan 0.000 0.417 233 F N 4.819 124.789 119.950 0.034 0.000 2.415 233 F HA 0.647 5.174 4.527 0.000 0.000 0.348 233 F C 0.367 176.266 175.800 0.165 0.000 1.119 233 F CA -0.359 57.678 58.000 0.063 0.000 1.069 233 F CB 1.343 40.468 39.000 0.208 0.000 1.124 233 F HN 0.453 nan 8.300 nan 0.000 0.472 234 R N 1.891 122.533 120.500 0.236 0.000 2.575 234 R HA 0.620 4.960 4.340 0.000 0.000 0.293 234 R C -0.732 175.683 176.300 0.193 0.000 0.983 234 R CA -0.383 55.877 56.100 0.266 0.000 0.887 234 R CB 1.735 32.185 30.300 0.250 0.000 1.184 234 R HN 0.857 nan 8.270 nan 0.000 0.445 235 S N 1.783 117.652 115.700 0.282 0.000 2.753 235 S HA 0.326 4.796 4.470 0.000 0.000 0.302 235 S C 0.615 175.255 174.600 0.066 0.000 1.104 235 S CA -0.836 57.474 58.200 0.183 0.000 0.968 235 S CB 1.199 64.598 63.200 0.332 0.000 1.278 235 S HN 0.600 nan 8.310 nan 0.000 0.549 236 E N 0.876 121.040 120.200 -0.060 0.000 2.077 236 E HA -0.114 4.236 4.350 0.000 0.000 0.193 236 E C 1.221 177.562 176.600 -0.432 0.000 0.989 236 E CA 1.750 57.970 56.400 -0.300 0.000 0.800 236 E CB -0.415 28.984 29.700 -0.501 0.000 0.746 236 E HN 0.814 nan 8.360 nan 0.000 0.452 237 H N -1.770 117.344 119.070 0.073 0.000 2.893 237 H HA 0.374 4.930 4.556 -0.000 0.000 0.270 237 H C 0.046 175.406 175.328 0.053 0.000 1.095 237 H CA -0.195 55.884 56.048 0.050 0.000 1.186 237 H CB 1.080 30.857 29.762 0.024 0.000 1.562 237 H HN -0.066 nan 8.280 nan 0.000 0.536 238 I N 0.869 121.530 120.570 0.152 0.000 2.436 238 I HA 0.307 4.477 4.170 0.000 0.000 0.289 238 I C -0.503 175.751 176.117 0.229 0.000 1.010 238 I CA -0.560 60.807 61.300 0.113 0.000 1.098 238 I CB 2.142 40.065 38.000 -0.127 0.000 1.266 238 I HN -0.058 nan 8.210 nan 0.000 0.434 239 S N 6.016 121.848 115.700 0.221 0.000 2.530 239 S HA 0.494 4.964 4.470 0.000 0.000 0.322 239 S C -0.895 173.905 174.600 0.333 0.000 1.085 239 S CA -0.410 57.935 58.200 0.242 0.000 1.096 239 S CB 0.922 64.241 63.200 0.199 0.000 0.988 239 S HN 0.418 nan 8.310 nan 0.000 0.466 240 F N 4.549 124.633 119.950 0.222 0.000 2.403 240 F HA 0.578 5.105 4.527 0.000 0.000 0.355 240 F C -1.382 174.566 175.800 0.247 0.000 1.119 240 F CA -0.718 57.467 58.000 0.308 0.000 1.007 240 F CB 0.507 39.803 39.000 0.493 0.000 1.194 240 F HN 0.482 nan 8.300 nan 0.000 0.443 241 Y N 2.844 123.140 120.300 -0.006 0.000 2.387 241 Y HA 0.643 5.193 4.550 0.000 0.000 0.330 241 Y C 0.137 175.964 175.900 -0.121 0.000 1.133 241 Y CA -0.841 57.269 58.100 0.017 0.000 1.152 241 Y CB 2.126 40.583 38.460 -0.004 0.000 1.215 241 Y HN 0.425 nan 8.280 nan 0.000 0.466 242 T N 2.713 117.384 114.554 0.195 0.000 2.952 242 T HA 0.343 4.693 4.350 0.000 0.000 0.305 242 T C -0.752 174.028 174.700 0.133 0.000 1.064 242 T CA -1.037 61.146 62.100 0.138 0.000 1.008 242 T CB 1.516 70.545 68.868 0.269 0.000 1.078 242 T HN 0.572 nan 8.240 nan 0.000 0.459 243 R N 2.940 123.495 120.500 0.092 0.000 2.543 243 R HA 0.450 4.790 4.340 0.000 0.000 0.277 243 R C -0.767 175.589 176.300 0.094 0.000 1.074 243 R CA -0.333 55.815 56.100 0.080 0.000 1.076 243 R CB 0.276 30.607 30.300 0.052 0.000 0.993 243 R HN 0.563 nan 8.270 nan 0.000 0.459 244 L N 4.996 126.273 121.223 0.090 0.000 2.343 244 L HA 0.356 4.696 4.340 0.000 0.000 0.275 244 L C -0.156 176.761 176.870 0.078 0.000 1.056 244 L CA -0.962 53.935 54.840 0.095 0.000 0.804 244 L CB 1.485 43.608 42.059 0.106 0.000 1.203 244 L HN 0.557 nan 8.230 nan 0.000 0.440 245 L N 2.878 124.148 121.223 0.078 0.000 2.281 245 L HA 0.250 4.590 4.340 0.000 0.000 0.285 245 L C 0.301 177.206 176.870 0.059 0.000 1.074 245 L CA -0.209 54.670 54.840 0.065 0.000 0.817 245 L CB 0.587 42.689 42.059 0.071 0.000 1.168 245 L HN 0.601 nan 8.230 nan 0.000 0.434 246 E N 2.168 122.396 120.200 0.046 0.000 2.318 246 E HA 0.686 5.036 4.350 0.000 0.000 0.265 246 E C 0.236 176.852 176.600 0.027 0.000 1.069 246 E CA -0.270 56.153 56.400 0.038 0.000 0.893 246 E CB 1.538 31.256 29.700 0.031 0.000 1.076 246 E HN 0.755 nan 8.360 nan 0.000 0.414 247 G N 1.309 110.121 108.800 0.019 0.000 2.381 247 G HA2 -0.144 3.816 3.960 0.000 0.000 0.672 247 G HA3 -0.144 3.816 3.960 0.000 0.000 0.672 247 G C -1.265 173.633 174.900 -0.003 0.000 1.324 247 G CA -1.047 44.056 45.100 0.005 0.000 0.975 247 G HN 0.490 nan 8.290 nan 0.000 0.593 248 N N 0.347 119.034 118.700 -0.020 0.000 2.420 248 N HA 0.326 5.066 4.740 0.000 0.000 0.249 248 N C -0.633 174.841 175.510 -0.060 0.000 1.033 248 N CA -0.182 52.849 53.050 -0.032 0.000 0.944 248 N CB 1.642 40.108 38.487 -0.036 0.000 1.113 248 N HN 0.494 nan 8.380 nan 0.000 0.502 249 Y N 4.396 124.556 120.300 -0.233 0.000 2.411 249 Y HA 0.121 4.672 4.550 0.000 0.000 0.333 249 Y C -1.521 174.264 175.900 -0.192 0.000 1.186 249 Y CA -1.222 56.696 58.100 -0.303 0.000 1.381 249 Y CB 0.377 38.400 38.460 -0.728 0.000 1.273 249 Y HN 0.468 nan 8.280 nan 0.000 0.546 250 P HA -0.059 nan 4.420 nan 0.000 0.270 250 P C -0.898 176.335 177.300 -0.111 0.000 1.223 250 P CA -0.141 62.761 63.100 -0.329 0.000 0.785 250 P CB 0.629 32.078 31.700 -0.418 0.000 0.923 251 D N 0.978 121.346 120.400 -0.054 0.000 2.348 251 D HA 0.008 4.648 4.640 0.000 0.000 0.259 251 D C 0.889 177.197 176.300 0.013 0.000 1.296 251 D CA 0.279 54.284 54.000 0.010 0.000 0.931 251 D CB 0.256 41.051 40.800 -0.008 0.000 1.067 251 D HN 0.230 nan 8.370 nan 0.000 0.503 252 T N 2.240 116.838 114.554 0.074 0.000 3.057 252 T HA -0.039 4.311 4.350 0.000 0.000 0.254 252 T C 1.061 175.781 174.700 0.033 0.000 1.094 252 T CA 0.343 62.480 62.100 0.061 0.000 1.088 252 T CB 0.198 69.154 68.868 0.147 0.000 0.934 252 T HN 0.287 nan 8.240 nan 0.000 0.497 253 D N 1.531 121.949 120.400 0.030 0.000 2.144 253 D HA -0.057 4.583 4.640 0.000 0.000 0.199 253 D C 2.429 178.731 176.300 0.003 0.000 0.984 253 D CA 1.272 55.277 54.000 0.008 0.000 0.834 253 D CB -0.213 40.587 40.800 -0.000 0.000 0.955 253 D HN 0.466 nan 8.370 nan 0.000 0.465 254 R N 0.694 121.196 120.500 0.002 0.000 2.357 254 R HA 0.052 4.392 4.340 0.000 0.000 0.202 254 R C 2.123 178.421 176.300 -0.004 0.000 1.047 254 R CA 0.442 56.541 56.100 -0.002 0.000 1.034 254 R CB -1.429 28.867 30.300 -0.006 0.000 0.875 254 R HN 0.303 nan 8.270 nan 0.000 0.473 255 L N -0.429 120.791 121.223 -0.005 0.000 2.556 255 L HA 0.310 4.650 4.340 0.000 0.000 0.226 255 L C 0.327 177.192 176.870 -0.008 0.000 1.089 255 L CA -0.242 54.592 54.840 -0.011 0.000 0.864 255 L CB 0.141 42.187 42.059 -0.022 0.000 1.067 255 L HN 0.208 nan 8.230 nan 0.000 0.477 256 L N 1.946 123.167 121.223 -0.004 0.000 2.499 256 L HA 0.027 4.367 4.340 0.000 0.000 0.273 256 L C 0.308 177.188 176.870 0.018 0.000 1.195 256 L CA -0.086 54.754 54.840 0.000 0.000 0.882 256 L CB 0.558 42.619 42.059 0.004 0.000 1.133 256 L HN 0.189 nan 8.230 nan 0.000 0.483 257 M N 1.461 121.079 119.600 0.030 0.000 2.180 257 M HA 0.316 4.796 4.480 0.000 0.000 0.358 257 M C 0.726 177.076 176.300 0.083 0.000 1.233 257 M CA 0.014 55.350 55.300 0.060 0.000 1.114 257 M CB 1.051 33.700 32.600 0.081 0.000 1.594 257 M HN 0.435 nan 8.290 nan 0.000 0.467 258 T N 1.336 115.933 114.554 0.072 0.000 2.453 258 T HA -0.036 4.314 4.350 0.000 0.000 0.243 258 T C 0.535 175.297 174.700 0.103 0.000 1.254 258 T CA 1.283 63.424 62.100 0.068 0.000 1.327 258 T CB -0.251 68.641 68.868 0.038 0.000 0.885 258 T HN 0.801 nan 8.240 nan 0.000 0.391 259 E N 0.385 120.626 120.200 0.068 0.000 2.504 259 E HA 0.572 4.922 4.350 0.000 0.000 0.253 259 E C -1.040 175.643 176.600 0.139 0.000 1.151 259 E CA -0.664 55.750 56.400 0.024 0.000 0.972 259 E CB 0.833 30.463 29.700 -0.117 0.000 1.247 259 E HN 0.460 nan 8.360 nan 0.000 0.519 260 F N -1.854 118.083 119.950 -0.021 0.000 2.619 260 F HA 0.442 4.969 4.527 0.000 0.000 0.308 260 F C 0.265 176.058 175.800 -0.012 0.000 1.097 260 F CA -0.843 57.153 58.000 -0.006 0.000 0.953 260 F CB 1.158 40.116 39.000 -0.071 0.000 1.287 260 F HN 0.201 nan 8.300 nan 0.000 0.446 261 E N 0.705 121.015 120.200 0.184 0.000 2.415 261 E HA 0.169 4.519 4.350 0.000 0.000 0.197 261 E C -0.262 176.450 176.600 0.185 0.000 1.007 261 E CA 0.554 57.008 56.400 0.090 0.000 0.890 261 E CB 0.823 30.574 29.700 0.085 0.000 0.891 261 E HN 0.728 nan 8.360 nan 0.000 0.496 262 T N 0.591 115.362 114.554 0.362 0.000 2.909 262 T HA 0.414 4.764 4.350 0.000 0.000 0.299 262 T C -0.957 174.000 174.700 0.428 0.000 1.073 262 T CA -0.745 61.561 62.100 0.344 0.000 0.999 262 T CB 2.850 71.876 68.868 0.262 0.000 1.098 262 T HN -0.072 nan 8.240 nan 0.000 0.477 263 E N 1.748 122.132 120.200 0.306 0.000 2.308 263 E HA 0.645 4.995 4.350 0.000 0.000 0.275 263 E C -1.904 174.798 176.600 0.170 0.000 0.890 263 E CA -0.712 55.820 56.400 0.220 0.000 0.754 263 E CB 1.720 31.476 29.700 0.093 0.000 1.207 263 E HN 0.389 nan 8.360 nan 0.000 0.426 264 V N 3.128 123.133 119.914 0.152 0.000 2.841 264 V HA 0.436 4.556 4.120 0.000 0.000 0.310 264 V C -0.742 175.262 176.094 -0.150 0.000 1.090 264 V CA -0.881 61.379 62.300 -0.066 0.000 0.930 264 V CB 2.026 33.769 31.823 -0.134 0.000 1.014 264 V HN 0.546 nan 8.190 nan 0.000 0.425 265 V N 4.332 124.069 119.914 -0.295 0.000 2.409 265 V HA 0.625 4.745 4.120 0.000 0.000 0.291 265 V C -0.840 175.091 176.094 -0.272 0.000 1.020 265 V CA -0.335 61.870 62.300 -0.159 0.000 0.848 265 V CB 1.272 33.052 31.823 -0.072 0.000 0.990 265 V HN 0.680 nan 8.190 nan 0.000 0.430 266 F N 1.807 121.763 119.950 0.010 0.000 2.598 266 F HA 0.460 4.987 4.527 -0.000 0.000 0.327 266 F C 0.433 176.230 175.800 -0.006 0.000 1.057 266 F CA -1.102 56.903 58.000 0.009 0.000 0.957 266 F CB 1.395 40.404 39.000 0.015 0.000 1.278 266 F HN 0.461 nan 8.300 nan 0.000 0.484 267 N N -0.012 118.815 118.700 0.212 0.000 2.442 267 N HA 0.096 4.836 4.740 0.000 0.000 0.265 267 N C 0.729 176.280 175.510 0.068 0.000 1.138 267 N CA 0.152 53.261 53.050 0.098 0.000 0.956 267 N CB 0.904 39.433 38.487 0.069 0.000 1.067 267 N HN 0.626 nan 8.380 nan 0.000 0.474 268 T N 2.308 116.880 114.554 0.031 0.000 2.624 268 T HA -0.316 4.034 4.350 0.000 0.000 0.268 268 T C 1.517 176.165 174.700 -0.087 0.000 1.041 268 T CA 1.574 63.664 62.100 -0.018 0.000 1.159 268 T CB -0.339 68.517 68.868 -0.019 0.000 0.863 268 T HN 0.688 nan 8.240 nan 0.000 0.434 269 Q N 0.539 120.269 119.800 -0.117 0.000 2.046 269 Q HA -0.137 4.203 4.340 0.000 0.000 0.200 269 Q C 2.567 178.341 176.000 -0.377 0.000 0.975 269 Q CA 1.844 57.486 55.803 -0.270 0.000 0.836 269 Q CB -0.179 28.427 28.738 -0.220 0.000 0.896 269 Q HN 0.677 nan 8.270 nan 0.000 0.428 270 S N 0.348 115.957 115.700 -0.152 0.000 2.382 270 S HA -0.177 4.293 4.470 0.000 0.000 0.228 270 S C 1.898 176.477 174.600 -0.035 0.000 1.027 270 S CA 1.140 59.315 58.200 -0.041 0.000 0.991 270 S CB -0.478 62.749 63.200 0.046 0.000 0.823 270 S HN 0.435 nan 8.310 nan 0.000 0.469 271 L N 1.878 123.060 121.223 -0.070 0.000 2.093 271 L HA 0.195 4.535 4.340 0.000 0.000 0.208 271 L C 2.667 179.475 176.870 -0.103 0.000 1.085 271 L CA 1.676 56.440 54.840 -0.126 0.000 0.755 271 L CB -0.844 41.057 42.059 -0.262 0.000 0.904 271 L HN 0.350 nan 8.230 nan 0.000 0.435 272 R N -1.831 118.591 120.500 -0.130 0.000 2.075 272 R HA -0.179 4.161 4.340 0.000 0.000 0.232 272 R C 2.320 178.626 176.300 0.010 0.000 1.126 272 R CA 1.380 57.423 56.100 -0.095 0.000 0.963 272 R CB -0.273 29.933 30.300 -0.158 0.000 0.858 272 R HN 0.463 nan 8.270 nan 0.000 0.435 273 H N 0.048 119.114 119.070 -0.006 0.000 2.353 273 H HA -0.030 4.526 4.556 -0.000 0.000 0.300 273 H C 1.928 177.260 175.328 0.007 0.000 1.090 273 H CA 1.485 57.536 56.048 0.004 0.000 1.327 273 H CB -0.489 29.277 29.762 0.006 0.000 1.383 273 H HN 0.402 nan 8.280 nan 0.000 0.508 274 A N 1.051 123.944 122.820 0.120 0.000 1.877 274 A HA -0.151 4.169 4.320 0.000 0.000 0.216 274 A C 2.391 180.005 177.584 0.050 0.000 1.186 274 A CA 1.709 53.781 52.037 0.059 0.000 0.620 274 A CB -0.356 18.654 19.000 0.017 0.000 0.822 274 A HN 0.169 nan 8.150 nan 0.000 0.443 275 M N -0.196 119.433 119.600 0.048 0.000 2.296 275 M HA -0.100 4.380 4.480 0.000 0.000 0.265 275 M C 1.760 178.123 176.300 0.105 0.000 1.064 275 M CA 1.186 56.528 55.300 0.069 0.000 1.109 275 M CB -1.453 31.191 32.600 0.074 0.000 1.396 275 M HN 0.540 nan 8.290 nan 0.000 0.430 276 E N -0.103 120.163 120.200 0.109 0.000 2.106 276 E HA -0.149 4.201 4.350 0.000 0.000 0.192 276 E C 2.182 178.876 176.600 0.156 0.000 0.984 276 E CA 0.829 57.315 56.400 0.144 0.000 0.806 276 E CB -0.043 29.737 29.700 0.132 0.000 0.750 276 E HN 0.512 nan 8.360 nan 0.000 0.458 277 R N 0.484 121.043 120.500 0.099 0.000 2.092 277 R HA -0.023 4.317 4.340 0.000 0.000 0.231 277 R C 2.378 178.712 176.300 0.055 0.000 1.119 277 R CA 0.970 57.108 56.100 0.062 0.000 0.970 277 R CB -0.245 30.076 30.300 0.035 0.000 0.864 277 R HN 0.082 nan 8.270 nan 0.000 0.440 278 A N 0.911 123.770 122.820 0.064 0.000 1.933 278 A HA -0.192 4.128 4.320 0.000 0.000 0.218 278 A C 1.905 179.536 177.584 0.079 0.000 1.175 278 A CA 1.064 53.126 52.037 0.041 0.000 0.628 278 A CB -0.551 18.460 19.000 0.018 0.000 0.814 278 A HN 0.344 nan 8.150 nan 0.000 0.444 279 F N 0.545 120.481 119.950 -0.023 0.000 2.186 279 F HA -0.036 4.491 4.527 0.000 0.000 0.299 279 F C 1.753 177.541 175.800 -0.020 0.000 1.090 279 F CA 1.113 59.100 58.000 -0.023 0.000 1.307 279 F CB -0.319 38.678 39.000 -0.005 0.000 1.019 279 F HN 0.124 nan 8.300 nan 0.000 0.489 280 L N -0.246 120.923 121.223 -0.090 0.000 2.349 280 L HA -0.231 4.109 4.340 0.000 0.000 0.220 280 L C 1.797 178.551 176.870 -0.193 0.000 1.130 280 L CA 0.450 55.183 54.840 -0.179 0.000 0.791 280 L CB -0.435 41.594 42.059 -0.050 0.000 0.918 280 L HN 0.223 nan 8.230 nan 0.000 0.444 281 I N -1.760 118.719 120.570 -0.151 0.000 3.300 281 I HA -0.059 4.111 4.170 0.000 0.000 0.279 281 I C 2.635 178.669 176.117 -0.138 0.000 1.172 281 I CA 1.143 62.371 61.300 -0.119 0.000 1.431 281 I CB -0.936 37.026 38.000 -0.064 0.000 1.240 281 I HN 0.179 nan 8.210 nan 0.000 0.453 282 S N 1.199 116.819 115.700 -0.133 0.000 2.423 282 S HA -0.173 4.297 4.470 0.000 0.000 0.231 282 S C 1.723 176.222 174.600 -0.169 0.000 1.014 282 S CA 1.544 59.678 58.200 -0.109 0.000 0.965 282 S CB -0.737 62.435 63.200 -0.048 0.000 0.785 282 S HN 0.385 nan 8.310 nan 0.000 0.495 283 N N 2.148 120.629 118.700 -0.365 0.000 2.381 283 N HA 0.113 4.853 4.740 0.000 0.000 0.182 283 N C 1.691 177.052 175.510 -0.249 0.000 1.025 283 N CA 1.076 53.852 53.050 -0.457 0.000 0.888 283 N CB -0.614 37.239 38.487 -1.057 0.000 0.965 283 N HN 0.535 nan 8.380 nan 0.000 0.438 284 A N -0.984 121.716 122.820 -0.200 0.000 1.902 284 A HA -0.032 4.288 4.320 0.000 0.000 0.217 284 A C 1.109 178.640 177.584 -0.087 0.000 1.181 284 A CA 1.329 53.291 52.037 -0.125 0.000 0.623 284 A CB -0.761 18.178 19.000 -0.102 0.000 0.818 284 A HN 0.303 nan 8.150 nan 0.000 0.443 285 T N 1.801 116.307 114.554 -0.080 0.000 2.744 285 T HA 0.384 4.734 4.350 0.000 0.000 0.291 285 T C -0.276 174.397 174.700 -0.046 0.000 0.957 285 T CA -0.326 61.743 62.100 -0.053 0.000 1.002 285 T CB 0.914 69.756 68.868 -0.044 0.000 0.919 285 T HN 0.476 nan 8.240 nan 0.000 0.468 286 Q N 2.628 122.409 119.800 -0.031 0.000 2.326 286 Q HA -0.013 4.327 4.340 0.000 0.000 0.314 286 Q C 0.465 176.454 176.000 -0.017 0.000 1.091 286 Q CA 0.068 55.859 55.803 -0.019 0.000 0.974 286 Q CB 0.052 28.785 28.738 -0.008 0.000 1.220 286 Q HN 0.617 nan 8.270 nan 0.000 0.398 287 N N -0.895 117.796 118.700 -0.016 0.000 2.753 287 N HA -0.161 4.579 4.740 0.000 0.000 0.251 287 N C -0.078 175.416 175.510 -0.027 0.000 1.097 287 N CA 0.992 54.030 53.050 -0.021 0.000 0.786 287 N CB -1.331 37.153 38.487 -0.005 0.000 1.137 287 N HN 0.780 nan 8.380 nan 0.000 0.566 288 G N -0.352 108.430 108.800 -0.031 0.000 2.484 288 G HA2 0.358 4.318 3.960 0.000 0.000 0.235 288 G HA3 0.358 4.318 3.960 0.000 0.000 0.235 288 G C 0.499 175.372 174.900 -0.046 0.000 1.282 288 G CA 0.741 45.817 45.100 -0.040 0.000 0.857 288 G HN 0.454 nan 8.290 nan 0.000 0.571 289 T N -2.162 112.354 114.554 -0.063 0.000 2.865 289 T HA 0.632 4.982 4.350 0.000 0.000 0.294 289 T C -0.669 173.935 174.700 -0.160 0.000 1.119 289 T CA -0.834 61.200 62.100 -0.110 0.000 1.007 289 T CB 1.863 70.675 68.868 -0.094 0.000 1.225 289 T HN 0.892 nan 8.240 nan 0.000 0.515 290 V N 0.391 120.112 119.914 -0.321 0.000 2.769 290 V HA 0.744 4.864 4.120 0.000 0.000 0.312 290 V C -0.689 175.168 176.094 -0.395 0.000 1.058 290 V CA -0.993 61.100 62.300 -0.345 0.000 0.952 290 V CB 1.655 33.218 31.823 -0.433 0.000 1.019 290 V HN 1.089 nan 8.190 nan 0.000 0.445 291 K N 5.059 125.341 120.400 -0.197 0.000 2.394 291 K HA 0.514 4.834 4.320 0.000 0.000 0.260 291 K C -1.621 174.957 176.600 -0.037 0.000 0.967 291 K CA -0.702 55.533 56.287 -0.085 0.000 0.855 291 K CB 1.432 33.956 32.500 0.040 0.000 1.101 291 K HN 0.575 nan 8.250 nan 0.000 0.433 292 L N 4.262 125.475 121.223 -0.017 0.000 2.257 292 L HA 0.306 4.646 4.340 0.000 0.000 0.290 292 L C -0.877 176.008 176.870 0.025 0.000 1.044 292 L CA 0.176 55.031 54.840 0.026 0.000 0.810 292 L CB 1.214 43.345 42.059 0.120 0.000 1.193 292 L HN 0.625 nan 8.230 nan 0.000 0.425 293 E N 5.935 126.181 120.200 0.077 0.000 2.073 293 E HA 0.387 4.737 4.350 0.000 0.000 0.269 293 E C -0.918 175.727 176.600 0.076 0.000 0.917 293 E CA -0.135 56.318 56.400 0.089 0.000 0.757 293 E CB 1.215 31.033 29.700 0.197 0.000 1.111 293 E HN 0.505 nan 8.360 nan 0.000 0.410 294 I N 3.533 124.098 120.570 -0.009 0.000 2.330 294 I HA 0.261 4.431 4.170 0.000 0.000 0.289 294 I C 0.237 176.351 176.117 -0.005 0.000 1.001 294 I CA -0.266 61.030 61.300 -0.007 0.000 1.193 294 I CB 1.196 39.130 38.000 -0.111 0.000 1.345 294 I HN 0.460 nan 8.210 nan 0.000 0.461 295 T N 1.185 115.759 114.554 0.034 0.000 2.865 295 T HA 0.342 4.692 4.350 0.000 0.000 0.294 295 T C -0.504 174.219 174.700 0.039 0.000 1.119 295 T CA -1.050 61.053 62.100 0.005 0.000 1.007 295 T CB 1.320 70.153 68.868 -0.059 0.000 1.225 295 T HN 0.458 nan 8.240 nan 0.000 0.515 296 Q N 2.253 122.067 119.800 0.022 0.000 2.362 296 Q HA 0.033 4.373 4.340 0.000 0.000 0.305 296 Q C -0.127 175.911 176.000 0.062 0.000 1.120 296 Q CA 0.308 56.130 55.803 0.031 0.000 1.011 296 Q CB -0.224 28.525 28.738 0.018 0.000 1.048 296 Q HN 0.641 nan 8.270 nan 0.000 0.386 297 N N 2.764 121.498 118.700 0.056 0.000 2.714 297 N HA -0.226 4.514 4.740 0.000 0.000 0.253 297 N C -1.030 174.557 175.510 0.130 0.000 1.024 297 N CA 1.094 54.181 53.050 0.062 0.000 0.726 297 N CB -1.217 37.297 38.487 0.045 0.000 0.908 297 N HN 0.677 nan 8.380 nan 0.000 0.542 298 H N -0.095 118.981 119.070 0.009 0.000 3.343 298 H HA 0.289 4.845 4.556 0.000 0.000 0.330 298 H C -1.640 173.708 175.328 0.033 0.000 1.405 298 H CA -0.470 55.592 56.048 0.024 0.000 1.622 298 H CB 0.199 29.977 29.762 0.026 0.000 2.184 298 H HN 0.054 nan 8.280 nan 0.000 0.433 299 I N 4.219 124.856 120.570 0.112 0.000 2.465 299 I HA 0.382 4.552 4.170 0.000 0.000 0.291 299 I C 0.226 176.386 176.117 0.072 0.000 1.014 299 I CA -0.483 60.911 61.300 0.158 0.000 1.093 299 I CB 1.485 39.583 38.000 0.164 0.000 1.267 299 I HN 0.616 nan 8.210 nan 0.000 0.431 300 S N 3.892 119.649 115.700 0.095 0.000 2.564 300 S HA 0.929 5.399 4.470 0.000 0.000 0.274 300 S C -0.793 173.599 174.600 -0.347 0.000 1.124 300 S CA -0.800 57.348 58.200 -0.086 0.000 0.869 300 S CB 2.394 65.633 63.200 0.065 0.000 1.105 300 S HN 0.804 nan 8.310 nan 0.000 0.472 301 A N 2.145 124.670 122.820 -0.493 0.000 2.324 301 A HA 0.829 5.149 4.320 0.000 0.000 0.330 301 A C -0.757 176.380 177.584 -0.745 0.000 1.165 301 A CA -0.622 51.137 52.037 -0.463 0.000 0.813 301 A CB 0.608 19.490 19.000 -0.197 0.000 1.197 301 A HN 0.894 nan 8.150 nan 0.000 0.484 302 H N 0.439 119.492 119.070 -0.029 0.000 2.865 302 H HA 0.599 5.155 4.556 0.000 0.000 0.362 302 H C -1.522 173.773 175.328 -0.055 0.000 1.114 302 H CA -0.527 55.503 56.048 -0.030 0.000 1.208 302 H CB 1.787 31.537 29.762 -0.020 0.000 1.727 302 H HN 0.423 nan 8.280 nan 0.000 0.534 303 V N 2.603 122.559 119.914 0.069 0.000 2.888 303 V HA 0.290 4.410 4.120 0.000 0.000 0.309 303 V C -0.294 175.807 176.094 0.011 0.000 1.114 303 V CA -0.860 61.445 62.300 0.009 0.000 0.940 303 V CB 2.594 34.404 31.823 -0.022 0.000 1.021 303 V HN 0.708 nan 8.190 nan 0.000 0.426 304 N N 1.917 120.613 118.700 -0.007 0.000 2.581 304 N HA 0.311 5.051 4.740 0.000 0.000 0.279 304 N C -1.227 174.270 175.510 -0.022 0.000 1.124 304 N CA -0.149 52.895 53.050 -0.011 0.000 0.833 304 N CB 1.977 40.458 38.487 -0.010 0.000 1.338 304 N HN 0.606 nan 8.380 nan 0.000 0.533 305 S N 3.886 119.570 115.700 -0.026 0.000 2.420 305 S HA 0.304 4.774 4.470 0.000 0.000 0.313 305 S C -1.472 173.112 174.600 -0.026 0.000 1.079 305 S CA -1.030 57.151 58.200 -0.032 0.000 1.104 305 S CB 1.802 64.975 63.200 -0.044 0.000 0.969 305 S HN 0.422 nan 8.310 nan 0.000 0.471 306 P HA -0.200 nan 4.420 nan 0.000 0.218 306 P C 1.188 178.476 177.300 -0.019 0.000 1.146 306 P CA 1.102 64.190 63.100 -0.019 0.000 0.820 306 P CB 0.401 32.091 31.700 -0.017 0.000 0.778 307 E N -0.795 119.391 120.200 -0.023 0.000 2.075 307 E HA -0.082 4.268 4.350 0.000 0.000 0.193 307 E C 1.861 178.447 176.600 -0.024 0.000 0.950 307 E CA 0.837 57.224 56.400 -0.023 0.000 0.859 307 E CB -0.310 29.375 29.700 -0.025 0.000 0.846 307 E HN 0.007 nan 8.360 nan 0.000 0.467 308 V N -1.397 118.498 119.914 -0.031 0.000 2.323 308 V HA 0.281 4.401 4.120 0.000 0.000 0.244 308 V C 1.126 177.203 176.094 -0.028 0.000 1.041 308 V CA 1.320 63.601 62.300 -0.032 0.000 1.025 308 V CB -0.555 31.242 31.823 -0.044 0.000 0.656 308 V HN 0.450 nan 8.190 nan 0.000 0.451 309 G N -1.006 107.778 108.800 -0.027 0.000 2.360 309 G HA2 0.447 4.407 3.960 0.000 0.000 0.276 309 G HA3 0.447 4.407 3.960 0.000 0.000 0.276 309 G C -1.623 173.267 174.900 -0.017 0.000 1.256 309 G CA -0.639 44.448 45.100 -0.020 0.000 0.890 309 G HN 0.380 nan 8.290 nan 0.000 0.486 310 K N -1.242 119.152 120.400 -0.009 0.000 2.480 310 K HA 0.742 5.062 4.320 0.000 0.000 0.258 310 K C -1.479 175.127 176.600 0.010 0.000 0.990 310 K CA -0.832 55.456 56.287 0.001 0.000 0.857 310 K CB 3.083 35.587 32.500 0.007 0.000 1.384 310 K HN 0.378 nan 8.250 nan 0.000 0.446 311 V N 1.880 121.810 119.914 0.027 0.000 2.525 311 V HA 0.352 4.472 4.120 0.000 0.000 0.299 311 V C -1.087 175.058 176.094 0.085 0.000 1.034 311 V CA -0.910 61.410 62.300 0.033 0.000 0.863 311 V CB 1.637 33.464 31.823 0.008 0.000 0.999 311 V HN 0.761 nan 8.190 nan 0.000 0.423 312 N N 3.895 122.648 118.700 0.088 0.000 2.540 312 N HA 0.336 5.076 4.740 0.000 0.000 0.275 312 N C -1.198 174.345 175.510 0.055 0.000 1.053 312 N CA -0.219 52.930 53.050 0.165 0.000 0.876 312 N CB 2.179 40.767 38.487 0.168 0.000 1.284 312 N HN 0.894 nan 8.380 nan 0.000 0.518 313 E N 2.727 122.903 120.200 -0.040 0.000 2.263 313 E HA 0.236 4.586 4.350 0.000 0.000 0.268 313 E C -1.450 175.102 176.600 -0.080 0.000 0.884 313 E CA -0.599 55.772 56.400 -0.047 0.000 0.766 313 E CB 1.206 30.881 29.700 -0.042 0.000 1.196 313 E HN 0.398 nan 8.360 nan 0.000 0.416 314 D N 3.519 123.890 120.400 -0.049 0.000 2.348 314 D HA 0.203 4.843 4.640 0.000 0.000 0.253 314 D C -0.448 175.832 176.300 -0.035 0.000 1.161 314 D CA 0.209 54.162 54.000 -0.077 0.000 0.876 314 D CB 0.763 41.505 40.800 -0.096 0.000 1.160 314 D HN 0.279 nan 8.370 nan 0.000 0.459 315 L N 2.452 123.672 121.223 -0.005 0.000 2.282 315 L HA 0.268 4.608 4.340 0.000 0.000 0.288 315 L C 0.337 177.272 176.870 0.108 0.000 1.033 315 L CA -0.959 53.930 54.840 0.081 0.000 0.807 315 L CB 1.194 43.352 42.059 0.165 0.000 1.209 315 L HN 0.325 nan 8.230 nan 0.000 0.423 316 D N 4.155 124.620 120.400 0.108 0.000 2.382 316 D HA 0.392 5.032 4.640 0.000 0.000 0.245 316 D C -0.420 175.956 176.300 0.128 0.000 1.120 316 D CA -0.006 54.044 54.000 0.083 0.000 0.890 316 D CB 1.063 41.903 40.800 0.066 0.000 1.201 316 D HN 0.428 nan 8.370 nan 0.000 0.433 317 I N 0.086 120.667 120.570 0.018 0.000 3.108 317 I HA 0.407 4.578 4.170 0.000 0.000 0.312 317 I C 0.047 176.110 176.117 -0.090 0.000 1.095 317 I CA -0.956 60.278 61.300 -0.109 0.000 1.000 317 I CB 1.885 39.704 38.000 -0.302 0.000 1.229 317 I HN 0.159 nan 8.210 nan 0.000 0.454 318 V N 1.392 121.225 119.914 -0.136 0.000 2.492 318 V HA 0.159 4.279 4.120 0.000 0.000 0.241 318 V C 0.769 176.816 176.094 -0.078 0.000 1.041 318 V CA 1.403 63.659 62.300 -0.073 0.000 1.057 318 V CB -0.039 31.756 31.823 -0.048 0.000 0.711 318 V HN 0.967 nan 8.190 nan 0.000 0.468 319 S N -0.012 115.616 115.700 -0.121 0.000 2.565 319 S HA 0.607 5.077 4.470 0.000 0.000 0.274 319 S C -1.305 173.233 174.600 -0.103 0.000 1.144 319 S CA -0.849 57.302 58.200 -0.081 0.000 0.849 319 S CB 2.077 65.253 63.200 -0.039 0.000 1.103 319 S HN 0.526 nan 8.310 nan 0.000 0.455 320 Q N 0.196 119.963 119.800 -0.055 0.000 2.553 320 Q HA 0.889 5.229 4.340 0.000 0.000 0.293 320 Q C -1.293 174.717 176.000 0.016 0.000 1.038 320 Q CA -0.979 54.805 55.803 -0.031 0.000 0.777 320 Q CB 2.071 30.783 28.738 -0.044 0.000 1.487 320 Q HN 1.556 nan 8.270 nan 0.000 0.426 321 S N -1.163 114.567 115.700 0.050 0.000 2.586 321 S HA 0.809 5.279 4.470 0.000 0.000 0.277 321 S C -0.051 174.603 174.600 0.090 0.000 1.131 321 S CA -0.095 58.143 58.200 0.064 0.000 0.848 321 S CB 1.044 64.290 63.200 0.078 0.000 1.091 321 S HN 1.966 nan 8.310 nan 0.000 0.453 322 G N 1.266 110.105 108.800 0.065 0.000 2.549 322 G HA2 0.305 4.265 3.960 0.000 0.000 0.404 322 G HA3 0.305 4.265 3.960 0.000 0.000 0.404 322 G C -0.181 174.744 174.900 0.043 0.000 1.292 322 G CA -0.105 45.033 45.100 0.064 0.000 0.935 322 G HN 2.246 nan 8.290 nan 0.000 0.512 323 S N -0.091 115.633 115.700 0.039 0.000 2.632 323 S HA 0.591 5.061 4.470 0.000 0.000 0.267 323 S C 0.001 174.608 174.600 0.011 0.000 1.276 323 S CA 0.133 58.345 58.200 0.021 0.000 0.998 323 S CB 1.392 64.602 63.200 0.017 0.000 0.953 323 S HN 0.756 nan 8.310 nan 0.000 0.547 324 D N 0.164 120.562 120.400 -0.004 0.000 2.368 324 D HA 0.594 5.234 4.640 0.000 0.000 0.240 324 D C -0.366 175.911 176.300 -0.037 0.000 1.169 324 D CA 0.112 54.099 54.000 -0.021 0.000 0.906 324 D CB 0.366 41.152 40.800 -0.023 0.000 1.187 324 D HN 0.467 nan 8.370 nan 0.000 0.435 325 L N -0.068 121.113 121.223 -0.071 0.000 2.672 325 L HA 0.410 4.750 4.340 0.000 0.000 0.256 325 L C -1.459 175.344 176.870 -0.111 0.000 0.946 325 L CA -0.168 54.614 54.840 -0.096 0.000 0.889 325 L CB 2.350 44.315 42.059 -0.156 0.000 1.441 325 L HN 0.341 nan 8.230 nan 0.000 0.418 326 T N 4.914 119.425 114.554 -0.072 0.000 2.840 326 T HA 0.711 5.061 4.350 0.000 0.000 0.287 326 T C -1.019 173.665 174.700 -0.026 0.000 0.991 326 T CA -0.137 61.937 62.100 -0.043 0.000 0.964 326 T CB 0.920 69.782 68.868 -0.010 0.000 0.954 326 T HN 0.599 nan 8.240 nan 0.000 0.438 327 I N 1.744 122.303 120.570 -0.018 0.000 2.769 327 I HA 0.634 4.804 4.170 0.000 0.000 0.298 327 I C -0.959 175.237 176.117 0.131 0.000 1.128 327 I CA -0.426 60.917 61.300 0.072 0.000 1.031 327 I CB 1.996 40.034 38.000 0.064 0.000 1.235 327 I HN 0.508 nan 8.210 nan 0.000 0.423 328 S N 6.324 122.122 115.700 0.163 0.000 2.500 328 S HA 0.809 5.279 4.470 0.000 0.000 0.301 328 S C -1.110 173.623 174.600 0.222 0.000 1.092 328 S CA -0.441 57.790 58.200 0.051 0.000 1.030 328 S CB 1.348 64.558 63.200 0.016 0.000 1.031 328 S HN 0.469 nan 8.310 nan 0.000 0.483 329 F N -0.141 119.886 119.950 0.128 0.000 2.713 329 F HA 0.539 5.066 4.527 -0.000 0.000 0.311 329 F C -0.738 175.118 175.800 0.093 0.000 1.141 329 F CA -1.244 56.867 58.000 0.186 0.000 0.939 329 F CB 0.875 40.102 39.000 0.377 0.000 1.325 329 F HN 0.415 nan 8.300 nan 0.000 0.453 330 N N 2.544 121.361 118.700 0.194 0.000 2.416 330 N HA 0.207 4.948 4.740 0.000 0.000 0.265 330 N C -1.993 173.568 175.510 0.085 0.000 1.195 330 N CA -1.470 51.536 53.050 -0.074 0.000 0.943 330 N CB 1.210 39.399 38.487 -0.496 0.000 1.115 330 N HN 0.367 nan 8.380 nan 0.000 0.481 331 P HA -0.136 nan 4.420 nan 0.000 0.216 331 P C 1.136 178.490 177.300 0.090 0.000 1.154 331 P CA 1.601 64.808 63.100 0.178 0.000 0.865 331 P CB 0.162 31.933 31.700 0.119 0.000 0.789 332 T N -1.594 112.892 114.554 -0.113 0.000 2.721 332 T HA -0.223 4.127 4.350 0.000 0.000 0.268 332 T C 1.442 176.192 174.700 0.084 0.000 1.038 332 T CA 1.382 63.336 62.100 -0.243 0.000 1.145 332 T CB -0.919 67.739 68.868 -0.350 0.000 0.858 332 T HN 0.046 nan 8.240 nan 0.000 0.459 333 Y N 0.581 120.906 120.300 0.042 0.000 2.181 333 Y HA 0.041 4.591 4.550 -0.000 0.000 0.288 333 Y C 2.218 178.145 175.900 0.046 0.000 1.146 333 Y CA -0.200 57.940 58.100 0.067 0.000 1.164 333 Y CB -1.251 37.272 38.460 0.105 0.000 0.982 333 Y HN 0.148 nan 8.280 nan 0.000 0.515 334 L N 0.124 121.506 121.223 0.266 0.000 2.056 334 L HA -0.118 4.222 4.340 0.000 0.000 0.207 334 L C 2.129 179.029 176.870 0.051 0.000 1.078 334 L CA 1.368 56.292 54.840 0.139 0.000 0.749 334 L CB -0.936 41.254 42.059 0.218 0.000 0.901 334 L HN 0.122 nan 8.230 nan 0.000 0.433 335 I N -0.420 120.173 120.570 0.039 0.000 2.163 335 I HA -0.337 3.833 4.170 0.000 0.000 0.243 335 I C 2.382 178.442 176.117 -0.094 0.000 1.085 335 I CA 1.759 63.036 61.300 -0.039 0.000 1.347 335 I CB -0.420 37.528 38.000 -0.087 0.000 1.044 335 I HN 0.358 nan 8.210 nan 0.000 0.408 336 E N 0.310 120.449 120.200 -0.103 0.000 2.106 336 E HA -0.156 4.194 4.350 0.000 0.000 0.192 336 E C 2.333 178.710 176.600 -0.372 0.000 0.984 336 E CA 1.309 57.552 56.400 -0.261 0.000 0.806 336 E CB -0.003 29.591 29.700 -0.177 0.000 0.750 336 E HN 0.348 nan 8.360 nan 0.000 0.458 337 S N 0.742 116.370 115.700 -0.120 0.000 2.383 337 S HA -0.076 4.394 4.470 0.000 0.000 0.227 337 S C 1.950 176.505 174.600 -0.076 0.000 1.026 337 S CA 0.712 58.888 58.200 -0.041 0.000 0.981 337 S CB -0.069 63.119 63.200 -0.020 0.000 0.818 337 S HN 0.190 nan 8.310 nan 0.000 0.472 338 L N 1.128 122.298 121.223 -0.088 0.000 2.141 338 L HA -0.032 4.308 4.340 0.000 0.000 0.209 338 L C 2.458 179.278 176.870 -0.084 0.000 1.094 338 L CA 1.054 55.847 54.840 -0.077 0.000 0.763 338 L CB -0.389 41.620 42.059 -0.083 0.000 0.908 338 L HN 0.241 nan 8.230 nan 0.000 0.437 339 K N 0.749 121.068 120.400 -0.136 0.000 2.147 339 K HA -0.138 4.182 4.320 0.000 0.000 0.205 339 K C 1.948 178.480 176.600 -0.114 0.000 1.049 339 K CA 1.201 57.405 56.287 -0.138 0.000 0.936 339 K CB -0.019 32.366 32.500 -0.193 0.000 0.722 339 K HN 0.274 nan 8.250 nan 0.000 0.446 340 A N 0.637 123.382 122.820 -0.125 0.000 2.206 340 A HA 0.122 4.442 4.320 0.000 0.000 0.211 340 A C 0.696 178.395 177.584 0.192 0.000 1.158 340 A CA 0.223 52.284 52.037 0.040 0.000 0.761 340 A CB -0.186 18.936 19.000 0.203 0.000 0.801 340 A HN 0.223 nan 8.150 nan 0.000 0.473 341 I N 0.171 120.817 120.570 0.127 0.000 2.297 341 I HA 0.134 4.304 4.170 0.000 0.000 0.291 341 I C 0.778 176.934 176.117 0.064 0.000 1.033 341 I CA -0.304 61.083 61.300 0.145 0.000 1.253 341 I CB 1.574 39.621 38.000 0.079 0.000 1.396 341 I HN 0.147 nan 8.210 nan 0.000 0.476 342 K N 3.033 123.470 120.400 0.062 0.000 2.305 342 K HA 0.005 4.325 4.320 0.000 0.000 0.199 342 K C 0.949 177.562 176.600 0.021 0.000 1.047 342 K CA 0.294 56.596 56.287 0.025 0.000 0.976 342 K CB 0.088 32.595 32.500 0.012 0.000 0.765 342 K HN 0.735 nan 8.250 nan 0.000 0.474 343 S N 0.973 116.693 115.700 0.034 0.000 2.572 343 S HA -0.023 4.447 4.470 0.000 0.000 0.279 343 S C 1.049 175.659 174.600 0.016 0.000 1.341 343 S CA -0.505 57.710 58.200 0.025 0.000 1.043 343 S CB 1.580 64.799 63.200 0.031 0.000 0.887 343 S HN 0.264 nan 8.310 nan 0.000 0.516 344 E N 1.266 121.474 120.200 0.013 0.000 2.160 344 E HA -0.118 4.232 4.350 0.000 0.000 0.195 344 E C 0.799 177.410 176.600 0.018 0.000 0.991 344 E CA 1.360 57.767 56.400 0.011 0.000 0.810 344 E CB -0.028 29.680 29.700 0.012 0.000 0.742 344 E HN 0.886 nan 8.360 nan 0.000 0.466 345 T N -2.565 112.002 114.554 0.022 0.000 2.930 345 T HA 0.565 4.915 4.350 0.000 0.000 0.290 345 T C -0.749 173.969 174.700 0.030 0.000 1.052 345 T CA -0.902 61.219 62.100 0.035 0.000 1.017 345 T CB 2.059 70.944 68.868 0.029 0.000 1.137 345 T HN -0.057 nan 8.240 nan 0.000 0.511 346 V N 0.727 120.672 119.914 0.052 0.000 2.709 346 V HA 0.679 4.799 4.120 0.000 0.000 0.308 346 V C -1.204 174.910 176.094 0.033 0.000 1.062 346 V CA -0.904 61.410 62.300 0.024 0.000 0.901 346 V CB 1.957 33.792 31.823 0.019 0.000 1.003 346 V HN 1.043 nan 8.190 nan 0.000 0.425 347 K N 6.343 126.704 120.400 -0.066 0.000 2.265 347 K HA 0.622 4.942 4.320 0.000 0.000 0.267 347 K C -1.048 175.413 176.600 -0.232 0.000 0.994 347 K CA -0.453 55.759 56.287 -0.125 0.000 0.860 347 K CB 1.311 33.688 32.500 -0.205 0.000 1.099 347 K HN 0.652 nan 8.250 nan 0.000 0.448 348 I N 3.454 123.963 120.570 -0.101 0.000 2.378 348 I HA 0.251 4.421 4.170 0.000 0.000 0.291 348 I C -0.293 175.715 176.117 -0.182 0.000 0.992 348 I CA -0.756 60.422 61.300 -0.205 0.000 1.154 348 I CB 1.371 39.318 38.000 -0.089 0.000 1.315 348 I HN 0.531 nan 8.210 nan 0.000 0.448 349 H N 6.003 124.807 119.070 -0.443 0.000 2.511 349 H HA 0.466 5.022 4.556 0.000 0.000 0.328 349 H C -1.187 173.994 175.328 -0.244 0.000 1.044 349 H CA -0.673 55.141 56.048 -0.391 0.000 1.212 349 H CB 1.457 30.873 29.762 -0.578 0.000 1.428 349 H HN 0.351 nan 8.280 nan 0.000 0.483 350 F N 2.301 122.386 119.950 0.226 0.000 2.507 350 F HA 0.316 4.843 4.527 0.000 0.000 0.327 350 F C 0.278 176.208 175.800 0.216 0.000 1.068 350 F CA -0.656 57.471 58.000 0.212 0.000 0.965 350 F CB 1.390 40.459 39.000 0.115 0.000 1.192 350 F HN 0.317 nan 8.300 nan 0.000 0.476 351 L N 0.098 121.555 121.223 0.390 0.000 2.650 351 L HA 0.383 4.723 4.340 0.000 0.000 0.207 351 L C 0.590 177.588 176.870 0.213 0.000 1.508 351 L CA -0.240 54.754 54.840 0.258 0.000 2.903 351 L CB 0.207 42.387 42.059 0.202 0.000 2.706 351 L HN 0.697 nan 8.230 nan 0.000 0.946 352 S N -0.971 114.836 115.700 0.177 0.000 2.713 352 S HA 0.318 4.788 4.470 0.000 0.000 0.283 352 S C -2.086 172.609 174.600 0.158 0.000 1.161 352 S CA -1.167 57.115 58.200 0.136 0.000 0.999 352 S CB 1.323 64.586 63.200 0.104 0.000 1.039 352 S HN 0.084 nan 8.310 nan 0.000 0.548 353 P HA -0.021 nan 4.420 nan 0.000 0.218 353 P C 0.614 178.011 177.300 0.162 0.000 1.146 353 P CA 0.739 63.914 63.100 0.125 0.000 0.813 353 P CB 0.006 31.754 31.700 0.081 0.000 0.778 354 V N -1.348 118.653 119.914 0.145 0.000 3.271 354 V HA 0.171 4.292 4.120 0.000 0.000 0.327 354 V C 0.649 176.835 176.094 0.154 0.000 1.389 354 V CA 0.107 62.494 62.300 0.145 0.000 1.156 354 V CB -0.490 31.396 31.823 0.105 0.000 1.103 354 V HN 0.010 nan 8.190 nan 0.000 0.453 355 R N 0.966 121.577 120.500 0.185 0.000 2.664 355 R HA 0.515 4.855 4.340 0.000 0.000 0.286 355 R C -2.903 173.531 176.300 0.223 0.000 0.967 355 R CA -2.914 53.290 56.100 0.173 0.000 0.933 355 R CB 0.768 31.161 30.300 0.155 0.000 1.146 355 R HN -0.023 nan 8.270 nan 0.000 0.468 356 P HA 0.036 nan 4.420 nan 0.000 0.267 356 P C -0.741 176.621 177.300 0.104 0.000 1.205 356 P CA 0.160 63.303 63.100 0.072 0.000 0.765 356 P CB 0.168 31.856 31.700 -0.020 0.000 0.828 357 F N 0.375 120.303 119.950 -0.036 0.000 2.443 357 F HA 0.683 5.210 4.527 -0.000 0.000 0.335 357 F C 0.291 175.938 175.800 -0.255 0.000 1.104 357 F CA -1.043 56.852 58.000 -0.175 0.000 1.013 357 F CB 0.470 39.254 39.000 -0.360 0.000 1.136 357 F HN 0.186 nan 8.300 nan 0.000 0.470 358 T N 2.524 116.971 114.554 -0.178 0.000 2.928 358 T HA 0.762 5.112 4.350 0.000 0.000 0.284 358 T C -0.778 173.730 174.700 -0.320 0.000 1.008 358 T CA -0.880 61.058 62.100 -0.270 0.000 1.057 358 T CB 1.464 70.213 68.868 -0.198 0.000 1.018 358 T HN 0.623 nan 8.240 nan 0.000 0.493 359 L N 2.669 123.686 121.223 -0.345 0.000 2.408 359 L HA 0.737 5.077 4.340 0.000 0.000 0.268 359 L C 0.180 176.822 176.870 -0.380 0.000 0.986 359 L CA -0.661 53.980 54.840 -0.333 0.000 0.820 359 L CB 1.210 43.106 42.059 -0.272 0.000 1.303 359 L HN 1.186 nan 8.230 nan 0.000 0.411 360 T N -0.538 113.812 114.554 -0.340 0.000 2.916 360 T HA 0.665 5.015 4.350 0.000 0.000 0.305 360 T C -2.985 171.612 174.700 -0.171 0.000 1.119 360 T CA -1.859 60.070 62.100 -0.286 0.000 1.008 360 T CB 2.490 71.201 68.868 -0.260 0.000 1.129 360 T HN 0.375 nan 8.240 nan 0.000 0.480 361 P HA 0.132 nan 4.420 nan 0.000 0.266 361 P C 1.052 178.342 177.300 -0.018 0.000 1.193 361 P CA 0.113 63.214 63.100 0.001 0.000 0.770 361 P CB 0.462 32.217 31.700 0.091 0.000 0.836 362 G N 2.619 111.416 108.800 -0.005 0.000 2.421 362 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 362 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 362 G C 0.776 175.679 174.900 0.005 0.000 1.143 362 G CA 0.593 45.691 45.100 -0.005 0.000 0.784 362 G HN 0.579 nan 8.290 nan 0.000 0.541 363 D N 1.076 121.484 120.400 0.013 0.000 2.363 363 D HA -0.040 4.600 4.640 0.000 0.000 0.226 363 D C 0.929 177.238 176.300 0.016 0.000 1.020 363 D CA 0.368 54.377 54.000 0.015 0.000 0.892 363 D CB -0.845 39.965 40.800 0.016 0.000 0.900 363 D HN 0.619 nan 8.370 nan 0.000 0.531 364 E N 0.045 120.255 120.200 0.017 0.000 2.103 364 E HA -0.343 4.007 4.350 0.000 0.000 0.186 364 E C -0.215 176.399 176.600 0.023 0.000 1.392 364 E CA 0.624 57.035 56.400 0.020 0.000 0.691 364 E CB -1.930 27.779 29.700 0.015 0.000 1.068 364 E HN 0.607 nan 8.360 nan 0.000 0.328 365 E N 0.299 120.516 120.200 0.028 0.000 2.473 365 E HA 0.095 4.445 4.350 0.000 0.000 0.204 365 E C 0.037 176.650 176.600 0.022 0.000 0.994 365 E CA 0.232 56.644 56.400 0.019 0.000 0.945 365 E CB 0.456 30.163 29.700 0.013 0.000 0.990 365 E HN 0.475 nan 8.360 nan 0.000 0.493 366 E N 0.393 120.620 120.200 0.044 0.000 2.343 366 E HA 0.239 4.589 4.350 0.000 0.000 0.270 366 E C -1.009 175.644 176.600 0.088 0.000 0.895 366 E CA -0.473 55.961 56.400 0.056 0.000 0.767 366 E CB 2.107 31.843 29.700 0.061 0.000 1.248 366 E HN -0.171 nan 8.360 nan 0.000 0.440 367 S N 2.471 118.222 115.700 0.086 0.000 3.940 367 S HA 0.213 4.683 4.470 0.000 0.000 0.210 367 S C -1.189 173.515 174.600 0.174 0.000 1.419 367 S CA -0.464 57.791 58.200 0.092 0.000 0.912 367 S CB -0.439 62.800 63.200 0.064 0.000 1.489 367 S HN 0.381 nan 8.310 nan 0.000 0.469 368 F N 5.148 125.087 119.950 -0.018 0.000 2.375 368 F HA 0.624 5.151 4.527 0.000 0.000 0.361 368 F C -0.889 174.888 175.800 -0.039 0.000 1.117 368 F CA -1.911 56.078 58.000 -0.019 0.000 1.037 368 F CB 0.559 39.554 39.000 -0.009 0.000 1.192 368 F HN 0.272 nan 8.300 nan 0.000 0.452 369 I N 5.903 126.406 120.570 -0.111 0.000 2.465 369 I HA 0.372 4.542 4.170 0.000 0.000 0.291 369 I C -0.774 175.128 176.117 -0.358 0.000 1.014 369 I CA -0.635 60.498 61.300 -0.279 0.000 1.093 369 I CB 2.059 39.983 38.000 -0.127 0.000 1.267 369 I HN 0.473 nan 8.210 nan 0.000 0.431 370 Q N 5.204 124.741 119.800 -0.438 0.000 2.365 370 Q HA 0.651 4.992 4.340 0.000 0.000 0.269 370 Q C -1.519 174.297 176.000 -0.307 0.000 1.061 370 Q CA -0.977 54.618 55.803 -0.346 0.000 0.816 370 Q CB 3.434 31.947 28.738 -0.375 0.000 1.325 370 Q HN 0.376 nan 8.270 nan 0.000 0.446 371 L N 2.933 123.994 121.223 -0.269 0.000 2.362 371 L HA 0.591 4.931 4.340 0.000 0.000 0.275 371 L C -1.557 175.090 176.870 -0.372 0.000 0.998 371 L CA -0.274 54.383 54.840 -0.305 0.000 0.820 371 L CB 1.605 43.548 42.059 -0.193 0.000 1.270 371 L HN 0.591 nan 8.230 nan 0.000 0.415 372 I N 3.520 123.723 120.570 -0.611 0.000 2.447 372 I HA 0.298 4.468 4.170 0.000 0.000 0.287 372 I C -0.325 175.533 176.117 -0.432 0.000 1.023 372 I CA -0.486 60.454 61.300 -0.599 0.000 1.083 372 I CB 2.140 39.573 38.000 -0.946 0.000 1.245 372 I HN 0.498 nan 8.210 nan 0.000 0.434 373 T N 7.748 122.261 114.554 -0.069 0.000 2.832 373 T HA 0.277 4.627 4.350 0.000 0.000 0.296 373 T C -2.133 172.738 174.700 0.285 0.000 0.968 373 T CA -0.827 61.335 62.100 0.104 0.000 1.107 373 T CB 0.759 69.705 68.868 0.130 0.000 0.916 373 T HN 0.398 nan 8.240 nan 0.000 0.517 374 P HA 0.407 nan 4.420 nan 0.000 0.282 374 P C -1.050 176.438 177.300 0.313 0.000 1.287 374 P CA -0.553 62.823 63.100 0.459 0.000 0.792 374 P CB 0.807 32.793 31.700 0.477 0.000 1.163 375 V N 1.333 121.410 119.914 0.272 0.000 2.384 375 V HA 0.294 4.414 4.120 0.000 0.000 0.287 375 V C 0.871 177.046 176.094 0.135 0.000 1.020 375 V CA -0.762 61.643 62.300 0.176 0.000 0.850 375 V CB 0.923 32.823 31.823 0.128 0.000 0.987 375 V HN 0.410 nan 8.190 nan 0.000 0.436 376 R N 3.795 124.363 120.500 0.113 0.000 2.413 376 R HA 0.349 4.689 4.340 0.000 0.000 0.333 376 R C 0.853 177.192 176.300 0.065 0.000 1.074 376 R CA 0.359 56.512 56.100 0.088 0.000 0.982 376 R CB -0.073 30.272 30.300 0.076 0.000 0.981 376 R HN 0.952 nan 8.270 nan 0.000 0.452 377 T N 0.000 114.588 114.554 0.057 0.000 3.816 377 T HA 0.000 4.350 4.350 0.000 0.000 0.228 377 T CA 0.000 62.122 62.100 0.036 0.000 1.349 377 T CB 0.000 68.885 68.868 0.028 0.000 0.612 377 T HN 0.000 nan 8.240 nan 0.000 0.658