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 1n9e_1_A DATA FIRST_RESID 41 DATA SEQUENCE ASAEcVSNEN VEIEAPKTNI WTSLAKEEVQ EVLDLLHSTY NITEVTKADF DATA SEQUENCE FSNYVLWIET LKPNKTEALT YLDEDGDLPP RNARTVVYFG EGEEGYFEEL DATA SEQUENCE KVGPLPVSDE TTIEPLSFYN TNGKSKLPFE VGHLDRIKSA AKSSFLNKNL DATA SEQUENCE NTTIMRDVLE GLIGVPYEDM GcHSAAPQLH DPATGATVDY GTcNINTEND DATA SEQUENCE AENLVPTGFF FKFDMTGRDV SQWKMLEYIY NNKVYTSAEE LYEAMQKDDF DATA SEQUENCE VTLPKIDVDN LDWTVIQRND SAPIRHLDDR KSPRLVEPEG RRWAYDGEEE DATA SEQUENCE YFSWMDWGFY TSWSRDTGIS FYDITFKGER IVYELSLQEL IAEYGSDDPF DATA SEQUENCE NQHTFYSDIS YGVGNRFSLV PGYDcPATAG YFTTDTFEYD EFYNRTLSYc DATA SEQUENCE VFENQEDYSL LRHTGASYSA ITQNPTLNVR FISTIGNXDY NFLYKFFLDG DATA SEQUENCE TLEVSVRAAG YIQAGYWNPE TSAPYGLKIH DVLSGSFHDH VLNYKVDLDV DATA SEQUENCE GGTKNRASKY VMKDVDVEYP WAPGTVYNTK QIAREVLEKE DFNGINWPEN DATA SEQUENCE GQGILLIESA EETNSFGNPR AYNIMPGGGG VHRIVKNSRS GPETQNWARS DATA SEQUENCE NLFLTKHKDE ELRSSTALNT NALYDPPVNF NAFLDDESLD GEDIVAWVNL DATA SEQUENCE GLHHLPNSND LPNTIFSTAH ASFMLTPFNY FDSENSRDTT QQVFYTYDDE DATA SEQUENCE TEESNWEFYG NDWSScGLEV PEPNFEDYTY GRGTR 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 41 A HA 0.000 nan 4.320 nan 0.000 0.244 41 A C 0.000 177.581 177.584 -0.004 0.000 1.274 41 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 41 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 42 S N 1.364 117.061 115.700 -0.006 0.000 2.550 42 S HA 0.430 4.900 4.470 -0.001 0.000 0.285 42 S C 0.750 175.345 174.600 -0.009 0.000 1.326 42 S CA 0.168 58.363 58.200 -0.008 0.000 1.037 42 S CB 0.507 63.701 63.200 -0.010 0.000 0.838 42 S HN 1.584 nan 8.310 nan 0.000 0.519 43 A N 1.494 124.308 122.820 -0.010 0.000 2.448 43 A HA 0.283 4.602 4.320 -0.001 0.000 0.239 43 A C 0.466 178.041 177.584 -0.016 0.000 1.080 43 A CA -0.214 51.816 52.037 -0.011 0.000 0.779 43 A CB -0.063 18.930 19.000 -0.011 0.000 1.026 43 A HN 0.787 nan 8.150 nan 0.000 0.499 44 E N -0.129 120.062 120.200 -0.016 0.000 2.383 44 E HA 0.284 4.633 4.350 -0.001 0.000 0.264 44 E C -0.163 176.422 176.600 -0.026 0.000 1.050 44 E CA -0.128 56.260 56.400 -0.020 0.000 0.896 44 E CB 0.286 29.975 29.700 -0.017 0.000 0.982 44 E HN 0.654 nan 8.360 nan 0.000 0.424 45 c N 2.480 121.060 118.600 -0.033 0.000 2.741 45 c HA 0.079 4.649 4.570 -0.001 0.000 0.403 45 c C 0.136 174.204 174.090 -0.038 0.000 1.282 45 c CA -0.942 55.361 56.329 -0.044 0.000 2.053 45 c CB -0.112 42.365 42.510 -0.056 0.000 2.731 45 c HN 0.434 nan 8.230 nan 0.000 0.680 46 V N 3.771 123.660 119.914 -0.042 0.000 2.387 46 V HA 0.202 4.321 4.120 -0.001 0.000 0.260 46 V C 0.764 176.839 176.094 -0.033 0.000 1.054 46 V CA 0.226 62.506 62.300 -0.033 0.000 0.967 46 V CB 0.091 31.896 31.823 -0.030 0.000 1.036 46 V HN 1.051 nan 8.190 nan 0.000 0.481 47 S N 5.691 121.374 115.700 -0.028 0.000 2.592 47 S HA 0.428 4.898 4.470 -0.001 0.000 0.271 47 S C -0.247 174.337 174.600 -0.027 0.000 1.326 47 S CA -0.665 57.519 58.200 -0.028 0.000 1.024 47 S CB 0.916 64.102 63.200 -0.024 0.000 0.921 47 S HN 0.721 nan 8.310 nan 0.000 0.527 48 N N 1.027 119.710 118.700 -0.030 0.000 2.329 48 N HA 0.321 5.061 4.740 -0.001 0.000 0.282 48 N C -1.327 174.160 175.510 -0.038 0.000 1.198 48 N CA -0.660 52.371 53.050 -0.031 0.000 0.790 48 N CB 1.904 40.372 38.487 -0.030 0.000 1.579 48 N HN 0.659 nan 8.380 nan 0.000 0.475 49 E N 0.753 120.929 120.200 -0.040 0.000 2.314 49 E HA 0.256 4.606 4.350 -0.001 0.000 0.262 49 E C -0.231 176.329 176.600 -0.066 0.000 1.093 49 E CA -0.421 55.951 56.400 -0.047 0.000 0.908 49 E CB 0.756 30.432 29.700 -0.040 0.000 1.091 49 E HN 0.334 nan 8.360 nan 0.000 0.425 50 N N 0.191 118.844 118.700 -0.078 0.000 2.458 50 N HA 0.042 4.782 4.740 -0.001 0.000 0.258 50 N C -0.491 174.956 175.510 -0.104 0.000 1.219 50 N CA 0.040 53.021 53.050 -0.115 0.000 0.902 50 N CB 0.534 38.962 38.487 -0.098 0.000 1.076 50 N HN 0.080 nan 8.380 nan 0.000 0.455 51 V N 1.897 121.736 119.914 -0.124 0.000 2.427 51 V HA 0.253 4.373 4.120 -0.001 0.000 0.286 51 V C 0.470 176.467 176.094 -0.162 0.000 1.034 51 V CA -0.566 61.670 62.300 -0.108 0.000 0.893 51 V CB 1.208 32.990 31.823 -0.067 0.000 0.982 51 V HN 0.545 nan 8.190 nan 0.000 0.452 52 E N 4.188 124.269 120.200 -0.198 0.000 2.207 52 E HA 0.745 5.095 4.350 -0.001 0.000 0.270 52 E C -0.795 175.702 176.600 -0.172 0.000 0.927 52 E CA -0.615 55.596 56.400 -0.314 0.000 0.799 52 E CB 2.604 32.079 29.700 -0.376 0.000 1.172 52 E HN 0.706 nan 8.360 nan 0.000 0.404 53 I N -2.343 118.135 120.570 -0.152 0.000 3.239 53 I HA 0.530 4.700 4.170 -0.001 0.000 0.314 53 I C -0.684 175.406 176.117 -0.045 0.000 1.126 53 I CA -1.118 60.147 61.300 -0.057 0.000 0.973 53 I CB 2.032 40.041 38.000 0.014 0.000 1.252 53 I HN 0.171 nan 8.210 nan 0.000 0.463 54 E N 2.146 122.330 120.200 -0.027 0.000 2.156 54 E HA 0.509 4.859 4.350 -0.001 0.000 0.279 54 E C -0.437 176.117 176.600 -0.077 0.000 0.965 54 E CA -0.661 55.718 56.400 -0.034 0.000 0.789 54 E CB 2.033 31.715 29.700 -0.032 0.000 1.098 54 E HN 0.776 nan 8.360 nan 0.000 0.397 55 A N 4.561 127.308 122.820 -0.121 0.000 2.483 55 A HA 0.205 4.525 4.320 -0.001 0.000 0.238 55 A C -1.321 176.098 177.584 -0.275 0.000 1.070 55 A CA -0.791 50.991 52.037 -0.426 0.000 0.770 55 A CB -0.079 18.761 19.000 -0.266 0.000 1.008 55 A HN 0.359 nan 8.150 nan 0.000 0.497 56 P HA -0.035 nan 4.420 nan 0.000 0.220 56 P C 0.093 177.355 177.300 -0.063 0.000 1.148 56 P CA 1.386 64.398 63.100 -0.148 0.000 0.803 56 P CB 0.192 31.818 31.700 -0.122 0.000 0.782 57 K N -1.926 118.489 120.400 0.025 0.000 2.495 57 K HA 0.360 4.679 4.320 -0.001 0.000 0.268 57 K C -0.187 176.526 176.600 0.187 0.000 1.008 57 K CA -0.479 55.844 56.287 0.060 0.000 0.882 57 K CB 1.056 33.514 32.500 -0.069 0.000 1.443 57 K HN -0.114 nan 8.250 nan 0.000 0.447 58 T N -1.092 113.596 114.554 0.222 0.000 2.882 58 T HA 0.162 4.511 4.350 -0.001 0.000 0.287 58 T C 0.472 175.165 174.700 -0.013 0.000 1.014 58 T CA -0.542 61.640 62.100 0.137 0.000 1.049 58 T CB 0.501 69.407 68.868 0.064 0.000 1.001 58 T HN 0.348 nan 8.240 nan 0.000 0.525 59 N N 1.932 120.651 118.700 0.031 0.000 2.466 59 N HA 0.046 4.786 4.740 -0.001 0.000 0.263 59 N C 1.170 176.545 175.510 -0.225 0.000 1.178 59 N CA -0.708 52.319 53.050 -0.039 0.000 0.983 59 N CB -0.374 38.295 38.487 0.304 0.000 1.331 59 N HN 0.760 nan 8.380 nan 0.000 0.500 60 I N -0.764 119.386 120.570 -0.700 0.000 3.444 60 I HA 0.113 4.282 4.170 -0.001 0.000 0.287 60 I C 0.482 176.154 176.117 -0.742 0.000 1.302 60 I CA 0.118 60.946 61.300 -0.788 0.000 1.368 60 I CB -0.068 37.321 38.000 -1.019 0.000 1.048 60 I HN 0.284 nan 8.210 nan 0.000 0.487 61 W N 1.250 122.415 121.300 -0.225 0.000 3.127 61 W HA 0.296 4.956 4.660 -0.000 0.000 0.344 61 W C 1.127 177.587 176.519 -0.097 0.000 1.151 61 W CA -0.527 56.656 57.345 -0.270 0.000 1.765 61 W CB -0.378 28.717 29.460 -0.608 0.000 1.085 61 W HN -0.026 nan 8.180 nan 0.000 0.596 62 T N 2.253 116.897 114.554 0.151 0.000 2.900 62 T HA 0.119 4.469 4.350 -0.001 0.000 0.307 62 T C 0.982 175.769 174.700 0.145 0.000 1.065 62 T CA 0.252 62.458 62.100 0.178 0.000 1.105 62 T CB 0.887 69.862 68.868 0.179 0.000 0.979 62 T HN 0.069 nan 8.240 nan 0.000 0.544 63 S N 3.942 119.750 115.700 0.180 0.000 2.576 63 S HA 0.247 4.717 4.470 -0.001 0.000 0.272 63 S C 0.298 175.003 174.600 0.175 0.000 1.352 63 S CA -0.815 57.492 58.200 0.178 0.000 1.021 63 S CB -0.039 63.288 63.200 0.212 0.000 0.887 63 S HN 0.624 nan 8.310 nan 0.000 0.542 64 L N 2.011 123.343 121.223 0.181 0.000 2.453 64 L HA 0.339 4.679 4.340 -0.001 0.000 0.272 64 L C 1.106 178.122 176.870 0.243 0.000 1.182 64 L CA -0.415 54.530 54.840 0.174 0.000 0.858 64 L CB -0.012 42.142 42.059 0.157 0.000 1.120 64 L HN 0.961 nan 8.230 nan 0.000 0.474 65 A N 3.500 126.413 122.820 0.156 0.000 2.406 65 A HA 0.082 4.401 4.320 -0.001 0.000 0.243 65 A C 1.324 178.917 177.584 0.016 0.000 1.082 65 A CA -0.190 51.921 52.037 0.122 0.000 0.786 65 A CB 0.278 19.307 19.000 0.049 0.000 1.029 65 A HN 0.936 nan 8.150 nan 0.000 0.495 66 K N -0.041 120.193 120.400 -0.277 0.000 2.113 66 K HA -0.241 4.078 4.320 -0.001 0.000 0.208 66 K C 1.649 178.068 176.600 -0.302 0.000 1.047 66 K CA 2.262 58.107 56.287 -0.737 0.000 0.928 66 K CB -0.049 31.861 32.500 -0.983 0.000 0.716 66 K HN 0.803 nan 8.250 nan 0.000 0.446 67 E N 0.984 121.083 120.200 -0.168 0.000 2.150 67 E HA -0.159 4.191 4.350 -0.001 0.000 0.193 67 E C 1.439 178.004 176.600 -0.058 0.000 0.985 67 E CA 1.555 57.898 56.400 -0.095 0.000 0.814 67 E CB 0.081 29.744 29.700 -0.060 0.000 0.752 67 E HN 0.405 nan 8.360 nan 0.000 0.466 68 E N -0.419 119.760 120.200 -0.035 0.000 2.072 68 E HA -0.112 4.238 4.350 -0.001 0.000 0.190 68 E C 2.139 178.726 176.600 -0.021 0.000 0.982 68 E CA 1.260 57.654 56.400 -0.009 0.000 0.803 68 E CB 0.041 29.752 29.700 0.019 0.000 0.755 68 E HN 0.133 nan 8.360 nan 0.000 0.453 69 V N 1.307 121.205 119.914 -0.027 0.000 2.332 69 V HA -0.292 3.828 4.120 -0.001 0.000 0.248 69 V C 2.439 178.459 176.094 -0.123 0.000 1.055 69 V CA 1.996 64.241 62.300 -0.092 0.000 1.038 69 V CB -0.488 31.310 31.823 -0.043 0.000 0.651 69 V HN 0.203 nan 8.190 nan 0.000 0.450 70 Q N 0.511 120.261 119.800 -0.082 0.000 2.050 70 Q HA -0.227 4.113 4.340 -0.001 0.000 0.202 70 Q C 2.103 178.091 176.000 -0.020 0.000 0.980 70 Q CA 2.133 57.909 55.803 -0.046 0.000 0.840 70 Q CB -0.333 28.377 28.738 -0.047 0.000 0.898 70 Q HN 0.723 nan 8.270 nan 0.000 0.424 71 E N -1.092 119.096 120.200 -0.020 0.000 2.085 71 E HA -0.160 4.189 4.350 -0.001 0.000 0.194 71 E C 1.962 178.570 176.600 0.013 0.000 0.994 71 E CA 1.436 57.835 56.400 -0.001 0.000 0.801 71 E CB -0.024 29.674 29.700 -0.003 0.000 0.743 71 E HN 0.188 nan 8.360 nan 0.000 0.453 72 V N 1.136 121.050 119.914 0.000 0.000 2.307 72 V HA -0.221 3.899 4.120 -0.001 0.000 0.245 72 V C 2.240 178.359 176.094 0.041 0.000 1.045 72 V CA 1.309 63.619 62.300 0.017 0.000 1.024 72 V CB -0.358 31.464 31.823 -0.002 0.000 0.651 72 V HN 0.219 nan 8.190 nan 0.000 0.449 73 L N 0.495 121.727 121.223 0.015 0.000 2.046 73 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 73 L C 2.079 179.087 176.870 0.229 0.000 1.077 73 L CA 2.084 56.989 54.840 0.109 0.000 0.747 73 L CB -0.926 41.184 42.059 0.085 0.000 0.896 73 L HN 0.303 nan 8.230 nan 0.000 0.432 74 D N -0.640 119.843 120.400 0.138 0.000 2.104 74 D HA -0.212 4.428 4.640 -0.001 0.000 0.194 74 D C 2.154 178.537 176.300 0.138 0.000 0.994 74 D CA 1.493 55.569 54.000 0.126 0.000 0.830 74 D CB -0.313 40.518 40.800 0.052 0.000 0.959 74 D HN 0.296 nan 8.370 nan 0.000 0.452 75 L N 0.468 121.749 121.223 0.096 0.000 2.141 75 L HA -0.061 4.279 4.340 -0.001 0.000 0.209 75 L C 2.108 179.032 176.870 0.091 0.000 1.094 75 L CA 1.189 56.073 54.840 0.073 0.000 0.763 75 L CB -0.421 41.669 42.059 0.052 0.000 0.908 75 L HN 0.034 nan 8.230 nan 0.000 0.437 76 L N -1.572 119.736 121.223 0.140 0.000 2.056 76 L HA -0.226 4.114 4.340 -0.001 0.000 0.207 76 L C 2.586 179.550 176.870 0.157 0.000 1.078 76 L CA 1.071 56.027 54.840 0.193 0.000 0.749 76 L CB -0.834 41.324 42.059 0.166 0.000 0.901 76 L HN 0.385 nan 8.230 nan 0.000 0.433 77 H N -0.666 118.481 119.070 0.128 0.000 2.456 77 H HA -0.102 4.454 4.556 -0.001 0.000 0.296 77 H C 2.486 177.857 175.328 0.071 0.000 1.079 77 H CA 1.763 57.877 56.048 0.110 0.000 1.322 77 H CB 0.209 30.024 29.762 0.088 0.000 1.388 77 H HN 0.417 nan 8.280 nan 0.000 0.538 78 S N -0.794 114.994 115.700 0.148 0.000 2.486 78 S HA -0.020 4.449 4.470 -0.001 0.000 0.220 78 S C 1.940 176.529 174.600 -0.019 0.000 1.011 78 S CA 0.658 58.897 58.200 0.065 0.000 0.921 78 S CB 0.076 63.302 63.200 0.045 0.000 0.785 78 S HN 0.161 nan 8.310 nan 0.000 0.517 79 T N 0.590 115.084 114.554 -0.100 0.000 2.976 79 T HA 0.283 4.633 4.350 -0.001 0.000 0.257 79 T C -0.192 174.232 174.700 -0.460 0.000 1.051 79 T CA 0.664 62.554 62.100 -0.349 0.000 1.141 79 T CB -0.169 68.361 68.868 -0.564 0.000 0.881 79 T HN 0.512 nan 8.240 nan 0.000 0.461 80 Y N 0.496 120.850 120.300 0.090 0.000 2.630 80 Y HA 0.513 5.063 4.550 -0.001 0.000 0.337 80 Y C 0.170 176.114 175.900 0.073 0.000 1.051 80 Y CA -1.720 56.447 58.100 0.111 0.000 1.121 80 Y CB 0.747 39.324 38.460 0.195 0.000 1.299 80 Y HN -0.198 nan 8.280 nan 0.000 0.498 81 N N 2.068 120.928 118.700 0.265 0.000 2.482 81 N HA 0.150 4.890 4.740 -0.001 0.000 0.242 81 N C -1.527 174.052 175.510 0.115 0.000 1.100 81 N CA 0.070 53.218 53.050 0.163 0.000 0.946 81 N CB -0.173 38.399 38.487 0.141 0.000 1.227 81 N HN 0.440 nan 8.380 nan 0.000 0.508 82 I N 2.522 123.132 120.570 0.067 0.000 2.336 82 I HA 0.225 4.395 4.170 -0.001 0.000 0.292 82 I C 0.540 176.705 176.117 0.080 0.000 0.991 82 I CA -0.416 60.857 61.300 -0.044 0.000 1.227 82 I CB 0.997 38.745 38.000 -0.421 0.000 1.366 82 I HN 0.279 nan 8.210 nan 0.000 0.466 83 T N 5.696 120.318 114.554 0.114 0.000 2.875 83 T HA 0.235 4.584 4.350 -0.001 0.000 0.284 83 T C 0.255 175.060 174.700 0.176 0.000 0.995 83 T CA -0.637 61.555 62.100 0.153 0.000 1.060 83 T CB 1.082 70.037 68.868 0.144 0.000 0.967 83 T HN 0.321 nan 8.240 nan 0.000 0.476 84 E N 2.111 122.410 120.200 0.165 0.000 2.414 84 E HA 0.031 4.381 4.350 -0.001 0.000 0.263 84 E C 1.326 177.965 176.600 0.065 0.000 1.000 84 E CA -0.061 56.427 56.400 0.146 0.000 0.914 84 E CB 0.711 30.479 29.700 0.114 0.000 0.948 84 E HN 0.312 nan 8.360 nan 0.000 0.444 85 V N 2.898 122.842 119.914 0.051 0.000 2.380 85 V HA -0.306 3.814 4.120 -0.001 0.000 0.251 85 V C 2.352 178.355 176.094 -0.152 0.000 1.063 85 V CA 2.567 64.802 62.300 -0.109 0.000 1.055 85 V CB -1.053 30.758 31.823 -0.020 0.000 0.657 85 V HN 0.814 nan 8.190 nan 0.000 0.455 86 T N -2.164 112.348 114.554 -0.070 0.000 3.051 86 T HA -0.145 4.205 4.350 -0.001 0.000 0.269 86 T C 1.385 176.045 174.700 -0.067 0.000 1.127 86 T CA 1.144 63.200 62.100 -0.074 0.000 1.107 86 T CB -0.239 68.608 68.868 -0.034 0.000 0.898 86 T HN 0.539 nan 8.240 nan 0.000 0.517 87 K N 0.600 120.971 120.400 -0.048 0.000 2.374 87 K HA 0.555 4.874 4.320 -0.001 0.000 0.202 87 K C 0.639 177.216 176.600 -0.039 0.000 1.040 87 K CA -0.216 56.053 56.287 -0.030 0.000 1.085 87 K CB 0.825 33.330 32.500 0.009 0.000 0.873 87 K HN 0.395 nan 8.250 nan 0.000 0.539 88 A N 2.273 125.034 122.820 -0.098 0.000 2.286 88 A HA 0.358 4.678 4.320 -0.001 0.000 0.286 88 A C -0.346 177.162 177.584 -0.128 0.000 1.097 88 A CA -0.380 51.601 52.037 -0.094 0.000 0.821 88 A CB 0.466 19.323 19.000 -0.239 0.000 1.076 88 A HN 0.268 nan 8.150 nan 0.000 0.490 89 D N -1.344 119.043 120.400 -0.021 0.000 2.798 89 D HA 0.287 4.927 4.640 -0.001 0.000 0.308 89 D C 0.176 176.519 176.300 0.071 0.000 1.187 89 D CA -0.595 53.345 54.000 -0.099 0.000 1.033 89 D CB -0.233 40.518 40.800 -0.081 0.000 1.445 89 D HN 0.280 nan 8.370 nan 0.000 0.550 90 F N -1.229 118.674 119.950 -0.079 0.000 2.373 90 F HA 0.013 4.539 4.527 -0.001 0.000 0.300 90 F C 1.069 176.624 175.800 -0.407 0.000 1.080 90 F CA 0.455 58.271 58.000 -0.306 0.000 1.417 90 F CB -0.143 38.473 39.000 -0.641 0.000 1.070 90 F HN 0.085 nan 8.300 nan 0.000 0.546 91 F N -0.981 119.141 119.950 0.287 0.000 2.678 91 F HA 0.148 4.675 4.527 -0.000 0.000 0.305 91 F C 1.031 176.921 175.800 0.149 0.000 1.090 91 F CA -0.363 57.736 58.000 0.166 0.000 1.272 91 F CB -0.225 38.825 39.000 0.083 0.000 1.060 91 F HN -0.317 nan 8.300 nan 0.000 0.576 92 S N 0.124 116.023 115.700 0.332 0.000 2.681 92 S HA 0.322 4.792 4.470 -0.001 0.000 0.270 92 S C -0.129 174.589 174.600 0.196 0.000 1.209 92 S CA -0.791 57.569 58.200 0.266 0.000 0.988 92 S CB 0.652 64.028 63.200 0.294 0.000 1.006 92 S HN 0.067 nan 8.310 nan 0.000 0.558 93 N N 1.099 119.839 118.700 0.068 0.000 2.399 93 N HA 0.588 5.328 4.740 -0.001 0.000 0.295 93 N C -1.202 174.277 175.510 -0.052 0.000 1.048 93 N CA -0.411 52.510 53.050 -0.215 0.000 0.886 93 N CB 1.351 39.660 38.487 -0.297 0.000 1.185 93 N HN 0.747 nan 8.380 nan 0.000 0.487 94 Y N -2.586 117.606 120.300 -0.179 0.000 2.609 94 Y HA 0.596 5.146 4.550 -0.001 0.000 0.336 94 Y C -1.122 174.701 175.900 -0.128 0.000 1.129 94 Y CA -1.305 56.738 58.100 -0.095 0.000 1.040 94 Y CB 0.522 39.000 38.460 0.030 0.000 1.310 94 Y HN 0.085 nan 8.280 nan 0.000 0.460 95 V N 3.425 123.408 119.914 0.115 0.000 2.465 95 V HA 0.192 4.311 4.120 -0.001 0.000 0.279 95 V C 0.220 176.379 176.094 0.109 0.000 1.045 95 V CA -0.255 62.079 62.300 0.057 0.000 0.938 95 V CB 1.050 32.958 31.823 0.140 0.000 0.986 95 V HN 0.875 nan 8.190 nan 0.000 0.467 96 L N 3.817 124.973 121.223 -0.113 0.000 2.265 96 L HA 0.329 4.669 4.340 -0.001 0.000 0.195 96 L C 0.143 176.734 176.870 -0.464 0.000 1.083 96 L CA 1.247 55.734 54.840 -0.589 0.000 0.798 96 L CB 0.056 41.454 42.059 -1.102 0.000 0.989 96 L HN 0.491 nan 8.230 nan 0.000 0.472 97 W N -0.489 120.871 121.300 0.100 0.000 3.032 97 W HA 0.652 5.312 4.660 -0.000 0.000 0.335 97 W C -1.043 175.612 176.519 0.228 0.000 1.154 97 W CA -1.108 56.350 57.345 0.188 0.000 1.204 97 W CB 1.414 30.894 29.460 0.034 0.000 1.416 97 W HN -0.299 nan 8.180 nan 0.000 0.521 98 I N 2.238 123.110 120.570 0.504 0.000 2.534 98 I HA 0.207 4.377 4.170 -0.001 0.000 0.286 98 I C -0.420 175.816 176.117 0.199 0.000 1.094 98 I CA -0.548 60.876 61.300 0.206 0.000 1.055 98 I CB 2.164 40.099 38.000 -0.108 0.000 1.225 98 I HN 0.443 nan 8.210 nan 0.000 0.435 99 E N 3.073 123.363 120.200 0.151 0.000 2.449 99 E HA 0.476 4.826 4.350 -0.001 0.000 0.278 99 E C -1.233 175.423 176.600 0.093 0.000 0.992 99 E CA -0.922 55.550 56.400 0.119 0.000 0.807 99 E CB 1.504 31.247 29.700 0.072 0.000 1.350 99 E HN 0.225 nan 8.360 nan 0.000 0.462 100 T N 1.519 116.123 114.554 0.084 0.000 2.867 100 T HA 0.114 4.464 4.350 -0.001 0.000 0.297 100 T C -0.204 174.537 174.700 0.067 0.000 0.989 100 T CA -0.187 61.956 62.100 0.072 0.000 1.159 100 T CB 0.021 68.931 68.868 0.070 0.000 0.928 100 T HN 0.350 nan 8.240 nan 0.000 0.538 101 L N 5.600 126.874 121.223 0.085 0.000 2.295 101 L HA 0.304 4.643 4.340 -0.001 0.000 0.288 101 L C 0.363 177.301 176.870 0.114 0.000 1.079 101 L CA -0.069 54.842 54.840 0.119 0.000 0.830 101 L CB -0.143 42.025 42.059 0.180 0.000 1.200 101 L HN 0.461 nan 8.230 nan 0.000 0.438 102 K N 5.655 126.126 120.400 0.119 0.000 2.380 102 K HA 0.198 4.518 4.320 -0.001 0.000 0.267 102 K C -2.117 174.562 176.600 0.131 0.000 0.990 102 K CA -1.325 55.030 56.287 0.114 0.000 0.946 102 K CB -0.067 32.540 32.500 0.179 0.000 0.937 102 K HN 0.467 nan 8.250 nan 0.000 0.491 103 P HA 0.019 nan 4.420 nan 0.000 0.270 103 P C -0.677 176.718 177.300 0.157 0.000 1.223 103 P CA -0.246 62.874 63.100 0.034 0.000 0.785 103 P CB 0.470 32.102 31.700 -0.112 0.000 0.923 104 N N 0.916 119.682 118.700 0.110 0.000 2.424 104 N HA 0.039 4.779 4.740 -0.001 0.000 0.257 104 N C 1.112 176.705 175.510 0.138 0.000 1.250 104 N CA -0.216 52.915 53.050 0.135 0.000 0.946 104 N CB 0.372 38.880 38.487 0.035 0.000 1.175 104 N HN 0.404 nan 8.380 nan 0.000 0.477 105 K N 0.175 120.647 120.400 0.120 0.000 2.062 105 K HA -0.064 4.256 4.320 -0.001 0.000 0.205 105 K C 1.312 177.842 176.600 -0.117 0.000 1.051 105 K CA 1.260 57.489 56.287 -0.097 0.000 0.941 105 K CB -0.046 32.249 32.500 -0.342 0.000 0.719 105 K HN 0.447 nan 8.250 nan 0.000 0.440 106 T N 1.723 116.245 114.554 -0.053 0.000 2.746 106 T HA -0.174 4.176 4.350 -0.001 0.000 0.267 106 T C 1.556 176.255 174.700 -0.002 0.000 1.039 106 T CA 1.833 63.909 62.100 -0.039 0.000 1.142 106 T CB -0.226 68.631 68.868 -0.019 0.000 0.866 106 T HN 0.570 nan 8.240 nan 0.000 0.444 107 E N 1.591 121.797 120.200 0.010 0.000 2.150 107 E HA -0.030 4.319 4.350 -0.001 0.000 0.193 107 E C 2.399 179.031 176.600 0.053 0.000 0.985 107 E CA 1.020 57.431 56.400 0.018 0.000 0.814 107 E CB -0.358 29.336 29.700 -0.010 0.000 0.752 107 E HN 0.467 nan 8.360 nan 0.000 0.466 108 A N 1.928 124.795 122.820 0.079 0.000 1.902 108 A HA -0.093 4.227 4.320 -0.001 0.000 0.217 108 A C 2.317 180.040 177.584 0.231 0.000 1.181 108 A CA 1.224 53.362 52.037 0.167 0.000 0.623 108 A CB -0.662 18.555 19.000 0.362 0.000 0.818 108 A HN 0.270 nan 8.150 nan 0.000 0.443 109 L N -0.928 120.383 121.223 0.147 0.000 2.109 109 L HA -0.126 4.213 4.340 -0.001 0.000 0.207 109 L C 2.773 179.703 176.870 0.099 0.000 1.086 109 L CA 1.613 56.531 54.840 0.130 0.000 0.760 109 L CB -0.911 41.169 42.059 0.036 0.000 0.910 109 L HN 0.342 nan 8.230 nan 0.000 0.437 110 T N -0.944 113.658 114.554 0.081 0.000 2.684 110 T HA -0.279 4.071 4.350 -0.001 0.000 0.267 110 T C 1.698 176.454 174.700 0.093 0.000 1.036 110 T CA 1.748 63.889 62.100 0.068 0.000 1.148 110 T CB -0.404 68.498 68.868 0.056 0.000 0.863 110 T HN 0.318 nan 8.240 nan 0.000 0.436 111 Y N 1.712 122.010 120.300 -0.003 0.000 2.145 111 Y HA -0.042 4.507 4.550 -0.001 0.000 0.286 111 Y C 1.978 177.882 175.900 0.008 0.000 1.145 111 Y CA 1.079 59.167 58.100 -0.020 0.000 1.148 111 Y CB -0.578 37.840 38.460 -0.071 0.000 0.981 111 Y HN 0.138 nan 8.280 nan 0.000 0.507 112 L N -0.403 120.760 121.223 -0.099 0.000 2.109 112 L HA -0.140 4.200 4.340 -0.001 0.000 0.207 112 L C 1.402 178.229 176.870 -0.071 0.000 1.086 112 L CA 1.542 56.303 54.840 -0.133 0.000 0.760 112 L CB -0.314 41.839 42.059 0.156 0.000 0.910 112 L HN 0.171 nan 8.230 nan 0.000 0.437 113 D N -1.235 119.161 120.400 -0.006 0.000 2.454 113 D HA 0.017 4.657 4.640 -0.001 0.000 0.214 113 D C 0.842 177.140 176.300 -0.004 0.000 1.088 113 D CA 0.441 54.449 54.000 0.014 0.000 0.855 113 D CB 0.556 41.387 40.800 0.051 0.000 1.025 113 D HN 0.297 nan 8.370 nan 0.000 0.502 114 E N 0.849 121.042 120.200 -0.012 0.000 2.887 114 E HA 0.077 4.426 4.350 -0.001 0.000 0.206 114 E C -0.716 175.877 176.600 -0.012 0.000 0.983 114 E CA -0.154 56.243 56.400 -0.005 0.000 1.141 114 E CB 0.862 30.569 29.700 0.011 0.000 1.061 114 E HN -0.026 nan 8.360 nan 0.000 0.468 115 D N 1.087 121.459 120.400 -0.047 0.000 2.737 115 D HA -0.155 4.484 4.640 -0.001 0.000 0.233 115 D C 0.538 176.846 176.300 0.015 0.000 1.155 115 D CA 1.155 55.127 54.000 -0.047 0.000 0.667 115 D CB -0.958 39.824 40.800 -0.030 0.000 1.060 115 D HN 0.448 nan 8.370 nan 0.000 0.427 116 G N -0.082 108.748 108.800 0.050 0.000 2.611 116 G HA2 0.240 4.200 3.960 -0.001 0.000 0.273 116 G HA3 0.240 4.200 3.960 -0.001 0.000 0.273 116 G C 0.246 175.253 174.900 0.178 0.000 1.305 116 G CA -0.379 44.779 45.100 0.096 0.000 1.010 116 G HN -0.013 nan 8.290 nan 0.000 0.509 117 D N -0.585 119.882 120.400 0.111 0.000 2.339 117 D HA 0.130 4.770 4.640 -0.001 0.000 0.245 117 D C 0.730 177.033 176.300 0.006 0.000 1.115 117 D CA -0.047 53.995 54.000 0.070 0.000 0.917 117 D CB 1.224 42.027 40.800 0.005 0.000 1.192 117 D HN 0.057 nan 8.370 nan 0.000 0.428 118 L N 2.668 123.797 121.223 -0.157 0.000 2.540 118 L HA 0.050 4.389 4.340 -0.001 0.000 0.276 118 L C -1.783 174.892 176.870 -0.325 0.000 1.212 118 L CA -1.169 53.366 54.840 -0.509 0.000 0.893 118 L CB 0.003 41.823 42.059 -0.399 0.000 1.138 118 L HN 0.128 nan 8.230 nan 0.000 0.491 119 P HA 0.139 nan 4.420 nan 0.000 0.270 119 P C -2.418 174.772 177.300 -0.183 0.000 1.223 119 P CA -0.995 61.973 63.100 -0.219 0.000 0.785 119 P CB -0.185 31.378 31.700 -0.228 0.000 0.923 120 P HA 0.110 nan 4.420 nan 0.000 0.266 120 P C -0.368 176.883 177.300 -0.082 0.000 1.195 120 P CA 0.139 63.191 63.100 -0.081 0.000 0.768 120 P CB 0.312 31.984 31.700 -0.046 0.000 0.838 121 R N 3.470 123.929 120.500 -0.068 0.000 2.198 121 R HA 0.334 4.674 4.340 -0.001 0.000 0.339 121 R C -0.611 175.682 176.300 -0.012 0.000 1.020 121 R CA -0.023 56.044 56.100 -0.055 0.000 0.864 121 R CB -0.442 29.823 30.300 -0.059 0.000 1.105 121 R HN 0.391 nan 8.270 nan 0.000 0.463 122 N N 1.828 120.535 118.700 0.012 0.000 2.312 122 N HA 0.591 5.330 4.740 -0.001 0.000 0.296 122 N C -1.420 174.130 175.510 0.066 0.000 1.193 122 N CA -0.666 52.413 53.050 0.048 0.000 0.773 122 N CB 2.221 40.753 38.487 0.076 0.000 1.435 122 N HN 0.590 nan 8.380 nan 0.000 0.484 123 A N 0.690 123.559 122.820 0.081 0.000 2.337 123 A HA 0.557 4.876 4.320 -0.001 0.000 0.329 123 A C -0.091 177.567 177.584 0.124 0.000 1.146 123 A CA -0.688 51.405 52.037 0.092 0.000 0.800 123 A CB 1.019 20.065 19.000 0.076 0.000 1.220 123 A HN 0.653 nan 8.150 nan 0.000 0.472 124 R N 1.314 121.894 120.500 0.132 0.000 2.265 124 R HA 0.545 4.885 4.340 -0.001 0.000 0.319 124 R C -0.647 175.755 176.300 0.170 0.000 1.006 124 R CA 0.110 56.307 56.100 0.162 0.000 0.880 124 R CB 1.025 31.412 30.300 0.144 0.000 1.077 124 R HN 0.722 nan 8.270 nan 0.000 0.454 125 T N 2.388 117.054 114.554 0.186 0.000 2.916 125 T HA 0.533 4.883 4.350 -0.001 0.000 0.292 125 T C -1.366 173.464 174.700 0.218 0.000 1.055 125 T CA -0.578 61.642 62.100 0.200 0.000 1.009 125 T CB 1.483 70.445 68.868 0.157 0.000 1.118 125 T HN 0.296 nan 8.240 nan 0.000 0.497 126 V N 3.907 123.956 119.914 0.224 0.000 2.483 126 V HA 0.643 4.762 4.120 -0.001 0.000 0.297 126 V C -0.603 175.510 176.094 0.031 0.000 1.027 126 V CA -0.703 61.705 62.300 0.179 0.000 0.855 126 V CB 1.605 33.588 31.823 0.266 0.000 0.995 126 V HN 0.790 nan 8.190 nan 0.000 0.424 127 V N 4.479 124.378 119.914 -0.025 0.000 2.604 127 V HA 0.421 4.541 4.120 -0.001 0.000 0.305 127 V C -0.976 174.835 176.094 -0.470 0.000 1.043 127 V CA -0.928 61.180 62.300 -0.320 0.000 0.888 127 V CB 2.070 33.564 31.823 -0.549 0.000 0.995 127 V HN 0.781 nan 8.190 nan 0.000 0.429 128 Y N 4.490 124.254 120.300 -0.892 0.000 2.316 128 Y HA 0.602 5.152 4.550 -0.001 0.000 0.331 128 Y C -0.934 174.251 175.900 -1.192 0.000 1.083 128 Y CA -0.959 56.435 58.100 -1.177 0.000 1.206 128 Y CB 0.867 38.318 38.460 -1.681 0.000 1.195 128 Y HN 0.511 nan 8.280 nan 0.000 0.497 129 F N 4.804 123.776 119.950 -1.631 0.000 2.382 129 F HA 0.403 4.930 4.527 -0.001 0.000 0.361 129 F C 0.864 175.730 175.800 -1.556 0.000 1.109 129 F CA -0.379 56.813 58.000 -1.347 0.000 1.031 129 F CB 1.896 40.184 39.000 -1.187 0.000 1.234 129 F HN 0.774 nan 8.300 nan 0.000 0.445 130 G N 1.511 109.805 108.800 -0.844 0.000 3.192 130 G HA2 -0.018 3.942 3.960 -0.001 0.000 0.239 130 G HA3 -0.018 3.942 3.960 -0.001 0.000 0.239 130 G C 1.158 176.014 174.900 -0.073 0.000 1.084 130 G CA -0.027 44.836 45.100 -0.394 0.000 0.784 130 G HN 0.695 nan 8.290 nan 0.000 0.540 131 E N 0.500 120.668 120.200 -0.053 0.000 2.268 131 E HA 0.083 4.433 4.350 -0.001 0.000 0.195 131 E C 1.483 178.111 176.600 0.047 0.000 0.995 131 E CA 0.538 56.966 56.400 0.048 0.000 0.836 131 E CB -0.084 29.654 29.700 0.064 0.000 0.763 131 E HN 0.216 nan 8.360 nan 0.000 0.491 132 G N 0.798 109.600 108.800 0.004 0.000 2.535 132 G HA2 0.026 3.985 3.960 -0.001 0.000 0.282 132 G HA3 0.026 3.985 3.960 -0.001 0.000 0.282 132 G C 0.314 175.249 174.900 0.059 0.000 1.350 132 G CA -0.170 44.951 45.100 0.034 0.000 1.039 132 G HN 0.094 nan 8.290 nan 0.000 0.509 133 E N -1.048 119.190 120.200 0.063 0.000 2.204 133 E HA 0.022 4.372 4.350 -0.001 0.000 0.194 133 E C 0.291 176.933 176.600 0.070 0.000 0.989 133 E CA 0.878 57.318 56.400 0.067 0.000 0.824 133 E CB 0.189 29.920 29.700 0.052 0.000 0.756 133 E HN 0.271 nan 8.360 nan 0.000 0.477 134 E N -1.273 118.971 120.200 0.073 0.000 2.317 134 E HA 0.517 4.866 4.350 -0.001 0.000 0.270 134 E C -0.606 176.023 176.600 0.048 0.000 0.885 134 E CA -0.606 55.836 56.400 0.070 0.000 0.760 134 E CB 1.717 31.486 29.700 0.115 0.000 1.227 134 E HN 0.107 nan 8.360 nan 0.000 0.434 135 G N 1.337 110.121 108.800 -0.028 0.000 2.400 135 G HA2 0.581 4.540 3.960 -0.001 0.000 0.301 135 G HA3 0.581 4.540 3.960 -0.001 0.000 0.301 135 G C -1.155 173.781 174.900 0.061 0.000 1.154 135 G CA -0.280 44.723 45.100 -0.160 0.000 0.852 135 G HN 0.436 nan 8.290 nan 0.000 0.511 136 Y N -1.156 119.015 120.300 -0.215 0.000 2.641 136 Y HA 0.665 5.214 4.550 -0.001 0.000 0.333 136 Y C -1.554 174.237 175.900 -0.182 0.000 1.174 136 Y CA -2.334 55.757 58.100 -0.014 0.000 1.057 136 Y CB 0.818 39.293 38.460 0.025 0.000 1.322 136 Y HN 0.396 nan 8.280 nan 0.000 0.457 137 F N 1.485 121.621 119.950 0.309 0.000 2.385 137 F HA 0.536 5.062 4.527 -0.000 0.000 0.336 137 F C 0.271 176.258 175.800 0.311 0.000 1.100 137 F CA -0.375 57.755 58.000 0.217 0.000 1.116 137 F CB 1.627 40.725 39.000 0.163 0.000 1.166 137 F HN 0.626 nan 8.300 nan 0.000 0.511 138 E N 1.954 122.412 120.200 0.430 0.000 2.248 138 E HA 0.284 4.633 4.350 -0.001 0.000 0.267 138 E C -1.311 175.449 176.600 0.267 0.000 0.877 138 E CA -0.711 55.909 56.400 0.366 0.000 0.759 138 E CB 1.254 31.201 29.700 0.412 0.000 1.182 138 E HN 0.612 nan 8.360 nan 0.000 0.418 139 E N 3.717 124.043 120.200 0.210 0.000 2.259 139 E HA 0.356 4.706 4.350 -0.001 0.000 0.281 139 E C -0.664 176.033 176.600 0.161 0.000 1.027 139 E CA -0.291 56.225 56.400 0.193 0.000 0.838 139 E CB 1.260 31.073 29.700 0.188 0.000 1.066 139 E HN 0.346 nan 8.360 nan 0.000 0.401 140 L N 2.734 124.063 121.223 0.176 0.000 2.408 140 L HA 0.408 4.747 4.340 -0.001 0.000 0.268 140 L C -0.300 176.669 176.870 0.166 0.000 0.986 140 L CA -0.885 54.055 54.840 0.167 0.000 0.820 140 L CB 2.041 44.219 42.059 0.198 0.000 1.303 140 L HN 0.354 nan 8.230 nan 0.000 0.411 141 K N 2.409 122.900 120.400 0.153 0.000 2.258 141 K HA 0.588 4.908 4.320 -0.001 0.000 0.284 141 K C -1.346 175.333 176.600 0.132 0.000 1.051 141 K CA -0.432 55.946 56.287 0.153 0.000 0.923 141 K CB 1.362 33.959 32.500 0.161 0.000 1.046 141 K HN 0.396 nan 8.250 nan 0.000 0.474 142 V N 3.476 123.462 119.914 0.119 0.000 2.407 142 V HA 0.732 4.852 4.120 -0.001 0.000 0.291 142 V C 0.166 176.305 176.094 0.075 0.000 1.018 142 V CA -0.355 62.003 62.300 0.097 0.000 0.842 142 V CB 1.056 32.938 31.823 0.098 0.000 0.996 142 V HN 1.042 nan 8.190 nan 0.000 0.426 143 G N 5.869 114.705 108.800 0.059 0.000 2.338 143 G HA2 0.526 4.486 3.960 -0.001 0.000 0.295 143 G HA3 0.526 4.486 3.960 -0.001 0.000 0.295 143 G C -3.538 171.379 174.900 0.030 0.000 1.461 143 G CA -0.696 44.429 45.100 0.042 0.000 0.817 143 G HN 0.458 nan 8.290 nan 0.000 0.556 144 P HA 0.560 nan 4.420 nan 0.000 0.276 144 P C -0.460 176.843 177.300 0.006 0.000 1.261 144 P CA -0.409 62.696 63.100 0.007 0.000 0.800 144 P CB 1.252 32.948 31.700 -0.007 0.000 1.066 145 L N 0.911 122.134 121.223 -0.000 0.000 2.334 145 L HA 0.509 4.849 4.340 -0.001 0.000 0.273 145 L C -2.080 174.782 176.870 -0.012 0.000 1.013 145 L CA -2.397 52.443 54.840 -0.001 0.000 0.816 145 L CB 1.133 43.194 42.059 0.004 0.000 1.278 145 L HN 0.221 nan 8.230 nan 0.000 0.431 146 P HA 0.070 nan 4.420 nan 0.000 0.269 146 P C -0.597 176.703 177.300 -0.001 0.000 1.215 146 P CA -0.472 62.625 63.100 -0.005 0.000 0.780 146 P CB 0.473 32.168 31.700 -0.007 0.000 0.898 147 V N 2.011 121.927 119.914 0.003 0.000 2.557 147 V HA 0.193 4.313 4.120 -0.001 0.000 0.301 147 V C 0.961 177.057 176.094 0.003 0.000 1.026 147 V CA 1.183 63.486 62.300 0.006 0.000 1.137 147 V CB -0.457 31.372 31.823 0.010 0.000 0.917 147 V HN 0.906 nan 8.190 nan 0.000 0.484 148 S N 2.848 118.550 115.700 0.003 0.000 2.880 148 S HA 0.394 4.863 4.470 -0.001 0.000 0.308 148 S C 0.255 174.856 174.600 0.002 0.000 1.195 148 S CA -0.615 57.586 58.200 0.001 0.000 0.866 148 S CB 1.693 64.892 63.200 -0.002 0.000 1.254 148 S HN 0.515 nan 8.310 nan 0.000 0.571 149 D N 0.513 120.913 120.400 -0.000 0.000 2.355 149 D HA 0.125 4.765 4.640 -0.001 0.000 0.218 149 D C 0.820 177.120 176.300 0.000 0.000 1.004 149 D CA 0.470 54.469 54.000 -0.000 0.000 0.880 149 D CB 0.104 40.903 40.800 -0.002 0.000 0.911 149 D HN 0.433 nan 8.370 nan 0.000 0.528 150 E N 0.203 120.404 120.200 0.001 0.000 2.385 150 E HA 0.021 4.371 4.350 -0.001 0.000 0.194 150 E C 0.376 176.979 176.600 0.005 0.000 1.013 150 E CA 0.249 56.649 56.400 0.001 0.000 0.866 150 E CB 0.051 29.750 29.700 -0.002 0.000 0.832 150 E HN 0.090 nan 8.360 nan 0.000 0.500 151 T N 2.182 116.741 114.554 0.008 0.000 2.888 151 T HA 0.217 4.567 4.350 -0.001 0.000 0.301 151 T C 0.492 175.203 174.700 0.018 0.000 1.001 151 T CA 0.164 62.273 62.100 0.015 0.000 1.147 151 T CB 0.784 69.662 68.868 0.016 0.000 0.931 151 T HN 0.150 nan 8.240 nan 0.000 0.541 152 T N 0.348 114.919 114.554 0.028 0.000 2.907 152 T HA 0.773 5.122 4.350 -0.001 0.000 0.290 152 T C -0.535 174.198 174.700 0.055 0.000 1.066 152 T CA -1.009 61.111 62.100 0.033 0.000 1.012 152 T CB 1.130 70.016 68.868 0.030 0.000 1.184 152 T HN 0.446 nan 8.240 nan 0.000 0.522 153 I N 1.284 121.893 120.570 0.065 0.000 2.418 153 I HA 0.507 4.677 4.170 -0.001 0.000 0.287 153 I C -0.437 175.745 176.117 0.108 0.000 1.008 153 I CA -0.692 60.674 61.300 0.109 0.000 1.104 153 I CB 1.778 39.864 38.000 0.144 0.000 1.264 153 I HN 0.737 nan 8.210 nan 0.000 0.438 154 E N 6.535 126.803 120.200 0.112 0.000 2.383 154 E HA 0.429 4.778 4.350 -0.001 0.000 0.275 154 E C -2.698 173.959 176.600 0.095 0.000 0.918 154 E CA -2.178 54.277 56.400 0.091 0.000 0.764 154 E CB 2.163 31.906 29.700 0.072 0.000 1.252 154 E HN 0.232 nan 8.360 nan 0.000 0.449 155 P HA -0.027 nan 4.420 nan 0.000 0.264 155 P C -1.146 176.182 177.300 0.046 0.000 1.183 155 P CA -0.099 63.031 63.100 0.050 0.000 0.763 155 P CB 0.336 32.043 31.700 0.012 0.000 0.807 156 L N 3.314 124.555 121.223 0.030 0.000 2.349 156 L HA 0.519 4.859 4.340 -0.001 0.000 0.278 156 L C 0.288 177.037 176.870 -0.202 0.000 0.996 156 L CA 0.454 55.281 54.840 -0.022 0.000 0.825 156 L CB 1.200 43.290 42.059 0.051 0.000 1.243 156 L HN 0.454 nan 8.230 nan 0.000 0.412 157 S N 2.177 117.689 115.700 -0.314 0.000 2.822 157 S HA 0.014 4.484 4.470 -0.001 0.000 0.251 157 S C 1.014 175.333 174.600 -0.469 0.000 0.946 157 S CA 0.142 58.090 58.200 -0.420 0.000 1.377 157 S CB -0.997 62.105 63.200 -0.164 0.000 1.230 157 S HN 0.559 nan 8.310 nan 0.000 0.671 158 F N 2.999 122.707 119.950 -0.403 0.000 2.216 158 F HA 0.045 4.572 4.527 -0.001 0.000 0.300 158 F C 1.806 177.518 175.800 -0.146 0.000 1.085 158 F CA 0.721 58.597 58.000 -0.206 0.000 1.326 158 F CB -1.161 37.788 39.000 -0.086 0.000 1.027 158 F HN 0.366 nan 8.300 nan 0.000 0.497 159 Y N -0.473 119.530 120.300 -0.495 0.000 2.490 159 Y HA 0.359 4.909 4.550 -0.000 0.000 0.281 159 Y C -0.194 175.666 175.900 -0.066 0.000 1.174 159 Y CA -1.405 56.551 58.100 -0.239 0.000 1.295 159 Y CB -1.583 36.644 38.460 -0.388 0.000 1.062 159 Y HN -0.058 nan 8.280 nan 0.000 0.522 160 N N 1.554 120.184 118.700 -0.116 0.000 2.414 160 N HA 0.049 4.789 4.740 -0.001 0.000 0.256 160 N C 1.106 176.641 175.510 0.041 0.000 1.029 160 N CA 0.636 53.698 53.050 0.021 0.000 0.948 160 N CB 1.601 40.060 38.487 -0.046 0.000 1.102 160 N HN 0.423 nan 8.380 nan 0.000 0.496 161 T N -1.253 113.356 114.554 0.092 0.000 2.929 161 T HA -0.183 4.167 4.350 -0.001 0.000 0.271 161 T C 1.180 175.903 174.700 0.040 0.000 1.085 161 T CA 0.885 63.036 62.100 0.084 0.000 1.125 161 T CB -0.134 68.789 68.868 0.091 0.000 0.874 161 T HN 0.484 nan 8.240 nan 0.000 0.494 162 N N 1.727 120.443 118.700 0.026 0.000 2.461 162 N HA 0.151 4.891 4.740 -0.001 0.000 0.188 162 N C 1.555 177.067 175.510 0.004 0.000 1.134 162 N CA 0.705 53.764 53.050 0.015 0.000 0.878 162 N CB -0.791 37.706 38.487 0.016 0.000 0.972 162 N HN 0.643 nan 8.380 nan 0.000 0.456 163 G N -0.213 108.584 108.800 -0.004 0.000 2.153 163 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.252 163 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.252 163 G C -0.420 174.462 174.900 -0.030 0.000 0.994 163 G CA 0.544 45.634 45.100 -0.016 0.000 0.698 163 G HN 0.540 nan 8.290 nan 0.000 0.521 164 K N -0.020 120.360 120.400 -0.033 0.000 2.270 164 K HA 0.556 4.875 4.320 -0.001 0.000 0.255 164 K C 1.300 177.875 176.600 -0.041 0.000 0.936 164 K CA -0.076 56.190 56.287 -0.035 0.000 0.809 164 K CB 1.652 34.140 32.500 -0.019 0.000 1.131 164 K HN 0.226 nan 8.250 nan 0.000 0.427 165 S N 1.598 117.273 115.700 -0.042 0.000 2.501 165 S HA 0.034 4.504 4.470 -0.001 0.000 0.220 165 S C 0.293 174.917 174.600 0.041 0.000 0.997 165 S CA 0.163 58.355 58.200 -0.014 0.000 0.919 165 S CB 0.002 63.195 63.200 -0.012 0.000 0.778 165 S HN 0.424 nan 8.310 nan 0.000 0.523 166 K N 1.203 121.604 120.400 0.001 0.000 2.213 166 K HA 0.495 4.815 4.320 -0.001 0.000 0.270 166 K C -1.515 175.142 176.600 0.095 0.000 1.002 166 K CA -0.659 55.645 56.287 0.028 0.000 0.868 166 K CB 1.709 34.065 32.500 -0.239 0.000 1.093 166 K HN 0.155 nan 8.250 nan 0.000 0.454 167 L N 5.678 127.037 121.223 0.227 0.000 2.276 167 L HA 0.383 4.722 4.340 -0.001 0.000 0.286 167 L C -2.644 174.414 176.870 0.314 0.000 1.024 167 L CA -2.030 52.945 54.840 0.224 0.000 0.826 167 L CB 0.929 43.121 42.059 0.222 0.000 1.211 167 L HN 0.380 nan 8.230 nan 0.000 0.422 168 P HA 0.016 nan 4.420 nan 0.000 0.269 168 P C 0.468 177.929 177.300 0.268 0.000 1.209 168 P CA 0.013 63.249 63.100 0.227 0.000 0.776 168 P CB 0.356 32.118 31.700 0.104 0.000 0.876 169 F N 3.152 123.205 119.950 0.171 0.000 2.085 169 F HA -0.310 4.217 4.527 -0.000 0.000 0.299 169 F C 1.897 177.703 175.800 0.010 0.000 1.096 169 F CA 1.915 59.994 58.000 0.133 0.000 1.227 169 F CB -0.243 38.774 39.000 0.029 0.000 0.983 169 F HN 0.317 nan 8.300 nan 0.000 0.482 170 E N 0.010 120.207 120.200 -0.005 0.000 2.160 170 E HA -0.143 4.206 4.350 -0.001 0.000 0.195 170 E C 1.898 178.266 176.600 -0.386 0.000 0.991 170 E CA 1.633 57.869 56.400 -0.273 0.000 0.810 170 E CB -0.654 28.750 29.700 -0.494 0.000 0.742 170 E HN 0.499 nan 8.360 nan 0.000 0.466 171 V N -2.448 117.300 119.914 -0.276 0.000 3.121 171 V HA 0.473 4.593 4.120 -0.001 0.000 0.344 171 V C 0.841 176.860 176.094 -0.124 0.000 1.390 171 V CA -0.041 62.151 62.300 -0.180 0.000 1.177 171 V CB 0.157 31.916 31.823 -0.106 0.000 1.163 171 V HN -0.033 nan 8.190 nan 0.000 0.484 172 G N 0.120 108.830 108.800 -0.150 0.000 2.683 172 G HA2 0.238 4.198 3.960 -0.001 0.000 0.260 172 G HA3 0.238 4.198 3.960 -0.001 0.000 0.260 172 G C -0.340 174.407 174.900 -0.255 0.000 1.238 172 G CA -0.250 44.799 45.100 -0.085 0.000 0.934 172 G HN 0.718 nan 8.290 nan 0.000 0.534 173 H N -0.848 117.795 119.070 -0.711 0.000 2.848 173 H HA 0.182 4.738 4.556 -0.001 0.000 0.341 173 H C 0.367 175.560 175.328 -0.226 0.000 1.060 173 H CA -0.670 55.081 56.048 -0.494 0.000 1.444 173 H CB 1.041 30.393 29.762 -0.683 0.000 1.446 173 H HN 0.255 nan 8.280 nan 0.000 0.583 174 L N 6.086 126.893 121.223 -0.694 0.000 2.382 174 L HA 0.148 4.488 4.340 -0.001 0.000 0.259 174 L C -0.538 176.057 176.870 -0.459 0.000 1.291 174 L CA -0.105 54.482 54.840 -0.422 0.000 1.176 174 L CB -1.450 40.432 42.059 -0.294 0.000 1.373 174 L HN 0.774 nan 8.230 nan 0.000 0.426 175 D N 1.323 121.648 120.400 -0.125 0.000 2.511 175 D HA 0.168 4.808 4.640 -0.001 0.000 0.276 175 D C 0.968 177.327 176.300 0.098 0.000 1.220 175 D CA -0.438 53.668 54.000 0.177 0.000 1.077 175 D CB 0.501 41.614 40.800 0.522 0.000 1.126 175 D HN 0.256 nan 8.370 nan 0.000 0.583 176 R N -0.886 119.596 120.500 -0.031 0.000 2.105 176 R HA -0.062 4.277 4.340 -0.001 0.000 0.239 176 R C 1.909 178.142 176.300 -0.112 0.000 1.135 176 R CA 0.835 56.814 56.100 -0.202 0.000 0.967 176 R CB -0.361 29.591 30.300 -0.580 0.000 0.861 176 R HN 0.440 nan 8.270 nan 0.000 0.442 177 I N 1.091 121.614 120.570 -0.078 0.000 2.233 177 I HA -0.207 3.963 4.170 -0.001 0.000 0.243 177 I C 2.337 178.495 176.117 0.068 0.000 1.093 177 I CA 1.394 62.640 61.300 -0.089 0.000 1.380 177 I CB -0.948 36.984 38.000 -0.113 0.000 1.067 177 I HN 0.103 nan 8.210 nan 0.000 0.413 178 K N 0.744 121.319 120.400 0.292 0.000 2.097 178 K HA -0.095 4.225 4.320 -0.001 0.000 0.205 178 K C 2.281 179.067 176.600 0.310 0.000 1.050 178 K CA 1.400 57.972 56.287 0.475 0.000 0.938 178 K CB 0.111 32.813 32.500 0.337 0.000 0.718 178 K HN 0.083 nan 8.250 nan 0.000 0.442 179 S N 0.569 116.377 115.700 0.180 0.000 2.368 179 S HA -0.156 4.313 4.470 -0.001 0.000 0.225 179 S C 2.006 176.701 174.600 0.159 0.000 1.030 179 S CA 1.222 59.523 58.200 0.169 0.000 0.999 179 S CB -0.325 62.946 63.200 0.119 0.000 0.844 179 S HN 0.537 nan 8.310 nan 0.000 0.459 180 A N 1.541 124.411 122.820 0.083 0.000 1.902 180 A HA 0.061 4.381 4.320 -0.001 0.000 0.217 180 A C 2.356 179.987 177.584 0.078 0.000 1.181 180 A CA 1.788 53.852 52.037 0.045 0.000 0.623 180 A CB -1.101 17.874 19.000 -0.041 0.000 0.818 180 A HN 0.523 nan 8.150 nan 0.000 0.443 181 A N -0.194 122.679 122.820 0.089 0.000 1.902 181 A HA -0.166 4.154 4.320 -0.001 0.000 0.217 181 A C 2.111 179.923 177.584 0.379 0.000 1.181 181 A CA 1.855 53.970 52.037 0.129 0.000 0.623 181 A CB -0.418 18.641 19.000 0.098 0.000 0.818 181 A HN 0.562 nan 8.150 nan 0.000 0.443 182 K N -0.479 120.213 120.400 0.485 0.000 2.057 182 K HA -0.098 4.222 4.320 -0.001 0.000 0.206 182 K C 2.456 179.269 176.600 0.356 0.000 1.050 182 K CA 1.333 57.922 56.287 0.504 0.000 0.935 182 K CB -0.258 32.501 32.500 0.431 0.000 0.715 182 K HN 0.436 nan 8.250 nan 0.000 0.439 183 S N 0.581 116.439 115.700 0.263 0.000 2.359 183 S HA -0.196 4.274 4.470 -0.001 0.000 0.224 183 S C 2.185 176.877 174.600 0.153 0.000 1.035 183 S CA 1.921 60.237 58.200 0.194 0.000 1.018 183 S CB -0.329 62.959 63.200 0.148 0.000 0.876 183 S HN 0.300 nan 8.310 nan 0.000 0.448 184 S N -0.236 115.550 115.700 0.143 0.000 2.368 184 S HA -0.101 4.369 4.470 -0.001 0.000 0.225 184 S C 1.597 176.264 174.600 0.111 0.000 1.030 184 S CA 1.448 59.705 58.200 0.095 0.000 0.999 184 S CB -0.765 62.468 63.200 0.055 0.000 0.844 184 S HN 0.669 nan 8.310 nan 0.000 0.459 185 F N 2.154 122.139 119.950 0.058 0.000 2.102 185 F HA -0.037 4.489 4.527 -0.001 0.000 0.298 185 F C 1.816 177.594 175.800 -0.035 0.000 1.105 185 F CA 1.562 59.595 58.000 0.056 0.000 1.239 185 F CB -0.436 38.706 39.000 0.236 0.000 0.991 185 F HN 0.187 nan 8.300 nan 0.000 0.474 186 L N 0.446 121.597 121.223 -0.121 0.000 2.012 186 L HA -0.291 4.049 4.340 -0.001 0.000 0.210 186 L C 2.557 179.295 176.870 -0.220 0.000 1.073 186 L CA 1.899 56.571 54.840 -0.280 0.000 0.748 186 L CB -1.083 40.945 42.059 -0.051 0.000 0.891 186 L HN 0.383 nan 8.230 nan 0.000 0.431 187 N N 0.833 119.495 118.700 -0.063 0.000 2.120 187 N HA -0.269 4.471 4.740 -0.001 0.000 0.188 187 N C 1.951 177.363 175.510 -0.164 0.000 1.024 187 N CA 1.531 54.570 53.050 -0.019 0.000 0.852 187 N CB 0.054 38.578 38.487 0.062 0.000 1.003 187 N HN 0.295 nan 8.380 nan 0.000 0.424 188 K N 0.583 120.870 120.400 -0.188 0.000 2.103 188 K HA -0.086 4.233 4.320 -0.001 0.000 0.207 188 K C 1.634 178.074 176.600 -0.267 0.000 1.048 188 K CA 1.279 57.444 56.287 -0.204 0.000 0.930 188 K CB -0.021 32.377 32.500 -0.170 0.000 0.716 188 K HN 0.290 nan 8.250 nan 0.000 0.444 189 N N 0.117 118.587 118.700 -0.384 0.000 2.290 189 N HA -0.033 4.706 4.740 -0.001 0.000 0.179 189 N C 1.717 177.074 175.510 -0.256 0.000 1.016 189 N CA 0.795 53.652 53.050 -0.321 0.000 0.871 189 N CB 0.161 38.386 38.487 -0.437 0.000 0.987 189 N HN 0.189 nan 8.380 nan 0.000 0.431 190 L N 0.354 121.392 121.223 -0.309 0.000 2.446 190 L HA 0.057 4.397 4.340 -0.001 0.000 0.219 190 L C 1.064 177.568 176.870 -0.610 0.000 1.116 190 L CA 0.406 55.042 54.840 -0.341 0.000 0.844 190 L CB -0.052 41.893 42.059 -0.190 0.000 0.970 190 L HN -0.007 nan 8.230 nan 0.000 0.457 191 N N -0.020 118.294 118.700 -0.644 0.000 2.279 191 N HA 0.004 4.744 4.740 -0.001 0.000 0.226 191 N C 0.378 175.643 175.510 -0.409 0.000 1.126 191 N CA -0.050 52.548 53.050 -0.753 0.000 0.846 191 N CB 0.112 38.195 38.487 -0.673 0.000 1.050 191 N HN 0.190 nan 8.380 nan 0.000 0.502 192 T N -4.251 110.109 114.554 -0.323 0.000 2.788 192 T HA 0.106 4.456 4.350 -0.001 0.000 0.287 192 T C 1.513 176.075 174.700 -0.230 0.000 1.007 192 T CA -0.281 61.680 62.100 -0.232 0.000 1.005 192 T CB 0.710 69.463 68.868 -0.192 0.000 1.012 192 T HN -0.009 nan 8.240 nan 0.000 0.530 193 T N 0.930 115.370 114.554 -0.190 0.000 2.699 193 T HA -0.087 4.263 4.350 -0.001 0.000 0.268 193 T C 1.899 176.467 174.700 -0.219 0.000 1.036 193 T CA 1.497 63.487 62.100 -0.184 0.000 1.147 193 T CB -0.506 68.265 68.868 -0.161 0.000 0.862 193 T HN 0.560 nan 8.240 nan 0.000 0.446 194 I N 0.345 120.767 120.570 -0.247 0.000 2.202 194 I HA -0.137 4.033 4.170 -0.001 0.000 0.242 194 I C 2.502 178.467 176.117 -0.254 0.000 1.091 194 I CA 0.976 62.094 61.300 -0.303 0.000 1.368 194 I CB -0.265 37.549 38.000 -0.311 0.000 1.058 194 I HN 0.196 nan 8.210 nan 0.000 0.410 195 M N 0.090 119.533 119.600 -0.261 0.000 2.229 195 M HA -0.124 4.356 4.480 -0.001 0.000 0.264 195 M C 2.338 178.454 176.300 -0.307 0.000 1.063 195 M CA 1.546 56.662 55.300 -0.308 0.000 1.114 195 M CB -1.146 31.260 32.600 -0.324 0.000 1.387 195 M HN 0.166 nan 8.290 nan 0.000 0.420 196 R N 0.112 120.442 120.500 -0.284 0.000 2.091 196 R HA -0.185 4.154 4.340 -0.001 0.000 0.238 196 R C 2.019 178.216 176.300 -0.172 0.000 1.136 196 R CA 1.664 57.628 56.100 -0.228 0.000 0.959 196 R CB -0.492 29.690 30.300 -0.197 0.000 0.856 196 R HN 0.460 nan 8.270 nan 0.000 0.437 197 D N 0.236 120.541 120.400 -0.159 0.000 2.117 197 D HA -0.112 4.527 4.640 -0.001 0.000 0.198 197 D C 1.814 178.039 176.300 -0.125 0.000 0.982 197 D CA 1.049 54.986 54.000 -0.104 0.000 0.828 197 D CB 0.251 41.019 40.800 -0.054 0.000 0.967 197 D HN 0.009 nan 8.370 nan 0.000 0.464 198 V N 1.297 121.109 119.914 -0.170 0.000 2.261 198 V HA -0.234 3.886 4.120 -0.001 0.000 0.246 198 V C 2.838 178.722 176.094 -0.351 0.000 1.047 198 V CA 1.135 63.285 62.300 -0.250 0.000 1.015 198 V CB -0.507 31.138 31.823 -0.296 0.000 0.642 198 V HN 0.247 nan 8.190 nan 0.000 0.446 199 L N -0.210 120.771 121.223 -0.402 0.000 2.012 199 L HA -0.244 4.096 4.340 -0.001 0.000 0.210 199 L C 2.612 179.325 176.870 -0.261 0.000 1.073 199 L CA 2.265 56.839 54.840 -0.444 0.000 0.748 199 L CB -0.610 41.236 42.059 -0.356 0.000 0.891 199 L HN 0.432 nan 8.230 nan 0.000 0.431 200 E N 0.150 120.246 120.200 -0.173 0.000 2.077 200 E HA -0.178 4.172 4.350 -0.001 0.000 0.193 200 E C 2.185 178.722 176.600 -0.105 0.000 0.989 200 E CA 1.148 57.483 56.400 -0.108 0.000 0.800 200 E CB -0.182 29.475 29.700 -0.072 0.000 0.746 200 E HN 0.433 nan 8.360 nan 0.000 0.452 201 G N 0.854 109.575 108.800 -0.131 0.000 2.422 201 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.218 201 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.218 201 G C 1.515 176.346 174.900 -0.116 0.000 1.146 201 G CA 0.720 45.749 45.100 -0.119 0.000 0.769 201 G HN 0.217 nan 8.290 nan 0.000 0.547 202 L N -0.559 120.552 121.223 -0.187 0.000 2.202 202 L HA 0.273 4.613 4.340 -0.001 0.000 0.205 202 L C 2.579 179.410 176.870 -0.065 0.000 1.083 202 L CA 0.422 55.147 54.840 -0.191 0.000 0.790 202 L CB -0.056 41.736 42.059 -0.445 0.000 0.942 202 L HN 0.178 nan 8.230 nan 0.000 0.452 203 I N -1.222 119.299 120.570 -0.083 0.000 3.081 203 I HA 0.123 4.293 4.170 -0.001 0.000 0.274 203 I C 1.552 177.680 176.117 0.018 0.000 1.178 203 I CA 0.811 62.102 61.300 -0.014 0.000 1.460 203 I CB 0.225 38.190 38.000 -0.057 0.000 1.137 203 I HN 0.367 nan 8.210 nan 0.000 0.443 204 G N 1.765 110.561 108.800 -0.007 0.000 2.176 204 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.232 204 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.232 204 G C 0.235 175.138 174.900 0.004 0.000 0.986 204 G CA 0.124 45.230 45.100 0.010 0.000 0.643 204 G HN 0.394 nan 8.290 nan 0.000 0.522 205 V N -3.028 116.880 119.914 -0.010 0.000 3.007 205 V HA 0.964 5.084 4.120 -0.001 0.000 0.311 205 V C -2.470 173.610 176.094 -0.023 0.000 1.120 205 V CA -2.227 60.066 62.300 -0.012 0.000 0.980 205 V CB 2.446 34.263 31.823 -0.009 0.000 1.033 205 V HN 0.104 nan 8.190 nan 0.000 0.429 206 P HA 0.132 nan 4.420 nan 0.000 0.274 206 P C 0.133 177.447 177.300 0.024 0.000 1.246 206 P CA 0.002 63.103 63.100 0.001 0.000 0.795 206 P CB 0.644 32.347 31.700 0.005 0.000 1.006 207 Y N 1.458 121.704 120.300 -0.090 0.000 2.181 207 Y HA -0.282 4.267 4.550 -0.000 0.000 0.284 207 Y C 2.004 177.869 175.900 -0.057 0.000 1.179 207 Y CA 2.158 60.206 58.100 -0.087 0.000 1.179 207 Y CB -0.672 37.727 38.460 -0.101 0.000 0.973 207 Y HN 0.315 nan 8.280 nan 0.000 0.519 208 E N 0.017 120.191 120.200 -0.043 0.000 2.209 208 E HA -0.171 4.178 4.350 -0.001 0.000 0.196 208 E C 1.231 177.745 176.600 -0.142 0.000 0.993 208 E CA 1.553 57.885 56.400 -0.113 0.000 0.819 208 E CB -0.255 29.429 29.700 -0.027 0.000 0.745 208 E HN 0.528 nan 8.360 nan 0.000 0.477 209 D N -0.796 119.538 120.400 -0.109 0.000 2.340 209 D HA 0.101 4.741 4.640 -0.001 0.000 0.217 209 D C 0.596 176.837 176.300 -0.097 0.000 1.081 209 D CA 0.193 54.142 54.000 -0.086 0.000 0.842 209 D CB 0.045 40.816 40.800 -0.049 0.000 0.934 209 D HN 0.309 nan 8.370 nan 0.000 0.511 210 M N -2.006 117.503 119.600 -0.152 0.000 2.719 210 M HA 0.747 5.226 4.480 -0.001 0.000 0.291 210 M C -0.531 175.664 176.300 -0.174 0.000 1.264 210 M CA -1.053 54.173 55.300 -0.123 0.000 0.811 210 M CB 2.560 35.110 32.600 -0.082 0.000 1.756 210 M HN -0.203 nan 8.290 nan 0.000 0.464 211 G N 0.618 109.376 108.800 -0.069 0.000 2.666 211 G HA2 0.640 4.600 3.960 -0.001 0.000 0.303 211 G HA3 0.640 4.600 3.960 -0.001 0.000 0.303 211 G C -1.556 173.438 174.900 0.158 0.000 1.412 211 G CA -0.498 44.590 45.100 -0.021 0.000 0.979 211 G HN 0.911 nan 8.290 nan 0.000 0.507 212 c N 1.943 120.662 118.600 0.198 0.000 2.376 212 c HA 0.951 5.521 4.570 -0.001 0.000 0.335 212 c C 0.125 174.502 174.090 0.479 0.000 1.229 212 c CA -0.566 55.984 56.329 0.369 0.000 1.867 212 c CB 0.100 42.824 42.510 0.357 0.000 2.319 212 c HN 1.036 nan 8.230 nan 0.000 0.515 213 H N -0.953 118.354 119.070 0.395 0.000 2.960 213 H HA 0.728 5.283 4.556 -0.001 0.000 0.323 213 H C -1.077 174.583 175.328 0.553 0.000 1.326 213 H CA -0.621 55.667 56.048 0.400 0.000 1.124 213 H CB 0.724 30.656 29.762 0.282 0.000 1.853 213 H HN 0.435 nan 8.280 nan 0.000 0.536 214 S N -0.100 115.969 115.700 0.615 0.000 2.537 214 S HA 0.713 5.182 4.470 -0.001 0.000 0.301 214 S C -0.168 174.742 174.600 0.516 0.000 1.092 214 S CA -0.415 58.140 58.200 0.592 0.000 1.048 214 S CB 1.576 65.130 63.200 0.591 0.000 1.053 214 S HN 0.882 nan 8.310 nan 0.000 0.501 215 A N 1.435 124.387 122.820 0.220 0.000 2.371 215 A HA 0.697 5.016 4.320 -0.001 0.000 0.257 215 A C 0.136 177.699 177.584 -0.035 0.000 1.089 215 A CA -0.399 51.486 52.037 -0.253 0.000 0.794 215 A CB 0.013 18.694 19.000 -0.532 0.000 1.029 215 A HN 1.033 nan 8.150 nan 0.000 0.488 216 A N 3.485 126.285 122.820 -0.034 0.000 2.355 216 A HA 0.836 5.156 4.320 -0.001 0.000 0.317 216 A C -2.686 174.873 177.584 -0.042 0.000 1.094 216 A CA -1.790 50.294 52.037 0.079 0.000 0.764 216 A CB 1.162 20.398 19.000 0.394 0.000 1.230 216 A HN 0.655 nan 8.150 nan 0.000 0.448 217 P HA 0.263 nan 4.420 nan 0.000 0.279 217 P C -0.579 176.688 177.300 -0.055 0.000 1.276 217 P CA -0.341 62.746 63.100 -0.021 0.000 0.801 217 P CB 0.663 32.322 31.700 -0.069 0.000 1.127 218 Q N -0.427 119.331 119.800 -0.071 0.000 2.535 218 Q HA 0.304 4.643 4.340 -0.001 0.000 0.228 218 Q C -0.360 175.578 176.000 -0.103 0.000 1.062 218 Q CA -0.091 55.641 55.803 -0.119 0.000 0.967 218 Q CB 0.111 28.767 28.738 -0.138 0.000 1.273 218 Q HN 0.360 nan 8.270 nan 0.000 0.554 219 L N 1.754 122.903 121.223 -0.124 0.000 2.408 219 L HA 0.284 4.624 4.340 -0.001 0.000 0.257 219 L C -0.787 176.067 176.870 -0.027 0.000 1.053 219 L CA -0.575 54.222 54.840 -0.071 0.000 0.922 219 L CB 0.558 42.558 42.059 -0.099 0.000 1.261 219 L HN 0.574 nan 8.230 nan 0.000 0.458 220 H N 1.761 120.796 119.070 -0.059 0.000 2.548 220 H HA 0.243 4.799 4.556 -0.001 0.000 0.331 220 H C -0.830 174.523 175.328 0.042 0.000 1.093 220 H CA -0.157 55.873 56.048 -0.029 0.000 1.367 220 H CB 1.171 30.921 29.762 -0.020 0.000 1.455 220 H HN 0.366 nan 8.280 nan 0.000 0.519 221 D N 5.725 125.781 120.400 -0.574 0.000 2.427 221 D HA 0.185 4.825 4.640 -0.001 0.000 0.226 221 D C -1.951 173.967 176.300 -0.636 0.000 1.076 221 D CA -2.538 51.210 54.000 -0.421 0.000 0.849 221 D CB 1.718 42.364 40.800 -0.256 0.000 1.052 221 D HN 0.395 nan 8.370 nan 0.000 0.515 222 P HA -0.039 nan 4.420 nan 0.000 0.220 222 P C 1.001 178.202 177.300 -0.164 0.000 1.148 222 P CA 0.845 63.815 63.100 -0.216 0.000 0.803 222 P CB 0.283 31.925 31.700 -0.097 0.000 0.782 223 A N -0.091 122.611 122.820 -0.196 0.000 1.877 223 A HA -0.168 4.151 4.320 -0.001 0.000 0.216 223 A C 2.193 179.718 177.584 -0.098 0.000 1.186 223 A CA 2.716 54.672 52.037 -0.134 0.000 0.620 223 A CB -1.756 17.160 19.000 -0.140 0.000 0.822 223 A HN 0.358 nan 8.150 nan 0.000 0.443 224 T N -5.725 108.759 114.554 -0.118 0.000 3.014 224 T HA 0.432 4.781 4.350 -0.001 0.000 0.250 224 T C 1.423 176.092 174.700 -0.051 0.000 1.060 224 T CA 1.081 63.137 62.100 -0.074 0.000 1.040 224 T CB 0.450 69.274 68.868 -0.073 0.000 0.971 224 T HN 1.758 nan 8.240 nan 0.000 0.497 225 G N 1.460 110.202 108.800 -0.096 0.000 2.176 225 G HA2 -0.042 3.917 3.960 -0.001 0.000 0.253 225 G HA3 -0.042 3.917 3.960 -0.001 0.000 0.253 225 G C 0.328 175.270 174.900 0.070 0.000 0.979 225 G CA -0.054 45.067 45.100 0.035 0.000 0.641 225 G HN 1.179 nan 8.290 nan 0.000 0.530 226 A N -0.208 122.572 122.820 -0.067 0.000 2.351 226 A HA 0.726 5.046 4.320 -0.001 0.000 0.257 226 A C 0.447 178.026 177.584 -0.009 0.000 1.087 226 A CA 1.094 53.115 52.037 -0.027 0.000 0.798 226 A CB 0.659 19.619 19.000 -0.066 0.000 1.033 226 A HN 0.794 nan 8.150 nan 0.000 0.488 227 T N 1.524 116.077 114.554 -0.002 0.000 2.890 227 T HA 0.528 4.877 4.350 -0.001 0.000 0.295 227 T C -0.222 174.340 174.700 -0.229 0.000 0.993 227 T CA -0.217 61.860 62.100 -0.039 0.000 0.979 227 T CB 0.773 69.636 68.868 -0.009 0.000 0.967 227 T HN 1.197 nan 8.240 nan 0.000 0.441 228 V N 0.315 120.062 119.914 -0.280 0.000 3.103 228 V HA 0.994 5.114 4.120 -0.001 0.000 0.318 228 V C -1.160 174.589 176.094 -0.575 0.000 1.114 228 V CA -0.863 61.167 62.300 -0.451 0.000 1.020 228 V CB 2.378 33.963 31.823 -0.397 0.000 1.085 228 V HN 0.696 nan 8.190 nan 0.000 0.446 229 D N -0.928 118.936 120.400 -0.892 0.000 2.717 229 D HA 0.482 5.122 4.640 -0.001 0.000 0.223 229 D C -1.749 174.055 176.300 -0.826 0.000 1.240 229 D CA -0.244 53.272 54.000 -0.806 0.000 0.801 229 D CB 2.072 42.316 40.800 -0.928 0.000 1.556 229 D HN 0.586 nan 8.370 nan 0.000 0.462 230 Y N 0.276 120.347 120.300 -0.382 0.000 2.519 230 Y HA 0.759 5.309 4.550 -0.000 0.000 0.324 230 Y C 1.256 177.142 175.900 -0.023 0.000 1.214 230 Y CA 0.083 58.066 58.100 -0.195 0.000 1.260 230 Y CB 2.114 40.446 38.460 -0.213 0.000 1.311 230 Y HN 0.419 nan 8.280 nan 0.000 0.505 231 G N -0.652 108.116 108.800 -0.053 0.000 2.608 231 G HA2 0.521 4.481 3.960 -0.001 0.000 0.291 231 G HA3 0.521 4.481 3.960 -0.001 0.000 0.291 231 G C -1.470 173.022 174.900 -0.679 0.000 1.425 231 G CA -0.558 44.383 45.100 -0.264 0.000 0.787 231 G HN 0.599 nan 8.290 nan 0.000 0.484 232 T N -2.146 112.059 114.554 -0.582 0.000 2.731 232 T HA 0.579 4.929 4.350 -0.001 0.000 0.300 232 T C -1.379 173.236 174.700 -0.143 0.000 1.283 232 T CA -0.272 61.579 62.100 -0.416 0.000 1.005 232 T CB 1.199 69.744 68.868 -0.539 0.000 1.420 232 T HN 0.903 nan 8.240 nan 0.000 0.503 233 c N 1.980 120.584 118.600 0.007 0.000 2.634 233 c HA 0.844 5.414 4.570 -0.001 0.000 0.313 233 c C -0.507 173.623 174.090 0.066 0.000 1.198 233 c CA -0.809 55.599 56.329 0.133 0.000 1.605 233 c CB 0.864 43.489 42.510 0.192 0.000 2.196 233 c HN 0.938 nan 8.230 nan 0.000 0.486 234 N N 0.915 119.682 118.700 0.112 0.000 2.265 234 N HA 0.585 5.325 4.740 -0.001 0.000 0.300 234 N C -0.893 174.633 175.510 0.026 0.000 1.148 234 N CA -0.683 52.409 53.050 0.069 0.000 0.772 234 N CB 0.722 39.251 38.487 0.070 0.000 1.434 234 N HN 0.413 nan 8.380 nan 0.000 0.481 235 I N 1.579 122.160 120.570 0.018 0.000 2.648 235 I HA 0.031 4.201 4.170 -0.001 0.000 0.284 235 I C 0.297 176.386 176.117 -0.047 0.000 1.153 235 I CA -0.100 61.195 61.300 -0.009 0.000 1.426 235 I CB -0.356 37.651 38.000 0.012 0.000 1.381 235 I HN 0.405 nan 8.210 nan 0.000 0.571 236 N N 4.528 123.191 118.700 -0.061 0.000 2.518 236 N HA 0.275 5.014 4.740 -0.001 0.000 0.266 236 N C 0.252 175.709 175.510 -0.088 0.000 1.196 236 N CA -0.042 52.960 53.050 -0.080 0.000 0.947 236 N CB 1.018 39.456 38.487 -0.081 0.000 1.098 236 N HN 0.714 nan 8.380 nan 0.000 0.450 237 T N -2.464 112.025 114.554 -0.108 0.000 2.901 237 T HA 0.388 4.737 4.350 -0.001 0.000 0.293 237 T C 0.330 174.965 174.700 -0.109 0.000 1.084 237 T CA -0.716 61.310 62.100 -0.122 0.000 1.008 237 T CB 1.899 70.660 68.868 -0.178 0.000 1.170 237 T HN 0.239 nan 8.240 nan 0.000 0.509 238 E N 0.419 120.557 120.200 -0.103 0.000 2.474 238 E HA 0.077 4.426 4.350 -0.001 0.000 0.195 238 E C 0.822 177.368 176.600 -0.091 0.000 1.039 238 E CA 0.295 56.643 56.400 -0.086 0.000 0.881 238 E CB 0.108 29.764 29.700 -0.074 0.000 0.970 238 E HN 0.874 nan 8.360 nan 0.000 0.486 239 N N -0.148 118.485 118.700 -0.111 0.000 2.282 239 N HA 0.034 4.774 4.740 -0.001 0.000 0.240 239 N C -0.206 175.243 175.510 -0.103 0.000 1.182 239 N CA -0.003 52.993 53.050 -0.091 0.000 0.874 239 N CB 0.536 38.978 38.487 -0.075 0.000 1.126 239 N HN -0.288 nan 8.380 nan 0.000 0.516 240 D N -0.692 119.623 120.400 -0.143 0.000 3.041 240 D HA -0.206 4.433 4.640 -0.001 0.000 0.220 240 D C 0.284 176.309 176.300 -0.459 0.000 1.157 240 D CA 0.939 54.837 54.000 -0.171 0.000 0.876 240 D CB -1.204 39.582 40.800 -0.023 0.000 1.107 240 D HN 0.630 nan 8.370 nan 0.000 0.422 241 A N -0.298 122.190 122.820 -0.553 0.000 2.460 241 A HA 0.338 4.658 4.320 -0.001 0.000 0.258 241 A C 1.616 178.897 177.584 -0.505 0.000 1.300 241 A CA 0.285 51.798 52.037 -0.873 0.000 0.913 241 A CB 0.127 18.691 19.000 -0.727 0.000 1.031 241 A HN 0.227 nan 8.150 nan 0.000 0.512 242 E N 0.516 120.516 120.200 -0.332 0.000 2.171 242 E HA -0.209 4.141 4.350 -0.001 0.000 0.197 242 E C 1.469 177.988 176.600 -0.134 0.000 0.997 242 E CA 1.627 57.910 56.400 -0.193 0.000 0.810 242 E CB -0.401 29.204 29.700 -0.159 0.000 0.738 242 E HN 0.771 nan 8.360 nan 0.000 0.467 243 N N -0.357 118.248 118.700 -0.158 0.000 2.453 243 N HA -0.062 4.677 4.740 -0.001 0.000 0.183 243 N C 0.885 176.411 175.510 0.026 0.000 1.041 243 N CA 0.255 53.287 53.050 -0.031 0.000 0.900 243 N CB 0.073 38.566 38.487 0.010 0.000 0.961 243 N HN 0.162 nan 8.380 nan 0.000 0.443 244 L N 0.576 121.768 121.223 -0.051 0.000 2.592 244 L HA 0.097 4.436 4.340 -0.001 0.000 0.227 244 L C 0.405 177.371 176.870 0.160 0.000 1.127 244 L CA 0.177 55.059 54.840 0.070 0.000 0.884 244 L CB 0.415 42.437 42.059 -0.061 0.000 1.065 244 L HN 0.030 nan 8.230 nan 0.000 0.457 245 V N -2.639 117.324 119.914 0.082 0.000 2.562 245 V HA 0.391 4.510 4.120 -0.001 0.000 0.274 245 V C -2.668 173.510 176.094 0.141 0.000 1.075 245 V CA -1.637 60.751 62.300 0.147 0.000 1.204 245 V CB -0.023 31.847 31.823 0.077 0.000 1.478 245 V HN -0.072 nan 8.190 nan 0.000 0.622 246 P HA 0.227 nan 4.420 nan 0.000 0.279 246 P C 0.962 178.392 177.300 0.217 0.000 1.239 246 P CA 0.361 63.553 63.100 0.154 0.000 0.789 246 P CB 1.782 33.592 31.700 0.184 0.000 0.933 247 T N -1.820 112.791 114.554 0.095 0.000 3.081 247 T HA 0.201 4.550 4.350 -0.001 0.000 0.255 247 T C 1.394 176.014 174.700 -0.133 0.000 1.113 247 T CA 0.726 62.876 62.100 0.084 0.000 1.082 247 T CB -0.889 68.008 68.868 0.049 0.000 0.939 247 T HN 0.649 nan 8.240 nan 0.000 0.506 248 G N 1.049 109.666 108.800 -0.305 0.000 2.162 248 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.260 248 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.260 248 G C -0.180 174.282 174.900 -0.730 0.000 0.976 248 G CA 0.085 44.811 45.100 -0.622 0.000 0.655 248 G HN 0.674 nan 8.290 nan 0.000 0.533 249 F N 1.144 120.683 119.950 -0.685 0.000 2.405 249 F HA 0.740 5.267 4.527 -0.001 0.000 0.355 249 F C -0.065 175.438 175.800 -0.496 0.000 1.121 249 F CA -1.298 56.527 58.000 -0.292 0.000 1.112 249 F CB 0.456 39.440 39.000 -0.025 0.000 1.126 249 F HN -0.022 nan 8.300 nan 0.000 0.481 250 F N 5.705 125.449 119.950 -0.343 0.000 2.611 250 F HA 0.713 5.239 4.527 -0.001 0.000 0.324 250 F C -0.845 174.898 175.800 -0.095 0.000 1.061 250 F CA -1.022 56.859 58.000 -0.198 0.000 0.954 250 F CB 1.828 40.787 39.000 -0.067 0.000 1.301 250 F HN 0.372 nan 8.300 nan 0.000 0.482 251 F N -0.775 119.371 119.950 0.328 0.000 2.711 251 F HA 0.699 5.226 4.527 -0.000 0.000 0.313 251 F C -1.557 174.358 175.800 0.191 0.000 1.141 251 F CA -1.315 56.806 58.000 0.202 0.000 0.941 251 F CB 1.877 41.012 39.000 0.226 0.000 1.349 251 F HN 0.365 nan 8.300 nan 0.000 0.464 252 K N 1.613 122.151 120.400 0.229 0.000 2.482 252 K HA 0.658 4.977 4.320 -0.001 0.000 0.251 252 K C -2.110 174.528 176.600 0.063 0.000 0.936 252 K CA -0.627 55.556 56.287 -0.173 0.000 0.791 252 K CB 2.298 34.475 32.500 -0.539 0.000 1.213 252 K HN 0.763 nan 8.250 nan 0.000 0.428 253 F N 0.010 119.903 119.950 -0.096 0.000 2.603 253 F HA 0.519 5.046 4.527 -0.001 0.000 0.317 253 F C -0.895 174.797 175.800 -0.181 0.000 1.066 253 F CA -1.155 56.829 58.000 -0.026 0.000 0.941 253 F CB 1.295 40.429 39.000 0.224 0.000 1.291 253 F HN 0.300 nan 8.300 nan 0.000 0.472 254 D N 3.096 123.495 120.400 -0.001 0.000 2.329 254 D HA 0.336 4.976 4.640 -0.001 0.000 0.232 254 D C -0.231 175.876 176.300 -0.322 0.000 1.088 254 D CA -0.546 53.353 54.000 -0.167 0.000 0.835 254 D CB 1.375 42.146 40.800 -0.048 0.000 1.078 254 D HN 0.755 nan 8.370 nan 0.000 0.495 255 M N 1.234 120.461 119.600 -0.622 0.000 2.785 255 M HA 0.319 4.799 4.480 -0.001 0.000 0.374 255 M C -0.387 175.360 176.300 -0.921 0.000 1.221 255 M CA -0.709 53.684 55.300 -1.513 0.000 0.912 255 M CB 0.460 32.117 32.600 -1.572 0.000 1.355 255 M HN -0.098 nan 8.290 nan 0.000 0.513 256 T N 2.379 116.743 114.554 -0.316 0.000 2.888 256 T HA 0.528 4.878 4.350 -0.001 0.000 0.301 256 T C 0.803 175.680 174.700 0.294 0.000 1.001 256 T CA 1.070 63.184 62.100 0.023 0.000 1.147 256 T CB 0.634 69.539 68.868 0.062 0.000 0.931 256 T HN 0.857 nan 8.240 nan 0.000 0.541 257 G N 2.746 111.755 108.800 0.347 0.000 2.746 257 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.685 257 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.685 257 G C 0.301 175.380 174.900 0.300 0.000 1.350 257 G CA -0.654 44.622 45.100 0.292 0.000 0.837 257 G HN 0.688 nan 8.290 nan 0.000 0.564 258 R N -0.301 120.124 120.500 -0.125 0.000 2.297 258 R HA 0.090 4.429 4.340 -0.001 0.000 0.197 258 R C 0.322 176.689 176.300 0.112 0.000 0.943 258 R CA 0.487 56.373 56.100 -0.356 0.000 1.038 258 R CB 0.240 30.042 30.300 -0.830 0.000 0.957 258 R HN 0.470 nan 8.270 nan 0.000 0.484 259 D N 1.087 121.582 120.400 0.160 0.000 2.428 259 D HA 0.009 4.649 4.640 -0.001 0.000 0.221 259 D C 1.345 177.543 176.300 -0.169 0.000 1.123 259 D CA -0.341 53.725 54.000 0.110 0.000 0.869 259 D CB 1.540 42.420 40.800 0.133 0.000 1.032 259 D HN -0.068 nan 8.370 nan 0.000 0.506 260 V N 2.164 121.823 119.914 -0.425 0.000 2.759 260 V HA -0.136 3.984 4.120 -0.001 0.000 0.256 260 V C 1.861 177.754 176.094 -0.335 0.000 1.080 260 V CA 1.683 63.411 62.300 -0.953 0.000 1.101 260 V CB -1.042 30.262 31.823 -0.865 0.000 0.698 260 V HN 0.516 nan 8.190 nan 0.000 0.477 261 S N -0.219 115.413 115.700 -0.113 0.000 2.469 261 S HA -0.156 4.314 4.470 -0.001 0.000 0.238 261 S C 1.798 176.456 174.600 0.098 0.000 0.998 261 S CA 1.111 59.322 58.200 0.019 0.000 0.957 261 S CB -0.467 62.744 63.200 0.018 0.000 0.764 261 S HN 0.674 nan 8.310 nan 0.000 0.514 262 Q N -0.410 119.459 119.800 0.115 0.000 2.408 262 Q HA 0.185 4.524 4.340 -0.001 0.000 0.205 262 Q C -0.339 175.879 176.000 0.362 0.000 0.919 262 Q CA 0.004 55.935 55.803 0.214 0.000 0.932 262 Q CB -0.171 28.690 28.738 0.205 0.000 1.058 262 Q HN 0.634 nan 8.270 nan 0.000 0.517 263 W N 3.389 124.737 121.300 0.081 0.000 2.170 263 W HA 0.156 4.816 4.660 -0.000 0.000 0.342 263 W C 0.806 177.434 176.519 0.183 0.000 1.294 263 W CA -0.313 57.014 57.345 -0.031 0.000 1.246 263 W CB 0.164 29.382 29.460 -0.403 0.000 1.156 263 W HN -0.082 nan 8.180 nan 0.000 0.572 264 K N 1.839 122.476 120.400 0.396 0.000 2.527 264 K HA 0.625 4.945 4.320 -0.001 0.000 0.260 264 K C -1.138 175.755 176.600 0.489 0.000 0.937 264 K CA -1.267 55.301 56.287 0.469 0.000 0.826 264 K CB 1.663 34.325 32.500 0.270 0.000 1.359 264 K HN 0.209 nan 8.250 nan 0.000 0.434 265 M N 3.013 122.867 119.600 0.423 0.000 2.219 265 M HA 0.184 4.664 4.480 -0.001 0.000 0.353 265 M C -0.253 176.111 176.300 0.107 0.000 1.304 265 M CA -0.300 55.147 55.300 0.246 0.000 1.115 265 M CB 0.363 32.970 32.600 0.011 0.000 1.664 265 M HN 0.854 nan 8.290 nan 0.000 0.459 266 L N 1.967 123.225 121.223 0.058 0.000 2.362 266 L HA 0.309 4.648 4.340 -0.001 0.000 0.204 266 L C 0.144 177.001 176.870 -0.023 0.000 1.060 266 L CA 0.429 55.276 54.840 0.011 0.000 0.827 266 L CB 0.040 42.081 42.059 -0.029 0.000 1.027 266 L HN 0.634 nan 8.230 nan 0.000 0.474 267 E N -1.647 118.506 120.200 -0.078 0.000 2.390 267 E HA 0.408 4.758 4.350 -0.001 0.000 0.277 267 E C -1.786 174.733 176.600 -0.136 0.000 0.939 267 E CA -0.633 55.750 56.400 -0.029 0.000 0.769 267 E CB 2.274 32.002 29.700 0.047 0.000 1.251 267 E HN -0.097 nan 8.360 nan 0.000 0.450 268 Y N 0.926 121.395 120.300 0.283 0.000 2.377 268 Y HA 0.551 5.101 4.550 -0.001 0.000 0.339 268 Y C -0.123 175.948 175.900 0.285 0.000 1.011 268 Y CA -0.791 57.461 58.100 0.254 0.000 1.093 268 Y CB 1.387 40.016 38.460 0.282 0.000 1.201 268 Y HN 0.274 nan 8.280 nan 0.000 0.455 269 I N 3.839 124.595 120.570 0.310 0.000 2.478 269 I HA 0.313 4.482 4.170 -0.001 0.000 0.287 269 I C -1.524 174.814 176.117 0.367 0.000 1.042 269 I CA -0.847 60.654 61.300 0.334 0.000 1.067 269 I CB 1.815 39.973 38.000 0.263 0.000 1.233 269 I HN 0.526 nan 8.210 nan 0.000 0.431 270 Y N 6.314 126.791 120.300 0.295 0.000 2.482 270 Y HA 0.304 4.854 4.550 -0.000 0.000 0.334 270 Y C 0.353 176.392 175.900 0.232 0.000 1.091 270 Y CA -1.038 57.215 58.100 0.255 0.000 1.027 270 Y CB 1.323 39.965 38.460 0.303 0.000 1.306 270 Y HN 0.680 nan 8.280 nan 0.000 0.446 271 N N 3.915 122.268 118.700 -0.580 0.000 2.716 271 N HA -0.321 4.419 4.740 -0.001 0.000 0.250 271 N C -0.349 175.098 175.510 -0.106 0.000 1.033 271 N CA 1.842 54.661 53.050 -0.384 0.000 0.727 271 N CB -1.417 36.802 38.487 -0.447 0.000 0.950 271 N HN 0.937 nan 8.380 nan 0.000 0.541 272 N N -2.678 115.999 118.700 -0.038 0.000 2.778 272 N HA -0.257 4.483 4.740 -0.001 0.000 0.249 272 N C -1.073 174.434 175.510 -0.006 0.000 1.069 272 N CA 1.573 54.608 53.050 -0.026 0.000 0.831 272 N CB -0.469 37.984 38.487 -0.056 0.000 1.142 272 N HN 0.634 nan 8.380 nan 0.000 0.573 273 K N 0.461 120.889 120.400 0.047 0.000 2.156 273 K HA 0.643 4.963 4.320 -0.001 0.000 0.254 273 K C -0.468 176.085 176.600 -0.078 0.000 0.950 273 K CA -0.767 55.500 56.287 -0.034 0.000 0.849 273 K CB 2.467 34.957 32.500 -0.017 0.000 1.100 273 K HN -0.180 nan 8.250 nan 0.000 0.434 274 V N 2.975 122.740 119.914 -0.248 0.000 2.483 274 V HA 0.348 4.468 4.120 -0.001 0.000 0.295 274 V C -1.153 174.680 176.094 -0.435 0.000 1.035 274 V CA -0.795 61.407 62.300 -0.164 0.000 0.896 274 V CB 0.618 32.413 31.823 -0.048 0.000 0.986 274 V HN 0.580 nan 8.190 nan 0.000 0.447 275 Y N 1.381 121.801 120.300 0.200 0.000 2.376 275 Y HA 0.384 4.934 4.550 -0.001 0.000 0.340 275 Y C 1.319 177.337 175.900 0.196 0.000 0.965 275 Y CA -0.755 57.475 58.100 0.217 0.000 1.078 275 Y CB 2.139 40.772 38.460 0.288 0.000 1.193 275 Y HN 0.718 nan 8.280 nan 0.000 0.452 276 T N -2.571 112.143 114.554 0.268 0.000 3.129 276 T HA 0.198 4.547 4.350 -0.001 0.000 0.251 276 T C 0.315 175.141 174.700 0.210 0.000 1.117 276 T CA 0.480 62.690 62.100 0.184 0.000 1.034 276 T CB -0.237 68.704 68.868 0.122 0.000 0.968 276 T HN 0.531 nan 8.240 nan 0.000 0.526 277 S N -1.152 114.733 115.700 0.308 0.000 2.588 277 S HA 0.758 5.228 4.470 -0.001 0.000 0.269 277 S C 1.097 175.937 174.600 0.399 0.000 1.157 277 S CA -0.501 57.885 58.200 0.311 0.000 0.824 277 S CB 1.152 64.471 63.200 0.198 0.000 1.126 277 S HN 0.178 nan 8.310 nan 0.000 0.464 278 A N 1.033 124.072 122.820 0.365 0.000 1.908 278 A HA -0.058 4.262 4.320 -0.001 0.000 0.218 278 A C 1.804 179.430 177.584 0.069 0.000 1.181 278 A CA 2.196 54.309 52.037 0.125 0.000 0.627 278 A CB -1.310 17.712 19.000 0.036 0.000 0.818 278 A HN 0.891 nan 8.150 nan 0.000 0.445 279 E N -0.322 119.933 120.200 0.091 0.000 2.085 279 E HA -0.189 4.161 4.350 -0.001 0.000 0.194 279 E C 1.969 178.649 176.600 0.133 0.000 0.994 279 E CA 1.406 57.859 56.400 0.089 0.000 0.801 279 E CB -0.255 29.487 29.700 0.069 0.000 0.743 279 E HN 0.810 nan 8.360 nan 0.000 0.453 280 E N 0.047 120.344 120.200 0.161 0.000 2.077 280 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 280 E C 1.950 178.634 176.600 0.139 0.000 0.989 280 E CA 0.829 57.347 56.400 0.197 0.000 0.800 280 E CB -0.046 29.824 29.700 0.284 0.000 0.746 280 E HN 0.173 nan 8.360 nan 0.000 0.452 281 L N 0.477 121.712 121.223 0.021 0.000 2.027 281 L HA -0.170 4.169 4.340 -0.001 0.000 0.206 281 L C 2.220 178.900 176.870 -0.317 0.000 1.074 281 L CA 1.920 56.520 54.840 -0.399 0.000 0.745 281 L CB -1.095 40.710 42.059 -0.424 0.000 0.898 281 L HN 0.270 nan 8.230 nan 0.000 0.433 282 Y N 0.693 120.838 120.300 -0.257 0.000 2.114 282 Y HA -0.309 4.241 4.550 -0.001 0.000 0.282 282 Y C 2.418 178.189 175.900 -0.215 0.000 1.165 282 Y CA 2.403 60.354 58.100 -0.249 0.000 1.148 282 Y CB -0.140 38.212 38.460 -0.178 0.000 0.972 282 Y HN 0.394 nan 8.280 nan 0.000 0.504 283 E N -0.019 120.127 120.200 -0.090 0.000 2.077 283 E HA -0.215 4.135 4.350 -0.001 0.000 0.193 283 E C 2.383 178.872 176.600 -0.185 0.000 0.989 283 E CA 0.894 57.220 56.400 -0.123 0.000 0.800 283 E CB -0.375 29.350 29.700 0.042 0.000 0.746 283 E HN 0.603 nan 8.360 nan 0.000 0.452 284 A N 1.085 123.826 122.820 -0.131 0.000 1.940 284 A HA -0.196 4.124 4.320 -0.001 0.000 0.219 284 A C 2.105 179.502 177.584 -0.312 0.000 1.176 284 A CA 1.435 53.443 52.037 -0.048 0.000 0.631 284 A CB -0.471 18.626 19.000 0.161 0.000 0.814 284 A HN 0.168 nan 8.150 nan 0.000 0.446 285 M N -0.722 118.431 119.600 -0.745 0.000 2.476 285 M HA -0.095 4.385 4.480 -0.001 0.000 0.262 285 M C 1.675 177.622 176.300 -0.588 0.000 1.079 285 M CA 0.702 55.321 55.300 -1.136 0.000 1.104 285 M CB -0.023 31.931 32.600 -1.076 0.000 1.409 285 M HN 0.332 nan 8.290 nan 0.000 0.467 286 Q N 0.417 119.944 119.800 -0.456 0.000 2.389 286 Q HA 0.109 4.449 4.340 -0.001 0.000 0.204 286 Q C 0.302 176.225 176.000 -0.130 0.000 0.944 286 Q CA 0.638 56.260 55.803 -0.301 0.000 0.908 286 Q CB -0.034 28.516 28.738 -0.313 0.000 1.002 286 Q HN 0.325 nan 8.270 nan 0.000 0.493 287 K N 1.770 122.129 120.400 -0.068 0.000 2.295 287 K HA 0.025 4.344 4.320 -0.001 0.000 0.270 287 K C 0.596 177.237 176.600 0.068 0.000 1.011 287 K CA -0.072 56.229 56.287 0.023 0.000 0.953 287 K CB 0.618 33.164 32.500 0.075 0.000 0.956 287 K HN -0.013 nan 8.250 nan 0.000 0.477 288 D N 1.420 121.854 120.400 0.057 0.000 2.218 288 D HA -0.159 4.480 4.640 -0.001 0.000 0.204 288 D C 1.012 177.366 176.300 0.089 0.000 0.976 288 D CA 1.282 55.320 54.000 0.063 0.000 0.853 288 D CB 0.125 40.950 40.800 0.042 0.000 0.939 288 D HN 0.593 nan 8.370 nan 0.000 0.481 289 D N -0.138 120.322 120.400 0.100 0.000 2.349 289 D HA -0.131 4.509 4.640 -0.001 0.000 0.224 289 D C 0.496 176.869 176.300 0.122 0.000 1.029 289 D CA -0.420 53.635 54.000 0.092 0.000 0.879 289 D CB -0.863 39.982 40.800 0.075 0.000 0.906 289 D HN 0.062 nan 8.370 nan 0.000 0.528 290 F N 1.567 121.540 119.950 0.038 0.000 2.543 290 F HA 0.195 4.722 4.527 -0.000 0.000 0.375 290 F C -0.079 175.766 175.800 0.074 0.000 1.075 290 F CA -0.451 57.584 58.000 0.058 0.000 1.225 290 F CB 0.840 39.855 39.000 0.025 0.000 1.099 290 F HN -0.297 nan 8.300 nan 0.000 0.561 291 V N 5.975 125.522 119.914 -0.612 0.000 2.383 291 V HA 0.242 4.362 4.120 -0.001 0.000 0.275 291 V C 0.022 175.921 176.094 -0.326 0.000 1.036 291 V CA -0.460 61.639 62.300 -0.335 0.000 0.889 291 V CB 1.244 32.929 31.823 -0.231 0.000 0.985 291 V HN 0.810 nan 8.190 nan 0.000 0.459 292 T N 6.914 121.508 114.554 0.068 0.000 2.758 292 T HA 0.562 4.911 4.350 -0.001 0.000 0.285 292 T C -0.000 174.830 174.700 0.218 0.000 0.981 292 T CA -0.304 61.967 62.100 0.285 0.000 0.965 292 T CB 0.804 69.847 68.868 0.293 0.000 0.927 292 T HN 0.332 nan 8.240 nan 0.000 0.448 293 L N 4.319 125.705 121.223 0.271 0.000 2.464 293 L HA 0.321 4.661 4.340 -0.001 0.000 0.264 293 L C -1.791 175.233 176.870 0.257 0.000 1.199 293 L CA -2.093 52.865 54.840 0.198 0.000 0.818 293 L CB -0.151 41.975 42.059 0.111 0.000 1.102 293 L HN 0.358 nan 8.230 nan 0.000 0.473 294 P HA 0.027 nan 4.420 nan 0.000 0.264 294 P C -1.114 176.370 177.300 0.306 0.000 1.183 294 P CA 0.247 63.489 63.100 0.237 0.000 0.763 294 P CB 0.328 32.147 31.700 0.197 0.000 0.807 295 K N 2.485 123.021 120.400 0.227 0.000 2.087 295 K HA 0.417 4.737 4.320 -0.001 0.000 0.255 295 K C 0.337 177.069 176.600 0.219 0.000 0.988 295 K CA -0.888 55.535 56.287 0.227 0.000 0.915 295 K CB 0.822 33.415 32.500 0.154 0.000 1.043 295 K HN 0.359 nan 8.250 nan 0.000 0.457 296 I N 1.554 122.265 120.570 0.235 0.000 2.648 296 I HA -0.100 4.069 4.170 -0.001 0.000 0.284 296 I C 0.508 176.734 176.117 0.182 0.000 1.153 296 I CA 0.123 61.559 61.300 0.228 0.000 1.426 296 I CB 0.268 38.411 38.000 0.239 0.000 1.381 296 I HN 0.520 nan 8.210 nan 0.000 0.571 297 D N 6.348 126.863 120.400 0.192 0.000 2.435 297 D HA 0.060 4.700 4.640 -0.001 0.000 0.230 297 D C 0.950 177.357 176.300 0.179 0.000 1.215 297 D CA -0.259 53.839 54.000 0.164 0.000 0.947 297 D CB 0.927 41.820 40.800 0.156 0.000 1.048 297 D HN 0.364 nan 8.370 nan 0.000 0.512 298 V N 0.820 120.810 119.914 0.127 0.000 3.380 298 V HA 0.010 4.130 4.120 -0.001 0.000 0.268 298 V C 0.953 177.090 176.094 0.072 0.000 1.168 298 V CA 0.795 63.152 62.300 0.096 0.000 1.156 298 V CB -0.038 31.820 31.823 0.059 0.000 0.785 298 V HN 0.195 nan 8.190 nan 0.000 0.487 299 D N 1.101 121.550 120.400 0.081 0.000 2.349 299 D HA 0.078 4.718 4.640 -0.001 0.000 0.215 299 D C 0.272 176.621 176.300 0.082 0.000 1.016 299 D CA 0.512 54.550 54.000 0.063 0.000 0.870 299 D CB -0.029 40.803 40.800 0.054 0.000 0.917 299 D HN 0.550 nan 8.370 nan 0.000 0.524 300 N N 0.808 119.589 118.700 0.135 0.000 2.750 300 N HA 0.193 4.933 4.740 -0.001 0.000 0.253 300 N C 0.029 175.713 175.510 0.289 0.000 1.408 300 N CA -0.031 53.129 53.050 0.183 0.000 0.780 300 N CB 1.437 40.039 38.487 0.192 0.000 1.191 300 N HN 0.030 nan 8.380 nan 0.000 0.511 301 L N 0.024 121.307 121.223 0.101 0.000 3.066 301 L HA 0.230 4.570 4.340 -0.001 0.000 0.265 301 L C 0.842 177.518 176.870 -0.323 0.000 1.232 301 L CA -0.116 54.621 54.840 -0.171 0.000 1.031 301 L CB 0.427 42.353 42.059 -0.222 0.000 1.379 301 L HN 0.014 nan 8.230 nan 0.000 0.563 302 D N 1.054 121.429 120.400 -0.042 0.000 2.218 302 D HA -0.199 4.440 4.640 -0.001 0.000 0.204 302 D C 1.939 178.216 176.300 -0.038 0.000 0.976 302 D CA 1.054 55.037 54.000 -0.028 0.000 0.853 302 D CB 0.020 40.857 40.800 0.063 0.000 0.939 302 D HN 0.539 nan 8.370 nan 0.000 0.481 303 W N 1.503 122.793 121.300 -0.016 0.000 2.632 303 W HA -0.041 4.618 4.660 -0.001 0.000 0.248 303 W C 0.947 177.439 176.519 -0.044 0.000 1.259 303 W CA 1.378 58.703 57.345 -0.033 0.000 1.288 303 W CB -1.538 27.887 29.460 -0.059 0.000 1.136 303 W HN 0.001 nan 8.180 nan 0.000 0.640 304 T N -1.526 112.597 114.554 -0.720 0.000 3.086 304 T HA 0.234 4.583 4.350 -0.001 0.000 0.250 304 T C 0.480 175.088 174.700 -0.154 0.000 1.074 304 T CA -0.106 61.667 62.100 -0.545 0.000 0.988 304 T CB -0.381 68.011 68.868 -0.793 0.000 0.988 304 T HN -0.139 nan 8.240 nan 0.000 0.530 305 V N 2.361 122.197 119.914 -0.130 0.000 2.488 305 V HA 0.327 4.446 4.120 -0.001 0.000 0.277 305 V C 1.415 177.486 176.094 -0.039 0.000 1.046 305 V CA -0.427 61.837 62.300 -0.060 0.000 0.986 305 V CB 0.807 32.590 31.823 -0.067 0.000 0.989 305 V HN 0.384 nan 8.190 nan 0.000 0.475 306 I N 2.711 123.255 120.570 -0.044 0.000 2.400 306 I HA -0.048 4.122 4.170 -0.001 0.000 0.248 306 I C 1.662 177.732 176.117 -0.078 0.000 1.109 306 I CA 0.537 61.783 61.300 -0.091 0.000 1.425 306 I CB -0.110 37.800 38.000 -0.151 0.000 1.094 306 I HN 0.774 nan 8.210 nan 0.000 0.425 307 Q N 2.784 122.542 119.800 -0.069 0.000 2.407 307 Q HA 0.111 4.451 4.340 -0.001 0.000 0.214 307 Q C 0.111 176.081 176.000 -0.050 0.000 1.043 307 Q CA -0.405 55.358 55.803 -0.068 0.000 0.983 307 Q CB 0.591 29.284 28.738 -0.074 0.000 1.211 307 Q HN 0.227 nan 8.270 nan 0.000 0.564 308 R N 1.137 121.608 120.500 -0.047 0.000 2.623 308 R HA -0.008 4.332 4.340 -0.001 0.000 0.271 308 R C -0.009 176.277 176.300 -0.025 0.000 1.043 308 R CA -0.118 55.964 56.100 -0.031 0.000 1.083 308 R CB 0.352 30.635 30.300 -0.029 0.000 0.974 308 R HN 0.625 nan 8.270 nan 0.000 0.436 309 N N 2.547 121.239 118.700 -0.014 0.000 2.430 309 N HA -0.031 4.708 4.740 -0.001 0.000 0.265 309 N C -0.317 175.189 175.510 -0.007 0.000 1.100 309 N CA -0.078 52.968 53.050 -0.008 0.000 0.961 309 N CB 1.127 39.615 38.487 0.002 0.000 1.075 309 N HN 0.503 nan 8.380 nan 0.000 0.478 310 D N 1.030 121.424 120.400 -0.010 0.000 2.351 310 D HA -0.126 4.514 4.640 -0.001 0.000 0.216 310 D C 1.387 177.685 176.300 -0.003 0.000 0.968 310 D CA 0.923 54.918 54.000 -0.008 0.000 0.899 310 D CB 0.126 40.919 40.800 -0.011 0.000 0.907 310 D HN 0.645 nan 8.370 nan 0.000 0.514 311 S N -0.598 115.102 115.700 0.000 0.000 2.548 311 S HA 0.255 4.725 4.470 -0.001 0.000 0.215 311 S C 1.015 175.618 174.600 0.005 0.000 0.976 311 S CA -0.309 57.893 58.200 0.003 0.000 0.908 311 S CB 0.210 63.414 63.200 0.006 0.000 0.781 311 S HN 0.127 nan 8.310 nan 0.000 0.519 312 A N 3.293 126.115 122.820 0.005 0.000 2.454 312 A HA 0.582 4.901 4.320 -0.001 0.000 0.260 312 A C -2.203 175.386 177.584 0.008 0.000 1.106 312 A CA -1.280 50.762 52.037 0.007 0.000 0.780 312 A CB -0.513 18.491 19.000 0.007 0.000 1.044 312 A HN 0.369 nan 8.150 nan 0.000 0.498 313 P HA 0.155 nan 4.420 nan 0.000 0.267 313 P C -0.396 176.914 177.300 0.017 0.000 1.200 313 P CA 0.106 63.214 63.100 0.013 0.000 0.772 313 P CB 0.336 32.044 31.700 0.013 0.000 0.855 314 I N 2.608 123.190 120.570 0.021 0.000 2.474 314 I HA 0.141 4.310 4.170 -0.001 0.000 0.287 314 I C 1.307 177.449 176.117 0.041 0.000 1.048 314 I CA -0.420 60.896 61.300 0.026 0.000 1.383 314 I CB 0.454 38.470 38.000 0.026 0.000 1.412 314 I HN 0.224 nan 8.210 nan 0.000 0.531 315 R N 3.983 124.508 120.500 0.041 0.000 2.694 315 R HA 0.077 4.417 4.340 -0.001 0.000 0.268 315 R C 0.398 176.757 176.300 0.099 0.000 1.061 315 R CA -0.497 55.640 56.100 0.062 0.000 1.133 315 R CB 0.187 30.515 30.300 0.047 0.000 1.020 315 R HN 0.597 nan 8.270 nan 0.000 0.475 316 H N 3.343 122.415 119.070 0.003 0.000 3.125 316 H HA -0.106 4.450 4.556 -0.001 0.000 0.310 316 H C 0.712 176.042 175.328 0.004 0.000 0.980 316 H CA 0.695 56.745 56.048 0.003 0.000 1.422 316 H CB 0.293 30.057 29.762 0.003 0.000 1.432 316 H HN 0.579 nan 8.280 nan 0.000 0.577 317 L N 3.336 124.431 121.223 -0.213 0.000 5.081 317 L HA -0.285 4.054 4.340 -0.001 0.000 0.423 317 L C 1.092 177.909 176.870 -0.089 0.000 1.019 317 L CA 0.900 55.606 54.840 -0.223 0.000 1.223 317 L CB -1.261 40.596 42.059 -0.337 0.000 1.940 317 L HN 0.579 nan 8.230 nan 0.000 0.675 318 D N 1.263 121.641 120.400 -0.036 0.000 2.363 318 D HA -0.041 4.599 4.640 -0.001 0.000 0.226 318 D C 1.302 177.598 176.300 -0.007 0.000 1.020 318 D CA 1.170 55.162 54.000 -0.013 0.000 0.892 318 D CB 0.106 40.909 40.800 0.006 0.000 0.900 318 D HN 0.673 nan 8.370 nan 0.000 0.531 319 D N -1.033 119.361 120.400 -0.010 0.000 2.319 319 D HA -0.016 4.624 4.640 -0.001 0.000 0.230 319 D C 0.129 176.422 176.300 -0.011 0.000 1.094 319 D CA -0.024 53.974 54.000 -0.004 0.000 0.856 319 D CB -0.211 40.592 40.800 0.004 0.000 0.915 319 D HN 0.072 nan 8.370 nan 0.000 0.517 320 R N 0.316 120.803 120.500 -0.022 0.000 2.589 320 R HA 0.411 4.751 4.340 -0.001 0.000 0.293 320 R C -0.066 176.225 176.300 -0.014 0.000 0.963 320 R CA -0.879 55.209 56.100 -0.021 0.000 0.905 320 R CB 1.842 32.121 30.300 -0.035 0.000 1.144 320 R HN -0.105 nan 8.270 nan 0.000 0.459 321 K N 1.397 121.792 120.400 -0.009 0.000 2.448 321 K HA 0.014 4.334 4.320 -0.001 0.000 0.278 321 K C 0.421 177.012 176.600 -0.015 0.000 1.009 321 K CA 0.084 56.367 56.287 -0.007 0.000 0.995 321 K CB 0.575 33.071 32.500 -0.007 0.000 0.917 321 K HN 0.661 nan 8.250 nan 0.000 0.481 322 S N 2.938 118.628 115.700 -0.017 0.000 2.608 322 S HA 0.242 4.712 4.470 -0.001 0.000 0.261 322 S C -2.131 172.452 174.600 -0.029 0.000 1.314 322 S CA -1.353 56.835 58.200 -0.021 0.000 0.992 322 S CB 0.037 63.225 63.200 -0.019 0.000 0.935 322 S HN 0.331 nan 8.310 nan 0.000 0.564 323 P HA 0.319 nan 4.420 nan 0.000 0.270 323 P C -0.547 176.729 177.300 -0.040 0.000 1.223 323 P CA -0.290 62.795 63.100 -0.025 0.000 0.785 323 P CB 0.357 32.049 31.700 -0.014 0.000 0.923 324 R N 1.316 121.794 120.500 -0.037 0.000 2.621 324 R HA 0.444 4.784 4.340 -0.001 0.000 0.292 324 R C -0.877 175.400 176.300 -0.038 0.000 0.969 324 R CA -1.146 54.924 56.100 -0.051 0.000 0.887 324 R CB 1.510 31.780 30.300 -0.049 0.000 1.180 324 R HN 0.374 nan 8.270 nan 0.000 0.450 325 L N 3.705 124.900 121.223 -0.048 0.000 2.331 325 L HA 0.310 4.650 4.340 -0.001 0.000 0.278 325 L C -0.256 176.600 176.870 -0.023 0.000 1.106 325 L CA -0.064 54.761 54.840 -0.026 0.000 0.824 325 L CB 1.177 43.219 42.059 -0.029 0.000 1.142 325 L HN 0.451 nan 8.230 nan 0.000 0.443 326 V N 1.319 121.226 119.914 -0.011 0.000 3.074 326 V HA 0.648 4.768 4.120 -0.001 0.000 0.314 326 V C -0.587 175.505 176.094 -0.003 0.000 1.117 326 V CA -0.868 61.424 62.300 -0.012 0.000 1.014 326 V CB 2.007 33.817 31.823 -0.022 0.000 1.057 326 V HN 0.743 nan 8.190 nan 0.000 0.438 327 E N 2.532 122.730 120.200 -0.003 0.000 2.173 327 E HA 0.382 4.732 4.350 -0.001 0.000 0.249 327 E C -2.086 174.497 176.600 -0.028 0.000 0.923 327 E CA -1.633 54.766 56.400 -0.002 0.000 0.754 327 E CB 1.775 31.487 29.700 0.021 0.000 1.177 327 E HN 0.633 nan 8.360 nan 0.000 0.430 328 P HA -0.174 nan 4.420 nan 0.000 0.218 328 P C 0.144 177.407 177.300 -0.061 0.000 1.148 328 P CA 1.241 64.299 63.100 -0.069 0.000 0.822 328 P CB 0.313 31.944 31.700 -0.116 0.000 0.784 329 E N -1.141 119.026 120.200 -0.055 0.000 2.887 329 E HA 0.380 4.730 4.350 -0.001 0.000 0.206 329 E C 0.543 177.124 176.600 -0.032 0.000 0.983 329 E CA -0.162 56.211 56.400 -0.046 0.000 1.141 329 E CB 0.425 30.093 29.700 -0.052 0.000 1.061 329 E HN 0.102 nan 8.360 nan 0.000 0.468 330 G N 2.117 110.900 108.800 -0.028 0.000 2.725 330 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.220 330 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.220 330 G C -0.502 174.384 174.900 -0.025 0.000 1.357 330 G CA -0.599 44.483 45.100 -0.031 0.000 0.866 330 G HN 0.271 nan 8.290 nan 0.000 0.548 331 R N 0.330 120.788 120.500 -0.070 0.000 2.438 331 R HA 0.475 4.814 4.340 -0.001 0.000 0.287 331 R C 1.169 177.421 176.300 -0.080 0.000 1.077 331 R CA -0.189 55.836 56.100 -0.125 0.000 1.034 331 R CB 0.215 30.311 30.300 -0.339 0.000 0.993 331 R HN 0.587 nan 8.270 nan 0.000 0.459 332 R N 4.099 124.633 120.500 0.058 0.000 2.472 332 R HA 0.149 4.489 4.340 -0.001 0.000 0.279 332 R C -0.617 175.935 176.300 0.419 0.000 0.953 332 R CA -0.249 55.975 56.100 0.206 0.000 1.088 332 R CB 0.505 30.977 30.300 0.287 0.000 1.197 332 R HN 0.575 nan 8.270 nan 0.000 0.536 333 W N 0.149 121.642 121.300 0.321 0.000 2.719 333 W HA 0.820 5.480 4.660 -0.001 0.000 0.352 333 W C -1.092 175.584 176.519 0.262 0.000 1.085 333 W CA -1.464 56.089 57.345 0.346 0.000 1.187 333 W CB 0.721 30.357 29.460 0.292 0.000 1.417 333 W HN -0.224 nan 8.180 nan 0.000 0.557 334 A N 2.209 125.311 122.820 0.469 0.000 2.430 334 A HA 0.966 5.285 4.320 -0.001 0.000 0.300 334 A C -1.993 175.845 177.584 0.424 0.000 1.124 334 A CA -0.876 51.331 52.037 0.282 0.000 0.766 334 A CB 2.046 21.113 19.000 0.112 0.000 1.328 334 A HN 1.014 nan 8.150 nan 0.000 0.424 335 Y N -0.955 119.387 120.300 0.070 0.000 2.638 335 Y HA 0.698 5.247 4.550 -0.001 0.000 0.335 335 Y C -1.429 174.428 175.900 -0.072 0.000 1.155 335 Y CA -1.207 56.814 58.100 -0.133 0.000 1.046 335 Y CB 1.384 39.700 38.460 -0.240 0.000 1.303 335 Y HN 0.514 nan 8.280 nan 0.000 0.460 336 D N 0.994 121.331 120.400 -0.105 0.000 2.392 336 D HA 0.285 4.925 4.640 -0.001 0.000 0.228 336 D C 0.803 177.156 176.300 0.089 0.000 1.074 336 D CA 0.060 54.021 54.000 -0.064 0.000 0.838 336 D CB 1.785 42.613 40.800 0.047 0.000 1.067 336 D HN 0.965 nan 8.370 nan 0.000 0.511 337 G N 3.329 112.195 108.800 0.110 0.000 2.422 337 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.218 337 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.218 337 G C 1.163 176.222 174.900 0.264 0.000 1.140 337 G CA 0.389 45.715 45.100 0.377 0.000 0.775 337 G HN 0.447 nan 8.290 nan 0.000 0.545 338 E N 0.684 120.985 120.200 0.168 0.000 2.208 338 E HA -0.021 4.329 4.350 -0.001 0.000 0.193 338 E C 1.917 178.630 176.600 0.188 0.000 0.988 338 E CA 0.655 57.150 56.400 0.158 0.000 0.828 338 E CB 0.057 29.822 29.700 0.108 0.000 0.763 338 E HN 0.412 nan 8.360 nan 0.000 0.478 339 E N 0.195 120.519 120.200 0.206 0.000 2.498 339 E HA 0.058 4.407 4.350 -0.001 0.000 0.203 339 E C -0.416 176.405 176.600 0.367 0.000 1.013 339 E CA -0.152 56.417 56.400 0.283 0.000 0.927 339 E CB 0.420 30.302 29.700 0.304 0.000 1.012 339 E HN 0.249 nan 8.360 nan 0.000 0.482 340 E N 0.567 120.926 120.200 0.266 0.000 2.228 340 E HA -0.262 4.088 4.350 -0.001 0.000 0.213 340 E C -0.849 175.871 176.600 0.201 0.000 1.282 340 E CA 0.396 56.930 56.400 0.222 0.000 0.707 340 E CB -1.545 28.398 29.700 0.404 0.000 1.150 340 E HN 0.261 nan 8.360 nan 0.000 0.362 341 Y N 0.233 120.398 120.300 -0.225 0.000 2.377 341 Y HA 0.541 5.091 4.550 -0.000 0.000 0.339 341 Y C -0.741 174.763 175.900 -0.661 0.000 1.011 341 Y CA -1.062 56.800 58.100 -0.397 0.000 1.093 341 Y CB 0.821 39.020 38.460 -0.434 0.000 1.201 341 Y HN -0.029 nan 8.280 nan 0.000 0.455 342 F N 3.180 122.441 119.950 -1.148 0.000 2.532 342 F HA 0.587 5.114 4.527 -0.001 0.000 0.321 342 F C -0.154 175.026 175.800 -1.033 0.000 1.089 342 F CA -0.745 56.696 58.000 -0.931 0.000 0.926 342 F CB 2.243 40.544 39.000 -1.165 0.000 1.168 342 F HN 0.401 nan 8.300 nan 0.000 0.459 343 S N 2.669 118.234 115.700 -0.226 0.000 2.538 343 S HA 0.683 5.152 4.470 -0.001 0.000 0.288 343 S C -2.130 172.634 174.600 0.272 0.000 1.108 343 S CA -0.375 57.797 58.200 -0.047 0.000 0.971 343 S CB 0.917 64.132 63.200 0.024 0.000 1.041 343 S HN 0.672 nan 8.310 nan 0.000 0.483 344 W N 6.955 128.319 121.300 0.107 0.000 3.544 344 W HA 0.414 5.073 4.660 -0.001 0.000 0.326 344 W C -0.614 176.087 176.519 0.303 0.000 1.137 344 W CA -0.588 56.877 57.345 0.199 0.000 1.252 344 W CB 0.955 30.497 29.460 0.136 0.000 1.302 344 W HN 0.651 nan 8.180 nan 0.000 0.467 345 M N 6.566 125.889 119.600 -0.462 0.000 2.169 345 M HA -0.305 4.175 4.480 -0.001 0.000 0.196 345 M C 0.280 176.503 176.300 -0.129 0.000 0.355 345 M CA 2.072 57.068 55.300 -0.507 0.000 0.396 345 M CB -2.092 29.791 32.600 -1.195 0.000 1.125 345 M HN 0.741 nan 8.290 nan 0.000 0.939 346 D N -3.680 116.687 120.400 -0.055 0.000 2.876 346 D HA -0.203 4.437 4.640 -0.001 0.000 0.196 346 D C -0.256 176.042 176.300 -0.003 0.000 1.014 346 D CA 1.598 55.520 54.000 -0.129 0.000 1.012 346 D CB -1.263 39.285 40.800 -0.420 0.000 1.080 346 D HN 0.726 nan 8.370 nan 0.000 0.438 347 W N 1.045 122.487 121.300 0.237 0.000 2.313 347 W HA 0.591 5.250 4.660 -0.001 0.000 0.328 347 W C 1.173 177.765 176.519 0.121 0.000 1.197 347 W CA 0.353 57.903 57.345 0.340 0.000 1.235 347 W CB 1.403 31.113 29.460 0.417 0.000 1.158 347 W HN 0.050 nan 8.180 nan 0.000 0.578 348 G N 1.885 110.925 108.800 0.400 0.000 2.612 348 G HA2 0.833 4.793 3.960 -0.001 0.000 0.298 348 G HA3 0.833 4.793 3.960 -0.001 0.000 0.298 348 G C -1.882 173.110 174.900 0.153 0.000 1.336 348 G CA -0.828 44.285 45.100 0.022 0.000 0.953 348 G HN 0.552 nan 8.290 nan 0.000 0.482 349 F N -1.156 118.666 119.950 -0.213 0.000 2.770 349 F HA 0.682 5.208 4.527 -0.001 0.000 0.313 349 F C -2.190 173.585 175.800 -0.042 0.000 1.154 349 F CA -1.972 56.041 58.000 0.022 0.000 0.923 349 F CB 0.991 40.057 39.000 0.112 0.000 1.301 349 F HN 0.461 nan 8.300 nan 0.000 0.449 350 Y N 0.496 121.117 120.300 0.535 0.000 2.446 350 Y HA 0.683 5.233 4.550 -0.000 0.000 0.338 350 Y C 0.552 176.687 175.900 0.393 0.000 1.055 350 Y CA -0.583 57.818 58.100 0.500 0.000 1.101 350 Y CB 2.193 40.962 38.460 0.515 0.000 1.221 350 Y HN 0.835 nan 8.280 nan 0.000 0.460 351 T N -1.653 113.176 114.554 0.458 0.000 2.952 351 T HA 0.780 5.129 4.350 -0.001 0.000 0.286 351 T C -0.430 174.352 174.700 0.136 0.000 1.024 351 T CA -0.797 61.318 62.100 0.025 0.000 1.029 351 T CB 1.849 70.553 68.868 -0.275 0.000 1.094 351 T HN 0.570 nan 8.240 nan 0.000 0.515 352 S N 0.031 115.719 115.700 -0.021 0.000 2.579 352 S HA 0.631 5.101 4.470 -0.001 0.000 0.272 352 S C -2.326 172.303 174.600 0.049 0.000 1.141 352 S CA -0.856 57.418 58.200 0.123 0.000 0.843 352 S CB 1.619 64.947 63.200 0.213 0.000 1.122 352 S HN 0.825 nan 8.310 nan 0.000 0.468 353 W N 3.340 124.586 121.300 -0.090 0.000 2.998 353 W HA 0.595 5.254 4.660 -0.001 0.000 0.335 353 W C -1.067 175.379 176.519 -0.122 0.000 1.110 353 W CA -0.486 56.762 57.345 -0.163 0.000 1.230 353 W CB 1.907 31.305 29.460 -0.104 0.000 1.405 353 W HN 0.889 nan 8.180 nan 0.000 0.493 354 S N 4.673 120.037 115.700 -0.560 0.000 2.568 354 S HA 0.380 4.850 4.470 -0.001 0.000 0.293 354 S C 0.723 175.049 174.600 -0.458 0.000 1.089 354 S CA -0.752 57.239 58.200 -0.347 0.000 0.945 354 S CB 2.672 65.687 63.200 -0.308 0.000 1.077 354 S HN 0.673 nan 8.310 nan 0.000 0.485 355 R N 0.917 121.270 120.500 -0.245 0.000 2.081 355 R HA -0.126 4.214 4.340 -0.001 0.000 0.235 355 R C 0.525 176.632 176.300 -0.321 0.000 1.131 355 R CA 2.186 58.145 56.100 -0.234 0.000 0.960 355 R CB -1.066 29.073 30.300 -0.269 0.000 0.856 355 R HN 0.800 nan 8.270 nan 0.000 0.436 356 D N -0.305 119.858 120.400 -0.395 0.000 2.097 356 D HA -0.111 4.528 4.640 -0.001 0.000 0.195 356 D C 1.653 177.773 176.300 -0.300 0.000 0.989 356 D CA 2.373 56.160 54.000 -0.356 0.000 0.827 356 D CB -0.076 40.504 40.800 -0.368 0.000 0.966 356 D HN 0.525 nan 8.370 nan 0.000 0.456 357 T N -4.039 110.277 114.554 -0.396 0.000 3.004 357 T HA 0.491 4.840 4.350 -0.001 0.000 0.266 357 T C 1.207 175.552 174.700 -0.591 0.000 0.986 357 T CA 0.543 62.399 62.100 -0.406 0.000 0.902 357 T CB 1.199 69.839 68.868 -0.380 0.000 1.118 357 T HN 0.277 nan 8.240 nan 0.000 0.522 358 G N 2.028 110.231 108.800 -0.995 0.000 2.509 358 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.256 358 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.256 358 G C -0.299 173.470 174.900 -1.884 0.000 1.152 358 G CA -0.226 43.668 45.100 -2.011 0.000 0.951 358 G HN 0.733 nan 8.290 nan 0.000 0.559 359 I N 1.183 120.738 120.570 -1.691 0.000 2.581 359 I HA 0.543 4.713 4.170 -0.001 0.000 0.288 359 I C 0.342 176.007 176.117 -0.753 0.000 1.047 359 I CA 0.026 60.728 61.300 -0.997 0.000 1.374 359 I CB 1.204 38.679 38.000 -0.873 0.000 1.423 359 I HN 0.581 nan 8.210 nan 0.000 0.549 360 S N 5.010 120.270 115.700 -0.733 0.000 2.595 360 S HA 0.641 5.111 4.470 -0.001 0.000 0.281 360 S C -1.227 172.858 174.600 -0.859 0.000 1.117 360 S CA -0.405 57.420 58.200 -0.625 0.000 0.873 360 S CB 1.499 64.490 63.200 -0.349 0.000 1.108 360 S HN 0.343 nan 8.310 nan 0.000 0.477 361 F N 1.456 121.037 119.950 -0.614 0.000 2.520 361 F HA 0.615 5.142 4.527 -0.000 0.000 0.322 361 F C -0.678 174.637 175.800 -0.809 0.000 1.103 361 F CA -0.604 57.072 58.000 -0.540 0.000 0.926 361 F CB 1.119 39.778 39.000 -0.568 0.000 1.154 361 F HN 0.448 nan 8.300 nan 0.000 0.453 362 Y N 0.120 120.237 120.300 -0.305 0.000 2.499 362 Y HA 0.350 4.900 4.550 -0.000 0.000 0.347 362 Y C -0.031 175.690 175.900 -0.299 0.000 0.987 362 Y CA -1.400 56.257 58.100 -0.738 0.000 1.044 362 Y CB 1.682 38.969 38.460 -1.956 0.000 1.245 362 Y HN 0.671 nan 8.280 nan 0.000 0.461 363 D N 1.597 121.920 120.400 -0.129 0.000 2.705 363 D HA -0.202 4.437 4.640 -0.001 0.000 0.240 363 D C -1.001 175.511 176.300 0.353 0.000 1.137 363 D CA 0.535 54.673 54.000 0.230 0.000 0.677 363 D CB -0.758 40.332 40.800 0.484 0.000 1.049 363 D HN 0.469 nan 8.370 nan 0.000 0.427 364 I N 1.112 121.839 120.570 0.262 0.000 2.436 364 I HA 0.147 4.316 4.170 -0.001 0.000 0.289 364 I C 1.253 177.601 176.117 0.385 0.000 1.083 364 I CA 0.166 61.694 61.300 0.380 0.000 1.372 364 I CB 0.666 38.836 38.000 0.282 0.000 1.408 364 I HN 0.215 nan 8.210 nan 0.000 0.516 365 T N 3.434 118.260 114.554 0.452 0.000 2.912 365 T HA 0.623 4.973 4.350 -0.001 0.000 0.288 365 T C -0.836 174.083 174.700 0.364 0.000 1.030 365 T CA -0.742 61.571 62.100 0.354 0.000 1.020 365 T CB 2.207 71.253 68.868 0.297 0.000 1.056 365 T HN 0.348 nan 8.240 nan 0.000 0.480 366 F N 1.745 121.696 119.950 0.002 0.000 2.539 366 F HA 0.504 5.031 4.527 -0.001 0.000 0.318 366 F C 0.397 176.187 175.800 -0.016 0.000 1.135 366 F CA -0.906 56.941 58.000 -0.255 0.000 0.915 366 F CB 1.409 40.022 39.000 -0.644 0.000 1.176 366 F HN 0.865 nan 8.300 nan 0.000 0.440 367 K N 4.582 124.573 120.400 -0.682 0.000 3.035 367 K HA -0.221 4.099 4.320 -0.001 0.000 0.262 367 K C 0.762 177.288 176.600 -0.123 0.000 1.024 367 K CA 0.907 56.909 56.287 -0.474 0.000 0.748 367 K CB -1.605 30.531 32.500 -0.607 0.000 1.247 367 K HN 1.337 nan 8.250 nan 0.000 0.482 368 G N -0.397 108.383 108.800 -0.034 0.000 2.179 368 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.260 368 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.260 368 G C -0.257 174.706 174.900 0.105 0.000 0.977 368 G CA 0.679 45.807 45.100 0.047 0.000 0.641 368 G HN 0.483 nan 8.290 nan 0.000 0.533 369 E N -0.177 120.113 120.200 0.150 0.000 2.199 369 E HA 0.461 4.811 4.350 -0.001 0.000 0.269 369 E C 0.194 176.928 176.600 0.223 0.000 0.899 369 E CA -1.021 55.494 56.400 0.192 0.000 0.772 369 E CB 1.703 31.548 29.700 0.242 0.000 1.155 369 E HN 0.301 nan 8.360 nan 0.000 0.408 370 R N 3.192 123.817 120.500 0.207 0.000 2.449 370 R HA 0.073 4.412 4.340 -0.001 0.000 0.296 370 R C 0.893 177.286 176.300 0.155 0.000 1.047 370 R CA 0.263 56.487 56.100 0.207 0.000 1.018 370 R CB 0.250 30.680 30.300 0.216 0.000 0.962 370 R HN 0.706 nan 8.270 nan 0.000 0.428 371 I N 1.040 121.662 120.570 0.088 0.000 3.790 371 I HA 0.231 4.400 4.170 -0.001 0.000 0.305 371 I C -0.532 175.528 176.117 -0.095 0.000 1.253 371 I CA -0.249 60.989 61.300 -0.103 0.000 1.355 371 I CB 0.872 38.621 38.000 -0.418 0.000 1.137 371 I HN 0.145 nan 8.210 nan 0.000 0.435 372 V N 1.036 120.952 119.914 0.003 0.000 2.524 372 V HA 0.172 4.291 4.120 -0.001 0.000 0.297 372 V C 0.068 176.193 176.094 0.052 0.000 1.035 372 V CA -0.651 61.645 62.300 -0.008 0.000 0.867 372 V CB 1.590 33.371 31.823 -0.070 0.000 1.004 372 V HN 0.269 nan 8.190 nan 0.000 0.426 373 Y N 3.902 124.192 120.300 -0.016 0.000 2.184 373 Y HA 0.135 4.685 4.550 -0.001 0.000 0.290 373 Y C 1.004 176.870 175.900 -0.057 0.000 1.129 373 Y CA 1.896 60.011 58.100 0.026 0.000 1.144 373 Y CB 0.507 38.988 38.460 0.034 0.000 0.995 373 Y HN 0.658 nan 8.280 nan 0.000 0.513 374 E N 0.479 120.512 120.200 -0.278 0.000 2.290 374 E HA 0.410 4.760 4.350 -0.001 0.000 0.274 374 E C -2.314 174.061 176.600 -0.375 0.000 0.889 374 E CA -0.968 55.073 56.400 -0.599 0.000 0.760 374 E CB 1.568 31.042 29.700 -0.376 0.000 1.206 374 E HN 0.148 nan 8.360 nan 0.000 0.419 375 L N 4.000 124.973 121.223 -0.416 0.000 2.372 375 L HA 0.591 4.931 4.340 -0.001 0.000 0.274 375 L C -1.720 175.053 176.870 -0.162 0.000 0.988 375 L CA -0.203 54.523 54.840 -0.190 0.000 0.833 375 L CB 1.607 43.569 42.059 -0.162 0.000 1.236 375 L HN 0.534 nan 8.230 nan 0.000 0.410 376 S N 4.438 120.090 115.700 -0.081 0.000 2.649 376 S HA 0.497 4.967 4.470 -0.001 0.000 0.274 376 S C -0.840 173.716 174.600 -0.073 0.000 1.176 376 S CA -0.826 57.305 58.200 -0.116 0.000 0.988 376 S CB 1.151 64.219 63.200 -0.221 0.000 1.071 376 S HN 0.785 nan 8.310 nan 0.000 0.478 377 L N 3.072 124.213 121.223 -0.136 0.000 2.540 377 L HA 0.267 4.607 4.340 -0.001 0.000 0.276 377 L C 1.098 177.754 176.870 -0.357 0.000 1.212 377 L CA 0.978 55.551 54.840 -0.445 0.000 0.893 377 L CB 0.276 42.022 42.059 -0.521 0.000 1.138 377 L HN 0.849 nan 8.230 nan 0.000 0.491 378 Q N 2.371 121.937 119.800 -0.391 0.000 2.442 378 Q HA 0.241 4.581 4.340 -0.001 0.000 0.228 378 Q C -0.152 175.643 176.000 -0.341 0.000 0.902 378 Q CA 0.356 55.976 55.803 -0.305 0.000 0.933 378 Q CB 0.820 29.400 28.738 -0.263 0.000 1.071 378 Q HN 0.751 nan 8.270 nan 0.000 0.562 379 E N -0.558 119.391 120.200 -0.420 0.000 2.388 379 E HA 0.493 4.842 4.350 -0.001 0.000 0.281 379 E C -2.101 174.391 176.600 -0.180 0.000 1.046 379 E CA -0.312 55.923 56.400 -0.274 0.000 0.825 379 E CB 1.044 30.570 29.700 -0.290 0.000 1.243 379 E HN -0.055 nan 8.360 nan 0.000 0.438 380 L N 3.580 124.818 121.223 0.025 0.000 2.438 380 L HA 0.642 4.981 4.340 -0.001 0.000 0.270 380 L C -0.576 176.462 176.870 0.279 0.000 0.972 380 L CA -0.571 54.340 54.840 0.118 0.000 0.831 380 L CB 1.661 43.691 42.059 -0.048 0.000 1.273 380 L HN 0.636 nan 8.230 nan 0.000 0.405 381 I N -0.056 120.748 120.570 0.389 0.000 2.797 381 I HA 1.039 5.209 4.170 -0.001 0.000 0.307 381 I C -0.457 175.853 176.117 0.322 0.000 1.033 381 I CA -0.889 60.660 61.300 0.415 0.000 1.071 381 I CB 2.335 40.629 38.000 0.489 0.000 1.255 381 I HN 0.609 nan 8.210 nan 0.000 0.445 382 A N 3.489 126.503 122.820 0.324 0.000 2.411 382 A HA 0.525 4.844 4.320 -0.001 0.000 0.285 382 A C -0.876 176.708 177.584 0.000 0.000 1.129 382 A CA -0.409 51.714 52.037 0.144 0.000 0.736 382 A CB 0.945 20.178 19.000 0.389 0.000 1.186 382 A HN 0.837 nan 8.150 nan 0.000 0.445 383 E N 2.858 122.838 120.200 -0.367 0.000 2.145 383 E HA 0.513 4.863 4.350 -0.001 0.000 0.262 383 E C -1.606 174.710 176.600 -0.474 0.000 0.883 383 E CA -0.384 55.666 56.400 -0.584 0.000 0.748 383 E CB 0.831 29.824 29.700 -1.178 0.000 1.140 383 E HN 0.606 nan 8.360 nan 0.000 0.417 384 Y N 1.332 121.450 120.300 -0.303 0.000 2.320 384 Y HA 0.527 5.076 4.550 -0.000 0.000 0.324 384 Y C 0.920 176.691 175.900 -0.215 0.000 1.190 384 Y CA -0.165 57.823 58.100 -0.187 0.000 1.215 384 Y CB 1.983 40.359 38.460 -0.139 0.000 1.221 384 Y HN 0.553 nan 8.280 nan 0.000 0.486 385 G N 0.758 109.545 108.800 -0.022 0.000 2.461 385 G HA2 0.539 4.499 3.960 -0.001 0.000 0.323 385 G HA3 0.539 4.499 3.960 -0.001 0.000 0.323 385 G C -1.094 173.822 174.900 0.027 0.000 1.229 385 G CA -0.470 44.628 45.100 -0.003 0.000 0.941 385 G HN 0.593 nan 8.290 nan 0.000 0.477 386 S N -0.129 115.338 115.700 -0.389 0.000 2.611 386 S HA 0.388 4.857 4.470 -0.001 0.000 0.268 386 S C -0.009 173.840 174.600 -1.252 0.000 1.156 386 S CA -0.071 57.769 58.200 -0.601 0.000 0.817 386 S CB 1.631 64.687 63.200 -0.241 0.000 1.122 386 S HN 0.663 nan 8.310 nan 0.000 0.466 387 D N 0.836 120.717 120.400 -0.865 0.000 2.347 387 D HA 0.073 4.712 4.640 -0.001 0.000 0.213 387 D C 0.247 176.295 176.300 -0.419 0.000 0.985 387 D CA 0.343 54.005 54.000 -0.563 0.000 0.879 387 D CB -0.438 40.257 40.800 -0.175 0.000 0.919 387 D HN 0.582 nan 8.370 nan 0.000 0.526 388 D N -0.206 119.939 120.400 -0.425 0.000 2.228 388 D HA 0.214 4.853 4.640 -0.001 0.000 0.247 388 D C -2.076 173.832 176.300 -0.654 0.000 0.995 388 D CA -2.156 51.499 54.000 -0.575 0.000 0.903 388 D CB 2.023 42.488 40.800 -0.558 0.000 1.205 388 D HN -0.245 nan 8.370 nan 0.000 0.459 389 P HA 0.056 nan 4.420 nan 0.000 0.245 389 P C 0.445 177.545 177.300 -0.333 0.000 1.212 389 P CA 0.165 62.902 63.100 -0.607 0.000 0.774 389 P CB -0.054 31.320 31.700 -0.543 0.000 0.999 390 F N 1.562 121.264 119.950 -0.414 0.000 2.208 390 F HA 0.110 4.637 4.527 -0.001 0.000 0.282 390 F C 1.880 177.592 175.800 -0.148 0.000 1.071 390 F CA 0.897 58.834 58.000 -0.106 0.000 1.228 390 F CB -0.546 38.537 39.000 0.139 0.000 1.088 390 F HN -0.255 nan 8.300 nan 0.000 0.512 391 N N 0.512 119.220 118.700 0.012 0.000 2.166 391 N HA -0.200 4.540 4.740 -0.001 0.000 0.186 391 N C 1.651 177.018 175.510 -0.238 0.000 1.019 391 N CA 1.251 54.226 53.050 -0.125 0.000 0.856 391 N CB -0.608 37.900 38.487 0.035 0.000 0.993 391 N HN 0.330 nan 8.380 nan 0.000 0.426 392 Q N 0.380 119.960 119.800 -0.367 0.000 2.364 392 Q HA -0.047 4.293 4.340 -0.001 0.000 0.207 392 Q C 0.348 175.990 176.000 -0.595 0.000 0.970 392 Q CA 1.454 56.961 55.803 -0.493 0.000 0.888 392 Q CB -0.226 28.127 28.738 -0.642 0.000 0.951 392 Q HN 0.574 nan 8.270 nan 0.000 0.469 393 H N -1.514 117.339 119.070 -0.361 0.000 2.505 393 H HA 0.301 4.857 4.556 -0.000 0.000 0.289 393 H C -0.591 174.537 175.328 -0.334 0.000 1.052 393 H CA 0.047 55.899 56.048 -0.326 0.000 1.156 393 H CB 0.675 30.216 29.762 -0.368 0.000 1.507 393 H HN -0.052 nan 8.280 nan 0.000 0.548 394 T N 1.359 115.732 114.554 -0.302 0.000 2.733 394 T HA 0.216 4.566 4.350 -0.001 0.000 0.294 394 T C -0.739 173.853 174.700 -0.179 0.000 0.956 394 T CA -0.275 61.566 62.100 -0.432 0.000 0.987 394 T CB 0.284 68.742 68.868 -0.683 0.000 0.920 394 T HN 0.323 nan 8.240 nan 0.000 0.470 395 F N 4.362 124.109 119.950 -0.338 0.000 2.971 395 F HA 0.341 4.868 4.527 -0.000 0.000 0.373 395 F C -0.928 174.836 175.800 -0.061 0.000 1.288 395 F CA -1.256 56.657 58.000 -0.145 0.000 1.204 395 F CB 0.500 39.437 39.000 -0.105 0.000 1.852 395 F HN 0.569 nan 8.300 nan 0.000 0.624 396 Y N 1.751 122.329 120.300 0.463 0.000 2.411 396 Y HA 0.141 4.691 4.550 -0.001 0.000 0.333 396 Y C 0.888 177.028 175.900 0.400 0.000 1.186 396 Y CA -0.082 58.267 58.100 0.414 0.000 1.381 396 Y CB 1.143 39.836 38.460 0.388 0.000 1.273 396 Y HN 0.348 nan 8.280 nan 0.000 0.546 397 S N 2.314 118.317 115.700 0.504 0.000 2.461 397 S HA 0.154 4.623 4.470 -0.001 0.000 0.322 397 S C 0.276 175.110 174.600 0.390 0.000 1.063 397 S CA -0.927 57.480 58.200 0.345 0.000 1.120 397 S CB 0.311 63.614 63.200 0.171 0.000 0.968 397 S HN 0.649 nan 8.310 nan 0.000 0.467 398 D N 3.841 124.449 120.400 0.346 0.000 2.264 398 D HA -0.066 4.574 4.640 -0.001 0.000 0.208 398 D C 1.778 178.218 176.300 0.234 0.000 0.966 398 D CA 1.150 55.350 54.000 0.334 0.000 0.864 398 D CB -0.084 40.841 40.800 0.208 0.000 0.933 398 D HN 0.855 nan 8.370 nan 0.000 0.499 399 I N -0.705 119.934 120.570 0.114 0.000 2.830 399 I HA -0.125 4.045 4.170 -0.001 0.000 0.263 399 I C 2.114 178.231 176.117 -0.000 0.000 1.230 399 I CA 0.800 62.103 61.300 0.006 0.000 1.480 399 I CB -0.270 37.678 38.000 -0.087 0.000 1.095 399 I HN -0.156 nan 8.210 nan 0.000 0.455 400 S N 1.239 116.970 115.700 0.052 0.000 2.368 400 S HA -0.193 4.277 4.470 -0.001 0.000 0.224 400 S C 1.984 176.613 174.600 0.049 0.000 1.029 400 S CA 0.992 59.211 58.200 0.031 0.000 0.988 400 S CB -1.129 62.045 63.200 -0.044 0.000 0.838 400 S HN 0.647 nan 8.310 nan 0.000 0.462 401 Y N 2.525 122.937 120.300 0.187 0.000 2.263 401 Y HA 0.311 4.861 4.550 -0.000 0.000 0.292 401 Y C 1.631 177.610 175.900 0.132 0.000 1.130 401 Y CA 0.548 58.752 58.100 0.173 0.000 1.179 401 Y CB -0.550 37.982 38.460 0.120 0.000 0.998 401 Y HN 0.622 nan 8.280 nan 0.000 0.532 402 G N -0.702 108.215 108.800 0.194 0.000 3.233 402 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.686 402 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.686 402 G C -0.137 174.825 174.900 0.103 0.000 1.153 402 G CA -0.367 44.769 45.100 0.060 0.000 0.853 402 G HN -0.034 nan 8.290 nan 0.000 0.582 403 V N 1.828 121.764 119.914 0.035 0.000 3.125 403 V HA 0.296 4.416 4.120 -0.001 0.000 0.249 403 V C 2.346 178.522 176.094 0.138 0.000 1.113 403 V CA 2.111 64.486 62.300 0.124 0.000 1.106 403 V CB 0.624 32.483 31.823 0.059 0.000 0.768 403 V HN 1.390 nan 8.190 nan 0.000 0.468 404 G N 1.525 110.290 108.800 -0.059 0.000 3.371 404 G HA2 0.012 3.972 3.960 -0.001 0.000 0.248 404 G HA3 0.012 3.972 3.960 -0.001 0.000 0.248 404 G C 0.463 175.524 174.900 0.268 0.000 1.161 404 G CA 0.163 45.235 45.100 -0.046 0.000 0.796 404 G HN 0.621 nan 8.290 nan 0.000 0.539 405 N N -0.354 118.422 118.700 0.126 0.000 2.480 405 N HA 0.222 4.962 4.740 -0.001 0.000 0.281 405 N C 0.589 176.063 175.510 -0.060 0.000 1.381 405 N CA -0.603 52.449 53.050 0.003 0.000 0.903 405 N CB 0.585 39.006 38.487 -0.110 0.000 1.274 405 N HN 0.021 nan 8.380 nan 0.000 0.505 406 R N -0.157 120.372 120.500 0.047 0.000 2.893 406 R HA 0.536 4.876 4.340 -0.001 0.000 0.159 406 R C -0.183 176.005 176.300 -0.188 0.000 1.366 406 R CA -0.289 55.744 56.100 -0.112 0.000 0.929 406 R CB -0.494 29.918 30.300 0.186 0.000 1.796 406 R HN 0.073 nan 8.270 nan 0.000 0.464 407 F N 0.073 120.115 119.950 0.152 0.000 2.509 407 F HA 0.388 4.914 4.527 -0.000 0.000 0.334 407 F C 0.930 176.832 175.800 0.171 0.000 1.060 407 F CA -0.639 57.413 58.000 0.087 0.000 0.997 407 F CB 0.948 39.980 39.000 0.054 0.000 1.271 407 F HN 0.086 nan 8.300 nan 0.000 0.488 408 S N 0.903 116.820 115.700 0.360 0.000 2.593 408 S HA 0.394 4.863 4.470 -0.001 0.000 0.269 408 S C -0.256 174.622 174.600 0.464 0.000 1.334 408 S CA -0.687 57.712 58.200 0.332 0.000 1.015 408 S CB 0.405 63.739 63.200 0.223 0.000 0.912 408 S HN 0.318 nan 8.310 nan 0.000 0.541 409 L N 1.840 123.284 121.223 0.369 0.000 2.397 409 L HA 0.269 4.609 4.340 -0.001 0.000 0.271 409 L C -0.389 176.568 176.870 0.144 0.000 1.148 409 L CA -0.599 54.425 54.840 0.305 0.000 0.825 409 L CB 0.488 42.792 42.059 0.408 0.000 1.117 409 L HN 0.309 nan 8.230 nan 0.000 0.456 410 V N 4.675 124.565 119.914 -0.040 0.000 2.389 410 V HA 0.173 4.293 4.120 -0.001 0.000 0.264 410 V C -1.940 174.166 176.094 0.020 0.000 1.049 410 V CA -1.570 60.555 62.300 -0.291 0.000 0.932 410 V CB 0.669 32.266 31.823 -0.376 0.000 1.011 410 V HN 0.612 nan 8.190 nan 0.000 0.475 411 P HA 0.176 nan 4.420 nan 0.000 0.268 411 P C 1.162 178.525 177.300 0.106 0.000 1.208 411 P CA 1.373 64.478 63.100 0.008 0.000 0.777 411 P CB 0.643 32.208 31.700 -0.226 0.000 0.875 412 G N 0.511 109.306 108.800 -0.009 0.000 2.435 412 G HA2 -0.379 3.581 3.960 -0.001 0.000 0.245 412 G HA3 -0.379 3.581 3.960 -0.001 0.000 0.245 412 G C 0.822 175.576 174.900 -0.242 0.000 1.073 412 G CA 0.526 45.539 45.100 -0.145 0.000 0.638 412 G HN 0.517 nan 8.290 nan 0.000 0.521 413 Y N 0.053 120.376 120.300 0.039 0.000 2.382 413 Y HA 0.263 4.813 4.550 -0.001 0.000 0.292 413 Y C 2.539 178.431 175.900 -0.013 0.000 1.151 413 Y CA 0.955 59.063 58.100 0.012 0.000 1.198 413 Y CB 0.012 38.483 38.460 0.019 0.000 1.195 413 Y HN 0.138 nan 8.280 nan 0.000 0.530 414 D N -0.667 119.841 120.400 0.180 0.000 2.224 414 D HA -0.006 4.634 4.640 -0.001 0.000 0.205 414 D C -0.088 176.235 176.300 0.037 0.000 0.965 414 D CA 0.900 54.967 54.000 0.110 0.000 0.852 414 D CB 0.064 40.954 40.800 0.149 0.000 0.947 414 D HN 0.126 nan 8.370 nan 0.000 0.494 415 c N -0.154 118.448 118.600 0.004 0.000 2.994 415 c HA 0.409 4.979 4.570 -0.001 0.000 0.305 415 c C -2.382 171.524 174.090 -0.306 0.000 1.251 415 c CA -1.639 54.557 56.329 -0.221 0.000 1.478 415 c CB 2.086 44.538 42.510 -0.096 0.000 1.922 415 c HN 0.023 nan 8.230 nan 0.000 0.472 416 P HA 0.140 nan 4.420 nan 0.000 0.269 416 P C 0.316 177.481 177.300 -0.226 0.000 1.217 416 P CA 0.291 63.150 63.100 -0.402 0.000 0.783 416 P CB 0.475 31.872 31.700 -0.504 0.000 0.898 417 A N 1.846 124.569 122.820 -0.162 0.000 2.076 417 A HA -0.154 4.166 4.320 -0.001 0.000 0.220 417 A C 1.668 179.225 177.584 -0.045 0.000 1.160 417 A CA 2.196 54.170 52.037 -0.105 0.000 0.653 417 A CB -1.663 17.264 19.000 -0.122 0.000 0.801 417 A HN 0.649 nan 8.150 nan 0.000 0.455 418 T N -2.459 112.073 114.554 -0.035 0.000 3.148 418 T HA 0.524 4.874 4.350 -0.001 0.000 0.253 418 T C 0.752 175.526 174.700 0.122 0.000 1.134 418 T CA 0.331 62.457 62.100 0.044 0.000 1.051 418 T CB -0.479 68.434 68.868 0.076 0.000 0.959 418 T HN 0.593 nan 8.240 nan 0.000 0.525 419 A N 0.808 123.653 122.820 0.043 0.000 2.386 419 A HA 0.651 4.971 4.320 -0.001 0.000 0.248 419 A C 0.813 178.398 177.584 0.002 0.000 1.082 419 A CA -0.184 51.874 52.037 0.035 0.000 0.789 419 A CB -0.101 18.753 19.000 -0.245 0.000 1.025 419 A HN 0.562 nan 8.150 nan 0.000 0.490 420 G N -0.685 108.198 108.800 0.139 0.000 2.410 420 G HA2 0.563 4.523 3.960 -0.001 0.000 0.330 420 G HA3 0.563 4.523 3.960 -0.001 0.000 0.330 420 G C -1.144 173.540 174.900 -0.360 0.000 1.142 420 G CA -0.328 44.805 45.100 0.055 0.000 0.902 420 G HN 0.543 nan 8.290 nan 0.000 0.491 421 Y N -0.524 119.575 120.300 -0.334 0.000 2.468 421 Y HA 0.654 5.204 4.550 -0.001 0.000 0.342 421 Y C -0.524 174.844 175.900 -0.887 0.000 1.021 421 Y CA -0.539 57.345 58.100 -0.359 0.000 1.079 421 Y CB 2.505 40.863 38.460 -0.171 0.000 1.226 421 Y HN 0.399 nan 8.280 nan 0.000 0.460 422 F N 0.106 119.907 119.950 -0.248 0.000 2.540 422 F HA 0.475 5.001 4.527 -0.001 0.000 0.317 422 F C -0.025 175.573 175.800 -0.336 0.000 1.104 422 F CA -0.961 56.781 58.000 -0.429 0.000 0.913 422 F CB 2.081 40.505 39.000 -0.959 0.000 1.170 422 F HN 0.260 nan 8.300 nan 0.000 0.450 423 T N 1.607 116.142 114.554 -0.031 0.000 2.882 423 T HA 0.582 4.931 4.350 -0.001 0.000 0.287 423 T C 0.109 174.772 174.700 -0.061 0.000 0.992 423 T CA -0.461 61.609 62.100 -0.050 0.000 1.076 423 T CB 1.109 69.982 68.868 0.009 0.000 0.961 423 T HN 0.758 nan 8.240 nan 0.000 0.490 424 T N -0.126 114.295 114.554 -0.222 0.000 2.831 424 T HA 0.824 5.173 4.350 -0.001 0.000 0.287 424 T C -1.600 172.951 174.700 -0.248 0.000 1.070 424 T CA -1.057 60.865 62.100 -0.297 0.000 1.010 424 T CB 1.867 70.179 68.868 -0.926 0.000 1.264 424 T HN 0.642 nan 8.240 nan 0.000 0.532 425 D N -1.319 118.972 120.400 -0.180 0.000 2.599 425 D HA 0.665 5.305 4.640 -0.001 0.000 0.252 425 D C -0.798 175.439 176.300 -0.105 0.000 1.232 425 D CA -0.648 53.226 54.000 -0.210 0.000 0.819 425 D CB 1.600 42.208 40.800 -0.321 0.000 1.401 425 D HN 0.935 nan 8.370 nan 0.000 0.429 426 T N -3.127 111.315 114.554 -0.188 0.000 2.787 426 T HA 0.675 5.024 4.350 -0.001 0.000 0.297 426 T C -1.619 173.122 174.700 0.068 0.000 1.221 426 T CA -1.029 61.070 62.100 -0.001 0.000 1.006 426 T CB 1.304 70.188 68.868 0.027 0.000 1.328 426 T HN 0.543 nan 8.240 nan 0.000 0.509 427 F N 0.448 120.461 119.950 0.104 0.000 2.557 427 F HA 0.701 5.228 4.527 -0.001 0.000 0.316 427 F C -1.116 174.881 175.800 0.328 0.000 1.141 427 F CA -0.472 57.690 58.000 0.270 0.000 0.922 427 F CB 1.662 40.842 39.000 0.300 0.000 1.194 427 F HN 0.787 nan 8.300 nan 0.000 0.443 428 E N 5.251 125.265 120.200 -0.311 0.000 2.290 428 E HA 0.240 4.590 4.350 -0.001 0.000 0.274 428 E C -1.553 174.858 176.600 -0.316 0.000 0.889 428 E CA -1.085 55.197 56.400 -0.196 0.000 0.760 428 E CB 2.007 31.787 29.700 0.134 0.000 1.206 428 E HN 0.672 nan 8.360 nan 0.000 0.419 429 Y N 2.149 122.318 120.300 -0.218 0.000 2.988 429 Y HA -0.305 4.245 4.550 -0.001 0.000 0.193 429 Y C 0.148 175.967 175.900 -0.134 0.000 1.388 429 Y CA 1.118 59.165 58.100 -0.089 0.000 0.904 429 Y CB -1.924 36.528 38.460 -0.013 0.000 1.297 429 Y HN 0.781 nan 8.280 nan 0.000 0.432 430 D N -1.985 118.384 120.400 -0.051 0.000 2.911 430 D HA -0.203 4.437 4.640 -0.001 0.000 0.199 430 D C -0.009 176.337 176.300 0.076 0.000 1.041 430 D CA 1.593 55.700 54.000 0.178 0.000 1.013 430 D CB -0.676 40.250 40.800 0.211 0.000 1.093 430 D HN 0.788 nan 8.370 nan 0.000 0.431 431 E N -0.475 119.564 120.200 -0.269 0.000 2.248 431 E HA 0.511 4.860 4.350 -0.001 0.000 0.267 431 E C -0.692 175.887 176.600 -0.035 0.000 0.877 431 E CA -0.831 55.492 56.400 -0.130 0.000 0.759 431 E CB 2.033 31.548 29.700 -0.308 0.000 1.182 431 E HN 0.015 nan 8.360 nan 0.000 0.418 432 F N 2.622 122.630 119.950 0.096 0.000 2.410 432 F HA 0.355 4.881 4.527 -0.000 0.000 0.349 432 F C -1.220 174.612 175.800 0.053 0.000 1.117 432 F CA -0.504 57.663 58.000 0.278 0.000 1.104 432 F CB 0.494 39.669 39.000 0.292 0.000 1.122 432 F HN 0.367 nan 8.300 nan 0.000 0.483 433 Y N 4.411 124.544 120.300 -0.279 0.000 2.335 433 Y HA 0.302 4.851 4.550 -0.001 0.000 0.338 433 Y C -0.111 175.621 175.900 -0.280 0.000 0.977 433 Y CA -0.869 57.131 58.100 -0.168 0.000 1.114 433 Y CB 1.046 39.432 38.460 -0.124 0.000 1.182 433 Y HN 0.507 nan 8.280 nan 0.000 0.463 434 N N 3.200 121.930 118.700 0.050 0.000 2.419 434 N HA 0.372 5.111 4.740 -0.001 0.000 0.277 434 N C -1.182 174.340 175.510 0.021 0.000 1.006 434 N CA -0.766 52.312 53.050 0.046 0.000 0.923 434 N CB 0.596 39.166 38.487 0.138 0.000 1.140 434 N HN 0.541 nan 8.380 nan 0.000 0.488 435 R N 1.337 121.810 120.500 -0.045 0.000 2.310 435 R HA 0.302 4.641 4.340 -0.001 0.000 0.316 435 R C -0.075 176.180 176.300 -0.076 0.000 1.004 435 R CA -0.784 55.277 56.100 -0.065 0.000 0.900 435 R CB 0.560 30.782 30.300 -0.130 0.000 1.152 435 R HN 0.528 nan 8.270 nan 0.000 0.513 436 T N -0.591 113.944 114.554 -0.032 0.000 2.828 436 T HA 0.212 4.562 4.350 -0.001 0.000 0.290 436 T C 0.728 175.420 174.700 -0.014 0.000 1.019 436 T CA -0.683 61.400 62.100 -0.030 0.000 1.031 436 T CB 0.583 69.438 68.868 -0.022 0.000 1.001 436 T HN 0.407 nan 8.240 nan 0.000 0.531 437 L N 0.656 121.875 121.223 -0.006 0.000 3.737 437 L HA -0.187 4.153 4.340 -0.001 0.000 0.418 437 L C 1.869 178.836 176.870 0.162 0.000 1.216 437 L CA 1.144 56.021 54.840 0.062 0.000 0.915 437 L CB -2.655 39.361 42.059 -0.071 0.000 1.834 437 L HN 0.997 nan 8.230 nan 0.000 0.943 438 S N -1.133 114.596 115.700 0.048 0.000 2.377 438 S HA 0.046 4.516 4.470 -0.001 0.000 0.223 438 S C 0.497 175.245 174.600 0.246 0.000 1.030 438 S CA 1.119 59.312 58.200 -0.011 0.000 0.970 438 S CB 0.210 63.152 63.200 -0.430 0.000 0.830 438 S HN 0.590 nan 8.310 nan 0.000 0.473 439 Y N -0.421 119.995 120.300 0.193 0.000 2.615 439 Y HA 0.709 5.259 4.550 -0.001 0.000 0.341 439 Y C -0.494 175.595 175.900 0.314 0.000 1.089 439 Y CA -1.845 56.444 58.100 0.315 0.000 1.049 439 Y CB 0.555 39.170 38.460 0.258 0.000 1.296 439 Y HN 0.213 nan 8.280 nan 0.000 0.470 440 c N 0.662 119.482 118.600 0.367 0.000 2.779 440 c HA 0.973 5.543 4.570 -0.001 0.000 0.314 440 c C -1.182 172.956 174.090 0.080 0.000 1.231 440 c CA -0.996 55.364 56.329 0.051 0.000 1.652 440 c CB 1.166 43.559 42.510 -0.195 0.000 2.198 440 c HN 0.876 nan 8.230 nan 0.000 0.483 441 V N 2.564 122.432 119.914 -0.076 0.000 2.638 441 V HA 0.835 4.954 4.120 -0.001 0.000 0.306 441 V C -0.534 175.379 176.094 -0.303 0.000 1.052 441 V CA -0.119 61.922 62.300 -0.432 0.000 0.885 441 V CB 1.266 32.513 31.823 -0.960 0.000 0.999 441 V HN 1.044 nan 8.190 nan 0.000 0.424 442 F N 0.756 120.428 119.950 -0.464 0.000 2.654 442 F HA 0.722 5.249 4.527 -0.001 0.000 0.308 442 F C -0.775 174.857 175.800 -0.279 0.000 1.108 442 F CA -1.050 56.823 58.000 -0.212 0.000 0.957 442 F CB 1.763 40.698 39.000 -0.108 0.000 1.309 442 F HN 0.488 nan 8.300 nan 0.000 0.446 443 E N 2.166 122.417 120.200 0.085 0.000 2.174 443 E HA 0.303 4.653 4.350 -0.001 0.000 0.282 443 E C -1.294 175.377 176.600 0.118 0.000 0.992 443 E CA -0.652 55.715 56.400 -0.055 0.000 0.803 443 E CB 0.930 30.723 29.700 0.154 0.000 1.090 443 E HN 0.675 nan 8.360 nan 0.000 0.396 444 N N 2.871 121.572 118.700 0.001 0.000 2.489 444 N HA 0.117 4.857 4.740 -0.001 0.000 0.284 444 N C -1.383 174.151 175.510 0.040 0.000 1.158 444 N CA -0.478 52.630 53.050 0.096 0.000 0.965 444 N CB 1.473 40.003 38.487 0.071 0.000 1.195 444 N HN 0.336 nan 8.380 nan 0.000 0.506 445 Q N 1.598 121.429 119.800 0.053 0.000 2.400 445 Q HA 0.256 4.596 4.340 -0.001 0.000 0.255 445 Q C -1.035 174.970 176.000 0.009 0.000 1.008 445 Q CA -0.492 55.337 55.803 0.043 0.000 0.841 445 Q CB 0.490 29.267 28.738 0.066 0.000 1.220 445 Q HN 0.400 nan 8.270 nan 0.000 0.474 446 E N 2.012 122.179 120.200 -0.056 0.000 2.404 446 E HA -0.028 4.321 4.350 -0.001 0.000 0.261 446 E C 0.031 176.595 176.600 -0.060 0.000 1.074 446 E CA 0.119 56.463 56.400 -0.094 0.000 0.917 446 E CB 0.670 30.188 29.700 -0.304 0.000 0.965 446 E HN 0.751 nan 8.360 nan 0.000 0.433 447 D N 0.151 120.589 120.400 0.064 0.000 2.319 447 D HA -0.061 4.578 4.640 -0.001 0.000 0.230 447 D C 0.043 176.461 176.300 0.197 0.000 1.094 447 D CA 0.043 54.116 54.000 0.121 0.000 0.856 447 D CB -0.625 40.253 40.800 0.130 0.000 0.915 447 D HN 0.365 nan 8.370 nan 0.000 0.517 448 Y N -1.515 118.841 120.300 0.094 0.000 2.553 448 Y HA 0.620 5.170 4.550 -0.001 0.000 0.347 448 Y C -0.036 175.938 175.900 0.124 0.000 1.019 448 Y CA -1.847 56.310 58.100 0.096 0.000 1.032 448 Y CB 0.673 39.182 38.460 0.083 0.000 1.284 448 Y HN -0.094 nan 8.280 nan 0.000 0.466 449 S N 2.206 117.992 115.700 0.143 0.000 2.614 449 S HA 0.172 4.642 4.470 -0.001 0.000 0.265 449 S C 0.662 175.337 174.600 0.126 0.000 1.303 449 S CA -0.471 57.784 58.200 0.092 0.000 1.000 449 S CB 1.301 64.590 63.200 0.148 0.000 0.935 449 S HN 0.941 nan 8.310 nan 0.000 0.551 450 L N 0.700 121.992 121.223 0.115 0.000 2.093 450 L HA 0.298 4.638 4.340 -0.001 0.000 0.208 450 L C 0.112 177.092 176.870 0.184 0.000 1.085 450 L CA 1.654 56.596 54.840 0.169 0.000 0.755 450 L CB -0.985 41.178 42.059 0.173 0.000 0.904 450 L HN 0.877 nan 8.230 nan 0.000 0.435 451 L N -3.330 117.992 121.223 0.165 0.000 2.838 451 L HA 0.630 4.970 4.340 -0.001 0.000 0.266 451 L C -0.886 176.081 176.870 0.162 0.000 1.040 451 L CA -0.981 53.950 54.840 0.152 0.000 0.906 451 L CB 1.457 43.590 42.059 0.124 0.000 1.501 451 L HN 0.189 nan 8.230 nan 0.000 0.407 452 R N -0.330 120.271 120.500 0.168 0.000 2.709 452 R HA 0.768 5.108 4.340 -0.001 0.000 0.270 452 R C -1.962 174.491 176.300 0.254 0.000 1.038 452 R CA -0.856 55.359 56.100 0.192 0.000 0.872 452 R CB 1.351 31.744 30.300 0.154 0.000 1.259 452 R HN 0.991 nan 8.270 nan 0.000 0.473 453 H N -0.190 118.964 119.070 0.141 0.000 3.085 453 H HA 0.451 5.007 4.556 -0.000 0.000 0.356 453 H C -1.745 173.606 175.328 0.039 0.000 1.178 453 H CA -0.137 55.970 56.048 0.099 0.000 1.214 453 H CB 2.864 32.710 29.762 0.139 0.000 1.881 453 H HN 0.715 nan 8.280 nan 0.000 0.538 454 T N 3.290 117.365 114.554 -0.798 0.000 2.786 454 T HA 0.699 5.048 4.350 -0.001 0.000 0.283 454 T C -0.354 173.701 174.700 -1.074 0.000 0.992 454 T CA 0.013 61.686 62.100 -0.712 0.000 0.954 454 T CB 0.998 69.623 68.868 -0.405 0.000 0.934 454 T HN 0.845 nan 8.240 nan 0.000 0.440 455 G N 0.745 108.907 108.800 -1.063 0.000 2.523 455 G HA2 0.600 4.559 3.960 -0.001 0.000 0.291 455 G HA3 0.600 4.559 3.960 -0.001 0.000 0.291 455 G C -0.187 174.358 174.900 -0.592 0.000 1.450 455 G CA 0.086 44.796 45.100 -0.650 0.000 0.790 455 G HN 1.189 nan 8.290 nan 0.000 0.496 456 A N -0.418 122.283 122.820 -0.198 0.000 2.704 456 A HA 0.172 4.492 4.320 -0.001 0.000 0.299 456 A C 1.454 179.064 177.584 0.043 0.000 1.507 456 A CA 1.769 53.799 52.037 -0.011 0.000 0.776 456 A CB -1.907 17.192 19.000 0.164 0.000 1.027 456 A HN 2.515 nan 8.150 nan 0.000 0.475 457 S N -4.010 111.665 115.700 -0.041 0.000 3.490 457 S HA -0.222 4.247 4.470 -0.001 0.000 0.301 457 S C -0.055 174.589 174.600 0.075 0.000 1.233 457 S CA 2.311 60.537 58.200 0.043 0.000 0.914 457 S CB -2.421 60.836 63.200 0.096 0.000 1.047 457 S HN 2.495 nan 8.310 nan 0.000 0.602 458 Y N -2.020 118.272 120.300 -0.013 0.000 2.615 458 Y HA 0.856 5.406 4.550 -0.000 0.000 0.341 458 Y C -0.573 175.329 175.900 0.003 0.000 1.089 458 Y CA -1.278 56.784 58.100 -0.063 0.000 1.049 458 Y CB 1.103 39.515 38.460 -0.081 0.000 1.296 458 Y HN -0.034 nan 8.280 nan 0.000 0.470 459 S N 1.139 116.967 115.700 0.214 0.000 2.594 459 S HA 0.855 5.325 4.470 -0.001 0.000 0.296 459 S C -1.175 173.643 174.600 0.364 0.000 1.124 459 S CA -0.530 57.756 58.200 0.144 0.000 1.011 459 S CB 1.358 64.515 63.200 -0.073 0.000 1.016 459 S HN 1.024 nan 8.310 nan 0.000 0.485 460 A N 3.787 126.884 122.820 0.461 0.000 2.319 460 A HA 0.872 5.191 4.320 -0.001 0.000 0.310 460 A C -0.793 176.977 177.584 0.310 0.000 1.152 460 A CA -0.560 51.761 52.037 0.474 0.000 0.783 460 A CB 0.313 19.613 19.000 0.501 0.000 1.184 460 A HN 0.795 nan 8.150 nan 0.000 0.474 461 I N 1.500 122.237 120.570 0.278 0.000 2.569 461 I HA 0.401 4.571 4.170 -0.001 0.000 0.290 461 I C -0.399 175.854 176.117 0.226 0.000 1.088 461 I CA -0.375 61.059 61.300 0.224 0.000 1.047 461 I CB 2.819 40.937 38.000 0.197 0.000 1.237 461 I HN 0.501 nan 8.210 nan 0.000 0.421 462 T N 4.849 119.517 114.554 0.191 0.000 2.807 462 T HA 0.355 4.705 4.350 -0.001 0.000 0.279 462 T C -0.260 174.545 174.700 0.174 0.000 0.993 462 T CA -0.565 61.641 62.100 0.177 0.000 0.970 462 T CB 1.462 70.413 68.868 0.139 0.000 0.950 462 T HN 0.477 nan 8.240 nan 0.000 0.441 463 Q N 1.814 121.729 119.800 0.191 0.000 2.471 463 Q HA 0.246 4.586 4.340 -0.001 0.000 0.223 463 Q C 0.173 176.255 176.000 0.137 0.000 1.045 463 Q CA -0.423 55.483 55.803 0.171 0.000 0.956 463 Q CB 0.453 29.319 28.738 0.214 0.000 1.249 463 Q HN 0.378 nan 8.270 nan 0.000 0.549 464 N N 1.505 120.251 118.700 0.077 0.000 2.886 464 N HA 0.246 4.986 4.740 -0.001 0.000 0.285 464 N C -2.655 172.887 175.510 0.053 0.000 1.706 464 N CA -1.892 51.186 53.050 0.048 0.000 0.904 464 N CB 0.692 39.078 38.487 -0.168 0.000 1.224 464 N HN 0.266 nan 8.380 nan 0.000 0.488 465 P HA 0.225 nan 4.420 nan 0.000 0.279 465 P C -0.661 176.763 177.300 0.206 0.000 1.239 465 P CA -0.050 63.162 63.100 0.188 0.000 0.789 465 P CB 1.132 33.022 31.700 0.317 0.000 0.933 466 T N 0.195 114.692 114.554 -0.095 0.000 2.900 466 T HA 0.525 4.875 4.350 -0.001 0.000 0.295 466 T C -0.491 173.647 174.700 -0.936 0.000 1.044 466 T CA -0.967 60.838 62.100 -0.491 0.000 0.995 466 T CB 1.205 69.659 68.868 -0.691 0.000 1.072 466 T HN 0.201 nan 8.240 nan 0.000 0.473 467 L N 2.375 122.648 121.223 -1.584 0.000 2.326 467 L HA 0.563 4.902 4.340 -0.001 0.000 0.278 467 L C -0.540 175.790 176.870 -0.900 0.000 1.092 467 L CA -0.173 53.797 54.840 -1.450 0.000 0.810 467 L CB 0.610 41.670 42.059 -1.664 0.000 1.153 467 L HN 0.733 nan 8.230 nan 0.000 0.439 468 N N 3.891 122.001 118.700 -0.984 0.000 2.295 468 N HA 0.465 5.204 4.740 -0.001 0.000 0.293 468 N C -1.659 173.402 175.510 -0.747 0.000 1.040 468 N CA -0.446 52.048 53.050 -0.926 0.000 0.840 468 N CB 2.537 40.098 38.487 -1.544 0.000 1.468 468 N HN 0.293 nan 8.380 nan 0.000 0.478 469 V N 2.099 121.818 119.914 -0.324 0.000 2.444 469 V HA 0.498 4.618 4.120 -0.001 0.000 0.294 469 V C 0.101 176.291 176.094 0.161 0.000 1.022 469 V CA -0.701 61.548 62.300 -0.086 0.000 0.850 469 V CB 1.860 33.704 31.823 0.035 0.000 0.992 469 V HN 0.619 nan 8.190 nan 0.000 0.426 470 R N 4.655 125.307 120.500 0.253 0.000 2.750 470 R HA 0.796 5.136 4.340 -0.001 0.000 0.281 470 R C -1.671 174.965 176.300 0.560 0.000 0.972 470 R CA -0.483 55.835 56.100 0.362 0.000 0.912 470 R CB 2.152 32.627 30.300 0.293 0.000 1.187 470 R HN 0.648 nan 8.270 nan 0.000 0.464 471 F N 2.038 122.240 119.950 0.420 0.000 2.643 471 F HA 0.681 5.207 4.527 -0.000 0.000 0.314 471 F C -1.700 174.387 175.800 0.479 0.000 1.096 471 F CA -1.283 57.004 58.000 0.479 0.000 0.953 471 F CB 1.350 40.712 39.000 0.602 0.000 1.345 471 F HN 0.289 nan 8.300 nan 0.000 0.468 472 I N 2.137 122.909 120.570 0.337 0.000 2.466 472 I HA 0.367 4.537 4.170 -0.001 0.000 0.289 472 I C -0.827 175.509 176.117 0.366 0.000 1.026 472 I CA -0.765 60.635 61.300 0.166 0.000 1.078 472 I CB 2.095 40.208 38.000 0.187 0.000 1.249 472 I HN 0.745 nan 8.210 nan 0.000 0.429 473 S N 4.129 120.024 115.700 0.325 0.000 2.498 473 S HA 0.421 4.891 4.470 -0.001 0.000 0.324 473 S C -0.344 174.505 174.600 0.414 0.000 1.071 473 S CA -0.348 58.148 58.200 0.493 0.000 1.113 473 S CB 0.626 64.199 63.200 0.622 0.000 0.976 473 S HN 0.561 nan 8.310 nan 0.000 0.462 474 T N 6.622 121.429 114.554 0.422 0.000 2.727 474 T HA 0.412 4.762 4.350 -0.001 0.000 0.298 474 T C -0.051 174.872 174.700 0.371 0.000 0.942 474 T CA -0.172 62.135 62.100 0.344 0.000 0.997 474 T CB -0.131 68.928 68.868 0.319 0.000 0.917 474 T HN 0.586 nan 8.240 nan 0.000 0.487 475 I N 3.818 124.557 120.570 0.281 0.000 2.412 475 I HA 0.424 4.594 4.170 -0.001 0.000 0.279 475 I C 1.281 177.460 176.117 0.102 0.000 1.063 475 I CA -0.380 61.046 61.300 0.211 0.000 1.193 475 I CB 0.302 38.447 38.000 0.242 0.000 1.370 475 I HN 0.882 nan 8.210 nan 0.000 0.479 476 G N 6.384 115.253 108.800 0.113 0.000 2.565 476 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.295 476 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.295 476 G C 0.275 175.228 174.900 0.088 0.000 1.165 476 G CA 0.324 45.459 45.100 0.058 0.000 0.977 476 G HN 0.714 nan 8.290 nan 0.000 0.546 480 Y N 1.297 121.590 120.300 -0.011 0.000 2.328 480 Y HA 0.486 5.036 4.550 -0.001 0.000 0.337 480 Y C 0.421 175.953 175.900 -0.613 0.000 1.008 480 Y CA -0.803 57.103 58.100 -0.322 0.000 1.129 480 Y CB 1.148 39.337 38.460 -0.453 0.000 1.185 480 Y HN 0.221 nan 8.280 nan 0.000 0.476 481 N N 4.342 122.730 118.700 -0.521 0.000 2.511 481 N HA 0.285 5.024 4.740 -0.001 0.000 0.249 481 N C -1.817 173.315 175.510 -0.630 0.000 0.971 481 N CA -0.452 52.249 53.050 -0.581 0.000 0.938 481 N CB 0.209 38.197 38.487 -0.832 0.000 1.131 481 N HN 0.400 nan 8.380 nan 0.000 0.505 482 F N 2.832 122.624 119.950 -0.263 0.000 2.420 482 F HA 0.504 5.030 4.527 -0.000 0.000 0.342 482 F C 0.185 175.889 175.800 -0.159 0.000 1.113 482 F CA -0.993 56.871 58.000 -0.226 0.000 1.059 482 F CB 1.489 40.340 39.000 -0.249 0.000 1.128 482 F HN 0.209 nan 8.300 nan 0.000 0.475 483 L N 4.204 125.336 121.223 -0.152 0.000 2.408 483 L HA 0.575 4.915 4.340 -0.001 0.000 0.268 483 L C -1.907 174.630 176.870 -0.554 0.000 0.986 483 L CA -0.878 53.846 54.840 -0.193 0.000 0.820 483 L CB 1.532 43.479 42.059 -0.187 0.000 1.303 483 L HN 0.445 nan 8.230 nan 0.000 0.411 484 Y N 3.813 123.955 120.300 -0.263 0.000 2.326 484 Y HA 0.528 5.078 4.550 -0.000 0.000 0.331 484 Y C -0.302 175.236 175.900 -0.602 0.000 0.962 484 Y CA -0.558 57.222 58.100 -0.532 0.000 1.167 484 Y CB 1.703 39.789 38.460 -0.623 0.000 1.148 484 Y HN 0.424 nan 8.280 nan 0.000 0.463 485 K N 4.410 124.433 120.400 -0.629 0.000 2.413 485 K HA 0.563 4.882 4.320 -0.001 0.000 0.257 485 K C -1.902 174.249 176.600 -0.747 0.000 0.946 485 K CA -0.511 55.414 56.287 -0.604 0.000 0.823 485 K CB 0.752 32.961 32.500 -0.485 0.000 1.109 485 K HN 0.468 nan 8.250 nan 0.000 0.427 486 F N 4.177 123.670 119.950 -0.763 0.000 2.443 486 F HA 0.475 5.002 4.527 -0.001 0.000 0.335 486 F C -0.230 175.354 175.800 -0.360 0.000 1.104 486 F CA -0.604 56.985 58.000 -0.685 0.000 1.013 486 F CB 0.902 39.203 39.000 -1.165 0.000 1.136 486 F HN 0.343 nan 8.300 nan 0.000 0.470 487 F N 1.859 121.995 119.950 0.309 0.000 2.541 487 F HA 0.405 4.931 4.527 -0.001 0.000 0.331 487 F C 1.133 177.333 175.800 0.667 0.000 1.057 487 F CA -0.851 57.419 58.000 0.451 0.000 0.975 487 F CB 1.225 40.367 39.000 0.237 0.000 1.246 487 F HN 0.308 nan 8.300 nan 0.000 0.484 488 L N 0.839 122.470 121.223 0.680 0.000 2.191 488 L HA -0.175 4.164 4.340 -0.001 0.000 0.212 488 L C 1.924 179.020 176.870 0.378 0.000 1.103 488 L CA 1.169 56.279 54.840 0.450 0.000 0.769 488 L CB -0.426 41.802 42.059 0.281 0.000 0.908 488 L HN 0.695 nan 8.230 nan 0.000 0.438 489 D N -0.854 119.722 120.400 0.294 0.000 2.348 489 D HA -0.033 4.606 4.640 -0.001 0.000 0.211 489 D C 1.437 177.676 176.300 -0.103 0.000 0.998 489 D CA 1.047 55.154 54.000 0.177 0.000 0.873 489 D CB 0.563 41.447 40.800 0.139 0.000 0.925 489 D HN 0.289 nan 8.370 nan 0.000 0.524 490 G N -0.242 108.273 108.800 -0.476 0.000 2.192 490 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.193 490 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.193 490 G C 0.218 175.173 174.900 0.091 0.000 0.999 490 G CA 0.075 44.582 45.100 -0.988 0.000 0.659 490 G HN 0.393 nan 8.290 nan 0.000 0.503 491 T N 1.080 115.795 114.554 0.268 0.000 2.889 491 T HA 0.606 4.956 4.350 -0.001 0.000 0.291 491 T C -0.356 174.552 174.700 0.346 0.000 0.995 491 T CA 0.144 62.387 62.100 0.239 0.000 1.092 491 T CB 1.970 70.787 68.868 -0.086 0.000 0.954 491 T HN 0.790 nan 8.240 nan 0.000 0.506 492 L N 2.833 124.113 121.223 0.095 0.000 2.385 492 L HA 0.591 4.931 4.340 -0.001 0.000 0.273 492 L C -0.554 176.140 176.870 -0.294 0.000 0.990 492 L CA -0.519 54.144 54.840 -0.296 0.000 0.821 492 L CB 1.844 43.569 42.059 -0.557 0.000 1.279 492 L HN 0.659 nan 8.230 nan 0.000 0.412 493 E N 4.006 123.997 120.200 -0.347 0.000 2.158 493 E HA 0.572 4.922 4.350 -0.001 0.000 0.271 493 E C -1.754 174.446 176.600 -0.667 0.000 0.911 493 E CA -0.752 55.411 56.400 -0.395 0.000 0.767 493 E CB 1.864 31.494 29.700 -0.116 0.000 1.120 493 E HN 0.558 nan 8.360 nan 0.000 0.405 494 V N 3.832 123.165 119.914 -0.968 0.000 2.435 494 V HA 0.461 4.581 4.120 -0.001 0.000 0.290 494 V C -0.184 175.359 176.094 -0.919 0.000 1.030 494 V CA -0.330 61.267 62.300 -1.172 0.000 0.881 494 V CB 1.251 32.055 31.823 -1.698 0.000 0.983 494 V HN 0.782 nan 8.190 nan 0.000 0.445 495 S N 3.781 119.080 115.700 -0.669 0.000 2.607 495 S HA 0.859 5.329 4.470 -0.001 0.000 0.273 495 S C -1.267 173.226 174.600 -0.178 0.000 1.148 495 S CA -0.773 57.219 58.200 -0.347 0.000 0.833 495 S CB 2.088 65.188 63.200 -0.167 0.000 1.130 495 S HN 0.796 nan 8.310 nan 0.000 0.470 496 V N 0.727 120.604 119.914 -0.061 0.000 2.925 496 V HA 0.786 4.906 4.120 -0.001 0.000 0.311 496 V C -1.550 174.540 176.094 -0.007 0.000 1.104 496 V CA -0.701 61.559 62.300 -0.066 0.000 0.954 496 V CB 2.162 33.998 31.823 0.022 0.000 1.022 496 V HN 1.069 nan 8.190 nan 0.000 0.427 497 R N 3.316 123.758 120.500 -0.097 0.000 2.744 497 R HA 0.872 5.211 4.340 -0.001 0.000 0.279 497 R C -1.032 175.349 176.300 0.136 0.000 0.977 497 R CA -0.391 55.730 56.100 0.037 0.000 0.906 497 R CB 2.248 32.509 30.300 -0.065 0.000 1.197 497 R HN 0.904 nan 8.270 nan 0.000 0.463 498 A N 1.213 124.142 122.820 0.181 0.000 2.356 498 A HA 0.953 5.273 4.320 -0.001 0.000 0.323 498 A C -1.082 176.398 177.584 -0.173 0.000 1.119 498 A CA -0.310 51.731 52.037 0.006 0.000 0.790 498 A CB 1.785 20.641 19.000 -0.240 0.000 1.273 498 A HN 0.812 nan 8.150 nan 0.000 0.452 499 A N -0.172 122.394 122.820 -0.423 0.000 2.594 499 A HA 1.015 5.335 4.320 -0.001 0.000 0.307 499 A C 0.347 177.681 177.584 -0.417 0.000 1.203 499 A CA 0.204 51.857 52.037 -0.640 0.000 0.644 499 A CB 0.171 18.285 19.000 -1.476 0.000 1.349 499 A HN 2.895 nan 8.150 nan 0.000 0.510 500 G N -2.014 106.546 108.800 -0.399 0.000 2.472 500 G HA2 0.175 4.134 3.960 -0.001 0.000 0.205 500 G HA3 0.175 4.134 3.960 -0.001 0.000 0.205 500 G C -0.805 173.951 174.900 -0.239 0.000 1.270 500 G CA -0.181 44.738 45.100 -0.300 0.000 0.974 500 G HN 1.393 nan 8.290 nan 0.000 0.542 501 Y N 0.917 121.191 120.300 -0.043 0.000 2.316 501 Y HA 0.521 5.071 4.550 -0.000 0.000 0.331 501 Y C 1.661 177.599 175.900 0.064 0.000 1.083 501 Y CA -0.148 57.954 58.100 0.004 0.000 1.206 501 Y CB 0.858 39.310 38.460 -0.012 0.000 1.195 501 Y HN 0.645 nan 8.280 nan 0.000 0.497 502 I N 0.478 121.216 120.570 0.279 0.000 2.823 502 I HA 0.214 4.383 4.170 -0.001 0.000 0.290 502 I C -0.041 176.218 176.117 0.237 0.000 1.091 502 I CA -0.811 60.646 61.300 0.261 0.000 1.365 502 I CB 0.833 38.979 38.000 0.243 0.000 1.427 502 I HN 0.590 nan 8.210 nan 0.000 0.583 503 Q N 4.072 124.008 119.800 0.228 0.000 2.472 503 Q HA 0.475 4.815 4.340 -0.001 0.000 0.227 503 Q C -0.248 175.884 176.000 0.221 0.000 1.156 503 Q CA -0.528 55.379 55.803 0.174 0.000 0.924 503 Q CB 0.678 29.437 28.738 0.035 0.000 1.354 503 Q HN 0.879 nan 8.270 nan 0.000 0.525 504 A N 2.706 125.659 122.820 0.220 0.000 2.250 504 A HA 0.836 5.156 4.320 -0.001 0.000 0.283 504 A C 0.285 178.019 177.584 0.250 0.000 1.206 504 A CA 0.188 52.373 52.037 0.247 0.000 0.840 504 A CB 0.698 19.840 19.000 0.238 0.000 1.220 504 A HN 0.767 nan 8.150 nan 0.000 0.505 505 G N -2.641 106.325 108.800 0.277 0.000 2.660 505 G HA2 0.483 4.442 3.960 -0.001 0.000 0.294 505 G HA3 0.483 4.442 3.960 -0.001 0.000 0.294 505 G C -1.242 173.861 174.900 0.338 0.000 1.369 505 G CA -0.533 44.753 45.100 0.310 0.000 0.912 505 G HN 0.736 nan 8.290 nan 0.000 0.479 506 Y N 0.940 121.401 120.300 0.269 0.000 2.610 506 Y HA 0.262 4.811 4.550 -0.000 0.000 0.332 506 Y C 0.290 176.360 175.900 0.284 0.000 1.201 506 Y CA -0.558 57.697 58.100 0.258 0.000 1.465 506 Y CB 0.696 39.282 38.460 0.210 0.000 1.283 506 Y HN 0.519 nan 8.280 nan 0.000 0.563 507 W N 9.681 130.677 121.300 -0.506 0.000 2.342 507 W HA 0.188 4.847 4.660 -0.000 0.000 0.310 507 W C -1.112 175.268 176.519 -0.231 0.000 1.128 507 W CA -0.776 56.406 57.345 -0.271 0.000 1.322 507 W CB 0.597 29.912 29.460 -0.242 0.000 1.251 507 W HN 0.608 nan 8.180 nan 0.000 0.439 508 N N 8.318 126.773 118.700 -0.408 0.000 2.469 508 N HA 0.234 4.974 4.740 -0.001 0.000 0.253 508 N C -1.772 173.309 175.510 -0.714 0.000 0.970 508 N CA -2.187 50.700 53.050 -0.273 0.000 0.940 508 N CB 1.908 40.377 38.487 -0.029 0.000 1.128 508 N HN 0.138 nan 8.380 nan 0.000 0.503 509 P HA -0.091 nan 4.420 nan 0.000 0.219 509 P C 0.527 177.663 177.300 -0.274 0.000 1.146 509 P CA 1.225 64.087 63.100 -0.397 0.000 0.808 509 P CB 0.512 32.226 31.700 0.022 0.000 0.779 510 E N -0.969 119.110 120.200 -0.201 0.000 2.152 510 E HA -0.080 4.270 4.350 -0.001 0.000 0.192 510 E C 1.281 177.795 176.600 -0.144 0.000 0.983 510 E CA 1.784 58.105 56.400 -0.131 0.000 0.818 510 E CB -0.192 29.454 29.700 -0.091 0.000 0.758 510 E HN 0.409 nan 8.360 nan 0.000 0.467 511 T N -4.289 110.144 114.554 -0.202 0.000 3.046 511 T HA 0.172 4.521 4.350 -0.001 0.000 0.270 511 T C 1.655 176.283 174.700 -0.121 0.000 0.920 511 T CA -0.274 61.751 62.100 -0.125 0.000 0.874 511 T CB 0.371 69.191 68.868 -0.080 0.000 1.214 511 T HN -0.151 nan 8.240 nan 0.000 0.536 512 S N 1.524 117.009 115.700 -0.359 0.000 2.496 512 S HA 0.362 4.832 4.470 -0.001 0.000 0.224 512 S C 2.388 176.878 174.600 -0.184 0.000 0.996 512 S CA 0.590 58.605 58.200 -0.308 0.000 0.927 512 S CB -0.305 62.514 63.200 -0.636 0.000 0.774 512 S HN 0.713 nan 8.310 nan 0.000 0.524 513 A N 2.551 125.204 122.820 -0.278 0.000 1.940 513 A HA -0.024 4.296 4.320 -0.001 0.000 0.219 513 A C -0.247 177.326 177.584 -0.019 0.000 1.176 513 A CA 1.201 53.250 52.037 0.019 0.000 0.631 513 A CB -1.722 17.324 19.000 0.077 0.000 0.814 513 A HN 0.392 nan 8.150 nan 0.000 0.446 514 P HA -0.036 nan 4.420 nan 0.000 0.234 514 P C -0.148 176.813 177.300 -0.565 0.000 1.167 514 P CA 0.898 63.735 63.100 -0.439 0.000 0.763 514 P CB -0.093 31.191 31.700 -0.692 0.000 0.835 515 Y N -1.648 118.683 120.300 0.052 0.000 2.588 515 Y HA 0.564 5.114 4.550 -0.000 0.000 0.247 515 Y C 1.148 177.152 175.900 0.173 0.000 1.157 515 Y CA -0.246 57.929 58.100 0.126 0.000 1.215 515 Y CB 0.872 39.398 38.460 0.110 0.000 1.245 515 Y HN -0.154 nan 8.280 nan 0.000 0.534 516 G N -0.113 108.834 108.800 0.244 0.000 2.355 516 G HA2 0.381 4.341 3.960 -0.001 0.000 0.296 516 G HA3 0.381 4.341 3.960 -0.001 0.000 0.296 516 G C -1.841 173.223 174.900 0.273 0.000 1.507 516 G CA -1.113 44.137 45.100 0.250 0.000 0.823 516 G HN -0.015 nan 8.290 nan 0.000 0.569 517 L N 0.562 121.864 121.223 0.131 0.000 2.357 517 L HA 0.492 4.832 4.340 -0.001 0.000 0.273 517 L C 0.855 177.617 176.870 -0.180 0.000 1.080 517 L CA -0.847 53.989 54.840 -0.006 0.000 0.803 517 L CB 1.548 43.571 42.059 -0.059 0.000 1.174 517 L HN 0.559 nan 8.230 nan 0.000 0.443 518 K N 3.274 123.267 120.400 -0.678 0.000 2.349 518 K HA 0.188 4.508 4.320 -0.001 0.000 0.289 518 K C 0.624 176.934 176.600 -0.482 0.000 1.064 518 K CA -0.078 55.605 56.287 -1.006 0.000 0.947 518 K CB 0.427 31.900 32.500 -1.712 0.000 1.007 518 K HN 0.676 nan 8.250 nan 0.000 0.478 519 I N 0.505 120.902 120.570 -0.287 0.000 4.154 519 I HA 0.287 4.456 4.170 -0.001 0.000 0.334 519 I C 0.242 176.283 176.117 -0.127 0.000 1.371 519 I CA -0.578 60.632 61.300 -0.151 0.000 1.110 519 I CB 0.211 38.194 38.000 -0.027 0.000 1.085 519 I HN 0.518 nan 8.210 nan 0.000 0.398 520 H N 0.934 119.795 119.070 -0.348 0.000 2.948 520 H HA 0.161 4.716 4.556 -0.001 0.000 0.315 520 H C -0.423 174.656 175.328 -0.416 0.000 1.360 520 H CA -0.252 55.508 56.048 -0.479 0.000 1.125 520 H CB 1.987 31.264 29.762 -0.810 0.000 1.844 520 H HN -0.082 nan 8.280 nan 0.000 0.529 521 D N 0.661 120.623 120.400 -0.729 0.000 2.192 521 D HA -0.161 4.478 4.640 -0.001 0.000 0.189 521 D C 1.516 177.692 176.300 -0.206 0.000 1.007 521 D CA 2.653 56.409 54.000 -0.407 0.000 0.859 521 D CB 0.085 40.684 40.800 -0.335 0.000 0.936 521 D HN 0.262 nan 8.370 nan 0.000 0.447 522 V N -2.121 117.722 119.914 -0.119 0.000 2.909 522 V HA 0.465 4.585 4.120 -0.001 0.000 0.362 522 V C -0.501 175.497 176.094 -0.161 0.000 1.356 522 V CA -0.783 61.416 62.300 -0.167 0.000 1.195 522 V CB 0.112 31.838 31.823 -0.162 0.000 1.256 522 V HN -0.015 nan 8.190 nan 0.000 0.567 523 L N 1.089 122.283 121.223 -0.049 0.000 2.362 523 L HA 0.834 5.174 4.340 -0.001 0.000 0.275 523 L C -0.102 176.831 176.870 0.105 0.000 0.998 523 L CA -0.112 54.770 54.840 0.070 0.000 0.820 523 L CB 2.152 44.277 42.059 0.110 0.000 1.270 523 L HN 0.296 nan 8.230 nan 0.000 0.415 524 S N 2.252 118.106 115.700 0.256 0.000 2.489 524 S HA 0.542 5.012 4.470 -0.001 0.000 0.291 524 S C 1.168 175.916 174.600 0.246 0.000 1.151 524 S CA -0.036 58.359 58.200 0.325 0.000 1.082 524 S CB 1.423 64.933 63.200 0.517 0.000 1.019 524 S HN 0.902 nan 8.310 nan 0.000 0.492 525 G N 2.308 111.222 108.800 0.189 0.000 2.509 525 G HA2 0.102 4.062 3.960 -0.001 0.000 0.218 525 G HA3 0.102 4.062 3.960 -0.001 0.000 0.218 525 G C 0.686 175.734 174.900 0.246 0.000 1.124 525 G CA 0.637 45.840 45.100 0.172 0.000 0.776 525 G HN 1.285 nan 8.290 nan 0.000 0.547 526 S N -2.021 113.859 115.700 0.300 0.000 3.381 526 S HA -0.186 4.284 4.470 -0.001 0.000 0.636 526 S C -0.513 174.337 174.600 0.418 0.000 2.614 526 S CA 0.747 59.175 58.200 0.381 0.000 2.810 526 S CB -1.074 62.390 63.200 0.440 0.000 0.331 526 S HN 1.088 nan 8.310 nan 0.000 1.788 527 F N 2.812 122.908 119.950 0.242 0.000 2.605 527 F HA 0.586 5.113 4.527 -0.000 0.000 0.320 527 F C -0.328 175.478 175.800 0.011 0.000 1.159 527 F CA -0.326 57.720 58.000 0.077 0.000 0.999 527 F CB 1.385 40.433 39.000 0.080 0.000 1.258 527 F HN 0.886 nan 8.300 nan 0.000 0.464 528 H N 2.484 121.316 119.070 -0.398 0.000 3.037 528 H HA 0.407 4.962 4.556 -0.000 0.000 0.355 528 H C -2.078 172.906 175.328 -0.574 0.000 1.263 528 H CA -1.081 54.505 56.048 -0.769 0.000 1.129 528 H CB 1.880 30.804 29.762 -1.396 0.000 1.861 528 H HN 0.389 nan 8.280 nan 0.000 0.546 529 D N 1.227 121.341 120.400 -0.477 0.000 2.168 529 D HA 0.248 4.887 4.640 -0.001 0.000 0.246 529 D C -0.157 176.017 176.300 -0.211 0.000 1.050 529 D CA -0.204 53.637 54.000 -0.264 0.000 0.857 529 D CB 1.118 41.804 40.800 -0.190 0.000 1.169 529 D HN 0.388 nan 8.370 nan 0.000 0.453 530 H N 0.542 119.650 119.070 0.064 0.000 2.467 530 H HA 0.490 5.045 4.556 -0.001 0.000 0.326 530 H C -0.483 174.911 175.328 0.110 0.000 1.094 530 H CA -0.537 55.602 56.048 0.152 0.000 1.253 530 H CB 1.487 31.386 29.762 0.228 0.000 1.439 530 H HN 0.020 nan 8.280 nan 0.000 0.479 531 V N 4.742 124.821 119.914 0.276 0.000 2.760 531 V HA 0.303 4.422 4.120 -0.001 0.000 0.309 531 V C -0.597 175.757 176.094 0.432 0.000 1.077 531 V CA -0.827 61.659 62.300 0.310 0.000 0.910 531 V CB 2.270 34.236 31.823 0.238 0.000 1.008 531 V HN 0.408 nan 8.190 nan 0.000 0.424 532 L N 3.457 124.898 121.223 0.363 0.000 2.362 532 L HA 0.578 4.918 4.340 -0.001 0.000 0.271 532 L C -0.074 176.814 176.870 0.030 0.000 1.002 532 L CA -0.180 54.754 54.840 0.157 0.000 0.818 532 L CB 1.871 44.004 42.059 0.123 0.000 1.298 532 L HN 0.709 nan 8.230 nan 0.000 0.420 533 N N 1.319 119.731 118.700 -0.480 0.000 2.362 533 N HA 0.408 5.147 4.740 -0.001 0.000 0.298 533 N C -1.801 173.475 175.510 -0.390 0.000 1.048 533 N CA -0.407 52.342 53.050 -0.503 0.000 0.858 533 N CB 1.310 39.000 38.487 -1.328 0.000 1.218 533 N HN 0.429 nan 8.380 nan 0.000 0.488 534 Y N 1.363 121.645 120.300 -0.030 0.000 2.364 534 Y HA 0.259 4.809 4.550 -0.000 0.000 0.340 534 Y C 0.310 176.202 175.900 -0.013 0.000 0.975 534 Y CA -0.790 57.322 58.100 0.020 0.000 1.089 534 Y CB 1.524 40.082 38.460 0.163 0.000 1.192 534 Y HN 0.326 nan 8.280 nan 0.000 0.454 535 K N 3.130 123.550 120.400 0.033 0.000 2.316 535 K HA 0.495 4.815 4.320 -0.001 0.000 0.289 535 K C -1.393 175.080 176.600 -0.211 0.000 1.070 535 K CA -0.233 55.879 56.287 -0.293 0.000 0.928 535 K CB 0.379 32.660 32.500 -0.366 0.000 1.039 535 K HN 0.542 nan 8.250 nan 0.000 0.480 536 V N 4.670 124.426 119.914 -0.263 0.000 2.276 536 V HA 0.046 4.165 4.120 -0.001 0.000 0.268 536 V C -0.475 175.515 176.094 -0.173 0.000 1.032 536 V CA -0.839 61.380 62.300 -0.136 0.000 0.810 536 V CB 0.838 32.626 31.823 -0.059 0.000 1.060 536 V HN 0.741 nan 8.190 nan 0.000 0.446 537 D N 4.422 124.735 120.400 -0.145 0.000 2.558 537 D HA 0.235 4.874 4.640 -0.001 0.000 0.221 537 D C 0.179 176.466 176.300 -0.023 0.000 1.143 537 D CA -0.045 53.915 54.000 -0.067 0.000 1.010 537 D CB 0.163 40.984 40.800 0.036 0.000 1.068 537 D HN 0.405 nan 8.370 nan 0.000 0.511 538 L N 2.045 123.242 121.223 -0.044 0.000 2.453 538 L HA 0.143 4.482 4.340 -0.001 0.000 0.272 538 L C 0.252 177.118 176.870 -0.006 0.000 1.182 538 L CA 0.440 55.253 54.840 -0.046 0.000 0.858 538 L CB 0.600 42.629 42.059 -0.049 0.000 1.120 538 L HN 0.155 nan 8.230 nan 0.000 0.474 539 D N 2.517 122.919 120.400 0.003 0.000 2.378 539 D HA 0.225 4.864 4.640 -0.001 0.000 0.265 539 D C -0.811 175.523 176.300 0.057 0.000 1.229 539 D CA -0.154 53.868 54.000 0.038 0.000 0.914 539 D CB 1.506 42.344 40.800 0.062 0.000 1.140 539 D HN -0.013 nan 8.370 nan 0.000 0.516 540 V N 1.042 121.003 119.914 0.078 0.000 2.389 540 V HA 0.469 4.588 4.120 -0.001 0.000 0.264 540 V C 1.376 177.592 176.094 0.204 0.000 1.049 540 V CA -0.308 62.092 62.300 0.166 0.000 0.932 540 V CB 0.894 32.841 31.823 0.205 0.000 1.011 540 V HN 0.769 nan 8.190 nan 0.000 0.475 541 G N 3.876 112.828 108.800 0.252 0.000 2.350 541 G HA2 0.220 4.180 3.960 -0.001 0.000 0.298 541 G HA3 0.220 4.180 3.960 -0.001 0.000 0.298 541 G C 0.654 175.612 174.900 0.097 0.000 1.037 541 G CA 0.316 45.502 45.100 0.144 0.000 1.074 541 G HN 2.205 nan 8.290 nan 0.000 0.511 542 G N -1.768 107.090 108.800 0.096 0.000 2.603 542 G HA2 0.309 4.269 3.960 -0.001 0.000 0.686 542 G HA3 0.309 4.269 3.960 -0.001 0.000 0.686 542 G C 0.910 175.842 174.900 0.054 0.000 1.286 542 G CA 0.648 45.788 45.100 0.067 0.000 0.871 542 G HN 1.906 nan 8.290 nan 0.000 0.568 543 T N -1.816 112.756 114.554 0.028 0.000 2.904 543 T HA 0.091 4.440 4.350 -0.001 0.000 0.267 543 T C 1.266 175.975 174.700 0.016 0.000 1.059 543 T CA 1.769 63.872 62.100 0.004 0.000 1.137 543 T CB 0.035 68.880 68.868 -0.038 0.000 0.879 543 T HN 0.657 nan 8.240 nan 0.000 0.467 544 K N 2.224 122.639 120.400 0.025 0.000 2.338 544 K HA 0.207 4.527 4.320 -0.001 0.000 0.290 544 K C -0.638 175.988 176.600 0.043 0.000 1.069 544 K CA -0.082 56.223 56.287 0.031 0.000 0.941 544 K CB 0.005 32.522 32.500 0.028 0.000 1.023 544 K HN 0.468 nan 8.250 nan 0.000 0.477 545 N N 2.737 121.464 118.700 0.046 0.000 2.761 545 N HA 0.511 5.251 4.740 -0.001 0.000 0.283 545 N C -1.243 174.298 175.510 0.052 0.000 1.377 545 N CA -1.072 52.011 53.050 0.055 0.000 0.791 545 N CB 1.613 40.136 38.487 0.060 0.000 1.540 545 N HN 0.319 nan 8.380 nan 0.000 0.539 546 R N 0.034 120.567 120.500 0.054 0.000 2.808 546 R HA 0.736 5.075 4.340 -0.001 0.000 0.272 546 R C -1.483 174.844 176.300 0.044 0.000 0.995 546 R CA -0.894 55.233 56.100 0.044 0.000 0.917 546 R CB 2.090 32.412 30.300 0.036 0.000 1.217 546 R HN 0.532 nan 8.270 nan 0.000 0.471 547 A N 0.985 123.824 122.820 0.032 0.000 2.342 547 A HA 0.696 5.015 4.320 -0.001 0.000 0.323 547 A C -0.565 177.018 177.584 -0.002 0.000 1.125 547 A CA -0.536 51.516 52.037 0.025 0.000 0.785 547 A CB 1.389 20.407 19.000 0.031 0.000 1.221 547 A HN 0.752 nan 8.150 nan 0.000 0.463 548 S N 1.163 116.850 115.700 -0.022 0.000 2.651 548 S HA 0.847 5.316 4.470 -0.001 0.000 0.279 548 S C -1.036 173.513 174.600 -0.084 0.000 1.148 548 S CA -0.834 57.321 58.200 -0.074 0.000 0.837 548 S CB 1.664 64.793 63.200 -0.118 0.000 1.138 548 S HN 1.035 nan 8.310 nan 0.000 0.478 549 K N 0.192 120.513 120.400 -0.130 0.000 2.468 549 K HA 0.517 4.837 4.320 -0.001 0.000 0.252 549 K C -2.028 174.471 176.600 -0.169 0.000 0.932 549 K CA -0.827 55.412 56.287 -0.080 0.000 0.794 549 K CB 1.165 33.654 32.500 -0.018 0.000 1.241 549 K HN 0.612 nan 8.250 nan 0.000 0.428 550 Y N 1.607 121.887 120.300 -0.033 0.000 2.425 550 Y HA 0.197 4.747 4.550 -0.000 0.000 0.347 550 Y C -0.065 175.844 175.900 0.016 0.000 0.976 550 Y CA -0.605 57.495 58.100 0.000 0.000 1.190 550 Y CB 1.430 39.896 38.460 0.010 0.000 1.136 550 Y HN 0.282 nan 8.280 nan 0.000 0.517 551 V N 6.067 126.048 119.914 0.111 0.000 2.498 551 V HA 0.255 4.374 4.120 -0.001 0.000 0.279 551 V C 0.091 176.248 176.094 0.105 0.000 1.048 551 V CA -0.581 61.771 62.300 0.086 0.000 0.967 551 V CB 0.947 32.796 31.823 0.043 0.000 0.988 551 V HN 0.719 nan 8.190 nan 0.000 0.473 552 M N 6.650 126.305 119.600 0.091 0.000 2.268 552 M HA 0.578 5.058 4.480 -0.001 0.000 0.344 552 M C -0.366 175.972 176.300 0.063 0.000 1.106 552 M CA -0.339 55.010 55.300 0.082 0.000 1.010 552 M CB 1.487 34.132 32.600 0.076 0.000 1.649 552 M HN 0.719 nan 8.290 nan 0.000 0.443 553 K N 1.294 121.729 120.400 0.059 0.000 2.536 553 K HA 0.507 4.827 4.320 -0.001 0.000 0.269 553 K C -1.779 174.849 176.600 0.046 0.000 0.965 553 K CA -1.109 55.206 56.287 0.047 0.000 0.860 553 K CB 1.941 34.465 32.500 0.040 0.000 1.423 553 K HN 0.672 nan 8.250 nan 0.000 0.438 554 D N 1.017 121.441 120.400 0.040 0.000 2.225 554 D HA 0.387 5.027 4.640 -0.001 0.000 0.249 554 D C -0.126 176.193 176.300 0.033 0.000 1.052 554 D CA -0.521 53.504 54.000 0.042 0.000 0.909 554 D CB 1.781 42.605 40.800 0.041 0.000 1.186 554 D HN 0.460 nan 8.370 nan 0.000 0.431 555 V N -1.796 118.138 119.914 0.034 0.000 3.120 555 V HA 0.461 4.580 4.120 -0.001 0.000 0.303 555 V C -1.422 174.680 176.094 0.012 0.000 1.238 555 V CA -1.098 61.212 62.300 0.017 0.000 1.008 555 V CB 2.076 33.904 31.823 0.009 0.000 1.064 555 V HN 0.438 nan 8.190 nan 0.000 0.434 556 D N 2.220 122.617 120.400 -0.006 0.000 2.198 556 D HA 0.713 5.352 4.640 -0.001 0.000 0.245 556 D C -0.004 176.257 176.300 -0.065 0.000 1.079 556 D CA 0.121 54.112 54.000 -0.016 0.000 0.854 556 D CB 1.898 42.688 40.800 -0.016 0.000 1.148 556 D HN 1.125 nan 8.370 nan 0.000 0.456 557 V N -0.651 119.194 119.914 -0.114 0.000 3.130 557 V HA 0.647 4.767 4.120 -0.001 0.000 0.310 557 V C -0.684 175.218 176.094 -0.320 0.000 1.158 557 V CA -0.953 61.194 62.300 -0.256 0.000 1.029 557 V CB 2.477 34.042 31.823 -0.431 0.000 1.057 557 V HN 0.442 nan 8.190 nan 0.000 0.436 558 E N 0.775 120.753 120.200 -0.371 0.000 2.212 558 E HA 0.535 4.885 4.350 -0.001 0.000 0.268 558 E C -1.925 174.338 176.600 -0.561 0.000 0.902 558 E CA -0.733 55.457 56.400 -0.350 0.000 0.779 558 E CB 2.123 31.721 29.700 -0.169 0.000 1.172 558 E HN 0.768 nan 8.360 nan 0.000 0.409 559 Y N 2.964 122.993 120.300 -0.452 0.000 2.387 559 Y HA 0.267 4.817 4.550 -0.000 0.000 0.330 559 Y C -1.275 174.254 175.900 -0.619 0.000 1.133 559 Y CA -1.897 55.758 58.100 -0.742 0.000 1.152 559 Y CB 1.304 38.748 38.460 -1.693 0.000 1.215 559 Y HN 0.512 nan 8.280 nan 0.000 0.466 560 P HA -0.185 nan 4.420 nan 0.000 0.219 560 P C 0.836 178.120 177.300 -0.028 0.000 1.146 560 P CA 1.761 64.800 63.100 -0.103 0.000 0.808 560 P CB 0.035 31.736 31.700 0.003 0.000 0.779 561 W N -0.788 120.567 121.300 0.091 0.000 3.256 561 W HA 0.591 5.250 4.660 -0.000 0.000 0.269 561 W C -0.205 176.362 176.519 0.079 0.000 1.310 561 W CA 0.043 57.419 57.345 0.053 0.000 1.673 561 W CB -0.306 29.153 29.460 -0.001 0.000 1.115 561 W HN -0.073 nan 8.180 nan 0.000 0.686 562 A N 1.766 124.598 122.820 0.020 0.000 3.300 562 A HA 0.478 4.798 4.320 -0.001 0.000 0.300 562 A C -2.799 174.805 177.584 0.033 0.000 1.099 562 A CA -1.069 51.048 52.037 0.133 0.000 0.846 562 A CB 0.045 19.209 19.000 0.274 0.000 1.255 562 A HN -0.237 nan 8.150 nan 0.000 0.519 563 P HA 0.323 nan 4.420 nan 0.000 0.265 563 P C 1.258 178.564 177.300 0.009 0.000 1.193 563 P CA 2.086 65.186 63.100 -0.000 0.000 0.765 563 P CB 0.910 32.618 31.700 0.014 0.000 0.823 564 G N 1.823 110.617 108.800 -0.010 0.000 2.205 564 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.261 564 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.261 564 G C 0.182 175.079 174.900 -0.005 0.000 0.980 564 G CA 0.200 45.296 45.100 -0.008 0.000 0.632 564 G HN 0.598 nan 8.290 nan 0.000 0.533 565 T N 1.724 116.288 114.554 0.017 0.000 2.738 565 T HA 0.533 4.882 4.350 -0.001 0.000 0.298 565 T C 0.389 175.102 174.700 0.023 0.000 0.962 565 T CA -0.300 61.809 62.100 0.014 0.000 0.972 565 T CB 2.103 71.023 68.868 0.086 0.000 0.928 565 T HN 0.389 nan 8.240 nan 0.000 0.474 566 V N 4.839 124.725 119.914 -0.047 0.000 2.530 566 V HA 0.289 4.409 4.120 -0.001 0.000 0.282 566 V C -0.612 175.450 176.094 -0.054 0.000 1.048 566 V CA -0.469 61.816 62.300 -0.025 0.000 0.997 566 V CB -0.009 31.789 31.823 -0.042 0.000 0.987 566 V HN 0.719 nan 8.190 nan 0.000 0.477 567 Y N 2.784 123.061 120.300 -0.039 0.000 2.393 567 Y HA 0.332 4.882 4.550 -0.001 0.000 0.341 567 Y C 0.580 176.487 175.900 0.012 0.000 0.988 567 Y CA -0.719 57.405 58.100 0.041 0.000 1.078 567 Y CB 1.460 40.024 38.460 0.174 0.000 1.203 567 Y HN 0.612 nan 8.280 nan 0.000 0.453 568 N N 2.080 120.880 118.700 0.167 0.000 2.414 568 N HA 0.228 4.967 4.740 -0.001 0.000 0.256 568 N C -0.657 174.950 175.510 0.161 0.000 1.029 568 N CA 0.262 53.380 53.050 0.114 0.000 0.948 568 N CB 0.803 39.331 38.487 0.068 0.000 1.102 568 N HN 0.778 nan 8.380 nan 0.000 0.496 569 T N 1.602 116.237 114.554 0.136 0.000 2.604 569 T HA 0.478 4.828 4.350 -0.001 0.000 0.267 569 T C -1.514 173.245 174.700 0.097 0.000 0.923 569 T CA -0.560 61.627 62.100 0.145 0.000 1.077 569 T CB 1.013 70.003 68.868 0.204 0.000 1.392 569 T HN 0.608 nan 8.240 nan 0.000 0.531 570 K N 0.820 121.277 120.400 0.096 0.000 2.469 570 K HA 0.748 5.067 4.320 -0.001 0.000 0.254 570 K C -1.212 175.434 176.600 0.077 0.000 0.939 570 K CA -0.962 55.370 56.287 0.075 0.000 0.812 570 K CB 2.337 34.877 32.500 0.067 0.000 1.301 570 K HN 0.578 nan 8.250 nan 0.000 0.433 571 Q N 1.194 121.037 119.800 0.071 0.000 2.544 571 Q HA 0.543 4.883 4.340 -0.001 0.000 0.291 571 Q C -0.874 175.179 176.000 0.089 0.000 1.068 571 Q CA -1.200 54.650 55.803 0.078 0.000 0.785 571 Q CB 2.646 31.424 28.738 0.067 0.000 1.481 571 Q HN 0.748 nan 8.270 nan 0.000 0.430 572 I N -1.919 118.718 120.570 0.113 0.000 2.648 572 I HA 0.957 5.127 4.170 -0.001 0.000 0.304 572 I C -0.934 175.284 176.117 0.168 0.000 1.009 572 I CA -0.977 60.422 61.300 0.164 0.000 1.114 572 I CB 2.075 40.207 38.000 0.220 0.000 1.293 572 I HN 0.520 nan 8.210 nan 0.000 0.449 573 A N 4.114 127.028 122.820 0.157 0.000 2.408 573 A HA 0.618 4.938 4.320 -0.001 0.000 0.295 573 A C -0.680 176.888 177.584 -0.025 0.000 1.040 573 A CA -0.757 51.328 52.037 0.081 0.000 0.707 573 A CB 1.398 20.422 19.000 0.040 0.000 1.235 573 A HN 0.859 nan 8.150 nan 0.000 0.418 574 R N 2.136 122.541 120.500 -0.158 0.000 2.298 574 R HA 0.384 4.724 4.340 -0.001 0.000 0.310 574 R C -0.837 175.322 176.300 -0.235 0.000 1.068 574 R CA 0.177 55.997 56.100 -0.467 0.000 0.957 574 R CB 0.477 30.413 30.300 -0.606 0.000 1.003 574 R HN 0.759 nan 8.270 nan 0.000 0.454 575 E N 3.436 123.505 120.200 -0.217 0.000 2.210 575 E HA 0.220 4.569 4.350 -0.001 0.000 0.266 575 E C -0.958 175.576 176.600 -0.110 0.000 0.883 575 E CA -0.973 55.357 56.400 -0.117 0.000 0.761 575 E CB 2.592 32.249 29.700 -0.072 0.000 1.156 575 E HN 0.294 nan 8.360 nan 0.000 0.412 576 V N 4.042 123.913 119.914 -0.072 0.000 2.546 576 V HA 0.135 4.255 4.120 -0.001 0.000 0.284 576 V C 0.160 176.238 176.094 -0.027 0.000 1.050 576 V CA -0.479 61.792 62.300 -0.048 0.000 0.981 576 V CB 0.708 32.515 31.823 -0.027 0.000 0.990 576 V HN 0.565 nan 8.190 nan 0.000 0.474 577 L N 5.082 126.295 121.223 -0.016 0.000 2.312 577 L HA 0.287 4.627 4.340 -0.001 0.000 0.287 577 L C 1.353 178.231 176.870 0.014 0.000 1.091 577 L CA -0.135 54.704 54.840 -0.001 0.000 0.846 577 L CB 0.421 42.481 42.059 0.003 0.000 1.219 577 L HN 0.671 nan 8.230 nan 0.000 0.439 578 E N 1.925 122.133 120.200 0.014 0.000 2.158 578 E HA 0.001 4.351 4.350 -0.001 0.000 0.191 578 E C 0.079 176.698 176.600 0.032 0.000 0.982 578 E CA 0.992 57.405 56.400 0.020 0.000 0.823 578 E CB 0.323 30.032 29.700 0.016 0.000 0.766 578 E HN 0.458 nan 8.360 nan 0.000 0.468 579 K N 0.016 120.439 120.400 0.038 0.000 2.509 579 K HA 0.259 4.579 4.320 -0.001 0.000 0.266 579 K C -0.855 175.785 176.600 0.067 0.000 0.987 579 K CA -0.543 55.774 56.287 0.050 0.000 0.868 579 K CB 1.910 34.437 32.500 0.046 0.000 1.421 579 K HN -0.177 nan 8.250 nan 0.000 0.444 580 E N 1.180 121.429 120.200 0.082 0.000 2.452 580 E HA -0.043 4.306 4.350 -0.001 0.000 0.261 580 E C -0.726 175.945 176.600 0.118 0.000 0.987 580 E CA 0.469 56.934 56.400 0.110 0.000 0.926 580 E CB 0.411 30.178 29.700 0.112 0.000 0.934 580 E HN 0.274 nan 8.360 nan 0.000 0.452 581 D N 2.817 123.298 120.400 0.136 0.000 2.381 581 D HA 0.044 4.684 4.640 -0.001 0.000 0.235 581 D C -0.022 176.402 176.300 0.208 0.000 1.068 581 D CA -0.580 53.504 54.000 0.140 0.000 0.832 581 D CB 0.621 41.466 40.800 0.075 0.000 1.101 581 D HN 0.339 nan 8.370 nan 0.000 0.515 582 F N 4.218 124.229 119.950 0.101 0.000 2.192 582 F HA -0.165 4.362 4.527 -0.001 0.000 0.301 582 F C 1.357 177.277 175.800 0.201 0.000 1.079 582 F CA 1.548 59.625 58.000 0.127 0.000 1.303 582 F CB 0.005 39.041 39.000 0.059 0.000 1.024 582 F HN 0.450 nan 8.300 nan 0.000 0.494 583 N N 0.032 118.856 118.700 0.206 0.000 2.515 583 N HA 0.169 4.909 4.740 -0.001 0.000 0.185 583 N C 0.988 176.418 175.510 -0.132 0.000 1.109 583 N CA 0.244 53.339 53.050 0.075 0.000 0.903 583 N CB -0.163 38.356 38.487 0.053 0.000 0.969 583 N HN 0.448 nan 8.380 nan 0.000 0.450 584 G N 1.182 109.879 108.800 -0.172 0.000 2.692 584 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.248 584 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.248 584 G C -0.540 174.076 174.900 -0.473 0.000 1.340 584 G CA -0.477 44.192 45.100 -0.718 0.000 0.896 584 G HN 0.140 nan 8.290 nan 0.000 0.570 585 I N 1.006 121.227 120.570 -0.582 0.000 2.498 585 I HA 0.357 4.527 4.170 -0.001 0.000 0.290 585 I C -0.605 175.196 176.117 -0.526 0.000 1.032 585 I CA -0.925 60.113 61.300 -0.437 0.000 1.073 585 I CB 2.139 39.894 38.000 -0.409 0.000 1.251 585 I HN 0.400 nan 8.210 nan 0.000 0.426 586 N N 4.479 122.959 118.700 -0.366 0.000 2.361 586 N HA 0.317 5.057 4.740 -0.001 0.000 0.302 586 N C -1.195 174.181 175.510 -0.222 0.000 1.074 586 N CA -0.542 52.325 53.050 -0.304 0.000 0.850 586 N CB 1.468 39.904 38.487 -0.085 0.000 1.228 586 N HN 0.409 nan 8.380 nan 0.000 0.491 587 W N 2.515 123.816 121.300 0.001 0.000 2.343 587 W HA 0.097 4.756 4.660 -0.000 0.000 0.337 587 W C -1.214 175.307 176.519 0.003 0.000 1.320 587 W CA -0.965 56.377 57.345 -0.004 0.000 1.290 587 W CB -0.241 29.216 29.460 -0.003 0.000 1.206 587 W HN 0.282 nan 8.180 nan 0.000 0.565 588 P HA -0.054 nan 4.420 nan 0.000 0.269 588 P C -0.420 176.953 177.300 0.122 0.000 1.209 588 P CA -0.133 63.054 63.100 0.145 0.000 0.776 588 P CB 0.699 32.476 31.700 0.127 0.000 0.876 589 E N 2.095 122.345 120.200 0.084 0.000 2.414 589 E HA -0.120 4.230 4.350 -0.001 0.000 0.263 589 E C 0.497 177.131 176.600 0.056 0.000 1.000 589 E CA 0.041 56.480 56.400 0.066 0.000 0.914 589 E CB -0.154 29.576 29.700 0.049 0.000 0.948 589 E HN 0.476 nan 8.360 nan 0.000 0.444 590 N N 3.016 121.743 118.700 0.045 0.000 2.714 590 N HA -0.225 4.515 4.740 -0.001 0.000 0.250 590 N C 0.410 175.939 175.510 0.030 0.000 1.117 590 N CA 1.719 54.788 53.050 0.032 0.000 0.719 590 N CB -1.374 37.130 38.487 0.029 0.000 1.081 590 N HN 0.872 nan 8.380 nan 0.000 0.557 591 G N -0.797 108.026 108.800 0.039 0.000 2.203 591 G HA2 -0.381 3.579 3.960 -0.001 0.000 0.263 591 G HA3 -0.381 3.579 3.960 -0.001 0.000 0.263 591 G C 0.123 175.049 174.900 0.043 0.000 1.012 591 G CA 0.615 45.732 45.100 0.029 0.000 0.749 591 G HN 0.670 nan 8.290 nan 0.000 0.512 592 Q N 0.167 120.002 119.800 0.057 0.000 2.903 592 Q HA 0.445 4.785 4.340 -0.001 0.000 0.295 592 Q C 0.942 176.989 176.000 0.077 0.000 1.157 592 Q CA 0.436 56.276 55.803 0.060 0.000 0.930 592 Q CB -0.006 28.764 28.738 0.054 0.000 1.571 592 Q HN 0.788 nan 8.270 nan 0.000 0.440 593 G N 0.173 109.024 108.800 0.085 0.000 2.579 593 G HA2 0.502 4.462 3.960 -0.001 0.000 0.292 593 G HA3 0.502 4.462 3.960 -0.001 0.000 0.292 593 G C -1.600 173.359 174.900 0.097 0.000 1.484 593 G CA -0.732 44.430 45.100 0.104 0.000 0.813 593 G HN 0.191 nan 8.290 nan 0.000 0.515 594 I N 0.681 121.312 120.570 0.101 0.000 2.466 594 I HA 0.384 4.553 4.170 -0.001 0.000 0.289 594 I C -0.898 175.245 176.117 0.043 0.000 1.026 594 I CA -0.861 60.463 61.300 0.041 0.000 1.078 594 I CB 2.104 40.087 38.000 -0.029 0.000 1.249 594 I HN 0.390 nan 8.210 nan 0.000 0.429 595 L N 8.216 129.477 121.223 0.064 0.000 2.272 595 L HA 0.607 4.947 4.340 -0.001 0.000 0.289 595 L C -1.211 175.660 176.870 0.002 0.000 1.032 595 L CA 0.045 54.929 54.840 0.074 0.000 0.810 595 L CB 0.807 42.990 42.059 0.207 0.000 1.205 595 L HN 0.437 nan 8.230 nan 0.000 0.422 596 L N 5.598 126.806 121.223 -0.025 0.000 2.354 596 L HA 0.556 4.896 4.340 -0.001 0.000 0.269 596 L C -0.826 176.064 176.870 0.033 0.000 1.005 596 L CA -0.914 53.908 54.840 -0.029 0.000 0.819 596 L CB 2.170 44.184 42.059 -0.076 0.000 1.311 596 L HN 0.411 nan 8.230 nan 0.000 0.423 597 I N 2.104 122.719 120.570 0.075 0.000 2.330 597 I HA 0.324 4.494 4.170 -0.001 0.000 0.289 597 I C 0.041 176.231 176.117 0.123 0.000 1.001 597 I CA -0.297 61.056 61.300 0.087 0.000 1.193 597 I CB 1.280 39.330 38.000 0.084 0.000 1.345 597 I HN 0.654 nan 8.210 nan 0.000 0.461 598 E N 3.173 123.437 120.200 0.107 0.000 2.212 598 E HA 0.305 4.654 4.350 -0.001 0.000 0.270 598 E C -0.308 176.363 176.600 0.119 0.000 0.956 598 E CA -0.668 55.811 56.400 0.132 0.000 0.825 598 E CB 1.957 31.723 29.700 0.111 0.000 1.167 598 E HN 0.478 nan 8.360 nan 0.000 0.400 599 S N 0.922 116.703 115.700 0.134 0.000 2.549 599 S HA 0.131 4.601 4.470 -0.001 0.000 0.283 599 S C 1.018 175.664 174.600 0.077 0.000 1.320 599 S CA 0.188 58.449 58.200 0.103 0.000 1.058 599 S CB 0.874 64.132 63.200 0.097 0.000 0.882 599 S HN 0.628 nan 8.310 nan 0.000 0.498 600 A N 4.344 127.200 122.820 0.061 0.000 1.930 600 A HA -0.012 4.308 4.320 -0.001 0.000 0.217 600 A C 1.872 179.482 177.584 0.043 0.000 1.175 600 A CA 1.242 53.308 52.037 0.049 0.000 0.627 600 A CB -0.268 18.756 19.000 0.041 0.000 0.815 600 A HN 0.871 nan 8.150 nan 0.000 0.443 601 E N -0.402 119.821 120.200 0.040 0.000 2.421 601 E HA 0.096 4.446 4.350 -0.001 0.000 0.209 601 E C -0.116 176.500 176.600 0.025 0.000 0.871 601 E CA -0.044 56.374 56.400 0.030 0.000 1.064 601 E CB 0.020 29.734 29.700 0.023 0.000 1.075 601 E HN 0.703 nan 8.360 nan 0.000 0.513 602 E N 2.134 122.349 120.200 0.026 0.000 2.338 602 E HA 0.216 4.566 4.350 -0.001 0.000 0.272 602 E C -0.045 176.561 176.600 0.010 0.000 1.029 602 E CA 0.109 56.513 56.400 0.008 0.000 0.872 602 E CB 0.937 30.635 29.700 -0.003 0.000 1.015 602 E HN 0.025 nan 8.360 nan 0.000 0.417 603 T N -0.083 114.465 114.554 -0.009 0.000 2.916 603 T HA 0.336 4.686 4.350 -0.001 0.000 0.292 603 T C 0.017 174.688 174.700 -0.048 0.000 1.064 603 T CA -1.244 60.853 62.100 -0.005 0.000 1.011 603 T CB 1.311 70.183 68.868 0.007 0.000 1.152 603 T HN 0.482 nan 8.240 nan 0.000 0.510 604 N N 0.318 118.991 118.700 -0.045 0.000 2.374 604 N HA 0.203 4.943 4.740 -0.001 0.000 0.284 604 N C 0.989 176.372 175.510 -0.213 0.000 1.280 604 N CA -0.557 52.429 53.050 -0.106 0.000 0.963 604 N CB -0.459 38.000 38.487 -0.047 0.000 1.141 604 N HN 0.507 nan 8.380 nan 0.000 0.565 605 S N -1.430 113.991 115.700 -0.465 0.000 2.474 605 S HA 0.067 4.537 4.470 -0.001 0.000 0.235 605 S C 0.603 174.757 174.600 -0.743 0.000 0.997 605 S CA 0.597 58.379 58.200 -0.697 0.000 0.949 605 S CB -0.676 61.943 63.200 -0.968 0.000 0.766 605 S HN 0.534 nan 8.310 nan 0.000 0.517 606 F N 0.512 120.466 119.950 0.006 0.000 2.639 606 F HA 0.396 4.923 4.527 -0.000 0.000 0.300 606 F C 1.685 177.496 175.800 0.019 0.000 1.109 606 F CA -0.098 57.907 58.000 0.008 0.000 1.335 606 F CB 0.006 39.005 39.000 -0.002 0.000 1.014 606 F HN 0.224 nan 8.300 nan 0.000 0.537 607 G N 0.274 109.120 108.800 0.076 0.000 2.179 607 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.260 607 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.260 607 G C -0.021 174.937 174.900 0.096 0.000 0.977 607 G CA -0.427 44.718 45.100 0.074 0.000 0.641 607 G HN 0.321 nan 8.290 nan 0.000 0.533 608 N N 1.675 120.445 118.700 0.117 0.000 2.499 608 N HA 0.423 5.162 4.740 -0.001 0.000 0.281 608 N C -2.725 172.859 175.510 0.122 0.000 1.098 608 N CA -1.226 51.909 53.050 0.141 0.000 0.979 608 N CB 1.250 39.832 38.487 0.159 0.000 1.121 608 N HN 0.054 nan 8.380 nan 0.000 0.466 609 P HA 0.021 nan 4.420 nan 0.000 0.265 609 P C -0.058 177.333 177.300 0.152 0.000 1.193 609 P CA 0.246 63.424 63.100 0.129 0.000 0.765 609 P CB 0.559 32.344 31.700 0.141 0.000 0.823 610 R N 2.122 122.689 120.500 0.112 0.000 2.489 610 R HA 0.502 4.842 4.340 -0.001 0.000 0.287 610 R C 0.179 176.638 176.300 0.265 0.000 1.053 610 R CA 0.201 56.384 56.100 0.137 0.000 1.036 610 R CB 0.264 30.582 30.300 0.030 0.000 0.966 610 R HN 0.505 nan 8.270 nan 0.000 0.432 611 A N 2.976 126.003 122.820 0.345 0.000 2.594 611 A HA 0.597 4.917 4.320 -0.001 0.000 0.291 611 A C -1.907 175.865 177.584 0.314 0.000 1.105 611 A CA -0.634 51.602 52.037 0.333 0.000 0.694 611 A CB 1.290 20.469 19.000 0.297 0.000 1.291 611 A HN 0.593 nan 8.150 nan 0.000 0.410 612 Y N 0.639 120.995 120.300 0.094 0.000 2.409 612 Y HA 0.514 5.064 4.550 -0.000 0.000 0.343 612 Y C 0.115 176.033 175.900 0.031 0.000 0.973 612 Y CA -0.588 57.532 58.100 0.034 0.000 1.064 612 Y CB 2.107 40.538 38.460 -0.049 0.000 1.207 612 Y HN 0.767 nan 8.280 nan 0.000 0.452 613 N N 3.473 122.230 118.700 0.096 0.000 2.426 613 N HA 0.319 5.059 4.740 -0.001 0.000 0.275 613 N C -1.220 174.342 175.510 0.087 0.000 1.019 613 N CA -0.209 52.853 53.050 0.021 0.000 0.941 613 N CB 0.532 39.011 38.487 -0.014 0.000 1.123 613 N HN 0.575 nan 8.380 nan 0.000 0.486 614 I N 3.799 124.427 120.570 0.097 0.000 2.291 614 I HA 0.190 4.360 4.170 -0.001 0.000 0.292 614 I C 0.217 176.363 176.117 0.049 0.000 1.064 614 I CA -0.053 61.326 61.300 0.132 0.000 1.269 614 I CB 0.346 38.448 38.000 0.170 0.000 1.418 614 I HN 0.366 nan 8.210 nan 0.000 0.485 615 M N 9.076 128.658 119.600 -0.030 0.000 2.066 615 M HA 0.360 4.839 4.480 -0.001 0.000 0.340 615 M C -2.347 173.764 176.300 -0.314 0.000 1.053 615 M CA -1.750 53.433 55.300 -0.194 0.000 0.983 615 M CB 1.584 34.113 32.600 -0.118 0.000 1.520 615 M HN 0.199 nan 8.290 nan 0.000 0.428 616 P HA 0.184 nan 4.420 nan 0.000 0.271 616 P C -0.365 176.705 177.300 -0.383 0.000 1.218 616 P CA 0.012 62.697 63.100 -0.692 0.000 0.780 616 P CB 1.279 32.054 31.700 -1.542 0.000 0.901 617 G N 1.466 110.124 108.800 -0.238 0.000 3.019 617 G HA2 0.572 4.531 3.960 -0.001 0.000 0.152 617 G HA3 0.572 4.531 3.960 -0.001 0.000 0.152 617 G C 0.064 174.848 174.900 -0.193 0.000 1.320 617 G CA -0.526 44.454 45.100 -0.200 0.000 1.013 617 G HN 0.599 nan 8.290 nan 0.000 0.593 618 G N -2.193 106.489 108.800 -0.196 0.000 2.572 618 G HA2 0.504 4.464 3.960 -0.001 0.000 0.261 618 G HA3 0.504 4.464 3.960 -0.001 0.000 0.261 618 G C 1.058 175.867 174.900 -0.152 0.000 1.197 618 G CA 0.643 45.646 45.100 -0.163 0.000 0.870 618 G HN 1.926 nan 8.290 nan 0.000 0.548 619 G N -1.290 107.454 108.800 -0.094 0.000 2.147 619 G HA2 0.030 3.989 3.960 -0.001 0.000 0.244 619 G HA3 0.030 3.989 3.960 -0.001 0.000 0.244 619 G C 0.853 175.761 174.900 0.013 0.000 1.005 619 G CA 0.612 45.675 45.100 -0.061 0.000 0.713 619 G HN 1.648 nan 8.290 nan 0.000 0.515 620 G N -0.113 108.708 108.800 0.035 0.000 3.316 620 G HA2 0.604 4.564 3.960 -0.001 0.000 0.255 620 G HA3 0.604 4.564 3.960 -0.001 0.000 0.255 620 G C 0.424 175.446 174.900 0.203 0.000 0.880 620 G CA 0.582 45.799 45.100 0.195 0.000 1.956 620 G HN 1.724 nan 8.290 nan 0.000 0.634 621 V N -1.196 118.766 119.914 0.081 0.000 3.040 621 V HA 0.936 5.055 4.120 -0.001 0.000 0.312 621 V C -0.536 175.555 176.094 -0.004 0.000 1.115 621 V CA -1.330 60.942 62.300 -0.047 0.000 0.998 621 V CB 1.718 33.399 31.823 -0.238 0.000 1.042 621 V HN 0.613 nan 8.190 nan 0.000 0.433 622 H N 0.536 119.655 119.070 0.083 0.000 2.927 622 H HA 0.749 5.304 4.556 -0.000 0.000 0.316 622 H C -0.155 175.223 175.328 0.083 0.000 1.403 622 H CA -1.190 54.893 56.048 0.058 0.000 1.288 622 H CB 0.705 30.481 29.762 0.022 0.000 1.944 622 H HN 0.713 nan 8.280 nan 0.000 0.629 623 R N 0.014 120.659 120.500 0.243 0.000 2.638 623 R HA 0.048 4.388 4.340 -0.001 0.000 0.268 623 R C 0.643 177.046 176.300 0.172 0.000 1.006 623 R CA 0.421 56.589 56.100 0.112 0.000 1.088 623 R CB 0.296 30.581 30.300 -0.025 0.000 0.950 623 R HN 0.607 nan 8.270 nan 0.000 0.419 624 I N 1.665 122.246 120.570 0.019 0.000 2.339 624 I HA -0.100 4.070 4.170 -0.001 0.000 0.245 624 I C 0.599 176.698 176.117 -0.031 0.000 1.096 624 I CA 0.619 61.895 61.300 -0.039 0.000 1.408 624 I CB 0.098 38.001 38.000 -0.163 0.000 1.092 624 I HN 0.280 nan 8.210 nan 0.000 0.423 625 V N 2.703 122.567 119.914 -0.083 0.000 2.740 625 V HA -0.021 4.099 4.120 -0.001 0.000 0.303 625 V C 1.066 177.139 176.094 -0.035 0.000 1.054 625 V CA 0.286 62.544 62.300 -0.070 0.000 1.106 625 V CB 0.989 32.738 31.823 -0.124 0.000 0.957 625 V HN 0.276 nan 8.190 nan 0.000 0.486 626 K N 2.507 122.898 120.400 -0.015 0.000 2.329 626 K HA 0.158 4.478 4.320 -0.001 0.000 0.198 626 K C 0.708 177.310 176.600 0.002 0.000 1.085 626 K CA 0.524 56.808 56.287 -0.005 0.000 0.961 626 K CB 0.152 32.656 32.500 0.006 0.000 0.971 626 K HN 0.642 nan 8.250 nan 0.000 0.502 627 N N 1.527 120.231 118.700 0.006 0.000 2.762 627 N HA 0.082 4.822 4.740 -0.001 0.000 0.252 627 N C -1.417 174.105 175.510 0.020 0.000 1.269 627 N CA 0.061 53.120 53.050 0.015 0.000 0.799 627 N CB 0.811 39.308 38.487 0.017 0.000 1.173 627 N HN -0.121 nan 8.380 nan 0.000 0.516 628 S N 1.463 117.187 115.700 0.041 0.000 2.499 628 S HA 0.281 4.750 4.470 -0.001 0.000 0.279 628 S C 1.363 175.982 174.600 0.032 0.000 1.219 628 S CA -0.467 57.771 58.200 0.064 0.000 1.062 628 S CB 0.991 64.319 63.200 0.212 0.000 0.978 628 S HN 0.565 nan 8.310 nan 0.000 0.489 629 R N 2.518 123.038 120.500 0.033 0.000 2.189 629 R HA 0.008 4.348 4.340 -0.001 0.000 0.223 629 R C 1.378 177.678 176.300 -0.000 0.000 1.092 629 R CA 1.156 57.276 56.100 0.034 0.000 0.989 629 R CB -0.117 30.224 30.300 0.068 0.000 0.876 629 R HN 0.507 nan 8.270 nan 0.000 0.457 630 S N -0.764 114.959 115.700 0.038 0.000 2.575 630 S HA 0.139 4.608 4.470 -0.001 0.000 0.215 630 S C 0.681 175.153 174.600 -0.213 0.000 0.966 630 S CA 0.354 58.557 58.200 0.004 0.000 0.911 630 S CB 1.402 64.677 63.200 0.125 0.000 0.780 630 S HN 0.479 nan 8.310 nan 0.000 0.514 631 G N 2.014 110.664 108.800 -0.251 0.000 4.485 631 G HA2 0.363 4.322 3.960 -0.001 0.000 0.238 631 G HA3 0.363 4.322 3.960 -0.001 0.000 0.238 631 G C -2.582 172.126 174.900 -0.321 0.000 1.216 631 G CA -0.604 44.159 45.100 -0.563 0.000 0.611 631 G HN 0.052 nan 8.290 nan 0.000 0.422 632 P HA -0.003 nan 4.420 nan 0.000 0.215 632 P C 1.078 178.248 177.300 -0.217 0.000 1.157 632 P CA 1.229 64.167 63.100 -0.269 0.000 0.859 632 P CB 0.532 31.936 31.700 -0.494 0.000 0.786 633 E N -2.326 117.712 120.200 -0.270 0.000 2.641 633 E HA 0.078 4.427 4.350 -0.001 0.000 0.224 633 E C 1.118 177.608 176.600 -0.184 0.000 0.951 633 E CA 0.466 56.763 56.400 -0.172 0.000 1.102 633 E CB -0.230 29.408 29.700 -0.104 0.000 1.091 633 E HN 0.313 nan 8.360 nan 0.000 0.507 634 T N -1.184 113.217 114.554 -0.255 0.000 3.088 634 T HA 0.054 4.404 4.350 -0.001 0.000 0.259 634 T C 1.068 175.661 174.700 -0.179 0.000 1.122 634 T CA 0.425 62.393 62.100 -0.221 0.000 1.095 634 T CB 0.201 68.892 68.868 -0.294 0.000 0.930 634 T HN -0.153 nan 8.240 nan 0.000 0.508 635 Q N 0.640 120.278 119.800 -0.270 0.000 2.409 635 Q HA 0.323 4.663 4.340 -0.001 0.000 0.345 635 Q C -0.143 175.438 176.000 -0.698 0.000 0.847 635 Q CA -0.252 55.323 55.803 -0.380 0.000 1.092 635 Q CB 0.433 28.944 28.738 -0.379 0.000 1.377 635 Q HN 0.298 nan 8.270 nan 0.000 0.399 636 N N 0.403 118.865 118.700 -0.398 0.000 2.550 636 N HA -0.063 4.677 4.740 -0.001 0.000 0.186 636 N C 1.247 176.492 175.510 -0.441 0.000 1.110 636 N CA 0.487 53.334 53.050 -0.338 0.000 0.912 636 N CB 0.148 38.540 38.487 -0.158 0.000 0.968 636 N HN 0.574 nan 8.380 nan 0.000 0.448 637 W N -0.313 120.644 121.300 -0.572 0.000 2.800 637 W HA 0.308 4.967 4.660 -0.001 0.000 0.249 637 W C 0.800 177.136 176.519 -0.305 0.000 1.294 637 W CA 0.085 56.802 57.345 -1.048 0.000 1.402 637 W CB -0.538 27.966 29.460 -1.593 0.000 1.126 637 W HN -0.061 nan 8.180 nan 0.000 0.652 638 A N 1.998 124.241 122.820 -0.961 0.000 2.337 638 A HA 0.066 4.386 4.320 -0.001 0.000 0.227 638 A C 2.031 179.467 177.584 -0.246 0.000 1.259 638 A CA 0.016 51.587 52.037 -0.775 0.000 0.870 638 A CB -0.644 17.539 19.000 -1.362 0.000 0.927 638 A HN 0.424 nan 8.150 nan 0.000 0.497 639 R N -1.546 118.859 120.500 -0.158 0.000 2.312 639 R HA 0.314 4.653 4.340 -0.001 0.000 0.205 639 R C -0.148 175.864 176.300 -0.481 0.000 0.904 639 R CA 0.519 56.500 56.100 -0.198 0.000 1.052 639 R CB 0.064 30.285 30.300 -0.131 0.000 1.014 639 R HN 0.213 nan 8.270 nan 0.000 0.503 640 S N -0.080 115.433 115.700 -0.312 0.000 2.697 640 S HA 0.261 4.731 4.470 -0.001 0.000 0.289 640 S C -0.266 174.204 174.600 -0.218 0.000 1.149 640 S CA -0.875 57.010 58.200 -0.526 0.000 0.850 640 S CB 1.967 64.747 63.200 -0.701 0.000 1.151 640 S HN 0.173 nan 8.310 nan 0.000 0.491 641 N N 0.005 118.570 118.700 -0.224 0.000 2.270 641 N HA 0.201 4.941 4.740 -0.001 0.000 0.181 641 N C 0.058 175.412 175.510 -0.259 0.000 1.016 641 N CA 0.647 53.585 53.050 -0.187 0.000 0.870 641 N CB 0.185 38.343 38.487 -0.548 0.000 0.979 641 N HN 0.405 nan 8.380 nan 0.000 0.431 642 L N -1.100 119.845 121.223 -0.464 0.000 2.653 642 L HA 0.467 4.806 4.340 -0.001 0.000 0.257 642 L C -1.904 174.700 176.870 -0.443 0.000 0.969 642 L CA -0.750 53.914 54.840 -0.293 0.000 0.869 642 L CB 1.275 43.100 42.059 -0.389 0.000 1.439 642 L HN -0.203 nan 8.230 nan 0.000 0.414 643 F N 2.633 122.663 119.950 0.134 0.000 2.588 643 F HA 0.658 5.185 4.527 -0.000 0.000 0.314 643 F C -0.760 175.229 175.800 0.314 0.000 1.069 643 F CA -0.555 57.578 58.000 0.221 0.000 0.931 643 F CB 2.172 41.409 39.000 0.395 0.000 1.260 643 F HN 0.166 nan 8.300 nan 0.000 0.465 644 L N 2.248 123.716 121.223 0.410 0.000 2.333 644 L HA 0.706 5.046 4.340 -0.001 0.000 0.280 644 L C -0.335 176.743 176.870 0.347 0.000 1.004 644 L CA -0.531 54.504 54.840 0.324 0.000 0.820 644 L CB 2.074 44.230 42.059 0.162 0.000 1.247 644 L HN 0.783 nan 8.230 nan 0.000 0.416 645 T N -0.944 113.847 114.554 0.394 0.000 2.901 645 T HA 0.379 4.728 4.350 -0.001 0.000 0.293 645 T C -0.602 174.230 174.700 0.220 0.000 1.084 645 T CA -1.010 61.275 62.100 0.309 0.000 1.008 645 T CB 2.168 71.265 68.868 0.382 0.000 1.170 645 T HN 0.456 nan 8.240 nan 0.000 0.509 646 K N 1.569 122.056 120.400 0.145 0.000 2.339 646 K HA 0.053 4.373 4.320 -0.001 0.000 0.286 646 K C 0.261 176.928 176.600 0.112 0.000 1.050 646 K CA -0.502 55.854 56.287 0.116 0.000 0.956 646 K CB 0.225 32.770 32.500 0.075 0.000 0.990 646 K HN 0.807 nan 8.250 nan 0.000 0.475 647 H N 4.660 123.761 119.070 0.051 0.000 3.034 647 H HA 0.025 4.581 4.556 -0.001 0.000 0.324 647 H C -1.044 174.292 175.328 0.014 0.000 1.015 647 H CA 1.127 57.197 56.048 0.036 0.000 1.429 647 H CB 0.485 30.256 29.762 0.015 0.000 1.429 647 H HN 0.549 nan 8.280 nan 0.000 0.585 648 K N 4.387 124.380 120.400 -0.679 0.000 2.525 648 K HA 0.086 4.406 4.320 -0.001 0.000 0.254 648 K C 0.161 176.479 176.600 -0.470 0.000 0.934 648 K CA -0.851 55.180 56.287 -0.427 0.000 0.802 648 K CB 1.815 34.183 32.500 -0.220 0.000 1.295 648 K HN 0.537 nan 8.250 nan 0.000 0.433 649 D N 1.936 122.239 120.400 -0.162 0.000 2.182 649 D HA -0.192 4.448 4.640 -0.001 0.000 0.201 649 D C 1.379 177.803 176.300 0.207 0.000 0.986 649 D CA 1.460 55.492 54.000 0.054 0.000 0.847 649 D CB 0.428 41.271 40.800 0.072 0.000 0.942 649 D HN 0.634 nan 8.370 nan 0.000 0.467 650 E N 0.906 121.193 120.200 0.145 0.000 2.427 650 E HA -0.107 4.243 4.350 -0.001 0.000 0.196 650 E C 0.154 176.811 176.600 0.095 0.000 1.028 650 E CA 0.516 57.078 56.400 0.271 0.000 0.864 650 E CB -0.264 29.535 29.700 0.165 0.000 0.813 650 E HN 0.318 nan 8.360 nan 0.000 0.514 651 E N 1.120 121.246 120.200 -0.122 0.000 2.989 651 E HA 0.115 4.465 4.350 -0.001 0.000 0.224 651 E C 0.527 177.091 176.600 -0.059 0.000 1.175 651 E CA -0.263 55.872 56.400 -0.441 0.000 1.300 651 E CB 0.585 29.614 29.700 -1.117 0.000 1.422 651 E HN 0.052 nan 8.360 nan 0.000 0.439 652 L N 1.559 122.870 121.223 0.148 0.000 2.072 652 L HA -0.033 4.306 4.340 -0.001 0.000 0.205 652 L C 0.614 177.673 176.870 0.314 0.000 1.079 652 L CA 1.592 56.566 54.840 0.222 0.000 0.752 652 L CB 0.093 42.259 42.059 0.179 0.000 0.906 652 L HN 0.186 nan 8.230 nan 0.000 0.436 653 R N -2.256 118.448 120.500 0.340 0.000 2.668 653 R HA 0.413 4.752 4.340 -0.001 0.000 0.272 653 R C 0.225 176.712 176.300 0.311 0.000 1.019 653 R CA 0.187 56.476 56.100 0.314 0.000 0.894 653 R CB 0.863 31.208 30.300 0.076 0.000 1.228 653 R HN -0.003 nan 8.270 nan 0.000 0.460 654 S N -0.138 115.656 115.700 0.157 0.000 2.524 654 S HA 0.086 4.556 4.470 -0.001 0.000 0.216 654 S C 0.610 175.145 174.600 -0.109 0.000 0.987 654 S CA 0.192 58.343 58.200 -0.082 0.000 0.909 654 S CB 0.201 63.159 63.200 -0.404 0.000 0.781 654 S HN 0.597 nan 8.310 nan 0.000 0.521 655 S N 0.309 115.962 115.700 -0.078 0.000 2.705 655 S HA 0.736 5.205 4.470 -0.001 0.000 0.280 655 S C -1.064 173.513 174.600 -0.038 0.000 1.174 655 S CA -0.031 58.151 58.200 -0.030 0.000 0.823 655 S CB 1.454 64.643 63.200 -0.018 0.000 1.162 655 S HN 0.677 nan 8.310 nan 0.000 0.487 656 T N -1.278 113.258 114.554 -0.031 0.000 2.864 656 T HA 0.725 5.074 4.350 -0.001 0.000 0.299 656 T C 0.809 175.470 174.700 -0.066 0.000 1.166 656 T CA -0.093 61.971 62.100 -0.060 0.000 1.007 656 T CB 1.008 69.869 68.868 -0.011 0.000 1.219 656 T HN 0.997 nan 8.240 nan 0.000 0.506 657 A N 0.454 123.199 122.820 -0.126 0.000 2.172 657 A HA 0.246 4.566 4.320 -0.001 0.000 0.216 657 A C 1.796 179.382 177.584 0.002 0.000 1.154 657 A CA 0.780 52.745 52.037 -0.119 0.000 0.701 657 A CB -0.856 17.925 19.000 -0.365 0.000 0.789 657 A HN 0.778 nan 8.150 nan 0.000 0.465 658 L N -1.024 120.205 121.223 0.011 0.000 2.667 658 L HA 0.132 4.472 4.340 -0.001 0.000 0.232 658 L C 1.470 178.344 176.870 0.006 0.000 1.138 658 L CA -0.132 54.724 54.840 0.028 0.000 0.921 658 L CB -0.198 41.885 42.059 0.040 0.000 1.180 658 L HN 0.219 nan 8.230 nan 0.000 0.487 659 N N -0.297 118.401 118.700 -0.004 0.000 2.250 659 N HA -0.129 4.611 4.740 -0.001 0.000 0.181 659 N C 1.921 177.394 175.510 -0.062 0.000 1.017 659 N CA 1.252 54.286 53.050 -0.027 0.000 0.866 659 N CB 0.044 38.517 38.487 -0.023 0.000 0.985 659 N HN 0.019 nan 8.380 nan 0.000 0.429 660 T N 0.391 114.913 114.554 -0.053 0.000 2.759 660 T HA -0.063 4.287 4.350 -0.001 0.000 0.269 660 T C 1.230 175.859 174.700 -0.117 0.000 1.042 660 T CA 1.264 63.310 62.100 -0.090 0.000 1.140 660 T CB -0.144 68.699 68.868 -0.042 0.000 0.864 660 T HN 0.221 nan 8.240 nan 0.000 0.455 661 N N 0.867 119.512 118.700 -0.093 0.000 2.353 661 N HA 0.189 4.929 4.740 -0.001 0.000 0.185 661 N C 0.449 175.913 175.510 -0.078 0.000 1.098 661 N CA 0.260 53.253 53.050 -0.096 0.000 0.872 661 N CB 0.148 38.571 38.487 -0.107 0.000 0.970 661 N HN 0.370 nan 8.380 nan 0.000 0.467 662 A N 1.445 124.221 122.820 -0.073 0.000 3.078 662 A HA 0.279 4.599 4.320 -0.001 0.000 0.279 662 A C 1.426 178.960 177.584 -0.083 0.000 1.594 662 A CA -0.346 51.668 52.037 -0.038 0.000 1.301 662 A CB -0.700 18.289 19.000 -0.019 0.000 1.162 662 A HN 0.142 nan 8.150 nan 0.000 0.585 663 L N -0.423 120.725 121.223 -0.126 0.000 2.042 663 L HA -0.233 4.107 4.340 -0.001 0.000 0.210 663 L C 1.722 178.256 176.870 -0.561 0.000 1.076 663 L CA 1.789 56.396 54.840 -0.388 0.000 0.749 663 L CB -0.484 41.269 42.059 -0.510 0.000 0.893 663 L HN 0.784 nan 8.230 nan 0.000 0.432 664 Y N -2.363 117.926 120.300 -0.018 0.000 2.498 664 Y HA 0.091 4.640 4.550 -0.000 0.000 0.259 664 Y C 0.836 176.728 175.900 -0.013 0.000 1.086 664 Y CA -0.168 57.921 58.100 -0.018 0.000 1.287 664 Y CB 0.488 38.942 38.460 -0.011 0.000 1.146 664 Y HN 0.010 nan 8.280 nan 0.000 0.523 665 D N 0.837 121.304 120.400 0.112 0.000 2.861 665 D HA 0.195 4.835 4.640 -0.001 0.000 0.357 665 D C -2.895 173.422 176.300 0.029 0.000 1.250 665 D CA -2.373 51.667 54.000 0.068 0.000 0.802 665 D CB 0.538 41.387 40.800 0.081 0.000 1.141 665 D HN -0.043 nan 8.370 nan 0.000 0.489 666 P HA 0.166 nan 4.420 nan 0.000 0.272 666 P C -1.994 175.311 177.300 0.008 0.000 1.223 666 P CA -1.084 62.008 63.100 -0.012 0.000 0.784 666 P CB 1.150 32.823 31.700 -0.046 0.000 0.923 667 P HA -0.147 nan 4.420 nan 0.000 0.217 667 P C 0.224 177.553 177.300 0.049 0.000 1.158 667 P CA 1.453 64.579 63.100 0.043 0.000 0.887 667 P CB 0.069 31.810 31.700 0.068 0.000 0.792 668 V N 0.252 120.188 119.914 0.036 0.000 2.409 668 V HA 0.298 4.418 4.120 -0.001 0.000 0.291 668 V C -0.112 175.955 176.094 -0.044 0.000 1.020 668 V CA -0.820 61.493 62.300 0.023 0.000 0.848 668 V CB 1.398 33.254 31.823 0.055 0.000 0.990 668 V HN 0.001 nan 8.190 nan 0.000 0.430 669 N N 3.724 122.373 118.700 -0.086 0.000 2.501 669 N HA 0.179 4.919 4.740 -0.001 0.000 0.245 669 N C 0.565 175.888 175.510 -0.312 0.000 0.974 669 N CA -0.499 52.472 53.050 -0.131 0.000 0.941 669 N CB 0.980 39.417 38.487 -0.084 0.000 1.122 669 N HN 0.594 nan 8.380 nan 0.000 0.507 670 F N 4.644 124.268 119.950 -0.544 0.000 2.192 670 F HA -0.155 4.372 4.527 -0.001 0.000 0.301 670 F C 1.410 176.674 175.800 -0.893 0.000 1.079 670 F CA 1.426 58.821 58.000 -1.009 0.000 1.303 670 F CB 0.108 38.677 39.000 -0.718 0.000 1.024 670 F HN 0.478 nan 8.300 nan 0.000 0.494 671 N N 0.765 119.167 118.700 -0.496 0.000 2.364 671 N HA -0.114 4.626 4.740 -0.001 0.000 0.183 671 N C 1.946 177.297 175.510 -0.264 0.000 1.022 671 N CA 1.073 53.894 53.050 -0.382 0.000 0.883 671 N CB -0.649 37.814 38.487 -0.041 0.000 0.965 671 N HN 0.429 nan 8.380 nan 0.000 0.438 672 A N 0.129 122.799 122.820 -0.249 0.000 2.070 672 A HA -0.085 4.235 4.320 -0.001 0.000 0.220 672 A C 1.403 179.011 177.584 0.038 0.000 1.159 672 A CA 0.744 52.743 52.037 -0.063 0.000 0.656 672 A CB -0.606 18.394 19.000 -0.000 0.000 0.800 672 A HN 0.129 nan 8.150 nan 0.000 0.453 673 F N -0.408 119.301 119.950 -0.402 0.000 2.407 673 F HA 0.165 4.691 4.527 -0.001 0.000 0.299 673 F C 0.803 176.433 175.800 -0.282 0.000 1.097 673 F CA -0.183 57.576 58.000 -0.401 0.000 1.422 673 F CB -0.727 37.832 39.000 -0.736 0.000 1.067 673 F HN 0.030 nan 8.300 nan 0.000 0.539 674 L N 2.326 123.497 121.223 -0.088 0.000 2.315 674 L HA 0.227 4.567 4.340 -0.001 0.000 0.278 674 L C -0.373 176.558 176.870 0.102 0.000 1.088 674 L CA -0.278 54.564 54.840 0.003 0.000 0.899 674 L CB 0.087 42.120 42.059 -0.043 0.000 1.277 674 L HN 0.004 nan 8.230 nan 0.000 0.431 675 D N 0.005 120.452 120.400 0.079 0.000 2.837 675 D HA 0.057 4.697 4.640 -0.001 0.000 0.340 675 D C 0.019 176.354 176.300 0.059 0.000 1.451 675 D CA -0.527 53.514 54.000 0.068 0.000 0.798 675 D CB 0.176 41.003 40.800 0.045 0.000 1.169 675 D HN 0.301 nan 8.370 nan 0.000 0.449 676 D N 0.206 120.652 120.400 0.077 0.000 3.012 676 D HA -0.174 4.465 4.640 -0.001 0.000 0.222 676 D C -0.442 175.890 176.300 0.052 0.000 1.167 676 D CA 0.831 54.870 54.000 0.066 0.000 0.854 676 D CB -1.011 39.819 40.800 0.050 0.000 1.107 676 D HN 0.600 nan 8.370 nan 0.000 0.421 677 E N 0.499 120.731 120.200 0.054 0.000 2.383 677 E HA 0.239 4.589 4.350 -0.001 0.000 0.264 677 E C 0.429 177.059 176.600 0.049 0.000 1.050 677 E CA -0.120 56.308 56.400 0.046 0.000 0.896 677 E CB 0.789 30.515 29.700 0.044 0.000 0.982 677 E HN 0.018 nan 8.360 nan 0.000 0.424 678 S N 1.859 117.584 115.700 0.041 0.000 2.549 678 S HA 0.009 4.478 4.470 -0.001 0.000 0.286 678 S C 0.577 175.206 174.600 0.048 0.000 1.314 678 S CA -0.170 58.054 58.200 0.040 0.000 1.062 678 S CB 0.202 63.422 63.200 0.033 0.000 0.865 678 S HN 0.458 nan 8.310 nan 0.000 0.498 679 L N 2.869 124.121 121.223 0.049 0.000 2.808 679 L HA 0.324 4.664 4.340 -0.001 0.000 0.246 679 L C 0.307 177.204 176.870 0.045 0.000 1.153 679 L CA -0.128 54.745 54.840 0.055 0.000 0.956 679 L CB 0.249 42.346 42.059 0.063 0.000 1.270 679 L HN 0.527 nan 8.230 nan 0.000 0.528 680 D N 2.018 122.440 120.400 0.037 0.000 2.453 680 D HA 0.319 4.959 4.640 -0.001 0.000 0.223 680 D C 0.755 177.074 176.300 0.031 0.000 1.183 680 D CA 0.317 54.335 54.000 0.031 0.000 0.933 680 D CB 0.462 41.277 40.800 0.024 0.000 1.038 680 D HN 0.290 nan 8.370 nan 0.000 0.513 681 G N 3.168 111.989 108.800 0.035 0.000 2.638 681 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.269 681 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.269 681 G C -0.323 174.598 174.900 0.035 0.000 1.141 681 G CA -0.426 44.695 45.100 0.034 0.000 1.081 681 G HN 0.434 nan 8.290 nan 0.000 0.527 682 E N -0.400 119.825 120.200 0.041 0.000 2.449 682 E HA 0.339 4.689 4.350 -0.001 0.000 0.278 682 E C -1.237 175.392 176.600 0.048 0.000 0.992 682 E CA -0.965 55.462 56.400 0.045 0.000 0.807 682 E CB 1.314 31.046 29.700 0.053 0.000 1.350 682 E HN 0.163 nan 8.360 nan 0.000 0.462 683 D N 1.540 121.971 120.400 0.051 0.000 2.338 683 D HA 0.267 4.906 4.640 -0.001 0.000 0.255 683 D C -0.504 175.850 176.300 0.090 0.000 1.237 683 D CA 0.065 54.092 54.000 0.046 0.000 0.883 683 D CB 0.017 40.827 40.800 0.016 0.000 1.087 683 D HN 0.298 nan 8.370 nan 0.000 0.485 684 I N 2.925 123.540 120.570 0.074 0.000 2.525 684 I HA 0.329 4.498 4.170 -0.001 0.000 0.301 684 I C -0.202 175.957 176.117 0.071 0.000 0.992 684 I CA -1.112 60.242 61.300 0.090 0.000 1.162 684 I CB 2.137 40.181 38.000 0.074 0.000 1.332 684 I HN 0.057 nan 8.210 nan 0.000 0.458 685 V N 4.120 124.079 119.914 0.074 0.000 2.604 685 V HA 0.647 4.767 4.120 -0.001 0.000 0.305 685 V C -0.081 175.954 176.094 -0.098 0.000 1.043 685 V CA -0.656 61.596 62.300 -0.079 0.000 0.888 685 V CB 1.745 33.459 31.823 -0.182 0.000 0.995 685 V HN 0.820 nan 8.190 nan 0.000 0.429 686 A N 4.012 126.723 122.820 -0.181 0.000 2.292 686 A HA 0.761 5.081 4.320 -0.001 0.000 0.319 686 A C -1.411 176.071 177.584 -0.171 0.000 1.206 686 A CA -0.411 51.591 52.037 -0.059 0.000 0.835 686 A CB 0.460 19.439 19.000 -0.036 0.000 1.164 686 A HN 0.827 nan 8.150 nan 0.000 0.505 687 W N 2.694 124.096 121.300 0.171 0.000 2.278 687 W HA 0.528 5.187 4.660 -0.001 0.000 0.317 687 W C -0.656 175.922 176.519 0.097 0.000 1.030 687 W CA -0.503 56.940 57.345 0.164 0.000 1.334 687 W CB 1.538 31.174 29.460 0.292 0.000 1.215 687 W HN 0.394 nan 8.180 nan 0.000 0.405 688 V N 4.756 124.761 119.914 0.151 0.000 2.459 688 V HA 0.395 4.514 4.120 -0.001 0.000 0.295 688 V C -0.174 176.003 176.094 0.139 0.000 1.029 688 V CA -1.031 61.260 62.300 -0.016 0.000 0.874 688 V CB 1.242 32.771 31.823 -0.490 0.000 0.985 688 V HN 0.393 nan 8.190 nan 0.000 0.438 689 N N 4.172 122.984 118.700 0.186 0.000 2.417 689 N HA 0.717 5.457 4.740 -0.001 0.000 0.300 689 N C -0.976 174.724 175.510 0.316 0.000 1.102 689 N CA -0.424 52.812 53.050 0.311 0.000 0.886 689 N CB 2.388 41.089 38.487 0.357 0.000 1.203 689 N HN 0.508 nan 8.380 nan 0.000 0.496 690 L N 0.200 121.641 121.223 0.364 0.000 2.341 690 L HA 0.847 5.187 4.340 -0.001 0.000 0.267 690 L C 0.607 177.613 176.870 0.226 0.000 1.009 690 L CA -0.794 54.217 54.840 0.286 0.000 0.819 690 L CB 2.289 44.541 42.059 0.322 0.000 1.323 690 L HN 0.597 nan 8.230 nan 0.000 0.425 691 G N 1.453 110.325 108.800 0.120 0.000 2.608 691 G HA2 0.722 4.682 3.960 -0.001 0.000 0.291 691 G HA3 0.722 4.682 3.960 -0.001 0.000 0.291 691 G C -2.047 172.831 174.900 -0.038 0.000 1.425 691 G CA -0.549 44.592 45.100 0.068 0.000 0.787 691 G HN 0.368 nan 8.290 nan 0.000 0.484 692 L N 0.670 121.869 121.223 -0.040 0.000 2.464 692 L HA 0.424 4.764 4.340 -0.001 0.000 0.266 692 L C -1.098 175.708 176.870 -0.107 0.000 0.965 692 L CA -1.094 53.703 54.840 -0.071 0.000 0.833 692 L CB 2.630 44.724 42.059 0.059 0.000 1.296 692 L HN 0.499 nan 8.230 nan 0.000 0.405 693 H N 2.281 121.393 119.070 0.070 0.000 2.741 693 H HA 0.214 4.769 4.556 -0.001 0.000 0.282 693 H C -0.825 174.600 175.328 0.163 0.000 1.122 693 H CA -0.154 55.939 56.048 0.075 0.000 1.293 693 H CB 0.473 30.321 29.762 0.143 0.000 1.415 693 H HN 0.523 nan 8.280 nan 0.000 0.472 694 H N 3.673 122.728 119.070 -0.025 0.000 2.556 694 H HA 0.221 4.777 4.556 -0.001 0.000 0.310 694 H C -0.729 174.587 175.328 -0.020 0.000 1.057 694 H CA -0.981 55.004 56.048 -0.104 0.000 1.264 694 H CB 0.867 30.443 29.762 -0.311 0.000 1.404 694 H HN 0.296 nan 8.280 nan 0.000 0.462 695 L N 9.056 130.405 121.223 0.209 0.000 2.408 695 L HA 0.394 4.734 4.340 -0.001 0.000 0.257 695 L C -2.633 174.258 176.870 0.036 0.000 1.053 695 L CA -1.854 53.035 54.840 0.082 0.000 0.922 695 L CB 0.848 42.872 42.059 -0.058 0.000 1.261 695 L HN 0.547 nan 8.230 nan 0.000 0.458 696 P HA 0.195 nan 4.420 nan 0.000 0.266 696 P C -1.113 176.212 177.300 0.041 0.000 1.195 696 P CA 0.156 63.242 63.100 -0.024 0.000 0.768 696 P CB 0.586 32.250 31.700 -0.060 0.000 0.838 697 N N -1.326 117.411 118.700 0.062 0.000 3.379 697 N HA 0.274 5.014 4.740 -0.001 0.000 0.350 697 N C 0.882 176.417 175.510 0.041 0.000 1.553 697 N CA -0.551 52.518 53.050 0.031 0.000 0.712 697 N CB -0.152 38.346 38.487 0.019 0.000 1.880 697 N HN 0.129 nan 8.380 nan 0.000 0.648 698 S N -1.045 114.667 115.700 0.019 0.000 2.419 698 S HA -0.182 4.288 4.470 -0.001 0.000 0.235 698 S C 1.191 175.818 174.600 0.045 0.000 1.019 698 S CA 1.357 59.575 58.200 0.029 0.000 0.982 698 S CB -0.858 62.346 63.200 0.007 0.000 0.789 698 S HN 0.589 nan 8.310 nan 0.000 0.490 699 N N 1.781 120.507 118.700 0.043 0.000 2.575 699 N HA 0.076 4.816 4.740 -0.001 0.000 0.192 699 N C 0.331 175.875 175.510 0.055 0.000 1.200 699 N CA 0.601 53.676 53.050 0.042 0.000 0.897 699 N CB -0.146 38.362 38.487 0.035 0.000 0.990 699 N HN 0.524 nan 8.380 nan 0.000 0.449 700 D N -0.694 119.755 120.400 0.081 0.000 2.431 700 D HA 0.120 4.760 4.640 -0.001 0.000 0.213 700 D C -0.280 176.074 176.300 0.089 0.000 1.130 700 D CA 0.102 54.161 54.000 0.099 0.000 0.834 700 D CB 1.210 42.106 40.800 0.160 0.000 0.985 700 D HN 0.201 nan 8.370 nan 0.000 0.504 701 L N 2.052 123.331 121.223 0.093 0.000 2.341 701 L HA 0.278 4.618 4.340 -0.001 0.000 0.278 701 L C -1.406 175.517 176.870 0.089 0.000 1.005 701 L CA -1.548 53.372 54.840 0.134 0.000 0.818 701 L CB 2.478 44.665 42.059 0.213 0.000 1.259 701 L HN -0.264 nan 8.230 nan 0.000 0.418 702 P HA 0.041 nan 4.420 nan 0.000 0.231 702 P C -0.206 177.042 177.300 -0.087 0.000 1.168 702 P CA 0.611 63.741 63.100 0.050 0.000 0.779 702 P CB 0.419 32.119 31.700 0.001 0.000 0.844 703 N N -1.413 117.194 118.700 -0.154 0.000 2.284 703 N HA 0.246 4.985 4.740 -0.001 0.000 0.289 703 N C -0.824 174.608 175.510 -0.130 0.000 1.179 703 N CA -0.355 52.545 53.050 -0.250 0.000 0.774 703 N CB 1.289 39.540 38.487 -0.393 0.000 1.548 703 N HN -0.303 nan 8.380 nan 0.000 0.473 704 T N 1.232 115.724 114.554 -0.104 0.000 2.926 704 T HA 0.355 4.704 4.350 -0.001 0.000 0.307 704 T C 0.519 175.090 174.700 -0.215 0.000 1.059 704 T CA -0.040 62.024 62.100 -0.061 0.000 1.122 704 T CB -0.061 68.826 68.868 0.032 0.000 0.972 704 T HN 0.400 nan 8.240 nan 0.000 0.545 705 I N -0.978 119.495 120.570 -0.162 0.000 2.525 705 I HA 0.458 4.628 4.170 -0.001 0.000 0.301 705 I C 0.407 176.435 176.117 -0.148 0.000 0.992 705 I CA -0.912 60.270 61.300 -0.196 0.000 1.162 705 I CB 1.176 39.123 38.000 -0.088 0.000 1.332 705 I HN 0.567 nan 8.210 nan 0.000 0.458 706 F N 1.979 121.878 119.950 -0.085 0.000 2.407 706 F HA -0.148 4.379 4.527 -0.001 0.000 0.299 706 F C 2.696 178.436 175.800 -0.101 0.000 1.097 706 F CA 1.087 59.026 58.000 -0.103 0.000 1.422 706 F CB 0.190 39.126 39.000 -0.107 0.000 1.067 706 F HN 0.757 nan 8.300 nan 0.000 0.539 707 S N -0.875 114.881 115.700 0.094 0.000 2.383 707 S HA -0.177 4.292 4.470 -0.001 0.000 0.227 707 S C 1.668 176.274 174.600 0.011 0.000 1.026 707 S CA 1.542 59.749 58.200 0.012 0.000 0.981 707 S CB -1.084 62.119 63.200 0.006 0.000 0.818 707 S HN 0.400 nan 8.310 nan 0.000 0.472 708 T N -1.533 113.035 114.554 0.022 0.000 3.092 708 T HA 0.659 5.009 4.350 -0.001 0.000 0.258 708 T C 0.348 175.059 174.700 0.019 0.000 1.031 708 T CA 0.063 62.179 62.100 0.026 0.000 0.925 708 T CB 0.416 69.294 68.868 0.016 0.000 1.036 708 T HN 0.483 nan 8.240 nan 0.000 0.544 709 A N 1.626 124.456 122.820 0.018 0.000 2.923 709 A HA 0.627 4.947 4.320 -0.001 0.000 0.343 709 A C -0.711 176.918 177.584 0.074 0.000 1.199 709 A CA -0.556 51.462 52.037 -0.032 0.000 0.878 709 A CB -0.258 18.653 19.000 -0.148 0.000 1.104 709 A HN 0.573 nan 8.150 nan 0.000 0.483 710 H N 0.627 119.670 119.070 -0.045 0.000 2.679 710 H HA 0.800 5.356 4.556 -0.001 0.000 0.360 710 H C -0.765 174.540 175.328 -0.039 0.000 1.105 710 H CA -0.133 55.889 56.048 -0.042 0.000 1.196 710 H CB 1.740 31.479 29.762 -0.039 0.000 1.636 710 H HN 0.651 nan 8.280 nan 0.000 0.531 711 A N 2.948 125.553 122.820 -0.358 0.000 2.515 711 A HA 0.756 5.076 4.320 -0.001 0.000 0.298 711 A C -1.106 176.233 177.584 -0.408 0.000 1.059 711 A CA -0.032 51.802 52.037 -0.338 0.000 0.698 711 A CB 1.275 20.227 19.000 -0.079 0.000 1.289 711 A HN 1.177 nan 8.150 nan 0.000 0.404 712 S N -0.127 115.380 115.700 -0.322 0.000 2.587 712 S HA 0.878 5.348 4.470 -0.001 0.000 0.269 712 S C -0.894 173.632 174.600 -0.124 0.000 1.154 712 S CA -0.527 57.498 58.200 -0.291 0.000 0.824 712 S CB 1.010 64.002 63.200 -0.346 0.000 1.118 712 S HN 1.979 nan 8.310 nan 0.000 0.462 713 F N -0.918 118.880 119.950 -0.254 0.000 2.626 713 F HA 0.881 5.408 4.527 -0.001 0.000 0.311 713 F C -1.035 174.636 175.800 -0.214 0.000 1.088 713 F CA -1.286 56.580 58.000 -0.224 0.000 0.949 713 F CB 1.423 40.327 39.000 -0.160 0.000 1.322 713 F HN 0.665 nan 8.300 nan 0.000 0.461 714 M N 2.481 122.086 119.600 0.008 0.000 2.602 714 M HA 0.593 5.072 4.480 -0.001 0.000 0.312 714 M C -1.500 174.863 176.300 0.104 0.000 1.181 714 M CA -0.809 54.449 55.300 -0.069 0.000 0.910 714 M CB 2.635 35.164 32.600 -0.118 0.000 1.723 714 M HN 0.614 nan 8.290 nan 0.000 0.459 715 L N 1.178 122.447 121.223 0.077 0.000 2.316 715 L HA 0.550 4.890 4.340 -0.001 0.000 0.280 715 L C -0.386 176.628 176.870 0.239 0.000 1.006 715 L CA -0.406 54.561 54.840 0.213 0.000 0.836 715 L CB 1.677 43.853 42.059 0.195 0.000 1.221 715 L HN 0.610 nan 8.230 nan 0.000 0.418 716 T N 3.753 118.379 114.554 0.121 0.000 2.876 716 T HA 0.542 4.892 4.350 -0.001 0.000 0.289 716 T C -2.708 171.671 174.700 -0.535 0.000 1.014 716 T CA -1.882 60.143 62.100 -0.125 0.000 0.986 716 T CB 2.041 70.852 68.868 -0.095 0.000 1.021 716 T HN 0.142 nan 8.240 nan 0.000 0.458 717 P HA 0.268 nan 4.420 nan 0.000 0.266 717 P C -1.364 175.777 177.300 -0.265 0.000 1.195 717 P CA 0.062 62.598 63.100 -0.941 0.000 0.768 717 P CB 0.064 31.467 31.700 -0.496 0.000 0.838 718 F N 3.626 123.408 119.950 -0.280 0.000 2.828 718 F HA 0.288 4.814 4.527 -0.001 0.000 0.355 718 F C 0.076 175.873 175.800 -0.006 0.000 1.200 718 F CA -0.458 57.483 58.000 -0.098 0.000 1.062 718 F CB 0.534 39.499 39.000 -0.058 0.000 1.351 718 F HN 0.254 nan 8.300 nan 0.000 0.504 719 N N 3.492 122.108 118.700 -0.140 0.000 2.708 719 N HA -0.341 4.398 4.740 -0.001 0.000 0.251 719 N C 0.584 176.131 175.510 0.062 0.000 1.123 719 N CA 1.463 54.506 53.050 -0.012 0.000 0.739 719 N CB -1.756 36.757 38.487 0.042 0.000 1.113 719 N HN 0.796 nan 8.380 nan 0.000 0.561 720 Y N -0.319 119.904 120.300 -0.128 0.000 2.314 720 Y HA 0.138 4.688 4.550 -0.001 0.000 0.293 720 Y C 0.592 176.256 175.900 -0.392 0.000 1.129 720 Y CA 1.228 59.161 58.100 -0.278 0.000 1.201 720 Y CB 0.209 38.395 38.460 -0.457 0.000 0.999 720 Y HN 0.066 nan 8.280 nan 0.000 0.541 721 F N -0.894 119.092 119.950 0.060 0.000 2.712 721 F HA 0.287 4.814 4.527 -0.001 0.000 0.367 721 F C 1.130 176.940 175.800 0.015 0.000 1.132 721 F CA -1.232 56.764 58.000 -0.006 0.000 1.066 721 F CB 0.199 39.241 39.000 0.070 0.000 1.416 721 F HN -0.383 nan 8.300 nan 0.000 0.515 722 D N -0.598 119.949 120.400 0.246 0.000 2.348 722 D HA 0.104 4.743 4.640 -0.001 0.000 0.211 722 D C 0.107 176.550 176.300 0.237 0.000 0.998 722 D CA 0.758 54.890 54.000 0.220 0.000 0.873 722 D CB 0.245 41.126 40.800 0.136 0.000 0.925 722 D HN 0.388 nan 8.370 nan 0.000 0.524 723 S N -1.233 114.582 115.700 0.193 0.000 2.643 723 S HA 0.251 4.721 4.470 -0.001 0.000 0.270 723 S C -0.795 173.882 174.600 0.128 0.000 1.166 723 S CA -0.999 57.271 58.200 0.116 0.000 0.815 723 S CB 2.477 65.713 63.200 0.060 0.000 1.139 723 S HN -0.140 nan 8.310 nan 0.000 0.472 724 E N 0.854 121.098 120.200 0.073 0.000 2.290 724 E HA 0.137 4.486 4.350 -0.001 0.000 0.277 724 E C -0.546 176.082 176.600 0.046 0.000 1.035 724 E CA -0.011 56.438 56.400 0.083 0.000 0.873 724 E CB 0.290 30.019 29.700 0.047 0.000 1.029 724 E HN 0.661 nan 8.360 nan 0.000 0.419 725 N N 2.768 121.511 118.700 0.072 0.000 2.455 725 N HA -0.006 4.733 4.740 -0.001 0.000 0.258 725 N C 0.463 176.004 175.510 0.052 0.000 1.158 725 N CA 0.052 53.081 53.050 -0.036 0.000 0.893 725 N CB 0.374 38.711 38.487 -0.250 0.000 1.173 725 N HN 0.351 nan 8.380 nan 0.000 0.503 726 S N -0.566 115.174 115.700 0.067 0.000 2.556 726 S HA 0.162 4.631 4.470 -0.001 0.000 0.216 726 S C 1.649 176.257 174.600 0.012 0.000 0.970 726 S CA -0.373 57.875 58.200 0.080 0.000 0.912 726 S CB 0.261 63.532 63.200 0.117 0.000 0.790 726 S HN 0.160 nan 8.310 nan 0.000 0.504 727 R N 2.732 123.216 120.500 -0.027 0.000 2.152 727 R HA -0.053 4.287 4.340 -0.001 0.000 0.232 727 R C 1.317 177.551 176.300 -0.110 0.000 1.117 727 R CA 1.499 57.560 56.100 -0.066 0.000 0.981 727 R CB -0.910 29.345 30.300 -0.075 0.000 0.870 727 R HN 0.774 nan 8.270 nan 0.000 0.451 728 D N -0.259 120.078 120.400 -0.105 0.000 2.363 728 D HA -0.060 4.580 4.640 -0.001 0.000 0.226 728 D C 0.488 176.720 176.300 -0.114 0.000 1.020 728 D CA 0.147 54.074 54.000 -0.122 0.000 0.892 728 D CB -0.389 40.340 40.800 -0.119 0.000 0.900 728 D HN -0.126 nan 8.370 nan 0.000 0.531 729 T N 0.444 114.947 114.554 -0.085 0.000 2.926 729 T HA 0.130 4.480 4.350 -0.001 0.000 0.307 729 T C 1.530 176.179 174.700 -0.084 0.000 1.059 729 T CA 0.529 62.593 62.100 -0.058 0.000 1.122 729 T CB 1.155 70.021 68.868 -0.002 0.000 0.972 729 T HN 0.237 nan 8.240 nan 0.000 0.545 730 T N 1.577 116.117 114.554 -0.023 0.000 3.113 730 T HA 0.091 4.441 4.350 -0.001 0.000 0.256 730 T C 0.785 175.572 174.700 0.145 0.000 1.131 730 T CA 0.157 62.279 62.100 0.035 0.000 1.074 730 T CB 0.135 69.071 68.868 0.113 0.000 0.944 730 T HN 0.519 nan 8.240 nan 0.000 0.516 731 Q N 2.957 122.836 119.800 0.131 0.000 3.184 731 Q HA 0.295 4.634 4.340 -0.001 0.000 0.288 731 Q C 0.021 176.170 176.000 0.248 0.000 1.412 731 Q CA 0.097 56.027 55.803 0.212 0.000 0.991 731 Q CB -0.312 28.531 28.738 0.176 0.000 1.688 731 Q HN 0.900 nan 8.270 nan 0.000 0.554 732 Q N -2.246 117.748 119.800 0.324 0.000 2.630 732 Q HA 0.735 5.074 4.340 -0.001 0.000 0.295 732 Q C -1.510 174.802 176.000 0.520 0.000 0.944 732 Q CA -0.935 55.068 55.803 0.333 0.000 0.766 732 Q CB 1.616 30.456 28.738 0.169 0.000 1.471 732 Q HN 0.037 nan 8.270 nan 0.000 0.416 733 V N 1.298 121.496 119.914 0.473 0.000 2.876 733 V HA 0.766 4.886 4.120 -0.001 0.000 0.312 733 V C -1.998 174.374 176.094 0.463 0.000 1.085 733 V CA -0.713 61.861 62.300 0.457 0.000 0.945 733 V CB 2.039 34.104 31.823 0.403 0.000 1.017 733 V HN 0.798 nan 8.190 nan 0.000 0.428 734 F N 7.293 127.334 119.950 0.151 0.000 2.500 734 F HA 0.552 5.079 4.527 -0.000 0.000 0.349 734 F C -1.374 174.381 175.800 -0.074 0.000 1.127 734 F CA -0.782 57.271 58.000 0.088 0.000 0.998 734 F CB 1.070 40.141 39.000 0.117 0.000 1.237 734 F HN 0.677 nan 8.300 nan 0.000 0.439 735 Y N 5.931 125.896 120.300 -0.558 0.000 2.330 735 Y HA 0.609 5.159 4.550 -0.001 0.000 0.336 735 Y C -0.535 174.872 175.900 -0.821 0.000 1.036 735 Y CA -0.377 57.228 58.100 -0.825 0.000 1.125 735 Y CB 1.330 39.228 38.460 -0.936 0.000 1.194 735 Y HN 0.618 nan 8.280 nan 0.000 0.469 736 T N 3.234 116.977 114.554 -1.352 0.000 2.906 736 T HA 0.417 4.767 4.350 -0.001 0.000 0.295 736 T C -1.788 172.347 174.700 -0.941 0.000 1.061 736 T CA -0.780 60.767 62.100 -0.921 0.000 1.000 736 T CB 1.695 70.164 68.868 -0.665 0.000 1.103 736 T HN 0.624 nan 8.240 nan 0.000 0.486 737 Y N 1.261 121.214 120.300 -0.579 0.000 2.376 737 Y HA 0.499 5.048 4.550 -0.001 0.000 0.340 737 Y C -0.998 174.775 175.900 -0.212 0.000 0.965 737 Y CA -1.118 56.757 58.100 -0.375 0.000 1.078 737 Y CB 1.760 40.126 38.460 -0.156 0.000 1.193 737 Y HN 0.811 nan 8.280 nan 0.000 0.452 738 D N 4.621 124.529 120.400 -0.819 0.000 2.396 738 D HA 0.120 4.760 4.640 -0.001 0.000 0.225 738 D C 0.078 176.005 176.300 -0.621 0.000 1.121 738 D CA -0.063 53.608 54.000 -0.549 0.000 0.853 738 D CB 1.036 41.600 40.800 -0.394 0.000 1.043 738 D HN 0.703 nan 8.370 nan 0.000 0.500 739 D N 3.051 123.282 120.400 -0.282 0.000 2.182 739 D HA -0.172 4.468 4.640 -0.001 0.000 0.201 739 D C 1.381 177.625 176.300 -0.093 0.000 0.986 739 D CA 1.238 55.181 54.000 -0.095 0.000 0.847 739 D CB 0.343 41.143 40.800 -0.001 0.000 0.942 739 D HN 0.624 nan 8.370 nan 0.000 0.467 740 E N -0.142 119.985 120.200 -0.122 0.000 2.011 740 E HA -0.090 4.260 4.350 -0.001 0.000 0.191 740 E C 2.260 178.798 176.600 -0.104 0.000 0.980 740 E CA 1.534 57.883 56.400 -0.085 0.000 0.814 740 E CB -0.240 29.415 29.700 -0.075 0.000 0.775 740 E HN 0.348 nan 8.360 nan 0.000 0.454 741 T N -1.079 113.384 114.554 -0.151 0.000 2.915 741 T HA -0.132 4.218 4.350 -0.001 0.000 0.269 741 T C 0.575 175.183 174.700 -0.153 0.000 1.071 741 T CA 1.099 63.116 62.100 -0.139 0.000 1.132 741 T CB -0.259 68.521 68.868 -0.147 0.000 0.878 741 T HN 0.254 nan 8.240 nan 0.000 0.479 742 E N 0.385 120.410 120.200 -0.291 0.000 2.759 742 E HA -0.160 4.189 4.350 -0.001 0.000 0.280 742 E C -0.261 176.186 176.600 -0.254 0.000 1.009 742 E CA 0.461 56.709 56.400 -0.253 0.000 0.849 742 E CB -1.712 28.035 29.700 0.079 0.000 1.415 742 E HN 0.810 nan 8.360 nan 0.000 0.412 743 E N 0.581 120.521 120.200 -0.433 0.000 2.175 743 E HA 0.370 4.719 4.350 -0.001 0.000 0.278 743 E C -0.779 175.641 176.600 -0.300 0.000 0.969 743 E CA -0.336 55.924 56.400 -0.234 0.000 0.796 743 E CB 1.194 30.786 29.700 -0.179 0.000 1.104 743 E HN 0.007 nan 8.360 nan 0.000 0.395 744 S N 3.351 119.002 115.700 -0.081 0.000 2.585 744 S HA 0.314 4.783 4.470 -0.001 0.000 0.277 744 S C -0.422 174.010 174.600 -0.281 0.000 1.241 744 S CA -0.768 57.309 58.200 -0.205 0.000 1.041 744 S CB 0.840 64.074 63.200 0.057 0.000 0.987 744 S HN 0.540 nan 8.310 nan 0.000 0.512 745 N N 0.853 119.208 118.700 -0.574 0.000 2.249 745 N HA 0.338 5.078 4.740 -0.001 0.000 0.296 745 N C -2.172 172.985 175.510 -0.589 0.000 1.051 745 N CA -0.479 52.338 53.050 -0.389 0.000 0.815 745 N CB 1.219 39.515 38.487 -0.319 0.000 1.487 745 N HN 0.534 nan 8.380 nan 0.000 0.475 746 W N 1.850 122.982 121.300 -0.281 0.000 2.471 746 W HA 0.302 4.962 4.660 -0.001 0.000 0.318 746 W C -0.049 176.130 176.519 -0.568 0.000 1.034 746 W CA -0.582 56.495 57.345 -0.446 0.000 1.224 746 W CB 1.287 30.488 29.460 -0.431 0.000 1.335 746 W HN 0.441 nan 8.180 nan 0.000 0.452 747 E N 2.588 122.545 120.200 -0.405 0.000 2.113 747 E HA 0.385 4.735 4.350 -0.001 0.000 0.273 747 E C -0.817 175.497 176.600 -0.477 0.000 0.924 747 E CA -0.397 55.756 56.400 -0.413 0.000 0.764 747 E CB 0.376 29.846 29.700 -0.383 0.000 1.104 747 E HN 0.408 nan 8.360 nan 0.000 0.406 748 F N 3.415 123.374 119.950 0.016 0.000 2.661 748 F HA 0.209 4.736 4.527 -0.001 0.000 0.306 748 F C -0.228 175.741 175.800 0.282 0.000 1.094 748 F CA -0.531 57.612 58.000 0.239 0.000 1.254 748 F CB 0.034 39.242 39.000 0.346 0.000 1.040 748 F HN 0.515 nan 8.300 nan 0.000 0.562 749 Y N 0.517 120.999 120.300 0.303 0.000 3.108 749 Y HA -0.221 4.329 4.550 -0.001 0.000 0.208 749 Y C 1.448 177.462 175.900 0.191 0.000 1.245 749 Y CA 0.489 58.715 58.100 0.208 0.000 1.171 749 Y CB -1.801 36.764 38.460 0.174 0.000 1.331 749 Y HN 0.374 nan 8.280 nan 0.000 0.534 750 G N -0.797 108.165 108.800 0.271 0.000 2.175 750 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.244 750 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.244 750 G C -0.095 174.901 174.900 0.160 0.000 0.982 750 G CA -0.080 45.134 45.100 0.190 0.000 0.641 750 G HN 0.474 nan 8.290 nan 0.000 0.527 751 N N 1.355 120.192 118.700 0.227 0.000 2.457 751 N HA 0.360 5.100 4.740 -0.001 0.000 0.250 751 N C -1.540 173.992 175.510 0.036 0.000 0.982 751 N CA -0.335 52.772 53.050 0.095 0.000 0.941 751 N CB 1.607 40.174 38.487 0.134 0.000 1.120 751 N HN 0.225 nan 8.380 nan 0.000 0.505 752 D N 1.954 122.308 120.400 -0.077 0.000 2.380 752 D HA 0.100 4.740 4.640 -0.001 0.000 0.230 752 D C 0.141 176.331 176.300 -0.183 0.000 1.154 752 D CA -0.470 53.486 54.000 -0.072 0.000 0.859 752 D CB 0.349 41.129 40.800 -0.035 0.000 1.045 752 D HN 0.432 nan 8.370 nan 0.000 0.495 753 W N 2.392 123.491 121.300 -0.335 0.000 3.180 753 W HA 0.096 4.756 4.660 -0.000 0.000 0.254 753 W C 0.940 177.332 176.519 -0.213 0.000 1.318 753 W CA -0.267 56.890 57.345 -0.312 0.000 1.608 753 W CB -0.165 28.990 29.460 -0.509 0.000 1.124 753 W HN 0.218 nan 8.180 nan 0.000 0.694 754 S N 0.760 116.457 115.700 -0.004 0.000 2.563 754 S HA 0.025 4.495 4.470 -0.001 0.000 0.284 754 S C 0.756 175.348 174.600 -0.014 0.000 1.331 754 S CA -0.280 57.914 58.200 -0.009 0.000 1.047 754 S CB 0.441 63.633 63.200 -0.014 0.000 0.859 754 S HN -0.011 nan 8.310 nan 0.000 0.514 755 S N 1.770 117.466 115.700 -0.006 0.000 2.558 755 S HA 0.221 4.690 4.470 -0.001 0.000 0.293 755 S C 0.396 174.984 174.600 -0.020 0.000 1.292 755 S CA -0.441 57.753 58.200 -0.009 0.000 1.063 755 S CB -0.754 62.443 63.200 -0.005 0.000 0.831 755 S HN 0.910 nan 8.310 nan 0.000 0.499 756 c N 0.985 119.569 118.600 -0.027 0.000 3.086 756 c HA 0.921 5.490 4.570 -0.001 0.000 0.311 756 c C 0.354 174.428 174.090 -0.027 0.000 1.260 756 c CA -1.017 55.294 56.329 -0.030 0.000 1.426 756 c CB 0.651 43.135 42.510 -0.044 0.000 1.826 756 c HN 0.874 nan 8.230 nan 0.000 0.474 757 G N 0.757 109.544 108.800 -0.023 0.000 2.395 757 G HA2 0.623 4.583 3.960 -0.001 0.000 0.283 757 G HA3 0.623 4.583 3.960 -0.001 0.000 0.283 757 G C -1.407 173.479 174.900 -0.023 0.000 1.178 757 G CA -0.297 44.791 45.100 -0.020 0.000 0.837 757 G HN 1.056 nan 8.290 nan 0.000 0.518 758 L N 0.407 121.617 121.223 -0.021 0.000 2.424 758 L HA 0.532 4.872 4.340 -0.001 0.000 0.258 758 L C -0.935 175.925 176.870 -0.018 0.000 0.995 758 L CA -0.818 54.009 54.840 -0.023 0.000 0.821 758 L CB 2.443 44.485 42.059 -0.029 0.000 1.383 758 L HN 0.350 nan 8.230 nan 0.000 0.410 759 E N 2.145 122.335 120.200 -0.017 0.000 2.229 759 E HA 0.330 4.680 4.350 -0.001 0.000 0.283 759 E C -0.994 175.596 176.600 -0.016 0.000 1.030 759 E CA -0.323 56.069 56.400 -0.013 0.000 0.836 759 E CB 1.682 31.375 29.700 -0.011 0.000 1.068 759 E HN 0.330 nan 8.360 nan 0.000 0.401 760 V N 6.599 126.504 119.914 -0.014 0.000 2.372 760 V HA 0.180 4.299 4.120 -0.001 0.000 0.261 760 V C -1.613 174.470 176.094 -0.018 0.000 1.055 760 V CA -1.276 61.013 62.300 -0.018 0.000 0.930 760 V CB 0.297 32.110 31.823 -0.016 0.000 1.031 760 V HN 0.503 nan 8.190 nan 0.000 0.479 761 P HA 0.304 nan 4.420 nan 0.000 0.282 761 P C -0.370 176.904 177.300 -0.042 0.000 1.249 761 P CA -0.598 62.485 63.100 -0.028 0.000 0.806 761 P CB 1.207 32.887 31.700 -0.034 0.000 0.984 762 E N 3.038 123.220 120.200 -0.031 0.000 2.344 762 E HA 0.154 4.503 4.350 -0.001 0.000 0.270 762 E C -1.808 174.682 176.600 -0.184 0.000 1.021 762 E CA -1.600 54.772 56.400 -0.048 0.000 0.887 762 E CB 0.040 29.761 29.700 0.036 0.000 0.997 762 E HN 0.292 nan 8.360 nan 0.000 0.429 763 P HA -0.042 nan 4.420 nan 0.000 0.269 763 P C -0.834 176.114 177.300 -0.587 0.000 1.217 763 P CA 0.169 62.923 63.100 -0.578 0.000 0.783 763 P CB 0.260 31.354 31.700 -1.010 0.000 0.898 764 N N 0.270 118.756 118.700 -0.357 0.000 3.115 764 N HA 0.044 4.784 4.740 -0.001 0.000 0.305 764 N C 0.428 175.855 175.510 -0.139 0.000 1.305 764 N CA -0.170 52.761 53.050 -0.197 0.000 1.154 764 N CB -0.950 37.470 38.487 -0.112 0.000 1.454 764 N HN 0.291 nan 8.380 nan 0.000 0.551 765 F N 1.195 121.160 119.950 0.026 0.000 2.192 765 F HA -0.275 4.252 4.527 -0.001 0.000 0.301 765 F C 2.723 178.568 175.800 0.074 0.000 1.079 765 F CA 0.825 58.855 58.000 0.049 0.000 1.303 765 F CB -0.109 38.925 39.000 0.057 0.000 1.024 765 F HN 0.411 nan 8.300 nan 0.000 0.494 766 E N 0.425 120.755 120.200 0.217 0.000 2.265 766 E HA -0.229 4.120 4.350 -0.001 0.000 0.196 766 E C 0.868 177.531 176.600 0.104 0.000 0.996 766 E CA 1.611 58.097 56.400 0.144 0.000 0.832 766 E CB -0.630 29.128 29.700 0.096 0.000 0.756 766 E HN 0.379 nan 8.360 nan 0.000 0.491 767 D N -0.201 120.245 120.400 0.076 0.000 2.347 767 D HA -0.043 4.597 4.640 -0.001 0.000 0.213 767 D C -0.246 176.096 176.300 0.069 0.000 0.985 767 D CA 0.345 54.365 54.000 0.033 0.000 0.879 767 D CB -0.320 40.456 40.800 -0.039 0.000 0.919 767 D HN 0.246 nan 8.370 nan 0.000 0.526 768 Y N 1.199 121.506 120.300 0.012 0.000 2.383 768 Y HA 0.330 4.880 4.550 -0.000 0.000 0.344 768 Y C -0.421 175.523 175.900 0.073 0.000 0.986 768 Y CA -0.112 58.009 58.100 0.035 0.000 1.175 768 Y CB 0.893 39.394 38.460 0.068 0.000 1.152 768 Y HN -0.348 nan 8.280 nan 0.000 0.511 769 T N 6.523 120.811 114.554 -0.443 0.000 2.876 769 T HA 0.161 4.511 4.350 -0.001 0.000 0.289 769 T C -1.441 172.952 174.700 -0.512 0.000 1.014 769 T CA -0.532 61.356 62.100 -0.354 0.000 0.986 769 T CB 0.672 69.476 68.868 -0.106 0.000 1.021 769 T HN 0.525 nan 8.240 nan 0.000 0.458 770 Y N 2.112 122.192 120.300 -0.367 0.000 2.702 770 Y HA 0.388 4.937 4.550 -0.001 0.000 0.336 770 Y C 0.759 176.678 175.900 0.031 0.000 1.235 770 Y CA 1.811 59.824 58.100 -0.145 0.000 1.492 770 Y CB -0.043 38.415 38.460 -0.005 0.000 1.308 770 Y HN 1.046 nan 8.280 nan 0.000 0.589 771 G N 4.548 113.084 108.800 -0.440 0.000 2.362 771 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.656 771 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.656 771 G C -1.139 173.635 174.900 -0.210 0.000 1.376 771 G CA -1.098 43.885 45.100 -0.196 0.000 0.971 771 G HN 0.731 nan 8.290 nan 0.000 0.636 772 R N 0.723 121.041 120.500 -0.304 0.000 4.141 772 R HA 0.509 4.849 4.340 -0.001 0.000 0.281 772 R C 0.918 177.177 176.300 -0.068 0.000 1.608 772 R CA 0.581 56.454 56.100 -0.378 0.000 1.426 772 R CB 0.109 30.108 30.300 -0.502 0.000 1.432 772 R HN 2.108 nan 8.270 nan 0.000 0.708 773 G N 0.197 108.996 108.800 -0.002 0.000 2.663 773 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.686 773 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.686 773 G C -0.550 174.423 174.900 0.121 0.000 1.246 773 G CA -1.089 44.074 45.100 0.106 0.000 0.795 773 G HN 0.133 nan 8.290 nan 0.000 0.627 774 T N 1.832 116.434 114.554 0.079 0.000 2.744 774 T HA 0.739 5.089 4.350 -0.001 0.000 0.291 774 T C 1.113 175.801 174.700 -0.021 0.000 0.957 774 T CA 0.821 62.942 62.100 0.034 0.000 1.002 774 T CB 0.838 69.728 68.868 0.038 0.000 0.919 774 T HN 1.225 nan 8.240 nan 0.000 0.468 775 R N 0.000 120.428 120.500 -0.121 0.000 2.786 775 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 775 R CA 0.000 55.935 56.100 -0.276 0.000 0.921 775 R CB 0.000 30.056 30.300 -0.406 0.000 0.687 775 R HN 0.000 nan 8.270 nan 0.000 0.535