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 1huv_1_A DATA FIRST_RESID 4 DATA SEQUENCE NLFNVEDYRK LAQKRLPKMV YDYLEGGAED EYGVKHNRDV FQQWRFKPKR DATA SEQUENCE LVDVSRRSLQ AEVLGKRQSM PLLIGPTGLN GALWPKGDLA LARAATKAGI DATA SEQUENCE PFVLSTASNM SIEDLARQCD GDLWFQLYVI HREIAQGMVL KALHTGYTTL DATA SEQUENCE VLTTDVAVNG YRERDLHNRF KIPPFLTLKN FEGIDLGKMD XXXXEMQAAL DATA SEQUENCE MSRQMDASFN WEALRWLRDL WPHKLLVKGL LSAEDADRCI AEGADGVILS DATA SEQUENCE NHGGRQLDCA ISPMEVLAQS VAKTGKPVLI DSGFRRGSDI VKALALGAEA DATA SEQUENCE VLLGRATLYG LAARGETGVD EVLTLLKADI DRTLAQIGCP DITSLSPDYL DATA SEQUENCE QNE 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.263 175.510 -0.412 0.000 1.280 4 N CA 0.000 52.944 53.050 -0.177 0.000 0.885 4 N CB 0.000 38.542 38.487 0.093 0.000 1.341 5 L N 1.469 122.202 121.223 -0.817 0.000 2.506 5 L HA 0.475 4.815 4.340 0.000 0.000 0.247 5 L C 0.052 176.580 176.870 -0.571 0.000 1.141 5 L CA -0.322 54.129 54.840 -0.647 0.000 0.973 5 L CB -0.132 41.521 42.059 -0.677 0.000 1.319 5 L HN 0.197 nan 8.230 nan 0.000 0.455 6 F N 0.299 120.269 119.950 0.034 0.000 2.704 6 F HA 0.185 4.712 4.527 0.000 0.000 0.304 6 F C 0.820 176.680 175.800 0.100 0.000 1.094 6 F CA -0.644 57.398 58.000 0.070 0.000 1.275 6 F CB 0.269 39.287 39.000 0.030 0.000 1.073 6 F HN 0.501 nan 8.300 nan 0.000 0.586 7 N N -3.043 115.812 118.700 0.258 0.000 3.179 7 N HA 0.200 4.940 4.740 0.000 0.000 0.250 7 N C 0.077 175.745 175.510 0.264 0.000 1.507 7 N CA -0.610 52.569 53.050 0.215 0.000 0.883 7 N CB 0.888 39.472 38.487 0.161 0.000 1.435 7 N HN -0.276 nan 8.380 nan 0.000 0.532 8 V N -0.356 119.682 119.914 0.206 0.000 2.332 8 V HA -0.212 3.908 4.120 0.000 0.000 0.248 8 V C 2.305 178.529 176.094 0.216 0.000 1.055 8 V CA 2.521 64.970 62.300 0.248 0.000 1.038 8 V CB -0.952 30.995 31.823 0.207 0.000 0.651 8 V HN 0.892 nan 8.190 nan 0.000 0.450 9 E N 0.692 120.964 120.200 0.121 0.000 2.118 9 E HA -0.253 4.097 4.350 0.000 0.000 0.195 9 E C 1.732 178.321 176.600 -0.018 0.000 0.992 9 E CA 1.776 58.190 56.400 0.023 0.000 0.804 9 E CB -0.385 29.336 29.700 0.034 0.000 0.741 9 E HN 0.601 nan 8.360 nan 0.000 0.458 10 D N -0.898 119.517 120.400 0.025 0.000 2.144 10 D HA -0.156 4.484 4.640 0.000 0.000 0.199 10 D C 1.551 177.742 176.300 -0.183 0.000 0.984 10 D CA 1.007 54.960 54.000 -0.079 0.000 0.834 10 D CB -0.326 40.411 40.800 -0.105 0.000 0.955 10 D HN 0.360 nan 8.370 nan 0.000 0.465 11 Y N 0.705 120.978 120.300 -0.045 0.000 2.314 11 Y HA -0.022 4.528 4.550 -0.000 0.000 0.293 11 Y C 2.526 178.367 175.900 -0.099 0.000 1.129 11 Y CA 0.744 58.830 58.100 -0.023 0.000 1.201 11 Y CB -0.050 38.447 38.460 0.061 0.000 0.999 11 Y HN -0.143 nan 8.280 nan 0.000 0.541 12 R N 0.984 121.353 120.500 -0.218 0.000 2.073 12 R HA -0.189 4.151 4.340 0.000 0.000 0.234 12 R C 1.959 178.110 176.300 -0.248 0.000 1.134 12 R CA 1.794 57.506 56.100 -0.647 0.000 0.952 12 R CB -0.125 29.595 30.300 -0.967 0.000 0.850 12 R HN 0.256 nan 8.270 nan 0.000 0.433 13 K N 0.301 120.589 120.400 -0.187 0.000 2.032 13 K HA -0.187 4.133 4.320 0.000 0.000 0.209 13 K C 2.071 178.591 176.600 -0.135 0.000 1.048 13 K CA 1.455 57.652 56.287 -0.150 0.000 0.927 13 K CB -0.290 32.139 32.500 -0.118 0.000 0.712 13 K HN 0.125 nan 8.250 nan 0.000 0.441 14 L N 0.894 122.044 121.223 -0.122 0.000 2.093 14 L HA -0.045 4.295 4.340 0.000 0.000 0.208 14 L C 2.124 178.985 176.870 -0.014 0.000 1.085 14 L CA 1.594 56.381 54.840 -0.089 0.000 0.755 14 L CB -0.644 41.331 42.059 -0.141 0.000 0.904 14 L HN 0.117 nan 8.230 nan 0.000 0.435 15 A N -1.099 121.742 122.820 0.035 0.000 1.930 15 A HA -0.259 4.061 4.320 0.000 0.000 0.217 15 A C 2.311 179.943 177.584 0.081 0.000 1.175 15 A CA 1.615 53.740 52.037 0.147 0.000 0.627 15 A CB -0.623 18.547 19.000 0.284 0.000 0.815 15 A HN 0.632 nan 8.150 nan 0.000 0.443 16 Q N -0.253 119.470 119.800 -0.128 0.000 2.167 16 Q HA -0.161 4.179 4.340 0.000 0.000 0.202 16 Q C 1.841 177.684 176.000 -0.262 0.000 0.970 16 Q CA 1.664 57.154 55.803 -0.521 0.000 0.855 16 Q CB -0.082 28.155 28.738 -0.835 0.000 0.911 16 Q HN 0.674 nan 8.270 nan 0.000 0.438 17 K N -0.378 119.941 120.400 -0.135 0.000 2.155 17 K HA -0.052 4.268 4.320 0.000 0.000 0.203 17 K C 2.022 178.617 176.600 -0.007 0.000 1.052 17 K CA 0.968 57.213 56.287 -0.070 0.000 0.948 17 K CB 0.153 32.621 32.500 -0.053 0.000 0.728 17 K HN 0.163 nan 8.250 nan 0.000 0.448 18 R N -0.121 120.403 120.500 0.040 0.000 2.223 18 R HA 0.094 4.434 4.340 0.000 0.000 0.198 18 R C 0.103 176.476 176.300 0.121 0.000 0.984 18 R CA 0.040 56.196 56.100 0.093 0.000 1.018 18 R CB 0.113 30.503 30.300 0.150 0.000 0.945 18 R HN -0.016 nan 8.270 nan 0.000 0.479 19 L N 2.555 123.865 121.223 0.145 0.000 2.375 19 L HA 0.298 4.638 4.340 0.000 0.000 0.271 19 L C -2.025 174.943 176.870 0.163 0.000 1.107 19 L CA -2.557 52.399 54.840 0.194 0.000 0.806 19 L CB 0.608 42.843 42.059 0.293 0.000 1.146 19 L HN -0.097 nan 8.230 nan 0.000 0.447 20 P HA 0.050 nan 4.420 nan 0.000 0.272 20 P C 0.286 177.698 177.300 0.186 0.000 1.223 20 P CA -0.390 62.799 63.100 0.148 0.000 0.784 20 P CB 0.663 32.452 31.700 0.148 0.000 0.923 21 K N 2.486 122.979 120.400 0.154 0.000 2.089 21 K HA -0.211 4.109 4.320 0.000 0.000 0.210 21 K C 1.882 178.617 176.600 0.225 0.000 1.048 21 K CA 1.761 58.160 56.287 0.186 0.000 0.926 21 K CB -0.312 32.267 32.500 0.132 0.000 0.714 21 K HN 0.380 nan 8.250 nan 0.000 0.448 22 M N 0.562 120.285 119.600 0.205 0.000 2.159 22 M HA -0.146 4.334 4.480 0.000 0.000 0.263 22 M C 1.637 178.082 176.300 0.243 0.000 1.063 22 M CA 1.437 56.879 55.300 0.236 0.000 1.110 22 M CB 0.183 32.949 32.600 0.277 0.000 1.374 22 M HN 0.069 nan 8.290 nan 0.000 0.411 23 V N -0.522 119.561 119.914 0.282 0.000 2.407 23 V HA -0.232 3.888 4.120 0.000 0.000 0.245 23 V C 2.096 178.352 176.094 0.270 0.000 1.041 23 V CA 1.534 64.016 62.300 0.303 0.000 1.040 23 V CB -1.083 30.927 31.823 0.312 0.000 0.671 23 V HN 0.566 nan 8.190 nan 0.000 0.455 24 Y N 1.613 122.003 120.300 0.150 0.000 2.181 24 Y HA -0.238 4.312 4.550 -0.000 0.000 0.288 24 Y C 2.300 178.232 175.900 0.054 0.000 1.146 24 Y CA 1.982 60.150 58.100 0.113 0.000 1.164 24 Y CB -0.311 38.205 38.460 0.094 0.000 0.982 24 Y HN 0.291 nan 8.280 nan 0.000 0.515 25 D N -0.924 119.473 120.400 -0.006 0.000 2.144 25 D HA -0.227 4.413 4.640 0.000 0.000 0.199 25 D C 1.948 178.103 176.300 -0.241 0.000 0.984 25 D CA 1.652 55.574 54.000 -0.129 0.000 0.834 25 D CB -0.768 40.033 40.800 0.001 0.000 0.955 25 D HN 0.588 nan 8.370 nan 0.000 0.465 26 Y N 1.155 121.230 120.300 -0.375 0.000 2.274 26 Y HA -0.158 4.392 4.550 0.000 0.000 0.290 26 Y C 1.928 177.622 175.900 -0.342 0.000 1.145 26 Y CA 0.974 58.745 58.100 -0.548 0.000 1.203 26 Y CB -0.264 37.544 38.460 -1.087 0.000 0.984 26 Y HN -0.017 nan 8.280 nan 0.000 0.533 27 L N 0.478 121.323 121.223 -0.630 0.000 2.102 27 L HA 0.061 4.401 4.340 0.000 0.000 0.202 27 L C 2.161 178.769 176.870 -0.435 0.000 1.076 27 L CA 2.190 56.675 54.840 -0.592 0.000 0.761 27 L CB -0.925 40.990 42.059 -0.239 0.000 0.921 27 L HN 0.196 nan 8.230 nan 0.000 0.444 28 E N 0.320 120.236 120.200 -0.473 0.000 2.216 28 E HA 0.118 4.468 4.350 0.000 0.000 0.192 28 E C 1.141 177.597 176.600 -0.240 0.000 0.988 28 E CA 0.514 56.703 56.400 -0.351 0.000 0.834 28 E CB -0.614 28.718 29.700 -0.614 0.000 0.772 28 E HN 0.493 nan 8.360 nan 0.000 0.479 29 G N -0.526 108.110 108.800 -0.274 0.000 2.562 29 G HA2 0.374 4.334 3.960 0.000 0.000 0.233 29 G HA3 0.374 4.334 3.960 0.000 0.000 0.233 29 G C 0.300 175.111 174.900 -0.149 0.000 1.266 29 G CA 0.069 45.053 45.100 -0.193 0.000 0.852 29 G HN 0.306 nan 8.290 nan 0.000 0.581 30 G N -1.073 107.663 108.800 -0.107 0.000 3.015 30 G HA2 0.790 4.750 3.960 0.000 0.000 0.281 30 G HA3 0.790 4.750 3.960 0.000 0.000 0.281 30 G C -0.384 174.473 174.900 -0.073 0.000 1.386 30 G CA -0.085 44.973 45.100 -0.070 0.000 0.959 30 G HN 1.175 nan 8.290 nan 0.000 0.522 31 A N -0.662 122.133 122.820 -0.042 0.000 2.388 31 A HA 0.589 4.909 4.320 0.000 0.000 0.257 31 A C 0.957 178.515 177.584 -0.044 0.000 1.095 31 A CA 0.763 52.783 52.037 -0.028 0.000 0.791 31 A CB -0.271 18.730 19.000 0.002 0.000 1.029 31 A HN 0.943 nan 8.150 nan 0.000 0.489 32 E N 0.583 120.774 120.200 -0.014 0.000 3.486 32 E HA -0.309 4.041 4.350 0.000 0.000 0.453 32 E C 0.186 176.694 176.600 -0.152 0.000 1.625 32 E CA 1.979 58.358 56.400 -0.036 0.000 1.338 32 E CB -0.810 28.877 29.700 -0.021 0.000 1.366 32 E HN 0.822 nan 8.360 nan 0.000 0.423 33 D N 1.522 121.741 120.400 -0.302 0.000 2.363 33 D HA -0.033 4.607 4.640 0.000 0.000 0.220 33 D C -0.022 176.054 176.300 -0.374 0.000 0.994 33 D CA 1.002 54.696 54.000 -0.510 0.000 0.890 33 D CB -0.056 40.015 40.800 -1.215 0.000 0.906 33 D HN 0.374 nan 8.370 nan 0.000 0.530 34 E N -0.974 119.106 120.200 -0.200 0.000 2.791 34 E HA -0.237 4.113 4.350 0.000 0.000 0.271 34 E C 0.139 176.796 176.600 0.094 0.000 1.044 34 E CA 0.033 56.408 56.400 -0.043 0.000 0.814 34 E CB -1.374 28.311 29.700 -0.025 0.000 1.400 34 E HN 0.399 nan 8.360 nan 0.000 0.423 35 Y N -0.987 119.326 120.300 0.021 0.000 2.457 35 Y HA 0.030 4.580 4.550 0.000 0.000 0.292 35 Y C 2.423 178.353 175.900 0.050 0.000 1.125 35 Y CA 1.159 59.273 58.100 0.025 0.000 1.254 35 Y CB -0.582 37.879 38.460 0.000 0.000 1.012 35 Y HN 0.252 nan 8.280 nan 0.000 0.555 36 G N 0.331 109.244 108.800 0.189 0.000 2.434 36 G HA2 -0.195 3.765 3.960 0.000 0.000 0.214 36 G HA3 -0.195 3.765 3.960 0.000 0.000 0.214 36 G C 1.809 176.796 174.900 0.145 0.000 1.202 36 G CA 1.815 47.008 45.100 0.155 0.000 0.788 36 G HN 0.318 nan 8.290 nan 0.000 0.539 37 V N 0.109 120.085 119.914 0.102 0.000 2.392 37 V HA -0.129 3.991 4.120 0.000 0.000 0.249 37 V C 2.538 178.690 176.094 0.096 0.000 1.059 37 V CA 2.554 64.904 62.300 0.083 0.000 1.051 37 V CB -0.766 31.091 31.823 0.058 0.000 0.658 37 V HN 0.317 nan 8.190 nan 0.000 0.455 38 K N 0.944 121.417 120.400 0.122 0.000 2.026 38 K HA -0.251 4.069 4.320 0.000 0.000 0.208 38 K C 2.256 178.926 176.600 0.116 0.000 1.048 38 K CA 2.239 58.597 56.287 0.117 0.000 0.929 38 K CB -0.878 31.704 32.500 0.137 0.000 0.713 38 K HN 0.727 nan 8.250 nan 0.000 0.439 39 H N 0.317 119.408 119.070 0.034 0.000 2.387 39 H HA 0.032 4.588 4.556 0.000 0.000 0.299 39 H C 1.465 176.773 175.328 -0.033 0.000 1.090 39 H CA 2.326 58.371 56.048 -0.005 0.000 1.332 39 H CB -0.324 29.438 29.762 -0.000 0.000 1.386 39 H HN 0.443 nan 8.280 nan 0.000 0.516 40 N N -0.524 118.139 118.700 -0.061 0.000 2.149 40 N HA -0.160 4.580 4.740 0.000 0.000 0.188 40 N C 1.726 177.165 175.510 -0.118 0.000 1.019 40 N CA 0.757 53.721 53.050 -0.144 0.000 0.857 40 N CB 0.153 38.636 38.487 -0.008 0.000 0.997 40 N HN 0.262 nan 8.380 nan 0.000 0.426 41 R N 0.959 121.464 120.500 0.007 0.000 2.062 41 R HA -0.005 4.335 4.340 0.000 0.000 0.226 41 R C 1.373 177.723 176.300 0.084 0.000 1.125 41 R CA 0.923 57.093 56.100 0.117 0.000 0.966 41 R CB -0.820 29.537 30.300 0.095 0.000 0.861 41 R HN 0.261 nan 8.270 nan 0.000 0.433 42 D N 0.942 121.335 120.400 -0.011 0.000 2.149 42 D HA -0.130 4.510 4.640 0.000 0.000 0.198 42 D C 1.961 178.193 176.300 -0.113 0.000 0.990 42 D CA 1.443 55.426 54.000 -0.030 0.000 0.839 42 D CB -0.276 40.522 40.800 -0.003 0.000 0.948 42 D HN 0.161 nan 8.370 nan 0.000 0.460 43 V N -1.070 118.652 119.914 -0.320 0.000 2.453 43 V HA -0.264 3.856 4.120 0.000 0.000 0.252 43 V C 2.077 178.045 176.094 -0.210 0.000 1.068 43 V CA 1.365 63.432 62.300 -0.388 0.000 1.070 43 V CB -1.236 30.218 31.823 -0.614 0.000 0.664 43 V HN -0.053 nan 8.190 nan 0.000 0.461 44 F N 0.729 120.679 119.950 -0.000 0.000 2.333 44 F HA -0.006 4.521 4.527 -0.000 0.000 0.300 44 F C 2.521 178.378 175.800 0.095 0.000 1.083 44 F CA 1.344 59.406 58.000 0.104 0.000 1.395 44 F CB -0.576 38.401 39.000 -0.037 0.000 1.056 44 F HN 0.207 nan 8.300 nan 0.000 0.529 45 Q N 0.119 119.996 119.800 0.130 0.000 2.515 45 Q HA -0.094 4.246 4.340 0.000 0.000 0.212 45 Q C 1.607 177.570 176.000 -0.062 0.000 0.970 45 Q CA 0.596 56.422 55.803 0.038 0.000 0.941 45 Q CB -0.486 28.255 28.738 0.005 0.000 0.998 45 Q HN 0.556 nan 8.270 nan 0.000 0.518 46 Q N -1.107 118.587 119.800 -0.177 0.000 2.482 46 Q HA -0.034 4.306 4.340 0.000 0.000 0.209 46 Q C -0.242 175.378 176.000 -0.633 0.000 0.961 46 Q CA 0.364 55.858 55.803 -0.514 0.000 0.945 46 Q CB 0.426 28.624 28.738 -0.899 0.000 1.012 46 Q HN 0.258 nan 8.270 nan 0.000 0.515 47 W N 0.203 121.459 121.300 -0.073 0.000 2.915 47 W HA 0.507 5.167 4.660 0.000 0.000 0.337 47 W C -0.017 176.389 176.519 -0.188 0.000 1.102 47 W CA -0.753 56.533 57.345 -0.098 0.000 1.224 47 W CB 1.364 30.774 29.460 -0.083 0.000 1.416 47 W HN -0.127 nan 8.180 nan 0.000 0.503 48 R N 0.728 121.250 120.500 0.036 0.000 2.888 48 R HA 0.599 4.939 4.340 0.000 0.000 0.264 48 R C -1.211 175.040 176.300 -0.082 0.000 1.045 48 R CA -1.044 54.986 56.100 -0.116 0.000 0.962 48 R CB 2.067 32.357 30.300 -0.016 0.000 1.210 48 R HN 0.121 nan 8.270 nan 0.000 0.479 49 F N 1.044 121.074 119.950 0.133 0.000 2.385 49 F HA 0.364 4.891 4.527 -0.000 0.000 0.336 49 F C 0.635 176.499 175.800 0.107 0.000 1.100 49 F CA -0.473 57.605 58.000 0.130 0.000 1.116 49 F CB 0.999 40.066 39.000 0.112 0.000 1.166 49 F HN -0.013 nan 8.300 nan 0.000 0.511 50 K N 4.403 125.009 120.400 0.344 0.000 2.562 50 K HA 0.290 4.610 4.320 0.000 0.000 0.206 50 K C -2.730 173.971 176.600 0.170 0.000 1.033 50 K CA -1.602 54.798 56.287 0.189 0.000 1.029 50 K CB 1.140 33.712 32.500 0.119 0.000 1.393 50 K HN 0.280 nan 8.250 nan 0.000 0.539 51 P HA 0.060 nan 4.420 nan 0.000 0.272 51 P C -0.742 176.604 177.300 0.078 0.000 1.230 51 P CA -0.217 62.963 63.100 0.132 0.000 0.788 51 P CB 0.896 32.644 31.700 0.080 0.000 0.949 52 K N 2.466 122.920 120.400 0.090 0.000 2.281 52 K HA 0.328 4.648 4.320 0.000 0.000 0.272 52 K C 0.444 177.071 176.600 0.045 0.000 1.048 52 K CA -0.677 55.632 56.287 0.037 0.000 0.898 52 K CB 1.128 33.644 32.500 0.026 0.000 1.128 52 K HN 0.278 nan 8.250 nan 0.000 0.460 53 R N 1.665 122.181 120.500 0.026 0.000 2.577 53 R HA 0.294 4.634 4.340 0.000 0.000 0.269 53 R C 0.737 177.047 176.300 0.017 0.000 1.084 53 R CA -0.688 55.426 56.100 0.022 0.000 1.163 53 R CB 0.052 30.363 30.300 0.018 0.000 1.100 53 R HN 0.677 nan 8.270 nan 0.000 0.547 54 L N -0.667 120.564 121.223 0.014 0.000 3.717 54 L HA -0.219 4.121 4.340 0.000 0.000 0.411 54 L C -0.666 176.212 176.870 0.013 0.000 1.233 54 L CA 0.102 54.948 54.840 0.011 0.000 0.917 54 L CB -1.484 40.580 42.059 0.008 0.000 1.902 54 L HN 0.205 nan 8.230 nan 0.000 0.894 55 V N -0.644 119.280 119.914 0.017 0.000 2.483 55 V HA 0.294 4.414 4.120 0.000 0.000 0.295 55 V C 0.444 176.546 176.094 0.013 0.000 1.035 55 V CA -0.459 61.854 62.300 0.021 0.000 0.896 55 V CB 1.926 33.771 31.823 0.037 0.000 0.986 55 V HN 0.160 nan 8.190 nan 0.000 0.447 56 D N 3.855 124.261 120.400 0.010 0.000 2.342 56 D HA 0.107 4.747 4.640 0.000 0.000 0.260 56 D C 0.477 176.776 176.300 -0.000 0.000 1.278 56 D CA 0.026 54.028 54.000 0.004 0.000 0.910 56 D CB 1.208 42.010 40.800 0.003 0.000 1.079 56 D HN 0.423 nan 8.370 nan 0.000 0.496 57 V N 1.778 121.689 119.914 -0.005 0.000 2.940 57 V HA 0.173 4.293 4.120 0.000 0.000 0.366 57 V C 1.378 177.463 176.094 -0.015 0.000 1.353 57 V CA 0.272 62.564 62.300 -0.013 0.000 1.232 57 V CB -0.396 31.415 31.823 -0.019 0.000 1.278 57 V HN 0.440 nan 8.190 nan 0.000 0.546 58 S N 0.495 116.188 115.700 -0.011 0.000 2.453 58 S HA 0.136 4.606 4.470 0.000 0.000 0.231 58 S C 0.947 175.539 174.600 -0.013 0.000 1.005 58 S CA 0.237 58.431 58.200 -0.011 0.000 0.949 58 S CB -0.260 62.936 63.200 -0.008 0.000 0.774 58 S HN 0.748 nan 8.310 nan 0.000 0.510 59 R N 1.193 121.685 120.500 -0.014 0.000 2.422 59 R HA 0.506 4.846 4.340 0.000 0.000 0.307 59 R C -0.942 175.345 176.300 -0.021 0.000 1.004 59 R CA -0.367 55.724 56.100 -0.016 0.000 0.882 59 R CB 1.517 31.809 30.300 -0.012 0.000 1.164 59 R HN 0.243 nan 8.270 nan 0.000 0.489 60 R N 0.710 121.194 120.500 -0.026 0.000 2.732 60 R HA 0.507 4.847 4.340 0.000 0.000 0.278 60 R C -0.513 175.766 176.300 -0.035 0.000 0.976 60 R CA -0.806 55.273 56.100 -0.035 0.000 0.963 60 R CB 2.255 32.529 30.300 -0.043 0.000 1.150 60 R HN 0.351 nan 8.270 nan 0.000 0.478 61 S N 1.910 117.585 115.700 -0.040 0.000 2.614 61 S HA 0.335 4.805 4.470 0.000 0.000 0.288 61 S C 0.169 174.740 174.600 -0.047 0.000 1.137 61 S CA -0.752 57.425 58.200 -0.038 0.000 0.992 61 S CB 0.855 64.036 63.200 -0.031 0.000 1.026 61 S HN 0.618 nan 8.310 nan 0.000 0.486 62 L N 3.204 124.399 121.223 -0.047 0.000 2.640 62 L HA 0.336 4.676 4.340 0.000 0.000 0.230 62 L C 1.244 178.086 176.870 -0.048 0.000 1.123 62 L CA -0.058 54.750 54.840 -0.053 0.000 0.900 62 L CB -0.225 41.801 42.059 -0.056 0.000 1.146 62 L HN 0.670 nan 8.230 nan 0.000 0.484 63 Q N 1.536 121.313 119.800 -0.039 0.000 2.361 63 Q HA 0.418 4.758 4.340 0.000 0.000 0.276 63 Q C -0.501 175.481 176.000 -0.029 0.000 1.022 63 Q CA 0.332 56.115 55.803 -0.032 0.000 0.898 63 Q CB 0.889 29.612 28.738 -0.025 0.000 1.246 63 Q HN 0.332 nan 8.270 nan 0.000 0.410 64 A N 3.554 126.360 122.820 -0.024 0.000 2.599 64 A HA 0.359 4.679 4.320 0.000 0.000 0.294 64 A C -1.592 175.988 177.584 -0.006 0.000 1.055 64 A CA -0.833 51.193 52.037 -0.019 0.000 0.683 64 A CB 1.347 20.330 19.000 -0.028 0.000 1.278 64 A HN 0.776 nan 8.150 nan 0.000 0.412 65 E N 0.296 120.498 120.200 0.003 0.000 2.249 65 E HA 0.528 4.878 4.350 0.000 0.000 0.280 65 E C -1.085 175.533 176.600 0.031 0.000 1.016 65 E CA -0.646 55.766 56.400 0.019 0.000 0.830 65 E CB 2.065 31.776 29.700 0.018 0.000 1.081 65 E HN 0.337 nan 8.360 nan 0.000 0.395 66 V N 4.873 124.823 119.914 0.060 0.000 2.483 66 V HA 0.130 4.250 4.120 0.000 0.000 0.297 66 V C 0.368 176.535 176.094 0.122 0.000 1.027 66 V CA -0.600 61.757 62.300 0.095 0.000 0.855 66 V CB 1.007 32.905 31.823 0.124 0.000 0.995 66 V HN 0.764 nan 8.190 nan 0.000 0.424 67 L N 4.803 126.081 121.223 0.091 0.000 3.717 67 L HA -0.275 4.065 4.340 0.000 0.000 0.414 67 L C 1.398 178.293 176.870 0.043 0.000 1.228 67 L CA 0.700 55.576 54.840 0.059 0.000 0.918 67 L CB -1.794 40.291 42.059 0.043 0.000 1.865 67 L HN 1.184 nan 8.230 nan 0.000 0.922 68 G N -0.550 108.275 108.800 0.040 0.000 2.179 68 G HA2 -0.342 3.618 3.960 0.000 0.000 0.260 68 G HA3 -0.342 3.618 3.960 0.000 0.000 0.260 68 G C 0.243 175.161 174.900 0.030 0.000 0.977 68 G CA 0.739 45.856 45.100 0.028 0.000 0.641 68 G HN 0.474 nan 8.290 nan 0.000 0.533 69 K N 0.764 121.193 120.400 0.049 0.000 2.265 69 K HA 0.478 4.798 4.320 0.000 0.000 0.267 69 K C 0.710 177.337 176.600 0.046 0.000 0.994 69 K CA -0.949 55.368 56.287 0.049 0.000 0.860 69 K CB 0.695 33.239 32.500 0.073 0.000 1.099 69 K HN 0.275 nan 8.250 nan 0.000 0.448 70 R N 3.474 123.989 120.500 0.026 0.000 2.623 70 R HA -0.023 4.317 4.340 0.000 0.000 0.271 70 R C -0.604 175.704 176.300 0.013 0.000 1.043 70 R CA 0.617 56.726 56.100 0.014 0.000 1.083 70 R CB 0.550 30.853 30.300 0.005 0.000 0.974 70 R HN 0.802 nan 8.270 nan 0.000 0.436 71 Q N 1.607 121.407 119.800 -0.001 0.000 2.553 71 Q HA 0.283 4.623 4.340 0.000 0.000 0.293 71 Q C -0.237 175.746 176.000 -0.028 0.000 1.038 71 Q CA -0.998 54.796 55.803 -0.015 0.000 0.777 71 Q CB 1.579 30.303 28.738 -0.023 0.000 1.487 71 Q HN 0.465 nan 8.270 nan 0.000 0.426 72 S N 0.065 115.743 115.700 -0.037 0.000 2.399 72 S HA -0.038 4.432 4.470 0.000 0.000 0.231 72 S C 0.631 175.202 174.600 -0.049 0.000 1.022 72 S CA 1.918 60.093 58.200 -0.041 0.000 0.983 72 S CB -0.424 62.749 63.200 -0.045 0.000 0.803 72 S HN 0.600 nan 8.310 nan 0.000 0.480 73 M N -1.752 117.813 119.600 -0.059 0.000 2.605 73 M HA 0.371 4.851 4.480 0.000 0.000 0.281 73 M C -3.232 173.020 176.300 -0.081 0.000 1.166 73 M CA -1.747 53.512 55.300 -0.068 0.000 0.875 73 M CB 1.848 34.405 32.600 -0.072 0.000 1.732 73 M HN -0.351 nan 8.290 nan 0.000 0.504 74 P HA 0.268 nan 4.420 nan 0.000 0.232 74 P C -1.317 175.901 177.300 -0.137 0.000 1.738 74 P CA 0.179 63.221 63.100 -0.096 0.000 0.948 74 P CB -0.204 31.447 31.700 -0.081 0.000 1.943 75 L N 1.480 122.613 121.223 -0.150 0.000 2.350 75 L HA 0.593 4.933 4.340 0.000 0.000 0.260 75 L C -0.351 176.387 176.870 -0.219 0.000 1.015 75 L CA -0.965 53.764 54.840 -0.185 0.000 0.821 75 L CB 1.968 43.934 42.059 -0.155 0.000 1.370 75 L HN -0.040 nan 8.230 nan 0.000 0.416 76 L N 1.890 122.960 121.223 -0.256 0.000 2.465 76 L HA 0.525 4.865 4.340 0.000 0.000 0.257 76 L C -0.897 175.814 176.870 -0.264 0.000 0.988 76 L CA -0.123 54.525 54.840 -0.321 0.000 0.827 76 L CB 2.167 43.938 42.059 -0.480 0.000 1.397 76 L HN 0.310 nan 8.230 nan 0.000 0.410 77 I N 1.703 122.131 120.570 -0.236 0.000 2.301 77 I HA 0.366 4.536 4.170 0.000 0.000 0.292 77 I C 0.885 176.821 176.117 -0.301 0.000 1.046 77 I CA -0.107 61.092 61.300 -0.168 0.000 1.282 77 I CB 1.069 39.084 38.000 0.025 0.000 1.409 77 I HN 0.731 nan 8.210 nan 0.000 0.484 78 G N 7.982 116.617 108.800 -0.274 0.000 2.651 78 G HA2 0.307 4.267 3.960 0.000 0.000 0.260 78 G HA3 0.307 4.267 3.960 0.000 0.000 0.260 78 G C -2.538 172.159 174.900 -0.339 0.000 1.216 78 G CA -0.939 43.975 45.100 -0.309 0.000 0.913 78 G HN 0.374 nan 8.290 nan 0.000 0.535 79 P HA 0.208 nan 4.420 nan 0.000 0.276 79 P C -0.378 176.801 177.300 -0.201 0.000 1.253 79 P CA 0.123 63.037 63.100 -0.310 0.000 0.766 79 P CB 0.749 32.245 31.700 -0.340 0.000 0.845 80 T N 0.296 114.788 114.554 -0.102 0.000 2.921 80 T HA 0.652 5.002 4.350 0.000 0.000 0.297 80 T C 0.218 174.971 174.700 0.089 0.000 1.013 80 T CA -0.835 61.260 62.100 -0.009 0.000 0.990 80 T CB 1.614 70.478 68.868 -0.006 0.000 1.023 80 T HN 0.331 nan 8.240 nan 0.000 0.447 81 G N 1.767 110.659 108.800 0.153 0.000 2.504 81 G HA2 0.537 4.497 3.960 0.000 0.000 0.288 81 G HA3 0.537 4.497 3.960 0.000 0.000 0.288 81 G C 0.011 175.059 174.900 0.246 0.000 1.182 81 G CA -1.108 44.118 45.100 0.210 0.000 0.894 81 G HN 1.150 nan 8.290 nan 0.000 0.521 82 L N -0.732 120.624 121.223 0.222 0.000 3.717 82 L HA -0.217 4.123 4.340 0.000 0.000 0.414 82 L C 1.483 178.492 176.870 0.230 0.000 1.228 82 L CA 0.593 55.554 54.840 0.203 0.000 0.918 82 L CB -2.369 39.797 42.059 0.178 0.000 1.865 82 L HN 0.775 nan 8.230 nan 0.000 0.922 83 N N -0.452 118.385 118.700 0.227 0.000 2.364 83 N HA -0.089 4.651 4.740 0.000 0.000 0.183 83 N C 1.849 177.506 175.510 0.245 0.000 1.022 83 N CA 0.884 54.074 53.050 0.234 0.000 0.883 83 N CB -0.078 38.544 38.487 0.225 0.000 0.965 83 N HN 0.669 nan 8.380 nan 0.000 0.438 84 G N 0.465 109.401 108.800 0.225 0.000 2.509 84 G HA2 -0.136 3.824 3.960 0.000 0.000 0.218 84 G HA3 -0.136 3.824 3.960 0.000 0.000 0.218 84 G C 1.420 176.483 174.900 0.272 0.000 1.124 84 G CA 0.642 45.884 45.100 0.236 0.000 0.776 84 G HN 0.354 nan 8.290 nan 0.000 0.547 85 A N 0.005 122.970 122.820 0.241 0.000 2.119 85 A HA 0.342 4.662 4.320 0.000 0.000 0.216 85 A C 2.209 179.966 177.584 0.288 0.000 1.152 85 A CA 0.526 52.705 52.037 0.237 0.000 0.708 85 A CB -0.099 18.977 19.000 0.127 0.000 0.805 85 A HN 0.368 nan 8.150 nan 0.000 0.460 86 L N -2.917 118.491 121.223 0.309 0.000 2.298 86 L HA 0.207 4.547 4.340 0.000 0.000 0.209 86 L C 0.762 177.894 176.870 0.437 0.000 1.084 86 L CA 0.082 55.130 54.840 0.346 0.000 0.816 86 L CB 0.213 42.464 42.059 0.320 0.000 0.967 86 L HN 0.623 nan 8.230 nan 0.000 0.460 87 W N 0.688 122.079 121.300 0.151 0.000 3.645 87 W HA 0.241 4.901 4.660 -0.000 0.000 0.285 87 W C -2.985 173.594 176.519 0.100 0.000 1.266 87 W CA -1.499 55.914 57.345 0.113 0.000 1.212 87 W CB 1.442 30.958 29.460 0.092 0.000 1.306 87 W HN -0.332 nan 8.180 nan 0.000 0.552 88 P HA -0.014 nan 4.420 nan 0.000 0.262 88 P C -0.379 177.029 177.300 0.180 0.000 1.182 88 P CA 1.368 64.453 63.100 -0.025 0.000 0.761 88 P CB 0.299 31.880 31.700 -0.199 0.000 0.795 89 K N 1.836 122.326 120.400 0.149 0.000 3.077 89 K HA -0.210 4.110 4.320 0.000 0.000 0.264 89 K C 1.416 178.122 176.600 0.176 0.000 1.008 89 K CA 0.451 56.825 56.287 0.144 0.000 0.740 89 K CB -1.938 30.627 32.500 0.109 0.000 1.273 89 K HN 0.755 nan 8.250 nan 0.000 0.477 90 G N 1.447 110.382 108.800 0.225 0.000 2.505 90 G HA2 -0.324 3.636 3.960 0.000 0.000 0.220 90 G HA3 -0.324 3.636 3.960 0.000 0.000 0.220 90 G C 1.098 176.066 174.900 0.113 0.000 1.145 90 G CA 1.375 46.605 45.100 0.217 0.000 0.761 90 G HN 0.423 nan 8.290 nan 0.000 0.571 91 D N 0.189 120.657 120.400 0.114 0.000 2.123 91 D HA -0.089 4.551 4.640 0.000 0.000 0.196 91 D C 2.474 178.655 176.300 -0.199 0.000 0.992 91 D CA 0.509 54.540 54.000 0.051 0.000 0.833 91 D CB -0.199 40.692 40.800 0.151 0.000 0.954 91 D HN 0.271 nan 8.370 nan 0.000 0.455 92 L N 0.631 121.795 121.223 -0.098 0.000 2.056 92 L HA -0.147 4.193 4.340 0.000 0.000 0.207 92 L C 2.474 179.243 176.870 -0.169 0.000 1.078 92 L CA 1.078 55.834 54.840 -0.141 0.000 0.749 92 L CB -0.272 41.763 42.059 -0.040 0.000 0.901 92 L HN -0.047 nan 8.230 nan 0.000 0.433 93 A N 0.126 122.895 122.820 -0.086 0.000 1.883 93 A HA -0.242 4.078 4.320 0.000 0.000 0.217 93 A C 2.151 179.637 177.584 -0.164 0.000 1.186 93 A CA 1.705 53.685 52.037 -0.095 0.000 0.624 93 A CB -0.796 18.170 19.000 -0.057 0.000 0.822 93 A HN 0.433 nan 8.150 nan 0.000 0.444 94 L N -0.888 120.223 121.223 -0.187 0.000 2.017 94 L HA -0.202 4.138 4.340 0.000 0.000 0.208 94 L C 3.130 179.790 176.870 -0.350 0.000 1.073 94 L CA 1.194 55.926 54.840 -0.179 0.000 0.745 94 L CB -0.589 41.481 42.059 0.019 0.000 0.894 94 L HN 0.437 nan 8.230 nan 0.000 0.432 95 A N -0.146 122.177 122.820 -0.828 0.000 1.940 95 A HA -0.212 4.108 4.320 0.000 0.000 0.219 95 A C 2.398 179.802 177.584 -0.301 0.000 1.176 95 A CA 1.577 53.144 52.037 -0.784 0.000 0.631 95 A CB -0.485 17.956 19.000 -0.931 0.000 0.814 95 A HN 0.325 nan 8.150 nan 0.000 0.446 96 R N -0.852 119.505 120.500 -0.239 0.000 2.090 96 R HA 0.003 4.343 4.340 0.000 0.000 0.228 96 R C 2.488 178.720 176.300 -0.113 0.000 1.110 96 R CA 1.023 57.039 56.100 -0.141 0.000 0.973 96 R CB -0.361 29.873 30.300 -0.111 0.000 0.869 96 R HN 0.517 nan 8.270 nan 0.000 0.440 97 A N 1.159 123.906 122.820 -0.122 0.000 1.898 97 A HA -0.086 4.234 4.320 0.000 0.000 0.216 97 A C 2.336 179.869 177.584 -0.085 0.000 1.181 97 A CA 1.602 53.578 52.037 -0.102 0.000 0.620 97 A CB -0.555 18.377 19.000 -0.114 0.000 0.819 97 A HN 0.379 nan 8.150 nan 0.000 0.442 98 A N -0.882 121.894 122.820 -0.073 0.000 1.902 98 A HA -0.089 4.231 4.320 0.000 0.000 0.217 98 A C 2.310 179.860 177.584 -0.055 0.000 1.181 98 A CA 2.323 54.331 52.037 -0.049 0.000 0.623 98 A CB -1.288 17.723 19.000 0.017 0.000 0.818 98 A HN 0.430 nan 8.150 nan 0.000 0.443 99 T N -0.048 114.470 114.554 -0.059 0.000 2.708 99 T HA -0.135 4.215 4.350 0.000 0.000 0.266 99 T C 1.928 176.598 174.700 -0.050 0.000 1.037 99 T CA 1.723 63.792 62.100 -0.051 0.000 1.146 99 T CB -0.204 68.630 68.868 -0.057 0.000 0.865 99 T HN 0.521 nan 8.240 nan 0.000 0.435 100 K N 0.947 121.313 120.400 -0.056 0.000 2.147 100 K HA 0.050 4.370 4.320 0.000 0.000 0.205 100 K C 2.362 178.932 176.600 -0.050 0.000 1.049 100 K CA 1.097 57.353 56.287 -0.051 0.000 0.936 100 K CB -0.152 32.315 32.500 -0.055 0.000 0.722 100 K HN 0.284 nan 8.250 nan 0.000 0.446 101 A N 0.080 122.866 122.820 -0.057 0.000 2.169 101 A HA 0.156 4.476 4.320 0.000 0.000 0.212 101 A C 1.319 178.869 177.584 -0.055 0.000 1.153 101 A CA 0.874 52.876 52.037 -0.059 0.000 0.756 101 A CB -0.162 18.796 19.000 -0.070 0.000 0.813 101 A HN 0.394 nan 8.150 nan 0.000 0.471 102 G N -0.409 108.360 108.800 -0.051 0.000 2.149 102 G HA2 -0.199 3.761 3.960 0.000 0.000 0.235 102 G HA3 -0.199 3.761 3.960 0.000 0.000 0.235 102 G C 0.090 174.956 174.900 -0.056 0.000 1.018 102 G CA 0.365 45.437 45.100 -0.046 0.000 0.728 102 G HN 1.416 nan 8.290 nan 0.000 0.508 103 I N -3.222 117.304 120.570 -0.073 0.000 2.892 103 I HA 0.831 5.001 4.170 0.000 0.000 0.306 103 I C -2.579 173.457 176.117 -0.135 0.000 1.078 103 I CA -3.374 57.860 61.300 -0.110 0.000 1.032 103 I CB 2.120 40.039 38.000 -0.134 0.000 1.229 103 I HN -0.136 nan 8.210 nan 0.000 0.435 104 P HA 0.227 nan 4.420 nan 0.000 0.272 104 P C -1.336 175.786 177.300 -0.295 0.000 1.230 104 P CA 0.151 63.038 63.100 -0.354 0.000 0.788 104 P CB 0.361 31.535 31.700 -0.876 0.000 0.949 105 F N 1.530 121.289 119.950 -0.319 0.000 2.540 105 F HA 0.510 5.037 4.527 0.000 0.000 0.317 105 F C -1.396 174.330 175.800 -0.123 0.000 1.104 105 F CA -0.978 56.902 58.000 -0.199 0.000 0.913 105 F CB 1.420 40.364 39.000 -0.093 0.000 1.170 105 F HN -0.036 nan 8.300 nan 0.000 0.450 106 V N 7.302 126.558 119.914 -1.097 0.000 2.347 106 V HA 0.283 4.403 4.120 0.000 0.000 0.280 106 V C -0.161 175.376 176.094 -0.929 0.000 1.021 106 V CA -0.856 61.042 62.300 -0.671 0.000 0.847 106 V CB 1.256 32.837 31.823 -0.404 0.000 0.990 106 V HN 0.738 nan 8.190 nan 0.000 0.444 107 L N 4.028 125.096 121.223 -0.258 0.000 2.331 107 L HA 0.412 4.752 4.340 0.000 0.000 0.278 107 L C 0.708 177.565 176.870 -0.021 0.000 1.106 107 L CA 0.514 55.419 54.840 0.107 0.000 0.824 107 L CB 1.734 44.117 42.059 0.541 0.000 1.142 107 L HN 0.809 nan 8.230 nan 0.000 0.443 108 S N 2.480 118.178 115.700 -0.003 0.000 2.610 108 S HA 0.128 4.598 4.470 0.000 0.000 0.273 108 S C 1.195 175.811 174.600 0.027 0.000 1.274 108 S CA -0.362 57.779 58.200 -0.099 0.000 1.023 108 S CB 1.468 64.662 63.200 -0.011 0.000 0.962 108 S HN 0.755 nan 8.310 nan 0.000 0.523 109 T N 3.475 117.972 114.554 -0.096 0.000 2.881 109 T HA -0.000 4.350 4.350 0.000 0.000 0.270 109 T C 1.211 176.091 174.700 0.299 0.000 1.068 109 T CA 1.417 63.600 62.100 0.139 0.000 1.131 109 T CB -0.300 68.651 68.868 0.139 0.000 0.871 109 T HN 0.729 nan 8.240 nan 0.000 0.479 110 A N 1.836 124.836 122.820 0.300 0.000 2.640 110 A HA 0.471 4.791 4.320 0.000 0.000 0.282 110 A C 1.083 178.815 177.584 0.246 0.000 1.357 110 A CA -0.532 51.698 52.037 0.321 0.000 0.946 110 A CB -0.326 18.867 19.000 0.322 0.000 1.065 110 A HN 0.452 nan 8.150 nan 0.000 0.541 111 S N -0.387 115.450 115.700 0.229 0.000 2.600 111 S HA 0.171 4.641 4.470 0.000 0.000 0.265 111 S C 0.632 175.350 174.600 0.195 0.000 1.325 111 S CA -0.407 57.922 58.200 0.217 0.000 1.002 111 S CB 0.577 63.920 63.200 0.238 0.000 0.921 111 S HN 0.391 nan 8.310 nan 0.000 0.554 112 N N -0.209 118.600 118.700 0.183 0.000 2.325 112 N HA 0.162 4.902 4.740 0.000 0.000 0.182 112 N C -0.118 175.477 175.510 0.142 0.000 1.088 112 N CA 0.277 53.421 53.050 0.158 0.000 0.879 112 N CB 0.020 38.603 38.487 0.160 0.000 0.983 112 N HN 0.676 nan 8.380 nan 0.000 0.471 113 M N 1.141 120.831 119.600 0.149 0.000 2.364 113 M HA 0.219 4.699 4.480 0.000 0.000 0.334 113 M C 0.027 176.403 176.300 0.128 0.000 1.107 113 M CA -0.536 54.840 55.300 0.126 0.000 0.988 113 M CB 1.530 34.202 32.600 0.120 0.000 1.673 113 M HN -0.028 nan 8.290 nan 0.000 0.441 114 S N 3.773 119.530 115.700 0.095 0.000 2.584 114 S HA 0.201 4.671 4.470 0.000 0.000 0.270 114 S C 1.099 175.741 174.600 0.071 0.000 1.346 114 S CA -0.552 57.686 58.200 0.063 0.000 1.018 114 S CB 0.498 63.721 63.200 0.038 0.000 0.899 114 S HN 0.795 nan 8.310 nan 0.000 0.542 115 I N 1.121 121.679 120.570 -0.021 0.000 2.118 115 I HA -0.236 3.934 4.170 0.000 0.000 0.241 115 I C 2.822 179.014 176.117 0.126 0.000 1.070 115 I CA 2.314 63.564 61.300 -0.082 0.000 1.327 115 I CB -0.475 37.256 38.000 -0.448 0.000 1.034 115 I HN 0.961 nan 8.210 nan 0.000 0.405 116 E N 0.807 121.047 120.200 0.067 0.000 2.152 116 E HA -0.230 4.120 4.350 0.000 0.000 0.192 116 E C 1.590 178.251 176.600 0.102 0.000 0.983 116 E CA 1.248 57.713 56.400 0.108 0.000 0.818 116 E CB 0.040 29.778 29.700 0.063 0.000 0.758 116 E HN 0.386 nan 8.360 nan 0.000 0.467 117 D N 0.908 121.360 120.400 0.086 0.000 2.117 117 D HA -0.136 4.504 4.640 0.000 0.000 0.198 117 D C 2.000 178.348 176.300 0.079 0.000 0.982 117 D CA 0.620 54.664 54.000 0.072 0.000 0.828 117 D CB -0.184 40.655 40.800 0.064 0.000 0.967 117 D HN 0.239 nan 8.370 nan 0.000 0.464 118 L N 0.581 121.875 121.223 0.117 0.000 2.017 118 L HA -0.172 4.168 4.340 0.000 0.000 0.208 118 L C 2.213 179.123 176.870 0.067 0.000 1.073 118 L CA 1.420 56.323 54.840 0.104 0.000 0.745 118 L CB -0.278 41.896 42.059 0.193 0.000 0.894 118 L HN -0.032 nan 8.230 nan 0.000 0.432 119 A N -0.120 122.761 122.820 0.102 0.000 1.940 119 A HA -0.286 4.034 4.320 0.000 0.000 0.219 119 A C 2.351 179.944 177.584 0.014 0.000 1.176 119 A CA 1.903 53.948 52.037 0.013 0.000 0.631 119 A CB -0.617 18.429 19.000 0.076 0.000 0.814 119 A HN 0.495 nan 8.150 nan 0.000 0.446 120 R N -0.606 119.917 120.500 0.039 0.000 2.115 120 R HA -0.078 4.262 4.340 0.000 0.000 0.230 120 R C 1.677 177.984 176.300 0.011 0.000 1.111 120 R CA 1.606 57.721 56.100 0.026 0.000 0.976 120 R CB -0.130 30.190 30.300 0.034 0.000 0.870 120 R HN 0.665 nan 8.270 nan 0.000 0.445 121 Q N -1.453 118.352 119.800 0.008 0.000 2.282 121 Q HA 0.129 4.469 4.340 0.000 0.000 0.206 121 Q C -0.500 175.486 176.000 -0.024 0.000 0.878 121 Q CA -0.235 55.565 55.803 -0.005 0.000 0.944 121 Q CB 1.327 30.065 28.738 0.000 0.000 1.100 121 Q HN 0.186 nan 8.270 nan 0.000 0.509 122 C N 0.522 119.802 119.300 -0.033 0.000 2.551 122 C HA 0.311 4.771 4.460 0.000 0.000 0.332 122 C C -0.587 174.372 174.990 -0.052 0.000 1.139 122 C CA -0.620 58.367 59.018 -0.053 0.000 1.328 122 C CB 1.230 28.921 27.740 -0.082 0.000 1.903 122 C HN 0.279 nan 8.230 nan 0.000 0.459 123 D N 3.291 123.665 120.400 -0.045 0.000 2.388 123 D HA 0.196 4.836 4.640 0.000 0.000 0.221 123 D C 1.063 177.341 176.300 -0.036 0.000 1.133 123 D CA 0.340 54.317 54.000 -0.039 0.000 0.831 123 D CB 0.703 41.486 40.800 -0.028 0.000 0.962 123 D HN 0.813 nan 8.370 nan 0.000 0.502 124 G N -0.030 108.747 108.800 -0.038 0.000 2.535 124 G HA2 0.053 4.013 3.960 0.000 0.000 0.282 124 G HA3 0.053 4.013 3.960 0.000 0.000 0.282 124 G C -0.191 174.707 174.900 -0.003 0.000 1.350 124 G CA -0.357 44.730 45.100 -0.022 0.000 1.039 124 G HN -0.066 nan 8.290 nan 0.000 0.509 125 D N -0.292 120.125 120.400 0.027 0.000 2.338 125 D HA 0.255 4.895 4.640 0.000 0.000 0.255 125 D C -0.507 175.877 176.300 0.139 0.000 1.237 125 D CA -0.267 53.792 54.000 0.098 0.000 0.883 125 D CB 0.524 41.407 40.800 0.138 0.000 1.087 125 D HN -0.123 nan 8.370 nan 0.000 0.485 126 L N 4.769 126.070 121.223 0.130 0.000 2.282 126 L HA 0.431 4.771 4.340 0.000 0.000 0.288 126 L C -0.385 176.791 176.870 0.511 0.000 1.033 126 L CA -0.664 54.266 54.840 0.150 0.000 0.807 126 L CB 0.879 42.710 42.059 -0.379 0.000 1.209 126 L HN 0.332 nan 8.230 nan 0.000 0.423 127 W N 3.223 124.660 121.300 0.228 0.000 2.639 127 W HA 0.534 5.194 4.660 -0.000 0.000 0.347 127 W C -0.541 176.189 176.519 0.350 0.000 1.067 127 W CA -0.953 56.533 57.345 0.235 0.000 1.218 127 W CB 1.218 30.690 29.460 0.019 0.000 1.393 127 W HN 0.192 nan 8.180 nan 0.000 0.557 128 F N 3.169 123.233 119.950 0.190 0.000 2.493 128 F HA 0.336 4.864 4.527 0.000 0.000 0.329 128 F C -0.196 175.480 175.800 -0.207 0.000 1.126 128 F CA -1.089 56.846 58.000 -0.108 0.000 0.937 128 F CB 1.389 40.147 39.000 -0.403 0.000 1.146 128 F HN 0.172 nan 8.300 nan 0.000 0.442 129 Q N 6.867 126.071 119.800 -0.993 0.000 2.303 129 Q HA 0.367 4.707 4.340 0.000 0.000 0.257 129 Q C -1.997 173.188 176.000 -1.359 0.000 0.941 129 Q CA -0.759 54.489 55.803 -0.925 0.000 0.931 129 Q CB 1.699 30.056 28.738 -0.635 0.000 1.215 129 Q HN 0.864 nan 8.270 nan 0.000 0.437 130 L N 5.299 125.958 121.223 -0.940 0.000 2.307 130 L HA 0.454 4.794 4.340 0.000 0.000 0.284 130 L C -1.814 174.823 176.870 -0.388 0.000 1.023 130 L CA -0.395 54.054 54.840 -0.653 0.000 0.810 130 L CB 1.020 42.851 42.059 -0.380 0.000 1.231 130 L HN 0.481 nan 8.230 nan 0.000 0.423 131 Y N 3.865 124.055 120.300 -0.183 0.000 2.352 131 Y HA 0.555 5.105 4.550 -0.000 0.000 0.339 131 Y C -0.312 175.559 175.900 -0.048 0.000 0.992 131 Y CA -0.970 57.069 58.100 -0.102 0.000 1.100 131 Y CB 2.105 40.566 38.460 0.002 0.000 1.192 131 Y HN 0.280 nan 8.280 nan 0.000 0.458 132 V N 6.192 126.138 119.914 0.055 0.000 2.350 132 V HA 0.254 4.374 4.120 0.000 0.000 0.276 132 V C 0.602 176.760 176.094 0.105 0.000 1.028 132 V CA -0.006 62.325 62.300 0.051 0.000 0.860 132 V CB 0.689 32.447 31.823 -0.108 0.000 0.990 132 V HN 0.824 nan 8.190 nan 0.000 0.453 133 I N 2.614 123.293 120.570 0.182 0.000 3.194 133 I HA 0.219 4.389 4.170 0.000 0.000 0.271 133 I C 0.555 176.789 176.117 0.195 0.000 1.150 133 I CA 0.284 61.675 61.300 0.151 0.000 1.440 133 I CB 0.359 38.451 38.000 0.154 0.000 1.276 133 I HN 0.648 nan 8.210 nan 0.000 0.457 134 H N 0.086 119.242 119.070 0.143 0.000 2.744 134 H HA 0.414 4.970 4.556 -0.000 0.000 0.339 134 H C 0.630 176.035 175.328 0.127 0.000 1.004 134 H CA -0.723 55.391 56.048 0.111 0.000 1.257 134 H CB 1.320 31.151 29.762 0.115 0.000 1.552 134 H HN -0.183 nan 8.280 nan 0.000 0.522 135 R N 2.231 122.489 120.500 -0.405 0.000 2.136 135 R HA -0.192 4.148 4.340 0.000 0.000 0.242 135 R C 1.880 178.124 176.300 -0.094 0.000 1.131 135 R CA 2.306 58.227 56.100 -0.298 0.000 0.937 135 R CB -0.195 29.777 30.300 -0.547 0.000 0.863 135 R HN 0.838 nan 8.270 nan 0.000 0.435 136 E N -0.238 119.802 120.200 -0.267 0.000 2.085 136 E HA -0.200 4.150 4.350 0.000 0.000 0.194 136 E C 1.942 178.708 176.600 0.276 0.000 0.994 136 E CA 1.514 57.990 56.400 0.126 0.000 0.801 136 E CB -0.098 29.762 29.700 0.267 0.000 0.743 136 E HN 0.354 nan 8.360 nan 0.000 0.453 137 I N 0.560 121.386 120.570 0.427 0.000 2.286 137 I HA -0.252 3.918 4.170 0.000 0.000 0.248 137 I C 2.541 178.786 176.117 0.212 0.000 1.115 137 I CA 0.862 62.350 61.300 0.313 0.000 1.392 137 I CB -0.347 37.886 38.000 0.389 0.000 1.065 137 I HN 0.139 nan 8.210 nan 0.000 0.418 138 A N 0.197 123.166 122.820 0.248 0.000 1.902 138 A HA -0.294 4.026 4.320 0.000 0.000 0.217 138 A C 2.316 180.039 177.584 0.232 0.000 1.181 138 A CA 1.850 54.033 52.037 0.243 0.000 0.623 138 A CB -0.740 18.452 19.000 0.319 0.000 0.818 138 A HN 0.491 nan 8.150 nan 0.000 0.443 139 Q N -0.665 119.325 119.800 0.316 0.000 2.135 139 Q HA -0.130 4.210 4.340 0.000 0.000 0.204 139 Q C 2.021 178.090 176.000 0.115 0.000 0.981 139 Q CA 1.628 57.571 55.803 0.234 0.000 0.856 139 Q CB -0.498 28.444 28.738 0.340 0.000 0.902 139 Q HN 0.613 nan 8.270 nan 0.000 0.425 140 G N 0.617 109.485 108.800 0.113 0.000 2.421 140 G HA2 -0.251 3.709 3.960 0.000 0.000 0.216 140 G HA3 -0.251 3.709 3.960 0.000 0.000 0.216 140 G C 1.373 176.261 174.900 -0.020 0.000 1.171 140 G CA 0.917 46.050 45.100 0.054 0.000 0.775 140 G HN 0.291 nan 8.290 nan 0.000 0.543 141 M N 0.071 119.642 119.600 -0.047 0.000 2.117 141 M HA -0.057 4.423 4.480 0.000 0.000 0.262 141 M C 2.690 178.855 176.300 -0.225 0.000 1.065 141 M CA 0.908 56.100 55.300 -0.180 0.000 1.114 141 M CB -0.422 32.106 32.600 -0.121 0.000 1.361 141 M HN 0.101 nan 8.290 nan 0.000 0.408 142 V N 0.657 120.537 119.914 -0.056 0.000 2.343 142 V HA -0.248 3.872 4.120 0.000 0.000 0.247 142 V C 2.417 178.503 176.094 -0.015 0.000 1.051 142 V CA 1.330 63.619 62.300 -0.018 0.000 1.036 142 V CB -0.621 31.215 31.823 0.023 0.000 0.654 142 V HN 0.419 nan 8.190 nan 0.000 0.451 143 L N -0.523 120.656 121.223 -0.074 0.000 2.093 143 L HA -0.084 4.256 4.340 0.000 0.000 0.208 143 L C 2.508 179.221 176.870 -0.261 0.000 1.085 143 L CA 1.716 56.427 54.840 -0.216 0.000 0.755 143 L CB -1.249 40.745 42.059 -0.109 0.000 0.904 143 L HN 0.338 nan 8.230 nan 0.000 0.435 144 K N 0.149 120.475 120.400 -0.124 0.000 2.009 144 K HA -0.136 4.184 4.320 0.000 0.000 0.210 144 K C 2.082 178.620 176.600 -0.104 0.000 1.049 144 K CA 1.557 57.794 56.287 -0.082 0.000 0.929 144 K CB -0.156 32.250 32.500 -0.157 0.000 0.714 144 K HN 0.244 nan 8.250 nan 0.000 0.440 145 A N 1.470 124.133 122.820 -0.262 0.000 1.908 145 A HA -0.193 4.127 4.320 0.000 0.000 0.218 145 A C 2.180 179.893 177.584 0.215 0.000 1.181 145 A CA 1.546 53.440 52.037 -0.239 0.000 0.627 145 A CB -0.630 18.037 19.000 -0.554 0.000 0.818 145 A HN 0.305 nan 8.150 nan 0.000 0.445 146 L N -0.718 120.618 121.223 0.190 0.000 1.994 146 L HA -0.184 4.156 4.340 0.000 0.000 0.208 146 L C 2.261 179.158 176.870 0.045 0.000 1.071 146 L CA 2.377 57.267 54.840 0.083 0.000 0.745 146 L CB -0.873 41.037 42.059 -0.248 0.000 0.892 146 L HN 0.524 nan 8.230 nan 0.000 0.431 147 H N -0.875 118.248 119.070 0.089 0.000 2.491 147 H HA 0.015 4.571 4.556 0.000 0.000 0.290 147 H C 1.648 177.030 175.328 0.090 0.000 1.050 147 H CA 1.449 57.534 56.048 0.061 0.000 1.309 147 H CB -0.768 29.013 29.762 0.032 0.000 1.392 147 H HN 0.555 nan 8.280 nan 0.000 0.554 148 T N -3.544 111.159 114.554 0.249 0.000 3.145 148 T HA 0.360 4.710 4.350 0.000 0.000 0.255 148 T C 1.504 176.331 174.700 0.211 0.000 1.039 148 T CA 0.303 62.540 62.100 0.227 0.000 0.928 148 T CB 0.074 69.097 68.868 0.259 0.000 1.029 148 T HN 0.444 nan 8.240 nan 0.000 0.554 149 G N 0.722 109.652 108.800 0.217 0.000 2.132 149 G HA2 -0.249 3.711 3.960 0.000 0.000 0.234 149 G HA3 -0.249 3.711 3.960 0.000 0.000 0.234 149 G C -0.223 174.762 174.900 0.142 0.000 0.989 149 G CA -0.422 44.762 45.100 0.140 0.000 0.676 149 G HN 0.594 nan 8.290 nan 0.000 0.522 150 Y N 1.365 121.790 120.300 0.209 0.000 2.465 150 Y HA 0.316 4.866 4.550 -0.000 0.000 0.331 150 Y C 2.308 178.405 175.900 0.328 0.000 1.102 150 Y CA 0.886 59.148 58.100 0.271 0.000 1.358 150 Y CB 1.079 39.710 38.460 0.284 0.000 1.213 150 Y HN 0.277 nan 8.280 nan 0.000 0.525 151 T N -1.756 112.968 114.554 0.284 0.000 2.857 151 T HA -0.031 4.319 4.350 0.000 0.000 0.266 151 T C 0.701 175.500 174.700 0.166 0.000 1.048 151 T CA 1.089 63.260 62.100 0.119 0.000 1.139 151 T CB -0.192 68.697 68.868 0.034 0.000 0.874 151 T HN 0.638 nan 8.240 nan 0.000 0.455 152 T N -0.433 114.089 114.554 -0.053 0.000 2.909 152 T HA 0.609 4.959 4.350 0.000 0.000 0.299 152 T C -1.152 173.305 174.700 -0.406 0.000 1.073 152 T CA -1.077 60.850 62.100 -0.288 0.000 0.999 152 T CB 1.756 69.921 68.868 -1.171 0.000 1.098 152 T HN 0.274 nan 8.240 nan 0.000 0.477 153 L N 3.510 124.318 121.223 -0.693 0.000 2.295 153 L HA 0.748 5.088 4.340 0.000 0.000 0.285 153 L C -1.079 175.472 176.870 -0.531 0.000 1.035 153 L CA -0.963 53.325 54.840 -0.920 0.000 0.806 153 L CB 1.606 42.637 42.059 -1.713 0.000 1.214 153 L HN 0.633 nan 8.230 nan 0.000 0.426 154 V N 6.153 125.816 119.914 -0.420 0.000 2.407 154 V HA 0.305 4.425 4.120 0.000 0.000 0.291 154 V C -0.058 175.827 176.094 -0.347 0.000 1.018 154 V CA -0.521 61.599 62.300 -0.299 0.000 0.842 154 V CB 1.972 33.682 31.823 -0.188 0.000 0.996 154 V HN 0.560 nan 8.190 nan 0.000 0.426 155 L N 5.865 126.928 121.223 -0.267 0.000 2.255 155 L HA 0.512 4.852 4.340 0.000 0.000 0.289 155 L C 0.512 177.257 176.870 -0.208 0.000 1.046 155 L CA -0.023 54.659 54.840 -0.263 0.000 0.816 155 L CB 1.660 43.599 42.059 -0.200 0.000 1.197 155 L HN 0.863 nan 8.230 nan 0.000 0.427 156 T N 0.020 114.434 114.554 -0.234 0.000 2.767 156 T HA 0.280 4.630 4.350 0.000 0.000 0.288 156 T C 0.837 175.530 174.700 -0.011 0.000 0.963 156 T CA -0.189 61.844 62.100 -0.112 0.000 1.019 156 T CB 1.230 70.014 68.868 -0.140 0.000 0.923 156 T HN 0.705 nan 8.240 nan 0.000 0.468 157 T N -1.026 113.531 114.554 0.006 0.000 3.085 157 T HA 0.164 4.514 4.350 0.000 0.000 0.264 157 T C 0.443 175.161 174.700 0.031 0.000 1.019 157 T CA -0.127 61.971 62.100 -0.004 0.000 0.910 157 T CB -0.168 68.671 68.868 -0.048 0.000 1.059 157 T HN 0.697 nan 8.240 nan 0.000 0.542 158 D N 1.019 121.472 120.400 0.089 0.000 2.587 158 D HA 0.197 4.837 4.640 0.000 0.000 0.233 158 D C 0.361 176.651 176.300 -0.017 0.000 1.213 158 D CA -0.527 53.509 54.000 0.060 0.000 0.827 158 D CB 0.014 40.882 40.800 0.113 0.000 1.006 158 D HN 0.345 nan 8.370 nan 0.000 0.490 159 V N 0.201 120.099 119.914 -0.026 0.000 2.771 159 V HA 0.401 4.521 4.120 0.000 0.000 0.355 159 V C 1.710 177.735 176.094 -0.115 0.000 1.289 159 V CA -0.071 62.150 62.300 -0.131 0.000 1.231 159 V CB 0.309 31.989 31.823 -0.237 0.000 1.396 159 V HN 0.266 nan 8.190 nan 0.000 0.628 160 A N 0.172 122.954 122.820 -0.064 0.000 1.986 160 A HA 0.044 4.364 4.320 0.000 0.000 0.220 160 A C 0.986 178.535 177.584 -0.060 0.000 1.171 160 A CA 1.834 53.843 52.037 -0.047 0.000 0.640 160 A CB 0.134 19.119 19.000 -0.026 0.000 0.811 160 A HN 0.468 nan 8.150 nan 0.000 0.451 161 V N -1.160 118.713 119.914 -0.069 0.000 3.114 161 V HA 0.179 4.299 4.120 0.000 0.000 0.308 161 V C -0.816 175.230 176.094 -0.080 0.000 1.168 161 V CA -1.143 61.119 62.300 -0.063 0.000 1.015 161 V CB 2.051 33.851 31.823 -0.038 0.000 1.050 161 V HN 0.496 nan 8.190 nan 0.000 0.433 162 N N 1.040 119.701 118.700 -0.065 0.000 2.530 162 N HA 0.431 5.171 4.740 0.000 0.000 0.273 162 N C 0.257 175.751 175.510 -0.026 0.000 1.173 162 N CA -0.021 52.990 53.050 -0.065 0.000 0.967 162 N CB 0.912 39.373 38.487 -0.043 0.000 1.109 162 N HN 0.929 nan 8.380 nan 0.000 0.453 163 G N 0.652 109.424 108.800 -0.047 0.000 2.483 163 G HA2 -0.013 3.947 3.960 0.000 0.000 0.248 163 G HA3 -0.013 3.947 3.960 0.000 0.000 0.248 163 G C -0.902 174.031 174.900 0.055 0.000 1.248 163 G CA -0.181 44.915 45.100 -0.008 0.000 0.838 163 G HN 0.563 nan 8.290 nan 0.000 0.566 164 Y N 2.370 122.637 120.300 -0.055 0.000 2.636 164 Y HA 0.293 4.843 4.550 0.000 0.000 0.341 164 Y C 1.014 176.878 175.900 -0.060 0.000 1.169 164 Y CA -0.408 57.663 58.100 -0.047 0.000 1.498 164 Y CB -0.084 38.350 38.460 -0.042 0.000 1.362 164 Y HN 0.334 nan 8.280 nan 0.000 0.494 165 R N 4.088 124.475 120.500 -0.189 0.000 2.230 165 R HA 0.127 4.467 4.340 0.000 0.000 0.337 165 R C 0.838 176.952 176.300 -0.309 0.000 1.063 165 R CA -0.187 55.795 56.100 -0.196 0.000 0.935 165 R CB 0.624 30.838 30.300 -0.142 0.000 1.121 165 R HN 0.734 nan 8.270 nan 0.000 0.486 166 E N 1.893 121.893 120.200 -0.334 0.000 2.268 166 E HA -0.162 4.188 4.350 0.000 0.000 0.195 166 E C 1.280 177.582 176.600 -0.496 0.000 0.995 166 E CA 0.810 56.951 56.400 -0.432 0.000 0.836 166 E CB 0.200 29.676 29.700 -0.374 0.000 0.763 166 E HN 0.402 nan 8.360 nan 0.000 0.491 167 R N 0.916 121.215 120.500 -0.334 0.000 2.075 167 R HA -0.121 4.219 4.340 0.000 0.000 0.232 167 R C 1.629 177.857 176.300 -0.120 0.000 1.126 167 R CA 1.335 57.292 56.100 -0.239 0.000 0.963 167 R CB -0.128 30.079 30.300 -0.155 0.000 0.858 167 R HN 0.157 nan 8.270 nan 0.000 0.435 168 D N 0.840 121.174 120.400 -0.111 0.000 2.144 168 D HA -0.114 4.526 4.640 0.000 0.000 0.200 168 D C 2.020 178.346 176.300 0.044 0.000 0.978 168 D CA 0.964 54.966 54.000 0.003 0.000 0.833 168 D CB -0.138 40.665 40.800 0.006 0.000 0.961 168 D HN 0.168 nan 8.370 nan 0.000 0.470 169 L N 0.069 121.264 121.223 -0.047 0.000 2.056 169 L HA -0.151 4.189 4.340 0.000 0.000 0.207 169 L C 2.339 179.296 176.870 0.146 0.000 1.078 169 L CA 1.160 56.002 54.840 0.002 0.000 0.749 169 L CB -0.476 41.520 42.059 -0.106 0.000 0.901 169 L HN 0.214 nan 8.230 nan 0.000 0.433 170 H N -0.598 118.456 119.070 -0.026 0.000 2.428 170 H HA -0.031 4.525 4.556 -0.000 0.000 0.296 170 H C 1.219 176.562 175.328 0.025 0.000 1.062 170 H CA 0.718 56.766 56.048 -0.001 0.000 1.350 170 H CB 0.254 30.016 29.762 0.000 0.000 1.403 170 H HN 0.362 nan 8.280 nan 0.000 0.533 171 N N 0.801 119.606 118.700 0.174 0.000 2.336 171 N HA -0.016 4.724 4.740 0.000 0.000 0.189 171 N C 0.116 175.706 175.510 0.133 0.000 1.113 171 N CA 0.124 53.263 53.050 0.148 0.000 0.858 171 N CB 0.426 39.015 38.487 0.171 0.000 0.970 171 N HN 0.086 nan 8.380 nan 0.000 0.471 172 R N -0.077 120.491 120.500 0.112 0.000 3.502 172 R HA -0.204 4.136 4.340 0.000 0.000 0.266 172 R C -0.663 175.684 176.300 0.078 0.000 1.077 172 R CA -0.029 56.114 56.100 0.071 0.000 0.718 172 R CB -2.962 27.357 30.300 0.033 0.000 1.120 172 R HN 0.216 nan 8.270 nan 0.000 0.457 173 F N 1.370 121.313 119.950 -0.012 0.000 2.549 173 F HA -0.070 4.457 4.527 0.000 0.000 0.400 173 F C 0.514 176.277 175.800 -0.062 0.000 1.011 173 F CA 0.611 58.592 58.000 -0.031 0.000 1.148 173 F CB 0.289 39.281 39.000 -0.015 0.000 0.993 173 F HN -0.015 nan 8.300 nan 0.000 0.540 174 K N 8.281 128.246 120.400 -0.725 0.000 2.339 174 K HA 0.370 4.690 4.320 0.000 0.000 0.264 174 K C -0.337 175.670 176.600 -0.987 0.000 0.986 174 K CA -0.798 55.111 56.287 -0.630 0.000 0.866 174 K CB 1.427 33.721 32.500 -0.343 0.000 1.103 174 K HN 0.532 nan 8.250 nan 0.000 0.441 175 I N 5.288 125.358 120.570 -0.834 0.000 3.085 175 I HA -0.104 4.066 4.170 0.000 0.000 0.302 175 I C -1.798 173.984 176.117 -0.559 0.000 1.234 175 I CA -1.071 59.822 61.300 -0.678 0.000 1.396 175 I CB -0.603 37.198 38.000 -0.331 0.000 1.385 175 I HN 0.298 nan 8.210 nan 0.000 0.533 176 P HA -0.128 nan 4.420 nan 0.000 0.266 176 P C -1.659 175.247 177.300 -0.656 0.000 1.162 176 P CA -0.725 61.989 63.100 -0.645 0.000 0.758 176 P CB -0.194 31.015 31.700 -0.818 0.000 0.774 177 P HA -0.259 nan 4.420 nan 0.000 0.213 177 P C 1.341 178.526 177.300 -0.191 0.000 1.176 177 P CA 1.962 64.908 63.100 -0.257 0.000 0.919 177 P CB -0.588 31.093 31.700 -0.032 0.000 0.791 178 F N 0.111 120.043 119.950 -0.029 0.000 2.091 178 F HA -0.103 4.424 4.527 -0.000 0.000 0.299 178 F C 1.299 177.098 175.800 -0.001 0.000 1.103 178 F CA -0.041 57.951 58.000 -0.013 0.000 1.228 178 F CB -2.380 36.613 39.000 -0.010 0.000 0.984 178 F HN -0.222 nan 8.300 nan 0.000 0.477 179 L N 3.257 124.392 121.223 -0.146 0.000 2.615 179 L HA 0.116 4.456 4.340 0.000 0.000 0.271 179 L C 0.456 177.314 176.870 -0.021 0.000 1.183 179 L CA 0.626 55.439 54.840 -0.045 0.000 0.933 179 L CB -1.339 40.641 42.059 -0.131 0.000 1.199 179 L HN 0.466 nan 8.230 nan 0.000 0.487 180 T N 1.403 115.987 114.554 0.050 0.000 2.887 180 T HA 0.533 4.883 4.350 0.000 0.000 0.288 180 T C -0.027 174.735 174.700 0.103 0.000 1.021 180 T CA -1.045 61.089 62.100 0.058 0.000 1.000 180 T CB 1.954 70.863 68.868 0.068 0.000 1.034 180 T HN 0.169 nan 8.240 nan 0.000 0.467 181 L N 3.895 125.194 121.223 0.127 0.000 2.415 181 L HA 0.235 4.575 4.340 0.000 0.000 0.269 181 L C 1.764 178.783 176.870 0.248 0.000 1.244 181 L CA 0.141 55.117 54.840 0.227 0.000 1.113 181 L CB -0.498 41.733 42.059 0.287 0.000 1.352 181 L HN 0.809 nan 8.230 nan 0.000 0.433 182 K N 1.685 122.191 120.400 0.176 0.000 2.089 182 K HA -0.190 4.130 4.320 0.000 0.000 0.210 182 K C 1.318 177.973 176.600 0.093 0.000 1.048 182 K CA 1.292 57.655 56.287 0.128 0.000 0.926 182 K CB 0.206 32.770 32.500 0.107 0.000 0.714 182 K HN 0.550 nan 8.250 nan 0.000 0.448 183 N N -0.091 118.644 118.700 0.058 0.000 2.519 183 N HA -0.111 4.629 4.740 0.000 0.000 0.186 183 N C 1.199 176.544 175.510 -0.275 0.000 1.062 183 N CA 0.798 53.771 53.050 -0.127 0.000 0.910 183 N CB -0.122 38.244 38.487 -0.201 0.000 0.958 183 N HN 0.168 nan 8.380 nan 0.000 0.445 184 F N 0.817 120.808 119.950 0.067 0.000 2.695 184 F HA 0.210 4.737 4.527 0.000 0.000 0.303 184 F C 1.184 177.009 175.800 0.042 0.000 1.091 184 F CA -0.569 57.466 58.000 0.058 0.000 1.300 184 F CB 0.115 39.149 39.000 0.057 0.000 1.071 184 F HN -0.110 nan 8.300 nan 0.000 0.578 185 E N 0.625 120.920 120.200 0.159 0.000 2.436 185 E HA 0.221 4.571 4.350 0.000 0.000 0.262 185 E C 0.966 177.613 176.600 0.078 0.000 1.063 185 E CA 0.470 56.935 56.400 0.108 0.000 0.944 185 E CB 0.421 30.168 29.700 0.080 0.000 0.950 185 E HN 0.361 nan 8.360 nan 0.000 0.444 186 G N 4.427 113.266 108.800 0.066 0.000 2.306 186 G HA2 -0.221 3.739 3.960 0.000 0.000 0.274 186 G HA3 -0.221 3.739 3.960 0.000 0.000 0.274 186 G C 0.008 174.939 174.900 0.052 0.000 0.890 186 G CA 0.912 46.042 45.100 0.050 0.000 1.298 186 G HN 0.587 nan 8.290 nan 0.000 0.445 187 I N -1.372 119.235 120.570 0.060 0.000 2.448 187 I HA 0.521 4.691 4.170 0.000 0.000 0.281 187 I C 0.042 176.184 176.117 0.041 0.000 1.027 187 I CA -1.057 60.278 61.300 0.058 0.000 1.111 187 I CB 1.257 39.309 38.000 0.087 0.000 1.236 187 I HN 0.205 nan 8.210 nan 0.000 0.452 188 D N 5.108 125.528 120.400 0.033 0.000 4.093 188 D HA -0.245 4.395 4.640 0.000 0.000 0.284 188 D C -0.007 176.302 176.300 0.015 0.000 2.268 188 D CA 0.326 54.340 54.000 0.023 0.000 1.057 188 D CB -0.070 40.743 40.800 0.021 0.000 1.026 188 D HN 0.701 nan 8.370 nan 0.000 1.196 189 L N -0.800 120.428 121.223 0.009 0.000 2.914 189 L HA 0.177 4.517 4.340 0.000 0.000 0.428 189 L C 0.721 177.593 176.870 0.003 0.000 1.064 189 L CA 0.758 55.600 54.840 0.003 0.000 1.247 189 L CB -0.726 41.336 42.059 0.006 0.000 1.239 189 L HN 0.679 nan 8.230 nan 0.000 0.460 190 G N 0.398 109.201 108.800 0.005 0.000 2.631 190 G HA2 0.203 4.163 3.960 0.000 0.000 0.271 190 G HA3 0.203 4.163 3.960 0.000 0.000 0.271 190 G C 0.626 175.527 174.900 0.002 0.000 1.302 190 G CA -0.057 45.047 45.100 0.006 0.000 1.002 190 G HN 0.338 nan 8.290 nan 0.000 0.519 191 K N -0.977 119.425 120.400 0.004 0.000 2.374 191 K HA 0.263 4.583 4.320 0.000 0.000 0.202 191 K C 0.603 177.205 176.600 0.003 0.000 1.040 191 K CA 0.005 56.293 56.287 0.002 0.000 1.085 191 K CB 0.436 32.938 32.500 0.002 0.000 0.873 191 K HN 0.303 nan 8.250 nan 0.000 0.539 192 M N -1.008 118.596 119.600 0.006 0.000 1.529 192 M HA 0.116 4.596 4.480 0.000 0.000 0.196 192 M C -0.745 175.563 176.300 0.013 0.000 1.007 192 M CA 0.456 55.761 55.300 0.008 0.000 0.825 192 M CB 0.155 32.760 32.600 0.008 0.000 1.711 192 M HN -0.104 nan 8.290 nan 0.000 0.646 199 M N 3.086 122.671 119.600 -0.026 0.000 3.520 199 M HA 0.016 4.496 4.480 0.000 0.000 0.188 199 M C 1.154 177.417 176.300 -0.062 0.000 1.400 199 M CA 0.420 55.697 55.300 -0.037 0.000 1.553 199 M CB -0.025 32.563 32.600 -0.020 0.000 1.333 199 M HN 0.362 nan 8.290 nan 0.000 0.452 200 Q N -0.468 119.254 119.800 -0.129 0.000 2.403 200 Q HA 0.047 4.387 4.340 0.000 0.000 0.203 200 Q C 1.468 177.354 176.000 -0.190 0.000 0.932 200 Q CA 0.908 56.559 55.803 -0.254 0.000 0.945 200 Q CB 0.006 28.294 28.738 -0.750 0.000 1.045 200 Q HN 0.590 nan 8.270 nan 0.000 0.511 201 A N 1.313 124.064 122.820 -0.115 0.000 2.070 201 A HA 0.006 4.326 4.320 0.000 0.000 0.220 201 A C 2.316 179.864 177.584 -0.061 0.000 1.159 201 A CA 1.397 53.390 52.037 -0.073 0.000 0.656 201 A CB -0.617 18.356 19.000 -0.046 0.000 0.800 201 A HN 0.565 nan 8.150 nan 0.000 0.453 202 A N -0.899 121.888 122.820 -0.055 0.000 2.070 202 A HA 0.065 4.385 4.320 0.000 0.000 0.220 202 A C 1.371 178.931 177.584 -0.040 0.000 1.159 202 A CA 1.055 53.069 52.037 -0.039 0.000 0.656 202 A CB -0.344 18.641 19.000 -0.025 0.000 0.800 202 A HN 0.372 nan 8.150 nan 0.000 0.453 203 L N -0.655 120.540 121.223 -0.047 0.000 2.777 203 L HA 0.258 4.598 4.340 0.000 0.000 0.244 203 L C 0.486 177.317 176.870 -0.066 0.000 1.235 203 L CA 0.553 55.376 54.840 -0.029 0.000 1.062 203 L CB -0.494 41.579 42.059 0.023 0.000 1.340 203 L HN 0.414 nan 8.230 nan 0.000 0.439 204 M N -0.663 118.886 119.600 -0.084 0.000 2.741 204 M HA 0.387 4.867 4.480 0.000 0.000 0.283 204 M C -0.096 176.138 176.300 -0.109 0.000 1.176 204 M CA 0.154 55.378 55.300 -0.126 0.000 1.139 204 M CB 0.480 33.018 32.600 -0.103 0.000 1.234 204 M HN 0.051 nan 8.290 nan 0.000 0.497 205 S N 1.793 117.424 115.700 -0.116 0.000 2.851 205 S HA 0.639 5.109 4.470 0.000 0.000 0.317 205 S C 0.432 174.964 174.600 -0.115 0.000 1.144 205 S CA -0.694 57.451 58.200 -0.093 0.000 0.862 205 S CB 1.329 64.489 63.200 -0.066 0.000 1.259 205 S HN 0.706 nan 8.310 nan 0.000 0.564 206 R N 0.264 120.709 120.500 -0.092 0.000 2.427 206 R HA 0.300 4.640 4.340 0.000 0.000 0.262 206 R C -0.349 175.891 176.300 -0.101 0.000 0.943 206 R CA 0.048 56.090 56.100 -0.098 0.000 1.081 206 R CB 0.353 30.611 30.300 -0.070 0.000 1.166 206 R HN 0.497 nan 8.270 nan 0.000 0.534 207 Q N 0.361 120.106 119.800 -0.092 0.000 2.342 207 Q HA 0.408 4.748 4.340 0.000 0.000 0.267 207 Q C -0.524 175.426 176.000 -0.083 0.000 1.038 207 Q CA -0.487 55.265 55.803 -0.085 0.000 0.832 207 Q CB 2.782 31.486 28.738 -0.055 0.000 1.323 207 Q HN -0.003 nan 8.270 nan 0.000 0.448 208 M N 0.683 120.226 119.600 -0.094 0.000 2.363 208 M HA 0.166 4.646 4.480 0.000 0.000 0.280 208 M C -0.178 176.113 176.300 -0.015 0.000 1.182 208 M CA -0.535 54.726 55.300 -0.065 0.000 0.974 208 M CB 0.673 33.204 32.600 -0.114 0.000 1.452 208 M HN 0.567 nan 8.290 nan 0.000 0.507 209 D N 0.666 121.081 120.400 0.025 0.000 2.367 209 D HA 0.215 4.855 4.640 0.000 0.000 0.255 209 D C 0.368 176.703 176.300 0.060 0.000 1.300 209 D CA 0.063 54.097 54.000 0.057 0.000 0.959 209 D CB 0.665 41.532 40.800 0.113 0.000 1.064 209 D HN 0.575 nan 8.370 nan 0.000 0.509 210 A N 2.946 125.782 122.820 0.026 0.000 2.239 210 A HA -0.053 4.267 4.320 0.000 0.000 0.209 210 A C 1.919 179.516 177.584 0.022 0.000 1.171 210 A CA 1.032 53.078 52.037 0.016 0.000 0.768 210 A CB -0.267 18.731 19.000 -0.004 0.000 0.790 210 A HN 0.528 nan 8.150 nan 0.000 0.478 211 S N -1.772 113.946 115.700 0.030 0.000 2.517 211 S HA 0.191 4.661 4.470 0.000 0.000 0.214 211 S C 0.335 174.930 174.600 -0.009 0.000 0.991 211 S CA -0.519 57.679 58.200 -0.002 0.000 0.906 211 S CB -0.586 62.596 63.200 -0.030 0.000 0.789 211 S HN 0.279 nan 8.310 nan 0.000 0.513 212 F N 5.093 124.999 119.950 -0.074 0.000 2.569 212 F HA 0.225 4.752 4.527 -0.000 0.000 0.395 212 F C 0.554 176.276 175.800 -0.130 0.000 1.028 212 F CA 0.215 58.167 58.000 -0.080 0.000 1.158 212 F CB 0.153 39.123 39.000 -0.050 0.000 1.023 212 F HN 0.486 nan 8.300 nan 0.000 0.547 213 N N 3.298 121.797 118.700 -0.335 0.000 3.283 213 N HA 0.231 4.971 4.740 0.000 0.000 0.338 213 N C 0.310 175.637 175.510 -0.304 0.000 1.517 213 N CA -0.823 52.047 53.050 -0.301 0.000 0.733 213 N CB -0.063 38.321 38.487 -0.171 0.000 1.797 213 N HN 0.522 nan 8.380 nan 0.000 0.637 214 W N 0.021 121.312 121.300 -0.015 0.000 2.321 214 W HA -0.052 4.608 4.660 -0.000 0.000 0.306 214 W C 2.182 178.685 176.519 -0.027 0.000 1.217 214 W CA 1.475 58.824 57.345 0.007 0.000 1.257 214 W CB -0.081 29.388 29.460 0.016 0.000 1.145 214 W HN 0.712 nan 8.180 nan 0.000 0.509 215 E N 0.610 120.892 120.200 0.137 0.000 2.085 215 E HA -0.246 4.104 4.350 0.000 0.000 0.194 215 E C 2.280 178.864 176.600 -0.027 0.000 0.994 215 E CA 1.531 57.962 56.400 0.053 0.000 0.801 215 E CB -0.308 29.393 29.700 0.002 0.000 0.743 215 E HN 0.190 nan 8.360 nan 0.000 0.453 216 A N 1.471 124.132 122.820 -0.264 0.000 1.972 216 A HA -0.144 4.176 4.320 0.000 0.000 0.219 216 A C 2.216 179.707 177.584 -0.154 0.000 1.169 216 A CA 0.887 52.593 52.037 -0.552 0.000 0.635 216 A CB -0.593 17.400 19.000 -1.678 0.000 0.810 216 A HN 0.438 nan 8.150 nan 0.000 0.446 217 L N -0.853 120.381 121.223 0.018 0.000 2.093 217 L HA -0.165 4.175 4.340 0.000 0.000 0.208 217 L C 2.737 179.757 176.870 0.251 0.000 1.085 217 L CA 1.394 56.419 54.840 0.308 0.000 0.755 217 L CB -0.354 41.886 42.059 0.302 0.000 0.904 217 L HN 0.431 nan 8.230 nan 0.000 0.435 218 R N -1.093 119.530 120.500 0.205 0.000 2.081 218 R HA -0.252 4.088 4.340 0.000 0.000 0.235 218 R C 1.985 178.390 176.300 0.176 0.000 1.131 218 R CA 2.037 58.238 56.100 0.167 0.000 0.960 218 R CB -0.668 29.717 30.300 0.142 0.000 0.856 218 R HN 0.497 nan 8.270 nan 0.000 0.436 219 W N 1.618 122.938 121.300 0.033 0.000 2.317 219 W HA -0.210 4.450 4.660 -0.000 0.000 0.318 219 W C 1.762 178.336 176.519 0.092 0.000 1.227 219 W CA 1.243 58.611 57.345 0.038 0.000 1.269 219 W CB -0.471 28.986 29.460 -0.005 0.000 1.155 219 W HN -0.004 nan 8.180 nan 0.000 0.484 220 L N 1.210 122.439 121.223 0.010 0.000 2.083 220 L HA -0.206 4.134 4.340 0.000 0.000 0.209 220 L C 2.642 179.440 176.870 -0.121 0.000 1.083 220 L CA 1.992 56.694 54.840 -0.230 0.000 0.752 220 L CB -0.813 41.350 42.059 0.173 0.000 0.899 220 L HN 0.051 nan 8.230 nan 0.000 0.433 221 R N 0.768 121.275 120.500 0.011 0.000 2.081 221 R HA -0.179 4.161 4.340 0.000 0.000 0.235 221 R C 1.688 177.983 176.300 -0.009 0.000 1.131 221 R CA 1.935 58.059 56.100 0.041 0.000 0.960 221 R CB -0.825 29.521 30.300 0.076 0.000 0.856 221 R HN 0.376 nan 8.270 nan 0.000 0.436 222 D N 0.126 120.490 120.400 -0.059 0.000 2.224 222 D HA -0.119 4.521 4.640 0.000 0.000 0.205 222 D C 1.712 177.930 176.300 -0.137 0.000 0.965 222 D CA 0.480 54.433 54.000 -0.078 0.000 0.852 222 D CB -0.085 40.683 40.800 -0.054 0.000 0.947 222 D HN 0.142 nan 8.370 nan 0.000 0.494 223 L N -0.209 120.874 121.223 -0.233 0.000 2.072 223 L HA -0.008 4.332 4.340 0.000 0.000 0.205 223 L C 0.427 177.234 176.870 -0.106 0.000 1.079 223 L CA 1.002 55.690 54.840 -0.252 0.000 0.752 223 L CB -0.397 41.351 42.059 -0.517 0.000 0.906 223 L HN 0.147 nan 8.230 nan 0.000 0.436 224 W N 3.223 124.371 121.300 -0.252 0.000 2.335 224 W HA 0.270 4.930 4.660 0.000 0.000 0.307 224 W C -1.765 174.625 176.519 -0.214 0.000 1.117 224 W CA -1.597 55.615 57.345 -0.222 0.000 1.228 224 W CB 1.220 30.576 29.460 -0.174 0.000 1.240 224 W HN 0.050 nan 8.180 nan 0.000 0.468 225 P HA -0.044 nan 4.420 nan 0.000 0.230 225 P C 0.411 177.284 177.300 -0.712 0.000 1.168 225 P CA 1.174 63.831 63.100 -0.738 0.000 0.793 225 P CB 0.691 31.934 31.700 -0.762 0.000 0.851 226 H N 0.103 118.607 119.070 -0.943 0.000 2.885 226 H HA 0.309 4.865 4.556 -0.000 0.000 0.263 226 H C 0.834 176.239 175.328 0.128 0.000 1.564 226 H CA -0.428 55.414 56.048 -0.343 0.000 1.632 226 H CB -0.079 29.514 29.762 -0.281 0.000 1.650 226 H HN -0.206 nan 8.280 nan 0.000 0.928 227 K N 1.359 121.960 120.400 0.335 0.000 2.451 227 K HA 0.117 4.437 4.320 0.000 0.000 0.280 227 K C -0.073 176.639 176.600 0.186 0.000 1.020 227 K CA 0.099 56.480 56.287 0.157 0.000 1.008 227 K CB 0.141 32.609 32.500 -0.053 0.000 0.917 227 K HN 0.358 nan 8.250 nan 0.000 0.478 228 L N 5.151 126.423 121.223 0.083 0.000 2.356 228 L HA 0.439 4.779 4.340 0.000 0.000 0.277 228 L C -1.049 175.781 176.870 -0.067 0.000 0.996 228 L CA -0.733 54.090 54.840 -0.028 0.000 0.822 228 L CB 0.957 43.055 42.059 0.065 0.000 1.256 228 L HN 0.429 nan 8.230 nan 0.000 0.413 229 L N 4.963 126.109 121.223 -0.128 0.000 2.354 229 L HA 0.605 4.945 4.340 0.000 0.000 0.269 229 L C -0.791 176.040 176.870 -0.064 0.000 1.005 229 L CA -0.991 53.806 54.840 -0.071 0.000 0.819 229 L CB 2.416 44.437 42.059 -0.063 0.000 1.311 229 L HN 0.250 nan 8.230 nan 0.000 0.423 230 V N 2.364 122.270 119.914 -0.013 0.000 2.384 230 V HA 0.350 4.470 4.120 0.000 0.000 0.287 230 V C -0.069 176.022 176.094 -0.005 0.000 1.020 230 V CA -0.645 61.650 62.300 -0.009 0.000 0.850 230 V CB 1.622 33.474 31.823 0.048 0.000 0.987 230 V HN 0.648 nan 8.190 nan 0.000 0.436 231 K N 3.054 123.432 120.400 -0.037 0.000 2.156 231 K HA 0.681 5.001 4.320 0.000 0.000 0.254 231 K C 0.789 177.391 176.600 0.004 0.000 0.950 231 K CA 0.360 56.631 56.287 -0.026 0.000 0.849 231 K CB 1.510 33.965 32.500 -0.075 0.000 1.100 231 K HN 0.912 nan 8.250 nan 0.000 0.434 232 G N 2.534 111.352 108.800 0.031 0.000 2.163 232 G HA2 -0.171 3.789 3.960 0.000 0.000 0.213 232 G HA3 -0.171 3.789 3.960 0.000 0.000 0.213 232 G C -0.204 174.736 174.900 0.067 0.000 0.991 232 G CA -0.214 44.926 45.100 0.067 0.000 0.653 232 G HN 0.434 nan 8.290 nan 0.000 0.518 233 L N 0.249 121.512 121.223 0.066 0.000 2.417 233 L HA 0.595 4.935 4.340 0.000 0.000 0.268 233 L C 1.234 178.154 176.870 0.082 0.000 1.158 233 L CA -0.270 54.619 54.840 0.081 0.000 0.819 233 L CB 1.079 43.194 42.059 0.095 0.000 1.112 233 L HN 0.081 nan 8.230 nan 0.000 0.458 234 L N 2.618 123.892 121.223 0.086 0.000 3.393 234 L HA 0.218 4.558 4.340 0.000 0.000 0.319 234 L C -0.342 176.576 176.870 0.080 0.000 1.309 234 L CA 0.004 54.893 54.840 0.081 0.000 0.962 234 L CB 0.617 42.721 42.059 0.076 0.000 1.391 234 L HN 0.738 nan 8.230 nan 0.000 0.607 235 S N -2.339 113.413 115.700 0.086 0.000 2.543 235 S HA 0.583 5.053 4.470 0.000 0.000 0.274 235 S C 0.408 175.057 174.600 0.081 0.000 1.149 235 S CA -0.095 58.153 58.200 0.081 0.000 0.866 235 S CB 1.887 65.137 63.200 0.083 0.000 1.111 235 S HN 0.047 nan 8.310 nan 0.000 0.457 236 A N 1.494 124.354 122.820 0.067 0.000 1.969 236 A HA 0.045 4.365 4.320 0.000 0.000 0.218 236 A C 1.717 179.333 177.584 0.054 0.000 1.169 236 A CA 1.779 53.851 52.037 0.058 0.000 0.635 236 A CB -0.968 18.061 19.000 0.048 0.000 0.810 236 A HN 0.885 nan 8.150 nan 0.000 0.445 237 E N 0.431 120.663 120.200 0.054 0.000 2.051 237 E HA -0.145 4.205 4.350 0.000 0.000 0.192 237 E C 1.524 178.158 176.600 0.057 0.000 0.991 237 E CA 1.409 57.833 56.400 0.039 0.000 0.799 237 E CB -0.217 29.506 29.700 0.038 0.000 0.748 237 E HN 0.516 nan 8.360 nan 0.000 0.449 238 D N -0.185 120.289 120.400 0.123 0.000 2.117 238 D HA -0.060 4.580 4.640 0.000 0.000 0.198 238 D C 1.827 178.256 176.300 0.215 0.000 0.982 238 D CA 1.368 55.508 54.000 0.234 0.000 0.828 238 D CB -0.317 40.643 40.800 0.267 0.000 0.967 238 D HN 0.185 nan 8.370 nan 0.000 0.464 239 A N 0.607 123.511 122.820 0.141 0.000 1.902 239 A HA -0.224 4.096 4.320 0.000 0.000 0.217 239 A C 1.986 179.622 177.584 0.086 0.000 1.181 239 A CA 2.066 54.173 52.037 0.116 0.000 0.623 239 A CB -0.642 18.409 19.000 0.085 0.000 0.818 239 A HN 0.164 nan 8.150 nan 0.000 0.443 240 D N -1.105 119.325 120.400 0.051 0.000 2.144 240 D HA -0.152 4.488 4.640 0.000 0.000 0.200 240 D C 2.124 178.410 176.300 -0.025 0.000 0.978 240 D CA 1.301 55.309 54.000 0.013 0.000 0.833 240 D CB -0.035 40.763 40.800 -0.003 0.000 0.961 240 D HN 0.310 nan 8.370 nan 0.000 0.470 241 R N -0.174 120.280 120.500 -0.076 0.000 2.075 241 R HA -0.031 4.309 4.340 0.000 0.000 0.232 241 R C 2.136 178.369 176.300 -0.111 0.000 1.126 241 R CA 1.432 57.375 56.100 -0.261 0.000 0.963 241 R CB -1.078 28.832 30.300 -0.649 0.000 0.858 241 R HN 0.262 nan 8.270 nan 0.000 0.435 242 C N 0.188 119.569 119.300 0.135 0.000 2.413 242 C HA -0.066 4.394 4.460 0.000 0.000 0.276 242 C C 2.500 177.571 174.990 0.136 0.000 1.236 242 C CA 0.586 59.767 59.018 0.273 0.000 1.735 242 C CB -0.893 27.008 27.740 0.269 0.000 2.031 242 C HN 0.490 nan 8.230 nan 0.000 0.474 243 I N 1.514 122.131 120.570 0.078 0.000 2.226 243 I HA -0.151 4.019 4.170 0.000 0.000 0.245 243 I C 2.757 178.892 176.117 0.030 0.000 1.100 243 I CA 1.933 63.263 61.300 0.050 0.000 1.374 243 I CB -1.757 36.264 38.000 0.034 0.000 1.057 243 I HN 0.274 nan 8.210 nan 0.000 0.413 244 A N 0.345 123.165 122.820 0.000 0.000 1.972 244 A HA -0.154 4.166 4.320 0.000 0.000 0.219 244 A C 1.938 179.521 177.584 -0.002 0.000 1.169 244 A CA 1.236 53.260 52.037 -0.022 0.000 0.635 244 A CB -0.391 18.566 19.000 -0.073 0.000 0.810 244 A HN 0.385 nan 8.150 nan 0.000 0.446 245 E N -1.276 118.942 120.200 0.029 0.000 2.502 245 E HA 0.194 4.545 4.350 0.000 0.000 0.194 245 E C 1.184 177.840 176.600 0.093 0.000 1.062 245 E CA 0.689 57.137 56.400 0.080 0.000 0.867 245 E CB 0.023 29.831 29.700 0.180 0.000 0.888 245 E HN 0.789 nan 8.360 nan 0.000 0.510 246 G N 0.809 109.652 108.800 0.072 0.000 2.201 246 G HA2 -0.235 3.725 3.960 0.000 0.000 0.212 246 G HA3 -0.235 3.725 3.960 0.000 0.000 0.212 246 G C 0.561 175.504 174.900 0.072 0.000 0.994 246 G CA -0.075 45.065 45.100 0.066 0.000 0.644 246 G HN 0.486 nan 8.290 nan 0.000 0.508 247 A N 0.503 123.375 122.820 0.086 0.000 2.483 247 A HA 0.509 4.829 4.320 0.000 0.000 0.238 247 A C 1.023 178.638 177.584 0.053 0.000 1.070 247 A CA 0.877 52.958 52.037 0.074 0.000 0.770 247 A CB 0.253 19.306 19.000 0.090 0.000 1.008 247 A HN 0.234 nan 8.150 nan 0.000 0.497 248 D N 0.723 121.146 120.400 0.038 0.000 2.340 248 D HA 0.288 4.928 4.640 0.000 0.000 0.220 248 D C 0.790 177.103 176.300 0.022 0.000 1.039 248 D CA 1.462 55.478 54.000 0.027 0.000 0.866 248 D CB 0.462 41.273 40.800 0.019 0.000 0.913 248 D HN 0.814 nan 8.370 nan 0.000 0.523 249 G N 0.040 108.856 108.800 0.027 0.000 2.322 249 G HA2 0.384 4.344 3.960 0.000 0.000 0.295 249 G HA3 0.384 4.344 3.960 0.000 0.000 0.295 249 G C -1.475 173.448 174.900 0.038 0.000 1.369 249 G CA -0.229 44.891 45.100 0.032 0.000 0.821 249 G HN 0.113 nan 8.290 nan 0.000 0.536 250 V N -2.618 117.323 119.914 0.045 0.000 3.160 250 V HA 0.887 5.007 4.120 0.000 0.000 0.310 250 V C -0.800 175.320 176.094 0.044 0.000 1.181 250 V CA -1.281 61.047 62.300 0.048 0.000 1.047 250 V CB 2.016 33.877 31.823 0.065 0.000 1.068 250 V HN 0.903 nan 8.190 nan 0.000 0.441 251 I N 2.601 123.193 120.570 0.036 0.000 2.466 251 I HA 0.384 4.554 4.170 0.000 0.000 0.279 251 I C -0.438 175.700 176.117 0.035 0.000 1.033 251 I CA -0.399 60.917 61.300 0.027 0.000 1.123 251 I CB 1.552 39.556 38.000 0.006 0.000 1.237 251 I HN 0.506 nan 8.210 nan 0.000 0.460 252 L N 5.106 126.358 121.223 0.049 0.000 2.455 252 L HA 0.305 4.645 4.340 0.000 0.000 0.272 252 L C 0.467 177.379 176.870 0.069 0.000 1.174 252 L CA 0.592 55.471 54.840 0.065 0.000 0.869 252 L CB 0.809 42.912 42.059 0.075 0.000 1.130 252 L HN 0.643 nan 8.230 nan 0.000 0.474 253 S N 1.552 117.296 115.700 0.073 0.000 2.580 253 S HA 0.299 4.769 4.470 0.000 0.000 0.281 253 S C -0.677 173.977 174.600 0.090 0.000 1.129 253 S CA -0.884 57.361 58.200 0.075 0.000 0.862 253 S CB 1.190 64.410 63.200 0.034 0.000 1.090 253 S HN 0.731 nan 8.310 nan 0.000 0.451 254 N N 1.729 120.489 118.700 0.101 0.000 2.338 254 N HA 0.229 4.969 4.740 0.000 0.000 0.251 254 N C -0.049 175.568 175.510 0.178 0.000 1.199 254 N CA 0.037 53.159 53.050 0.120 0.000 0.879 254 N CB -0.524 38.023 38.487 0.101 0.000 1.159 254 N HN 0.864 nan 8.380 nan 0.000 0.514 255 H N 0.243 119.334 119.070 0.035 0.000 2.791 255 H HA -0.115 4.441 4.556 -0.000 0.000 0.302 255 H C 1.060 176.394 175.328 0.011 0.000 1.198 255 H CA 0.809 56.870 56.048 0.022 0.000 1.145 255 H CB -1.366 28.412 29.762 0.027 0.000 1.385 255 H HN 0.692 nan 8.280 nan 0.000 0.409 256 G N -0.692 108.155 108.800 0.078 0.000 2.305 256 G HA2 -0.027 3.933 3.960 0.000 0.000 0.287 256 G HA3 -0.027 3.933 3.960 0.000 0.000 0.287 256 G C 1.468 176.407 174.900 0.064 0.000 1.036 256 G CA 1.197 46.331 45.100 0.056 0.000 0.887 256 G HN 1.793 nan 8.290 nan 0.000 0.505 257 G N -1.015 107.835 108.800 0.083 0.000 2.166 257 G HA2 -0.359 3.601 3.960 0.000 0.000 0.260 257 G HA3 -0.359 3.601 3.960 0.000 0.000 0.260 257 G C 1.082 176.008 174.900 0.043 0.000 0.986 257 G CA 1.273 46.413 45.100 0.067 0.000 0.683 257 G HN 1.163 nan 8.290 nan 0.000 0.527 258 R N -0.843 119.691 120.500 0.056 0.000 2.317 258 R HA 0.213 4.553 4.340 0.000 0.000 0.208 258 R C 1.994 178.278 176.300 -0.026 0.000 0.914 258 R CA 0.590 56.696 56.100 0.010 0.000 1.060 258 R CB 0.049 30.365 30.300 0.027 0.000 1.015 258 R HN 0.346 nan 8.270 nan 0.000 0.498 259 Q N -0.001 119.790 119.800 -0.015 0.000 2.481 259 Q HA 0.254 4.594 4.340 0.000 0.000 0.219 259 Q C 0.298 176.291 176.000 -0.011 0.000 0.920 259 Q CA 0.545 56.317 55.803 -0.051 0.000 0.915 259 Q CB 0.869 29.552 28.738 -0.091 0.000 1.057 259 Q HN 0.174 nan 8.270 nan 0.000 0.581 260 L N 2.022 123.252 121.223 0.012 0.000 2.415 260 L HA 0.209 4.549 4.340 0.000 0.000 0.268 260 L C 0.095 176.981 176.870 0.028 0.000 0.984 260 L CA -0.076 54.774 54.840 0.017 0.000 0.853 260 L CB 1.618 43.689 42.059 0.020 0.000 1.215 260 L HN 0.029 nan 8.230 nan 0.000 0.419 261 D N 1.732 122.143 120.400 0.019 0.000 2.158 261 D HA -0.161 4.479 4.640 0.000 0.000 0.197 261 D C 1.415 177.747 176.300 0.053 0.000 0.995 261 D CA 1.476 55.491 54.000 0.026 0.000 0.846 261 D CB 0.340 41.129 40.800 -0.019 0.000 0.941 261 D HN 0.612 nan 8.370 nan 0.000 0.456 262 C N 0.708 120.032 119.300 0.039 0.000 2.614 262 C HA 0.672 5.132 4.460 0.000 0.000 0.299 262 C C 0.954 175.955 174.990 0.018 0.000 1.293 262 C CA -0.756 58.281 59.018 0.030 0.000 1.713 262 C CB -1.678 26.077 27.740 0.024 0.000 1.890 262 C HN 0.338 nan 8.230 nan 0.000 0.602 263 A N 1.422 124.266 122.820 0.040 0.000 2.445 263 A HA 0.509 4.829 4.320 0.000 0.000 0.242 263 A C 0.397 178.024 177.584 0.073 0.000 1.075 263 A CA -0.198 51.870 52.037 0.052 0.000 0.777 263 A CB 0.101 19.140 19.000 0.064 0.000 1.013 263 A HN 0.658 nan 8.150 nan 0.000 0.493 264 I N 0.178 120.793 120.570 0.075 0.000 3.194 264 I HA 0.393 4.563 4.170 0.000 0.000 0.283 264 I C 0.693 176.905 176.117 0.158 0.000 1.199 264 I CA -0.218 61.154 61.300 0.121 0.000 1.328 264 I CB 0.535 38.592 38.000 0.095 0.000 1.404 264 I HN 0.525 nan 8.210 nan 0.000 0.618 265 S N 2.868 118.678 115.700 0.182 0.000 2.586 265 S HA 0.400 4.870 4.470 0.000 0.000 0.274 265 S C -1.372 173.249 174.600 0.034 0.000 1.281 265 S CA -1.424 56.798 58.200 0.037 0.000 1.035 265 S CB 0.912 63.995 63.200 -0.195 0.000 0.962 265 S HN 0.621 nan 8.310 nan 0.000 0.512 266 P HA -0.084 nan 4.420 nan 0.000 0.222 266 P C 1.447 178.781 177.300 0.057 0.000 1.147 266 P CA 0.927 64.067 63.100 0.067 0.000 0.790 266 P CB -0.028 31.731 31.700 0.099 0.000 0.780 267 M N -0.232 119.368 119.600 0.000 0.000 2.358 267 M HA -0.107 4.373 4.480 0.000 0.000 0.264 267 M C 1.679 178.049 176.300 0.117 0.000 1.064 267 M CA 1.415 56.713 55.300 -0.003 0.000 1.093 267 M CB -1.268 31.227 32.600 -0.174 0.000 1.401 267 M HN 0.122 nan 8.290 nan 0.000 0.440 268 E N -0.087 120.176 120.200 0.105 0.000 2.347 268 E HA -0.071 4.279 4.350 0.000 0.000 0.196 268 E C 1.517 178.188 176.600 0.117 0.000 1.008 268 E CA 0.982 57.462 56.400 0.134 0.000 0.852 268 E CB 0.191 29.954 29.700 0.104 0.000 0.783 268 E HN 0.492 nan 8.360 nan 0.000 0.505 269 V N -2.244 117.728 119.914 0.096 0.000 3.253 269 V HA 0.180 4.300 4.120 0.000 0.000 0.320 269 V C 1.450 177.589 176.094 0.075 0.000 1.442 269 V CA -0.210 62.139 62.300 0.083 0.000 1.097 269 V CB -0.101 31.767 31.823 0.074 0.000 1.008 269 V HN 0.145 nan 8.190 nan 0.000 0.463 270 L N 1.179 122.446 121.223 0.073 0.000 1.976 270 L HA -0.076 4.264 4.340 0.000 0.000 0.209 270 L C 2.820 179.717 176.870 0.045 0.000 1.071 270 L CA 2.501 57.372 54.840 0.051 0.000 0.746 270 L CB -0.527 41.547 42.059 0.025 0.000 0.890 270 L HN 0.468 nan 8.230 nan 0.000 0.432 271 A N -0.888 121.963 122.820 0.052 0.000 1.908 271 A HA -0.311 4.009 4.320 0.000 0.000 0.218 271 A C 2.178 179.794 177.584 0.054 0.000 1.181 271 A CA 1.989 54.057 52.037 0.052 0.000 0.627 271 A CB -0.700 18.347 19.000 0.078 0.000 0.818 271 A HN 0.641 nan 8.150 nan 0.000 0.445 272 Q N -0.359 119.478 119.800 0.061 0.000 2.084 272 Q HA -0.144 4.196 4.340 0.000 0.000 0.202 272 Q C 2.296 178.324 176.000 0.047 0.000 0.978 272 Q CA 1.823 57.658 55.803 0.053 0.000 0.844 272 Q CB -0.127 28.644 28.738 0.056 0.000 0.898 272 Q HN 0.630 nan 8.270 nan 0.000 0.426 273 S N -0.228 115.502 115.700 0.050 0.000 2.368 273 S HA -0.121 4.349 4.470 0.000 0.000 0.225 273 S C 1.969 176.593 174.600 0.040 0.000 1.030 273 S CA 1.192 59.421 58.200 0.047 0.000 0.999 273 S CB -0.193 63.039 63.200 0.054 0.000 0.844 273 S HN 0.224 nan 8.310 nan 0.000 0.459 274 V N 1.914 121.851 119.914 0.038 0.000 2.295 274 V HA -0.203 3.917 4.120 0.000 0.000 0.246 274 V C 2.632 178.744 176.094 0.031 0.000 1.049 274 V CA 1.786 64.106 62.300 0.032 0.000 1.024 274 V CB -1.132 30.708 31.823 0.029 0.000 0.648 274 V HN 0.548 nan 8.190 nan 0.000 0.447 275 A N -0.634 122.205 122.820 0.033 0.000 1.930 275 A HA -0.214 4.106 4.320 0.000 0.000 0.217 275 A C 2.352 179.952 177.584 0.026 0.000 1.175 275 A CA 2.016 54.071 52.037 0.030 0.000 0.627 275 A CB -0.377 18.643 19.000 0.033 0.000 0.815 275 A HN 0.513 nan 8.150 nan 0.000 0.443 276 K N -0.513 119.904 120.400 0.027 0.000 2.044 276 K HA -0.112 4.208 4.320 0.000 0.000 0.204 276 K C 2.237 178.849 176.600 0.020 0.000 1.049 276 K CA 1.807 58.107 56.287 0.023 0.000 0.945 276 K CB -0.251 32.264 32.500 0.024 0.000 0.724 276 K HN 0.595 nan 8.250 nan 0.000 0.440 277 T N -2.922 111.647 114.554 0.025 0.000 2.896 277 T HA 0.053 4.403 4.350 0.000 0.000 0.263 277 T C 1.541 176.254 174.700 0.021 0.000 1.050 277 T CA 1.116 63.230 62.100 0.024 0.000 1.140 277 T CB -0.390 68.498 68.868 0.032 0.000 0.877 277 T HN 0.426 nan 8.240 nan 0.000 0.457 278 G N 1.537 110.351 108.800 0.022 0.000 2.168 278 G HA2 -0.223 3.737 3.960 0.000 0.000 0.263 278 G HA3 -0.223 3.737 3.960 0.000 0.000 0.263 278 G C 0.080 174.993 174.900 0.021 0.000 0.977 278 G CA 0.581 45.693 45.100 0.020 0.000 0.659 278 G HN 0.691 nan 8.290 nan 0.000 0.533 279 K N -0.206 120.209 120.400 0.025 0.000 2.352 279 K HA 0.580 4.900 4.320 0.000 0.000 0.240 279 K C -2.711 173.906 176.600 0.029 0.000 1.017 279 K CA -2.258 54.045 56.287 0.026 0.000 0.851 279 K CB 0.954 33.471 32.500 0.029 0.000 1.261 279 K HN -0.091 nan 8.250 nan 0.000 0.451 280 P HA 0.050 nan 4.420 nan 0.000 0.264 280 P C -0.690 176.632 177.300 0.036 0.000 1.193 280 P CA -0.088 63.032 63.100 0.033 0.000 0.763 280 P CB 0.321 32.045 31.700 0.040 0.000 0.810 281 V N 5.550 125.483 119.914 0.032 0.000 2.304 281 V HA 0.211 4.331 4.120 0.000 0.000 0.278 281 V C 0.264 176.372 176.094 0.023 0.000 1.018 281 V CA -0.471 61.849 62.300 0.033 0.000 0.814 281 V CB 0.870 32.713 31.823 0.034 0.000 1.021 281 V HN 0.350 nan 8.190 nan 0.000 0.440 282 L N 5.082 126.320 121.223 0.025 0.000 2.431 282 L HA 0.672 5.012 4.340 0.000 0.000 0.260 282 L C -0.188 176.677 176.870 -0.009 0.000 1.098 282 L CA -0.139 54.700 54.840 -0.002 0.000 0.800 282 L CB 1.457 43.526 42.059 0.018 0.000 1.210 282 L HN 0.568 nan 8.230 nan 0.000 0.465 283 I N -0.290 120.246 120.570 -0.058 0.000 2.984 283 I HA 0.472 4.642 4.170 0.000 0.000 0.303 283 I C -2.076 173.989 176.117 -0.087 0.000 1.381 283 I CA -0.328 60.965 61.300 -0.011 0.000 0.988 283 I CB 2.314 40.362 38.000 0.080 0.000 1.307 283 I HN 0.854 nan 8.210 nan 0.000 0.460 284 D N 2.816 123.270 120.400 0.090 0.000 2.677 284 D HA 0.673 5.313 4.640 0.000 0.000 0.298 284 D C -1.546 174.983 176.300 0.382 0.000 1.250 284 D CA -0.510 53.586 54.000 0.159 0.000 0.888 284 D CB 1.900 42.699 40.800 -0.002 0.000 1.397 284 D HN 0.548 nan 8.370 nan 0.000 0.461 285 S N -1.256 114.666 115.700 0.371 0.000 3.488 285 S HA 0.441 4.911 4.470 0.000 0.000 0.820 285 S C 0.609 175.311 174.600 0.170 0.000 0.493 285 S CA 0.561 58.893 58.200 0.220 0.000 1.476 285 S CB -1.344 61.939 63.200 0.139 0.000 0.932 285 S HN 1.958 nan 8.310 nan 0.000 1.058 286 G N 1.277 110.167 108.800 0.150 0.000 2.195 286 G HA2 -0.233 3.727 3.960 0.000 0.000 0.224 286 G HA3 -0.233 3.727 3.960 0.000 0.000 0.224 286 G C -0.119 174.810 174.900 0.048 0.000 0.990 286 G CA -0.123 45.044 45.100 0.112 0.000 0.639 286 G HN 0.865 nan 8.290 nan 0.000 0.514 287 F N 1.431 121.452 119.950 0.117 0.000 2.506 287 F HA 0.589 5.116 4.527 0.000 0.000 0.371 287 F C 1.686 177.439 175.800 -0.079 0.000 1.078 287 F CA -0.013 57.936 58.000 -0.084 0.000 1.195 287 F CB 0.821 39.776 39.000 -0.074 0.000 1.099 287 F HN -0.064 nan 8.300 nan 0.000 0.548 288 R N 1.205 121.697 120.500 -0.014 0.000 2.551 288 R HA 0.218 4.558 4.340 0.000 0.000 0.202 288 R C 0.407 176.713 176.300 0.010 0.000 0.861 288 R CA -0.058 56.063 56.100 0.035 0.000 1.018 288 R CB 0.299 30.633 30.300 0.056 0.000 1.435 288 R HN 0.362 nan 8.270 nan 0.000 0.659 289 R N 0.226 120.690 120.500 -0.060 0.000 2.598 289 R HA 0.382 4.722 4.340 0.000 0.000 0.279 289 R C 1.156 177.439 176.300 -0.028 0.000 0.984 289 R CA -0.059 56.023 56.100 -0.031 0.000 0.999 289 R CB 1.130 31.408 30.300 -0.037 0.000 1.114 289 R HN 0.188 nan 8.270 nan 0.000 0.493 290 G N 0.509 109.312 108.800 0.005 0.000 2.450 290 G HA2 -0.297 3.663 3.960 0.000 0.000 0.220 290 G HA3 -0.297 3.663 3.960 0.000 0.000 0.220 290 G C 1.295 176.219 174.900 0.039 0.000 1.130 290 G CA 1.252 46.358 45.100 0.010 0.000 0.760 290 G HN 0.646 nan 8.290 nan 0.000 0.557 291 S N 1.122 116.865 115.700 0.072 0.000 2.382 291 S HA -0.142 4.328 4.470 0.000 0.000 0.228 291 S C 1.771 176.413 174.600 0.070 0.000 1.027 291 S CA 1.653 59.969 58.200 0.193 0.000 0.991 291 S CB -0.288 63.047 63.200 0.225 0.000 0.823 291 S HN 0.355 nan 8.310 nan 0.000 0.469 292 D N 1.957 122.253 120.400 -0.174 0.000 2.117 292 D HA 0.010 4.650 4.640 0.000 0.000 0.197 292 D C 1.962 178.248 176.300 -0.024 0.000 0.987 292 D CA 1.147 54.802 54.000 -0.575 0.000 0.829 292 D CB -0.433 39.570 40.800 -1.329 0.000 0.961 292 D HN 0.455 nan 8.370 nan 0.000 0.460 293 I N 0.645 121.288 120.570 0.123 0.000 2.179 293 I HA -0.224 3.946 4.170 0.000 0.000 0.242 293 I C 2.478 178.650 176.117 0.093 0.000 1.088 293 I CA 0.655 62.039 61.300 0.140 0.000 1.357 293 I CB -0.159 37.844 38.000 0.004 0.000 1.051 293 I HN -0.130 nan 8.210 nan 0.000 0.409 294 V N 0.750 120.720 119.914 0.093 0.000 2.407 294 V HA -0.277 3.843 4.120 0.000 0.000 0.248 294 V C 2.400 178.583 176.094 0.148 0.000 1.055 294 V CA 1.764 64.117 62.300 0.090 0.000 1.049 294 V CB -0.699 31.170 31.823 0.078 0.000 0.662 294 V HN 0.379 nan 8.190 nan 0.000 0.455 295 K N 0.271 120.787 120.400 0.193 0.000 2.057 295 K HA -0.137 4.183 4.320 0.000 0.000 0.207 295 K C 2.316 178.892 176.600 -0.041 0.000 1.049 295 K CA 1.537 57.863 56.287 0.066 0.000 0.931 295 K CB -0.416 32.090 32.500 0.011 0.000 0.714 295 K HN 0.482 nan 8.250 nan 0.000 0.440 296 A N 1.239 124.120 122.820 0.102 0.000 1.898 296 A HA -0.113 4.207 4.320 0.000 0.000 0.216 296 A C 2.111 179.700 177.584 0.009 0.000 1.181 296 A CA 1.182 53.276 52.037 0.094 0.000 0.620 296 A CB -0.605 18.595 19.000 0.334 0.000 0.819 296 A HN 0.148 nan 8.150 nan 0.000 0.442 297 L N -0.711 120.516 121.223 0.006 0.000 2.046 297 L HA -0.198 4.142 4.340 0.000 0.000 0.208 297 L C 3.082 179.941 176.870 -0.018 0.000 1.077 297 L CA 1.070 55.897 54.840 -0.022 0.000 0.747 297 L CB -0.579 41.456 42.059 -0.040 0.000 0.896 297 L HN 0.433 nan 8.230 nan 0.000 0.432 298 A N -0.032 122.783 122.820 -0.008 0.000 1.978 298 A HA -0.148 4.172 4.320 0.000 0.000 0.220 298 A C 2.131 179.716 177.584 0.001 0.000 1.170 298 A CA 1.369 53.416 52.037 0.017 0.000 0.636 298 A CB -0.641 18.404 19.000 0.074 0.000 0.810 298 A HN 0.414 nan 8.150 nan 0.000 0.448 299 L N -1.554 119.632 121.223 -0.061 0.000 2.599 299 L HA 0.184 4.524 4.340 0.000 0.000 0.230 299 L C 1.642 178.499 176.870 -0.021 0.000 1.141 299 L CA 0.584 55.380 54.840 -0.072 0.000 0.877 299 L CB -0.034 41.912 42.059 -0.188 0.000 1.009 299 L HN 0.609 nan 8.230 nan 0.000 0.447 300 G N -0.720 108.074 108.800 -0.009 0.000 2.192 300 G HA2 -0.197 3.763 3.960 0.000 0.000 0.193 300 G HA3 -0.197 3.763 3.960 0.000 0.000 0.193 300 G C 0.400 175.300 174.900 0.001 0.000 0.999 300 G CA -0.208 44.894 45.100 0.004 0.000 0.659 300 G HN 0.409 nan 8.290 nan 0.000 0.503 301 A N 0.325 123.141 122.820 -0.007 0.000 2.511 301 A HA 0.599 4.919 4.320 0.000 0.000 0.242 301 A C 1.154 178.726 177.584 -0.021 0.000 1.069 301 A CA 1.407 53.437 52.037 -0.011 0.000 0.763 301 A CB 0.439 19.426 19.000 -0.021 0.000 1.001 301 A HN 0.708 nan 8.150 nan 0.000 0.498 302 E N 1.435 121.628 120.200 -0.013 0.000 2.107 302 E HA 0.252 4.602 4.350 0.000 0.000 0.191 302 E C 0.499 177.079 176.600 -0.033 0.000 0.982 302 E CA 1.434 57.829 56.400 -0.008 0.000 0.809 302 E CB 0.045 29.755 29.700 0.017 0.000 0.756 302 E HN 1.013 nan 8.360 nan 0.000 0.459 303 A N -1.022 121.762 122.820 -0.061 0.000 2.566 303 A HA 0.557 4.877 4.320 0.000 0.000 0.290 303 A C -1.663 175.805 177.584 -0.192 0.000 1.071 303 A CA -0.698 51.270 52.037 -0.115 0.000 0.658 303 A CB 1.592 20.535 19.000 -0.096 0.000 1.285 303 A HN -0.021 nan 8.150 nan 0.000 0.427 304 V N 0.868 120.610 119.914 -0.286 0.000 2.540 304 V HA 0.529 4.649 4.120 0.000 0.000 0.302 304 V C -0.859 175.006 176.094 -0.382 0.000 1.035 304 V CA -0.368 61.646 62.300 -0.477 0.000 0.873 304 V CB 1.325 32.699 31.823 -0.750 0.000 0.992 304 V HN 0.692 nan 8.190 nan 0.000 0.428 305 L N 5.524 126.540 121.223 -0.344 0.000 2.307 305 L HA 0.526 4.866 4.340 0.000 0.000 0.282 305 L C -0.225 176.513 176.870 -0.220 0.000 1.051 305 L CA 0.018 54.700 54.840 -0.262 0.000 0.804 305 L CB 1.150 43.079 42.059 -0.216 0.000 1.197 305 L HN 0.401 nan 8.230 nan 0.000 0.431 306 L N 2.233 123.342 121.223 -0.189 0.000 2.312 306 L HA 0.565 4.905 4.340 0.000 0.000 0.281 306 L C 0.906 177.695 176.870 -0.135 0.000 1.070 306 L CA -0.118 54.642 54.840 -0.133 0.000 0.805 306 L CB 1.261 43.243 42.059 -0.127 0.000 1.174 306 L HN 0.824 nan 8.230 nan 0.000 0.434 307 G N 1.650 110.381 108.800 -0.116 0.000 2.583 307 G HA2 0.109 4.069 3.960 0.000 0.000 0.214 307 G HA3 0.109 4.069 3.960 0.000 0.000 0.214 307 G C 1.181 175.958 174.900 -0.205 0.000 2.072 307 G CA -0.234 44.779 45.100 -0.145 0.000 0.745 307 G HN 0.558 nan 8.290 nan 0.000 0.762 308 R N 0.649 120.988 120.500 -0.269 0.000 2.120 308 R HA 0.034 4.374 4.340 0.000 0.000 0.234 308 R C 2.858 178.664 176.300 -0.822 0.000 1.123 308 R CA 1.051 56.819 56.100 -0.554 0.000 0.975 308 R CB -0.384 29.577 30.300 -0.564 0.000 0.866 308 R HN 0.345 nan 8.270 nan 0.000 0.446 309 A N 1.123 123.692 122.820 -0.418 0.000 1.884 309 A HA -0.237 4.083 4.320 0.000 0.000 0.219 309 A C 2.251 179.732 177.584 -0.172 0.000 1.197 309 A CA 2.441 54.358 52.037 -0.200 0.000 0.637 309 A CB -1.118 17.856 19.000 -0.043 0.000 0.827 309 A HN 0.486 nan 8.150 nan 0.000 0.450 310 T N -1.317 113.135 114.554 -0.170 0.000 2.995 310 T HA 0.106 4.457 4.350 0.000 0.000 0.269 310 T C 1.693 176.324 174.700 -0.114 0.000 1.091 310 T CA 1.078 63.098 62.100 -0.133 0.000 1.128 310 T CB -0.350 68.455 68.868 -0.105 0.000 0.891 310 T HN 0.310 nan 8.240 nan 0.000 0.492 311 L N -0.712 120.408 121.223 -0.171 0.000 2.217 311 L HA 0.012 4.352 4.340 0.000 0.000 0.211 311 L C 2.414 179.303 176.870 0.031 0.000 1.107 311 L CA 1.074 55.859 54.840 -0.090 0.000 0.783 311 L CB -0.625 41.350 42.059 -0.139 0.000 0.919 311 L HN 0.197 nan 8.230 nan 0.000 0.442 312 Y N 0.231 120.567 120.300 0.059 0.000 2.242 312 Y HA -0.091 4.459 4.550 0.000 0.000 0.291 312 Y C 2.581 178.553 175.900 0.121 0.000 1.137 312 Y CA 0.807 58.980 58.100 0.121 0.000 1.181 312 Y CB -1.371 37.180 38.460 0.152 0.000 0.989 312 Y HN 0.075 nan 8.280 nan 0.000 0.527 313 G N -0.301 108.583 108.800 0.141 0.000 2.402 313 G HA2 -0.214 3.746 3.960 0.000 0.000 0.216 313 G HA3 -0.214 3.746 3.960 0.000 0.000 0.216 313 G C 1.734 176.595 174.900 -0.065 0.000 1.162 313 G CA 0.908 45.989 45.100 -0.031 0.000 0.777 313 G HN 0.354 nan 8.290 nan 0.000 0.539 314 L N 1.367 122.549 121.223 -0.069 0.000 1.994 314 L HA 0.162 4.502 4.340 0.000 0.000 0.208 314 L C 3.088 179.926 176.870 -0.052 0.000 1.071 314 L CA 2.333 57.089 54.840 -0.140 0.000 0.745 314 L CB -0.755 41.296 42.059 -0.013 0.000 0.892 314 L HN 0.216 nan 8.230 nan 0.000 0.431 315 A N -0.581 122.344 122.820 0.175 0.000 1.908 315 A HA -0.127 4.193 4.320 0.000 0.000 0.218 315 A C 2.388 180.181 177.584 0.348 0.000 1.181 315 A CA 2.046 54.288 52.037 0.342 0.000 0.627 315 A CB -1.159 18.045 19.000 0.340 0.000 0.818 315 A HN 0.615 nan 8.150 nan 0.000 0.445 316 A N -1.017 121.930 122.820 0.212 0.000 1.898 316 A HA 0.077 4.397 4.320 0.000 0.000 0.214 316 A C 1.868 179.498 177.584 0.077 0.000 1.183 316 A CA 1.141 53.288 52.037 0.184 0.000 0.622 316 A CB -0.044 19.067 19.000 0.184 0.000 0.824 316 A HN 0.461 nan 8.150 nan 0.000 0.444 317 R N -1.541 118.840 120.500 -0.199 0.000 2.599 317 R HA 0.346 4.686 4.340 0.000 0.000 0.451 317 R C 0.798 176.511 176.300 -0.978 0.000 0.988 317 R CA 0.183 56.039 56.100 -0.408 0.000 1.085 317 R CB 0.341 30.582 30.300 -0.098 0.000 1.452 317 R HN 0.614 nan 8.270 nan 0.000 0.596 318 G N 2.153 109.781 108.800 -1.952 0.000 2.574 318 G HA2 -0.439 3.521 3.960 0.000 0.000 0.282 318 G HA3 -0.439 3.521 3.960 0.000 0.000 0.282 318 G C 0.768 175.195 174.900 -0.788 0.000 1.257 318 G CA 0.643 44.500 45.100 -2.072 0.000 0.956 318 G HN 0.432 nan 8.290 nan 0.000 0.560 319 E N -0.959 118.950 120.200 -0.486 0.000 2.070 319 E HA -0.174 4.176 4.350 0.000 0.000 0.197 319 E C 2.709 179.181 176.600 -0.213 0.000 1.004 319 E CA 2.336 58.587 56.400 -0.249 0.000 0.805 319 E CB -0.459 29.162 29.700 -0.131 0.000 0.744 319 E HN 0.560 nan 8.360 nan 0.000 0.451 320 T N -0.325 114.113 114.554 -0.194 0.000 2.759 320 T HA -0.144 4.206 4.350 0.000 0.000 0.269 320 T C 1.665 176.278 174.700 -0.145 0.000 1.042 320 T CA 1.160 63.180 62.100 -0.133 0.000 1.140 320 T CB -0.589 68.228 68.868 -0.086 0.000 0.864 320 T HN 0.431 nan 8.240 nan 0.000 0.455 321 G N 0.965 109.646 108.800 -0.197 0.000 2.418 321 G HA2 -0.156 3.804 3.960 0.000 0.000 0.217 321 G HA3 -0.156 3.804 3.960 0.000 0.000 0.217 321 G C 1.687 176.426 174.900 -0.268 0.000 1.158 321 G CA 0.871 45.876 45.100 -0.159 0.000 0.771 321 G HN 0.455 nan 8.290 nan 0.000 0.545 322 V N 1.446 121.216 119.914 -0.240 0.000 2.307 322 V HA -0.147 3.973 4.120 0.000 0.000 0.245 322 V C 2.551 178.528 176.094 -0.196 0.000 1.045 322 V CA 2.038 64.211 62.300 -0.212 0.000 1.024 322 V CB -0.451 31.273 31.823 -0.165 0.000 0.651 322 V HN 0.262 nan 8.190 nan 0.000 0.449 323 D N 0.129 120.431 120.400 -0.163 0.000 2.133 323 D HA -0.194 4.446 4.640 0.000 0.000 0.195 323 D C 2.199 178.415 176.300 -0.141 0.000 0.997 323 D CA 1.537 55.460 54.000 -0.129 0.000 0.840 323 D CB -0.171 40.569 40.800 -0.099 0.000 0.947 323 D HN 0.587 nan 8.370 nan 0.000 0.452 324 E N 0.220 120.318 120.200 -0.169 0.000 2.051 324 E HA -0.111 4.239 4.350 0.000 0.000 0.192 324 E C 2.347 178.781 176.600 -0.277 0.000 0.991 324 E CA 0.578 56.875 56.400 -0.173 0.000 0.799 324 E CB 0.062 29.699 29.700 -0.105 0.000 0.748 324 E HN 0.065 nan 8.360 nan 0.000 0.449 325 V N 1.495 121.138 119.914 -0.451 0.000 2.343 325 V HA -0.246 3.874 4.120 0.000 0.000 0.247 325 V C 2.263 178.235 176.094 -0.204 0.000 1.051 325 V CA 1.457 63.508 62.300 -0.414 0.000 1.036 325 V CB -0.381 31.187 31.823 -0.425 0.000 0.654 325 V HN 0.267 nan 8.190 nan 0.000 0.451 326 L N 0.400 121.521 121.223 -0.170 0.000 2.141 326 L HA -0.138 4.202 4.340 0.000 0.000 0.209 326 L C 2.776 179.592 176.870 -0.090 0.000 1.094 326 L CA 1.929 56.699 54.840 -0.118 0.000 0.763 326 L CB -0.966 41.028 42.059 -0.108 0.000 0.908 326 L HN 0.597 nan 8.230 nan 0.000 0.437 327 T N -2.301 112.202 114.554 -0.086 0.000 2.857 327 T HA -0.095 4.255 4.350 0.000 0.000 0.266 327 T C 1.863 176.542 174.700 -0.035 0.000 1.048 327 T CA 0.672 62.739 62.100 -0.054 0.000 1.139 327 T CB -0.353 68.490 68.868 -0.043 0.000 0.874 327 T HN 0.195 nan 8.240 nan 0.000 0.455 328 L N 0.207 121.409 121.223 -0.035 0.000 2.027 328 L HA 0.075 4.415 4.340 0.000 0.000 0.206 328 L C 2.863 179.730 176.870 -0.005 0.000 1.074 328 L CA 1.159 56.001 54.840 0.004 0.000 0.745 328 L CB -0.570 41.506 42.059 0.029 0.000 0.898 328 L HN 0.249 nan 8.230 nan 0.000 0.433 329 L N -0.159 121.045 121.223 -0.031 0.000 2.046 329 L HA -0.256 4.084 4.340 0.000 0.000 0.208 329 L C 2.740 179.589 176.870 -0.036 0.000 1.077 329 L CA 1.372 56.194 54.840 -0.031 0.000 0.747 329 L CB -0.445 41.584 42.059 -0.051 0.000 0.896 329 L HN 0.282 nan 8.230 nan 0.000 0.432 330 K N 0.271 120.644 120.400 -0.044 0.000 2.026 330 K HA -0.187 4.133 4.320 0.000 0.000 0.208 330 K C 2.102 178.682 176.600 -0.034 0.000 1.048 330 K CA 1.407 57.667 56.287 -0.045 0.000 0.929 330 K CB -0.090 32.381 32.500 -0.047 0.000 0.713 330 K HN 0.265 nan 8.250 nan 0.000 0.439 331 A N 1.306 124.113 122.820 -0.022 0.000 1.969 331 A HA -0.188 4.132 4.320 0.000 0.000 0.218 331 A C 1.849 179.427 177.584 -0.010 0.000 1.169 331 A CA 1.887 53.916 52.037 -0.012 0.000 0.635 331 A CB -0.537 18.466 19.000 0.004 0.000 0.810 331 A HN 0.513 nan 8.150 nan 0.000 0.445 332 D N 0.275 120.672 120.400 -0.006 0.000 2.084 332 D HA -0.115 4.525 4.640 0.000 0.000 0.196 332 D C 1.817 178.105 176.300 -0.020 0.000 0.985 332 D CA 1.337 55.336 54.000 -0.001 0.000 0.826 332 D CB -0.267 40.539 40.800 0.010 0.000 0.978 332 D HN 0.454 nan 8.370 nan 0.000 0.456 333 I N 0.532 121.083 120.570 -0.032 0.000 2.163 333 I HA -0.268 3.902 4.170 0.000 0.000 0.243 333 I C 2.220 178.296 176.117 -0.068 0.000 1.085 333 I CA 1.644 62.913 61.300 -0.051 0.000 1.347 333 I CB -0.341 37.625 38.000 -0.056 0.000 1.044 333 I HN 0.074 nan 8.210 nan 0.000 0.408 334 D N 0.795 121.161 120.400 -0.057 0.000 2.104 334 D HA -0.273 4.367 4.640 0.000 0.000 0.194 334 D C 2.340 178.603 176.300 -0.063 0.000 0.994 334 D CA 1.509 55.473 54.000 -0.059 0.000 0.830 334 D CB -0.087 40.687 40.800 -0.044 0.000 0.959 334 D HN 0.080 nan 8.370 nan 0.000 0.452 335 R N -0.752 119.718 120.500 -0.050 0.000 2.096 335 R HA -0.103 4.237 4.340 0.000 0.000 0.235 335 R C 1.930 178.185 176.300 -0.075 0.000 1.127 335 R CA 1.762 57.833 56.100 -0.047 0.000 0.968 335 R CB -0.340 29.945 30.300 -0.026 0.000 0.861 335 R HN 0.195 nan 8.270 nan 0.000 0.440 336 T N 1.496 115.993 114.554 -0.095 0.000 2.777 336 T HA -0.078 4.272 4.350 0.000 0.000 0.266 336 T C 1.794 176.353 174.700 -0.235 0.000 1.040 336 T CA 1.166 63.166 62.100 -0.168 0.000 1.141 336 T CB -0.081 68.690 68.868 -0.162 0.000 0.868 336 T HN 0.173 nan 8.240 nan 0.000 0.444 337 L N 0.773 121.882 121.223 -0.190 0.000 2.046 337 L HA -0.112 4.228 4.340 0.000 0.000 0.208 337 L C 3.094 179.870 176.870 -0.157 0.000 1.077 337 L CA 1.315 56.032 54.840 -0.204 0.000 0.747 337 L CB -0.764 41.200 42.059 -0.159 0.000 0.896 337 L HN 0.250 nan 8.230 nan 0.000 0.432 338 A N -0.296 122.459 122.820 -0.109 0.000 1.883 338 A HA -0.275 4.045 4.320 0.000 0.000 0.217 338 A C 2.201 179.743 177.584 -0.069 0.000 1.186 338 A CA 1.754 53.747 52.037 -0.073 0.000 0.624 338 A CB -0.565 18.403 19.000 -0.052 0.000 0.822 338 A HN 0.466 nan 8.150 nan 0.000 0.444 339 Q N -0.578 119.169 119.800 -0.088 0.000 2.170 339 Q HA -0.097 4.243 4.340 0.000 0.000 0.203 339 Q C 1.857 177.808 176.000 -0.081 0.000 0.976 339 Q CA 1.623 57.380 55.803 -0.075 0.000 0.858 339 Q CB -0.374 28.317 28.738 -0.078 0.000 0.907 339 Q HN 0.966 nan 8.270 nan 0.000 0.433 340 I N -4.638 115.845 120.570 -0.146 0.000 3.883 340 I HA 0.375 4.545 4.170 0.000 0.000 0.326 340 I C 0.809 176.962 176.117 0.059 0.000 1.283 340 I CA 0.429 61.678 61.300 -0.085 0.000 1.161 340 I CB 0.130 37.969 38.000 -0.269 0.000 1.012 340 I HN 0.129 nan 8.210 nan 0.000 0.421 341 G N 1.603 110.406 108.800 0.005 0.000 2.225 341 G HA2 -0.303 3.657 3.960 0.000 0.000 0.264 341 G HA3 -0.303 3.657 3.960 0.000 0.000 0.264 341 G C 0.017 174.968 174.900 0.085 0.000 1.060 341 G CA 0.080 45.216 45.100 0.061 0.000 0.833 341 G HN 0.571 nan 8.290 nan 0.000 0.498 342 C N 1.805 121.058 119.300 -0.079 0.000 2.816 342 C HA 0.608 5.068 4.460 0.000 0.000 0.255 342 C C 0.152 175.064 174.990 -0.131 0.000 1.141 342 C CA -1.241 57.680 59.018 -0.163 0.000 1.554 342 C CB 0.421 27.807 27.740 -0.590 0.000 1.778 342 C HN 0.389 nan 8.230 nan 0.000 0.429 343 P HA -0.121 nan 4.420 nan 0.000 0.216 343 P C 0.166 177.429 177.300 -0.062 0.000 1.150 343 P CA 1.527 64.595 63.100 -0.054 0.000 0.843 343 P CB 0.133 31.817 31.700 -0.027 0.000 0.787 344 D N -0.455 119.911 120.400 -0.057 0.000 2.329 344 D HA 0.124 4.764 4.640 0.000 0.000 0.232 344 D C 1.184 177.437 176.300 -0.078 0.000 1.088 344 D CA -0.593 53.375 54.000 -0.053 0.000 0.835 344 D CB 0.960 41.742 40.800 -0.030 0.000 1.078 344 D HN -0.105 nan 8.370 nan 0.000 0.495 345 I N 3.052 123.573 120.570 -0.082 0.000 2.423 345 I HA -0.283 3.887 4.170 0.000 0.000 0.254 345 I C 1.972 178.043 176.117 -0.077 0.000 1.151 345 I CA 1.413 62.655 61.300 -0.096 0.000 1.421 345 I CB 0.231 38.181 38.000 -0.083 0.000 1.079 345 I HN 0.480 nan 8.210 nan 0.000 0.431 346 T N -3.481 111.043 114.554 -0.051 0.000 3.160 346 T HA 0.030 4.380 4.350 0.000 0.000 0.257 346 T C 1.493 176.181 174.700 -0.020 0.000 1.147 346 T CA 0.894 62.975 62.100 -0.031 0.000 1.064 346 T CB -0.149 68.708 68.868 -0.018 0.000 0.949 346 T HN 0.202 nan 8.240 nan 0.000 0.526 347 S N 0.529 116.212 115.700 -0.030 0.000 2.556 347 S HA 0.381 4.851 4.470 0.000 0.000 0.216 347 S C 0.633 175.243 174.600 0.017 0.000 0.970 347 S CA -0.460 57.745 58.200 0.008 0.000 0.912 347 S CB -0.307 62.908 63.200 0.024 0.000 0.790 347 S HN 0.495 nan 8.310 nan 0.000 0.504 348 L N 2.903 124.084 121.223 -0.070 0.000 2.514 348 L HA 0.133 4.473 4.340 0.000 0.000 0.280 348 L C 0.626 177.541 176.870 0.075 0.000 1.223 348 L CA 0.047 54.824 54.840 -0.105 0.000 0.864 348 L CB 0.322 42.301 42.059 -0.133 0.000 1.118 348 L HN 0.278 nan 8.230 nan 0.000 0.494 349 S N 1.313 117.151 115.700 0.231 0.000 2.625 349 S HA 0.457 4.927 4.470 0.000 0.000 0.271 349 S C -2.477 172.271 174.600 0.245 0.000 1.161 349 S CA -1.165 57.162 58.200 0.211 0.000 0.820 349 S CB 1.885 65.202 63.200 0.196 0.000 1.137 349 S HN 0.288 nan 8.310 nan 0.000 0.470 350 P HA 0.009 nan 4.420 nan 0.000 0.226 350 P C 0.571 177.957 177.300 0.143 0.000 1.146 350 P CA 0.895 64.074 63.100 0.131 0.000 0.773 350 P CB -0.055 31.703 31.700 0.096 0.000 0.772 351 D N -1.771 118.694 120.400 0.108 0.000 2.218 351 D HA -0.147 4.493 4.640 0.000 0.000 0.204 351 D C 1.021 177.268 176.300 -0.088 0.000 0.976 351 D CA 1.100 55.081 54.000 -0.032 0.000 0.853 351 D CB -0.342 40.358 40.800 -0.167 0.000 0.939 351 D HN 0.270 nan 8.370 nan 0.000 0.481 352 Y N -0.333 120.028 120.300 0.102 0.000 2.490 352 Y HA 0.217 4.767 4.550 0.000 0.000 0.281 352 Y C 0.772 176.820 175.900 0.246 0.000 1.174 352 Y CA 0.061 58.247 58.100 0.144 0.000 1.295 352 Y CB 0.172 38.700 38.460 0.115 0.000 1.062 352 Y HN -0.150 nan 8.280 nan 0.000 0.522 353 L N 0.127 121.537 121.223 0.312 0.000 2.322 353 L HA 0.558 4.898 4.340 0.000 0.000 0.269 353 L C -0.562 176.445 176.870 0.228 0.000 1.012 353 L CA -1.306 53.708 54.840 0.291 0.000 0.815 353 L CB 1.630 43.850 42.059 0.269 0.000 1.295 353 L HN -0.175 nan 8.230 nan 0.000 0.438 354 Q N 1.737 121.666 119.800 0.216 0.000 2.310 354 Q HA 0.340 4.680 4.340 0.000 0.000 0.270 354 Q C -1.293 174.779 176.000 0.120 0.000 1.025 354 Q CA -0.502 55.385 55.803 0.141 0.000 0.772 354 Q CB 1.340 30.133 28.738 0.091 0.000 1.253 354 Q HN 0.434 nan 8.270 nan 0.000 0.450 355 N N 3.540 122.281 118.700 0.069 0.000 2.497 355 N HA 0.145 4.885 4.740 0.000 0.000 0.268 355 N C -0.420 175.008 175.510 -0.137 0.000 1.171 355 N CA 0.098 53.081 53.050 -0.111 0.000 0.948 355 N CB 0.793 39.223 38.487 -0.095 0.000 1.069 355 N HN 0.599 nan 8.380 nan 0.000 0.460 356 E N 0.000 120.063 120.200 -0.229 0.000 2.725 356 E HA 0.000 4.350 4.350 0.000 0.000 0.291 356 E CA 0.000 56.305 56.400 -0.158 0.000 0.976 356 E CB 0.000 29.622 29.700 -0.131 0.000 0.812 356 E HN 0.000 nan 8.360 nan 0.000 0.440