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 3nc6_1_B DATA FIRST_RESID 4 DATA SEQUENCE SIKLFSVLSD QFQNNPYAYF SQLREEDPVH YEESIDSYFI SRYHDVRYIL DATA SEQUENCE QHPDIFTTKS LVERAEPVMR XXXXXXXXXX XXSAKRRIVV RSFIGDALDH DATA SEQUENCE LSPLIKQNAE NLLAPYLERG KSDLVNDFGK TFAVCVTMDM LGLDKRDHEK DATA SEQUENCE ISEWHSGVAD FITSISQSPE ARAHSLWCSE QLSQYLMPVI KERRVNPGSD DATA SEQUENCE LISILCTSEY EGMALSDKDI LALILNVLLA ATEPADKTLA LMIYHLLNNP DATA SEQUENCE EQMNDVLADR SLVPRAIAET LRYKPPVQLI PRQLSQDTVV GGMEIKKDTI DATA SEQUENCE VFCMIGAANR DPEAFEQPDV FNIHREDLGI KSAFSGAARH LAFGSGIHNC DATA SEQUENCE VGTAFAKNEI EIVANIVLDK MRNIRLEEDF CYAESGLYTR GPVSLLVAFD DATA SEQUENCE G 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 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.623 174.600 0.038 0.000 1.055 4 S CA 0.000 58.216 58.200 0.026 0.000 1.107 4 S CB 0.000 63.218 63.200 0.030 0.000 0.593 5 I N -0.637 119.963 120.570 0.049 0.000 3.069 5 I HA 0.943 5.112 4.170 -0.001 0.000 0.324 5 I C -0.158 176.012 176.117 0.089 0.000 1.564 5 I CA -0.297 61.049 61.300 0.076 0.000 0.931 5 I CB -0.245 37.782 38.000 0.045 0.000 1.237 5 I HN 1.652 nan 8.210 nan 0.000 0.482 6 K N 0.870 121.345 120.400 0.125 0.000 2.231 6 K HA 0.925 5.244 4.320 -0.001 0.000 0.275 6 K C 0.303 177.046 176.600 0.239 0.000 1.105 6 K CA 0.424 56.815 56.287 0.173 0.000 0.931 6 K CB -0.100 32.482 32.500 0.136 0.000 1.296 6 K HN 2.513 nan 8.250 nan 0.000 0.446 7 L N 1.619 122.961 121.223 0.199 0.000 2.638 7 L HA 0.524 4.863 4.340 -0.001 0.000 0.232 7 L C 1.106 178.067 176.870 0.151 0.000 1.099 7 L CA -0.202 54.732 54.840 0.157 0.000 0.883 7 L CB -1.414 40.705 42.059 0.101 0.000 1.136 7 L HN 0.848 nan 8.230 nan 0.000 0.492 8 F N 1.672 121.626 119.950 0.007 0.000 2.623 8 F HA 0.303 4.830 4.527 -0.001 0.000 0.381 8 F C 1.016 176.761 175.800 -0.091 0.000 1.081 8 F CA 1.071 59.035 58.000 -0.060 0.000 1.293 8 F CB 0.607 39.558 39.000 -0.083 0.000 1.006 8 F HN 0.158 nan 8.300 nan 0.000 0.578 9 S N 4.663 119.860 115.700 -0.839 0.000 2.475 9 S HA 0.444 4.914 4.470 -0.001 0.000 0.298 9 S C 0.522 174.441 174.600 -1.135 0.000 1.119 9 S CA -0.496 57.277 58.200 -0.712 0.000 1.085 9 S CB 1.170 64.070 63.200 -0.500 0.000 1.028 9 S HN 0.800 nan 8.310 nan 0.000 0.489 10 V N 4.516 123.826 119.914 -1.007 0.000 3.630 10 V HA 0.248 4.367 4.120 -0.001 0.000 0.273 10 V C 1.102 176.603 176.094 -0.987 0.000 1.248 10 V CA 0.745 62.165 62.300 -1.467 0.000 1.170 10 V CB -1.071 29.786 31.823 -1.611 0.000 0.899 10 V HN 0.815 nan 8.190 nan 0.000 0.457 11 L N 0.907 121.718 121.223 -0.686 0.000 2.513 11 L HA 0.233 4.572 4.340 -0.001 0.000 0.222 11 L C 1.617 178.316 176.870 -0.285 0.000 1.096 11 L CA 0.523 55.123 54.840 -0.400 0.000 0.857 11 L CB -0.108 41.741 42.059 -0.351 0.000 1.026 11 L HN 0.513 nan 8.230 nan 0.000 0.469 12 S N -0.278 115.191 115.700 -0.385 0.000 2.558 12 S HA -0.092 4.377 4.470 -0.001 0.000 0.287 12 S C 0.861 175.368 174.600 -0.153 0.000 1.321 12 S CA -0.444 57.581 58.200 -0.291 0.000 1.048 12 S CB 0.701 63.642 63.200 -0.431 0.000 0.844 12 S HN 0.151 nan 8.310 nan 0.000 0.512 13 D N 1.289 121.627 120.400 -0.104 0.000 2.172 13 D HA -0.184 4.456 4.640 -0.001 0.000 0.196 13 D C 1.828 178.105 176.300 -0.039 0.000 0.999 13 D CA 1.683 55.649 54.000 -0.057 0.000 0.856 13 D CB -0.249 40.525 40.800 -0.043 0.000 0.934 13 D HN 0.834 nan 8.370 nan 0.000 0.453 14 Q N -0.897 118.878 119.800 -0.042 0.000 2.119 14 Q HA -0.147 4.192 4.340 -0.001 0.000 0.201 14 Q C 2.113 178.120 176.000 0.012 0.000 0.972 14 Q CA 0.770 56.589 55.803 0.026 0.000 0.847 14 Q CB -0.112 28.677 28.738 0.085 0.000 0.903 14 Q HN 0.292 nan 8.270 nan 0.000 0.433 15 F N 1.091 120.873 119.950 -0.281 0.000 2.128 15 F HA -0.168 4.359 4.527 -0.001 0.000 0.295 15 F C 2.401 178.097 175.800 -0.174 0.000 1.100 15 F CA 1.772 59.546 58.000 -0.377 0.000 1.260 15 F CB -0.235 38.460 39.000 -0.510 0.000 1.009 15 F HN 0.076 nan 8.300 nan 0.000 0.476 16 Q N 0.436 120.197 119.800 -0.065 0.000 2.234 16 Q HA -0.266 4.074 4.340 -0.001 0.000 0.206 16 Q C 2.097 178.024 176.000 -0.121 0.000 0.980 16 Q CA 1.504 57.248 55.803 -0.099 0.000 0.869 16 Q CB -0.459 28.275 28.738 -0.006 0.000 0.912 16 Q HN 0.415 nan 8.270 nan 0.000 0.436 17 N N 1.081 119.735 118.700 -0.077 0.000 2.091 17 N HA -0.169 4.570 4.740 -0.001 0.000 0.193 17 N C -0.106 175.376 175.510 -0.046 0.000 1.021 17 N CA 1.364 54.391 53.050 -0.038 0.000 0.862 17 N CB -0.007 38.488 38.487 0.012 0.000 1.018 17 N HN 0.248 nan 8.380 nan 0.000 0.429 18 N N -2.043 116.605 118.700 -0.086 0.000 2.554 18 N HA 0.261 5.000 4.740 -0.001 0.000 0.271 18 N C -2.638 172.671 175.510 -0.335 0.000 1.081 18 N CA -1.199 51.801 53.050 -0.084 0.000 0.994 18 N CB 1.829 40.320 38.487 0.007 0.000 1.641 18 N HN -0.233 nan 8.380 nan 0.000 0.511 19 P HA 0.192 nan 4.420 nan 0.000 0.221 19 P C 0.452 176.981 177.300 -1.286 0.000 1.152 19 P CA 0.708 62.975 63.100 -1.389 0.000 0.851 19 P CB 0.195 31.172 31.700 -1.205 0.000 0.833 20 Y N -0.641 119.222 120.300 -0.729 0.000 2.680 20 Y HA 0.106 4.655 4.550 -0.001 0.000 0.303 20 Y C 1.972 177.657 175.900 -0.358 0.000 1.166 20 Y CA 0.387 58.151 58.100 -0.561 0.000 1.344 20 Y CB -0.952 37.387 38.460 -0.201 0.000 1.002 20 Y HN -0.059 nan 8.280 nan 0.000 0.537 21 A N -1.961 120.692 122.820 -0.279 0.000 2.267 21 A HA 0.155 4.475 4.320 -0.001 0.000 0.213 21 A C 0.778 178.021 177.584 -0.569 0.000 1.192 21 A CA 0.272 52.067 52.037 -0.403 0.000 0.851 21 A CB -0.275 18.399 19.000 -0.544 0.000 0.881 21 A HN 0.532 nan 8.150 nan 0.000 0.494 22 Y N -3.327 116.838 120.300 -0.225 0.000 2.432 22 Y HA 0.236 4.785 4.550 -0.001 0.000 0.252 22 Y C 1.459 177.394 175.900 0.059 0.000 1.097 22 Y CA -0.648 57.388 58.100 -0.108 0.000 1.250 22 Y CB 0.090 38.545 38.460 -0.008 0.000 1.245 22 Y HN 0.221 nan 8.280 nan 0.000 0.522 23 F N 0.849 120.918 119.950 0.197 0.000 2.120 23 F HA -0.279 4.248 4.527 -0.001 0.000 0.300 23 F C 2.349 178.215 175.800 0.110 0.000 1.095 23 F CA 1.505 59.598 58.000 0.156 0.000 1.249 23 F CB -1.155 37.914 39.000 0.115 0.000 0.995 23 F HN -0.049 nan 8.300 nan 0.000 0.480 24 S N -0.334 115.528 115.700 0.269 0.000 2.344 24 S HA -0.312 4.158 4.470 -0.001 0.000 0.217 24 S C 1.925 176.593 174.600 0.114 0.000 1.033 24 S CA 1.359 59.654 58.200 0.158 0.000 1.017 24 S CB -0.822 62.439 63.200 0.101 0.000 0.941 24 S HN 0.390 nan 8.310 nan 0.000 0.430 25 Q N 1.211 121.054 119.800 0.072 0.000 2.156 25 Q HA -0.179 4.160 4.340 -0.001 0.000 0.211 25 Q C 1.890 177.924 176.000 0.058 0.000 0.995 25 Q CA 1.641 57.465 55.803 0.035 0.000 0.877 25 Q CB -0.637 28.087 28.738 -0.022 0.000 0.920 25 Q HN 0.553 nan 8.270 nan 0.000 0.416 26 L N -0.021 121.265 121.223 0.106 0.000 1.973 26 L HA -0.182 4.158 4.340 -0.001 0.000 0.208 26 L C 2.762 179.708 176.870 0.126 0.000 1.073 26 L CA 2.053 56.958 54.840 0.108 0.000 0.746 26 L CB -0.514 41.653 42.059 0.180 0.000 0.891 26 L HN 0.364 nan 8.230 nan 0.000 0.433 27 R N -0.267 120.322 120.500 0.148 0.000 2.189 27 R HA -0.123 4.216 4.340 -0.001 0.000 0.218 27 R C 1.690 178.055 176.300 0.108 0.000 1.074 27 R CA 1.307 57.485 56.100 0.130 0.000 0.991 27 R CB -0.467 29.909 30.300 0.128 0.000 0.883 27 R HN 0.445 nan 8.270 nan 0.000 0.457 28 E N 0.838 121.096 120.200 0.096 0.000 2.076 28 E HA -0.099 4.250 4.350 -0.001 0.000 0.190 28 E C 1.520 178.163 176.600 0.072 0.000 0.979 28 E CA 1.246 57.693 56.400 0.077 0.000 0.807 28 E CB 0.216 29.955 29.700 0.065 0.000 0.761 28 E HN 0.561 nan 8.360 nan 0.000 0.454 29 E N -0.245 119.999 120.200 0.074 0.000 2.290 29 E HA -0.001 4.348 4.350 -0.001 0.000 0.199 29 E C 0.343 177.002 176.600 0.099 0.000 0.912 29 E CA 0.260 56.704 56.400 0.073 0.000 0.924 29 E CB 0.596 30.330 29.700 0.056 0.000 0.901 29 E HN -0.072 nan 8.360 nan 0.000 0.487 30 D N 0.570 121.041 120.400 0.118 0.000 2.772 30 D HA 0.099 4.738 4.640 -0.001 0.000 0.326 30 D C -2.016 174.407 176.300 0.205 0.000 1.207 30 D CA -1.894 52.212 54.000 0.176 0.000 0.777 30 D CB 0.841 41.773 40.800 0.220 0.000 1.169 30 D HN -0.085 nan 8.370 nan 0.000 0.506 31 P HA -0.022 nan 4.420 nan 0.000 0.237 31 P C 0.423 177.843 177.300 0.201 0.000 1.178 31 P CA 0.290 63.491 63.100 0.169 0.000 0.766 31 P CB 0.665 32.441 31.700 0.127 0.000 0.876 32 V N 1.063 121.116 119.914 0.233 0.000 2.271 32 V HA 0.141 4.261 4.120 -0.001 0.000 0.259 32 V C -0.127 176.233 176.094 0.444 0.000 1.030 32 V CA -0.724 61.742 62.300 0.276 0.000 0.957 32 V CB -0.634 31.282 31.823 0.154 0.000 1.186 32 V HN 0.077 nan 8.190 nan 0.000 0.471 33 H N 2.515 121.795 119.070 0.350 0.000 2.944 33 H HA 0.260 4.815 4.556 -0.001 0.000 0.278 33 H C -0.464 175.059 175.328 0.326 0.000 1.083 33 H CA -0.108 56.123 56.048 0.305 0.000 1.479 33 H CB 0.126 30.004 29.762 0.193 0.000 1.486 33 H HN 0.570 nan 8.280 nan 0.000 0.493 34 Y N 4.045 124.124 120.300 -0.368 0.000 2.411 34 Y HA 0.175 4.725 4.550 -0.001 0.000 0.333 34 Y C -0.102 175.343 175.900 -0.758 0.000 1.186 34 Y CA -0.175 57.485 58.100 -0.732 0.000 1.381 34 Y CB 0.595 38.689 38.460 -0.611 0.000 1.273 34 Y HN 0.664 nan 8.280 nan 0.000 0.546 35 E N 3.652 123.178 120.200 -1.124 0.000 2.191 35 E HA 0.208 4.557 4.350 -0.001 0.000 0.263 35 E C -0.081 175.890 176.600 -1.048 0.000 0.881 35 E CA -0.480 55.423 56.400 -0.828 0.000 0.757 35 E CB 1.426 30.867 29.700 -0.432 0.000 1.147 35 E HN 0.710 nan 8.360 nan 0.000 0.414 36 E N 1.333 121.149 120.200 -0.640 0.000 2.017 36 E HA -0.174 4.176 4.350 -0.001 0.000 0.193 36 E C 1.582 178.025 176.600 -0.261 0.000 0.997 36 E CA 1.996 58.174 56.400 -0.369 0.000 0.804 36 E CB -0.257 29.362 29.700 -0.134 0.000 0.757 36 E HN 0.591 nan 8.360 nan 0.000 0.448 37 S N 1.412 116.983 115.700 -0.215 0.000 2.343 37 S HA -0.138 4.331 4.470 -0.001 0.000 0.219 37 S C 1.281 175.824 174.600 -0.096 0.000 1.033 37 S CA 1.035 59.157 58.200 -0.130 0.000 1.014 37 S CB -1.127 61.998 63.200 -0.125 0.000 0.915 37 S HN 0.374 nan 8.310 nan 0.000 0.435 38 I N 0.628 121.139 120.570 -0.099 0.000 2.472 38 I HA 0.463 4.632 4.170 -0.001 0.000 0.290 38 I C -0.330 175.736 176.117 -0.086 0.000 1.016 38 I CA -0.645 60.635 61.300 -0.033 0.000 1.348 38 I CB 0.369 38.399 38.000 0.049 0.000 1.417 38 I HN -0.136 nan 8.210 nan 0.000 0.521 39 D N 4.540 124.930 120.400 -0.016 0.000 2.551 39 D HA 0.284 4.923 4.640 -0.001 0.000 0.223 39 D C -0.929 175.393 176.300 0.036 0.000 1.144 39 D CA 0.233 54.235 54.000 0.003 0.000 1.025 39 D CB 0.008 40.864 40.800 0.093 0.000 1.085 39 D HN 0.675 nan 8.370 nan 0.000 0.506 40 S N 1.273 116.900 115.700 -0.122 0.000 2.596 40 S HA 0.441 4.911 4.470 -0.001 0.000 0.270 40 S C -1.234 173.325 174.600 -0.068 0.000 1.155 40 S CA -0.763 57.467 58.200 0.049 0.000 0.827 40 S CB 0.922 64.270 63.200 0.247 0.000 1.130 40 S HN 0.198 nan 8.310 nan 0.000 0.467 41 Y N 0.351 120.760 120.300 0.183 0.000 2.393 41 Y HA 0.631 5.180 4.550 -0.001 0.000 0.341 41 Y C -0.841 175.187 175.900 0.215 0.000 0.988 41 Y CA -0.644 57.599 58.100 0.237 0.000 1.078 41 Y CB 1.229 39.805 38.460 0.194 0.000 1.203 41 Y HN 0.585 nan 8.280 nan 0.000 0.453 42 F N 3.889 124.012 119.950 0.289 0.000 2.444 42 F HA 0.544 5.070 4.527 -0.001 0.000 0.342 42 F C -0.531 175.410 175.800 0.235 0.000 1.121 42 F CA -0.694 57.453 58.000 0.246 0.000 0.997 42 F CB 1.089 40.177 39.000 0.147 0.000 1.130 42 F HN 0.207 nan 8.300 nan 0.000 0.454 43 I N 2.532 123.261 120.570 0.266 0.000 2.355 43 I HA 0.164 4.333 4.170 -0.001 0.000 0.288 43 I C 0.754 176.947 176.117 0.127 0.000 0.999 43 I CA 0.178 61.583 61.300 0.175 0.000 1.163 43 I CB 1.888 39.938 38.000 0.083 0.000 1.316 43 I HN 0.633 nan 8.210 nan 0.000 0.454 44 S N 5.465 121.249 115.700 0.139 0.000 2.456 44 S HA 0.247 4.716 4.470 -0.001 0.000 0.224 44 S C 1.057 175.691 174.600 0.057 0.000 1.035 44 S CA 0.296 58.557 58.200 0.102 0.000 0.940 44 S CB 0.212 63.504 63.200 0.153 0.000 0.799 44 S HN 0.496 nan 8.310 nan 0.000 0.508 45 R N 0.586 121.132 120.500 0.077 0.000 2.340 45 R HA 0.209 4.548 4.340 -0.001 0.000 0.300 45 R C 0.637 176.984 176.300 0.077 0.000 1.069 45 R CA -0.196 55.963 56.100 0.098 0.000 0.984 45 R CB 0.397 30.769 30.300 0.121 0.000 1.003 45 R HN 0.395 nan 8.270 nan 0.000 0.459 46 Y N 2.836 123.112 120.300 -0.040 0.000 2.062 46 Y HA -0.376 4.173 4.550 -0.001 0.000 0.276 46 Y C 1.501 177.288 175.900 -0.188 0.000 1.189 46 Y CA 2.306 60.319 58.100 -0.145 0.000 1.130 46 Y CB -0.087 38.222 38.460 -0.251 0.000 0.959 46 Y HN 0.722 nan 8.280 nan 0.000 0.499 47 H N -0.629 118.580 119.070 0.231 0.000 2.363 47 H HA -0.130 4.426 4.556 -0.001 0.000 0.301 47 H C 2.022 177.364 175.328 0.022 0.000 1.074 47 H CA 1.424 57.552 56.048 0.134 0.000 1.354 47 H CB -0.228 29.630 29.762 0.160 0.000 1.397 47 H HN 0.374 nan 8.280 nan 0.000 0.516 48 D N 0.360 120.829 120.400 0.115 0.000 2.116 48 D HA -0.165 4.475 4.640 -0.001 0.000 0.193 48 D C 2.298 178.573 176.300 -0.042 0.000 0.998 48 D CA 1.305 55.326 54.000 0.035 0.000 0.836 48 D CB -0.376 40.441 40.800 0.029 0.000 0.951 48 D HN 0.158 nan 8.370 nan 0.000 0.449 49 V N 1.116 120.968 119.914 -0.103 0.000 2.220 49 V HA -0.270 3.850 4.120 -0.001 0.000 0.246 49 V C 2.665 178.632 176.094 -0.212 0.000 1.049 49 V CA 2.037 64.231 62.300 -0.176 0.000 1.003 49 V CB -0.556 31.147 31.823 -0.200 0.000 0.634 49 V HN 0.133 nan 8.190 nan 0.000 0.444 50 R N -1.192 119.134 120.500 -0.290 0.000 2.133 50 R HA -0.272 4.067 4.340 -0.001 0.000 0.247 50 R C 2.310 178.571 176.300 -0.065 0.000 1.151 50 R CA 2.324 58.281 56.100 -0.239 0.000 0.971 50 R CB -0.548 29.533 30.300 -0.366 0.000 0.866 50 R HN 0.628 nan 8.270 nan 0.000 0.447 51 Y N 0.788 121.021 120.300 -0.111 0.000 2.145 51 Y HA -0.164 4.386 4.550 -0.001 0.000 0.286 51 Y C 1.908 177.760 175.900 -0.080 0.000 1.145 51 Y CA 1.862 59.943 58.100 -0.031 0.000 1.148 51 Y CB -0.227 38.189 38.460 -0.072 0.000 0.981 51 Y HN 0.018 nan 8.280 nan 0.000 0.507 52 I N -0.301 120.068 120.570 -0.335 0.000 2.127 52 I HA -0.370 3.800 4.170 -0.001 0.000 0.241 52 I C 2.391 178.262 176.117 -0.410 0.000 1.075 52 I CA 1.515 62.352 61.300 -0.771 0.000 1.334 52 I CB -0.588 36.922 38.000 -0.816 0.000 1.040 52 I HN 0.232 nan 8.210 nan 0.000 0.405 53 L N -0.034 121.035 121.223 -0.257 0.000 2.129 53 L HA -0.277 4.062 4.340 -0.001 0.000 0.212 53 L C 2.289 179.084 176.870 -0.125 0.000 1.087 53 L CA 1.512 56.257 54.840 -0.157 0.000 0.757 53 L CB -0.543 41.441 42.059 -0.125 0.000 0.896 53 L HN 0.419 nan 8.230 nan 0.000 0.434 54 Q N -1.455 118.255 119.800 -0.150 0.000 2.360 54 Q HA -0.013 4.326 4.340 -0.001 0.000 0.202 54 Q C -0.055 175.716 176.000 -0.381 0.000 0.915 54 Q CA 0.266 55.942 55.803 -0.211 0.000 0.943 54 Q CB 0.374 28.984 28.738 -0.213 0.000 1.064 54 Q HN 0.553 nan 8.270 nan 0.000 0.511 55 H N 0.022 118.972 119.070 -0.199 0.000 2.355 55 H HA 0.122 4.678 4.556 -0.001 0.000 0.232 55 H C -1.720 173.619 175.328 0.018 0.000 1.422 55 H CA -1.789 54.192 56.048 -0.113 0.000 1.261 55 H CB 0.715 30.360 29.762 -0.195 0.000 1.595 55 H HN 0.096 nan 8.280 nan 0.000 0.529 56 P HA -0.142 nan 4.420 nan 0.000 0.226 56 P C 0.404 177.715 177.300 0.018 0.000 1.146 56 P CA 1.009 64.104 63.100 -0.007 0.000 0.773 56 P CB 0.712 32.372 31.700 -0.066 0.000 0.772 57 D N -0.191 120.234 120.400 0.041 0.000 2.120 57 D HA -0.001 4.638 4.640 -0.001 0.000 0.202 57 D C 2.016 178.304 176.300 -0.019 0.000 0.972 57 D CA 0.913 54.922 54.000 0.016 0.000 0.837 57 D CB -0.537 40.280 40.800 0.029 0.000 0.989 57 D HN 0.209 nan 8.370 nan 0.000 0.469 58 I N -0.912 119.656 120.570 -0.004 0.000 2.584 58 I HA -0.056 4.114 4.170 -0.001 0.000 0.255 58 I C 0.039 175.873 176.117 -0.472 0.000 1.145 58 I CA 0.519 61.687 61.300 -0.221 0.000 1.462 58 I CB 0.236 38.112 38.000 -0.207 0.000 1.102 58 I HN -0.181 nan 8.210 nan 0.000 0.433 59 F N 1.225 121.147 119.950 -0.047 0.000 2.434 59 F HA 0.274 4.800 4.527 -0.001 0.000 0.367 59 F C 0.665 176.407 175.800 -0.097 0.000 1.093 59 F CA -1.140 56.817 58.000 -0.073 0.000 1.085 59 F CB 0.639 39.593 39.000 -0.077 0.000 1.322 59 F HN -0.189 nan 8.300 nan 0.000 0.452 60 T N -1.373 113.186 114.554 0.010 0.000 2.904 60 T HA 0.442 4.792 4.350 -0.001 0.000 0.290 60 T C 0.086 174.750 174.700 -0.060 0.000 1.018 60 T CA -0.579 61.499 62.100 -0.037 0.000 1.075 60 T CB 1.852 70.693 68.868 -0.046 0.000 0.986 60 T HN 0.459 nan 8.240 nan 0.000 0.523 61 T N 1.033 115.528 114.554 -0.098 0.000 2.888 61 T HA 0.514 4.864 4.350 -0.001 0.000 0.284 61 T C -0.839 173.833 174.700 -0.046 0.000 1.017 61 T CA -0.879 61.150 62.100 -0.118 0.000 1.022 61 T CB 0.712 69.406 68.868 -0.289 0.000 1.013 61 T HN 0.681 nan 8.240 nan 0.000 0.465 62 K N 2.290 122.681 120.400 -0.015 0.000 2.316 62 K HA 0.517 4.836 4.320 -0.001 0.000 0.251 62 K C 0.031 176.666 176.600 0.058 0.000 0.934 62 K CA -0.812 55.489 56.287 0.024 0.000 0.802 62 K CB 1.798 34.313 32.500 0.025 0.000 1.171 62 K HN 0.818 nan 8.250 nan 0.000 0.426 63 S N 1.773 117.514 115.700 0.069 0.000 2.600 63 S HA 0.132 4.601 4.470 -0.001 0.000 0.265 63 S C 1.399 176.050 174.600 0.083 0.000 1.325 63 S CA -0.548 57.703 58.200 0.086 0.000 1.002 63 S CB 0.426 63.670 63.200 0.074 0.000 0.921 63 S HN 0.571 nan 8.310 nan 0.000 0.554 64 L N 1.152 122.429 121.223 0.089 0.000 2.131 64 L HA -0.070 4.269 4.340 -0.001 0.000 0.210 64 L C 2.569 179.479 176.870 0.067 0.000 1.092 64 L CA 0.637 55.527 54.840 0.083 0.000 0.759 64 L CB -0.723 41.388 42.059 0.086 0.000 0.903 64 L HN 0.610 nan 8.230 nan 0.000 0.435 65 V N -0.113 119.834 119.914 0.054 0.000 2.469 65 V HA -0.276 3.843 4.120 -0.001 0.000 0.251 65 V C 2.217 178.335 176.094 0.041 0.000 1.064 65 V CA 1.772 64.094 62.300 0.036 0.000 1.066 65 V CB -0.415 31.422 31.823 0.022 0.000 0.667 65 V HN 0.476 nan 8.190 nan 0.000 0.461 66 E N -0.763 119.468 120.200 0.052 0.000 2.371 66 E HA -0.074 4.275 4.350 -0.001 0.000 0.194 66 E C 2.305 178.953 176.600 0.080 0.000 1.012 66 E CA 0.173 56.605 56.400 0.053 0.000 0.860 66 E CB 0.080 29.807 29.700 0.045 0.000 0.811 66 E HN 0.424 nan 8.360 nan 0.000 0.502 67 R N 0.174 120.738 120.500 0.106 0.000 2.161 67 R HA 0.100 4.439 4.340 -0.001 0.000 0.213 67 R C 1.810 178.285 176.300 0.293 0.000 1.055 67 R CA 0.897 57.095 56.100 0.164 0.000 0.996 67 R CB 0.105 30.478 30.300 0.122 0.000 0.901 67 R HN 0.017 nan 8.270 nan 0.000 0.456 68 A N 0.529 123.464 122.820 0.192 0.000 2.238 68 A HA -0.052 4.268 4.320 -0.001 0.000 0.208 68 A C 1.723 179.282 177.584 -0.041 0.000 1.177 68 A CA 0.395 52.500 52.037 0.113 0.000 0.804 68 A CB -0.348 18.681 19.000 0.049 0.000 0.823 68 A HN 0.324 nan 8.150 nan 0.000 0.482 69 E N 0.576 120.784 120.200 0.013 0.000 2.187 69 E HA -0.188 4.161 4.350 -0.001 0.000 0.199 69 E C -1.022 175.533 176.600 -0.074 0.000 1.004 69 E CA 1.430 57.815 56.400 -0.025 0.000 0.813 69 E CB -0.577 29.129 29.700 0.009 0.000 0.736 69 E HN 0.458 nan 8.360 nan 0.000 0.468 70 P HA -0.024 nan 4.420 nan 0.000 0.247 70 P C 0.162 177.287 177.300 -0.292 0.000 1.225 70 P CA 0.586 63.589 63.100 -0.162 0.000 0.768 70 P CB 0.328 31.959 31.700 -0.115 0.000 1.020 71 V N -3.761 115.958 119.914 -0.325 0.000 3.392 71 V HA 0.190 4.310 4.120 -0.001 0.000 0.294 71 V C 0.853 176.823 176.094 -0.205 0.000 1.561 71 V CA 0.278 62.382 62.300 -0.326 0.000 1.056 71 V CB 0.098 31.607 31.823 -0.524 0.000 0.882 71 V HN -0.009 nan 8.190 nan 0.000 0.440 72 M N -0.366 119.142 119.600 -0.153 0.000 2.318 72 M HA 0.527 5.006 4.480 -0.001 0.000 0.214 72 M C 0.968 177.212 176.300 -0.093 0.000 0.644 72 M CA -0.595 54.637 55.300 -0.113 0.000 1.869 72 M CB -0.480 32.071 32.600 -0.081 0.000 1.117 72 M HN 0.132 nan 8.290 nan 0.000 0.906 87 A N 1.230 124.061 122.820 0.018 0.000 2.236 87 A HA 0.385 4.705 4.320 -0.001 0.000 0.214 87 A C 0.397 177.994 177.584 0.021 0.000 1.287 87 A CA 0.151 52.200 52.037 0.021 0.000 0.909 87 A CB -1.011 18.008 19.000 0.031 0.000 0.839 87 A HN 0.475 nan 8.150 nan 0.000 0.486 88 K N 1.169 121.579 120.400 0.016 0.000 2.559 88 K HA 0.137 4.457 4.320 -0.001 0.000 0.236 88 K C 0.631 177.235 176.600 0.007 0.000 1.185 88 K CA -0.176 56.117 56.287 0.011 0.000 1.157 88 K CB 0.334 32.840 32.500 0.011 0.000 1.782 88 K HN 0.508 nan 8.250 nan 0.000 0.419 89 R N 0.936 121.439 120.500 0.005 0.000 2.702 89 R HA 0.160 4.499 4.340 -0.001 0.000 0.314 89 R C 1.020 177.321 176.300 0.001 0.000 1.152 89 R CA -0.313 55.790 56.100 0.004 0.000 1.097 89 R CB -0.057 30.244 30.300 0.001 0.000 1.343 89 R HN 0.222 nan 8.270 nan 0.000 0.575 90 R N 1.153 121.649 120.500 -0.006 0.000 2.113 90 R HA -0.132 4.207 4.340 -0.001 0.000 0.231 90 R C 0.819 177.114 176.300 -0.009 0.000 1.129 90 R CA 3.268 59.355 56.100 -0.022 0.000 0.915 90 R CB -0.004 30.269 30.300 -0.046 0.000 0.837 90 R HN 0.497 nan 8.270 nan 0.000 0.430 91 I N -4.662 115.911 120.570 0.004 0.000 4.930 91 I HA -0.323 3.846 4.170 -0.001 0.000 0.238 91 I C 0.967 177.101 176.117 0.027 0.000 0.516 91 I CA 0.625 61.930 61.300 0.008 0.000 1.558 91 I CB -0.741 37.261 38.000 0.005 0.000 3.359 91 I HN 0.194 nan 8.210 nan 0.000 1.060 92 V N 1.101 121.035 119.914 0.034 0.000 3.263 92 V HA 0.108 4.227 4.120 -0.001 0.000 0.248 92 V C 1.931 178.073 176.094 0.081 0.000 1.145 92 V CA 1.587 63.919 62.300 0.053 0.000 1.107 92 V CB 1.008 32.854 31.823 0.039 0.000 0.797 92 V HN 0.246 nan 8.190 nan 0.000 0.467 93 V N 0.716 120.667 119.914 0.061 0.000 2.358 93 V HA -0.162 3.957 4.120 -0.001 0.000 0.246 93 V C 2.637 178.794 176.094 0.105 0.000 1.047 93 V CA 2.546 64.902 62.300 0.093 0.000 1.035 93 V CB -0.918 30.930 31.823 0.042 0.000 0.658 93 V HN 0.518 nan 8.190 nan 0.000 0.452 94 R N 0.677 121.206 120.500 0.049 0.000 2.092 94 R HA -0.146 4.193 4.340 -0.001 0.000 0.231 94 R C 2.607 178.929 176.300 0.036 0.000 1.119 94 R CA 1.698 57.812 56.100 0.023 0.000 0.970 94 R CB -0.238 30.063 30.300 0.001 0.000 0.864 94 R HN 0.698 nan 8.270 nan 0.000 0.440 95 S N -0.153 115.585 115.700 0.063 0.000 2.402 95 S HA -0.151 4.319 4.470 -0.001 0.000 0.229 95 S C 1.779 176.445 174.600 0.110 0.000 1.021 95 S CA 0.761 59.003 58.200 0.071 0.000 0.974 95 S CB -0.546 62.698 63.200 0.072 0.000 0.800 95 S HN 0.403 nan 8.310 nan 0.000 0.484 96 F N 2.956 122.908 119.950 0.003 0.000 2.051 96 F HA 0.049 4.576 4.527 0.000 0.000 0.296 96 F C 1.934 177.741 175.800 0.012 0.000 1.122 96 F CA 1.058 59.060 58.000 0.003 0.000 1.201 96 F CB -0.723 38.265 39.000 -0.021 0.000 0.978 96 F HN 0.139 nan 8.300 nan 0.000 0.472 97 I N 0.606 120.996 120.570 -0.301 0.000 2.248 97 I HA -0.293 3.876 4.170 -0.001 0.000 0.248 97 I C 2.737 178.761 176.117 -0.156 0.000 1.107 97 I CA 1.424 62.505 61.300 -0.366 0.000 1.373 97 I CB -1.457 36.428 38.000 -0.192 0.000 1.055 97 I HN 0.382 nan 8.210 nan 0.000 0.418 98 G N 0.895 109.650 108.800 -0.076 0.000 2.480 98 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.216 98 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.216 98 G C 1.198 176.078 174.900 -0.033 0.000 1.200 98 G CA 1.244 46.326 45.100 -0.030 0.000 0.782 98 G HN 0.314 nan 8.290 nan 0.000 0.554 99 D N 0.794 121.179 120.400 -0.026 0.000 2.224 99 D HA 0.097 4.736 4.640 -0.001 0.000 0.205 99 D C 2.653 178.992 176.300 0.066 0.000 0.965 99 D CA 1.019 55.046 54.000 0.045 0.000 0.852 99 D CB -0.309 40.548 40.800 0.095 0.000 0.947 99 D HN 0.336 nan 8.370 nan 0.000 0.494 100 A N 0.902 123.621 122.820 -0.168 0.000 1.874 100 A HA -0.044 4.275 4.320 -0.001 0.000 0.214 100 A C 2.087 179.669 177.584 -0.003 0.000 1.189 100 A CA 0.731 52.645 52.037 -0.204 0.000 0.615 100 A CB -0.743 17.725 19.000 -0.887 0.000 0.830 100 A HN 0.239 nan 8.150 nan 0.000 0.443 101 L N 0.416 121.656 121.223 0.028 0.000 2.103 101 L HA -0.277 4.062 4.340 -0.001 0.000 0.215 101 L C 1.712 178.543 176.870 -0.066 0.000 1.080 101 L CA 3.019 57.893 54.840 0.057 0.000 0.764 101 L CB -0.711 41.381 42.059 0.055 0.000 0.890 101 L HN 0.419 nan 8.230 nan 0.000 0.435 102 D N -1.445 118.903 120.400 -0.086 0.000 2.103 102 D HA -0.162 4.477 4.640 -0.001 0.000 0.199 102 D C 1.969 178.151 176.300 -0.197 0.000 0.978 102 D CA 1.606 55.493 54.000 -0.188 0.000 0.829 102 D CB -0.085 40.540 40.800 -0.292 0.000 0.981 102 D HN 0.661 nan 8.370 nan 0.000 0.464 103 H N -1.131 117.930 119.070 -0.016 0.000 2.548 103 H HA 0.227 4.782 4.556 -0.000 0.000 0.268 103 H C 1.475 176.811 175.328 0.013 0.000 0.975 103 H CA 0.386 56.436 56.048 0.003 0.000 1.195 103 H CB 0.345 30.117 29.762 0.018 0.000 1.397 103 H HN 0.122 nan 8.280 nan 0.000 0.572 104 L N -0.664 120.622 121.223 0.104 0.000 2.554 104 L HA 0.055 4.394 4.340 -0.001 0.000 0.225 104 L C 1.829 178.713 176.870 0.023 0.000 1.104 104 L CA 0.099 54.989 54.840 0.083 0.000 0.866 104 L CB 0.241 42.378 42.059 0.130 0.000 1.047 104 L HN 0.135 nan 8.230 nan 0.000 0.468 105 S N 0.682 116.369 115.700 -0.021 0.000 2.399 105 S HA -0.077 4.392 4.470 -0.001 0.000 0.231 105 S C -0.611 173.987 174.600 -0.004 0.000 1.022 105 S CA 1.090 59.265 58.200 -0.042 0.000 0.983 105 S CB -0.892 62.263 63.200 -0.075 0.000 0.803 105 S HN 0.301 nan 8.310 nan 0.000 0.480 106 P HA 0.000 nan 4.420 nan 0.000 0.218 106 P C 1.161 178.485 177.300 0.039 0.000 1.149 106 P CA 0.839 63.954 63.100 0.025 0.000 0.817 106 P CB -0.010 31.709 31.700 0.033 0.000 0.785 107 L N -1.882 119.369 121.223 0.045 0.000 2.202 107 L HA -0.008 4.331 4.340 -0.001 0.000 0.205 107 L C 2.301 179.210 176.870 0.065 0.000 1.083 107 L CA 0.745 55.617 54.840 0.053 0.000 0.790 107 L CB -0.571 41.521 42.059 0.054 0.000 0.942 107 L HN -0.116 nan 8.230 nan 0.000 0.452 108 I N -0.055 120.552 120.570 0.061 0.000 2.163 108 I HA -0.331 3.839 4.170 -0.001 0.000 0.243 108 I C 2.703 178.945 176.117 0.209 0.000 1.085 108 I CA 1.329 62.697 61.300 0.114 0.000 1.347 108 I CB -0.375 37.668 38.000 0.072 0.000 1.044 108 I HN 0.242 nan 8.210 nan 0.000 0.408 109 K N 0.952 121.423 120.400 0.119 0.000 2.020 109 K HA -0.284 4.036 4.320 -0.001 0.000 0.212 109 K C 2.161 178.824 176.600 0.105 0.000 1.050 109 K CA 2.038 58.381 56.287 0.094 0.000 0.929 109 K CB -0.144 32.383 32.500 0.045 0.000 0.714 109 K HN 0.414 nan 8.250 nan 0.000 0.443 110 Q N -0.008 119.846 119.800 0.090 0.000 2.084 110 Q HA -0.145 4.194 4.340 -0.001 0.000 0.202 110 Q C 2.000 178.068 176.000 0.114 0.000 0.978 110 Q CA 1.364 57.217 55.803 0.082 0.000 0.844 110 Q CB -0.184 28.590 28.738 0.060 0.000 0.898 110 Q HN 0.323 nan 8.270 nan 0.000 0.426 111 N N 0.947 119.732 118.700 0.142 0.000 2.037 111 N HA -0.218 4.521 4.740 -0.001 0.000 0.196 111 N C 1.695 177.375 175.510 0.283 0.000 1.034 111 N CA 1.671 54.828 53.050 0.178 0.000 0.861 111 N CB -0.629 37.952 38.487 0.157 0.000 1.039 111 N HN 0.299 nan 8.380 nan 0.000 0.427 112 A N 1.251 124.286 122.820 0.359 0.000 1.859 112 A HA -0.226 4.093 4.320 -0.001 0.000 0.217 112 A C 2.132 179.866 177.584 0.251 0.000 1.198 112 A CA 2.036 54.261 52.037 0.313 0.000 0.629 112 A CB -0.840 18.245 19.000 0.142 0.000 0.830 112 A HN 0.465 nan 8.150 nan 0.000 0.446 113 E N -0.398 119.886 120.200 0.140 0.000 2.077 113 E HA -0.174 4.175 4.350 -0.001 0.000 0.193 113 E C 1.846 178.509 176.600 0.104 0.000 0.989 113 E CA 1.120 57.571 56.400 0.085 0.000 0.800 113 E CB -0.225 29.506 29.700 0.052 0.000 0.746 113 E HN 0.543 nan 8.360 nan 0.000 0.452 114 N N 0.606 119.373 118.700 0.113 0.000 2.244 114 N HA -0.089 4.650 4.740 -0.001 0.000 0.183 114 N C 1.810 177.395 175.510 0.124 0.000 1.016 114 N CA 0.769 53.873 53.050 0.090 0.000 0.866 114 N CB -0.021 38.503 38.487 0.062 0.000 0.980 114 N HN 0.170 nan 8.380 nan 0.000 0.430 115 L N 0.190 121.540 121.223 0.212 0.000 2.240 115 L HA 0.036 4.375 4.340 -0.001 0.000 0.211 115 L C 1.802 178.929 176.870 0.428 0.000 1.106 115 L CA 0.427 55.446 54.840 0.298 0.000 0.793 115 L CB -0.057 42.188 42.059 0.311 0.000 0.927 115 L HN 0.070 nan 8.230 nan 0.000 0.446 116 L N -1.061 120.363 121.223 0.334 0.000 2.509 116 L HA 0.057 4.396 4.340 -0.001 0.000 0.222 116 L C 2.626 179.609 176.870 0.188 0.000 1.123 116 L CA 0.304 55.285 54.840 0.235 0.000 0.856 116 L CB -0.371 41.667 42.059 -0.035 0.000 0.985 116 L HN 0.155 nan 8.230 nan 0.000 0.456 117 A N 1.144 124.030 122.820 0.110 0.000 1.902 117 A HA -0.095 4.224 4.320 -0.001 0.000 0.217 117 A C -0.035 177.536 177.584 -0.022 0.000 1.181 117 A CA 1.430 53.490 52.037 0.040 0.000 0.623 117 A CB -1.625 17.390 19.000 0.025 0.000 0.818 117 A HN 0.289 nan 8.150 nan 0.000 0.443 118 P HA -0.085 nan 4.420 nan 0.000 0.221 118 P C 0.529 177.648 177.300 -0.302 0.000 1.150 118 P CA 0.931 63.846 63.100 -0.309 0.000 0.800 118 P CB -0.183 31.177 31.700 -0.568 0.000 0.787 119 Y N -1.215 119.140 120.300 0.091 0.000 2.523 119 Y HA 0.115 4.664 4.550 -0.001 0.000 0.279 119 Y C 2.130 178.131 175.900 0.168 0.000 1.139 119 Y CA 0.028 58.202 58.100 0.124 0.000 1.296 119 Y CB -0.715 37.842 38.460 0.161 0.000 1.045 119 Y HN -0.158 nan 8.280 nan 0.000 0.538 120 L N -0.253 121.119 121.223 0.248 0.000 2.156 120 L HA -0.147 4.192 4.340 -0.001 0.000 0.208 120 L C 2.159 179.107 176.870 0.131 0.000 1.095 120 L CA 1.264 56.258 54.840 0.256 0.000 0.770 120 L CB -0.371 41.786 42.059 0.163 0.000 0.914 120 L HN 0.275 nan 8.230 nan 0.000 0.439 121 E N 0.496 120.733 120.200 0.063 0.000 2.051 121 E HA -0.222 4.128 4.350 -0.001 0.000 0.192 121 E C 2.341 178.926 176.600 -0.025 0.000 0.991 121 E CA 1.244 57.653 56.400 0.014 0.000 0.799 121 E CB 0.038 29.740 29.700 0.003 0.000 0.748 121 E HN 0.428 nan 8.360 nan 0.000 0.449 122 R N -0.722 119.763 120.500 -0.024 0.000 2.096 122 R HA -0.065 4.274 4.340 -0.001 0.000 0.235 122 R C 1.689 177.856 176.300 -0.222 0.000 1.127 122 R CA 0.893 56.949 56.100 -0.073 0.000 0.968 122 R CB -0.262 30.035 30.300 -0.006 0.000 0.861 122 R HN 0.309 nan 8.270 nan 0.000 0.440 123 G N 0.824 109.382 108.800 -0.404 0.000 2.160 123 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.251 123 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.251 123 G C -0.320 173.743 174.900 -1.395 0.000 1.008 123 G CA 0.484 44.941 45.100 -1.072 0.000 0.724 123 G HN 0.316 nan 8.290 nan 0.000 0.514 124 K N -0.651 119.323 120.400 -0.709 0.000 2.469 124 K HA 0.750 5.070 4.320 -0.001 0.000 0.254 124 K C -0.844 175.787 176.600 0.052 0.000 0.939 124 K CA -0.436 55.687 56.287 -0.272 0.000 0.812 124 K CB 2.447 34.861 32.500 -0.143 0.000 1.301 124 K HN 0.320 nan 8.250 nan 0.000 0.433 125 S N 1.008 116.768 115.700 0.101 0.000 2.556 125 S HA 0.119 4.588 4.470 -0.001 0.000 0.280 125 S C -2.274 172.286 174.600 -0.066 0.000 1.141 125 S CA -0.777 57.414 58.200 -0.015 0.000 0.883 125 S CB 1.343 64.572 63.200 0.048 0.000 1.103 125 S HN 0.647 nan 8.310 nan 0.000 0.453 126 D N 4.244 124.564 120.400 -0.135 0.000 2.454 126 D HA 0.298 4.937 4.640 -0.001 0.000 0.225 126 D C 1.239 177.508 176.300 -0.052 0.000 1.081 126 D CA -0.414 53.545 54.000 -0.068 0.000 0.864 126 D CB 0.710 41.497 40.800 -0.021 0.000 1.040 126 D HN 0.593 nan 8.370 nan 0.000 0.517 127 L N 2.949 124.154 121.223 -0.029 0.000 2.191 127 L HA -0.145 4.195 4.340 -0.001 0.000 0.212 127 L C 2.307 179.250 176.870 0.121 0.000 1.103 127 L CA 0.552 55.422 54.840 0.050 0.000 0.769 127 L CB -0.048 42.020 42.059 0.016 0.000 0.908 127 L HN 0.318 nan 8.230 nan 0.000 0.438 128 V N -0.024 119.939 119.914 0.081 0.000 2.255 128 V HA -0.207 3.912 4.120 -0.001 0.000 0.243 128 V C 2.033 178.173 176.094 0.076 0.000 1.038 128 V CA 1.878 64.231 62.300 0.087 0.000 1.008 128 V CB -0.391 31.477 31.823 0.075 0.000 0.645 128 V HN 0.512 nan 8.190 nan 0.000 0.449 129 N N -0.257 118.478 118.700 0.058 0.000 2.402 129 N HA -0.059 4.680 4.740 -0.001 0.000 0.174 129 N C 1.286 176.831 175.510 0.058 0.000 1.027 129 N CA 1.041 54.124 53.050 0.056 0.000 0.891 129 N CB -0.063 38.455 38.487 0.051 0.000 1.016 129 N HN 0.442 nan 8.380 nan 0.000 0.439 130 D N -0.516 119.892 120.400 0.013 0.000 2.271 130 D HA 0.035 4.674 4.640 -0.001 0.000 0.206 130 D C 1.087 177.450 176.300 0.104 0.000 0.967 130 D CA 0.438 54.424 54.000 -0.024 0.000 0.867 130 D CB 0.156 40.667 40.800 -0.482 0.000 0.960 130 D HN 0.186 nan 8.370 nan 0.000 0.509 131 F N -0.207 119.710 119.950 -0.056 0.000 2.577 131 F HA 0.325 4.851 4.527 -0.002 0.000 0.282 131 F C 2.021 177.864 175.800 0.072 0.000 0.957 131 F CA 0.640 58.638 58.000 -0.003 0.000 1.168 131 F CB -0.025 38.919 39.000 -0.094 0.000 0.958 131 F HN -0.089 nan 8.300 nan 0.000 0.702 132 G N 1.304 110.110 108.800 0.011 0.000 2.414 132 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.215 132 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.215 132 G C 1.549 176.446 174.900 -0.004 0.000 1.188 132 G CA 0.841 45.938 45.100 -0.006 0.000 0.783 132 G HN 0.303 nan 8.290 nan 0.000 0.537 133 K N 0.012 120.422 120.400 0.017 0.000 2.155 133 K HA -0.013 4.306 4.320 -0.001 0.000 0.203 133 K C 2.703 179.291 176.600 -0.019 0.000 1.052 133 K CA 1.400 57.695 56.287 0.013 0.000 0.948 133 K CB -0.273 32.250 32.500 0.038 0.000 0.728 133 K HN 0.197 nan 8.250 nan 0.000 0.448 134 T N 1.396 115.940 114.554 -0.017 0.000 2.777 134 T HA -0.140 4.210 4.350 -0.001 0.000 0.266 134 T C 1.481 176.124 174.700 -0.095 0.000 1.040 134 T CA 1.100 63.192 62.100 -0.014 0.000 1.141 134 T CB -0.298 68.582 68.868 0.021 0.000 0.868 134 T HN 0.225 nan 8.240 nan 0.000 0.444 135 F N 2.457 122.206 119.950 -0.334 0.000 2.146 135 F HA 0.086 4.612 4.527 -0.002 0.000 0.298 135 F C 2.395 178.081 175.800 -0.192 0.000 1.096 135 F CA 0.840 58.615 58.000 -0.376 0.000 1.275 135 F CB -0.791 37.773 39.000 -0.726 0.000 1.008 135 F HN 0.134 nan 8.300 nan 0.000 0.480 136 A N 0.641 123.301 122.820 -0.267 0.000 1.849 136 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 136 A C 2.331 179.751 177.584 -0.274 0.000 1.202 136 A CA 2.635 54.507 52.037 -0.275 0.000 0.629 136 A CB -1.538 17.419 19.000 -0.073 0.000 0.834 136 A HN 0.294 nan 8.150 nan 0.000 0.447 137 V N -0.484 119.315 119.914 -0.191 0.000 2.250 137 V HA -0.429 3.690 4.120 -0.001 0.000 0.253 137 V C 2.727 178.737 176.094 -0.139 0.000 1.065 137 V CA 2.369 64.580 62.300 -0.148 0.000 1.039 137 V CB -1.407 30.361 31.823 -0.091 0.000 0.647 137 V HN 0.737 nan 8.190 nan 0.000 0.446 138 C N -0.780 118.416 119.300 -0.174 0.000 2.413 138 C HA -0.137 4.322 4.460 -0.001 0.000 0.276 138 C C 2.756 177.641 174.990 -0.175 0.000 1.248 138 C CA 1.086 60.008 59.018 -0.160 0.000 1.742 138 C CB -0.981 26.651 27.740 -0.179 0.000 2.017 138 C HN 0.477 nan 8.230 nan 0.000 0.481 139 V N 0.499 120.221 119.914 -0.319 0.000 2.287 139 V HA -0.242 3.877 4.120 -0.001 0.000 0.248 139 V C 2.497 178.557 176.094 -0.057 0.000 1.053 139 V CA 2.619 64.784 62.300 -0.225 0.000 1.027 139 V CB -1.179 30.417 31.823 -0.379 0.000 0.646 139 V HN 0.608 nan 8.190 nan 0.000 0.447 140 T N -0.030 114.476 114.554 -0.079 0.000 2.708 140 T HA -0.216 4.133 4.350 -0.001 0.000 0.266 140 T C 1.891 176.592 174.700 0.002 0.000 1.037 140 T CA 1.933 64.014 62.100 -0.032 0.000 1.146 140 T CB -0.300 68.540 68.868 -0.048 0.000 0.865 140 T HN 0.336 nan 8.240 nan 0.000 0.435 141 M N 0.988 120.584 119.600 -0.007 0.000 2.080 141 M HA -0.126 4.354 4.480 -0.001 0.000 0.260 141 M C 2.180 178.509 176.300 0.048 0.000 1.068 141 M CA 1.470 56.788 55.300 0.030 0.000 1.109 141 M CB -0.588 32.028 32.600 0.026 0.000 1.342 141 M HN 0.093 nan 8.290 nan 0.000 0.405 142 D N 0.502 120.923 120.400 0.035 0.000 2.126 142 D HA -0.221 4.418 4.640 -0.001 0.000 0.190 142 D C 1.858 178.224 176.300 0.110 0.000 1.001 142 D CA 1.534 55.572 54.000 0.064 0.000 0.841 142 D CB -0.286 40.546 40.800 0.053 0.000 0.949 142 D HN 0.317 nan 8.370 nan 0.000 0.446 143 M N -0.193 119.479 119.600 0.120 0.000 2.144 143 M HA -0.151 4.329 4.480 -0.001 0.000 0.260 143 M C 1.664 178.086 176.300 0.203 0.000 1.067 143 M CA 1.289 56.704 55.300 0.191 0.000 1.095 143 M CB 0.095 32.740 32.600 0.075 0.000 1.365 143 M HN -0.019 nan 8.290 nan 0.000 0.406 144 L N -0.913 120.368 121.223 0.096 0.000 2.592 144 L HA 0.211 4.551 4.340 -0.001 0.000 0.227 144 L C 1.260 178.150 176.870 0.034 0.000 1.127 144 L CA 0.313 55.177 54.840 0.039 0.000 0.884 144 L CB -0.407 41.676 42.059 0.040 0.000 1.065 144 L HN 0.641 nan 8.230 nan 0.000 0.457 145 G N 0.782 109.619 108.800 0.061 0.000 2.168 145 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.257 145 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.257 145 G C 0.328 175.260 174.900 0.054 0.000 0.997 145 G CA 0.167 45.297 45.100 0.050 0.000 0.708 145 G HN 0.266 nan 8.290 nan 0.000 0.520 146 L N -0.125 121.147 121.223 0.081 0.000 2.456 146 L HA 0.389 4.728 4.340 -0.001 0.000 0.257 146 L C 0.594 177.537 176.870 0.121 0.000 1.162 146 L CA -0.767 54.150 54.840 0.128 0.000 0.808 146 L CB 0.471 42.646 42.059 0.194 0.000 1.136 146 L HN 0.059 nan 8.230 nan 0.000 0.466 147 D N 0.692 121.190 120.400 0.163 0.000 2.325 147 D HA 0.059 4.699 4.640 -0.001 0.000 0.251 147 D C 0.650 177.018 176.300 0.114 0.000 1.196 147 D CA 0.020 54.096 54.000 0.127 0.000 0.866 147 D CB 1.135 42.017 40.800 0.137 0.000 1.101 147 D HN 0.334 nan 8.370 nan 0.000 0.476 148 K N 2.741 123.191 120.400 0.083 0.000 2.362 148 K HA -0.064 4.256 4.320 -0.001 0.000 0.200 148 K C 1.792 178.476 176.600 0.141 0.000 1.046 148 K CA 0.400 56.735 56.287 0.079 0.000 0.952 148 K CB 0.326 32.842 32.500 0.028 0.000 0.753 148 K HN 0.356 nan 8.250 nan 0.000 0.466 149 R N 1.114 121.685 120.500 0.119 0.000 2.133 149 R HA -0.153 4.186 4.340 -0.001 0.000 0.247 149 R C 0.500 176.854 176.300 0.090 0.000 1.151 149 R CA 1.390 57.562 56.100 0.120 0.000 0.971 149 R CB -0.213 30.138 30.300 0.085 0.000 0.866 149 R HN 0.250 nan 8.270 nan 0.000 0.447 150 D N -0.378 120.048 120.400 0.045 0.000 2.587 150 D HA 0.018 4.657 4.640 -0.001 0.000 0.233 150 D C 0.956 177.146 176.300 -0.183 0.000 1.213 150 D CA 0.100 54.035 54.000 -0.108 0.000 0.827 150 D CB 0.010 40.727 40.800 -0.137 0.000 1.006 150 D HN 0.553 nan 8.370 nan 0.000 0.490 151 H N -0.226 118.768 119.070 -0.126 0.000 2.387 151 H HA -0.022 4.534 4.556 -0.001 0.000 0.299 151 H C 1.615 176.832 175.328 -0.184 0.000 1.099 151 H CA 1.166 57.133 56.048 -0.135 0.000 1.315 151 H CB 0.002 29.715 29.762 -0.082 0.000 1.380 151 H HN 0.083 nan 8.280 nan 0.000 0.513 152 E N 1.162 120.980 120.200 -0.636 0.000 2.023 152 E HA -0.164 4.185 4.350 -0.001 0.000 0.196 152 E C 2.160 178.478 176.600 -0.471 0.000 1.003 152 E CA 1.392 57.512 56.400 -0.467 0.000 0.809 152 E CB 0.030 29.466 29.700 -0.440 0.000 0.755 152 E HN 0.508 nan 8.360 nan 0.000 0.449 153 K N 0.304 120.318 120.400 -0.642 0.000 2.001 153 K HA -0.211 4.109 4.320 -0.001 0.000 0.214 153 K C 2.140 177.866 176.600 -1.457 0.000 1.050 153 K CA 1.498 57.055 56.287 -1.218 0.000 0.934 153 K CB -0.353 31.332 32.500 -1.357 0.000 0.718 153 K HN 0.039 nan 8.250 nan 0.000 0.443 154 I N 1.074 121.102 120.570 -0.903 0.000 2.315 154 I HA -0.288 3.881 4.170 -0.001 0.000 0.251 154 I C 2.561 178.574 176.117 -0.174 0.000 1.125 154 I CA 1.299 62.369 61.300 -0.384 0.000 1.392 154 I CB -0.530 37.340 38.000 -0.218 0.000 1.065 154 I HN 0.157 nan 8.210 nan 0.000 0.424 155 S N -0.468 115.104 115.700 -0.214 0.000 2.362 155 S HA -0.168 4.302 4.470 -0.001 0.000 0.221 155 S C 2.140 176.743 174.600 0.005 0.000 1.032 155 S CA 1.043 59.206 58.200 -0.061 0.000 0.973 155 S CB -0.264 62.903 63.200 -0.055 0.000 0.849 155 S HN 0.499 nan 8.310 nan 0.000 0.465 156 E N -0.486 119.643 120.200 -0.119 0.000 2.097 156 E HA -0.185 4.164 4.350 -0.001 0.000 0.196 156 E C 1.683 178.390 176.600 0.177 0.000 1.000 156 E CA 1.589 58.000 56.400 0.018 0.000 0.804 156 E CB -0.152 29.534 29.700 -0.023 0.000 0.740 156 E HN 0.657 nan 8.360 nan 0.000 0.454 157 W N 0.404 121.723 121.300 0.031 0.000 2.378 157 W HA -0.144 4.516 4.660 -0.001 0.000 0.313 157 W C 2.388 178.892 176.519 -0.024 0.000 1.197 157 W CA 0.896 58.203 57.345 -0.062 0.000 1.304 157 W CB -1.723 27.642 29.460 -0.158 0.000 1.148 157 W HN 0.363 nan 8.180 nan 0.000 0.494 158 H N 0.173 119.344 119.070 0.169 0.000 2.353 158 H HA -0.147 4.408 4.556 -0.001 0.000 0.298 158 H C 1.887 177.270 175.328 0.092 0.000 1.103 158 H CA 2.281 58.389 56.048 0.100 0.000 1.293 158 H CB -0.303 29.500 29.762 0.067 0.000 1.372 158 H HN -0.057 nan 8.280 nan 0.000 0.501 159 S N -0.514 115.280 115.700 0.156 0.000 2.382 159 S HA -0.079 4.390 4.470 -0.001 0.000 0.228 159 S C 2.283 176.916 174.600 0.056 0.000 1.027 159 S CA 0.861 59.131 58.200 0.117 0.000 0.991 159 S CB -0.457 62.859 63.200 0.193 0.000 0.823 159 S HN 0.715 nan 8.310 nan 0.000 0.469 160 G N 0.939 109.780 108.800 0.068 0.000 2.394 160 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.215 160 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.215 160 G C 1.442 176.326 174.900 -0.027 0.000 1.165 160 G CA 0.803 45.899 45.100 -0.007 0.000 0.784 160 G HN 0.415 nan 8.290 nan 0.000 0.535 161 V N 1.719 121.596 119.914 -0.061 0.000 2.261 161 V HA -0.121 3.999 4.120 -0.001 0.000 0.246 161 V C 3.333 179.410 176.094 -0.029 0.000 1.047 161 V CA 2.057 64.328 62.300 -0.049 0.000 1.015 161 V CB -0.974 30.803 31.823 -0.078 0.000 0.642 161 V HN 0.442 nan 8.190 nan 0.000 0.446 162 A N 0.145 122.868 122.820 -0.161 0.000 1.933 162 A HA -0.306 4.013 4.320 -0.001 0.000 0.218 162 A C 2.011 179.545 177.584 -0.083 0.000 1.175 162 A CA 2.096 54.030 52.037 -0.171 0.000 0.628 162 A CB -0.789 18.015 19.000 -0.326 0.000 0.814 162 A HN 0.632 nan 8.150 nan 0.000 0.444 163 D N -1.327 119.060 120.400 -0.022 0.000 2.158 163 D HA -0.224 4.416 4.640 -0.001 0.000 0.197 163 D C 1.563 177.880 176.300 0.028 0.000 0.995 163 D CA 1.711 55.726 54.000 0.025 0.000 0.846 163 D CB -0.244 40.610 40.800 0.090 0.000 0.941 163 D HN 0.434 nan 8.370 nan 0.000 0.456 164 F N 0.598 120.512 119.950 -0.061 0.000 2.084 164 F HA -0.047 4.479 4.527 -0.001 0.000 0.296 164 F C 1.942 177.686 175.800 -0.093 0.000 1.111 164 F CA 1.325 59.291 58.000 -0.056 0.000 1.224 164 F CB -0.392 38.579 39.000 -0.049 0.000 0.991 164 F HN -0.014 nan 8.300 nan 0.000 0.471 165 I N 0.517 120.947 120.570 -0.234 0.000 2.127 165 I HA -0.366 3.803 4.170 -0.001 0.000 0.241 165 I C 2.591 178.335 176.117 -0.622 0.000 1.075 165 I CA 2.025 63.071 61.300 -0.424 0.000 1.334 165 I CB -1.237 36.606 38.000 -0.262 0.000 1.040 165 I HN 0.322 nan 8.210 nan 0.000 0.405 166 T N -1.411 112.826 114.554 -0.529 0.000 2.635 166 T HA -0.152 4.198 4.350 -0.001 0.000 0.267 166 T C 1.233 175.794 174.700 -0.232 0.000 1.040 166 T CA 0.994 62.825 62.100 -0.448 0.000 1.156 166 T CB -0.981 67.785 68.868 -0.170 0.000 0.863 166 T HN 0.219 nan 8.240 nan 0.000 0.430 167 S N 1.464 117.038 115.700 -0.210 0.000 2.573 167 S HA 0.082 4.551 4.470 -0.001 0.000 0.297 167 S C 1.430 175.951 174.600 -0.132 0.000 1.280 167 S CA -0.517 57.600 58.200 -0.138 0.000 1.061 167 S CB 0.125 63.252 63.200 -0.123 0.000 0.812 167 S HN 0.228 nan 8.310 nan 0.000 0.500 168 I N 1.833 122.362 120.570 -0.068 0.000 2.133 168 I HA -0.060 4.109 4.170 -0.001 0.000 0.238 168 I C 1.381 177.462 176.117 -0.061 0.000 1.074 168 I CA 1.265 62.529 61.300 -0.060 0.000 1.342 168 I CB -1.284 36.684 38.000 -0.054 0.000 1.053 168 I HN 0.696 nan 8.210 nan 0.000 0.404 169 S N -0.117 115.559 115.700 -0.040 0.000 2.627 169 S HA 0.668 5.138 4.470 -0.001 0.000 0.283 169 S C -0.743 173.863 174.600 0.011 0.000 1.127 169 S CA -0.823 57.371 58.200 -0.010 0.000 0.863 169 S CB 3.078 66.274 63.200 -0.005 0.000 1.121 169 S HN 0.239 nan 8.310 nan 0.000 0.479 170 Q N 0.993 120.820 119.800 0.046 0.000 2.372 170 Q HA 0.547 4.886 4.340 -0.001 0.000 0.273 170 Q C -0.720 175.315 176.000 0.059 0.000 1.078 170 Q CA -0.807 55.037 55.803 0.068 0.000 0.806 170 Q CB 2.434 31.248 28.738 0.127 0.000 1.332 170 Q HN 0.951 nan 8.270 nan 0.000 0.435 171 S N 1.020 116.751 115.700 0.051 0.000 2.573 171 S HA 0.130 4.599 4.470 -0.001 0.000 0.277 171 S C -1.915 172.716 174.600 0.052 0.000 1.346 171 S CA -0.831 57.393 58.200 0.041 0.000 1.034 171 S CB 0.577 63.795 63.200 0.031 0.000 0.879 171 S HN 0.396 nan 8.310 nan 0.000 0.528 172 P HA -0.131 nan 4.420 nan 0.000 0.217 172 P C 1.386 178.715 177.300 0.048 0.000 1.148 172 P CA 1.420 64.546 63.100 0.042 0.000 0.828 172 P CB 0.061 31.778 31.700 0.027 0.000 0.783 173 E N -0.124 120.101 120.200 0.042 0.000 2.047 173 E HA -0.178 4.171 4.350 -0.001 0.000 0.191 173 E C 1.962 178.616 176.600 0.089 0.000 0.987 173 E CA 1.283 57.710 56.400 0.045 0.000 0.799 173 E CB -0.639 29.072 29.700 0.018 0.000 0.752 173 E HN 0.069 nan 8.360 nan 0.000 0.449 174 A N 1.285 124.163 122.820 0.096 0.000 1.972 174 A HA -0.187 4.132 4.320 -0.001 0.000 0.219 174 A C 2.222 179.912 177.584 0.177 0.000 1.169 174 A CA 1.580 53.707 52.037 0.150 0.000 0.635 174 A CB -0.559 18.514 19.000 0.122 0.000 0.810 174 A HN 0.263 nan 8.150 nan 0.000 0.446 175 R N -0.508 120.072 120.500 0.134 0.000 2.090 175 R HA 0.012 4.352 4.340 -0.001 0.000 0.228 175 R C 2.246 178.594 176.300 0.080 0.000 1.110 175 R CA 1.194 57.361 56.100 0.112 0.000 0.973 175 R CB -0.367 29.992 30.300 0.098 0.000 0.869 175 R HN 0.406 nan 8.270 nan 0.000 0.440 176 A N 0.524 123.399 122.820 0.091 0.000 1.978 176 A HA -0.226 4.093 4.320 -0.001 0.000 0.220 176 A C 2.051 179.738 177.584 0.172 0.000 1.170 176 A CA 1.590 53.684 52.037 0.095 0.000 0.636 176 A CB -0.892 18.151 19.000 0.072 0.000 0.810 176 A HN 0.599 nan 8.150 nan 0.000 0.448 177 H N -0.059 119.072 119.070 0.102 0.000 2.307 177 H HA -0.074 4.482 4.556 -0.001 0.000 0.303 177 H C 2.246 177.717 175.328 0.239 0.000 1.073 177 H CA 1.536 57.689 56.048 0.176 0.000 1.338 177 H CB 0.150 29.991 29.762 0.132 0.000 1.389 177 H HN 0.487 nan 8.280 nan 0.000 0.503 178 S N 1.279 116.961 115.700 -0.030 0.000 2.374 178 S HA -0.183 4.286 4.470 -0.001 0.000 0.227 178 S C 2.249 176.782 174.600 -0.113 0.000 1.037 178 S CA 1.308 59.445 58.200 -0.105 0.000 1.024 178 S CB -0.528 62.672 63.200 -0.001 0.000 0.861 178 S HN 0.345 nan 8.310 nan 0.000 0.456 179 L N 0.500 121.684 121.223 -0.064 0.000 2.012 179 L HA -0.096 4.244 4.340 -0.001 0.000 0.210 179 L C 2.121 178.967 176.870 -0.040 0.000 1.073 179 L CA 1.741 56.535 54.840 -0.077 0.000 0.748 179 L CB -0.493 41.541 42.059 -0.042 0.000 0.891 179 L HN 0.506 nan 8.230 nan 0.000 0.431 180 W N -0.245 120.976 121.300 -0.131 0.000 2.355 180 W HA -0.259 4.401 4.660 -0.001 0.000 0.309 180 W C 2.587 178.974 176.519 -0.219 0.000 1.206 180 W CA 2.011 59.283 57.345 -0.123 0.000 1.284 180 W CB -0.841 28.610 29.460 -0.015 0.000 1.145 180 W HN 0.251 nan 8.180 nan 0.000 0.502 181 C N 0.732 119.829 119.300 -0.339 0.000 2.376 181 C HA -0.301 4.158 4.460 -0.001 0.000 0.275 181 C C 3.143 177.748 174.990 -0.643 0.000 1.200 181 C CA 2.364 61.036 59.018 -0.577 0.000 1.756 181 C CB -1.597 26.010 27.740 -0.223 0.000 2.050 181 C HN 0.574 nan 8.230 nan 0.000 0.460 182 S N 0.530 115.996 115.700 -0.390 0.000 2.355 182 S HA -0.200 4.269 4.470 -0.001 0.000 0.222 182 S C 1.588 175.962 174.600 -0.376 0.000 1.031 182 S CA 1.502 59.510 58.200 -0.321 0.000 0.993 182 S CB -0.659 62.415 63.200 -0.210 0.000 0.859 182 S HN 0.716 nan 8.310 nan 0.000 0.453 183 E N 1.172 121.150 120.200 -0.370 0.000 2.095 183 E HA -0.265 4.084 4.350 -0.001 0.000 0.212 183 E C 2.432 178.709 176.600 -0.538 0.000 1.044 183 E CA 2.044 58.222 56.400 -0.370 0.000 0.857 183 E CB -0.173 29.340 29.700 -0.311 0.000 0.764 183 E HN 0.465 nan 8.360 nan 0.000 0.462 184 Q N -0.122 119.128 119.800 -0.916 0.000 2.050 184 Q HA -0.166 4.174 4.340 -0.001 0.000 0.202 184 Q C 2.576 177.904 176.000 -1.120 0.000 0.980 184 Q CA 1.177 56.230 55.803 -1.250 0.000 0.840 184 Q CB -0.423 26.997 28.738 -2.197 0.000 0.898 184 Q HN 0.396 nan 8.270 nan 0.000 0.424 185 L N 0.959 121.600 121.223 -0.970 0.000 1.997 185 L HA -0.257 4.082 4.340 -0.001 0.000 0.216 185 L C 2.431 179.189 176.870 -0.186 0.000 1.074 185 L CA 1.949 56.537 54.840 -0.420 0.000 0.763 185 L CB -0.584 41.354 42.059 -0.202 0.000 0.890 185 L HN 0.268 nan 8.230 nan 0.000 0.434 186 S N -2.114 113.457 115.700 -0.215 0.000 2.603 186 S HA -0.075 4.395 4.470 -0.001 0.000 0.220 186 S C 1.598 176.122 174.600 -0.126 0.000 0.967 186 S CA 0.227 58.349 58.200 -0.130 0.000 0.920 186 S CB 0.089 63.212 63.200 -0.127 0.000 0.773 186 S HN 0.460 nan 8.310 nan 0.000 0.529 187 Q N -0.970 118.729 119.800 -0.168 0.000 2.384 187 Q HA 0.253 4.592 4.340 -0.001 0.000 0.207 187 Q C 1.284 177.245 176.000 -0.064 0.000 0.904 187 Q CA 0.231 55.959 55.803 -0.124 0.000 0.933 187 Q CB -0.072 28.579 28.738 -0.146 0.000 1.077 187 Q HN 0.748 nan 8.270 nan 0.000 0.522 188 Y N 0.425 120.620 120.300 -0.176 0.000 2.206 188 Y HA -0.060 4.489 4.550 -0.001 0.000 0.292 188 Y C 1.530 177.412 175.900 -0.030 0.000 1.123 188 Y CA 1.246 59.310 58.100 -0.060 0.000 1.142 188 Y CB 0.173 38.647 38.460 0.023 0.000 1.006 188 Y HN -0.015 nan 8.280 nan 0.000 0.518 189 L N -0.808 120.436 121.223 0.036 0.000 2.179 189 L HA -0.152 4.188 4.340 -0.001 0.000 0.208 189 L C 2.363 179.177 176.870 -0.093 0.000 1.096 189 L CA 0.931 55.754 54.840 -0.028 0.000 0.779 189 L CB -0.457 41.636 42.059 0.057 0.000 0.922 189 L HN 0.320 nan 8.230 nan 0.000 0.443 190 M N 0.902 120.451 119.600 -0.085 0.000 2.065 190 M HA -0.104 4.376 4.480 -0.001 0.000 0.259 190 M C -0.713 175.531 176.300 -0.095 0.000 1.069 190 M CA 2.215 57.465 55.300 -0.083 0.000 1.110 190 M CB -1.236 31.318 32.600 -0.076 0.000 1.328 190 M HN -0.062 nan 8.290 nan 0.000 0.405 191 P HA -0.076 nan 4.420 nan 0.000 0.220 191 P C 1.689 178.919 177.300 -0.117 0.000 1.148 191 P CA 1.039 64.075 63.100 -0.107 0.000 0.803 191 P CB -0.198 31.434 31.700 -0.113 0.000 0.782 192 V N 0.059 119.882 119.914 -0.152 0.000 2.244 192 V HA -0.229 3.891 4.120 -0.001 0.000 0.244 192 V C 2.402 178.438 176.094 -0.097 0.000 1.042 192 V CA 1.592 63.810 62.300 -0.136 0.000 1.006 192 V CB -1.173 30.550 31.823 -0.167 0.000 0.641 192 V HN 0.017 nan 8.190 nan 0.000 0.446 193 I N -0.241 120.275 120.570 -0.089 0.000 2.236 193 I HA -0.302 3.867 4.170 -0.001 0.000 0.249 193 I C 2.610 178.684 176.117 -0.071 0.000 1.102 193 I CA 1.509 62.763 61.300 -0.076 0.000 1.365 193 I CB -0.392 37.567 38.000 -0.069 0.000 1.051 193 I HN 0.286 nan 8.210 nan 0.000 0.420 194 K N 0.196 120.554 120.400 -0.070 0.000 2.062 194 K HA -0.183 4.136 4.320 -0.001 0.000 0.205 194 K C 1.992 178.557 176.600 -0.059 0.000 1.051 194 K CA 1.156 57.406 56.287 -0.062 0.000 0.941 194 K CB -0.375 32.090 32.500 -0.059 0.000 0.719 194 K HN 0.201 nan 8.250 nan 0.000 0.440 195 E N 1.613 121.775 120.200 -0.064 0.000 2.058 195 E HA -0.173 4.176 4.350 -0.001 0.000 0.194 195 E C 1.816 178.384 176.600 -0.053 0.000 0.997 195 E CA 1.582 57.948 56.400 -0.057 0.000 0.801 195 E CB 0.003 29.664 29.700 -0.064 0.000 0.746 195 E HN 0.168 nan 8.360 nan 0.000 0.450 196 R N -0.774 119.690 120.500 -0.059 0.000 2.240 196 R HA 0.100 4.439 4.340 -0.001 0.000 0.203 196 R C 2.174 178.439 176.300 -0.059 0.000 1.011 196 R CA 0.699 56.765 56.100 -0.058 0.000 1.007 196 R CB -0.070 30.191 30.300 -0.065 0.000 0.911 196 R HN -0.001 nan 8.270 nan 0.000 0.468 197 R N 0.830 121.294 120.500 -0.060 0.000 2.241 197 R HA -0.098 4.241 4.340 -0.001 0.000 0.224 197 R C 1.588 177.855 176.300 -0.054 0.000 1.101 197 R CA 1.607 57.671 56.100 -0.060 0.000 0.995 197 R CB 0.039 30.303 30.300 -0.059 0.000 0.870 197 R HN 0.257 nan 8.270 nan 0.000 0.463 198 V N -4.799 115.086 119.914 -0.047 0.000 3.473 198 V HA 0.395 4.514 4.120 -0.001 0.000 0.253 198 V C 0.061 176.134 176.094 -0.034 0.000 1.340 198 V CA -0.126 62.150 62.300 -0.040 0.000 1.103 198 V CB 0.191 31.992 31.823 -0.036 0.000 0.881 198 V HN 0.086 nan 8.190 nan 0.000 0.451 199 N N 2.610 121.289 118.700 -0.035 0.000 2.904 199 N HA 0.468 5.207 4.740 -0.001 0.000 0.257 199 N C -2.913 172.578 175.510 -0.031 0.000 1.363 199 N CA -0.873 52.160 53.050 -0.029 0.000 0.856 199 N CB 1.314 39.785 38.487 -0.026 0.000 1.166 199 N HN 0.421 nan 8.380 nan 0.000 0.499 200 P HA 0.216 nan 4.420 nan 0.000 0.272 200 P C 0.626 177.910 177.300 -0.028 0.000 1.223 200 P CA -0.180 62.898 63.100 -0.037 0.000 0.784 200 P CB 1.165 32.843 31.700 -0.037 0.000 0.923 201 G N -0.294 108.488 108.800 -0.031 0.000 3.194 201 G HA2 0.318 4.277 3.960 -0.001 0.000 0.160 201 G HA3 0.318 4.277 3.960 -0.001 0.000 0.160 201 G C 0.374 175.265 174.900 -0.016 0.000 1.267 201 G CA -0.273 44.816 45.100 -0.020 0.000 0.962 201 G HN 0.387 nan 8.290 nan 0.000 0.612 202 S N 0.373 116.071 115.700 -0.002 0.000 2.559 202 S HA 0.160 4.629 4.470 -0.001 0.000 0.226 202 S C 0.394 175.033 174.600 0.064 0.000 1.030 202 S CA -0.127 58.086 58.200 0.022 0.000 0.956 202 S CB 0.085 63.292 63.200 0.013 0.000 0.900 202 S HN 0.739 nan 8.310 nan 0.000 0.510 203 D N 1.409 121.815 120.400 0.011 0.000 2.414 203 D HA 0.078 4.717 4.640 -0.001 0.000 0.251 203 D C 1.314 177.368 176.300 -0.409 0.000 1.252 203 D CA -0.574 53.405 54.000 -0.035 0.000 0.999 203 D CB 0.470 41.259 40.800 -0.018 0.000 1.093 203 D HN 0.017 nan 8.370 nan 0.000 0.515 204 L N -0.264 120.516 121.223 -0.738 0.000 2.093 204 L HA -0.033 4.306 4.340 -0.001 0.000 0.208 204 L C 2.145 178.722 176.870 -0.488 0.000 1.085 204 L CA 1.265 55.447 54.840 -1.096 0.000 0.755 204 L CB -0.570 40.928 42.059 -0.935 0.000 0.904 204 L HN 0.508 nan 8.230 nan 0.000 0.435 205 I N -1.213 119.186 120.570 -0.285 0.000 2.202 205 I HA -0.261 3.908 4.170 -0.001 0.000 0.242 205 I C 2.338 178.359 176.117 -0.161 0.000 1.091 205 I CA 1.327 62.522 61.300 -0.175 0.000 1.368 205 I CB -0.603 37.331 38.000 -0.110 0.000 1.058 205 I HN 0.185 nan 8.210 nan 0.000 0.410 206 S N 0.956 116.565 115.700 -0.152 0.000 2.382 206 S HA -0.128 4.342 4.470 -0.001 0.000 0.228 206 S C 2.032 176.556 174.600 -0.126 0.000 1.027 206 S CA 1.262 59.392 58.200 -0.116 0.000 0.991 206 S CB -0.321 62.828 63.200 -0.085 0.000 0.823 206 S HN 0.312 nan 8.310 nan 0.000 0.469 207 I N 1.185 121.644 120.570 -0.184 0.000 2.179 207 I HA -0.165 4.004 4.170 -0.001 0.000 0.242 207 I C 1.954 177.996 176.117 -0.125 0.000 1.088 207 I CA 1.150 62.358 61.300 -0.154 0.000 1.357 207 I CB -0.210 37.656 38.000 -0.222 0.000 1.051 207 I HN 0.233 nan 8.210 nan 0.000 0.409 208 L N -0.608 120.522 121.223 -0.155 0.000 2.275 208 L HA -0.226 4.114 4.340 -0.001 0.000 0.215 208 L C 2.576 179.389 176.870 -0.096 0.000 1.119 208 L CA 0.612 55.385 54.840 -0.111 0.000 0.790 208 L CB -0.502 41.490 42.059 -0.113 0.000 0.919 208 L HN 0.437 nan 8.230 nan 0.000 0.443 209 C N -0.316 118.923 119.300 -0.102 0.000 2.455 209 C HA -0.175 4.284 4.460 -0.001 0.000 0.281 209 C C 3.080 178.010 174.990 -0.101 0.000 1.237 209 C CA 1.747 60.709 59.018 -0.092 0.000 1.726 209 C CB -0.891 26.797 27.740 -0.087 0.000 2.068 209 C HN 0.650 nan 8.230 nan 0.000 0.466 210 T N -1.794 112.699 114.554 -0.101 0.000 2.894 210 T HA -0.037 4.312 4.350 -0.001 0.000 0.258 210 T C 1.112 175.711 174.700 -0.168 0.000 1.043 210 T CA 1.077 63.100 62.100 -0.129 0.000 1.141 210 T CB -0.425 68.391 68.868 -0.087 0.000 0.873 210 T HN 0.295 nan 8.240 nan 0.000 0.449 211 S N 2.182 117.838 115.700 -0.073 0.000 4.183 211 S HA 0.254 4.723 4.470 -0.001 0.000 0.195 211 S C 0.520 175.125 174.600 0.008 0.000 1.421 211 S CA -0.392 57.822 58.200 0.022 0.000 0.920 211 S CB -0.124 63.127 63.200 0.085 0.000 1.525 211 S HN 0.524 nan 8.310 nan 0.000 0.447 212 E N 0.445 120.590 120.200 -0.093 0.000 2.068 212 E HA 0.167 4.516 4.350 -0.001 0.000 0.201 212 E C 0.166 176.804 176.600 0.064 0.000 0.947 212 E CA 0.020 56.391 56.400 -0.049 0.000 0.909 212 E CB -0.070 29.565 29.700 -0.109 0.000 1.015 212 E HN 0.415 nan 8.360 nan 0.000 0.484 213 Y N -0.090 120.204 120.300 -0.010 0.000 2.760 213 Y HA -0.321 4.229 4.550 -0.001 0.000 0.484 213 Y C 0.237 176.134 175.900 -0.005 0.000 1.172 213 Y CA 1.635 59.731 58.100 -0.006 0.000 2.808 213 Y CB -0.722 37.736 38.460 -0.004 0.000 0.948 213 Y HN 0.163 nan 8.280 nan 0.000 0.551 214 E N 1.367 121.663 120.200 0.160 0.000 2.028 214 E HA 0.389 4.739 4.350 -0.001 0.000 0.275 214 E C 1.082 177.712 176.600 0.050 0.000 1.171 214 E CA 0.515 56.967 56.400 0.085 0.000 1.186 214 E CB -0.248 29.489 29.700 0.062 0.000 1.256 214 E HN 0.619 nan 8.360 nan 0.000 0.474 215 G N 2.699 111.524 108.800 0.042 0.000 2.379 215 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.297 215 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.297 215 G C 0.614 175.519 174.900 0.008 0.000 1.004 215 G CA 1.119 46.231 45.100 0.019 0.000 0.921 215 G HN 0.425 nan 8.290 nan 0.000 0.511 216 M N 0.108 119.711 119.600 0.004 0.000 2.206 216 M HA 0.622 5.101 4.480 -0.001 0.000 0.249 216 M C 2.111 178.397 176.300 -0.023 0.000 1.125 216 M CA 2.122 57.419 55.300 -0.006 0.000 1.166 216 M CB -0.609 31.991 32.600 0.000 0.000 1.266 216 M HN 1.866 nan 8.290 nan 0.000 0.445 217 A N 1.049 123.844 122.820 -0.041 0.000 2.687 217 A HA -0.168 4.152 4.320 -0.001 0.000 0.299 217 A C -0.080 177.477 177.584 -0.045 0.000 1.497 217 A CA 0.435 52.441 52.037 -0.051 0.000 0.751 217 A CB -2.888 16.087 19.000 -0.042 0.000 1.048 217 A HN 0.604 nan 8.150 nan 0.000 0.464 218 L N 0.405 121.600 121.223 -0.046 0.000 2.559 218 L HA 0.187 4.527 4.340 -0.001 0.000 0.282 218 L C 1.307 178.150 176.870 -0.044 0.000 1.232 218 L CA 0.717 55.532 54.840 -0.042 0.000 0.885 218 L CB 0.621 42.654 42.059 -0.044 0.000 1.131 218 L HN 0.646 nan 8.230 nan 0.000 0.498 219 S N 1.113 116.790 115.700 -0.038 0.000 2.600 219 S HA 0.015 4.484 4.470 -0.001 0.000 0.265 219 S C 1.026 175.601 174.600 -0.043 0.000 1.325 219 S CA -0.662 57.515 58.200 -0.038 0.000 1.002 219 S CB 0.749 63.930 63.200 -0.033 0.000 0.921 219 S HN 0.698 nan 8.310 nan 0.000 0.554 220 D N 2.061 122.435 120.400 -0.044 0.000 2.106 220 D HA -0.119 4.521 4.640 -0.001 0.000 0.191 220 D C 1.780 178.053 176.300 -0.045 0.000 0.997 220 D CA 1.539 55.511 54.000 -0.047 0.000 0.834 220 D CB -0.056 40.716 40.800 -0.047 0.000 0.956 220 D HN 0.555 nan 8.370 nan 0.000 0.448 221 K N 0.339 120.714 120.400 -0.040 0.000 2.057 221 K HA -0.131 4.189 4.320 -0.001 0.000 0.207 221 K C 1.706 178.285 176.600 -0.035 0.000 1.049 221 K CA 0.984 57.248 56.287 -0.038 0.000 0.931 221 K CB 0.009 32.488 32.500 -0.036 0.000 0.714 221 K HN 0.091 nan 8.250 nan 0.000 0.440 222 D N 1.111 121.492 120.400 -0.032 0.000 2.127 222 D HA -0.216 4.424 4.640 -0.001 0.000 0.190 222 D C 1.896 178.178 176.300 -0.031 0.000 1.000 222 D CA 1.295 55.279 54.000 -0.028 0.000 0.839 222 D CB -0.390 40.394 40.800 -0.028 0.000 0.955 222 D HN 0.208 nan 8.370 nan 0.000 0.446 223 I N 0.291 120.838 120.570 -0.040 0.000 2.208 223 I HA -0.263 3.907 4.170 -0.001 0.000 0.245 223 I C 2.489 178.581 176.117 -0.042 0.000 1.097 223 I CA 0.554 61.827 61.300 -0.047 0.000 1.363 223 I CB -0.220 37.745 38.000 -0.058 0.000 1.051 223 I HN 0.013 nan 8.210 nan 0.000 0.413 224 L N 1.258 122.458 121.223 -0.039 0.000 2.012 224 L HA -0.186 4.153 4.340 -0.001 0.000 0.210 224 L C 2.644 179.499 176.870 -0.025 0.000 1.073 224 L CA 2.140 56.960 54.840 -0.035 0.000 0.748 224 L CB -0.755 41.279 42.059 -0.041 0.000 0.891 224 L HN 0.202 nan 8.230 nan 0.000 0.431 225 A N -0.411 122.395 122.820 -0.024 0.000 1.903 225 A HA -0.251 4.068 4.320 -0.001 0.000 0.219 225 A C 2.304 179.884 177.584 -0.005 0.000 1.191 225 A CA 2.409 54.438 52.037 -0.014 0.000 0.638 225 A CB -1.058 17.935 19.000 -0.012 0.000 0.823 225 A HN 0.517 nan 8.150 nan 0.000 0.451 226 L N -0.874 120.341 121.223 -0.012 0.000 2.027 226 L HA -0.166 4.173 4.340 -0.001 0.000 0.206 226 L C 2.554 179.420 176.870 -0.007 0.000 1.074 226 L CA 1.389 56.224 54.840 -0.009 0.000 0.745 226 L CB -0.501 41.545 42.059 -0.022 0.000 0.898 226 L HN 0.399 nan 8.230 nan 0.000 0.433 227 I N -0.296 120.264 120.570 -0.018 0.000 2.208 227 I HA -0.351 3.818 4.170 -0.001 0.000 0.245 227 I C 2.433 178.561 176.117 0.018 0.000 1.097 227 I CA 1.443 62.738 61.300 -0.009 0.000 1.363 227 I CB -0.289 37.702 38.000 -0.016 0.000 1.051 227 I HN 0.226 nan 8.210 nan 0.000 0.413 228 L N 0.149 121.383 121.223 0.017 0.000 2.083 228 L HA -0.210 4.130 4.340 -0.001 0.000 0.209 228 L C 2.420 179.318 176.870 0.047 0.000 1.083 228 L CA 1.103 55.962 54.840 0.032 0.000 0.752 228 L CB -0.693 41.372 42.059 0.010 0.000 0.899 228 L HN 0.351 nan 8.230 nan 0.000 0.433 229 N N 0.010 118.733 118.700 0.038 0.000 2.043 229 N HA -0.165 4.575 4.740 -0.001 0.000 0.193 229 N C 1.831 177.377 175.510 0.061 0.000 1.037 229 N CA 1.479 54.560 53.050 0.051 0.000 0.851 229 N CB -0.224 38.288 38.487 0.042 0.000 1.027 229 N HN 0.075 nan 8.380 nan 0.000 0.422 230 V N 1.876 121.815 119.914 0.042 0.000 2.490 230 V HA -0.169 3.950 4.120 -0.001 0.000 0.250 230 V C 2.423 178.547 176.094 0.049 0.000 1.061 230 V CA 0.925 63.247 62.300 0.036 0.000 1.064 230 V CB -0.406 31.426 31.823 0.015 0.000 0.670 230 V HN 0.273 nan 8.190 nan 0.000 0.461 231 L N -0.887 120.376 121.223 0.066 0.000 2.056 231 L HA -0.131 4.208 4.340 -0.001 0.000 0.207 231 L C 2.243 179.210 176.870 0.162 0.000 1.078 231 L CA 1.586 56.481 54.840 0.091 0.000 0.749 231 L CB -0.070 42.052 42.059 0.105 0.000 0.901 231 L HN 0.235 nan 8.230 nan 0.000 0.433 232 L N -0.722 120.612 121.223 0.185 0.000 2.044 232 L HA -0.123 4.216 4.340 -0.001 0.000 0.205 232 L C 2.760 179.773 176.870 0.237 0.000 1.075 232 L CA 1.087 56.085 54.840 0.265 0.000 0.747 232 L CB -0.839 41.302 42.059 0.136 0.000 0.903 232 L HN 0.289 nan 8.230 nan 0.000 0.435 233 A N 0.070 122.983 122.820 0.154 0.000 1.872 233 A HA -0.067 4.252 4.320 -0.001 0.000 0.214 233 A C 2.462 180.126 177.584 0.133 0.000 1.187 233 A CA 1.468 53.593 52.037 0.147 0.000 0.614 233 A CB -0.777 18.295 19.000 0.119 0.000 0.826 233 A HN 0.352 nan 8.150 nan 0.000 0.442 234 A N -1.228 121.644 122.820 0.087 0.000 2.121 234 A HA 0.028 4.347 4.320 -0.001 0.000 0.218 234 A C 2.115 179.735 177.584 0.059 0.000 1.154 234 A CA 2.102 54.179 52.037 0.066 0.000 0.679 234 A CB -0.699 18.301 19.000 0.001 0.000 0.795 234 A HN 0.452 nan 8.150 nan 0.000 0.458 235 T N -1.352 113.219 114.554 0.028 0.000 2.980 235 T HA -0.008 4.341 4.350 -0.001 0.000 0.239 235 T C 1.821 176.516 174.700 -0.008 0.000 1.011 235 T CA 0.646 62.695 62.100 -0.086 0.000 1.171 235 T CB -0.201 68.433 68.868 -0.390 0.000 0.873 235 T HN 0.340 nan 8.240 nan 0.000 0.431 236 E N 1.082 121.354 120.200 0.120 0.000 2.068 236 E HA -0.158 4.191 4.350 -0.001 0.000 0.207 236 E C -0.492 176.211 176.600 0.171 0.000 1.032 236 E CA 1.880 58.409 56.400 0.215 0.000 0.839 236 E CB -1.114 28.753 29.700 0.279 0.000 0.758 236 E HN 0.393 nan 8.360 nan 0.000 0.457 237 P HA 0.033 nan 4.420 nan 0.000 0.222 237 P C 1.236 178.643 177.300 0.177 0.000 1.157 237 P CA 1.507 64.716 63.100 0.181 0.000 0.816 237 P CB 0.004 31.826 31.700 0.204 0.000 0.813 238 A N 2.590 125.516 122.820 0.177 0.000 1.842 238 A HA -0.257 4.062 4.320 -0.001 0.000 0.217 238 A C 2.141 179.842 177.584 0.195 0.000 1.206 238 A CA 2.729 54.885 52.037 0.198 0.000 0.630 238 A CB -1.743 17.372 19.000 0.192 0.000 0.839 238 A HN 0.310 nan 8.150 nan 0.000 0.447 239 D N 0.053 120.558 120.400 0.174 0.000 2.157 239 D HA -0.267 4.372 4.640 -0.001 0.000 0.191 239 D C 1.670 178.063 176.300 0.156 0.000 1.004 239 D CA 2.075 56.176 54.000 0.168 0.000 0.854 239 D CB -0.748 40.124 40.800 0.120 0.000 0.936 239 D HN 0.572 nan 8.370 nan 0.000 0.446 240 K N -0.095 120.394 120.400 0.148 0.000 2.044 240 K HA -0.128 4.191 4.320 -0.001 0.000 0.210 240 K C 2.445 179.138 176.600 0.155 0.000 1.049 240 K CA 2.089 58.464 56.287 0.147 0.000 0.927 240 K CB -0.361 32.227 32.500 0.147 0.000 0.713 240 K HN 0.228 nan 8.250 nan 0.000 0.443 241 T N 2.001 116.650 114.554 0.158 0.000 2.720 241 T HA -0.157 4.192 4.350 -0.001 0.000 0.268 241 T C 1.695 176.485 174.700 0.150 0.000 1.037 241 T CA 1.075 63.266 62.100 0.152 0.000 1.144 241 T CB -0.256 68.709 68.868 0.161 0.000 0.864 241 T HN 0.067 nan 8.240 nan 0.000 0.444 242 L N 1.752 123.067 121.223 0.154 0.000 1.970 242 L HA -0.042 4.297 4.340 -0.001 0.000 0.212 242 L C 2.695 179.641 176.870 0.127 0.000 1.071 242 L CA 2.153 57.073 54.840 0.133 0.000 0.751 242 L CB -1.431 40.712 42.059 0.141 0.000 0.889 242 L HN 0.255 nan 8.230 nan 0.000 0.432 243 A N -0.620 122.287 122.820 0.144 0.000 1.873 243 A HA -0.249 4.070 4.320 -0.001 0.000 0.218 243 A C 2.348 180.051 177.584 0.198 0.000 1.193 243 A CA 2.309 54.438 52.037 0.154 0.000 0.629 243 A CB -1.087 18.008 19.000 0.158 0.000 0.826 243 A HN 0.519 nan 8.150 nan 0.000 0.447 244 L N -1.458 119.893 121.223 0.213 0.000 2.012 244 L HA -0.254 4.085 4.340 -0.001 0.000 0.210 244 L C 2.865 179.875 176.870 0.233 0.000 1.073 244 L CA 2.056 57.056 54.840 0.266 0.000 0.748 244 L CB -0.395 41.786 42.059 0.203 0.000 0.891 244 L HN 0.651 nan 8.230 nan 0.000 0.431 245 M N -0.212 119.482 119.600 0.158 0.000 2.065 245 M HA -0.269 4.211 4.480 -0.001 0.000 0.259 245 M C 2.254 178.605 176.300 0.084 0.000 1.069 245 M CA 2.046 57.423 55.300 0.129 0.000 1.110 245 M CB -0.161 32.512 32.600 0.120 0.000 1.328 245 M HN 0.094 nan 8.290 nan 0.000 0.405 246 I N -0.550 120.064 120.570 0.074 0.000 2.286 246 I HA -0.299 3.870 4.170 -0.001 0.000 0.248 246 I C 2.315 178.430 176.117 -0.004 0.000 1.115 246 I CA 1.411 62.722 61.300 0.019 0.000 1.392 246 I CB -0.515 37.484 38.000 -0.001 0.000 1.065 246 I HN 0.427 nan 8.210 nan 0.000 0.418 247 Y N 1.076 121.337 120.300 -0.064 0.000 2.089 247 Y HA -0.322 4.227 4.550 -0.001 0.000 0.282 247 Y C 2.742 178.454 175.900 -0.313 0.000 1.139 247 Y CA 1.851 59.848 58.100 -0.171 0.000 1.123 247 Y CB -0.627 37.724 38.460 -0.181 0.000 0.980 247 Y HN 0.191 nan 8.280 nan 0.000 0.493 248 H N -0.148 118.686 119.070 -0.394 0.000 2.456 248 H HA -0.131 4.424 4.556 -0.001 0.000 0.296 248 H C 2.361 177.294 175.328 -0.659 0.000 1.079 248 H CA 1.693 57.251 56.048 -0.816 0.000 1.322 248 H CB -0.137 28.848 29.762 -1.295 0.000 1.388 248 H HN 0.397 nan 8.280 nan 0.000 0.538 249 L N 0.258 121.349 121.223 -0.221 0.000 2.156 249 L HA -0.142 4.198 4.340 -0.001 0.000 0.208 249 L C 2.389 179.174 176.870 -0.142 0.000 1.095 249 L CA 0.576 55.383 54.840 -0.055 0.000 0.770 249 L CB -0.130 41.936 42.059 0.010 0.000 0.914 249 L HN 0.194 nan 8.230 nan 0.000 0.439 250 L N -0.782 120.293 121.223 -0.247 0.000 2.179 250 L HA -0.126 4.213 4.340 -0.001 0.000 0.208 250 L C 1.960 178.638 176.870 -0.321 0.000 1.096 250 L CA 0.705 55.399 54.840 -0.243 0.000 0.779 250 L CB -0.351 41.573 42.059 -0.225 0.000 0.922 250 L HN 0.266 nan 8.230 nan 0.000 0.443 251 N N 0.161 118.531 118.700 -0.551 0.000 2.573 251 N HA -0.102 4.638 4.740 -0.001 0.000 0.187 251 N C 0.123 175.461 175.510 -0.287 0.000 1.107 251 N CA 0.626 53.354 53.050 -0.537 0.000 0.918 251 N CB 0.170 38.108 38.487 -0.915 0.000 0.966 251 N HN 0.189 nan 8.380 nan 0.000 0.448 252 N N -0.257 118.326 118.700 -0.196 0.000 2.791 252 N HA 0.168 4.907 4.740 -0.001 0.000 0.265 252 N C -2.284 173.202 175.510 -0.041 0.000 1.580 252 N CA -1.016 51.992 53.050 -0.070 0.000 0.809 252 N CB 1.737 40.246 38.487 0.036 0.000 1.178 252 N HN 0.117 nan 8.380 nan 0.000 0.499 253 P HA -0.194 nan 4.420 nan 0.000 0.217 253 P C 1.209 178.498 177.300 -0.018 0.000 1.151 253 P CA 1.409 64.483 63.100 -0.045 0.000 0.849 253 P CB 0.519 32.193 31.700 -0.043 0.000 0.787 254 E N 0.053 120.249 120.200 -0.006 0.000 2.049 254 E HA -0.254 4.095 4.350 -0.001 0.000 0.198 254 E C 2.143 178.762 176.600 0.032 0.000 1.007 254 E CA 1.319 57.725 56.400 0.010 0.000 0.809 254 E CB -0.731 28.977 29.700 0.012 0.000 0.749 254 E HN 0.470 nan 8.360 nan 0.000 0.450 255 Q N 0.071 119.899 119.800 0.047 0.000 2.084 255 Q HA -0.173 4.167 4.340 -0.001 0.000 0.202 255 Q C 2.219 178.245 176.000 0.043 0.000 0.978 255 Q CA 1.397 57.242 55.803 0.070 0.000 0.844 255 Q CB -0.226 28.559 28.738 0.078 0.000 0.898 255 Q HN 0.163 nan 8.270 nan 0.000 0.426 256 M N 1.678 121.292 119.600 0.023 0.000 2.226 256 M HA -0.267 4.212 4.480 -0.001 0.000 0.257 256 M C 1.388 177.689 176.300 0.002 0.000 1.070 256 M CA 1.839 57.140 55.300 0.001 0.000 1.087 256 M CB -0.526 32.059 32.600 -0.024 0.000 1.278 256 M HN 0.092 nan 8.290 nan 0.000 0.426 257 N N 0.697 119.399 118.700 0.003 0.000 2.091 257 N HA -0.196 4.544 4.740 -0.001 0.000 0.193 257 N C 1.399 176.919 175.510 0.016 0.000 1.021 257 N CA 1.915 54.967 53.050 0.004 0.000 0.862 257 N CB -0.958 37.531 38.487 0.002 0.000 1.018 257 N HN 0.507 nan 8.380 nan 0.000 0.429 258 D N 0.435 120.859 120.400 0.040 0.000 2.104 258 D HA -0.092 4.547 4.640 -0.001 0.000 0.194 258 D C 2.105 178.431 176.300 0.043 0.000 0.994 258 D CA 0.658 54.700 54.000 0.070 0.000 0.830 258 D CB -0.344 40.558 40.800 0.171 0.000 0.959 258 D HN 0.069 nan 8.370 nan 0.000 0.452 259 V N 0.804 120.728 119.914 0.018 0.000 2.358 259 V HA -0.167 3.952 4.120 -0.001 0.000 0.246 259 V C 2.640 178.731 176.094 -0.006 0.000 1.047 259 V CA 0.930 63.228 62.300 -0.003 0.000 1.035 259 V CB -0.398 31.417 31.823 -0.013 0.000 0.658 259 V HN 0.194 nan 8.190 nan 0.000 0.452 260 L N 0.088 121.306 121.223 -0.007 0.000 2.131 260 L HA -0.120 4.219 4.340 -0.001 0.000 0.210 260 L C 2.447 179.311 176.870 -0.011 0.000 1.092 260 L CA 1.512 56.343 54.840 -0.015 0.000 0.759 260 L CB -0.449 41.599 42.059 -0.018 0.000 0.903 260 L HN 0.385 nan 8.230 nan 0.000 0.435 261 A N -1.747 121.072 122.820 -0.003 0.000 2.218 261 A HA -0.016 4.303 4.320 -0.001 0.000 0.209 261 A C 0.143 177.727 177.584 0.001 0.000 1.168 261 A CA 0.425 52.462 52.037 -0.001 0.000 0.804 261 A CB -0.048 18.954 19.000 0.002 0.000 0.834 261 A HN 0.379 nan 8.150 nan 0.000 0.482 262 D N -1.915 118.487 120.400 0.003 0.000 2.931 262 D HA 0.335 4.975 4.640 -0.001 0.000 0.215 262 D C 0.506 176.806 176.300 0.000 0.000 1.297 262 D CA -0.505 53.498 54.000 0.005 0.000 0.892 262 D CB 0.992 41.801 40.800 0.016 0.000 1.642 262 D HN -0.126 nan 8.370 nan 0.000 0.560 263 R N 1.453 121.950 120.500 -0.006 0.000 2.206 263 R HA 0.048 4.387 4.340 -0.001 0.000 0.198 263 R C 1.818 178.112 176.300 -0.010 0.000 0.986 263 R CA 0.844 56.937 56.100 -0.012 0.000 1.029 263 R CB -0.629 29.660 30.300 -0.019 0.000 0.966 263 R HN 0.556 nan 8.270 nan 0.000 0.487 264 S N 0.974 116.672 115.700 -0.004 0.000 2.488 264 S HA -0.085 4.384 4.470 -0.001 0.000 0.246 264 S C 1.839 176.442 174.600 0.004 0.000 0.992 264 S CA 0.840 59.039 58.200 -0.000 0.000 0.963 264 S CB -0.448 62.755 63.200 0.005 0.000 0.754 264 S HN 0.217 nan 8.310 nan 0.000 0.519 265 L N 0.656 121.878 121.223 -0.002 0.000 2.552 265 L HA 0.095 4.434 4.340 -0.001 0.000 0.227 265 L C 2.346 179.204 176.870 -0.020 0.000 1.146 265 L CA 0.099 54.928 54.840 -0.019 0.000 0.858 265 L CB -0.306 41.733 42.059 -0.033 0.000 0.969 265 L HN 0.205 nan 8.230 nan 0.000 0.451 266 V N 0.688 120.597 119.914 -0.007 0.000 2.255 266 V HA -0.212 3.907 4.120 -0.001 0.000 0.247 266 V C -0.034 176.080 176.094 0.033 0.000 1.051 266 V CA 2.118 64.419 62.300 0.002 0.000 1.018 266 V CB -1.401 30.416 31.823 -0.009 0.000 0.641 266 V HN 0.350 nan 8.190 nan 0.000 0.445 267 P HA -0.201 nan 4.420 nan 0.000 0.215 267 P C 1.666 179.086 177.300 0.200 0.000 1.163 267 P CA 1.714 64.896 63.100 0.137 0.000 0.894 267 P CB -0.200 31.579 31.700 0.132 0.000 0.791 268 R N -0.600 119.952 120.500 0.087 0.000 2.127 268 R HA -0.067 4.273 4.340 -0.001 0.000 0.238 268 R C 2.214 178.480 176.300 -0.056 0.000 1.134 268 R CA 1.563 57.665 56.100 0.003 0.000 0.975 268 R CB -1.151 29.101 30.300 -0.080 0.000 0.865 268 R HN 0.178 nan 8.270 nan 0.000 0.447 269 A N 0.953 123.753 122.820 -0.033 0.000 2.066 269 A HA -0.021 4.299 4.320 -0.001 0.000 0.218 269 A C 2.064 179.689 177.584 0.070 0.000 1.157 269 A CA 0.755 52.784 52.037 -0.014 0.000 0.670 269 A CB -0.224 18.787 19.000 0.017 0.000 0.804 269 A HN 0.159 nan 8.150 nan 0.000 0.453 270 I N -0.644 119.998 120.570 0.120 0.000 2.333 270 I HA -0.168 4.001 4.170 -0.001 0.000 0.246 270 I C 2.888 179.072 176.117 0.112 0.000 1.106 270 I CA 0.919 62.327 61.300 0.180 0.000 1.411 270 I CB -0.153 38.024 38.000 0.295 0.000 1.082 270 I HN 0.328 nan 8.210 nan 0.000 0.420 271 A N 0.454 123.311 122.820 0.063 0.000 1.873 271 A HA -0.233 4.086 4.320 -0.001 0.000 0.215 271 A C 2.210 179.607 177.584 -0.310 0.000 1.186 271 A CA 1.911 53.812 52.037 -0.227 0.000 0.616 271 A CB -0.538 18.319 19.000 -0.239 0.000 0.823 271 A HN 0.394 nan 8.150 nan 0.000 0.442 272 E N -0.112 119.952 120.200 -0.227 0.000 2.106 272 E HA -0.111 4.238 4.350 -0.001 0.000 0.192 272 E C 1.896 178.438 176.600 -0.098 0.000 0.984 272 E CA 1.976 58.199 56.400 -0.295 0.000 0.806 272 E CB -0.703 28.691 29.700 -0.510 0.000 0.750 272 E HN 0.479 nan 8.360 nan 0.000 0.458 273 T N 1.067 115.680 114.554 0.099 0.000 2.635 273 T HA -0.170 4.180 4.350 -0.001 0.000 0.267 273 T C 1.798 176.513 174.700 0.026 0.000 1.040 273 T CA 1.660 63.878 62.100 0.196 0.000 1.156 273 T CB -0.387 68.584 68.868 0.171 0.000 0.863 273 T HN 0.152 nan 8.240 nan 0.000 0.430 274 L N 0.381 121.535 121.223 -0.116 0.000 2.079 274 L HA -0.122 4.217 4.340 -0.001 0.000 0.210 274 L C 2.880 179.600 176.870 -0.251 0.000 1.081 274 L CA 1.390 56.084 54.840 -0.243 0.000 0.752 274 L CB -0.478 41.288 42.059 -0.488 0.000 0.896 274 L HN 0.181 nan 8.230 nan 0.000 0.433 275 R N -0.963 119.344 120.500 -0.321 0.000 2.066 275 R HA -0.217 4.123 4.340 -0.001 0.000 0.232 275 R C 2.482 178.759 176.300 -0.039 0.000 1.131 275 R CA 1.633 57.601 56.100 -0.220 0.000 0.955 275 R CB -0.396 29.663 30.300 -0.403 0.000 0.851 275 R HN 0.192 nan 8.270 nan 0.000 0.432 276 Y N 0.715 120.934 120.300 -0.135 0.000 2.163 276 Y HA -0.075 4.475 4.550 -0.001 0.000 0.288 276 Y C 0.505 176.389 175.900 -0.027 0.000 1.136 276 Y CA 1.484 59.542 58.100 -0.070 0.000 1.147 276 Y CB 0.471 38.910 38.460 -0.036 0.000 0.987 276 Y HN -0.148 nan 8.280 nan 0.000 0.509 277 K N 0.838 121.255 120.400 0.028 0.000 3.146 277 K HA 0.273 4.592 4.320 -0.001 0.000 0.168 277 K C -2.951 173.726 176.600 0.128 0.000 1.075 277 K CA -1.935 54.384 56.287 0.053 0.000 0.843 277 K CB 0.767 33.232 32.500 -0.058 0.000 1.002 277 K HN 0.085 nan 8.250 nan 0.000 0.597 278 P HA 0.027 nan 4.420 nan 0.000 0.265 278 P C -2.130 175.245 177.300 0.125 0.000 1.187 278 P CA -0.723 62.427 63.100 0.083 0.000 0.766 278 P CB 0.568 32.310 31.700 0.069 0.000 0.820 279 P HA -0.091 nan 4.420 nan 0.000 0.214 279 P C 0.153 177.546 177.300 0.155 0.000 1.162 279 P CA 1.098 64.282 63.100 0.140 0.000 0.879 279 P CB 0.096 31.878 31.700 0.137 0.000 0.786 280 V N 2.099 122.099 119.914 0.143 0.000 2.389 280 V HA 0.058 4.178 4.120 -0.001 0.000 0.264 280 V C 1.387 177.548 176.094 0.113 0.000 1.049 280 V CA 0.308 62.702 62.300 0.158 0.000 0.932 280 V CB 0.697 32.618 31.823 0.163 0.000 1.011 280 V HN 0.110 nan 8.190 nan 0.000 0.475 281 Q N 3.811 123.677 119.800 0.110 0.000 2.354 281 Q HA 0.277 4.617 4.340 -0.001 0.000 0.203 281 Q C -0.098 175.914 176.000 0.020 0.000 0.933 281 Q CA 0.715 56.568 55.803 0.083 0.000 0.901 281 Q CB 0.704 29.517 28.738 0.125 0.000 1.007 281 Q HN 0.591 nan 8.270 nan 0.000 0.495 282 L N 0.549 121.728 121.223 -0.074 0.000 2.401 282 L HA 0.539 4.879 4.340 -0.001 0.000 0.266 282 L C -0.718 176.054 176.870 -0.163 0.000 0.991 282 L CA -0.582 54.164 54.840 -0.156 0.000 0.818 282 L CB 2.336 44.185 42.059 -0.351 0.000 1.321 282 L HN -0.093 nan 8.230 nan 0.000 0.413 283 I N 4.382 124.901 120.570 -0.084 0.000 2.448 283 I HA 0.308 4.478 4.170 -0.001 0.000 0.281 283 I C -2.216 173.819 176.117 -0.136 0.000 1.027 283 I CA -1.713 59.547 61.300 -0.067 0.000 1.111 283 I CB 2.218 40.198 38.000 -0.034 0.000 1.236 283 I HN 0.295 nan 8.210 nan 0.000 0.452 284 P HA 0.319 nan 4.420 nan 0.000 0.274 284 P C -0.872 176.266 177.300 -0.271 0.000 1.237 284 P CA -0.402 62.422 63.100 -0.461 0.000 0.793 284 P CB 1.136 32.577 31.700 -0.432 0.000 0.977 285 R N 0.447 120.776 120.500 -0.284 0.000 2.680 285 R HA 0.367 4.706 4.340 -0.001 0.000 0.269 285 R C -0.642 175.593 176.300 -0.108 0.000 1.026 285 R CA -0.729 55.296 56.100 -0.126 0.000 0.889 285 R CB 1.703 31.991 30.300 -0.020 0.000 1.241 285 R HN 0.569 nan 8.270 nan 0.000 0.463 286 Q N 1.660 121.422 119.800 -0.063 0.000 2.316 286 Q HA 0.400 4.740 4.340 -0.001 0.000 0.264 286 Q C -0.847 175.115 176.000 -0.063 0.000 0.987 286 Q CA -0.981 54.786 55.803 -0.061 0.000 0.852 286 Q CB 1.599 30.302 28.738 -0.058 0.000 1.287 286 Q HN 0.358 nan 8.270 nan 0.000 0.448 287 L N 2.039 123.210 121.223 -0.086 0.000 2.416 287 L HA 0.057 4.396 4.340 -0.001 0.000 0.272 287 L C 1.260 178.036 176.870 -0.156 0.000 1.161 287 L CA 0.696 55.423 54.840 -0.189 0.000 0.845 287 L CB 1.282 43.227 42.059 -0.189 0.000 1.119 287 L HN 0.825 nan 8.230 nan 0.000 0.464 288 S N 1.448 117.030 115.700 -0.198 0.000 2.492 288 S HA 0.119 4.588 4.470 -0.001 0.000 0.218 288 S C 0.334 174.860 174.600 -0.122 0.000 1.016 288 S CA -0.117 58.004 58.200 -0.132 0.000 0.916 288 S CB 0.067 63.196 63.200 -0.118 0.000 0.791 288 S HN 0.701 nan 8.310 nan 0.000 0.513 289 Q N -0.141 119.562 119.800 -0.162 0.000 2.615 289 Q HA 0.485 4.825 4.340 -0.001 0.000 0.298 289 Q C -2.090 173.829 176.000 -0.135 0.000 1.023 289 Q CA -1.011 54.716 55.803 -0.127 0.000 0.768 289 Q CB 0.409 29.076 28.738 -0.117 0.000 1.500 289 Q HN -0.056 nan 8.270 nan 0.000 0.441 290 D N 1.489 121.831 120.400 -0.096 0.000 2.383 290 D HA 0.392 5.031 4.640 -0.001 0.000 0.252 290 D C -0.699 175.542 176.300 -0.098 0.000 1.166 290 D CA 0.815 54.764 54.000 -0.086 0.000 0.879 290 D CB 1.418 42.183 40.800 -0.057 0.000 1.164 290 D HN 0.508 nan 8.370 nan 0.000 0.462 291 T N 0.476 114.969 114.554 -0.102 0.000 2.802 291 T HA 0.431 4.781 4.350 -0.001 0.000 0.311 291 T C -1.327 173.349 174.700 -0.040 0.000 1.405 291 T CA -0.603 61.447 62.100 -0.082 0.000 1.016 291 T CB 1.076 69.856 68.868 -0.146 0.000 1.352 291 T HN -0.016 nan 8.240 nan 0.000 0.498 292 V N 2.430 122.342 119.914 -0.002 0.000 2.630 292 V HA 0.882 5.002 4.120 -0.001 0.000 0.305 292 V C -0.469 175.653 176.094 0.046 0.000 1.046 292 V CA -0.478 61.821 62.300 -0.000 0.000 0.934 292 V CB 1.711 33.523 31.823 -0.019 0.000 1.003 292 V HN 0.749 nan 8.190 nan 0.000 0.451 293 V N 2.621 122.548 119.914 0.021 0.000 2.891 293 V HA 0.708 4.827 4.120 -0.001 0.000 0.304 293 V C 0.735 176.832 176.094 0.006 0.000 1.171 293 V CA 0.573 62.895 62.300 0.037 0.000 0.943 293 V CB 1.413 33.286 31.823 0.082 0.000 1.037 293 V HN 1.195 nan 8.190 nan 0.000 0.427 294 G N 4.726 113.529 108.800 0.005 0.000 3.099 294 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.331 294 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.331 294 G C 1.051 175.955 174.900 0.007 0.000 1.216 294 G CA 0.855 45.965 45.100 0.018 0.000 0.977 294 G HN 1.930 nan 8.290 nan 0.000 0.600 295 G N -0.715 108.093 108.800 0.014 0.000 2.801 295 G HA2 0.526 4.485 3.960 -0.001 0.000 0.213 295 G HA3 0.526 4.485 3.960 -0.001 0.000 0.213 295 G C 0.573 175.469 174.900 -0.006 0.000 1.052 295 G CA 0.642 45.745 45.100 0.006 0.000 0.868 295 G HN 0.511 nan 8.290 nan 0.000 0.589 296 M N 1.881 121.470 119.600 -0.019 0.000 2.233 296 M HA 0.291 4.771 4.480 -0.001 0.000 0.355 296 M C -0.358 175.895 176.300 -0.078 0.000 1.191 296 M CA -0.200 55.070 55.300 -0.051 0.000 1.101 296 M CB 1.597 34.149 32.600 -0.081 0.000 1.592 296 M HN 0.036 nan 8.290 nan 0.000 0.461 297 E N 3.685 123.845 120.200 -0.067 0.000 2.415 297 E HA 0.197 4.546 4.350 -0.001 0.000 0.263 297 E C -1.044 175.485 176.600 -0.117 0.000 0.995 297 E CA 0.404 56.761 56.400 -0.071 0.000 0.915 297 E CB 0.626 30.297 29.700 -0.049 0.000 0.951 297 E HN 0.467 nan 8.360 nan 0.000 0.449 298 I N 3.381 123.880 120.570 -0.119 0.000 2.466 298 I HA 0.243 4.412 4.170 -0.001 0.000 0.289 298 I C 0.059 176.126 176.117 -0.084 0.000 1.026 298 I CA -0.830 60.380 61.300 -0.149 0.000 1.078 298 I CB 1.674 39.543 38.000 -0.220 0.000 1.249 298 I HN 0.216 nan 8.210 nan 0.000 0.429 299 K N 3.912 124.285 120.400 -0.045 0.000 2.107 299 K HA 0.285 4.605 4.320 -0.001 0.000 0.251 299 K C -0.100 176.479 176.600 -0.036 0.000 1.012 299 K CA -0.864 55.405 56.287 -0.030 0.000 0.920 299 K CB 0.966 33.464 32.500 -0.003 0.000 1.033 299 K HN 0.429 nan 8.250 nan 0.000 0.478 300 K N 1.529 121.903 120.400 -0.043 0.000 2.511 300 K HA -0.186 4.134 4.320 -0.001 0.000 0.280 300 K C -0.512 176.071 176.600 -0.029 0.000 1.008 300 K CA 0.835 57.091 56.287 -0.051 0.000 1.050 300 K CB 0.161 32.633 32.500 -0.046 0.000 0.889 300 K HN 0.590 nan 8.250 nan 0.000 0.484 301 D N 0.760 121.136 120.400 -0.040 0.000 2.748 301 D HA -0.160 4.479 4.640 -0.001 0.000 0.189 301 D C -0.293 176.007 176.300 0.000 0.000 0.982 301 D CA 1.720 55.707 54.000 -0.022 0.000 1.017 301 D CB -1.443 39.350 40.800 -0.011 0.000 1.076 301 D HN 0.832 nan 8.370 nan 0.000 0.446 302 T N -0.285 114.282 114.554 0.021 0.000 2.856 302 T HA 0.465 4.815 4.350 -0.001 0.000 0.306 302 T C 1.108 175.828 174.700 0.033 0.000 1.062 302 T CA -0.652 61.488 62.100 0.067 0.000 1.083 302 T CB 1.453 70.408 68.868 0.145 0.000 0.984 302 T HN 0.376 nan 8.240 nan 0.000 0.542 303 I N -0.330 120.256 120.570 0.028 0.000 2.525 303 I HA 0.776 4.945 4.170 -0.001 0.000 0.301 303 I C -0.485 175.566 176.117 -0.109 0.000 0.992 303 I CA -1.637 59.605 61.300 -0.097 0.000 1.162 303 I CB 1.886 39.763 38.000 -0.205 0.000 1.332 303 I HN 0.635 nan 8.210 nan 0.000 0.458 304 V N 2.059 121.832 119.914 -0.235 0.000 2.735 304 V HA 0.605 4.725 4.120 -0.001 0.000 0.310 304 V C -1.163 174.636 176.094 -0.491 0.000 1.061 304 V CA -0.604 61.588 62.300 -0.180 0.000 0.913 304 V CB 1.618 33.451 31.823 0.016 0.000 1.005 304 V HN 0.675 nan 8.190 nan 0.000 0.428 305 F N 1.995 121.718 119.950 -0.379 0.000 2.427 305 F HA 0.567 5.093 4.527 -0.001 0.000 0.346 305 F C 0.550 176.177 175.800 -0.288 0.000 1.120 305 F CA -0.444 57.266 58.000 -0.484 0.000 1.033 305 F CB 1.448 39.827 39.000 -1.034 0.000 1.126 305 F HN 0.573 nan 8.300 nan 0.000 0.462 306 C N 5.407 124.670 119.300 -0.062 0.000 2.416 306 C HA 0.288 4.747 4.460 -0.001 0.000 0.355 306 C C 0.640 175.619 174.990 -0.018 0.000 1.211 306 C CA -0.889 58.096 59.018 -0.055 0.000 1.699 306 C CB -1.190 26.491 27.740 -0.099 0.000 2.310 306 C HN 0.648 nan 8.230 nan 0.000 0.539 307 M N 4.847 124.456 119.600 0.015 0.000 2.869 307 M HA 0.091 4.570 4.480 -0.001 0.000 0.299 307 M C 0.975 177.210 176.300 -0.109 0.000 1.508 307 M CA 0.260 55.564 55.300 0.007 0.000 1.551 307 M CB -0.084 32.557 32.600 0.069 0.000 1.384 307 M HN 0.657 nan 8.290 nan 0.000 0.491 308 I N 1.659 122.183 120.570 -0.076 0.000 2.252 308 I HA -0.159 4.011 4.170 -0.001 0.000 0.245 308 I C 2.489 178.532 176.117 -0.124 0.000 1.102 308 I CA 1.491 62.746 61.300 -0.074 0.000 1.385 308 I CB -0.321 37.669 38.000 -0.017 0.000 1.064 308 I HN 0.817 nan 8.210 nan 0.000 0.414 309 G N 0.398 109.090 108.800 -0.180 0.000 2.469 309 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.219 309 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.219 309 G C 1.842 176.249 174.900 -0.822 0.000 1.150 309 G CA 0.931 45.852 45.100 -0.299 0.000 0.763 309 G HN 0.501 nan 8.290 nan 0.000 0.561 310 A N 1.092 123.144 122.820 -1.281 0.000 1.898 310 A HA 0.303 4.622 4.320 -0.001 0.000 0.216 310 A C 2.840 180.228 177.584 -0.327 0.000 1.181 310 A CA 2.254 53.622 52.037 -1.115 0.000 0.620 310 A CB -0.824 17.783 19.000 -0.654 0.000 0.819 310 A HN 0.825 nan 8.150 nan 0.000 0.442 311 A N 0.131 122.848 122.820 -0.172 0.000 1.902 311 A HA -0.192 4.128 4.320 -0.001 0.000 0.217 311 A C 1.836 179.566 177.584 0.242 0.000 1.181 311 A CA 1.903 53.972 52.037 0.053 0.000 0.623 311 A CB -0.620 18.360 19.000 -0.033 0.000 0.818 311 A HN 0.501 nan 8.150 nan 0.000 0.443 312 N N -0.587 118.198 118.700 0.143 0.000 2.512 312 N HA -0.025 4.714 4.740 -0.001 0.000 0.183 312 N C 0.992 176.601 175.510 0.165 0.000 1.073 312 N CA 0.502 53.677 53.050 0.208 0.000 0.911 312 N CB -0.026 38.513 38.487 0.086 0.000 0.964 312 N HN 0.290 nan 8.380 nan 0.000 0.447 313 R N 0.114 120.699 120.500 0.141 0.000 2.546 313 R HA 0.147 4.486 4.340 -0.001 0.000 0.320 313 R C -0.452 175.958 176.300 0.183 0.000 1.021 313 R CA -0.203 55.999 56.100 0.171 0.000 1.088 313 R CB -0.059 30.363 30.300 0.204 0.000 1.278 313 R HN 0.102 nan 8.270 nan 0.000 0.557 314 D N 1.705 122.222 120.400 0.194 0.000 2.317 314 D HA 0.119 4.758 4.640 -0.001 0.000 0.252 314 D C -1.636 174.731 176.300 0.112 0.000 1.174 314 D CA -2.143 51.943 54.000 0.144 0.000 0.866 314 D CB 2.014 42.903 40.800 0.148 0.000 1.127 314 D HN -0.125 nan 8.370 nan 0.000 0.467 315 P HA -0.141 nan 4.420 nan 0.000 0.216 315 P C 0.960 178.268 177.300 0.014 0.000 1.150 315 P CA 0.861 64.004 63.100 0.072 0.000 0.843 315 P CB 0.317 32.059 31.700 0.070 0.000 0.787 316 E N -1.228 118.983 120.200 0.018 0.000 2.396 316 E HA -0.136 4.213 4.350 -0.001 0.000 0.200 316 E C 1.566 178.091 176.600 -0.126 0.000 1.023 316 E CA 1.274 57.686 56.400 0.019 0.000 0.857 316 E CB -0.180 29.617 29.700 0.162 0.000 0.775 316 E HN 0.261 nan 8.360 nan 0.000 0.525 317 A N -0.683 121.932 122.820 -0.342 0.000 2.074 317 A HA 0.249 4.568 4.320 -0.001 0.000 0.200 317 A C 0.360 177.394 177.584 -0.916 0.000 1.335 317 A CA -0.122 51.421 52.037 -0.824 0.000 0.922 317 A CB 0.656 18.732 19.000 -1.539 0.000 0.972 317 A HN 0.062 nan 8.150 nan 0.000 0.475 318 F N 0.760 120.630 119.950 -0.133 0.000 2.579 318 F HA 0.411 4.937 4.527 -0.002 0.000 0.325 318 F C 0.007 175.796 175.800 -0.019 0.000 1.162 318 F CA -0.762 57.203 58.000 -0.059 0.000 0.946 318 F CB 1.525 40.510 39.000 -0.025 0.000 1.211 318 F HN 0.177 nan 8.300 nan 0.000 0.447 319 E N 2.991 123.270 120.200 0.131 0.000 2.437 319 E HA -0.005 4.344 4.350 -0.001 0.000 0.263 319 E C -0.113 176.558 176.600 0.118 0.000 1.030 319 E CA 0.204 56.660 56.400 0.093 0.000 0.934 319 E CB 0.433 30.168 29.700 0.058 0.000 0.943 319 E HN 0.543 nan 8.360 nan 0.000 0.444 320 Q N 1.449 121.304 119.800 0.093 0.000 2.443 320 Q HA -0.167 4.172 4.340 -0.001 0.000 0.337 320 Q C -1.883 174.189 176.000 0.119 0.000 1.401 320 Q CA 0.716 56.572 55.803 0.089 0.000 0.943 320 Q CB -0.877 27.898 28.738 0.061 0.000 1.177 320 Q HN 0.576 nan 8.270 nan 0.000 0.394 321 P HA -0.094 nan 4.420 nan 0.000 0.219 321 P C 0.435 177.877 177.300 0.237 0.000 1.150 321 P CA 0.971 64.183 63.100 0.186 0.000 0.814 321 P CB 0.226 32.045 31.700 0.198 0.000 0.787 322 D N -0.323 120.218 120.400 0.235 0.000 2.325 322 D HA 0.090 4.729 4.640 -0.001 0.000 0.234 322 D C 0.089 176.618 176.300 0.382 0.000 1.122 322 D CA 0.135 54.331 54.000 0.327 0.000 0.850 322 D CB 0.082 41.007 40.800 0.207 0.000 0.921 322 D HN 0.067 nan 8.370 nan 0.000 0.513 323 V N 1.399 121.456 119.914 0.239 0.000 2.398 323 V HA 0.266 4.385 4.120 -0.001 0.000 0.286 323 V C -0.204 175.802 176.094 -0.147 0.000 1.026 323 V CA -1.128 61.216 62.300 0.074 0.000 0.868 323 V CB 1.525 33.370 31.823 0.036 0.000 0.982 323 V HN -0.039 nan 8.190 nan 0.000 0.443 324 F N 5.336 124.950 119.950 -0.560 0.000 2.424 324 F HA 0.628 5.154 4.527 -0.001 0.000 0.356 324 F C 0.095 175.696 175.800 -0.332 0.000 1.110 324 F CA 0.180 57.730 58.000 -0.751 0.000 1.161 324 F CB 0.550 39.015 39.000 -0.891 0.000 1.115 324 F HN 0.599 nan 8.300 nan 0.000 0.507 325 N N 6.395 124.642 118.700 -0.755 0.000 2.503 325 N HA 0.179 4.918 4.740 -0.001 0.000 0.287 325 N C 0.184 175.328 175.510 -0.609 0.000 1.096 325 N CA -0.594 52.175 53.050 -0.469 0.000 0.936 325 N CB 1.022 39.384 38.487 -0.208 0.000 1.570 325 N HN 0.642 nan 8.380 nan 0.000 0.504 326 I N 0.216 120.434 120.570 -0.585 0.000 2.876 326 I HA 0.164 4.333 4.170 -0.001 0.000 0.264 326 I C 0.374 176.239 176.117 -0.421 0.000 1.204 326 I CA 0.760 61.720 61.300 -0.566 0.000 1.485 326 I CB -0.141 37.535 38.000 -0.540 0.000 1.103 326 I HN 0.417 nan 8.210 nan 0.000 0.446 327 H N 2.119 121.086 119.070 -0.171 0.000 2.533 327 H HA 0.181 4.736 4.556 -0.002 0.000 0.271 327 H C 0.488 175.769 175.328 -0.079 0.000 1.000 327 H CA -0.393 55.596 56.048 -0.099 0.000 1.149 327 H CB -0.060 29.657 29.762 -0.075 0.000 1.375 327 H HN 0.416 nan 8.280 nan 0.000 0.582 328 R N 1.307 121.792 120.500 -0.025 0.000 2.538 328 R HA -0.030 4.310 4.340 -0.001 0.000 0.282 328 R C 0.054 176.372 176.300 0.030 0.000 1.009 328 R CA 0.285 56.384 56.100 -0.002 0.000 1.063 328 R CB 0.499 30.784 30.300 -0.026 0.000 0.945 328 R HN 0.415 nan 8.270 nan 0.000 0.414 329 E N 1.435 121.660 120.200 0.041 0.000 2.358 329 E HA -0.134 4.215 4.350 -0.001 0.000 0.195 329 E C 0.156 176.789 176.600 0.055 0.000 1.010 329 E CA 1.034 57.460 56.400 0.042 0.000 0.856 329 E CB 0.109 29.828 29.700 0.031 0.000 0.795 329 E HN 0.777 nan 8.360 nan 0.000 0.504 330 D N 0.605 121.055 120.400 0.083 0.000 2.358 330 D HA -0.047 4.592 4.640 -0.001 0.000 0.224 330 D C 1.532 177.964 176.300 0.220 0.000 1.123 330 D CA -0.138 53.926 54.000 0.107 0.000 0.833 330 D CB 0.102 40.959 40.800 0.095 0.000 0.946 330 D HN 0.101 nan 8.370 nan 0.000 0.505 331 L N 1.176 122.498 121.223 0.165 0.000 2.217 331 L HA 0.194 4.533 4.340 -0.001 0.000 0.211 331 L C 1.560 178.541 176.870 0.184 0.000 1.107 331 L CA 1.445 56.389 54.840 0.174 0.000 0.783 331 L CB -0.480 41.595 42.059 0.027 0.000 0.919 331 L HN 0.309 nan 8.230 nan 0.000 0.442 332 G N -0.067 108.807 108.800 0.123 0.000 2.295 332 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.287 332 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.287 332 G C 0.924 175.872 174.900 0.080 0.000 1.055 332 G CA 0.586 45.744 45.100 0.096 0.000 0.922 332 G HN 0.465 nan 8.290 nan 0.000 0.503 333 I N 0.286 120.895 120.570 0.065 0.000 2.185 333 I HA -0.163 4.007 4.170 -0.001 0.000 0.246 333 I C 2.487 178.658 176.117 0.091 0.000 1.088 333 I CA 2.911 64.249 61.300 0.064 0.000 1.347 333 I CB -0.173 37.866 38.000 0.066 0.000 1.041 333 I HN 0.384 nan 8.210 nan 0.000 0.415 334 K N -0.069 120.380 120.400 0.082 0.000 2.281 334 K HA -0.137 4.183 4.320 -0.001 0.000 0.203 334 K C 1.570 178.226 176.600 0.093 0.000 1.046 334 K CA 1.570 57.909 56.287 0.087 0.000 0.938 334 K CB -0.142 32.396 32.500 0.063 0.000 0.737 334 K HN 0.598 nan 8.250 nan 0.000 0.458 335 S N -2.182 113.565 115.700 0.078 0.000 2.701 335 S HA 0.301 4.771 4.470 -0.001 0.000 0.242 335 S C 1.379 176.007 174.600 0.046 0.000 1.025 335 S CA -0.072 58.171 58.200 0.072 0.000 1.016 335 S CB 1.015 64.247 63.200 0.052 0.000 0.977 335 S HN 0.232 nan 8.310 nan 0.000 0.546 336 A N 0.910 123.722 122.820 -0.013 0.000 2.178 336 A HA 0.312 4.632 4.320 -0.001 0.000 0.218 336 A C 0.368 177.730 177.584 -0.370 0.000 1.157 336 A CA 0.587 52.514 52.037 -0.184 0.000 0.689 336 A CB -0.708 18.083 19.000 -0.349 0.000 0.787 336 A HN 0.626 nan 8.150 nan 0.000 0.465 337 F N 0.231 120.326 119.950 0.242 0.000 2.564 337 F HA 0.398 4.924 4.527 -0.001 0.000 0.329 337 F C 0.408 176.222 175.800 0.022 0.000 1.458 337 F CA 0.109 58.204 58.000 0.159 0.000 1.117 337 F CB 0.753 39.812 39.000 0.099 0.000 1.383 337 F HN 0.143 nan 8.300 nan 0.000 0.571 338 S N -1.825 113.945 115.700 0.117 0.000 2.611 338 S HA 0.551 5.020 4.470 -0.001 0.000 0.268 338 S C 0.793 175.415 174.600 0.037 0.000 1.156 338 S CA -0.358 57.878 58.200 0.060 0.000 0.817 338 S CB 1.048 64.288 63.200 0.066 0.000 1.122 338 S HN 0.322 nan 8.310 nan 0.000 0.466 339 G N 0.720 109.533 108.800 0.021 0.000 2.475 339 G HA2 0.014 3.973 3.960 -0.001 0.000 0.220 339 G HA3 0.014 3.973 3.960 -0.001 0.000 0.220 339 G C 1.220 176.128 174.900 0.015 0.000 1.125 339 G CA 0.982 46.092 45.100 0.016 0.000 0.755 339 G HN 1.505 nan 8.290 nan 0.000 0.565 340 A N 0.082 122.913 122.820 0.019 0.000 2.278 340 A HA 0.708 5.028 4.320 -0.001 0.000 0.212 340 A C 1.483 179.074 177.584 0.012 0.000 1.213 340 A CA 0.781 52.829 52.037 0.020 0.000 0.840 340 A CB -0.352 18.664 19.000 0.027 0.000 0.866 340 A HN 0.842 nan 8.150 nan 0.000 0.489 341 A N 0.060 122.871 122.820 -0.015 0.000 2.561 341 A HA 0.266 4.585 4.320 -0.001 0.000 0.234 341 A C 1.475 179.014 177.584 -0.075 0.000 1.055 341 A CA -0.247 51.738 52.037 -0.086 0.000 0.756 341 A CB 0.201 19.063 19.000 -0.230 0.000 0.986 341 A HN 0.362 nan 8.150 nan 0.000 0.505 342 R N 0.920 121.435 120.500 0.025 0.000 2.070 342 R HA -0.089 4.251 4.340 -0.001 0.000 0.233 342 R C 0.871 177.396 176.300 0.376 0.000 1.137 342 R CA 1.961 58.174 56.100 0.189 0.000 0.945 342 R CB -1.121 29.357 30.300 0.297 0.000 0.845 342 R HN 1.026 nan 8.270 nan 0.000 0.430 343 H N -1.729 117.567 119.070 0.377 0.000 2.597 343 H HA 0.248 4.804 4.556 -0.002 0.000 0.370 343 H C 0.657 176.082 175.328 0.161 0.000 1.281 343 H CA -0.307 55.922 56.048 0.300 0.000 1.422 343 H CB 0.491 30.276 29.762 0.039 0.000 1.524 343 H HN -0.031 nan 8.280 nan 0.000 0.607 344 L N 1.042 122.339 121.223 0.123 0.000 2.965 344 L HA 0.364 4.703 4.340 -0.001 0.000 0.254 344 L C 1.752 178.647 176.870 0.041 0.000 1.220 344 L CA 0.179 55.017 54.840 -0.002 0.000 1.023 344 L CB 0.108 42.133 42.059 -0.057 0.000 1.355 344 L HN 0.888 nan 8.230 nan 0.000 0.545 345 A N 0.010 122.910 122.820 0.133 0.000 2.067 345 A HA -0.044 4.275 4.320 -0.001 0.000 0.219 345 A C 1.424 178.942 177.584 -0.110 0.000 1.158 345 A CA 1.310 53.336 52.037 -0.019 0.000 0.661 345 A CB -0.351 18.569 19.000 -0.133 0.000 0.801 345 A HN 0.387 nan 8.150 nan 0.000 0.452 346 F N -0.590 119.451 119.950 0.151 0.000 2.639 346 F HA 0.441 4.967 4.527 -0.001 0.000 0.302 346 F C 1.586 177.427 175.800 0.068 0.000 1.097 346 F CA -0.031 58.041 58.000 0.120 0.000 1.294 346 F CB -0.360 38.714 39.000 0.123 0.000 1.027 346 F HN 0.403 nan 8.300 nan 0.000 0.550 347 G N 0.468 109.370 108.800 0.170 0.000 2.562 347 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.250 347 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.250 347 G C -0.337 174.593 174.900 0.050 0.000 1.269 347 G CA -0.192 44.962 45.100 0.089 0.000 0.919 347 G HN 0.422 nan 8.290 nan 0.000 0.574 348 S N -0.529 115.186 115.700 0.025 0.000 2.566 348 S HA 0.737 5.206 4.470 -0.001 0.000 0.273 348 S C 0.726 175.326 174.600 0.001 0.000 1.157 348 S CA 1.290 59.488 58.200 -0.003 0.000 0.938 348 S CB 0.841 64.009 63.200 -0.053 0.000 1.087 348 S HN 2.866 nan 8.310 nan 0.000 0.474 349 G N 4.228 113.030 108.800 0.004 0.000 2.527 349 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.262 349 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.262 349 G C 0.702 175.603 174.900 0.003 0.000 1.153 349 G CA 0.317 45.413 45.100 -0.006 0.000 0.954 349 G HN 0.766 nan 8.290 nan 0.000 0.552 350 I N 0.740 121.308 120.570 -0.003 0.000 2.439 350 I HA 0.023 4.192 4.170 -0.001 0.000 0.251 350 I C 1.722 177.858 176.117 0.032 0.000 1.139 350 I CA 1.499 62.801 61.300 0.004 0.000 1.438 350 I CB -0.042 37.950 38.000 -0.013 0.000 1.085 350 I HN 0.520 nan 8.210 nan 0.000 0.427 351 H N 1.162 120.217 119.070 -0.025 0.000 2.490 351 H HA 0.190 4.746 4.556 -0.001 0.000 0.285 351 H C -0.261 175.074 175.328 0.012 0.000 1.127 351 H CA -0.416 55.628 56.048 -0.006 0.000 0.993 351 H CB -0.285 29.471 29.762 -0.010 0.000 1.653 351 H HN 0.347 nan 8.280 nan 0.000 0.557 352 N N -0.401 118.334 118.700 0.059 0.000 2.408 352 N HA -0.065 4.675 4.740 -0.001 0.000 0.260 352 N C 0.000 175.538 175.510 0.046 0.000 1.242 352 N CA -0.466 52.635 53.050 0.084 0.000 0.959 352 N CB 0.188 38.726 38.487 0.085 0.000 1.201 352 N HN 0.084 nan 8.380 nan 0.000 0.511 353 C N 1.807 121.174 119.300 0.112 0.000 2.298 353 C HA -0.006 4.454 4.460 -0.001 0.000 0.395 353 C C 1.859 176.839 174.990 -0.017 0.000 1.526 353 C CA -0.416 58.654 59.018 0.086 0.000 1.458 353 C CB -1.523 26.336 27.740 0.199 0.000 2.506 353 C HN 0.467 nan 8.230 nan 0.000 0.604 354 V N 6.111 126.011 119.914 -0.024 0.000 2.759 354 V HA 0.003 4.123 4.120 -0.001 0.000 0.256 354 V C 2.206 178.273 176.094 -0.046 0.000 1.080 354 V CA 2.223 64.496 62.300 -0.046 0.000 1.101 354 V CB -0.682 31.115 31.823 -0.043 0.000 0.698 354 V HN 1.084 nan 8.190 nan 0.000 0.477 355 G N -1.323 107.457 108.800 -0.033 0.000 3.337 355 G HA2 0.012 3.972 3.960 -0.001 0.000 0.246 355 G HA3 0.012 3.972 3.960 -0.001 0.000 0.246 355 G C 1.277 176.162 174.900 -0.025 0.000 1.131 355 G CA 0.564 45.658 45.100 -0.010 0.000 0.773 355 G HN 0.364 nan 8.290 nan 0.000 0.544 356 T N 1.382 115.813 114.554 -0.204 0.000 2.665 356 T HA -0.171 4.178 4.350 -0.001 0.000 0.268 356 T C 2.777 177.310 174.700 -0.278 0.000 1.035 356 T CA 1.875 63.640 62.100 -0.559 0.000 1.151 356 T CB -0.107 68.322 68.868 -0.731 0.000 0.862 356 T HN 0.393 nan 8.240 nan 0.000 0.438 357 A N 0.516 123.268 122.820 -0.114 0.000 1.872 357 A HA 0.064 4.383 4.320 -0.001 0.000 0.214 357 A C 2.015 179.567 177.584 -0.053 0.000 1.187 357 A CA 1.146 53.136 52.037 -0.078 0.000 0.614 357 A CB -1.010 17.965 19.000 -0.041 0.000 0.826 357 A HN 0.494 nan 8.150 nan 0.000 0.442 358 F N 1.187 121.066 119.950 -0.118 0.000 2.120 358 F HA -0.215 4.312 4.527 -0.001 0.000 0.300 358 F C 2.494 178.262 175.800 -0.053 0.000 1.095 358 F CA 1.509 59.455 58.000 -0.090 0.000 1.249 358 F CB -0.213 38.736 39.000 -0.085 0.000 0.995 358 F HN 0.253 nan 8.300 nan 0.000 0.480 359 A N 0.013 122.952 122.820 0.197 0.000 1.972 359 A HA -0.223 4.097 4.320 -0.001 0.000 0.219 359 A C 2.306 179.926 177.584 0.060 0.000 1.169 359 A CA 1.784 53.934 52.037 0.188 0.000 0.635 359 A CB -0.791 18.392 19.000 0.305 0.000 0.810 359 A HN 0.496 nan 8.150 nan 0.000 0.446 360 K N -0.278 120.068 120.400 -0.089 0.000 2.001 360 K HA -0.223 4.096 4.320 -0.001 0.000 0.208 360 K C 1.993 178.451 176.600 -0.237 0.000 1.048 360 K CA 1.689 57.799 56.287 -0.296 0.000 0.932 360 K CB -0.356 31.649 32.500 -0.824 0.000 0.715 360 K HN 0.383 nan 8.250 nan 0.000 0.437 361 N N 1.348 119.892 118.700 -0.259 0.000 2.036 361 N HA -0.253 4.486 4.740 -0.001 0.000 0.195 361 N C 1.724 177.110 175.510 -0.207 0.000 1.037 361 N CA 2.068 54.970 53.050 -0.248 0.000 0.855 361 N CB -0.195 38.104 38.487 -0.314 0.000 1.033 361 N HN 0.393 nan 8.380 nan 0.000 0.423 362 E N -0.191 119.852 120.200 -0.261 0.000 2.023 362 E HA -0.188 4.162 4.350 -0.001 0.000 0.196 362 E C 2.071 178.713 176.600 0.070 0.000 1.003 362 E CA 1.547 57.875 56.400 -0.119 0.000 0.809 362 E CB -0.275 29.356 29.700 -0.114 0.000 0.755 362 E HN 0.458 nan 8.360 nan 0.000 0.449 363 I N 0.878 121.493 120.570 0.075 0.000 2.315 363 I HA -0.217 3.952 4.170 -0.001 0.000 0.248 363 I C 2.664 178.803 176.117 0.035 0.000 1.117 363 I CA 1.114 62.478 61.300 0.106 0.000 1.404 363 I CB -0.261 37.819 38.000 0.134 0.000 1.071 363 I HN 0.293 nan 8.210 nan 0.000 0.419 364 E N 1.430 121.620 120.200 -0.017 0.000 2.023 364 E HA -0.241 4.108 4.350 -0.001 0.000 0.196 364 E C 2.331 178.909 176.600 -0.036 0.000 1.003 364 E CA 1.629 58.005 56.400 -0.040 0.000 0.809 364 E CB -0.059 29.590 29.700 -0.086 0.000 0.755 364 E HN 0.396 nan 8.360 nan 0.000 0.449 365 I N 0.570 121.118 120.570 -0.036 0.000 2.087 365 I HA -0.364 3.806 4.170 -0.001 0.000 0.240 365 I C 2.510 178.608 176.117 -0.030 0.000 1.054 365 I CA 1.272 62.557 61.300 -0.025 0.000 1.311 365 I CB -0.503 37.494 38.000 -0.006 0.000 1.024 365 I HN 0.079 nan 8.210 nan 0.000 0.402 366 V N 1.067 120.961 119.914 -0.033 0.000 2.231 366 V HA -0.397 3.722 4.120 -0.001 0.000 0.248 366 V C 2.751 178.771 176.094 -0.124 0.000 1.054 366 V CA 2.281 64.495 62.300 -0.144 0.000 1.015 366 V CB -1.331 30.301 31.823 -0.319 0.000 0.638 366 V HN 0.584 nan 8.190 nan 0.000 0.444 367 A N 0.358 123.130 122.820 -0.081 0.000 1.915 367 A HA -0.346 3.974 4.320 -0.001 0.000 0.220 367 A C 2.074 179.606 177.584 -0.087 0.000 1.198 367 A CA 2.545 54.538 52.037 -0.073 0.000 0.647 367 A CB -0.889 18.093 19.000 -0.030 0.000 0.825 367 A HN 0.655 nan 8.150 nan 0.000 0.456 368 N N -0.403 118.254 118.700 -0.072 0.000 2.166 368 N HA -0.082 4.658 4.740 -0.001 0.000 0.186 368 N C 1.687 177.142 175.510 -0.092 0.000 1.019 368 N CA 1.627 54.635 53.050 -0.070 0.000 0.856 368 N CB -0.328 38.127 38.487 -0.053 0.000 0.993 368 N HN 0.603 nan 8.380 nan 0.000 0.426 369 I N 0.401 120.908 120.570 -0.104 0.000 2.500 369 I HA -0.140 4.029 4.170 -0.001 0.000 0.252 369 I C 2.059 178.059 176.117 -0.194 0.000 1.142 369 I CA 0.318 61.546 61.300 -0.120 0.000 1.451 369 I CB 0.054 38.000 38.000 -0.091 0.000 1.093 369 I HN -0.134 nan 8.210 nan 0.000 0.430 370 V N 1.102 120.868 119.914 -0.246 0.000 2.295 370 V HA -0.278 3.841 4.120 -0.001 0.000 0.246 370 V C 2.361 178.287 176.094 -0.279 0.000 1.049 370 V CA 1.805 63.899 62.300 -0.344 0.000 1.024 370 V CB -0.538 31.076 31.823 -0.349 0.000 0.648 370 V HN 0.348 nan 8.190 nan 0.000 0.447 371 L N -0.298 120.811 121.223 -0.191 0.000 2.046 371 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 371 L C 2.342 179.133 176.870 -0.131 0.000 1.077 371 L CA 1.527 56.279 54.840 -0.147 0.000 0.747 371 L CB -0.796 41.204 42.059 -0.099 0.000 0.896 371 L HN 0.294 nan 8.230 nan 0.000 0.432 372 D N 0.273 120.601 120.400 -0.120 0.000 2.123 372 D HA -0.170 4.469 4.640 -0.001 0.000 0.196 372 D C 2.199 178.437 176.300 -0.103 0.000 0.992 372 D CA 1.384 55.328 54.000 -0.094 0.000 0.833 372 D CB 0.066 40.818 40.800 -0.079 0.000 0.954 372 D HN 0.269 nan 8.370 nan 0.000 0.455 373 K N -0.847 119.459 120.400 -0.155 0.000 2.335 373 K HA 0.230 4.549 4.320 -0.001 0.000 0.195 373 K C 0.554 177.023 176.600 -0.219 0.000 1.058 373 K CA 0.109 56.302 56.287 -0.157 0.000 0.988 373 K CB 0.484 32.886 32.500 -0.164 0.000 0.880 373 K HN 0.088 nan 8.250 nan 0.000 0.513 374 M N 2.372 121.750 119.600 -0.370 0.000 3.347 374 M HA 0.232 4.712 4.480 -0.001 0.000 0.260 374 M C -0.594 175.617 176.300 -0.148 0.000 1.362 374 M CA -0.084 54.901 55.300 -0.525 0.000 1.497 374 M CB 0.049 32.012 32.600 -1.063 0.000 1.080 374 M HN -0.118 nan 8.290 nan 0.000 0.592 375 R N 2.232 122.721 120.500 -0.018 0.000 2.538 375 R HA 0.018 4.357 4.340 -0.001 0.000 0.282 375 R C 0.284 176.619 176.300 0.060 0.000 1.009 375 R CA 0.370 56.477 56.100 0.013 0.000 1.063 375 R CB 0.188 30.502 30.300 0.024 0.000 0.945 375 R HN 0.544 nan 8.270 nan 0.000 0.414 376 N N 1.380 120.096 118.700 0.027 0.000 2.756 376 N HA -0.235 4.504 4.740 -0.001 0.000 0.248 376 N C -0.459 175.084 175.510 0.056 0.000 1.062 376 N CA 0.732 53.801 53.050 0.033 0.000 0.696 376 N CB -0.988 37.520 38.487 0.035 0.000 0.946 376 N HN 0.593 nan 8.380 nan 0.000 0.548 377 I N 0.025 120.615 120.570 0.033 0.000 2.696 377 I HA 0.181 4.350 4.170 -0.001 0.000 0.284 377 I C 0.799 176.924 176.117 0.013 0.000 1.129 377 I CA 0.004 61.330 61.300 0.044 0.000 1.410 377 I CB 0.698 38.671 38.000 -0.045 0.000 1.399 377 I HN 0.218 nan 8.210 nan 0.000 0.579 378 R N 6.529 127.042 120.500 0.021 0.000 2.710 378 R HA 0.398 4.737 4.340 -0.001 0.000 0.270 378 R C -1.914 174.366 176.300 -0.034 0.000 1.021 378 R CA -0.828 55.265 56.100 -0.011 0.000 0.889 378 R CB 1.502 31.802 30.300 -0.001 0.000 1.243 378 R HN 0.630 nan 8.270 nan 0.000 0.464 379 L N 3.029 124.225 121.223 -0.045 0.000 2.369 379 L HA 0.160 4.499 4.340 -0.001 0.000 0.279 379 L C 0.873 177.736 176.870 -0.012 0.000 1.108 379 L CA 0.097 54.902 54.840 -0.059 0.000 0.852 379 L CB 0.791 42.862 42.059 0.020 0.000 1.169 379 L HN 0.546 nan 8.230 nan 0.000 0.452 380 E N 4.543 124.711 120.200 -0.054 0.000 2.502 380 E HA -0.058 4.291 4.350 -0.001 0.000 0.261 380 E C -0.218 176.440 176.600 0.097 0.000 0.974 380 E CA 0.107 56.512 56.400 0.009 0.000 0.936 380 E CB 0.506 30.198 29.700 -0.013 0.000 0.926 380 E HN 0.483 nan 8.360 nan 0.000 0.459 381 E N 2.727 122.968 120.200 0.069 0.000 2.534 381 E HA -0.159 4.190 4.350 -0.001 0.000 0.264 381 E C -0.092 176.576 176.600 0.113 0.000 0.981 381 E CA 0.446 56.891 56.400 0.076 0.000 0.948 381 E CB 0.197 29.922 29.700 0.043 0.000 0.934 381 E HN 0.431 nan 8.360 nan 0.000 0.459 382 D N 0.196 120.659 120.400 0.106 0.000 3.039 382 D HA -0.263 4.377 4.640 -0.001 0.000 0.222 382 D C -0.251 176.122 176.300 0.122 0.000 1.179 382 D CA 0.914 54.967 54.000 0.088 0.000 0.880 382 D CB -1.908 38.925 40.800 0.054 0.000 1.115 382 D HN 0.388 nan 8.370 nan 0.000 0.416 383 F N 1.218 121.191 119.950 0.037 0.000 2.543 383 F HA 0.234 4.761 4.527 -0.001 0.000 0.375 383 F C 0.347 176.185 175.800 0.063 0.000 1.075 383 F CA -0.823 57.207 58.000 0.050 0.000 1.225 383 F CB 0.580 39.622 39.000 0.071 0.000 1.099 383 F HN 0.141 nan 8.300 nan 0.000 0.561 384 C N 9.072 127.941 119.300 -0.719 0.000 2.203 384 C HA 0.314 4.774 4.460 -0.001 0.000 0.325 384 C C -0.531 173.872 174.990 -0.979 0.000 1.156 384 C CA -0.810 57.839 59.018 -0.614 0.000 1.597 384 C CB -1.687 25.867 27.740 -0.309 0.000 2.148 384 C HN 0.794 nan 8.230 nan 0.000 0.472 385 Y N 4.963 124.693 120.300 -0.950 0.000 2.526 385 Y HA 0.432 4.981 4.550 -0.001 0.000 0.330 385 Y C 0.323 175.992 175.900 -0.385 0.000 1.156 385 Y CA 0.877 58.570 58.100 -0.678 0.000 1.419 385 Y CB 0.422 38.610 38.460 -0.453 0.000 1.250 385 Y HN 0.866 nan 8.280 nan 0.000 0.540 386 A N 5.505 127.809 122.820 -0.859 0.000 2.556 386 A HA 0.710 5.029 4.320 -0.001 0.000 0.294 386 A C -1.323 175.839 177.584 -0.703 0.000 1.091 386 A CA -0.908 50.785 52.037 -0.574 0.000 0.704 386 A CB 1.579 20.382 19.000 -0.328 0.000 1.300 386 A HN 0.758 nan 8.150 nan 0.000 0.406 387 E N -0.137 119.846 120.200 -0.362 0.000 2.317 387 E HA 0.632 4.981 4.350 -0.001 0.000 0.270 387 E C -1.203 175.342 176.600 -0.093 0.000 0.885 387 E CA -0.599 55.676 56.400 -0.209 0.000 0.760 387 E CB 2.259 31.930 29.700 -0.049 0.000 1.227 387 E HN 0.611 nan 8.360 nan 0.000 0.434 388 S N 1.286 116.960 115.700 -0.044 0.000 2.548 388 S HA 0.823 5.292 4.470 -0.001 0.000 0.276 388 S C -0.815 173.802 174.600 0.028 0.000 1.129 388 S CA 0.250 58.441 58.200 -0.016 0.000 0.931 388 S CB 1.483 64.667 63.200 -0.026 0.000 1.068 388 S HN 0.868 nan 8.310 nan 0.000 0.480 389 G N 2.182 111.004 108.800 0.037 0.000 2.697 389 G HA2 0.109 4.068 3.960 -0.001 0.000 0.684 389 G HA3 0.109 4.068 3.960 -0.001 0.000 0.684 389 G C -0.443 174.514 174.900 0.094 0.000 1.274 389 G CA -0.152 44.991 45.100 0.072 0.000 0.806 389 G HN 1.306 nan 8.290 nan 0.000 0.644 390 L N 1.260 122.556 121.223 0.122 0.000 2.500 390 L HA 0.477 4.816 4.340 -0.001 0.000 0.219 390 L C 1.908 178.896 176.870 0.197 0.000 1.057 390 L CA 1.339 56.269 54.840 0.151 0.000 0.854 390 L CB -0.173 41.959 42.059 0.122 0.000 1.078 390 L HN 0.784 nan 8.230 nan 0.000 0.480 391 Y N 0.063 120.403 120.300 0.068 0.000 2.464 391 Y HA 0.278 4.827 4.550 -0.001 0.000 0.288 391 Y C 0.669 176.627 175.900 0.097 0.000 1.133 391 Y CA 0.614 58.760 58.100 0.076 0.000 1.223 391 Y CB 0.169 38.657 38.460 0.046 0.000 1.187 391 Y HN 0.207 nan 8.280 nan 0.000 0.539 392 T N -0.536 114.232 114.554 0.358 0.000 2.861 392 T HA 0.579 4.929 4.350 -0.001 0.000 0.287 392 T C -1.011 173.800 174.700 0.184 0.000 1.003 392 T CA -0.870 61.380 62.100 0.250 0.000 0.977 392 T CB 2.424 71.432 68.868 0.233 0.000 0.996 392 T HN 0.222 nan 8.240 nan 0.000 0.448 393 R N 1.355 121.956 120.500 0.169 0.000 2.670 393 R HA 0.771 5.111 4.340 -0.001 0.000 0.289 393 R C -0.381 176.006 176.300 0.145 0.000 0.965 393 R CA -0.440 55.749 56.100 0.149 0.000 0.899 393 R CB 1.670 32.070 30.300 0.167 0.000 1.173 393 R HN 1.093 nan 8.270 nan 0.000 0.456 394 G N 2.969 111.836 108.800 0.112 0.000 2.623 394 G HA2 0.408 4.367 3.960 -0.001 0.000 0.290 394 G HA3 0.408 4.367 3.960 -0.001 0.000 0.290 394 G C -3.039 171.879 174.900 0.031 0.000 1.437 394 G CA -1.277 43.884 45.100 0.102 0.000 0.798 394 G HN 0.378 nan 8.290 nan 0.000 0.488 395 P HA 0.164 nan 4.420 nan 0.000 0.265 395 P C 1.295 178.540 177.300 -0.093 0.000 1.193 395 P CA -0.314 62.698 63.100 -0.146 0.000 0.765 395 P CB 1.229 32.922 31.700 -0.011 0.000 0.823 396 V N 1.503 121.320 119.914 -0.161 0.000 2.343 396 V HA -0.149 3.970 4.120 -0.001 0.000 0.247 396 V C 1.177 177.261 176.094 -0.017 0.000 1.051 396 V CA 2.312 64.565 62.300 -0.079 0.000 1.036 396 V CB -0.960 30.798 31.823 -0.108 0.000 0.654 396 V HN 0.821 nan 8.190 nan 0.000 0.451 397 S N -1.351 114.353 115.700 0.007 0.000 2.615 397 S HA 0.678 5.148 4.470 -0.001 0.000 0.269 397 S C -1.468 173.262 174.600 0.217 0.000 1.161 397 S CA -0.734 57.530 58.200 0.107 0.000 0.817 397 S CB 2.353 65.636 63.200 0.138 0.000 1.131 397 S HN 0.159 nan 8.310 nan 0.000 0.467 398 L N 1.371 122.665 121.223 0.118 0.000 2.529 398 L HA 0.573 4.912 4.340 -0.001 0.000 0.260 398 L C -1.810 174.910 176.870 -0.250 0.000 0.997 398 L CA -0.449 54.349 54.840 -0.069 0.000 0.885 398 L CB 0.965 43.037 42.059 0.021 0.000 1.185 398 L HN 0.811 nan 8.230 nan 0.000 0.442 399 L N 5.706 126.593 121.223 -0.561 0.000 2.265 399 L HA 0.715 5.054 4.340 -0.001 0.000 0.288 399 L C -0.237 176.433 176.870 -0.332 0.000 1.058 399 L CA -0.858 53.796 54.840 -0.310 0.000 0.809 399 L CB 1.360 43.366 42.059 -0.089 0.000 1.179 399 L HN 0.448 nan 8.230 nan 0.000 0.429 400 V N 0.469 120.309 119.914 -0.124 0.000 2.823 400 V HA 0.955 5.074 4.120 -0.001 0.000 0.312 400 V C -0.165 175.980 176.094 0.083 0.000 1.072 400 V CA -0.726 61.554 62.300 -0.032 0.000 0.937 400 V CB 1.638 33.461 31.823 -0.000 0.000 1.013 400 V HN 0.765 nan 8.190 nan 0.000 0.430 401 A N 3.922 126.778 122.820 0.060 0.000 2.320 401 A HA 1.080 5.400 4.320 -0.001 0.000 0.334 401 A C -0.804 176.860 177.584 0.133 0.000 1.147 401 A CA -0.585 51.435 52.037 -0.028 0.000 0.820 401 A CB 1.152 20.106 19.000 -0.076 0.000 1.218 401 A HN 1.941 nan 8.150 nan 0.000 0.482 402 F N -1.311 118.610 119.950 -0.048 0.000 2.703 402 F HA 0.505 5.032 4.527 -0.000 0.000 0.308 402 F C -1.318 174.462 175.800 -0.033 0.000 1.126 402 F CA -1.577 56.394 58.000 -0.047 0.000 0.959 402 F CB 0.334 39.297 39.000 -0.062 0.000 1.297 402 F HN 0.388 nan 8.300 nan 0.000 0.441 403 D N 1.277 121.747 120.400 0.118 0.000 2.493 403 D HA 0.465 5.105 4.640 -0.001 0.000 0.240 403 D C 0.367 176.720 176.300 0.087 0.000 1.142 403 D CA 0.952 54.978 54.000 0.044 0.000 0.872 403 D CB 1.205 42.036 40.800 0.052 0.000 1.173 403 D HN 1.044 nan 8.370 nan 0.000 0.467 404 G N 0.000 108.797 108.800 -0.005 0.000 5.446 404 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 404 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 404 G CA 0.000 45.114 45.100 0.024 0.000 0.502 404 G HN 0.000 nan 8.290 nan 0.000 0.925