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 1zzl_1_A DATA FIRST_RESID 4 DATA SEQUENCE ERPTFYRQEL NKTIWEVPER YQNLSPVGSG AYGSVCAAFD TKTGLRVAVK DATA SEQUENCE KLSRPFQSII HAKRTYRELR LLKHMKHENV IGLLDVFTPA RSLEEFNDVY DATA SEQUENCE LVTHLMGADL NNIVKCQKLT DDHVQFLIYQ ILRGLKYIHS ADIIHRDLKP DATA SEQUENCE SNLAVNEDCE LKILDFGLAR HTDDEMTGYV ATRWYRAPEI MLNWMHYNQT DATA SEQUENCE VDIWSVGCIM AELLTGRTLF PGTDHIDQLK LILRLVGTPG AELLKKISSE DATA SEQUENCE SARNYIQSLT QMPKMNFANV FIGANPLAVD LLEKMLVLDS DKRITAAQAL DATA SEQUENCE AHAYFAQYHD PDDEPVADPY DQSFESRDLL IDEWKSLTYD EVISFVPPPL DATA SEQUENCE D 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 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.626 176.600 0.043 0.000 1.382 4 E CA 0.000 56.415 56.400 0.025 0.000 0.976 4 E CB 0.000 29.714 29.700 0.023 0.000 0.812 5 R N 3.503 124.045 120.500 0.069 0.000 2.421 5 R HA 0.192 4.536 4.340 0.006 0.000 0.305 5 R C -1.881 174.488 176.300 0.116 0.000 1.039 5 R CA -0.812 55.361 56.100 0.122 0.000 1.003 5 R CB 0.412 30.800 30.300 0.145 0.000 0.959 5 R HN 0.038 nan 8.270 nan 0.000 0.427 6 P HA 0.035 nan 4.420 nan 0.000 0.271 6 P C -0.706 176.635 177.300 0.068 0.000 1.244 6 P CA -0.177 62.893 63.100 -0.049 0.000 0.793 6 P CB 0.474 31.987 31.700 -0.312 0.000 0.984 7 T N 1.423 115.980 114.554 0.004 0.000 2.817 7 T HA 0.385 4.739 4.350 0.006 0.000 0.293 7 T C -0.117 174.619 174.700 0.061 0.000 0.964 7 T CA 0.215 62.382 62.100 0.112 0.000 1.085 7 T CB -0.228 68.676 68.868 0.060 0.000 0.921 7 T HN 0.110 nan 8.240 nan 0.000 0.502 8 F N 2.726 122.688 119.950 0.020 0.000 2.470 8 F HA 0.579 5.109 4.527 0.005 0.000 0.329 8 F C 0.015 175.884 175.800 0.115 0.000 1.072 8 F CA -1.279 56.726 58.000 0.009 0.000 0.989 8 F CB 1.068 40.039 39.000 -0.048 0.000 1.193 8 F HN 0.563 nan 8.300 nan 0.000 0.481 9 Y N -0.611 119.779 120.300 0.149 0.000 2.536 9 Y HA 0.852 5.405 4.550 0.005 0.000 0.347 9 Y C -1.105 174.883 175.900 0.147 0.000 1.000 9 Y CA -1.824 56.347 58.100 0.118 0.000 1.051 9 Y CB 1.245 39.743 38.460 0.063 0.000 1.259 9 Y HN 0.540 nan 8.280 nan 0.000 0.468 10 R N 2.397 123.005 120.500 0.180 0.000 2.604 10 R HA 0.593 4.936 4.340 0.006 0.000 0.287 10 R C -1.140 175.256 176.300 0.160 0.000 0.970 10 R CA -0.958 55.211 56.100 0.114 0.000 0.946 10 R CB 1.904 32.284 30.300 0.134 0.000 1.127 10 R HN 0.905 nan 8.270 nan 0.000 0.473 11 Q N 0.018 119.905 119.800 0.146 0.000 2.522 11 Q HA 0.314 4.658 4.340 0.006 0.000 0.285 11 Q C -1.515 174.590 176.000 0.175 0.000 0.982 11 Q CA -1.048 54.849 55.803 0.156 0.000 0.805 11 Q CB 1.983 30.813 28.738 0.152 0.000 1.457 11 Q HN 0.566 nan 8.270 nan 0.000 0.394 12 E N 1.759 122.040 120.200 0.136 0.000 2.197 12 E HA 0.537 4.891 4.350 0.006 0.000 0.281 12 E C -1.490 175.161 176.600 0.085 0.000 0.995 12 E CA -0.583 55.903 56.400 0.144 0.000 0.808 12 E CB 0.992 30.758 29.700 0.111 0.000 1.093 12 E HN 0.549 nan 8.360 nan 0.000 0.394 13 L N 4.560 125.842 121.223 0.099 0.000 2.439 13 L HA 0.288 4.632 4.340 0.006 0.000 0.270 13 L C -0.466 176.438 176.870 0.056 0.000 0.972 13 L CA -0.768 54.038 54.840 -0.057 0.000 0.836 13 L CB 1.606 43.395 42.059 -0.449 0.000 1.255 13 L HN 0.721 nan 8.230 nan 0.000 0.404 14 N N 3.545 122.263 118.700 0.030 0.000 2.705 14 N HA -0.223 4.521 4.740 0.006 0.000 0.255 14 N C 0.006 175.578 175.510 0.105 0.000 1.008 14 N CA 0.904 53.992 53.050 0.063 0.000 0.742 14 N CB -0.331 38.194 38.487 0.063 0.000 0.906 14 N HN 0.634 nan 8.380 nan 0.000 0.541 15 K N -4.806 115.650 120.400 0.092 0.000 3.426 15 K HA -0.220 4.103 4.320 0.006 0.000 0.315 15 K C -0.280 176.390 176.600 0.118 0.000 1.293 15 K CA 1.856 58.197 56.287 0.089 0.000 0.955 15 K CB -2.944 29.592 32.500 0.059 0.000 1.238 15 K HN 0.566 nan 8.250 nan 0.000 0.441 16 T N 1.462 116.135 114.554 0.198 0.000 2.895 16 T HA 0.605 4.959 4.350 0.006 0.000 0.283 16 T C 0.718 175.600 174.700 0.304 0.000 1.014 16 T CA -1.023 61.208 62.100 0.219 0.000 1.037 16 T CB 1.919 70.918 68.868 0.219 0.000 1.006 16 T HN 0.027 nan 8.240 nan 0.000 0.468 17 I N 2.322 123.012 120.570 0.200 0.000 2.436 17 I HA 0.103 4.277 4.170 0.006 0.000 0.289 17 I C -0.702 175.587 176.117 0.286 0.000 1.083 17 I CA -0.249 61.188 61.300 0.228 0.000 1.372 17 I CB -0.075 38.008 38.000 0.138 0.000 1.408 17 I HN 0.645 nan 8.210 nan 0.000 0.516 18 W N 5.764 127.141 121.300 0.128 0.000 2.316 18 W HA 0.357 5.022 4.660 0.008 0.000 0.308 18 W C 0.586 177.144 176.519 0.067 0.000 1.106 18 W CA -0.558 56.905 57.345 0.198 0.000 1.262 18 W CB 0.592 30.145 29.460 0.155 0.000 1.233 18 W HN 0.431 nan 8.180 nan 0.000 0.447 19 E N 3.411 123.742 120.200 0.217 0.000 2.073 19 E HA 0.454 4.807 4.350 0.006 0.000 0.269 19 E C -0.977 175.637 176.600 0.024 0.000 0.917 19 E CA -0.498 55.958 56.400 0.093 0.000 0.757 19 E CB 0.840 30.620 29.700 0.133 0.000 1.111 19 E HN 0.340 nan 8.360 nan 0.000 0.410 20 V N 1.640 121.476 119.914 -0.129 0.000 2.962 20 V HA 0.697 4.821 4.120 0.006 0.000 0.313 20 V C -2.761 172.942 176.094 -0.653 0.000 1.099 20 V CA -2.895 59.181 62.300 -0.374 0.000 0.971 20 V CB 1.651 33.362 31.823 -0.188 0.000 1.028 20 V HN 0.515 nan 8.190 nan 0.000 0.430 21 P HA 0.114 nan 4.420 nan 0.000 0.266 21 P C 0.435 177.565 177.300 -0.283 0.000 1.193 21 P CA 0.331 62.858 63.100 -0.957 0.000 0.770 21 P CB 0.326 31.417 31.700 -1.016 0.000 0.836 22 E N 2.937 123.066 120.200 -0.118 0.000 2.338 22 E HA -0.221 4.133 4.350 0.006 0.000 0.197 22 E C 1.703 178.263 176.600 -0.067 0.000 1.007 22 E CA 0.495 56.937 56.400 0.071 0.000 0.849 22 E CB -0.427 29.246 29.700 -0.045 0.000 0.774 22 E HN 0.493 nan 8.360 nan 0.000 0.506 23 R N 0.997 121.324 120.500 -0.288 0.000 2.152 23 R HA -0.135 4.208 4.340 0.006 0.000 0.232 23 R C -0.012 176.053 176.300 -0.391 0.000 1.117 23 R CA 0.886 56.740 56.100 -0.411 0.000 0.981 23 R CB -0.425 29.487 30.300 -0.646 0.000 0.870 23 R HN 0.132 nan 8.270 nan 0.000 0.451 24 Y N 2.255 122.541 120.300 -0.023 0.000 2.404 24 Y HA 0.320 4.873 4.550 0.004 0.000 0.344 24 Y C 0.135 176.142 175.900 0.178 0.000 0.970 24 Y CA -0.770 57.352 58.100 0.037 0.000 1.180 24 Y CB 0.978 39.445 38.460 0.012 0.000 1.138 24 Y HN -0.005 nan 8.280 nan 0.000 0.510 25 Q N 2.191 122.175 119.800 0.307 0.000 2.301 25 Q HA 0.345 4.688 4.340 0.006 0.000 0.267 25 Q C -0.125 176.023 176.000 0.247 0.000 1.035 25 Q CA -0.798 55.167 55.803 0.270 0.000 0.856 25 Q CB 1.624 30.485 28.738 0.205 0.000 1.337 25 Q HN 0.720 nan 8.270 nan 0.000 0.450 26 N N 0.228 119.038 118.700 0.182 0.000 2.756 26 N HA -0.187 4.557 4.740 0.006 0.000 0.248 26 N C -0.912 174.650 175.510 0.086 0.000 1.062 26 N CA 0.325 53.444 53.050 0.116 0.000 0.696 26 N CB -1.517 37.026 38.487 0.094 0.000 0.946 26 N HN 0.363 nan 8.380 nan 0.000 0.548 27 L N 0.266 121.529 121.223 0.067 0.000 2.453 27 L HA 0.316 4.660 4.340 0.006 0.000 0.272 27 L C 0.921 177.736 176.870 -0.091 0.000 1.182 27 L CA 0.773 55.589 54.840 -0.041 0.000 0.858 27 L CB 1.129 43.111 42.059 -0.129 0.000 1.120 27 L HN 0.287 nan 8.230 nan 0.000 0.474 28 S N 4.065 119.692 115.700 -0.122 0.000 2.649 28 S HA 0.577 5.050 4.470 0.006 0.000 0.274 28 S C -2.734 171.790 174.600 -0.127 0.000 1.176 28 S CA -1.235 56.904 58.200 -0.102 0.000 0.988 28 S CB 1.358 64.535 63.200 -0.038 0.000 1.071 28 S HN 0.259 nan 8.310 nan 0.000 0.478 29 P HA 0.167 nan 4.420 nan 0.000 0.265 29 P C -1.046 176.239 177.300 -0.025 0.000 1.187 29 P CA -0.112 62.931 63.100 -0.095 0.000 0.766 29 P CB 0.481 32.139 31.700 -0.070 0.000 0.820 30 V N 0.829 120.754 119.914 0.019 0.000 3.078 30 V HA 0.723 4.847 4.120 0.006 0.000 0.311 30 V C 1.034 177.229 176.094 0.168 0.000 1.138 30 V CA -0.093 62.250 62.300 0.071 0.000 1.007 30 V CB 1.303 33.157 31.823 0.053 0.000 1.045 30 V HN 0.766 nan 8.190 nan 0.000 0.432 31 G N 1.325 110.252 108.800 0.212 0.000 2.179 31 G HA2 -0.246 3.718 3.960 0.006 0.000 0.260 31 G HA3 -0.246 3.718 3.960 0.006 0.000 0.260 31 G C 0.498 175.408 174.900 0.018 0.000 0.977 31 G CA 0.548 45.811 45.100 0.271 0.000 0.641 31 G HN 1.646 nan 8.290 nan 0.000 0.533 32 S N -1.596 114.121 115.700 0.028 0.000 3.559 32 S HA 0.054 4.528 4.470 0.006 0.000 0.369 32 S C 2.670 177.242 174.600 -0.046 0.000 0.987 32 S CA 2.051 60.244 58.200 -0.011 0.000 1.187 32 S CB -1.353 61.835 63.200 -0.020 0.000 0.914 32 S HN 2.711 nan 8.310 nan 0.000 0.480 33 G N -0.335 108.448 108.800 -0.029 0.000 2.212 33 G HA2 -0.278 3.686 3.960 0.006 0.000 0.266 33 G HA3 -0.278 3.686 3.960 0.006 0.000 0.266 33 G C 0.984 175.807 174.900 -0.128 0.000 0.978 33 G CA 0.999 46.071 45.100 -0.046 0.000 0.632 33 G HN 1.717 nan 8.290 nan 0.000 0.537 34 A N -0.720 121.932 122.820 -0.279 0.000 2.015 34 A HA 0.309 4.633 4.320 0.006 0.000 0.219 34 A C 1.796 179.036 177.584 -0.573 0.000 1.163 34 A CA 2.037 53.777 52.037 -0.496 0.000 0.646 34 A CB -0.325 18.244 19.000 -0.718 0.000 0.806 34 A HN 0.789 nan 8.150 nan 0.000 0.448 35 Y N -0.870 119.417 120.300 -0.022 0.000 2.458 35 Y HA 0.430 4.983 4.550 0.005 0.000 0.256 35 Y C 1.537 177.417 175.900 -0.034 0.000 1.159 35 Y CA -0.125 57.958 58.100 -0.028 0.000 1.261 35 Y CB -0.263 38.185 38.460 -0.019 0.000 1.119 35 Y HN 0.504 nan 8.280 nan 0.000 0.524 36 G N -0.354 108.480 108.800 0.057 0.000 2.548 36 G HA2 -0.202 3.761 3.960 0.006 0.000 0.208 36 G HA3 -0.202 3.761 3.960 0.006 0.000 0.208 36 G C -0.438 174.509 174.900 0.078 0.000 1.308 36 G CA -0.582 44.536 45.100 0.030 0.000 0.924 36 G HN -0.020 nan 8.290 nan 0.000 0.540 37 S N 0.389 116.136 115.700 0.078 0.000 3.065 37 S HA 0.478 4.951 4.470 0.006 0.000 0.311 37 S C 0.194 174.990 174.600 0.327 0.000 1.204 37 S CA 0.006 58.328 58.200 0.202 0.000 1.040 37 S CB 0.132 63.439 63.200 0.178 0.000 1.436 37 S HN 1.007 nan 8.310 nan 0.000 0.532 38 V N 2.506 122.571 119.914 0.252 0.000 2.656 38 V HA 0.480 4.604 4.120 0.006 0.000 0.307 38 V C -0.111 176.021 176.094 0.064 0.000 1.051 38 V CA -0.790 61.634 62.300 0.207 0.000 0.893 38 V CB 1.842 33.747 31.823 0.136 0.000 0.999 38 V HN 0.695 nan 8.190 nan 0.000 0.426 39 C N 3.270 122.559 119.300 -0.020 0.000 2.498 39 C HA 0.830 5.293 4.460 0.006 0.000 0.316 39 C C 0.689 175.638 174.990 -0.068 0.000 1.209 39 C CA -0.839 58.078 59.018 -0.169 0.000 1.518 39 C CB 1.239 28.694 27.740 -0.475 0.000 2.147 39 C HN 1.033 nan 8.230 nan 0.000 0.483 40 A N 2.362 125.153 122.820 -0.049 0.000 2.401 40 A HA 0.778 5.101 4.320 0.006 0.000 0.259 40 A C 0.120 177.710 177.584 0.010 0.000 1.103 40 A CA 0.234 52.268 52.037 -0.006 0.000 0.789 40 A CB 0.303 19.309 19.000 0.010 0.000 1.035 40 A HN 1.461 nan 8.150 nan 0.000 0.491 41 A N 1.220 124.073 122.820 0.055 0.000 2.564 41 A HA 0.731 5.054 4.320 0.006 0.000 0.288 41 A C -1.203 176.500 177.584 0.198 0.000 1.164 41 A CA -0.503 51.608 52.037 0.123 0.000 0.712 41 A CB 0.841 19.916 19.000 0.125 0.000 1.303 41 A HN 1.327 nan 8.150 nan 0.000 0.418 42 F N 1.408 121.420 119.950 0.104 0.000 2.404 42 F HA 0.494 5.025 4.527 0.006 0.000 0.354 42 F C -0.243 175.644 175.800 0.145 0.000 1.122 42 F CA -0.835 57.222 58.000 0.095 0.000 1.080 42 F CB 1.079 40.112 39.000 0.054 0.000 1.131 42 F HN 0.520 nan 8.300 nan 0.000 0.471 43 D N 4.100 124.189 120.400 -0.519 0.000 2.380 43 D HA 0.092 4.735 4.640 0.006 0.000 0.230 43 D C 1.139 176.979 176.300 -0.766 0.000 1.154 43 D CA -0.004 53.752 54.000 -0.407 0.000 0.859 43 D CB 1.175 41.902 40.800 -0.123 0.000 1.045 43 D HN 0.674 nan 8.370 nan 0.000 0.495 44 T N 1.056 115.316 114.554 -0.491 0.000 3.035 44 T HA -0.044 4.309 4.350 0.006 0.000 0.268 44 T C 1.444 176.017 174.700 -0.210 0.000 1.109 44 T CA 0.659 62.601 62.100 -0.263 0.000 1.119 44 T CB 0.094 68.946 68.868 -0.026 0.000 0.900 44 T HN 0.273 nan 8.240 nan 0.000 0.503 45 K N 1.075 121.317 120.400 -0.263 0.000 2.137 45 K HA 0.014 4.338 4.320 0.006 0.000 0.202 45 K C 2.512 179.028 176.600 -0.141 0.000 1.052 45 K CA 1.620 57.798 56.287 -0.181 0.000 0.961 45 K CB -0.042 32.340 32.500 -0.197 0.000 0.741 45 K HN 0.622 nan 8.250 nan 0.000 0.452 46 T N -3.696 110.753 114.554 -0.174 0.000 2.990 46 T HA 0.174 4.527 4.350 0.006 0.000 0.250 46 T C 1.398 176.026 174.700 -0.120 0.000 1.041 46 T CA 0.533 62.566 62.100 -0.113 0.000 1.010 46 T CB 0.635 69.449 68.868 -0.090 0.000 1.003 46 T HN 0.276 nan 8.240 nan 0.000 0.499 47 G N 1.659 110.310 108.800 -0.248 0.000 2.155 47 G HA2 -0.228 3.736 3.960 0.006 0.000 0.257 47 G HA3 -0.228 3.736 3.960 0.006 0.000 0.257 47 G C -0.071 174.728 174.900 -0.168 0.000 0.983 47 G CA 0.482 45.444 45.100 -0.229 0.000 0.676 47 G HN 0.662 nan 8.290 nan 0.000 0.528 48 L N -0.246 120.856 121.223 -0.202 0.000 2.399 48 L HA 0.553 4.897 4.340 0.006 0.000 0.266 48 L C 1.272 178.098 176.870 -0.074 0.000 1.114 48 L CA -1.032 53.774 54.840 -0.056 0.000 0.804 48 L CB 0.731 42.776 42.059 -0.023 0.000 1.146 48 L HN 0.042 nan 8.230 nan 0.000 0.451 49 R N 1.509 122.056 120.500 0.080 0.000 2.347 49 R HA 0.410 4.753 4.340 0.006 0.000 0.304 49 R C -0.624 175.707 176.300 0.052 0.000 1.072 49 R CA -0.326 55.840 56.100 0.109 0.000 0.980 49 R CB 0.916 31.300 30.300 0.142 0.000 0.986 49 R HN 0.525 nan 8.270 nan 0.000 0.448 50 V N -0.885 119.049 119.914 0.034 0.000 3.074 50 V HA 0.892 5.016 4.120 0.006 0.000 0.314 50 V C -0.520 175.568 176.094 -0.010 0.000 1.117 50 V CA -1.244 61.052 62.300 -0.007 0.000 1.014 50 V CB 2.044 33.851 31.823 -0.028 0.000 1.057 50 V HN 0.773 nan 8.190 nan 0.000 0.438 51 A N 1.981 124.783 122.820 -0.030 0.000 2.303 51 A HA 0.823 5.146 4.320 0.006 0.000 0.320 51 A C -0.658 176.908 177.584 -0.030 0.000 1.192 51 A CA -0.621 51.399 52.037 -0.029 0.000 0.821 51 A CB 1.261 20.233 19.000 -0.047 0.000 1.188 51 A HN 1.291 nan 8.150 nan 0.000 0.492 52 V N 3.268 123.193 119.914 0.019 0.000 2.357 52 V HA 0.367 4.491 4.120 0.006 0.000 0.284 52 V C 0.159 176.397 176.094 0.239 0.000 1.018 52 V CA -0.543 61.808 62.300 0.085 0.000 0.841 52 V CB 1.265 33.178 31.823 0.151 0.000 0.991 52 V HN 0.896 nan 8.190 nan 0.000 0.437 53 K N 4.516 124.968 120.400 0.087 0.000 2.213 53 K HA 0.447 4.771 4.320 0.006 0.000 0.270 53 K C -0.298 176.179 176.600 -0.204 0.000 1.002 53 K CA -0.672 55.643 56.287 0.046 0.000 0.868 53 K CB 1.053 33.525 32.500 -0.048 0.000 1.093 53 K HN 0.612 nan 8.250 nan 0.000 0.454 54 K N 6.493 126.637 120.400 -0.427 0.000 2.264 54 K HA 0.201 4.525 4.320 0.006 0.000 0.277 54 K C -0.474 175.756 176.600 -0.616 0.000 1.067 54 K CA -0.518 55.177 56.287 -0.987 0.000 0.900 54 K CB 0.494 31.967 32.500 -1.712 0.000 1.124 54 K HN 0.637 nan 8.250 nan 0.000 0.469 55 L N 3.872 124.750 121.223 -0.575 0.000 2.499 55 L HA -0.006 4.337 4.340 0.006 0.000 0.273 55 L C 0.543 177.164 176.870 -0.415 0.000 1.195 55 L CA 0.026 54.607 54.840 -0.432 0.000 0.882 55 L CB 0.596 42.396 42.059 -0.432 0.000 1.133 55 L HN 0.732 nan 8.230 nan 0.000 0.483 56 S N 4.503 120.017 115.700 -0.309 0.000 2.513 56 S HA 0.355 4.828 4.470 0.006 0.000 0.276 56 S C 0.381 174.842 174.600 -0.232 0.000 1.254 56 S CA -0.921 57.133 58.200 -0.245 0.000 1.053 56 S CB 1.445 64.547 63.200 -0.162 0.000 0.958 56 S HN 0.655 nan 8.310 nan 0.000 0.491 57 R N 0.857 121.237 120.500 -0.199 0.000 3.188 57 R HA -0.100 4.244 4.340 0.006 0.000 0.247 57 R C -2.004 174.175 176.300 -0.201 0.000 0.918 57 R CA 0.711 56.731 56.100 -0.134 0.000 0.629 57 R CB -2.194 28.096 30.300 -0.016 0.000 1.087 57 R HN 0.696 nan 8.270 nan 0.000 0.462 58 P HA -0.107 nan 4.420 nan 0.000 0.221 58 P C 0.505 177.320 177.300 -0.808 0.000 1.150 58 P CA 1.225 63.855 63.100 -0.782 0.000 0.800 58 P CB 0.081 31.048 31.700 -1.222 0.000 0.787 59 F N -0.778 119.137 119.950 -0.057 0.000 2.814 59 F HA 0.338 4.868 4.527 0.006 0.000 0.326 59 F C 2.153 177.939 175.800 -0.023 0.000 1.159 59 F CA -0.828 57.155 58.000 -0.029 0.000 1.234 59 F CB -0.685 38.273 39.000 -0.070 0.000 1.016 59 F HN -0.136 nan 8.300 nan 0.000 0.510 60 Q N 1.296 121.135 119.800 0.064 0.000 2.124 60 Q HA -0.088 4.255 4.340 0.006 0.000 0.202 60 Q C 0.841 176.798 176.000 -0.072 0.000 0.977 60 Q CA 1.630 57.419 55.803 -0.023 0.000 0.850 60 Q CB 0.300 28.996 28.738 -0.070 0.000 0.901 60 Q HN 0.392 nan 8.270 nan 0.000 0.429 61 S N -2.420 113.232 115.700 -0.079 0.000 2.685 61 S HA 0.327 4.801 4.470 0.006 0.000 0.282 61 S C 0.772 175.401 174.600 0.048 0.000 1.159 61 S CA -0.819 57.340 58.200 -0.068 0.000 0.833 61 S CB 0.349 63.419 63.200 -0.218 0.000 1.151 61 S HN 0.261 nan 8.310 nan 0.000 0.485 62 I N 0.773 121.385 120.570 0.070 0.000 2.226 62 I HA -0.138 4.036 4.170 0.006 0.000 0.245 62 I C 2.147 178.289 176.117 0.041 0.000 1.100 62 I CA 1.401 62.790 61.300 0.147 0.000 1.374 62 I CB -0.382 37.724 38.000 0.176 0.000 1.057 62 I HN 0.616 nan 8.210 nan 0.000 0.413 63 I N -0.045 120.542 120.570 0.027 0.000 2.179 63 I HA -0.334 3.840 4.170 0.006 0.000 0.242 63 I C 2.576 178.743 176.117 0.083 0.000 1.088 63 I CA 1.467 62.782 61.300 0.025 0.000 1.357 63 I CB -0.405 37.625 38.000 0.051 0.000 1.051 63 I HN 0.245 nan 8.210 nan 0.000 0.409 64 H N 0.394 119.410 119.070 -0.090 0.000 2.326 64 H HA -0.052 4.507 4.556 0.006 0.000 0.301 64 H C 2.266 177.519 175.328 -0.124 0.000 1.081 64 H CA 1.180 57.158 56.048 -0.117 0.000 1.334 64 H CB -0.791 28.905 29.762 -0.111 0.000 1.385 64 H HN 0.322 nan 8.280 nan 0.000 0.504 65 A N 1.082 123.968 122.820 0.110 0.000 1.903 65 A HA -0.327 3.997 4.320 0.006 0.000 0.219 65 A C 2.310 179.876 177.584 -0.030 0.000 1.191 65 A CA 2.468 54.633 52.037 0.214 0.000 0.638 65 A CB -0.605 18.620 19.000 0.376 0.000 0.823 65 A HN 0.475 nan 8.150 nan 0.000 0.451 66 K N -0.859 119.271 120.400 -0.449 0.000 2.062 66 K HA -0.097 4.226 4.320 0.006 0.000 0.205 66 K C 2.302 178.721 176.600 -0.302 0.000 1.051 66 K CA 1.147 56.924 56.287 -0.850 0.000 0.941 66 K CB -0.192 31.611 32.500 -1.163 0.000 0.719 66 K HN 0.420 nan 8.250 nan 0.000 0.440 67 R N 0.031 120.410 120.500 -0.202 0.000 2.091 67 R HA -0.099 4.244 4.340 0.006 0.000 0.238 67 R C 2.284 178.503 176.300 -0.136 0.000 1.136 67 R CA 2.043 58.054 56.100 -0.149 0.000 0.959 67 R CB -0.434 29.752 30.300 -0.191 0.000 0.856 67 R HN 0.286 nan 8.270 nan 0.000 0.437 68 T N 0.209 114.683 114.554 -0.133 0.000 2.622 68 T HA -0.235 4.119 4.350 0.006 0.000 0.266 68 T C 1.442 176.151 174.700 0.015 0.000 1.047 68 T CA 1.684 63.717 62.100 -0.111 0.000 1.159 68 T CB -0.530 68.221 68.868 -0.196 0.000 0.863 68 T HN 0.299 nan 8.240 nan 0.000 0.422 69 Y N 2.286 122.574 120.300 -0.021 0.000 2.114 69 Y HA -0.215 4.338 4.550 0.006 0.000 0.282 69 Y C 2.714 178.534 175.900 -0.134 0.000 1.165 69 Y CA 1.848 59.932 58.100 -0.027 0.000 1.148 69 Y CB -0.338 38.130 38.460 0.015 0.000 0.972 69 Y HN 0.013 nan 8.280 nan 0.000 0.504 70 R N 0.400 120.813 120.500 -0.145 0.000 2.083 70 R HA -0.227 4.116 4.340 0.006 0.000 0.237 70 R C 2.360 178.610 176.300 -0.083 0.000 1.137 70 R CA 2.040 58.096 56.100 -0.073 0.000 0.951 70 R CB -0.557 29.837 30.300 0.158 0.000 0.851 70 R HN 0.544 nan 8.270 nan 0.000 0.434 71 E N 0.145 120.282 120.200 -0.105 0.000 2.110 71 E HA -0.211 4.142 4.350 0.006 0.000 0.193 71 E C 2.002 178.533 176.600 -0.115 0.000 0.988 71 E CA 1.172 57.494 56.400 -0.130 0.000 0.804 71 E CB -0.022 29.580 29.700 -0.163 0.000 0.745 71 E HN 0.283 nan 8.360 nan 0.000 0.458 72 L N 1.053 122.199 121.223 -0.128 0.000 2.072 72 L HA -0.103 4.240 4.340 0.006 0.000 0.205 72 L C 2.219 179.036 176.870 -0.088 0.000 1.079 72 L CA 1.467 56.250 54.840 -0.095 0.000 0.752 72 L CB -0.340 41.685 42.059 -0.056 0.000 0.906 72 L HN -0.036 nan 8.230 nan 0.000 0.436 73 R N -0.404 119.953 120.500 -0.237 0.000 2.096 73 R HA -0.145 4.199 4.340 0.006 0.000 0.240 73 R C 2.168 178.559 176.300 0.152 0.000 1.139 73 R CA 1.403 57.431 56.100 -0.120 0.000 0.952 73 R CB -1.268 28.787 30.300 -0.409 0.000 0.854 73 R HN 0.319 nan 8.270 nan 0.000 0.436 74 L N 0.878 122.169 121.223 0.112 0.000 2.012 74 L HA -0.132 4.211 4.340 0.006 0.000 0.210 74 L C 2.471 179.491 176.870 0.250 0.000 1.073 74 L CA 1.483 56.392 54.840 0.116 0.000 0.748 74 L CB -1.124 40.994 42.059 0.098 0.000 0.891 74 L HN 0.141 nan 8.230 nan 0.000 0.431 75 L N -1.041 120.286 121.223 0.173 0.000 2.056 75 L HA -0.225 4.119 4.340 0.006 0.000 0.207 75 L C 2.476 179.477 176.870 0.218 0.000 1.078 75 L CA 1.131 56.092 54.840 0.200 0.000 0.749 75 L CB -0.481 41.616 42.059 0.063 0.000 0.901 75 L HN 0.222 nan 8.230 nan 0.000 0.433 76 K N -0.976 119.548 120.400 0.207 0.000 2.147 76 K HA -0.227 4.097 4.320 0.006 0.000 0.205 76 K C 2.018 178.776 176.600 0.264 0.000 1.049 76 K CA 1.355 57.803 56.287 0.267 0.000 0.936 76 K CB -0.192 32.462 32.500 0.256 0.000 0.722 76 K HN 0.331 nan 8.250 nan 0.000 0.446 77 H N -0.290 118.885 119.070 0.175 0.000 2.470 77 H HA 0.097 4.656 4.556 0.006 0.000 0.289 77 H C 0.142 175.570 175.328 0.166 0.000 1.033 77 H CA 0.480 56.627 56.048 0.165 0.000 1.331 77 H CB 0.352 30.199 29.762 0.141 0.000 1.414 77 H HN -0.095 nan 8.280 nan 0.000 0.545 78 M N 1.600 121.354 119.600 0.257 0.000 2.146 78 M HA 0.170 4.654 4.480 0.006 0.000 0.352 78 M C -0.665 175.717 176.300 0.137 0.000 1.343 78 M CA 0.471 55.916 55.300 0.242 0.000 1.115 78 M CB 0.920 33.590 32.600 0.116 0.000 1.657 78 M HN 0.124 nan 8.290 nan 0.000 0.471 79 K N 2.826 123.281 120.400 0.092 0.000 2.752 79 K HA 0.329 4.652 4.320 0.006 0.000 0.199 79 K C -1.050 175.394 176.600 -0.259 0.000 1.069 79 K CA -0.306 55.965 56.287 -0.027 0.000 1.033 79 K CB 1.006 33.525 32.500 0.031 0.000 1.229 79 K HN 0.551 nan 8.250 nan 0.000 0.572 80 H N 0.857 119.640 119.070 -0.479 0.000 3.038 80 H HA 0.136 4.695 4.556 0.006 0.000 0.362 80 H C -0.123 174.993 175.328 -0.354 0.000 1.167 80 H CA -0.353 55.327 56.048 -0.613 0.000 1.197 80 H CB 1.659 30.680 29.762 -1.236 0.000 1.840 80 H HN 0.429 nan 8.280 nan 0.000 0.540 81 E N 2.071 121.974 120.200 -0.495 0.000 2.204 81 E HA -0.139 4.215 4.350 0.006 0.000 0.195 81 E C 0.234 176.759 176.600 -0.124 0.000 0.990 81 E CA 1.124 57.357 56.400 -0.278 0.000 0.821 81 E CB 0.207 29.726 29.700 -0.301 0.000 0.750 81 E HN 0.499 nan 8.360 nan 0.000 0.477 82 N N -0.212 118.556 118.700 0.112 0.000 2.238 82 N HA 0.077 4.820 4.740 0.006 0.000 0.222 82 N C -1.224 174.256 175.510 -0.050 0.000 1.133 82 N CA -0.202 52.853 53.050 0.008 0.000 0.854 82 N CB 1.289 39.765 38.487 -0.018 0.000 1.041 82 N HN -0.165 nan 8.380 nan 0.000 0.510 83 V N 1.270 121.161 119.914 -0.039 0.000 2.638 83 V HA 0.289 4.413 4.120 0.006 0.000 0.306 83 V C -0.192 175.921 176.094 0.032 0.000 1.052 83 V CA -0.986 61.273 62.300 -0.069 0.000 0.885 83 V CB 2.189 33.865 31.823 -0.245 0.000 0.999 83 V HN 0.082 nan 8.190 nan 0.000 0.424 84 I N 4.046 124.715 120.570 0.164 0.000 2.662 84 I HA 0.322 4.495 4.170 0.006 0.000 0.285 84 I C 0.998 177.263 176.117 0.247 0.000 1.161 84 I CA 1.149 62.568 61.300 0.198 0.000 1.415 84 I CB 0.449 38.562 38.000 0.188 0.000 1.385 84 I HN 0.857 nan 8.210 nan 0.000 0.552 85 G N 6.861 115.780 108.800 0.199 0.000 3.251 85 G HA2 0.647 4.611 3.960 0.006 0.000 0.248 85 G HA3 0.647 4.611 3.960 0.006 0.000 0.248 85 G C -1.018 173.976 174.900 0.157 0.000 1.320 85 G CA -0.731 44.487 45.100 0.197 0.000 0.982 85 G HN 0.402 nan 8.290 nan 0.000 0.575 86 L N 1.053 122.376 121.223 0.166 0.000 2.272 86 L HA 0.371 4.715 4.340 0.006 0.000 0.289 86 L C 0.931 177.908 176.870 0.179 0.000 1.032 86 L CA -0.502 54.394 54.840 0.093 0.000 0.810 86 L CB 1.797 43.865 42.059 0.015 0.000 1.205 86 L HN 0.431 nan 8.230 nan 0.000 0.422 87 L N 1.747 123.003 121.223 0.055 0.000 2.202 87 L HA 0.156 4.500 4.340 0.006 0.000 0.205 87 L C 0.098 177.080 176.870 0.187 0.000 1.083 87 L CA 0.891 55.789 54.840 0.098 0.000 0.790 87 L CB 0.134 42.158 42.059 -0.059 0.000 0.942 87 L HN 0.607 nan 8.230 nan 0.000 0.452 88 D N -1.822 118.545 120.400 -0.056 0.000 2.736 88 D HA 0.412 5.055 4.640 0.006 0.000 0.223 88 D C -1.593 174.432 176.300 -0.459 0.000 1.231 88 D CA -0.189 53.718 54.000 -0.155 0.000 0.818 88 D CB 2.944 43.892 40.800 0.246 0.000 1.587 88 D HN -0.285 nan 8.370 nan 0.000 0.463 89 V N 3.742 123.306 119.914 -0.584 0.000 2.638 89 V HA 0.886 5.010 4.120 0.006 0.000 0.306 89 V C -1.553 174.542 176.094 0.002 0.000 1.052 89 V CA -0.454 61.632 62.300 -0.357 0.000 0.885 89 V CB 1.044 32.601 31.823 -0.443 0.000 0.999 89 V HN 0.505 nan 8.190 nan 0.000 0.424 90 F N 2.720 122.721 119.950 0.086 0.000 2.662 90 F HA 0.906 5.436 4.527 0.006 0.000 0.312 90 F C -0.649 175.346 175.800 0.324 0.000 1.113 90 F CA -0.697 57.425 58.000 0.203 0.000 0.951 90 F CB 1.816 40.966 39.000 0.251 0.000 1.344 90 F HN 0.527 nan 8.300 nan 0.000 0.462 91 T N 0.505 115.415 114.554 0.594 0.000 2.909 91 T HA 0.534 4.888 4.350 0.006 0.000 0.299 91 T C -2.468 172.406 174.700 0.290 0.000 1.073 91 T CA -1.945 60.482 62.100 0.545 0.000 0.999 91 T CB 1.938 71.142 68.868 0.561 0.000 1.098 91 T HN 0.480 nan 8.240 nan 0.000 0.477 92 P HA 0.225 nan 4.420 nan 0.000 0.229 92 P C 0.098 177.222 177.300 -0.295 0.000 1.160 92 P CA 0.127 62.818 63.100 -0.680 0.000 0.777 92 P CB -0.072 31.382 31.700 -0.410 0.000 0.814 93 A N 0.651 123.491 122.820 0.034 0.000 2.483 93 A HA 0.080 4.404 4.320 0.006 0.000 0.238 93 A C 1.059 178.702 177.584 0.098 0.000 1.070 93 A CA 0.062 52.169 52.037 0.117 0.000 0.770 93 A CB 0.109 19.305 19.000 0.326 0.000 1.008 93 A HN 0.137 nan 8.150 nan 0.000 0.497 94 R N 0.751 121.294 120.500 0.072 0.000 2.365 94 R HA 0.198 4.542 4.340 0.006 0.000 0.223 94 R C 0.141 176.509 176.300 0.114 0.000 0.899 94 R CA 0.750 56.898 56.100 0.080 0.000 1.059 94 R CB 0.149 30.471 30.300 0.037 0.000 1.086 94 R HN 0.739 nan 8.270 nan 0.000 0.522 95 S N -0.876 114.875 115.700 0.086 0.000 2.607 95 S HA 0.203 4.676 4.470 0.006 0.000 0.273 95 S C 0.360 174.786 174.600 -0.290 0.000 1.148 95 S CA -0.954 57.244 58.200 -0.004 0.000 0.833 95 S CB 1.525 64.704 63.200 -0.035 0.000 1.130 95 S HN 0.008 nan 8.310 nan 0.000 0.470 96 L N 1.250 122.041 121.223 -0.720 0.000 2.089 96 L HA -0.057 4.287 4.340 0.006 0.000 0.213 96 L C 2.147 178.825 176.870 -0.321 0.000 1.079 96 L CA 2.289 56.582 54.840 -0.913 0.000 0.758 96 L CB -1.111 40.525 42.059 -0.706 0.000 0.891 96 L HN 0.857 nan 8.230 nan 0.000 0.433 97 E N 0.356 120.440 120.200 -0.194 0.000 2.077 97 E HA -0.223 4.131 4.350 0.006 0.000 0.193 97 E C 1.938 178.506 176.600 -0.053 0.000 0.989 97 E CA 1.731 58.070 56.400 -0.101 0.000 0.800 97 E CB -0.358 29.298 29.700 -0.073 0.000 0.746 97 E HN 0.818 nan 8.360 nan 0.000 0.452 98 E N -0.129 120.055 120.200 -0.027 0.000 2.476 98 E HA -0.023 4.331 4.350 0.006 0.000 0.191 98 E C -0.201 176.460 176.600 0.101 0.000 1.064 98 E CA -0.372 56.041 56.400 0.022 0.000 0.866 98 E CB -0.216 29.497 29.700 0.023 0.000 0.952 98 E HN 0.066 nan 8.360 nan 0.000 0.492 99 F N 2.765 122.656 119.950 -0.099 0.000 2.502 99 F HA 0.152 4.682 4.527 0.006 0.000 0.371 99 F C 0.529 176.355 175.800 0.044 0.000 1.083 99 F CA -0.433 57.557 58.000 -0.017 0.000 1.174 99 F CB 0.333 39.250 39.000 -0.139 0.000 1.096 99 F HN -0.096 nan 8.300 nan 0.000 0.545 100 N N 3.003 121.616 118.700 -0.146 0.000 2.428 100 N HA 0.025 4.768 4.740 0.006 0.000 0.249 100 N C -0.913 174.461 175.510 -0.227 0.000 1.092 100 N CA 0.010 52.950 53.050 -0.182 0.000 0.833 100 N CB 0.495 38.947 38.487 -0.058 0.000 1.575 100 N HN 0.461 nan 8.380 nan 0.000 0.476 101 D N 1.284 121.599 120.400 -0.142 0.000 2.252 101 D HA 0.449 5.093 4.640 0.006 0.000 0.245 101 D C -0.393 175.882 176.300 -0.042 0.000 1.009 101 D CA -0.323 53.568 54.000 -0.181 0.000 0.870 101 D CB 3.221 43.923 40.800 -0.163 0.000 1.251 101 D HN -0.268 nan 8.370 nan 0.000 0.460 102 V N 1.875 121.642 119.914 -0.245 0.000 2.487 102 V HA 0.347 4.471 4.120 0.006 0.000 0.298 102 V C -1.155 174.668 176.094 -0.452 0.000 1.028 102 V CA -0.790 61.438 62.300 -0.120 0.000 0.860 102 V CB 1.084 32.868 31.823 -0.065 0.000 0.991 102 V HN 0.393 nan 8.190 nan 0.000 0.427 103 Y N 4.642 124.647 120.300 -0.492 0.000 2.364 103 Y HA 0.760 5.313 4.550 0.005 0.000 0.340 103 Y C -0.135 175.343 175.900 -0.703 0.000 0.975 103 Y CA -0.819 56.831 58.100 -0.751 0.000 1.089 103 Y CB 1.773 39.414 38.460 -1.364 0.000 1.192 103 Y HN 0.452 nan 8.280 nan 0.000 0.454 104 L N 3.686 124.712 121.223 -0.328 0.000 2.346 104 L HA 0.868 5.211 4.340 0.006 0.000 0.274 104 L C -0.993 175.758 176.870 -0.199 0.000 1.007 104 L CA -1.151 53.530 54.840 -0.266 0.000 0.818 104 L CB 1.908 43.845 42.059 -0.204 0.000 1.284 104 L HN 0.272 nan 8.230 nan 0.000 0.424 105 V N 0.929 120.734 119.914 -0.182 0.000 2.638 105 V HA 0.721 4.844 4.120 0.006 0.000 0.306 105 V C -0.225 175.808 176.094 -0.101 0.000 1.052 105 V CA -0.279 61.939 62.300 -0.138 0.000 0.885 105 V CB 2.019 33.760 31.823 -0.136 0.000 0.999 105 V HN 0.895 nan 8.190 nan 0.000 0.424 106 T N 1.715 116.219 114.554 -0.083 0.000 2.681 106 T HA 0.517 4.870 4.350 0.006 0.000 0.296 106 T C -0.954 173.699 174.700 -0.078 0.000 1.157 106 T CA -0.567 61.494 62.100 -0.065 0.000 1.025 106 T CB 1.148 70.033 68.868 0.028 0.000 1.441 106 T HN 0.773 nan 8.240 nan 0.000 0.504 107 H N 0.706 119.777 119.070 0.002 0.000 2.815 107 H HA 0.423 4.983 4.556 0.006 0.000 0.350 107 H C -0.100 175.216 175.328 -0.020 0.000 1.080 107 H CA -0.096 55.951 56.048 -0.001 0.000 1.433 107 H CB 0.338 30.100 29.762 -0.001 0.000 1.432 107 H HN 0.256 nan 8.280 nan 0.000 0.592 108 L N 3.442 124.725 121.223 0.100 0.000 2.257 108 L HA 0.128 4.471 4.340 0.006 0.000 0.290 108 L C 0.383 177.276 176.870 0.039 0.000 1.044 108 L CA -0.188 54.672 54.840 0.034 0.000 0.810 108 L CB 0.751 42.824 42.059 0.025 0.000 1.193 108 L HN 0.698 nan 8.230 nan 0.000 0.425 109 M N 2.958 122.556 119.600 -0.002 0.000 2.325 109 M HA 0.289 4.773 4.480 0.006 0.000 0.265 109 M C 1.554 177.847 176.300 -0.011 0.000 1.094 109 M CA 1.208 56.503 55.300 -0.009 0.000 1.161 109 M CB -0.978 31.600 32.600 -0.037 0.000 1.358 109 M HN 0.895 nan 8.290 nan 0.000 0.446 110 G N -0.231 108.549 108.800 -0.034 0.000 2.339 110 G HA2 -0.061 3.902 3.960 0.006 0.000 0.209 110 G HA3 -0.061 3.902 3.960 0.006 0.000 0.209 110 G C 0.231 175.125 174.900 -0.010 0.000 1.015 110 G CA 0.234 45.326 45.100 -0.015 0.000 0.635 110 G HN 0.857 nan 8.290 nan 0.000 0.499 111 A N -0.165 122.647 122.820 -0.014 0.000 2.593 111 A HA 0.742 5.066 4.320 0.006 0.000 0.290 111 A C -0.998 176.585 177.584 -0.000 0.000 1.126 111 A CA 0.457 52.501 52.037 0.012 0.000 0.695 111 A CB 1.250 20.268 19.000 0.029 0.000 1.290 111 A HN 1.066 nan 8.150 nan 0.000 0.414 112 D N -0.690 119.733 120.400 0.038 0.000 2.326 112 D HA 0.435 5.078 4.640 0.006 0.000 0.248 112 D C 0.739 177.049 176.300 0.018 0.000 1.001 112 D CA -0.678 53.340 54.000 0.029 0.000 0.961 112 D CB 0.779 41.626 40.800 0.078 0.000 1.183 112 D HN 0.299 nan 8.370 nan 0.000 0.502 113 L N 1.123 122.342 121.223 -0.006 0.000 2.079 113 L HA -0.111 4.233 4.340 0.006 0.000 0.210 113 L C 1.667 178.541 176.870 0.006 0.000 1.081 113 L CA 1.903 56.738 54.840 -0.010 0.000 0.752 113 L CB -1.291 40.744 42.059 -0.040 0.000 0.896 113 L HN 0.659 nan 8.230 nan 0.000 0.433 114 N N -0.130 118.571 118.700 0.002 0.000 2.069 114 N HA -0.193 4.551 4.740 0.006 0.000 0.191 114 N C 0.860 176.392 175.510 0.036 0.000 1.031 114 N CA 1.486 54.546 53.050 0.017 0.000 0.852 114 N CB -0.235 38.256 38.487 0.005 0.000 1.018 114 N HN 0.326 nan 8.380 nan 0.000 0.423 115 N N 0.022 118.747 118.700 0.041 0.000 2.597 115 N HA 0.203 4.947 4.740 0.006 0.000 0.269 115 N C 0.040 175.576 175.510 0.043 0.000 1.204 115 N CA 0.110 53.188 53.050 0.046 0.000 0.947 115 N CB 0.358 38.880 38.487 0.058 0.000 1.258 115 N HN 0.431 nan 8.380 nan 0.000 0.508 116 I N -1.302 119.292 120.570 0.039 0.000 4.399 116 I HA -0.029 4.144 4.170 0.006 0.000 0.301 116 I C 1.350 177.491 176.117 0.040 0.000 1.198 116 I CA 0.226 61.550 61.300 0.040 0.000 1.315 116 I CB 0.587 38.612 38.000 0.042 0.000 1.452 116 I HN -0.021 nan 8.210 nan 0.000 0.457 117 V N -1.704 118.234 119.914 0.040 0.000 3.578 117 V HA 0.277 4.401 4.120 0.006 0.000 0.290 117 V C 0.776 176.895 176.094 0.042 0.000 1.376 117 V CA -0.391 61.933 62.300 0.040 0.000 1.083 117 V CB -0.650 31.198 31.823 0.042 0.000 0.911 117 V HN 0.111 nan 8.190 nan 0.000 0.433 118 K N 0.649 121.077 120.400 0.046 0.000 2.476 118 K HA -0.038 4.286 4.320 0.006 0.000 0.273 118 K C 0.699 177.325 176.600 0.043 0.000 1.056 118 K CA 1.265 57.583 56.287 0.052 0.000 1.150 118 K CB -0.685 31.846 32.500 0.053 0.000 0.838 118 K HN 0.720 nan 8.250 nan 0.000 0.486 119 C N 1.934 121.260 119.300 0.044 0.000 4.392 119 C HA -0.153 4.311 4.460 0.006 0.000 0.280 119 C C -0.139 174.864 174.990 0.022 0.000 1.381 119 C CA 0.435 59.472 59.018 0.032 0.000 1.871 119 C CB -2.545 25.214 27.740 0.032 0.000 1.323 119 C HN 0.833 nan 8.230 nan 0.000 0.772 120 Q N 0.265 120.079 119.800 0.024 0.000 2.310 120 Q HA 0.545 4.888 4.340 0.006 0.000 0.270 120 Q C -0.363 175.646 176.000 0.016 0.000 1.025 120 Q CA -0.152 55.661 55.803 0.017 0.000 0.772 120 Q CB 0.911 29.659 28.738 0.016 0.000 1.253 120 Q HN 0.508 nan 8.270 nan 0.000 0.450 121 K N 3.034 123.441 120.400 0.010 0.000 2.379 121 K HA 0.288 4.612 4.320 0.006 0.000 0.284 121 K C -0.429 176.174 176.600 0.005 0.000 1.044 121 K CA 0.054 56.349 56.287 0.012 0.000 0.974 121 K CB 0.472 32.979 32.500 0.012 0.000 0.962 121 K HN 0.451 nan 8.250 nan 0.000 0.474 122 L N 1.903 123.136 121.223 0.017 0.000 2.375 122 L HA 0.277 4.621 4.340 0.006 0.000 0.268 122 L C 0.938 177.813 176.870 0.007 0.000 1.058 122 L CA -0.974 53.868 54.840 0.003 0.000 0.803 122 L CB 1.279 43.371 42.059 0.056 0.000 1.212 122 L HN 0.747 nan 8.230 nan 0.000 0.451 123 T N -3.353 111.166 114.554 -0.059 0.000 2.903 123 T HA -0.048 4.306 4.350 0.006 0.000 0.314 123 T C 0.687 175.457 174.700 0.117 0.000 1.078 123 T CA -0.312 61.788 62.100 -0.001 0.000 1.114 123 T CB 0.754 69.585 68.868 -0.063 0.000 0.987 123 T HN 0.699 nan 8.240 nan 0.000 0.548 124 D N 0.018 120.493 120.400 0.125 0.000 2.218 124 D HA -0.113 4.530 4.640 0.006 0.000 0.204 124 D C 1.643 178.054 176.300 0.184 0.000 0.976 124 D CA 1.083 55.184 54.000 0.170 0.000 0.853 124 D CB -0.101 40.796 40.800 0.162 0.000 0.939 124 D HN 0.662 nan 8.370 nan 0.000 0.481 125 D N -1.627 118.896 120.400 0.205 0.000 2.277 125 D HA -0.086 4.558 4.640 0.006 0.000 0.208 125 D C 1.350 177.806 176.300 0.260 0.000 0.962 125 D CA 0.521 54.655 54.000 0.223 0.000 0.865 125 D CB 0.174 41.087 40.800 0.187 0.000 0.939 125 D HN 0.388 nan 8.370 nan 0.000 0.510 126 H N -0.084 119.063 119.070 0.127 0.000 2.333 126 H HA -0.045 4.514 4.556 0.006 0.000 0.302 126 H C 2.334 177.748 175.328 0.144 0.000 1.075 126 H CA 0.581 56.716 56.048 0.145 0.000 1.348 126 H CB -0.421 29.405 29.762 0.108 0.000 1.393 126 H HN -0.078 nan 8.280 nan 0.000 0.509 127 V N 0.990 121.058 119.914 0.256 0.000 2.231 127 V HA -0.345 3.778 4.120 0.006 0.000 0.248 127 V C 2.256 178.488 176.094 0.231 0.000 1.054 127 V CA 2.177 64.608 62.300 0.220 0.000 1.015 127 V CB -0.721 31.243 31.823 0.234 0.000 0.638 127 V HN 0.461 nan 8.190 nan 0.000 0.444 128 Q N -1.157 118.730 119.800 0.146 0.000 2.118 128 Q HA -0.295 4.049 4.340 0.006 0.000 0.211 128 Q C 2.163 178.276 176.000 0.189 0.000 0.998 128 Q CA 2.537 58.368 55.803 0.046 0.000 0.872 128 Q CB -0.390 28.310 28.738 -0.063 0.000 0.925 128 Q HN 0.649 nan 8.270 nan 0.000 0.414 129 F N 0.742 120.566 119.950 -0.209 0.000 2.128 129 F HA -0.102 4.428 4.527 0.006 0.000 0.295 129 F C 1.785 177.450 175.800 -0.225 0.000 1.100 129 F CA 1.086 58.748 58.000 -0.563 0.000 1.260 129 F CB -0.296 38.380 39.000 -0.540 0.000 1.009 129 F HN -0.036 nan 8.300 nan 0.000 0.476 130 L N -0.236 120.902 121.223 -0.142 0.000 1.994 130 L HA -0.252 4.092 4.340 0.006 0.000 0.208 130 L C 2.468 179.254 176.870 -0.140 0.000 1.071 130 L CA 0.870 55.590 54.840 -0.200 0.000 0.745 130 L CB -0.754 41.273 42.059 -0.054 0.000 0.892 130 L HN 0.094 nan 8.230 nan 0.000 0.431 131 I N -0.951 119.635 120.570 0.027 0.000 2.252 131 I HA -0.317 3.857 4.170 0.006 0.000 0.245 131 I C 2.527 178.557 176.117 -0.145 0.000 1.102 131 I CA 1.552 62.889 61.300 0.062 0.000 1.385 131 I CB -1.375 36.826 38.000 0.336 0.000 1.064 131 I HN 0.258 nan 8.210 nan 0.000 0.414 132 Y N 2.297 122.410 120.300 -0.311 0.000 2.114 132 Y HA -0.318 4.235 4.550 0.006 0.000 0.282 132 Y C 2.749 178.372 175.900 -0.462 0.000 1.165 132 Y CA 2.109 59.790 58.100 -0.700 0.000 1.148 132 Y CB -0.443 37.747 38.460 -0.451 0.000 0.972 132 Y HN 0.251 nan 8.280 nan 0.000 0.504 133 Q N -0.241 119.280 119.800 -0.465 0.000 2.119 133 Q HA -0.141 4.203 4.340 0.006 0.000 0.201 133 Q C 2.351 178.115 176.000 -0.394 0.000 0.972 133 Q CA 1.872 57.396 55.803 -0.465 0.000 0.847 133 Q CB -0.155 28.296 28.738 -0.478 0.000 0.903 133 Q HN 0.581 nan 8.270 nan 0.000 0.433 134 I N 0.378 120.751 120.570 -0.328 0.000 2.286 134 I HA -0.278 3.896 4.170 0.006 0.000 0.248 134 I C 1.999 177.932 176.117 -0.306 0.000 1.115 134 I CA 1.069 62.211 61.300 -0.264 0.000 1.392 134 I CB -0.114 37.772 38.000 -0.191 0.000 1.065 134 I HN 0.198 nan 8.210 nan 0.000 0.418 135 L N 0.054 121.051 121.223 -0.377 0.000 2.179 135 L HA -0.106 4.238 4.340 0.006 0.000 0.208 135 L C 2.712 179.335 176.870 -0.413 0.000 1.096 135 L CA 0.829 55.448 54.840 -0.368 0.000 0.779 135 L CB -0.421 41.404 42.059 -0.392 0.000 0.922 135 L HN 0.179 nan 8.230 nan 0.000 0.443 136 R N 0.278 120.449 120.500 -0.548 0.000 2.066 136 R HA -0.120 4.224 4.340 0.006 0.000 0.232 136 R C 2.244 178.321 176.300 -0.371 0.000 1.131 136 R CA 1.494 57.331 56.100 -0.440 0.000 0.955 136 R CB -0.488 29.475 30.300 -0.562 0.000 0.851 136 R HN 0.327 nan 8.270 nan 0.000 0.432 137 G N 1.179 109.737 108.800 -0.404 0.000 2.418 137 G HA2 -0.262 3.701 3.960 0.006 0.000 0.217 137 G HA3 -0.262 3.701 3.960 0.006 0.000 0.217 137 G C 1.311 175.950 174.900 -0.435 0.000 1.158 137 G CA 0.602 45.369 45.100 -0.555 0.000 0.771 137 G HN 0.276 nan 8.290 nan 0.000 0.545 138 L N 0.720 121.722 121.223 -0.368 0.000 2.083 138 L HA 0.035 4.379 4.340 0.006 0.000 0.209 138 L C 2.733 179.342 176.870 -0.434 0.000 1.083 138 L CA 2.099 56.680 54.840 -0.432 0.000 0.752 138 L CB -0.345 41.459 42.059 -0.425 0.000 0.899 138 L HN 0.223 nan 8.230 nan 0.000 0.433 139 K N -1.564 118.669 120.400 -0.279 0.000 2.063 139 K HA -0.289 4.035 4.320 0.006 0.000 0.208 139 K C 2.299 178.845 176.600 -0.090 0.000 1.048 139 K CA 2.051 58.256 56.287 -0.137 0.000 0.928 139 K CB -0.473 31.977 32.500 -0.083 0.000 0.713 139 K HN 0.383 nan 8.250 nan 0.000 0.442 140 Y N 1.426 121.557 120.300 -0.282 0.000 2.114 140 Y HA -0.211 4.343 4.550 0.006 0.000 0.284 140 Y C 2.028 177.805 175.900 -0.205 0.000 1.143 140 Y CA 1.893 59.840 58.100 -0.253 0.000 1.135 140 Y CB -0.202 37.954 38.460 -0.507 0.000 0.980 140 Y HN 0.007 nan 8.280 nan 0.000 0.499 141 I N -0.434 120.055 120.570 -0.135 0.000 2.163 141 I HA -0.410 3.764 4.170 0.006 0.000 0.243 141 I C 2.225 178.308 176.117 -0.056 0.000 1.085 141 I CA 2.026 63.220 61.300 -0.175 0.000 1.347 141 I CB -0.605 37.264 38.000 -0.219 0.000 1.044 141 I HN 0.366 nan 8.210 nan 0.000 0.408 142 H N -0.401 118.606 119.070 -0.105 0.000 2.457 142 H HA -0.107 4.453 4.556 0.006 0.000 0.294 142 H C 2.417 177.700 175.328 -0.076 0.000 1.064 142 H CA 1.095 57.106 56.048 -0.062 0.000 1.330 142 H CB 0.083 29.829 29.762 -0.027 0.000 1.395 142 H HN 0.400 nan 8.280 nan 0.000 0.541 143 S N 0.362 116.059 115.700 -0.004 0.000 2.489 143 S HA 0.058 4.531 4.470 0.006 0.000 0.228 143 S C 1.934 176.491 174.600 -0.072 0.000 0.995 143 S CA 0.405 58.578 58.200 -0.046 0.000 0.934 143 S CB 0.236 63.386 63.200 -0.083 0.000 0.771 143 S HN 0.377 nan 8.310 nan 0.000 0.522 144 A N 1.290 124.043 122.820 -0.112 0.000 2.337 144 A HA 0.271 4.595 4.320 0.006 0.000 0.227 144 A C 0.415 177.996 177.584 -0.005 0.000 1.259 144 A CA 0.154 52.149 52.037 -0.071 0.000 0.870 144 A CB -0.430 18.471 19.000 -0.166 0.000 0.927 144 A HN 0.379 nan 8.150 nan 0.000 0.497 145 D N -0.800 119.603 120.400 0.005 0.000 2.811 145 D HA -0.173 4.471 4.640 0.006 0.000 0.231 145 D C -0.228 176.094 176.300 0.038 0.000 1.157 145 D CA 1.086 55.096 54.000 0.018 0.000 0.716 145 D CB -1.439 39.373 40.800 0.020 0.000 1.077 145 D HN 0.565 nan 8.370 nan 0.000 0.428 146 I N 0.493 121.076 120.570 0.022 0.000 2.392 146 I HA 0.328 4.502 4.170 0.006 0.000 0.295 146 I C 0.895 177.086 176.117 0.123 0.000 0.985 146 I CA -0.717 60.603 61.300 0.033 0.000 1.221 146 I CB 1.387 39.331 38.000 -0.093 0.000 1.366 146 I HN -0.154 nan 8.210 nan 0.000 0.467 147 I N 5.119 125.770 120.570 0.135 0.000 2.354 147 I HA 0.172 4.345 4.170 0.006 0.000 0.292 147 I C 1.197 177.453 176.117 0.232 0.000 0.989 147 I CA -0.469 60.950 61.300 0.198 0.000 1.188 147 I CB 1.414 39.520 38.000 0.177 0.000 1.342 147 I HN 0.670 nan 8.210 nan 0.000 0.457 148 H N 6.214 125.411 119.070 0.211 0.000 2.270 148 H HA -0.110 4.449 4.556 0.006 0.000 0.299 148 H C 1.685 177.066 175.328 0.088 0.000 1.077 148 H CA 2.389 58.539 56.048 0.171 0.000 1.294 148 H CB 0.357 30.194 29.762 0.126 0.000 1.371 148 H HN 0.703 nan 8.280 nan 0.000 0.491 149 R N -0.869 119.811 120.500 0.299 0.000 3.590 149 R HA -0.191 4.153 4.340 0.006 0.000 0.463 149 R C -0.373 175.866 176.300 -0.101 0.000 0.657 149 R CA 1.532 57.681 56.100 0.080 0.000 1.512 149 R CB -1.433 28.909 30.300 0.071 0.000 2.154 149 R HN 0.447 nan 8.270 nan 0.000 0.409 150 D N -0.046 120.441 120.400 0.145 0.000 2.908 150 D HA 0.250 4.894 4.640 0.006 0.000 0.361 150 D C -0.781 175.444 176.300 -0.126 0.000 1.416 150 D CA -0.240 53.706 54.000 -0.090 0.000 0.796 150 D CB 0.392 41.048 40.800 -0.241 0.000 1.185 150 D HN 0.195 nan 8.370 nan 0.000 0.451 151 L N 1.861 122.879 121.223 -0.343 0.000 2.367 151 L HA 0.315 4.658 4.340 0.006 0.000 0.275 151 L C 0.083 176.773 176.870 -0.301 0.000 1.129 151 L CA 0.395 54.893 54.840 -0.570 0.000 0.839 151 L CB 0.350 42.140 42.059 -0.448 0.000 1.133 151 L HN 0.180 nan 8.230 nan 0.000 0.453 152 K N 2.536 122.719 120.400 -0.362 0.000 2.642 152 K HA 0.362 4.685 4.320 0.006 0.000 0.290 152 K C -2.850 173.479 176.600 -0.452 0.000 1.006 152 K CA -1.386 54.545 56.287 -0.593 0.000 0.869 152 K CB 1.112 33.277 32.500 -0.558 0.000 1.499 152 K HN -0.020 nan 8.250 nan 0.000 0.403 153 P HA -0.267 nan 4.420 nan 0.000 0.216 153 P C 1.381 178.601 177.300 -0.133 0.000 1.153 153 P CA 2.309 65.261 63.100 -0.245 0.000 0.858 153 P CB 0.045 31.632 31.700 -0.189 0.000 0.789 154 S N -1.375 114.253 115.700 -0.119 0.000 2.440 154 S HA -0.176 4.298 4.470 0.006 0.000 0.238 154 S C 1.432 176.045 174.600 0.021 0.000 1.010 154 S CA 1.400 59.587 58.200 -0.021 0.000 0.972 154 S CB -1.522 61.663 63.200 -0.026 0.000 0.774 154 S HN 0.263 nan 8.310 nan 0.000 0.501 155 N N 0.512 119.189 118.700 -0.037 0.000 2.295 155 N HA 0.366 5.110 4.740 0.006 0.000 0.221 155 N C -1.079 174.429 175.510 -0.003 0.000 1.129 155 N CA -0.101 52.958 53.050 0.015 0.000 0.836 155 N CB 0.223 38.727 38.487 0.028 0.000 1.040 155 N HN 0.366 nan 8.380 nan 0.000 0.494 156 L N 1.165 122.366 121.223 -0.037 0.000 2.372 156 L HA 0.571 4.915 4.340 0.006 0.000 0.273 156 L C -0.647 176.197 176.870 -0.043 0.000 0.989 156 L CA -0.782 54.026 54.840 -0.053 0.000 0.841 156 L CB 1.723 43.727 42.059 -0.091 0.000 1.225 156 L HN -0.050 nan 8.230 nan 0.000 0.414 157 A N 4.309 127.101 122.820 -0.047 0.000 2.260 157 A HA 0.769 5.093 4.320 0.006 0.000 0.308 157 A C -0.498 177.052 177.584 -0.057 0.000 1.254 157 A CA -0.401 51.601 52.037 -0.058 0.000 0.874 157 A CB 0.951 19.905 19.000 -0.077 0.000 1.153 157 A HN 0.407 nan 8.150 nan 0.000 0.527 158 V N 3.678 123.566 119.914 -0.044 0.000 2.680 158 V HA 0.420 4.543 4.120 0.006 0.000 0.309 158 V C -0.194 175.890 176.094 -0.016 0.000 1.052 158 V CA -0.903 61.375 62.300 -0.037 0.000 0.908 158 V CB 1.876 33.682 31.823 -0.028 0.000 1.001 158 V HN 1.082 nan 8.190 nan 0.000 0.431 159 N N 2.196 120.890 118.700 -0.009 0.000 2.530 159 N HA 0.301 5.044 4.740 0.006 0.000 0.283 159 N C 0.561 176.089 175.510 0.031 0.000 1.238 159 N CA -0.739 52.317 53.050 0.011 0.000 0.971 159 N CB 0.740 39.232 38.487 0.009 0.000 1.195 159 N HN 0.469 nan 8.380 nan 0.000 0.583 160 E N -0.665 119.557 120.200 0.036 0.000 2.171 160 E HA -0.142 4.211 4.350 0.006 0.000 0.197 160 E C -0.037 176.596 176.600 0.056 0.000 0.997 160 E CA 1.527 57.954 56.400 0.045 0.000 0.810 160 E CB -0.281 29.442 29.700 0.040 0.000 0.738 160 E HN 0.587 nan 8.360 nan 0.000 0.467 161 D N -0.754 119.680 120.400 0.058 0.000 2.325 161 D HA 0.074 4.718 4.640 0.006 0.000 0.234 161 D C -0.030 176.350 176.300 0.133 0.000 1.122 161 D CA 0.040 54.085 54.000 0.075 0.000 0.850 161 D CB -0.153 40.687 40.800 0.067 0.000 0.921 161 D HN 0.105 nan 8.370 nan 0.000 0.513 162 C N 0.905 120.273 119.300 0.113 0.000 4.320 162 C HA -0.198 4.265 4.460 0.006 0.000 0.281 162 C C 0.706 175.742 174.990 0.077 0.000 1.432 162 C CA 0.063 59.162 59.018 0.135 0.000 1.884 162 C CB -2.348 25.526 27.740 0.223 0.000 1.378 162 C HN 0.423 nan 8.230 nan 0.000 0.771 163 E N -0.160 120.074 120.200 0.056 0.000 2.373 163 E HA 0.498 4.852 4.350 0.006 0.000 0.267 163 E C -0.072 176.449 176.600 -0.131 0.000 1.032 163 E CA 0.091 56.446 56.400 -0.076 0.000 0.889 163 E CB 0.791 30.483 29.700 -0.013 0.000 0.984 163 E HN 0.593 nan 8.360 nan 0.000 0.425 164 L N 1.923 123.027 121.223 -0.199 0.000 2.431 164 L HA 0.497 4.840 4.340 0.006 0.000 0.266 164 L C -1.467 175.316 176.870 -0.146 0.000 0.978 164 L CA -0.632 54.105 54.840 -0.171 0.000 0.822 164 L CB 1.285 43.210 42.059 -0.225 0.000 1.310 164 L HN 0.403 nan 8.230 nan 0.000 0.409 165 K N 5.425 125.765 120.400 -0.100 0.000 2.324 165 K HA 0.546 4.870 4.320 0.006 0.000 0.253 165 K C -1.132 175.453 176.600 -0.025 0.000 0.932 165 K CA -0.676 55.572 56.287 -0.066 0.000 0.799 165 K CB 2.646 35.117 32.500 -0.048 0.000 1.154 165 K HN 0.531 nan 8.250 nan 0.000 0.425 166 I N 4.518 125.094 120.570 0.011 0.000 2.416 166 I HA 0.150 4.324 4.170 0.006 0.000 0.288 166 I C -0.047 176.213 176.117 0.238 0.000 1.051 166 I CA -0.363 60.996 61.300 0.097 0.000 1.375 166 I CB 0.353 38.409 38.000 0.094 0.000 1.407 166 I HN 0.282 nan 8.210 nan 0.000 0.516 167 L N 5.164 126.512 121.223 0.207 0.000 2.358 167 L HA 0.462 4.805 4.340 0.006 0.000 0.268 167 L C 0.220 177.163 176.870 0.121 0.000 1.032 167 L CA -0.814 54.111 54.840 0.143 0.000 0.805 167 L CB 0.741 42.830 42.059 0.050 0.000 1.253 167 L HN 0.557 nan 8.230 nan 0.000 0.452 168 D N 0.382 120.653 120.400 -0.214 0.000 2.837 168 D HA -0.208 4.436 4.640 0.006 0.000 0.230 168 D C -0.433 175.515 176.300 -0.587 0.000 1.152 168 D CA 0.945 54.750 54.000 -0.324 0.000 0.736 168 D CB -1.200 39.560 40.800 -0.067 0.000 1.084 168 D HN 0.375 nan 8.370 nan 0.000 0.429 169 F N -1.731 117.916 119.950 -0.505 0.000 2.418 169 F HA 0.500 5.031 4.527 0.006 0.000 0.341 169 F C 1.721 177.312 175.800 -0.349 0.000 1.120 169 F CA -0.466 57.056 58.000 -0.797 0.000 1.232 169 F CB 0.557 39.319 39.000 -0.396 0.000 1.175 169 F HN 0.014 nan 8.300 nan 0.000 0.569 170 G N 2.088 110.838 108.800 -0.084 0.000 2.166 170 G HA2 -0.275 3.689 3.960 0.006 0.000 0.260 170 G HA3 -0.275 3.689 3.960 0.006 0.000 0.260 170 G C -0.201 174.715 174.900 0.026 0.000 0.986 170 G CA 0.329 45.460 45.100 0.052 0.000 0.683 170 G HN 0.759 nan 8.290 nan 0.000 0.527 171 L N -1.055 120.158 121.223 -0.015 0.000 2.416 171 L HA 0.688 5.032 4.340 0.006 0.000 0.262 171 L C 1.825 178.704 176.870 0.016 0.000 1.093 171 L CA -0.360 54.471 54.840 -0.015 0.000 0.801 171 L CB 0.997 43.008 42.059 -0.080 0.000 1.191 171 L HN 0.083 nan 8.230 nan 0.000 0.459 172 A N 1.200 123.961 122.820 -0.100 0.000 1.878 172 A HA 0.005 4.329 4.320 0.006 0.000 0.213 172 A C 2.585 179.937 177.584 -0.387 0.000 1.192 172 A CA 1.326 53.232 52.037 -0.219 0.000 0.619 172 A CB -0.734 18.184 19.000 -0.137 0.000 0.837 172 A HN 0.869 nan 8.150 nan 0.000 0.446 173 R N 0.942 121.308 120.500 -0.224 0.000 2.386 173 R HA -0.340 4.004 4.340 0.006 0.000 0.252 173 R C 1.956 178.161 176.300 -0.159 0.000 1.058 173 R CA 3.054 59.051 56.100 -0.173 0.000 0.938 173 R CB -2.702 27.529 30.300 -0.116 0.000 0.931 173 R HN 1.039 nan 8.270 nan 0.000 0.455 174 H N -1.217 117.824 119.070 -0.048 0.000 2.489 174 H HA -0.030 4.529 4.556 0.006 0.000 0.293 174 H C 1.894 177.204 175.328 -0.029 0.000 1.066 174 H CA 1.402 57.429 56.048 -0.035 0.000 1.305 174 H CB -1.072 28.680 29.762 -0.016 0.000 1.386 174 H HN 0.470 nan 8.280 nan 0.000 0.551 175 T N 1.982 116.337 114.554 -0.332 0.000 2.564 175 T HA -0.247 4.107 4.350 0.006 0.000 0.264 175 T C 1.369 176.035 174.700 -0.057 0.000 1.100 175 T CA 2.674 64.675 62.100 -0.166 0.000 1.171 175 T CB -0.382 68.373 68.868 -0.189 0.000 0.863 175 T HN 0.746 nan 8.240 nan 0.000 0.430 176 D N 1.348 121.711 120.400 -0.062 0.000 2.162 176 D HA 0.041 4.684 4.640 0.006 0.000 0.205 176 D C 0.717 177.003 176.300 -0.023 0.000 0.964 176 D CA 0.363 54.342 54.000 -0.035 0.000 0.847 176 D CB -0.722 40.058 40.800 -0.034 0.000 0.988 176 D HN 0.540 nan 8.370 nan 0.000 0.480 177 D N 0.591 120.974 120.400 -0.028 0.000 2.383 177 D HA -0.010 4.634 4.640 0.006 0.000 0.233 177 D C -0.121 176.167 176.300 -0.020 0.000 1.233 177 D CA -0.037 53.947 54.000 -0.027 0.000 0.881 177 D CB 0.414 41.193 40.800 -0.035 0.000 1.212 177 D HN 0.024 nan 8.370 nan 0.000 0.467 178 E N -0.336 119.846 120.200 -0.029 0.000 2.283 178 E HA 0.174 4.528 4.350 0.006 0.000 0.278 178 E C 0.137 176.719 176.600 -0.030 0.000 1.027 178 E CA -0.268 56.121 56.400 -0.018 0.000 0.843 178 E CB 0.862 30.554 29.700 -0.013 0.000 1.062 178 E HN 0.413 nan 8.360 nan 0.000 0.401 179 M N 2.097 121.702 119.600 0.008 0.000 2.404 179 M HA 0.119 4.602 4.480 0.006 0.000 0.271 179 M C -0.244 176.090 176.300 0.056 0.000 1.128 179 M CA 0.113 55.410 55.300 -0.006 0.000 0.982 179 M CB 0.175 32.806 32.600 0.052 0.000 1.445 179 M HN 0.318 nan 8.290 nan 0.000 0.495 180 T N 1.380 115.982 114.554 0.081 0.000 2.806 180 T HA 0.579 4.933 4.350 0.006 0.000 0.290 180 T C 0.811 175.560 174.700 0.082 0.000 0.966 180 T CA 0.620 62.797 62.100 0.129 0.000 1.060 180 T CB 1.507 70.426 68.868 0.086 0.000 0.927 180 T HN 0.678 nan 8.240 nan 0.000 0.485 181 G N 2.333 111.211 108.800 0.131 0.000 2.499 181 G HA2 -0.244 3.720 3.960 0.006 0.000 0.232 181 G HA3 -0.244 3.720 3.960 0.006 0.000 0.232 181 G C -0.668 174.364 174.900 0.220 0.000 1.251 181 G CA -0.466 44.730 45.100 0.160 0.000 0.917 181 G HN 0.722 nan 8.290 nan 0.000 0.580 182 Y N 1.940 122.313 120.300 0.122 0.000 2.736 182 Y HA 0.501 5.055 4.550 0.006 0.000 0.339 182 Y C 0.808 176.776 175.900 0.115 0.000 1.301 182 Y CA -0.288 57.972 58.100 0.267 0.000 1.676 182 Y CB -0.221 38.391 38.460 0.253 0.000 1.725 182 Y HN 1.037 nan 8.280 nan 0.000 0.466 183 V N 0.635 120.308 119.914 -0.401 0.000 2.588 183 V HA 0.746 4.870 4.120 0.006 0.000 0.304 183 V C 0.717 175.787 176.094 -1.706 0.000 1.042 183 V CA -0.354 61.458 62.300 -0.813 0.000 0.877 183 V CB 1.071 32.660 31.823 -0.390 0.000 0.996 183 V HN 0.436 nan 8.190 nan 0.000 0.425 184 A N 2.922 124.678 122.820 -1.773 0.000 2.019 184 A HA -0.088 4.236 4.320 0.006 0.000 0.219 184 A C 2.102 179.365 177.584 -0.534 0.000 1.164 184 A CA 2.348 53.559 52.037 -1.377 0.000 0.644 184 A CB -0.960 17.686 19.000 -0.590 0.000 0.805 184 A HN 1.552 nan 8.150 nan 0.000 0.449 185 T N -3.014 111.283 114.554 -0.429 0.000 2.996 185 T HA -0.134 4.220 4.350 0.006 0.000 0.271 185 T C 1.661 176.272 174.700 -0.148 0.000 1.126 185 T CA 1.516 63.498 62.100 -0.197 0.000 1.103 185 T CB -0.184 68.587 68.868 -0.161 0.000 0.870 185 T HN 0.538 nan 8.240 nan 0.000 0.528 186 R N -1.534 118.805 120.500 -0.269 0.000 2.394 186 R HA 0.171 4.515 4.340 0.006 0.000 0.220 186 R C 1.100 177.388 176.300 -0.020 0.000 0.887 186 R CA -0.226 55.770 56.100 -0.173 0.000 1.034 186 R CB 0.257 30.395 30.300 -0.271 0.000 1.179 186 R HN 0.376 nan 8.270 nan 0.000 0.561 187 W N 0.028 121.248 121.300 -0.132 0.000 2.699 187 W HA -0.016 4.648 4.660 0.006 0.000 0.249 187 W C 0.532 176.829 176.519 -0.370 0.000 1.280 187 W CA 0.391 57.558 57.345 -0.297 0.000 1.345 187 W CB -0.364 28.796 29.460 -0.500 0.000 1.128 187 W HN 0.133 nan 8.180 nan 0.000 0.642 188 Y N -0.187 120.273 120.300 0.267 0.000 2.458 188 Y HA 0.224 4.778 4.550 0.006 0.000 0.256 188 Y C 1.233 177.304 175.900 0.284 0.000 1.159 188 Y CA -0.301 57.954 58.100 0.258 0.000 1.261 188 Y CB -0.244 38.292 38.460 0.126 0.000 1.119 188 Y HN -0.430 nan 8.280 nan 0.000 0.524 189 R N 1.419 122.059 120.500 0.232 0.000 2.390 189 R HA 0.495 4.838 4.340 0.006 0.000 0.291 189 R C 0.239 176.476 176.300 -0.105 0.000 1.070 189 R CA -0.265 55.866 56.100 0.053 0.000 1.014 189 R CB 0.715 30.968 30.300 -0.080 0.000 1.007 189 R HN 0.149 nan 8.270 nan 0.000 0.466 190 A N 4.816 127.468 122.820 -0.279 0.000 2.445 190 A HA 0.258 4.582 4.320 0.006 0.000 0.242 190 A C -1.315 175.771 177.584 -0.829 0.000 1.075 190 A CA -1.154 50.363 52.037 -0.867 0.000 0.777 190 A CB 0.090 18.825 19.000 -0.442 0.000 1.013 190 A HN 0.427 nan 8.150 nan 0.000 0.493 191 P HA -0.196 nan 4.420 nan 0.000 0.216 191 P C 1.212 177.763 177.300 -1.247 0.000 1.150 191 P CA 1.579 64.032 63.100 -1.077 0.000 0.837 191 P CB 0.041 31.043 31.700 -1.163 0.000 0.786 192 E N 0.022 119.675 120.200 -0.912 0.000 2.204 192 E HA -0.150 4.204 4.350 0.006 0.000 0.194 192 E C 2.015 178.403 176.600 -0.354 0.000 0.989 192 E CA 0.909 56.997 56.400 -0.520 0.000 0.824 192 E CB -1.060 28.643 29.700 0.005 0.000 0.756 192 E HN 0.316 nan 8.360 nan 0.000 0.477 193 I N -0.209 120.119 120.570 -0.403 0.000 2.731 193 I HA -0.039 4.135 4.170 0.006 0.000 0.260 193 I C 2.667 178.608 176.117 -0.294 0.000 1.138 193 I CA 0.266 61.345 61.300 -0.368 0.000 1.461 193 I CB 0.043 37.706 38.000 -0.563 0.000 1.128 193 I HN 0.033 nan 8.210 nan 0.000 0.438 194 M N 0.203 119.594 119.600 -0.348 0.000 2.108 194 M HA -0.202 4.282 4.480 0.006 0.000 0.261 194 M C 0.727 176.945 176.300 -0.137 0.000 1.066 194 M CA 1.868 57.029 55.300 -0.232 0.000 1.107 194 M CB 0.153 32.574 32.600 -0.299 0.000 1.356 194 M HN 0.201 nan 8.290 nan 0.000 0.406 195 L N 0.964 122.003 121.223 -0.307 0.000 3.066 195 L HA 0.252 4.596 4.340 0.006 0.000 0.265 195 L C -0.100 176.743 176.870 -0.045 0.000 1.232 195 L CA 0.196 54.933 54.840 -0.171 0.000 1.031 195 L CB -0.557 41.343 42.059 -0.264 0.000 1.379 195 L HN 0.352 nan 8.230 nan 0.000 0.563 196 N N -0.556 118.111 118.700 -0.054 0.000 2.699 196 N HA -0.272 4.472 4.740 0.006 0.000 0.256 196 N C 0.686 176.340 175.510 0.241 0.000 0.993 196 N CA 0.569 53.674 53.050 0.091 0.000 0.759 196 N CB -0.869 37.676 38.487 0.098 0.000 0.906 196 N HN 0.366 nan 8.380 nan 0.000 0.541 197 W N -0.100 121.217 121.300 0.029 0.000 2.425 197 W HA 0.084 4.748 4.660 0.007 0.000 0.277 197 W C 1.732 178.261 176.519 0.017 0.000 1.231 197 W CA 0.732 58.086 57.345 0.016 0.000 1.248 197 W CB -0.185 29.273 29.460 -0.002 0.000 1.117 197 W HN 0.443 nan 8.180 nan 0.000 0.568 198 M N -3.077 116.688 119.600 0.274 0.000 3.196 198 M HA 0.245 4.729 4.480 0.006 0.000 0.279 198 M C -1.134 175.288 176.300 0.203 0.000 1.173 198 M CA -0.912 54.480 55.300 0.153 0.000 0.820 198 M CB 1.476 34.165 32.600 0.148 0.000 1.621 198 M HN -0.371 nan 8.290 nan 0.000 0.521 199 H N 2.243 121.360 119.070 0.079 0.000 3.026 199 H HA 0.341 4.901 4.556 0.006 0.000 0.289 199 H C -1.176 174.137 175.328 -0.025 0.000 1.022 199 H CA 0.403 56.430 56.048 -0.034 0.000 1.477 199 H CB -0.481 29.233 29.762 -0.081 0.000 1.510 199 H HN 0.561 nan 8.280 nan 0.000 0.535 200 Y N 2.019 122.412 120.300 0.154 0.000 2.480 200 Y HA 0.415 4.969 4.550 0.006 0.000 0.323 200 Y C 0.509 176.440 175.900 0.051 0.000 1.267 200 Y CA -1.070 57.082 58.100 0.086 0.000 1.336 200 Y CB 1.015 39.509 38.460 0.056 0.000 1.361 200 Y HN 0.636 nan 8.280 nan 0.000 0.518 201 N N -1.070 117.753 118.700 0.206 0.000 3.621 201 N HA 0.094 4.838 4.740 0.006 0.000 0.345 201 N C 0.201 175.782 175.510 0.120 0.000 1.646 201 N CA -0.513 52.590 53.050 0.089 0.000 0.731 201 N CB 0.734 39.218 38.487 -0.005 0.000 2.435 201 N HN 0.811 nan 8.380 nan 0.000 0.613 202 Q N -0.100 119.668 119.800 -0.052 0.000 2.364 202 Q HA -0.052 4.292 4.340 0.006 0.000 0.207 202 Q C 1.328 177.258 176.000 -0.118 0.000 0.970 202 Q CA 2.072 57.723 55.803 -0.254 0.000 0.888 202 Q CB -0.615 27.680 28.738 -0.739 0.000 0.951 202 Q HN 0.729 nan 8.270 nan 0.000 0.469 203 T N -0.793 113.767 114.554 0.010 0.000 3.007 203 T HA -0.093 4.261 4.350 0.006 0.000 0.270 203 T C 1.958 176.759 174.700 0.169 0.000 1.107 203 T CA 0.944 63.108 62.100 0.107 0.000 1.118 203 T CB -0.683 68.251 68.868 0.111 0.000 0.889 203 T HN 0.352 nan 8.240 nan 0.000 0.506 204 V N 0.782 120.788 119.914 0.153 0.000 2.380 204 V HA -0.212 3.911 4.120 0.006 0.000 0.251 204 V C 2.017 178.234 176.094 0.205 0.000 1.063 204 V CA 2.181 64.565 62.300 0.139 0.000 1.055 204 V CB -0.842 31.010 31.823 0.048 0.000 0.657 204 V HN 0.286 nan 8.190 nan 0.000 0.455 205 D N 0.220 120.753 120.400 0.222 0.000 2.224 205 D HA 0.015 4.659 4.640 0.006 0.000 0.205 205 D C 2.179 178.601 176.300 0.203 0.000 0.965 205 D CA 1.160 55.292 54.000 0.220 0.000 0.852 205 D CB -0.009 40.978 40.800 0.311 0.000 0.947 205 D HN 0.446 nan 8.370 nan 0.000 0.494 206 I N 0.328 121.040 120.570 0.236 0.000 2.439 206 I HA -0.178 3.995 4.170 0.006 0.000 0.251 206 I C 2.329 178.562 176.117 0.194 0.000 1.139 206 I CA 0.516 61.926 61.300 0.183 0.000 1.438 206 I CB -0.762 37.345 38.000 0.179 0.000 1.085 206 I HN 0.246 nan 8.210 nan 0.000 0.427 207 W N 2.390 123.746 121.300 0.093 0.000 2.317 207 W HA -0.273 4.390 4.660 0.006 0.000 0.318 207 W C 2.555 179.149 176.519 0.125 0.000 1.227 207 W CA 2.110 59.520 57.345 0.108 0.000 1.269 207 W CB -0.387 29.122 29.460 0.082 0.000 1.155 207 W HN 0.105 nan 8.180 nan 0.000 0.484 208 S N 0.861 116.763 115.700 0.338 0.000 2.387 208 S HA -0.225 4.249 4.470 0.006 0.000 0.230 208 S C 1.812 176.469 174.600 0.095 0.000 1.035 208 S CA 1.896 60.238 58.200 0.237 0.000 1.014 208 S CB -0.924 62.380 63.200 0.173 0.000 0.836 208 S HN 0.177 nan 8.310 nan 0.000 0.466 209 V N 1.859 121.797 119.914 0.041 0.000 2.295 209 V HA -0.155 3.968 4.120 0.006 0.000 0.246 209 V C 2.725 178.796 176.094 -0.037 0.000 1.049 209 V CA 1.901 64.197 62.300 -0.007 0.000 1.024 209 V CB -1.704 30.114 31.823 -0.008 0.000 0.648 209 V HN 0.587 nan 8.190 nan 0.000 0.447 210 G N -0.933 107.813 108.800 -0.090 0.000 2.513 210 G HA2 -0.323 3.640 3.960 0.006 0.000 0.219 210 G HA3 -0.323 3.640 3.960 0.006 0.000 0.219 210 G C 1.708 176.490 174.900 -0.197 0.000 1.160 210 G CA 1.575 46.565 45.100 -0.183 0.000 0.767 210 G HN 0.551 nan 8.290 nan 0.000 0.571 211 C N 0.005 119.213 119.300 -0.153 0.000 2.457 211 C HA 0.166 4.629 4.460 0.006 0.000 0.278 211 C C 2.848 177.871 174.990 0.056 0.000 1.309 211 C CA 0.308 59.281 59.018 -0.076 0.000 1.735 211 C CB -0.921 26.885 27.740 0.110 0.000 1.992 211 C HN 0.472 nan 8.230 nan 0.000 0.493 212 I N 0.480 121.114 120.570 0.107 0.000 2.163 212 I HA -0.258 3.916 4.170 0.006 0.000 0.240 212 I C 2.670 178.790 176.117 0.004 0.000 1.081 212 I CA 1.630 62.978 61.300 0.079 0.000 1.353 212 I CB -0.483 37.513 38.000 -0.007 0.000 1.054 212 I HN 0.323 nan 8.210 nan 0.000 0.407 213 M N 0.887 120.466 119.600 -0.035 0.000 2.082 213 M HA -0.287 4.197 4.480 0.006 0.000 0.258 213 M C 2.421 178.639 176.300 -0.137 0.000 1.069 213 M CA 2.414 57.679 55.300 -0.059 0.000 1.102 213 M CB -0.180 32.381 32.600 -0.066 0.000 1.336 213 M HN 0.292 nan 8.290 nan 0.000 0.404 214 A N -0.008 122.676 122.820 -0.227 0.000 1.883 214 A HA -0.278 4.046 4.320 0.006 0.000 0.217 214 A C 1.969 179.470 177.584 -0.138 0.000 1.186 214 A CA 2.201 54.047 52.037 -0.318 0.000 0.624 214 A CB -1.055 17.739 19.000 -0.343 0.000 0.822 214 A HN 0.762 nan 8.150 nan 0.000 0.444 215 E N -0.214 119.942 120.200 -0.073 0.000 2.150 215 E HA -0.123 4.231 4.350 0.006 0.000 0.193 215 E C 1.869 178.472 176.600 0.005 0.000 0.985 215 E CA 0.879 57.270 56.400 -0.014 0.000 0.814 215 E CB -0.205 29.530 29.700 0.057 0.000 0.752 215 E HN 0.642 nan 8.360 nan 0.000 0.466 216 L N 0.481 121.707 121.223 0.005 0.000 2.141 216 L HA -0.145 4.199 4.340 0.006 0.000 0.209 216 L C 2.439 179.321 176.870 0.020 0.000 1.094 216 L CA 0.591 55.445 54.840 0.024 0.000 0.763 216 L CB -0.253 41.831 42.059 0.041 0.000 0.908 216 L HN 0.246 nan 8.230 nan 0.000 0.437 217 L N -0.636 120.581 121.223 -0.010 0.000 2.109 217 L HA -0.130 4.214 4.340 0.006 0.000 0.207 217 L C 2.543 179.422 176.870 0.016 0.000 1.086 217 L CA 1.800 56.636 54.840 -0.007 0.000 0.760 217 L CB -0.561 41.454 42.059 -0.074 0.000 0.910 217 L HN 0.409 nan 8.230 nan 0.000 0.437 218 T N -5.255 109.310 114.554 0.018 0.000 2.990 218 T HA 0.283 4.636 4.350 0.006 0.000 0.250 218 T C 1.480 176.188 174.700 0.013 0.000 1.041 218 T CA 0.460 62.580 62.100 0.034 0.000 1.010 218 T CB 0.844 69.744 68.868 0.054 0.000 1.003 218 T HN 0.372 nan 8.240 nan 0.000 0.499 219 G N 1.947 110.753 108.800 0.011 0.000 2.179 219 G HA2 -0.203 3.760 3.960 0.006 0.000 0.260 219 G HA3 -0.203 3.760 3.960 0.006 0.000 0.260 219 G C 0.021 174.922 174.900 0.001 0.000 0.977 219 G CA -0.181 44.925 45.100 0.010 0.000 0.641 219 G HN 0.644 nan 8.290 nan 0.000 0.533 220 R N 0.430 120.921 120.500 -0.016 0.000 2.621 220 R HA 0.529 4.872 4.340 0.006 0.000 0.292 220 R C -0.074 176.176 176.300 -0.084 0.000 0.969 220 R CA -0.508 55.562 56.100 -0.050 0.000 0.887 220 R CB 0.877 31.134 30.300 -0.072 0.000 1.180 220 R HN 0.132 nan 8.270 nan 0.000 0.450 221 T N 3.207 117.688 114.554 -0.121 0.000 2.905 221 T HA -0.052 4.302 4.350 0.006 0.000 0.299 221 T C 1.626 176.135 174.700 -0.317 0.000 1.024 221 T CA 0.026 61.999 62.100 -0.212 0.000 1.151 221 T CB 0.389 69.022 68.868 -0.391 0.000 0.987 221 T HN 0.348 nan 8.240 nan 0.000 0.535 222 L N 3.315 124.303 121.223 -0.391 0.000 2.044 222 L HA 0.209 4.553 4.340 0.006 0.000 0.205 222 L C 0.453 176.831 176.870 -0.821 0.000 1.075 222 L CA 1.751 56.201 54.840 -0.650 0.000 0.747 222 L CB -0.191 41.369 42.059 -0.831 0.000 0.903 222 L HN 0.648 nan 8.230 nan 0.000 0.435 223 F N 1.090 120.899 119.950 -0.234 0.000 2.471 223 F HA 0.401 4.931 4.527 0.006 0.000 0.318 223 F C -2.019 173.478 175.800 -0.506 0.000 1.308 223 F CA -2.445 55.418 58.000 -0.229 0.000 1.162 223 F CB -0.029 38.942 39.000 -0.048 0.000 1.383 223 F HN 0.029 nan 8.300 nan 0.000 0.552 224 P HA 0.091 nan 4.420 nan 0.000 0.231 224 P C 0.677 177.651 177.300 -0.544 0.000 1.756 224 P CA 0.324 62.526 63.100 -1.498 0.000 0.990 224 P CB 0.123 31.156 31.700 -1.112 0.000 1.973 225 G N 1.362 110.071 108.800 -0.152 0.000 2.491 225 G HA2 0.146 4.110 3.960 0.006 0.000 0.238 225 G HA3 0.146 4.110 3.960 0.006 0.000 0.238 225 G C 1.230 176.390 174.900 0.433 0.000 1.277 225 G CA -0.144 45.061 45.100 0.176 0.000 0.851 225 G HN 0.325 nan 8.290 nan 0.000 0.573 226 T N -1.733 113.033 114.554 0.353 0.000 3.085 226 T HA 0.147 4.501 4.350 0.006 0.000 0.263 226 T C 0.458 175.327 174.700 0.282 0.000 1.127 226 T CA 1.040 63.363 62.100 0.372 0.000 1.103 226 T CB -0.316 68.643 68.868 0.152 0.000 0.921 226 T HN 0.788 nan 8.240 nan 0.000 0.510 227 D N -1.704 118.834 120.400 0.229 0.000 2.792 227 D HA 0.206 4.849 4.640 0.006 0.000 0.335 227 D C 0.070 176.473 176.300 0.171 0.000 1.353 227 D CA -0.837 53.285 54.000 0.203 0.000 0.839 227 D CB 0.031 40.943 40.800 0.186 0.000 1.396 227 D HN -0.075 nan 8.370 nan 0.000 0.479 228 H N -0.626 118.478 119.070 0.055 0.000 2.352 228 H HA 0.037 4.596 4.556 0.006 0.000 0.299 228 H C 1.542 176.887 175.328 0.028 0.000 1.097 228 H CA 1.768 57.829 56.048 0.022 0.000 1.311 228 H CB -0.032 29.719 29.762 -0.017 0.000 1.377 228 H HN 0.314 nan 8.280 nan 0.000 0.504 229 I N 0.059 120.731 120.570 0.169 0.000 2.333 229 I HA -0.148 4.025 4.170 0.006 0.000 0.246 229 I C 1.993 178.188 176.117 0.130 0.000 1.106 229 I CA 1.163 62.543 61.300 0.133 0.000 1.411 229 I CB -0.870 37.182 38.000 0.087 0.000 1.082 229 I HN 0.261 nan 8.210 nan 0.000 0.420 230 D N 0.723 121.193 120.400 0.118 0.000 2.144 230 D HA -0.260 4.383 4.640 0.006 0.000 0.199 230 D C 2.250 178.606 176.300 0.094 0.000 0.984 230 D CA 1.307 55.369 54.000 0.104 0.000 0.834 230 D CB 0.091 40.955 40.800 0.107 0.000 0.955 230 D HN 0.290 nan 8.370 nan 0.000 0.465 231 Q N -0.658 119.198 119.800 0.094 0.000 2.050 231 Q HA -0.158 4.185 4.340 0.006 0.000 0.202 231 Q C 2.220 178.215 176.000 -0.010 0.000 0.980 231 Q CA 1.181 57.020 55.803 0.060 0.000 0.840 231 Q CB -0.217 28.555 28.738 0.056 0.000 0.898 231 Q HN 0.394 nan 8.270 nan 0.000 0.424 232 L N 0.980 122.207 121.223 0.007 0.000 2.046 232 L HA -0.195 4.148 4.340 0.006 0.000 0.208 232 L C 1.886 178.775 176.870 0.031 0.000 1.077 232 L CA 1.870 56.708 54.840 -0.004 0.000 0.747 232 L CB -0.227 41.890 42.059 0.096 0.000 0.896 232 L HN 0.065 nan 8.230 nan 0.000 0.432 233 K N -0.586 119.857 120.400 0.073 0.000 2.103 233 K HA -0.159 4.165 4.320 0.006 0.000 0.207 233 K C 2.063 178.698 176.600 0.058 0.000 1.048 233 K CA 1.737 58.065 56.287 0.069 0.000 0.930 233 K CB -0.372 32.175 32.500 0.079 0.000 0.716 233 K HN 0.363 nan 8.250 nan 0.000 0.444 234 L N 0.744 122.006 121.223 0.064 0.000 2.012 234 L HA -0.217 4.126 4.340 0.006 0.000 0.210 234 L C 2.390 179.336 176.870 0.125 0.000 1.073 234 L CA 1.292 56.211 54.840 0.132 0.000 0.748 234 L CB -0.505 41.684 42.059 0.218 0.000 0.891 234 L HN 0.177 nan 8.230 nan 0.000 0.431 235 I N -0.136 120.342 120.570 -0.154 0.000 2.163 235 I HA -0.325 3.849 4.170 0.006 0.000 0.243 235 I C 2.363 178.484 176.117 0.006 0.000 1.085 235 I CA 1.476 62.559 61.300 -0.361 0.000 1.347 235 I CB -0.252 37.441 38.000 -0.511 0.000 1.044 235 I HN 0.216 nan 8.210 nan 0.000 0.408 236 L N -0.025 121.220 121.223 0.036 0.000 2.275 236 L HA -0.134 4.210 4.340 0.006 0.000 0.215 236 L C 2.663 179.591 176.870 0.097 0.000 1.119 236 L CA 0.795 55.688 54.840 0.089 0.000 0.790 236 L CB -0.625 41.480 42.059 0.078 0.000 0.919 236 L HN 0.233 nan 8.230 nan 0.000 0.443 237 R N 0.605 121.158 120.500 0.089 0.000 2.066 237 R HA -0.170 4.173 4.340 0.006 0.000 0.232 237 R C 2.330 178.687 176.300 0.095 0.000 1.131 237 R CA 1.374 57.520 56.100 0.076 0.000 0.955 237 R CB -0.152 30.184 30.300 0.060 0.000 0.851 237 R HN 0.216 nan 8.270 nan 0.000 0.432 238 L N 0.288 121.597 121.223 0.143 0.000 2.044 238 L HA -0.049 4.295 4.340 0.006 0.000 0.205 238 L C 1.616 178.629 176.870 0.238 0.000 1.075 238 L CA 1.604 56.526 54.840 0.136 0.000 0.747 238 L CB 0.023 42.198 42.059 0.194 0.000 0.903 238 L HN -0.009 nan 8.230 nan 0.000 0.435 239 V N -0.087 119.998 119.914 0.285 0.000 3.578 239 V HA 0.505 4.628 4.120 0.006 0.000 0.290 239 V C 0.692 176.927 176.094 0.237 0.000 1.376 239 V CA 0.294 62.806 62.300 0.353 0.000 1.083 239 V CB -0.749 31.340 31.823 0.443 0.000 0.911 239 V HN 0.662 nan 8.190 nan 0.000 0.433 240 G N 1.320 110.224 108.800 0.174 0.000 2.716 240 G HA2 -0.155 3.809 3.960 0.006 0.000 0.686 240 G HA3 -0.155 3.809 3.960 0.006 0.000 0.686 240 G C -0.067 174.895 174.900 0.104 0.000 1.337 240 G CA -0.400 44.772 45.100 0.120 0.000 0.829 240 G HN 0.558 nan 8.290 nan 0.000 0.599 241 T N 0.496 115.088 114.554 0.063 0.000 2.898 241 T HA 0.565 4.919 4.350 0.006 0.000 0.301 241 T C -1.916 172.797 174.700 0.022 0.000 1.049 241 T CA -0.652 61.469 62.100 0.035 0.000 1.095 241 T CB 1.149 70.016 68.868 -0.002 0.000 0.976 241 T HN 0.537 nan 8.240 nan 0.000 0.539 242 P HA 0.352 nan 4.420 nan 0.000 0.268 242 P C 0.462 177.736 177.300 -0.044 0.000 1.205 242 P CA -0.140 62.936 63.100 -0.040 0.000 0.771 242 P CB 0.276 31.886 31.700 -0.151 0.000 0.858 243 G N 0.794 109.579 108.800 -0.025 0.000 2.535 243 G HA2 0.414 4.378 3.960 0.006 0.000 0.303 243 G HA3 0.414 4.378 3.960 0.006 0.000 0.303 243 G C 1.043 175.919 174.900 -0.040 0.000 1.237 243 G CA -0.128 44.958 45.100 -0.023 0.000 0.986 243 G HN 0.456 nan 8.290 nan 0.000 0.494 244 A N -0.574 122.226 122.820 -0.033 0.000 1.917 244 A HA -0.114 4.210 4.320 0.006 0.000 0.219 244 A C 2.140 179.701 177.584 -0.038 0.000 1.182 244 A CA 2.464 54.478 52.037 -0.038 0.000 0.633 244 A CB -0.529 18.455 19.000 -0.027 0.000 0.819 244 A HN 0.616 nan 8.150 nan 0.000 0.448 245 E N -0.294 119.892 120.200 -0.024 0.000 2.031 245 E HA -0.114 4.240 4.350 0.006 0.000 0.193 245 E C 1.940 178.525 176.600 -0.025 0.000 0.994 245 E CA 1.039 57.429 56.400 -0.017 0.000 0.800 245 E CB -0.368 29.331 29.700 -0.002 0.000 0.752 245 E HN 0.558 nan 8.360 nan 0.000 0.447 246 L N 0.009 121.215 121.223 -0.028 0.000 2.083 246 L HA -0.179 4.165 4.340 0.006 0.000 0.209 246 L C 2.227 179.037 176.870 -0.100 0.000 1.083 246 L CA 0.949 55.764 54.840 -0.041 0.000 0.752 246 L CB -0.192 41.846 42.059 -0.035 0.000 0.899 246 L HN 0.252 nan 8.230 nan 0.000 0.433 247 L N -0.305 120.843 121.223 -0.124 0.000 2.042 247 L HA -0.310 4.034 4.340 0.006 0.000 0.210 247 L C 2.635 179.429 176.870 -0.126 0.000 1.076 247 L CA 1.543 56.284 54.840 -0.165 0.000 0.749 247 L CB -0.471 41.503 42.059 -0.142 0.000 0.893 247 L HN 0.237 nan 8.230 nan 0.000 0.432 248 K N 0.174 120.526 120.400 -0.081 0.000 2.074 248 K HA -0.228 4.096 4.320 0.006 0.000 0.209 248 K C 2.011 178.579 176.600 -0.054 0.000 1.048 248 K CA 1.618 57.870 56.287 -0.058 0.000 0.926 248 K CB -0.130 32.348 32.500 -0.037 0.000 0.713 248 K HN 0.325 nan 8.250 nan 0.000 0.444 249 K N 0.512 120.883 120.400 -0.048 0.000 2.365 249 K HA 0.017 4.340 4.320 0.006 0.000 0.199 249 K C 0.513 177.094 176.600 -0.032 0.000 1.045 249 K CA 0.370 56.642 56.287 -0.025 0.000 0.962 249 K CB 0.028 32.530 32.500 0.004 0.000 0.759 249 K HN 0.121 nan 8.250 nan 0.000 0.469 250 I N 2.817 123.330 120.570 -0.095 0.000 2.453 250 I HA -0.097 4.076 4.170 0.006 0.000 0.300 250 I C 1.400 177.468 176.117 -0.082 0.000 1.159 250 I CA -0.123 61.103 61.300 -0.123 0.000 1.379 250 I CB 0.519 38.302 38.000 -0.361 0.000 1.460 250 I HN 0.134 nan 8.210 nan 0.000 0.601 251 S N 2.184 117.862 115.700 -0.036 0.000 2.474 251 S HA -0.097 4.376 4.470 0.006 0.000 0.235 251 S C 1.128 175.704 174.600 -0.040 0.000 0.997 251 S CA 0.083 58.255 58.200 -0.046 0.000 0.949 251 S CB -0.067 63.092 63.200 -0.068 0.000 0.766 251 S HN 0.593 nan 8.310 nan 0.000 0.517 252 S N 1.328 117.019 115.700 -0.016 0.000 2.422 252 S HA 0.208 4.681 4.470 0.006 0.000 0.283 252 S C 0.819 175.408 174.600 -0.019 0.000 1.163 252 S CA -0.578 57.624 58.200 0.004 0.000 1.054 252 S CB 0.834 64.075 63.200 0.068 0.000 0.967 252 S HN 0.567 nan 8.310 nan 0.000 0.499 253 E N 3.878 124.068 120.200 -0.018 0.000 2.204 253 E HA -0.103 4.250 4.350 0.006 0.000 0.195 253 E C 1.736 178.332 176.600 -0.007 0.000 0.990 253 E CA 1.109 57.495 56.400 -0.023 0.000 0.821 253 E CB -0.124 29.566 29.700 -0.017 0.000 0.750 253 E HN 0.695 nan 8.360 nan 0.000 0.477 254 S N -0.525 115.184 115.700 0.015 0.000 2.345 254 S HA -0.084 4.390 4.470 0.006 0.000 0.219 254 S C 1.960 176.604 174.600 0.073 0.000 1.031 254 S CA 1.031 59.255 58.200 0.039 0.000 0.984 254 S CB -0.257 62.967 63.200 0.039 0.000 0.874 254 S HN 0.472 nan 8.310 nan 0.000 0.451 255 A N 1.617 124.487 122.820 0.083 0.000 1.883 255 A HA -0.142 4.182 4.320 0.006 0.000 0.217 255 A C 2.143 179.710 177.584 -0.028 0.000 1.186 255 A CA 1.816 53.925 52.037 0.120 0.000 0.624 255 A CB -0.729 18.383 19.000 0.187 0.000 0.822 255 A HN 0.550 nan 8.150 nan 0.000 0.444 256 R N -0.517 119.908 120.500 -0.125 0.000 2.080 256 R HA -0.226 4.118 4.340 0.006 0.000 0.236 256 R C 2.230 178.465 176.300 -0.108 0.000 1.137 256 R CA 2.010 58.002 56.100 -0.180 0.000 0.943 256 R CB -0.425 29.787 30.300 -0.146 0.000 0.846 256 R HN 0.693 nan 8.270 nan 0.000 0.431 257 N N -0.742 117.934 118.700 -0.040 0.000 2.149 257 N HA -0.248 4.496 4.740 0.006 0.000 0.188 257 N C 1.691 177.214 175.510 0.022 0.000 1.019 257 N CA 1.480 54.523 53.050 -0.011 0.000 0.857 257 N CB -0.227 38.267 38.487 0.013 0.000 0.997 257 N HN 0.308 nan 8.380 nan 0.000 0.426 258 Y N 0.642 120.925 120.300 -0.028 0.000 2.163 258 Y HA 0.019 4.572 4.550 0.006 0.000 0.288 258 Y C 1.899 177.792 175.900 -0.011 0.000 1.136 258 Y CA 1.263 59.360 58.100 -0.004 0.000 1.147 258 Y CB -0.478 37.999 38.460 0.029 0.000 0.987 258 Y HN 0.098 nan 8.280 nan 0.000 0.509 259 I N 0.651 121.044 120.570 -0.295 0.000 2.194 259 I HA -0.401 3.773 4.170 0.006 0.000 0.246 259 I C 2.429 178.361 176.117 -0.310 0.000 1.093 259 I CA 1.808 62.891 61.300 -0.363 0.000 1.355 259 I CB -0.455 37.373 38.000 -0.288 0.000 1.046 259 I HN 0.367 nan 8.210 nan 0.000 0.413 260 Q N -0.111 119.556 119.800 -0.220 0.000 2.226 260 Q HA -0.173 4.171 4.340 0.006 0.000 0.204 260 Q C 2.299 178.210 176.000 -0.148 0.000 0.975 260 Q CA 1.768 57.477 55.803 -0.156 0.000 0.866 260 Q CB -0.278 28.393 28.738 -0.111 0.000 0.915 260 Q HN 0.648 nan 8.270 nan 0.000 0.440 261 S N -0.183 115.405 115.700 -0.187 0.000 2.555 261 S HA 0.007 4.481 4.470 0.006 0.000 0.230 261 S C 0.934 175.438 174.600 -0.160 0.000 0.978 261 S CA -0.001 58.112 58.200 -0.146 0.000 0.934 261 S CB -0.231 62.906 63.200 -0.106 0.000 0.766 261 S HN 0.150 nan 8.310 nan 0.000 0.533 262 L N 2.218 123.312 121.223 -0.216 0.000 2.350 262 L HA 0.322 4.666 4.340 0.006 0.000 0.275 262 L C 0.330 177.148 176.870 -0.087 0.000 1.099 262 L CA -0.689 54.058 54.840 -0.154 0.000 0.808 262 L CB 0.760 42.709 42.059 -0.182 0.000 1.149 262 L HN 0.008 nan 8.230 nan 0.000 0.442 263 T N 2.484 117.008 114.554 -0.051 0.000 2.908 263 T HA 0.008 4.361 4.350 0.006 0.000 0.301 263 T C 0.195 174.878 174.700 -0.029 0.000 1.019 263 T CA -0.177 61.904 62.100 -0.032 0.000 1.152 263 T CB 0.106 68.964 68.868 -0.016 0.000 0.966 263 T HN 0.470 nan 8.240 nan 0.000 0.540 264 Q N 2.655 122.439 119.800 -0.026 0.000 2.361 264 Q HA 0.360 4.704 4.340 0.006 0.000 0.276 264 Q C -0.230 175.770 176.000 -0.001 0.000 1.022 264 Q CA 0.385 56.178 55.803 -0.016 0.000 0.898 264 Q CB 0.498 29.226 28.738 -0.017 0.000 1.246 264 Q HN 0.579 nan 8.270 nan 0.000 0.410 265 M N 2.936 122.543 119.600 0.011 0.000 2.446 265 M HA 0.439 4.922 4.480 0.006 0.000 0.294 265 M C -2.457 173.865 176.300 0.037 0.000 1.158 265 M CA -2.116 53.199 55.300 0.024 0.000 0.899 265 M CB 2.525 35.144 32.600 0.031 0.000 1.687 265 M HN 0.423 nan 8.290 nan 0.000 0.455 266 P HA 0.180 nan 4.420 nan 0.000 0.276 266 P C -1.152 176.196 177.300 0.080 0.000 1.244 266 P CA -0.484 62.647 63.100 0.052 0.000 0.801 266 P CB 0.838 32.564 31.700 0.042 0.000 1.006 267 K N 2.193 122.654 120.400 0.103 0.000 2.550 267 K HA 0.007 4.331 4.320 0.006 0.000 0.280 267 K C 0.450 177.144 176.600 0.157 0.000 0.987 267 K CA 0.322 56.703 56.287 0.158 0.000 1.048 267 K CB 0.020 32.614 32.500 0.156 0.000 0.879 267 K HN 0.437 nan 8.250 nan 0.000 0.491 268 M N 2.576 122.288 119.600 0.187 0.000 2.202 268 M HA 0.011 4.494 4.480 0.006 0.000 0.316 268 M C 0.656 177.095 176.300 0.233 0.000 1.138 268 M CA -0.309 55.072 55.300 0.135 0.000 1.151 268 M CB 0.381 32.996 32.600 0.025 0.000 1.422 268 M HN 0.536 nan 8.290 nan 0.000 0.471 269 N N 0.949 119.734 118.700 0.142 0.000 2.401 269 N HA 0.065 4.809 4.740 0.006 0.000 0.255 269 N C -0.046 175.603 175.510 0.231 0.000 1.110 269 N CA 0.134 53.292 53.050 0.180 0.000 0.949 269 N CB 0.321 38.859 38.487 0.085 0.000 1.110 269 N HN 0.434 nan 8.380 nan 0.000 0.490 270 F N 2.508 122.480 119.950 0.036 0.000 2.269 270 F HA -0.034 4.496 4.527 0.006 0.000 0.301 270 F C 2.273 178.130 175.800 0.095 0.000 1.082 270 F CA 0.878 58.935 58.000 0.095 0.000 1.360 270 F CB -0.783 38.353 39.000 0.227 0.000 1.041 270 F HN 0.677 nan 8.300 nan 0.000 0.512 271 A N -0.052 122.907 122.820 0.231 0.000 2.019 271 A HA -0.212 4.112 4.320 0.006 0.000 0.219 271 A C 1.936 179.545 177.584 0.041 0.000 1.164 271 A CA 1.965 54.078 52.037 0.127 0.000 0.644 271 A CB -0.936 18.119 19.000 0.092 0.000 0.805 271 A HN 0.508 nan 8.150 nan 0.000 0.449 272 N N -0.918 117.780 118.700 -0.004 0.000 2.392 272 N HA 0.053 4.797 4.740 0.006 0.000 0.177 272 N C 1.260 176.666 175.510 -0.173 0.000 1.066 272 N CA 0.620 53.632 53.050 -0.063 0.000 0.895 272 N CB 0.278 38.735 38.487 -0.051 0.000 0.988 272 N HN 0.272 nan 8.380 nan 0.000 0.457 273 V N 0.191 119.917 119.914 -0.312 0.000 2.379 273 V HA -0.043 4.081 4.120 0.006 0.000 0.243 273 V C 0.176 175.828 176.094 -0.737 0.000 1.035 273 V CA 1.210 63.115 62.300 -0.657 0.000 1.035 273 V CB -0.260 30.902 31.823 -1.101 0.000 0.673 273 V HN 0.163 nan 8.190 nan 0.000 0.457 274 F N 0.833 120.726 119.950 -0.095 0.000 2.508 274 F HA 0.435 4.965 4.527 0.006 0.000 0.329 274 F C 0.306 176.080 175.800 -0.043 0.000 1.198 274 F CA -1.003 56.950 58.000 -0.078 0.000 1.268 274 F CB -0.415 38.539 39.000 -0.077 0.000 1.584 274 F HN -0.085 nan 8.300 nan 0.000 0.570 275 I N 2.276 122.866 120.570 0.032 0.000 2.752 275 I HA 0.035 4.209 4.170 0.006 0.000 0.286 275 I C 1.396 177.540 176.117 0.045 0.000 1.180 275 I CA 0.548 61.862 61.300 0.023 0.000 1.404 275 I CB -0.369 37.622 38.000 -0.014 0.000 1.389 275 I HN 0.809 nan 8.210 nan 0.000 0.549 276 G N 4.950 113.778 108.800 0.046 0.000 2.143 276 G HA2 -0.153 3.811 3.960 0.006 0.000 0.249 276 G HA3 -0.153 3.811 3.960 0.006 0.000 0.249 276 G C 0.422 175.350 174.900 0.047 0.000 0.981 276 G CA 0.132 45.256 45.100 0.039 0.000 0.665 276 G HN 1.021 nan 8.290 nan 0.000 0.528 277 A N -0.205 122.652 122.820 0.061 0.000 2.293 277 A HA 0.674 4.998 4.320 0.006 0.000 0.302 277 A C 0.683 178.285 177.584 0.029 0.000 1.119 277 A CA -0.074 51.990 52.037 0.044 0.000 0.823 277 A CB 0.423 19.445 19.000 0.037 0.000 1.097 277 A HN 0.593 nan 8.150 nan 0.000 0.491 278 N N 1.280 119.996 118.700 0.028 0.000 2.131 278 N HA -0.064 4.680 4.740 0.006 0.000 0.276 278 N C -1.722 173.773 175.510 -0.024 0.000 1.295 278 N CA -0.554 52.512 53.050 0.027 0.000 0.818 278 N CB 0.724 39.263 38.487 0.087 0.000 1.049 278 N HN 0.220 nan 8.380 nan 0.000 0.484 279 P HA -0.113 nan 4.420 nan 0.000 0.219 279 P C 1.430 178.717 177.300 -0.023 0.000 1.146 279 P CA 0.500 63.601 63.100 0.002 0.000 0.808 279 P CB 0.335 32.047 31.700 0.020 0.000 0.779 280 L N -0.782 120.429 121.223 -0.020 0.000 2.093 280 L HA -0.051 4.292 4.340 0.006 0.000 0.208 280 L C 2.320 179.020 176.870 -0.283 0.000 1.085 280 L CA 1.583 56.428 54.840 0.009 0.000 0.755 280 L CB -1.967 40.172 42.059 0.134 0.000 0.904 280 L HN -0.089 nan 8.230 nan 0.000 0.435 281 A N -0.756 121.709 122.820 -0.591 0.000 1.858 281 A HA -0.165 4.158 4.320 0.006 0.000 0.216 281 A C 2.376 179.690 177.584 -0.450 0.000 1.190 281 A CA 2.000 53.514 52.037 -0.872 0.000 0.617 281 A CB -0.979 17.590 19.000 -0.720 0.000 0.827 281 A HN 0.187 nan 8.150 nan 0.000 0.443 282 V N 0.817 120.594 119.914 -0.227 0.000 2.250 282 V HA -0.366 3.758 4.120 0.006 0.000 0.250 282 V C 2.382 178.429 176.094 -0.079 0.000 1.060 282 V CA 2.788 65.056 62.300 -0.054 0.000 1.030 282 V CB -1.077 30.795 31.823 0.082 0.000 0.643 282 V HN 0.788 nan 8.190 nan 0.000 0.445 283 D N -0.549 119.798 120.400 -0.087 0.000 2.123 283 D HA -0.195 4.448 4.640 0.006 0.000 0.196 283 D C 1.937 178.143 176.300 -0.156 0.000 0.992 283 D CA 1.249 55.214 54.000 -0.059 0.000 0.833 283 D CB -0.141 40.702 40.800 0.071 0.000 0.954 283 D HN 0.276 nan 8.370 nan 0.000 0.455 284 L N 0.122 121.137 121.223 -0.348 0.000 2.017 284 L HA -0.027 4.317 4.340 0.006 0.000 0.208 284 L C 2.114 178.816 176.870 -0.279 0.000 1.073 284 L CA 1.490 56.032 54.840 -0.496 0.000 0.745 284 L CB -0.588 41.042 42.059 -0.716 0.000 0.894 284 L HN 0.207 nan 8.230 nan 0.000 0.432 285 L N -0.775 120.301 121.223 -0.245 0.000 2.131 285 L HA -0.202 4.141 4.340 0.006 0.000 0.210 285 L C 2.445 179.268 176.870 -0.077 0.000 1.092 285 L CA 1.219 55.976 54.840 -0.138 0.000 0.759 285 L CB -0.558 41.404 42.059 -0.162 0.000 0.903 285 L HN 0.364 nan 8.230 nan 0.000 0.435 286 E N 0.156 120.200 120.200 -0.260 0.000 2.072 286 E HA -0.208 4.146 4.350 0.006 0.000 0.191 286 E C 2.040 178.482 176.600 -0.263 0.000 0.985 286 E CA 0.968 57.028 56.400 -0.567 0.000 0.801 286 E CB -0.038 29.322 29.700 -0.567 0.000 0.750 286 E HN 0.475 nan 8.360 nan 0.000 0.452 287 K N 0.140 120.446 120.400 -0.157 0.000 2.217 287 K HA -0.008 4.316 4.320 0.006 0.000 0.202 287 K C 2.050 178.638 176.600 -0.020 0.000 1.051 287 K CA 0.876 57.123 56.287 -0.066 0.000 0.952 287 K CB 0.006 32.482 32.500 -0.040 0.000 0.736 287 K HN 0.176 nan 8.250 nan 0.000 0.453 288 M N 0.227 119.802 119.600 -0.042 0.000 2.248 288 M HA -0.027 4.456 4.480 0.006 0.000 0.265 288 M C 0.343 176.655 176.300 0.020 0.000 1.079 288 M CA 0.746 56.044 55.300 -0.004 0.000 1.150 288 M CB 0.180 32.751 32.600 -0.048 0.000 1.366 288 M HN -0.063 nan 8.290 nan 0.000 0.433 289 L N 1.883 123.090 121.223 -0.026 0.000 2.536 289 L HA 0.255 4.599 4.340 0.006 0.000 0.242 289 L C -0.576 176.440 176.870 0.243 0.000 1.280 289 L CA -0.126 54.672 54.840 -0.070 0.000 1.221 289 L CB -0.824 41.200 42.059 -0.058 0.000 1.449 289 L HN -0.083 nan 8.230 nan 0.000 0.405 290 V N 1.660 121.777 119.914 0.338 0.000 2.370 290 V HA 0.152 4.276 4.120 0.006 0.000 0.283 290 V C 1.317 177.673 176.094 0.436 0.000 1.023 290 V CA -0.578 61.905 62.300 0.306 0.000 0.857 290 V CB 2.221 34.149 31.823 0.176 0.000 0.985 290 V HN 0.421 nan 8.190 nan 0.000 0.443 291 L N 3.274 124.726 121.223 0.381 0.000 1.990 291 L HA -0.095 4.248 4.340 0.006 0.000 0.213 291 L C 1.334 178.327 176.870 0.206 0.000 1.072 291 L CA 1.869 56.876 54.840 0.278 0.000 0.755 291 L CB -0.286 41.913 42.059 0.234 0.000 0.889 291 L HN 0.782 nan 8.230 nan 0.000 0.432 292 D N -1.185 119.322 120.400 0.179 0.000 2.363 292 D HA -0.016 4.628 4.640 0.006 0.000 0.263 292 D C 1.459 177.849 176.300 0.151 0.000 1.258 292 D CA 0.788 54.875 54.000 0.145 0.000 0.907 292 D CB 1.178 42.041 40.800 0.106 0.000 1.107 292 D HN 0.415 nan 8.370 nan 0.000 0.495 293 S N 3.033 118.820 115.700 0.145 0.000 2.368 293 S HA -0.207 4.267 4.470 0.006 0.000 0.225 293 S C 1.329 176.001 174.600 0.121 0.000 1.030 293 S CA 0.840 59.126 58.200 0.143 0.000 0.999 293 S CB -0.040 63.238 63.200 0.130 0.000 0.844 293 S HN 0.477 nan 8.310 nan 0.000 0.459 294 D N 2.008 122.468 120.400 0.100 0.000 2.190 294 D HA -0.089 4.555 4.640 0.006 0.000 0.200 294 D C 1.638 177.985 176.300 0.078 0.000 0.992 294 D CA 1.206 55.254 54.000 0.078 0.000 0.854 294 D CB -0.198 40.641 40.800 0.065 0.000 0.936 294 D HN 0.612 nan 8.370 nan 0.000 0.462 295 K N 0.111 120.564 120.400 0.088 0.000 2.404 295 K HA 0.122 4.446 4.320 0.006 0.000 0.194 295 K C 0.619 177.273 176.600 0.090 0.000 1.023 295 K CA -0.192 56.144 56.287 0.081 0.000 1.094 295 K CB 0.669 33.214 32.500 0.075 0.000 0.841 295 K HN 0.023 nan 8.250 nan 0.000 0.523 296 R N 1.329 121.897 120.500 0.113 0.000 2.643 296 R HA 0.134 4.478 4.340 0.006 0.000 0.270 296 R C 0.492 176.849 176.300 0.095 0.000 1.061 296 R CA -0.225 55.947 56.100 0.121 0.000 1.107 296 R CB 0.519 30.918 30.300 0.164 0.000 0.999 296 R HN 0.103 nan 8.270 nan 0.000 0.460 297 I N 1.708 122.327 120.570 0.081 0.000 2.932 297 I HA -0.122 4.052 4.170 0.006 0.000 0.295 297 I C 0.848 177.021 176.117 0.094 0.000 1.227 297 I CA 0.760 62.108 61.300 0.079 0.000 1.429 297 I CB 0.690 38.731 38.000 0.068 0.000 1.339 297 I HN 0.741 nan 8.210 nan 0.000 0.589 298 T N 3.479 118.088 114.554 0.092 0.000 2.881 298 T HA 0.512 4.866 4.350 0.006 0.000 0.278 298 T C 0.881 175.636 174.700 0.091 0.000 0.982 298 T CA -0.213 61.950 62.100 0.105 0.000 0.989 298 T CB 1.638 70.563 68.868 0.096 0.000 1.058 298 T HN 0.677 nan 8.240 nan 0.000 0.529 299 A N 0.749 123.624 122.820 0.091 0.000 1.873 299 A HA 0.283 4.607 4.320 0.006 0.000 0.215 299 A C 2.635 180.222 177.584 0.005 0.000 1.186 299 A CA 1.575 53.621 52.037 0.015 0.000 0.616 299 A CB -1.564 17.402 19.000 -0.056 0.000 0.823 299 A HN 1.228 nan 8.150 nan 0.000 0.442 300 A N -0.386 122.455 122.820 0.034 0.000 1.883 300 A HA -0.258 4.066 4.320 0.006 0.000 0.217 300 A C 2.124 179.740 177.584 0.053 0.000 1.186 300 A CA 1.890 53.953 52.037 0.043 0.000 0.624 300 A CB -0.669 18.367 19.000 0.060 0.000 0.822 300 A HN 0.653 nan 8.150 nan 0.000 0.444 301 Q N -0.642 119.197 119.800 0.066 0.000 2.079 301 Q HA -0.017 4.327 4.340 0.006 0.000 0.200 301 Q C 2.354 178.417 176.000 0.105 0.000 0.974 301 Q CA 1.404 57.255 55.803 0.079 0.000 0.840 301 Q CB -0.413 28.375 28.738 0.084 0.000 0.898 301 Q HN 0.674 nan 8.270 nan 0.000 0.430 302 A N 0.807 123.694 122.820 0.112 0.000 1.972 302 A HA -0.131 4.192 4.320 0.006 0.000 0.219 302 A C 2.026 179.780 177.584 0.283 0.000 1.169 302 A CA 0.943 53.098 52.037 0.197 0.000 0.635 302 A CB -0.593 18.507 19.000 0.167 0.000 0.810 302 A HN 0.305 nan 8.150 nan 0.000 0.446 303 L N -1.073 120.194 121.223 0.074 0.000 2.131 303 L HA -0.164 4.179 4.340 0.006 0.000 0.210 303 L C 2.639 179.369 176.870 -0.232 0.000 1.092 303 L CA 0.985 55.807 54.840 -0.030 0.000 0.759 303 L CB -0.316 41.711 42.059 -0.053 0.000 0.903 303 L HN 0.440 nan 8.230 nan 0.000 0.435 304 A N -2.247 120.426 122.820 -0.244 0.000 2.278 304 A HA -0.032 4.291 4.320 0.006 0.000 0.212 304 A C 0.814 178.399 177.584 0.001 0.000 1.213 304 A CA -0.138 51.684 52.037 -0.359 0.000 0.840 304 A CB -0.645 18.297 19.000 -0.097 0.000 0.866 304 A HN 0.316 nan 8.150 nan 0.000 0.489 305 H N -0.324 118.803 119.070 0.095 0.000 2.562 305 H HA 0.418 4.978 4.556 0.006 0.000 0.352 305 H C 1.296 176.694 175.328 0.117 0.000 1.125 305 H CA 0.362 56.478 56.048 0.114 0.000 1.379 305 H CB 1.458 31.302 29.762 0.137 0.000 1.464 305 H HN 0.114 nan 8.280 nan 0.000 0.563 306 A N 4.726 127.412 122.820 -0.224 0.000 2.070 306 A HA -0.240 4.083 4.320 0.006 0.000 0.220 306 A C 1.866 179.512 177.584 0.104 0.000 1.159 306 A CA 1.057 53.057 52.037 -0.063 0.000 0.656 306 A CB -0.877 18.022 19.000 -0.169 0.000 0.800 306 A HN 0.824 nan 8.150 nan 0.000 0.453 307 Y N -0.475 119.873 120.300 0.080 0.000 2.315 307 Y HA -0.181 4.373 4.550 0.006 0.000 0.288 307 Y C 0.928 176.698 175.900 -0.215 0.000 1.154 307 Y CA 1.131 59.134 58.100 -0.161 0.000 1.229 307 Y CB -0.348 37.829 38.460 -0.471 0.000 0.980 307 Y HN 0.326 nan 8.280 nan 0.000 0.540 308 F N -1.139 118.932 119.950 0.201 0.000 2.641 308 F HA 0.381 4.912 4.527 0.006 0.000 0.302 308 F C 1.998 177.846 175.800 0.080 0.000 1.098 308 F CA 0.058 58.144 58.000 0.143 0.000 1.318 308 F CB -0.911 38.268 39.000 0.298 0.000 1.035 308 F HN 0.047 nan 8.300 nan 0.000 0.551 309 A N -0.066 122.845 122.820 0.151 0.000 1.940 309 A HA -0.269 4.055 4.320 0.006 0.000 0.219 309 A C 2.123 179.690 177.584 -0.027 0.000 1.176 309 A CA 1.695 53.789 52.037 0.095 0.000 0.631 309 A CB -0.507 18.517 19.000 0.041 0.000 0.814 309 A HN 0.348 nan 8.150 nan 0.000 0.446 310 Q N -1.620 118.073 119.800 -0.179 0.000 2.181 310 Q HA -0.184 4.160 4.340 0.006 0.000 0.205 310 Q C 1.378 177.015 176.000 -0.604 0.000 0.980 310 Q CA 2.128 57.658 55.803 -0.454 0.000 0.862 310 Q CB -0.384 27.909 28.738 -0.742 0.000 0.905 310 Q HN 0.898 nan 8.270 nan 0.000 0.429 311 Y N -2.136 118.056 120.300 -0.181 0.000 2.498 311 Y HA 0.148 4.702 4.550 0.006 0.000 0.259 311 Y C 0.709 176.324 175.900 -0.475 0.000 1.086 311 Y CA -0.360 57.454 58.100 -0.476 0.000 1.287 311 Y CB 0.024 37.925 38.460 -0.931 0.000 1.146 311 Y HN 0.121 nan 8.280 nan 0.000 0.523 312 H N 1.895 120.888 119.070 -0.129 0.000 2.964 312 H HA 0.082 4.641 4.556 0.006 0.000 0.328 312 H C -0.928 174.455 175.328 0.092 0.000 1.030 312 H CA 0.629 56.741 56.048 0.107 0.000 1.445 312 H CB 0.584 30.475 29.762 0.216 0.000 1.449 312 H HN 0.172 nan 8.280 nan 0.000 0.581 313 D N 7.449 127.713 120.400 -0.226 0.000 2.365 313 D HA 0.123 4.767 4.640 0.006 0.000 0.235 313 D C -2.168 174.008 176.300 -0.206 0.000 1.368 313 D CA -1.870 51.966 54.000 -0.274 0.000 1.001 313 D CB 1.640 42.399 40.800 -0.069 0.000 1.364 313 D HN 0.290 nan 8.370 nan 0.000 0.577 314 P HA 0.006 nan 4.420 nan 0.000 0.230 314 P C 0.158 177.467 177.300 0.015 0.000 1.158 314 P CA 0.582 63.660 63.100 -0.037 0.000 0.769 314 P CB 0.505 32.211 31.700 0.009 0.000 0.807 315 D N -0.478 119.915 120.400 -0.012 0.000 2.340 315 D HA 0.005 4.648 4.640 0.006 0.000 0.217 315 D C 0.215 176.528 176.300 0.021 0.000 1.081 315 D CA 0.527 54.533 54.000 0.011 0.000 0.842 315 D CB 0.117 40.917 40.800 -0.001 0.000 0.934 315 D HN 0.165 nan 8.370 nan 0.000 0.511 316 D N 0.683 121.105 120.400 0.035 0.000 2.895 316 D HA 0.084 4.727 4.640 0.006 0.000 0.350 316 D C -0.656 175.697 176.300 0.088 0.000 1.389 316 D CA -0.116 53.913 54.000 0.048 0.000 0.812 316 D CB 0.077 40.902 40.800 0.042 0.000 1.164 316 D HN -0.125 nan 8.370 nan 0.000 0.455 317 E N 1.240 121.503 120.200 0.105 0.000 3.352 317 E HA 0.238 4.592 4.350 0.006 0.000 0.254 317 E C -2.437 174.258 176.600 0.157 0.000 1.229 317 E CA -1.560 54.925 56.400 0.141 0.000 0.949 317 E CB 1.507 31.303 29.700 0.161 0.000 1.373 317 E HN 0.192 nan 8.360 nan 0.000 0.392 318 P HA 0.054 nan 4.420 nan 0.000 0.274 318 P C -0.147 177.337 177.300 0.307 0.000 1.246 318 P CA -0.421 62.813 63.100 0.222 0.000 0.795 318 P CB 0.762 32.593 31.700 0.218 0.000 1.006 319 V N -2.564 117.477 119.914 0.211 0.000 3.193 319 V HA 0.917 5.040 4.120 0.006 0.000 0.320 319 V C -0.216 175.858 176.094 -0.034 0.000 1.112 319 V CA -1.304 61.041 62.300 0.074 0.000 1.026 319 V CB 1.022 32.857 31.823 0.019 0.000 1.128 319 V HN 0.691 nan 8.190 nan 0.000 0.452 320 A N 0.485 123.087 122.820 -0.364 0.000 2.294 320 A HA 0.659 4.982 4.320 0.006 0.000 0.330 320 A C -0.268 177.252 177.584 -0.106 0.000 1.133 320 A CA -0.661 51.082 52.037 -0.490 0.000 0.836 320 A CB 0.338 18.791 19.000 -0.911 0.000 1.190 320 A HN 0.950 nan 8.150 nan 0.000 0.492 321 D N 1.799 122.183 120.400 -0.027 0.000 2.419 321 D HA 0.231 4.875 4.640 0.006 0.000 0.236 321 D C -2.111 174.328 176.300 0.231 0.000 1.165 321 D CA -0.249 53.791 54.000 0.066 0.000 0.882 321 D CB 0.136 40.933 40.800 -0.005 0.000 1.201 321 D HN 0.282 nan 8.370 nan 0.000 0.443 322 P HA 0.027 nan 4.420 nan 0.000 0.271 322 P C -0.935 176.535 177.300 0.283 0.000 1.216 322 P CA -0.173 63.032 63.100 0.175 0.000 0.776 322 P CB 0.219 31.979 31.700 0.100 0.000 0.881 323 Y N 2.263 122.534 120.300 -0.048 0.000 2.334 323 Y HA 0.265 4.819 4.550 0.006 0.000 0.336 323 Y C -0.135 175.729 175.900 -0.061 0.000 0.960 323 Y CA -0.935 57.019 58.100 -0.243 0.000 1.164 323 Y CB 0.823 38.870 38.460 -0.687 0.000 1.155 323 Y HN 0.253 nan 8.280 nan 0.000 0.478 324 D N 6.307 126.486 120.400 -0.368 0.000 2.402 324 D HA 0.002 4.646 4.640 0.006 0.000 0.235 324 D C 0.151 176.196 176.300 -0.425 0.000 1.226 324 D CA 0.077 53.919 54.000 -0.263 0.000 0.918 324 D CB 0.733 41.495 40.800 -0.063 0.000 1.043 324 D HN 0.867 nan 8.370 nan 0.000 0.506 325 Q N 1.875 121.428 119.800 -0.413 0.000 2.212 325 Q HA 0.030 4.373 4.340 0.006 0.000 0.213 325 Q C 0.915 176.692 176.000 -0.373 0.000 0.874 325 Q CA -0.265 55.263 55.803 -0.458 0.000 0.965 325 Q CB 0.078 28.592 28.738 -0.374 0.000 1.074 325 Q HN 0.311 nan 8.270 nan 0.000 0.473 326 S N 0.985 116.606 115.700 -0.133 0.000 2.419 326 S HA -0.224 4.249 4.470 0.006 0.000 0.235 326 S C 1.670 176.273 174.600 0.005 0.000 1.019 326 S CA 1.047 59.214 58.200 -0.054 0.000 0.982 326 S CB -1.051 62.157 63.200 0.014 0.000 0.789 326 S HN 0.665 nan 8.310 nan 0.000 0.490 327 F N 2.233 122.251 119.950 0.114 0.000 2.250 327 F HA 0.071 4.602 4.527 0.006 0.000 0.301 327 F C 2.055 178.041 175.800 0.311 0.000 1.077 327 F CA 1.083 59.240 58.000 0.261 0.000 1.348 327 F CB -0.657 38.626 39.000 0.471 0.000 1.040 327 F HN 0.050 nan 8.300 nan 0.000 0.509 328 E N 1.188 121.037 120.200 -0.586 0.000 2.160 328 E HA -0.170 4.184 4.350 0.006 0.000 0.195 328 E C 2.194 178.773 176.600 -0.034 0.000 0.991 328 E CA 1.629 57.808 56.400 -0.368 0.000 0.810 328 E CB -0.492 28.933 29.700 -0.459 0.000 0.742 328 E HN 0.654 nan 8.360 nan 0.000 0.466 329 S N -0.094 115.599 115.700 -0.012 0.000 2.575 329 S HA 0.152 4.626 4.470 0.006 0.000 0.215 329 S C 0.925 175.578 174.600 0.088 0.000 0.966 329 S CA -0.250 57.968 58.200 0.030 0.000 0.911 329 S CB 0.305 63.500 63.200 -0.009 0.000 0.780 329 S HN 0.005 nan 8.310 nan 0.000 0.514 330 R N 2.098 122.699 120.500 0.169 0.000 2.389 330 R HA 0.248 4.591 4.340 0.006 0.000 0.295 330 R C -1.014 175.396 176.300 0.183 0.000 1.075 330 R CA -0.182 55.999 56.100 0.135 0.000 1.005 330 R CB 0.399 30.751 30.300 0.086 0.000 0.987 330 R HN 0.141 nan 8.270 nan 0.000 0.452 331 D N 4.585 125.028 120.400 0.072 0.000 2.479 331 D HA 0.193 4.836 4.640 0.006 0.000 0.218 331 D C -0.794 175.482 176.300 -0.040 0.000 1.131 331 D CA -0.177 53.871 54.000 0.080 0.000 0.916 331 D CB 0.262 41.093 40.800 0.051 0.000 1.022 331 D HN 0.257 nan 8.370 nan 0.000 0.515 332 L N 2.717 123.882 121.223 -0.096 0.000 2.322 332 L HA 0.506 4.849 4.340 0.006 0.000 0.269 332 L C 0.282 177.071 176.870 -0.134 0.000 1.012 332 L CA -1.332 53.277 54.840 -0.385 0.000 0.815 332 L CB 1.511 42.830 42.059 -1.233 0.000 1.295 332 L HN 0.173 nan 8.230 nan 0.000 0.438 333 L N 1.250 122.382 121.223 -0.153 0.000 2.466 333 L HA 0.224 4.568 4.340 0.006 0.000 0.257 333 L C 1.497 178.412 176.870 0.075 0.000 1.189 333 L CA -0.318 54.515 54.840 -0.011 0.000 0.813 333 L CB 0.490 42.526 42.059 -0.039 0.000 1.118 333 L HN 0.558 nan 8.230 nan 0.000 0.471 334 I N 0.312 120.974 120.570 0.154 0.000 2.113 334 I HA -0.344 3.830 4.170 0.006 0.000 0.242 334 I C 1.830 178.002 176.117 0.091 0.000 1.064 334 I CA 1.623 63.039 61.300 0.194 0.000 1.320 334 I CB -0.312 37.763 38.000 0.124 0.000 1.028 334 I HN 0.767 nan 8.210 nan 0.000 0.406 335 D N 0.502 120.898 120.400 -0.006 0.000 2.178 335 D HA -0.167 4.477 4.640 0.006 0.000 0.201 335 D C 2.049 178.291 176.300 -0.096 0.000 0.980 335 D CA 1.222 55.180 54.000 -0.070 0.000 0.842 335 D CB -0.135 40.620 40.800 -0.074 0.000 0.948 335 D HN 0.533 nan 8.370 nan 0.000 0.472 336 E N -0.267 119.852 120.200 -0.135 0.000 2.072 336 E HA -0.133 4.221 4.350 0.006 0.000 0.190 336 E C 2.089 178.537 176.600 -0.253 0.000 0.982 336 E CA 0.584 56.838 56.400 -0.243 0.000 0.803 336 E CB -0.141 29.344 29.700 -0.358 0.000 0.755 336 E HN 0.417 nan 8.360 nan 0.000 0.453 337 W N 1.674 122.918 121.300 -0.093 0.000 2.388 337 W HA -0.093 4.570 4.660 0.006 0.000 0.294 337 W C 2.495 178.985 176.519 -0.048 0.000 1.212 337 W CA 0.608 57.892 57.345 -0.101 0.000 1.271 337 W CB 0.090 29.566 29.460 0.028 0.000 1.126 337 W HN -0.013 nan 8.180 nan 0.000 0.535 338 K N 0.335 120.789 120.400 0.090 0.000 2.057 338 K HA -0.215 4.108 4.320 0.006 0.000 0.207 338 K C 2.330 178.935 176.600 0.009 0.000 1.049 338 K CA 1.838 57.967 56.287 -0.264 0.000 0.931 338 K CB -0.478 31.629 32.500 -0.656 0.000 0.714 338 K HN -0.011 nan 8.250 nan 0.000 0.440 339 S N -0.022 115.668 115.700 -0.017 0.000 2.368 339 S HA -0.087 4.387 4.470 0.006 0.000 0.224 339 S C 1.892 176.536 174.600 0.072 0.000 1.029 339 S CA 0.712 58.924 58.200 0.020 0.000 0.988 339 S CB -0.265 62.904 63.200 -0.051 0.000 0.838 339 S HN 0.292 nan 8.310 nan 0.000 0.462 340 L N 1.859 123.079 121.223 -0.005 0.000 2.042 340 L HA -0.065 4.279 4.340 0.006 0.000 0.210 340 L C 2.722 179.727 176.870 0.225 0.000 1.076 340 L CA 2.132 56.960 54.840 -0.019 0.000 0.749 340 L CB -1.694 40.133 42.059 -0.386 0.000 0.893 340 L HN 0.343 nan 8.230 nan 0.000 0.432 341 T N -2.022 112.743 114.554 0.352 0.000 2.708 341 T HA -0.257 4.097 4.350 0.006 0.000 0.266 341 T C 1.728 176.629 174.700 0.335 0.000 1.037 341 T CA 1.543 63.964 62.100 0.536 0.000 1.146 341 T CB -0.476 68.843 68.868 0.751 0.000 0.865 341 T HN 0.288 nan 8.240 nan 0.000 0.435 342 Y N 2.444 122.765 120.300 0.036 0.000 2.114 342 Y HA -0.235 4.318 4.550 0.006 0.000 0.282 342 Y C 2.101 177.884 175.900 -0.195 0.000 1.165 342 Y CA 1.614 59.445 58.100 -0.449 0.000 1.148 342 Y CB -0.557 37.587 38.460 -0.526 0.000 0.972 342 Y HN 0.173 nan 8.280 nan 0.000 0.504 343 D N -0.186 120.204 120.400 -0.016 0.000 2.144 343 D HA -0.163 4.481 4.640 0.006 0.000 0.199 343 D C 2.066 178.345 176.300 -0.036 0.000 0.984 343 D CA 1.509 55.481 54.000 -0.048 0.000 0.834 343 D CB -0.185 40.647 40.800 0.054 0.000 0.955 343 D HN 0.482 nan 8.370 nan 0.000 0.465 344 E N 0.367 120.606 120.200 0.065 0.000 2.106 344 E HA -0.077 4.276 4.350 0.006 0.000 0.192 344 E C 2.443 179.082 176.600 0.066 0.000 0.984 344 E CA 0.249 56.711 56.400 0.104 0.000 0.806 344 E CB -0.135 29.663 29.700 0.163 0.000 0.750 344 E HN 0.169 nan 8.360 nan 0.000 0.458 345 V N 1.479 121.383 119.914 -0.015 0.000 2.233 345 V HA -0.256 3.867 4.120 0.006 0.000 0.247 345 V C 2.436 178.495 176.094 -0.059 0.000 1.050 345 V CA 1.546 63.818 62.300 -0.048 0.000 1.010 345 V CB -0.429 31.313 31.823 -0.136 0.000 0.637 345 V HN 0.134 nan 8.190 nan 0.000 0.444 346 I N 1.057 121.476 120.570 -0.253 0.000 2.286 346 I HA -0.184 3.990 4.170 0.006 0.000 0.248 346 I C 2.373 178.457 176.117 -0.055 0.000 1.115 346 I CA 1.889 63.050 61.300 -0.231 0.000 1.392 346 I CB -0.309 37.395 38.000 -0.494 0.000 1.065 346 I HN 0.449 nan 8.210 nan 0.000 0.418 347 S N -0.568 115.122 115.700 -0.016 0.000 2.593 347 S HA 0.018 4.492 4.470 0.006 0.000 0.217 347 S C 0.769 175.414 174.600 0.075 0.000 0.966 347 S CA -0.472 57.743 58.200 0.026 0.000 0.914 347 S CB -0.917 62.298 63.200 0.026 0.000 0.776 347 S HN 0.221 nan 8.310 nan 0.000 0.523 348 F N 3.289 123.236 119.950 -0.006 0.000 2.572 348 F HA 0.379 4.910 4.527 0.007 0.000 0.370 348 F C -0.270 175.544 175.800 0.024 0.000 1.103 348 F CA -0.525 57.488 58.000 0.021 0.000 1.286 348 F CB 0.669 39.692 39.000 0.038 0.000 1.105 348 F HN -0.019 nan 8.300 nan 0.000 0.583 349 V N 6.945 126.293 119.914 -0.943 0.000 2.384 349 V HA 0.353 4.477 4.120 0.006 0.000 0.287 349 V C -2.184 173.254 176.094 -1.094 0.000 1.020 349 V CA -2.120 59.737 62.300 -0.739 0.000 0.850 349 V CB 1.096 32.686 31.823 -0.390 0.000 0.987 349 V HN 0.658 nan 8.190 nan 0.000 0.436 350 P HA 0.171 nan 4.420 nan 0.000 0.267 350 P C -2.294 174.922 177.300 -0.139 0.000 1.200 350 P CA -0.530 62.480 63.100 -0.150 0.000 0.772 350 P CB -0.190 31.522 31.700 0.020 0.000 0.855 351 P HA 0.209 nan 4.420 nan 0.000 0.272 351 P C -2.457 174.840 177.300 -0.005 0.000 1.240 351 P CA -1.251 61.844 63.100 -0.007 0.000 0.791 351 P CB -0.879 30.854 31.700 0.056 0.000 0.978 352 P HA 0.141 nan 4.420 nan 0.000 0.267 352 P C -0.391 176.912 177.300 0.005 0.000 1.205 352 P CA 0.106 63.202 63.100 -0.007 0.000 0.765 352 P CB 0.266 31.959 31.700 -0.010 0.000 0.828 353 L N 3.926 125.149 121.223 0.001 0.000 2.265 353 L HA 0.275 4.619 4.340 0.006 0.000 0.288 353 L C 0.173 177.044 176.870 0.001 0.000 1.058 353 L CA -0.025 54.817 54.840 0.003 0.000 0.809 353 L CB 0.970 43.025 42.059 -0.006 0.000 1.179 353 L HN 0.406 nan 8.230 nan 0.000 0.429 354 D N 0.000 120.404 120.400 0.006 0.000 6.856 354 D HA 0.000 4.644 4.640 0.006 0.000 0.175 354 D CA 0.000 54.002 54.000 0.004 0.000 0.868 354 D CB 0.000 40.803 40.800 0.005 0.000 0.688 354 D HN 0.000 nan 8.370 nan 0.000 0.683