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 1sc6_1_C DATA FIRST_RESID 9 DATA SEQUENCE DKIKFLLVEG VHQKALESLR AAGYTNIEFH KGALDDEQLK ESIRDAHFIG DATA SEQUENCE LRSRTHLTED VINAAEKLVA IGAFAIGTNQ VDLDAAAKRG IPVFNAPFSN DATA SEQUENCE TRSVAELVIG ELLLLLRGVP EANAKAHRGV GNXXXXGSFE ARGKKLGIIG DATA SEQUENCE YGHIGTQLGI LAESLGXYVY FYDIENKLPL GNATQVQHLS DLLNXSDVVS DATA SEQUENCE LHVPENPSTK NXXGAKEISL XKPGSLLINA SRGTVVDIPA LADALASKHL DATA SEQUENCE AGAAIDVXXX XXXXXXXXXX SPLAEFDNVL LTPXXXXXXX EAQENIGLEV DATA SEQUENCE AGKLIKYSDN GSTLSAVNFP EVSLPLHGGR RLXHIHENRP GVLTALNKIF DATA SEQUENCE AEQGVNIAAQ YLQTSAQXGY VVIDIEADED VAEKALQAXK AIPGTIRARL DATA SEQUENCE LY 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 9 D HA 0.000 nan 4.640 nan 0.000 0.175 9 D C 0.000 176.282 176.300 -0.030 0.000 2.045 9 D CA 0.000 53.981 54.000 -0.032 0.000 0.868 9 D CB 0.000 40.755 40.800 -0.075 0.000 0.688 10 K N 1.528 121.887 120.400 -0.069 0.000 2.684 10 K HA 0.251 4.571 4.320 -0.000 0.000 0.215 10 K C -0.241 176.148 176.600 -0.352 0.000 1.073 10 K CA -0.161 56.056 56.287 -0.116 0.000 1.197 10 K CB 0.005 32.465 32.500 -0.067 0.000 0.955 10 K HN 0.294 nan 8.250 nan 0.000 0.473 11 I N 2.144 122.537 120.570 -0.294 0.000 2.293 11 I HA 0.100 4.269 4.170 -0.000 0.000 0.299 11 I C 0.286 176.297 176.117 -0.177 0.000 1.153 11 I CA -0.181 60.835 61.300 -0.474 0.000 1.302 11 I CB -0.320 37.748 38.000 0.114 0.000 1.460 11 I HN 0.153 nan 8.210 nan 0.000 0.552 12 K N 5.777 126.029 120.400 -0.247 0.000 2.298 12 K HA 0.282 4.602 4.320 -0.000 0.000 0.280 12 K C -1.316 175.294 176.600 0.017 0.000 1.032 12 K CA -0.174 56.123 56.287 0.017 0.000 0.958 12 K CB 0.589 33.115 32.500 0.044 0.000 0.978 12 K HN 0.206 nan 8.250 nan 0.000 0.472 13 F N 5.138 125.202 119.950 0.190 0.000 2.382 13 F HA 0.246 4.773 4.527 -0.000 0.000 0.361 13 F C -0.300 175.600 175.800 0.166 0.000 1.109 13 F CA -1.009 57.122 58.000 0.217 0.000 1.031 13 F CB 1.187 40.292 39.000 0.177 0.000 1.234 13 F HN 0.357 nan 8.300 nan 0.000 0.445 14 L N 6.001 127.398 121.223 0.290 0.000 2.260 14 L HA 0.551 4.891 4.340 -0.000 0.000 0.289 14 L C -1.259 175.726 176.870 0.190 0.000 1.057 14 L CA -0.214 54.754 54.840 0.214 0.000 0.811 14 L CB 0.335 42.476 42.059 0.137 0.000 1.184 14 L HN 0.452 nan 8.230 nan 0.000 0.429 15 L N 6.771 128.092 121.223 0.164 0.000 2.333 15 L HA 0.711 5.051 4.340 -0.000 0.000 0.280 15 L C -0.326 176.508 176.870 -0.060 0.000 1.004 15 L CA -0.893 53.980 54.840 0.055 0.000 0.820 15 L CB 1.781 43.898 42.059 0.097 0.000 1.247 15 L HN 0.548 nan 8.230 nan 0.000 0.416 16 V N -0.895 118.957 119.914 -0.104 0.000 3.158 16 V HA 0.571 4.690 4.120 -0.000 0.000 0.315 16 V C 0.219 176.214 176.094 -0.166 0.000 1.148 16 V CA -0.623 61.584 62.300 -0.154 0.000 1.042 16 V CB 1.691 33.447 31.823 -0.111 0.000 1.101 16 V HN 0.890 nan 8.190 nan 0.000 0.448 17 E N 0.379 120.488 120.200 -0.152 0.000 3.170 17 E HA -0.180 4.170 4.350 -0.000 0.000 0.284 17 E C 0.818 177.358 176.600 -0.100 0.000 0.967 17 E CA 0.663 57.004 56.400 -0.098 0.000 0.919 17 E CB -1.647 28.026 29.700 -0.044 0.000 1.469 17 E HN 2.233 nan 8.360 nan 0.000 0.444 18 G N 0.385 109.056 108.800 -0.214 0.000 2.331 18 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.254 18 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.254 18 G C 0.331 175.292 174.900 0.102 0.000 0.879 18 G CA 0.243 45.316 45.100 -0.044 0.000 1.287 18 G HN 0.868 nan 8.290 nan 0.000 0.383 19 V N 0.735 120.715 119.914 0.111 0.000 2.732 19 V HA 0.588 4.707 4.120 -0.000 0.000 0.297 19 V C 1.123 177.308 176.094 0.152 0.000 1.060 19 V CA -0.765 61.535 62.300 -0.000 0.000 1.038 19 V CB 1.214 32.779 31.823 -0.430 0.000 1.003 19 V HN 0.719 nan 8.190 nan 0.000 0.481 20 H N 2.358 121.440 119.070 0.020 0.000 3.016 20 H HA -0.016 4.540 4.556 -0.000 0.000 0.345 20 H C 1.214 176.521 175.328 -0.036 0.000 1.066 20 H CA 0.141 56.198 56.048 0.014 0.000 1.390 20 H CB 0.805 30.586 29.762 0.032 0.000 1.344 20 H HN 0.840 nan 8.280 nan 0.000 0.605 21 Q N 3.084 123.004 119.800 0.201 0.000 2.248 21 Q HA -0.192 4.148 4.340 -0.000 0.000 0.208 21 Q C 1.774 177.642 176.000 -0.220 0.000 0.984 21 Q CA 1.544 57.296 55.803 -0.085 0.000 0.875 21 Q CB 0.016 28.727 28.738 -0.044 0.000 0.910 21 Q HN 0.554 nan 8.270 nan 0.000 0.433 22 K N 0.273 120.412 120.400 -0.435 0.000 2.103 22 K HA -0.091 4.228 4.320 -0.000 0.000 0.207 22 K C 1.885 178.389 176.600 -0.159 0.000 1.048 22 K CA 1.235 57.323 56.287 -0.331 0.000 0.930 22 K CB -0.676 31.561 32.500 -0.437 0.000 0.716 22 K HN 0.227 nan 8.250 nan 0.000 0.444 23 A N 0.929 123.696 122.820 -0.087 0.000 1.908 23 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 23 A C 1.975 179.494 177.584 -0.108 0.000 1.181 23 A CA 1.308 53.336 52.037 -0.015 0.000 0.627 23 A CB -0.549 18.457 19.000 0.009 0.000 0.818 23 A HN 0.127 nan 8.150 nan 0.000 0.445 24 L N 0.035 121.176 121.223 -0.137 0.000 2.046 24 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 24 L C 2.649 179.431 176.870 -0.146 0.000 1.077 24 L CA 1.820 56.565 54.840 -0.158 0.000 0.747 24 L CB -1.655 40.295 42.059 -0.181 0.000 0.896 24 L HN 0.513 nan 8.230 nan 0.000 0.432 25 E N 0.079 120.196 120.200 -0.138 0.000 2.033 25 E HA -0.187 4.163 4.350 -0.000 0.000 0.199 25 E C 2.227 178.765 176.600 -0.104 0.000 1.011 25 E CA 1.523 57.853 56.400 -0.117 0.000 0.815 25 E CB -0.419 29.208 29.700 -0.122 0.000 0.755 25 E HN 0.357 nan 8.360 nan 0.000 0.451 26 S N 1.609 117.244 115.700 -0.108 0.000 2.369 26 S HA -0.170 4.300 4.470 -0.000 0.000 0.225 26 S C 2.252 176.783 174.600 -0.114 0.000 1.043 26 S CA 1.247 59.388 58.200 -0.098 0.000 1.074 26 S CB -0.532 62.611 63.200 -0.094 0.000 0.962 26 S HN 0.184 nan 8.310 nan 0.000 0.433 27 L N 0.877 121.989 121.223 -0.185 0.000 2.013 27 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 27 L C 2.754 179.568 176.870 -0.094 0.000 1.073 27 L CA 1.608 56.290 54.840 -0.264 0.000 0.753 27 L CB -0.585 41.151 42.059 -0.538 0.000 0.890 27 L HN 0.273 nan 8.230 nan 0.000 0.432 28 R N -0.078 120.366 120.500 -0.094 0.000 2.083 28 R HA -0.166 4.174 4.340 -0.000 0.000 0.237 28 R C 2.429 178.715 176.300 -0.022 0.000 1.137 28 R CA 1.350 57.423 56.100 -0.045 0.000 0.951 28 R CB -0.677 29.586 30.300 -0.060 0.000 0.851 28 R HN 0.383 nan 8.270 nan 0.000 0.434 29 A N 1.192 123.992 122.820 -0.034 0.000 2.042 29 A HA -0.175 4.144 4.320 -0.000 0.000 0.222 29 A C 1.939 179.525 177.584 0.004 0.000 1.167 29 A CA 1.905 53.929 52.037 -0.022 0.000 0.649 29 A CB -0.448 18.532 19.000 -0.032 0.000 0.809 29 A HN 0.423 nan 8.150 nan 0.000 0.457 30 A N -2.161 120.687 122.820 0.046 0.000 2.577 30 A HA 0.479 4.799 4.320 -0.000 0.000 0.280 30 A C 1.735 179.338 177.584 0.033 0.000 1.331 30 A CA 0.835 52.933 52.037 0.102 0.000 0.935 30 A CB -1.059 18.102 19.000 0.267 0.000 1.082 30 A HN 1.859 nan 8.150 nan 0.000 0.525 31 G N -0.687 108.105 108.800 -0.013 0.000 2.480 31 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.246 31 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.246 31 G C 0.297 175.165 174.900 -0.053 0.000 1.073 31 G CA 0.561 45.618 45.100 -0.072 0.000 0.643 31 G HN 0.567 nan 8.290 nan 0.000 0.525 32 Y N 3.868 124.181 120.300 0.021 0.000 2.813 32 Y HA 0.239 4.789 4.550 -0.000 0.000 0.394 32 Y C 1.774 177.687 175.900 0.023 0.000 1.407 32 Y CA 1.036 59.185 58.100 0.081 0.000 1.878 32 Y CB -0.548 37.952 38.460 0.067 0.000 1.310 32 Y HN 0.306 nan 8.280 nan 0.000 0.470 33 T N 1.163 115.817 114.554 0.166 0.000 2.902 33 T HA 0.237 4.587 4.350 -0.000 0.000 0.287 33 T C 0.167 174.987 174.700 0.200 0.000 1.048 33 T CA -1.024 61.145 62.100 0.115 0.000 0.941 33 T CB 0.553 69.454 68.868 0.056 0.000 1.432 33 T HN 0.564 nan 8.240 nan 0.000 0.586 34 N N 0.691 119.477 118.700 0.143 0.000 2.483 34 N HA -0.150 4.589 4.740 -0.000 0.000 0.280 34 N C -1.550 174.104 175.510 0.239 0.000 1.315 34 N CA 0.124 53.273 53.050 0.165 0.000 0.637 34 N CB -1.321 37.265 38.487 0.165 0.000 0.893 34 N HN 0.648 nan 8.380 nan 0.000 0.535 35 I N 1.839 122.513 120.570 0.173 0.000 2.503 35 I HA 0.142 4.312 4.170 -0.000 0.000 0.282 35 I C 0.376 176.597 176.117 0.174 0.000 1.059 35 I CA -0.586 60.833 61.300 0.199 0.000 1.081 35 I CB 1.613 39.684 38.000 0.118 0.000 1.210 35 I HN 0.288 nan 8.210 nan 0.000 0.450 36 E N 6.721 127.039 120.200 0.197 0.000 2.052 36 E HA 0.197 4.547 4.350 -0.000 0.000 0.283 36 E C -1.374 175.348 176.600 0.205 0.000 1.071 36 E CA -0.441 56.059 56.400 0.167 0.000 0.851 36 E CB 0.755 30.569 29.700 0.190 0.000 1.066 36 E HN 0.407 nan 8.360 nan 0.000 0.396 37 F N 4.039 123.958 119.950 -0.051 0.000 2.397 37 F HA 0.358 4.885 4.527 -0.000 0.000 0.331 37 F C -0.937 174.714 175.800 -0.247 0.000 1.090 37 F CA -0.419 57.542 58.000 -0.064 0.000 1.065 37 F CB 1.024 39.980 39.000 -0.073 0.000 1.184 37 F HN 0.506 nan 8.300 nan 0.000 0.499 38 H N 4.185 122.705 119.070 -0.917 0.000 3.239 38 H HA 0.205 4.760 4.556 -0.000 0.000 0.320 38 H C 0.432 175.238 175.328 -0.870 0.000 1.074 38 H CA -0.590 55.079 56.048 -0.632 0.000 1.553 38 H CB 1.406 30.986 29.762 -0.304 0.000 1.752 38 H HN 0.633 nan 8.280 nan 0.000 0.513 39 K N 1.450 121.486 120.400 -0.606 0.000 2.286 39 K HA -0.037 4.283 4.320 -0.000 0.000 0.203 39 K C 0.756 177.261 176.600 -0.158 0.000 1.045 39 K CA 1.340 57.447 56.287 -0.299 0.000 0.935 39 K CB 0.364 32.878 32.500 0.024 0.000 0.737 39 K HN 0.451 nan 8.250 nan 0.000 0.460 40 G N 0.021 108.755 108.800 -0.110 0.000 2.667 40 G HA2 0.612 4.572 3.960 -0.000 0.000 0.310 40 G HA3 0.612 4.572 3.960 -0.000 0.000 0.310 40 G C -1.440 173.418 174.900 -0.070 0.000 1.259 40 G CA -0.756 44.308 45.100 -0.060 0.000 1.019 40 G HN 0.310 nan 8.290 nan 0.000 0.496 41 A N -0.318 122.472 122.820 -0.051 0.000 2.301 41 A HA 0.664 4.984 4.320 -0.000 0.000 0.298 41 A C 0.214 177.755 177.584 -0.071 0.000 1.185 41 A CA -0.418 51.586 52.037 -0.055 0.000 0.830 41 A CB 0.190 19.181 19.000 -0.014 0.000 1.112 41 A HN 0.555 nan 8.150 nan 0.000 0.508 42 L N 1.579 122.730 121.223 -0.119 0.000 2.456 42 L HA 0.387 4.727 4.340 -0.000 0.000 0.257 42 L C 0.232 177.055 176.870 -0.078 0.000 1.162 42 L CA -0.712 54.045 54.840 -0.137 0.000 0.808 42 L CB 0.895 42.809 42.059 -0.241 0.000 1.136 42 L HN 0.914 nan 8.230 nan 0.000 0.466 43 D N -2.111 118.246 120.400 -0.071 0.000 2.384 43 D HA 0.193 4.832 4.640 -0.000 0.000 0.250 43 D C 0.370 176.638 176.300 -0.052 0.000 1.029 43 D CA -0.577 53.390 54.000 -0.056 0.000 0.990 43 D CB 0.757 41.526 40.800 -0.052 0.000 1.175 43 D HN 0.630 nan 8.370 nan 0.000 0.532 44 D N -0.161 120.210 120.400 -0.049 0.000 2.242 44 D HA -0.403 4.237 4.640 -0.000 0.000 0.190 44 D C 1.453 177.732 176.300 -0.035 0.000 1.012 44 D CA 2.097 56.073 54.000 -0.039 0.000 0.875 44 D CB -0.259 40.515 40.800 -0.044 0.000 0.922 44 D HN 0.499 nan 8.370 nan 0.000 0.448 45 E N -0.254 119.925 120.200 -0.035 0.000 2.015 45 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 45 E C 2.165 178.746 176.600 -0.030 0.000 0.991 45 E CA 1.267 57.650 56.400 -0.028 0.000 0.802 45 E CB -0.330 29.356 29.700 -0.024 0.000 0.759 45 E HN 0.216 nan 8.360 nan 0.000 0.447 46 Q N -0.174 119.602 119.800 -0.040 0.000 2.119 46 Q HA -0.090 4.249 4.340 -0.000 0.000 0.201 46 Q C 2.273 178.231 176.000 -0.069 0.000 0.972 46 Q CA 0.954 56.727 55.803 -0.050 0.000 0.847 46 Q CB -0.432 28.267 28.738 -0.065 0.000 0.903 46 Q HN 0.342 nan 8.270 nan 0.000 0.433 47 L N 1.565 122.742 121.223 -0.077 0.000 1.990 47 L HA -0.220 4.119 4.340 -0.000 0.000 0.213 47 L C 1.978 178.820 176.870 -0.046 0.000 1.072 47 L CA 1.993 56.788 54.840 -0.076 0.000 0.755 47 L CB -0.452 41.574 42.059 -0.056 0.000 0.889 47 L HN 0.056 nan 8.230 nan 0.000 0.432 48 K N -0.638 119.742 120.400 -0.033 0.000 2.209 48 K HA -0.173 4.147 4.320 -0.000 0.000 0.204 48 K C 1.906 178.496 176.600 -0.017 0.000 1.048 48 K CA 1.641 57.915 56.287 -0.022 0.000 0.940 48 K CB -0.138 32.351 32.500 -0.019 0.000 0.729 48 K HN 0.552 nan 8.250 nan 0.000 0.451 49 E N 0.239 120.429 120.200 -0.018 0.000 2.028 49 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 49 E C 2.084 178.687 176.600 0.004 0.000 0.984 49 E CA 1.124 57.521 56.400 -0.005 0.000 0.800 49 E CB 0.066 29.764 29.700 -0.002 0.000 0.758 49 E HN 0.129 nan 8.360 nan 0.000 0.448 50 S N 0.982 116.679 115.700 -0.005 0.000 2.402 50 S HA -0.058 4.411 4.470 -0.000 0.000 0.229 50 S C 1.992 176.605 174.600 0.021 0.000 1.021 50 S CA 0.535 58.745 58.200 0.017 0.000 0.974 50 S CB -0.020 63.172 63.200 -0.013 0.000 0.800 50 S HN 0.207 nan 8.310 nan 0.000 0.484 51 I N 1.362 121.932 120.570 -0.000 0.000 3.059 51 I HA -0.023 4.147 4.170 -0.000 0.000 0.270 51 I C 2.436 178.552 176.117 -0.001 0.000 1.238 51 I CA 0.255 61.556 61.300 0.002 0.000 1.478 51 I CB -0.070 37.924 38.000 -0.010 0.000 1.097 51 I HN 0.185 nan 8.210 nan 0.000 0.455 52 R N 0.893 121.393 120.500 0.000 0.000 2.112 52 R HA -0.287 4.052 4.340 -0.000 0.000 0.242 52 R C 1.222 177.523 176.300 0.002 0.000 1.137 52 R CA 2.490 58.589 56.100 -0.002 0.000 0.944 52 R CB -0.231 30.070 30.300 0.003 0.000 0.857 52 R HN 0.327 nan 8.270 nan 0.000 0.435 53 D N -0.693 119.720 120.400 0.022 0.000 2.463 53 D HA 0.199 4.839 4.640 -0.000 0.000 0.224 53 D C -1.185 175.160 176.300 0.074 0.000 1.174 53 D CA -0.090 53.937 54.000 0.044 0.000 0.829 53 D CB 0.666 41.496 40.800 0.051 0.000 0.993 53 D HN 0.384 nan 8.370 nan 0.000 0.497 54 A N 0.091 122.935 122.820 0.041 0.000 2.362 54 A HA 0.312 4.632 4.320 -0.000 0.000 0.276 54 A C 0.412 177.989 177.584 -0.012 0.000 1.153 54 A CA -0.268 51.796 52.037 0.044 0.000 0.813 54 A CB 0.414 19.436 19.000 0.037 0.000 1.081 54 A HN 0.357 nan 8.150 nan 0.000 0.507 55 H N 1.511 120.440 119.070 -0.235 0.000 2.384 55 H HA 0.263 4.819 4.556 -0.000 0.000 0.300 55 H C -0.679 174.219 175.328 -0.717 0.000 1.057 55 H CA 1.499 57.252 56.048 -0.492 0.000 1.370 55 H CB 0.112 29.536 29.762 -0.564 0.000 1.417 55 H HN 0.601 nan 8.280 nan 0.000 0.527 56 F N -0.406 119.438 119.950 -0.176 0.000 2.556 56 F HA 0.360 4.886 4.527 -0.000 0.000 0.314 56 F C -0.598 175.220 175.800 0.030 0.000 1.106 56 F CA -1.003 56.922 58.000 -0.125 0.000 0.911 56 F CB 2.073 40.896 39.000 -0.295 0.000 1.190 56 F HN -0.155 nan 8.300 nan 0.000 0.448 57 I N 1.898 122.633 120.570 0.275 0.000 2.433 57 I HA 0.802 4.972 4.170 -0.000 0.000 0.292 57 I C -0.502 175.778 176.117 0.271 0.000 1.001 57 I CA -0.385 61.045 61.300 0.217 0.000 1.119 57 I CB 1.532 39.601 38.000 0.115 0.000 1.289 57 I HN 0.682 nan 8.210 nan 0.000 0.438 58 G N 8.623 117.568 108.800 0.242 0.000 2.487 58 G HA2 0.612 4.572 3.960 -0.000 0.000 0.314 58 G HA3 0.612 4.572 3.960 -0.000 0.000 0.314 58 G C -1.045 173.927 174.900 0.119 0.000 1.267 58 G CA -0.436 44.828 45.100 0.274 0.000 0.937 58 G HN 0.513 nan 8.290 nan 0.000 0.481 59 L N -0.484 120.861 121.223 0.204 0.000 2.301 59 L HA 0.753 5.093 4.340 -0.000 0.000 0.249 59 L C -0.405 176.543 176.870 0.131 0.000 1.069 59 L CA -1.281 53.617 54.840 0.097 0.000 0.865 59 L CB 1.035 43.130 42.059 0.059 0.000 1.467 59 L HN 0.521 nan 8.230 nan 0.000 0.419 60 R N -0.354 120.183 120.500 0.061 0.000 3.287 60 R HA 0.437 4.777 4.340 -0.000 0.000 0.221 60 R C 1.314 177.625 176.300 0.018 0.000 1.684 60 R CA 0.078 56.214 56.100 0.060 0.000 0.976 60 R CB 0.391 30.717 30.300 0.042 0.000 2.102 60 R HN 0.819 nan 8.270 nan 0.000 0.541 61 S N 0.162 115.865 115.700 0.004 0.000 2.607 61 S HA 0.016 4.485 4.470 -0.000 0.000 0.224 61 S C 1.401 175.970 174.600 -0.053 0.000 0.969 61 S CA 0.526 58.710 58.200 -0.027 0.000 0.927 61 S CB -0.048 63.142 63.200 -0.017 0.000 0.772 61 S HN 0.356 nan 8.310 nan 0.000 0.533 62 R N 0.492 120.975 120.500 -0.028 0.000 2.195 62 R HA 0.165 4.504 4.340 -0.000 0.000 0.197 62 R C 0.068 176.379 176.300 0.018 0.000 0.990 62 R CA 0.473 56.571 56.100 -0.004 0.000 1.048 62 R CB -0.272 30.051 30.300 0.037 0.000 0.997 62 R HN 0.283 nan 8.270 nan 0.000 0.502 63 T N 1.742 116.300 114.554 0.006 0.000 2.871 63 T HA -0.009 4.341 4.350 -0.000 0.000 0.296 63 T C -0.386 174.308 174.700 -0.009 0.000 0.998 63 T CA 0.435 62.562 62.100 0.044 0.000 1.162 63 T CB 0.270 69.143 68.868 0.009 0.000 0.947 63 T HN 0.159 nan 8.240 nan 0.000 0.536 64 H N 2.601 121.657 119.070 -0.022 0.000 2.788 64 H HA 0.315 4.871 4.556 -0.000 0.000 0.254 64 H C -0.190 175.125 175.328 -0.021 0.000 1.541 64 H CA -0.753 55.283 56.048 -0.020 0.000 1.295 64 H CB -0.092 29.658 29.762 -0.020 0.000 1.592 64 H HN 0.229 nan 8.280 nan 0.000 0.545 65 L N 3.683 124.924 121.223 0.030 0.000 2.404 65 L HA 0.126 4.466 4.340 -0.000 0.000 0.277 65 L C 0.632 177.509 176.870 0.011 0.000 1.184 65 L CA -0.159 54.690 54.840 0.015 0.000 1.013 65 L CB -0.957 41.099 42.059 -0.006 0.000 1.318 65 L HN 0.611 nan 8.230 nan 0.000 0.435 66 T N -1.011 113.559 114.554 0.026 0.000 2.788 66 T HA 0.143 4.493 4.350 -0.000 0.000 0.280 66 T C 1.032 175.732 174.700 0.001 0.000 0.984 66 T CA -0.057 62.054 62.100 0.018 0.000 0.972 66 T CB 0.725 69.609 68.868 0.026 0.000 1.039 66 T HN 0.607 nan 8.240 nan 0.000 0.530 67 E N 0.159 120.358 120.200 -0.003 0.000 2.118 67 E HA -0.221 4.128 4.350 -0.000 0.000 0.195 67 E C 1.317 177.911 176.600 -0.010 0.000 0.992 67 E CA 1.603 57.997 56.400 -0.010 0.000 0.804 67 E CB -0.143 29.552 29.700 -0.009 0.000 0.741 67 E HN 0.670 nan 8.360 nan 0.000 0.458 68 D N 0.089 120.485 120.400 -0.007 0.000 2.084 68 D HA -0.146 4.493 4.640 -0.000 0.000 0.194 68 D C 2.139 178.432 176.300 -0.011 0.000 0.990 68 D CA 1.375 55.369 54.000 -0.009 0.000 0.826 68 D CB -0.191 40.605 40.800 -0.008 0.000 0.971 68 D HN 0.154 nan 8.370 nan 0.000 0.453 69 V N 1.652 121.561 119.914 -0.008 0.000 2.343 69 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 69 V C 2.593 178.677 176.094 -0.017 0.000 1.051 69 V CA 1.164 63.458 62.300 -0.011 0.000 1.036 69 V CB -0.432 31.388 31.823 -0.005 0.000 0.654 69 V HN 0.161 nan 8.190 nan 0.000 0.451 70 I N 0.386 120.945 120.570 -0.019 0.000 2.179 70 I HA -0.207 3.963 4.170 -0.000 0.000 0.242 70 I C 2.433 178.531 176.117 -0.031 0.000 1.088 70 I CA 1.429 62.712 61.300 -0.028 0.000 1.357 70 I CB -0.550 37.431 38.000 -0.030 0.000 1.051 70 I HN 0.345 nan 8.210 nan 0.000 0.409 71 N N 1.179 119.864 118.700 -0.025 0.000 2.205 71 N HA -0.154 4.585 4.740 -0.000 0.000 0.186 71 N C 1.908 177.402 175.510 -0.025 0.000 1.015 71 N CA 1.567 54.602 53.050 -0.025 0.000 0.862 71 N CB -0.289 38.187 38.487 -0.019 0.000 0.986 71 N HN 0.369 nan 8.380 nan 0.000 0.429 72 A N 1.277 124.083 122.820 -0.023 0.000 1.940 72 A HA 0.089 4.409 4.320 -0.000 0.000 0.219 72 A C 1.365 178.934 177.584 -0.026 0.000 1.176 72 A CA 1.150 53.174 52.037 -0.021 0.000 0.631 72 A CB -0.743 18.247 19.000 -0.018 0.000 0.814 72 A HN 0.356 nan 8.150 nan 0.000 0.446 73 A N -0.676 122.124 122.820 -0.033 0.000 2.492 73 A HA 0.345 4.664 4.320 -0.000 0.000 0.236 73 A C 0.657 178.209 177.584 -0.053 0.000 1.078 73 A CA 0.732 52.742 52.037 -0.044 0.000 0.773 73 A CB 0.065 19.031 19.000 -0.057 0.000 1.023 73 A HN 0.537 nan 8.150 nan 0.000 0.504 74 E N -0.763 119.398 120.200 -0.066 0.000 2.679 74 E HA 0.084 4.434 4.350 -0.000 0.000 0.221 74 E C 0.209 176.741 176.600 -0.114 0.000 0.928 74 E CA 0.107 56.465 56.400 -0.071 0.000 1.296 74 E CB 0.528 30.201 29.700 -0.044 0.000 1.235 74 E HN 0.736 nan 8.360 nan 0.000 0.622 75 K N 0.466 120.767 120.400 -0.165 0.000 2.517 75 K HA 0.182 4.501 4.320 -0.000 0.000 0.210 75 K C -0.069 176.262 176.600 -0.449 0.000 1.166 75 K CA -0.339 55.754 56.287 -0.322 0.000 1.030 75 K CB 1.134 33.441 32.500 -0.321 0.000 0.974 75 K HN -0.108 nan 8.250 nan 0.000 0.585 76 L N 2.194 123.246 121.223 -0.284 0.000 2.660 76 L HA -0.072 4.267 4.340 -0.000 0.000 0.272 76 L C 0.834 177.512 176.870 -0.320 0.000 1.194 76 L CA 0.692 55.365 54.840 -0.279 0.000 0.945 76 L CB 0.759 42.725 42.059 -0.155 0.000 1.212 76 L HN -0.093 nan 8.230 nan 0.000 0.490 77 V N 4.668 124.306 119.914 -0.460 0.000 2.922 77 V HA 0.476 4.596 4.120 -0.000 0.000 0.242 77 V C 0.767 176.778 176.094 -0.137 0.000 1.094 77 V CA 0.884 62.975 62.300 -0.349 0.000 1.106 77 V CB -0.185 31.301 31.823 -0.561 0.000 0.799 77 V HN 0.933 nan 8.190 nan 0.000 0.474 78 A N -0.527 122.251 122.820 -0.071 0.000 2.599 78 A HA 0.799 5.119 4.320 -0.000 0.000 0.290 78 A C -1.620 176.072 177.584 0.181 0.000 1.101 78 A CA -0.435 51.665 52.037 0.105 0.000 0.674 78 A CB 1.460 20.691 19.000 0.386 0.000 1.277 78 A HN 0.097 nan 8.150 nan 0.000 0.419 79 I N 0.795 121.429 120.570 0.106 0.000 2.466 79 I HA 0.542 4.712 4.170 -0.000 0.000 0.289 79 I C 0.436 176.642 176.117 0.149 0.000 1.026 79 I CA -0.598 60.772 61.300 0.118 0.000 1.078 79 I CB 2.354 40.363 38.000 0.016 0.000 1.249 79 I HN 0.788 nan 8.210 nan 0.000 0.429 80 G N 4.630 113.561 108.800 0.218 0.000 2.415 80 G HA2 0.613 4.573 3.960 -0.000 0.000 0.317 80 G HA3 0.613 4.573 3.960 -0.000 0.000 0.317 80 G C -0.357 174.649 174.900 0.178 0.000 1.152 80 G CA -0.412 44.773 45.100 0.142 0.000 0.956 80 G HN 0.727 nan 8.290 nan 0.000 0.458 81 A N 2.971 125.805 122.820 0.024 0.000 2.391 81 A HA 0.565 4.885 4.320 -0.000 0.000 0.316 81 A C -0.276 177.314 177.584 0.010 0.000 1.381 81 A CA -0.619 51.457 52.037 0.065 0.000 0.998 81 A CB -0.297 18.699 19.000 -0.007 0.000 1.147 81 A HN 0.660 nan 8.150 nan 0.000 0.545 82 F N 2.721 122.678 119.950 0.011 0.000 2.659 82 F HA 0.445 4.972 4.527 -0.000 0.000 0.360 82 F C 1.032 176.835 175.800 0.003 0.000 1.218 82 F CA 1.056 59.063 58.000 0.012 0.000 1.317 82 F CB 0.005 39.024 39.000 0.031 0.000 1.697 82 F HN 0.744 nan 8.300 nan 0.000 0.637 83 A N 0.810 123.673 122.820 0.071 0.000 2.573 83 A HA 0.379 4.699 4.320 -0.000 0.000 0.310 83 A C 0.875 178.452 177.584 -0.012 0.000 1.142 83 A CA -0.697 51.365 52.037 0.042 0.000 0.620 83 A CB 0.062 19.089 19.000 0.046 0.000 1.382 83 A HN 0.401 nan 8.150 nan 0.000 0.545 84 I N -1.897 118.667 120.570 -0.010 0.000 2.730 84 I HA 0.289 4.459 4.170 -0.000 0.000 0.266 84 I C 0.880 176.969 176.117 -0.048 0.000 1.228 84 I CA 1.514 62.798 61.300 -0.027 0.000 1.445 84 I CB -0.974 37.017 38.000 -0.015 0.000 1.102 84 I HN 1.611 nan 8.210 nan 0.000 0.464 85 G N 0.261 109.032 108.800 -0.049 0.000 2.340 85 G HA2 0.034 3.994 3.960 -0.000 0.000 0.282 85 G HA3 0.034 3.994 3.960 -0.000 0.000 0.282 85 G C -0.393 174.476 174.900 -0.052 0.000 1.312 85 G CA -0.234 44.827 45.100 -0.065 0.000 0.942 85 G HN 0.320 nan 8.290 nan 0.000 0.495 86 T N -0.106 114.412 114.554 -0.061 0.000 2.908 86 T HA 0.348 4.698 4.350 -0.000 0.000 0.325 86 T C 0.918 175.587 174.700 -0.051 0.000 1.092 86 T CA 1.530 63.596 62.100 -0.057 0.000 1.125 86 T CB 0.152 68.981 68.868 -0.064 0.000 1.016 86 T HN 0.582 nan 8.240 nan 0.000 0.550 87 N N 1.846 120.512 118.700 -0.058 0.000 3.192 87 N HA 0.124 4.864 4.740 -0.000 0.000 0.177 87 N C 0.351 175.796 175.510 -0.107 0.000 1.460 87 N CA -0.216 52.791 53.050 -0.072 0.000 1.146 87 N CB 0.063 38.509 38.487 -0.068 0.000 1.095 87 N HN 0.452 nan 8.380 nan 0.000 0.559 88 Q N 1.378 121.083 119.800 -0.157 0.000 2.237 88 Q HA 0.378 4.718 4.340 -0.000 0.000 0.252 88 Q C -0.860 175.052 176.000 -0.148 0.000 0.877 88 Q CA -0.126 55.534 55.803 -0.238 0.000 1.011 88 Q CB 0.486 28.888 28.738 -0.560 0.000 1.118 88 Q HN 0.124 nan 8.270 nan 0.000 0.458 89 V N 0.926 120.785 119.914 -0.091 0.000 2.481 89 V HA 0.165 4.284 4.120 -0.000 0.000 0.286 89 V C 0.166 176.230 176.094 -0.049 0.000 1.042 89 V CA -0.892 61.373 62.300 -0.059 0.000 0.928 89 V CB 1.669 33.461 31.823 -0.051 0.000 0.986 89 V HN 0.126 nan 8.190 nan 0.000 0.462 90 D N 4.079 124.457 120.400 -0.036 0.000 2.508 90 D HA 0.178 4.818 4.640 -0.000 0.000 0.224 90 D C 1.158 177.435 176.300 -0.037 0.000 1.171 90 D CA 0.093 54.075 54.000 -0.030 0.000 1.006 90 D CB 0.420 41.208 40.800 -0.019 0.000 1.073 90 D HN 0.485 nan 8.370 nan 0.000 0.513 91 L N 1.809 123.006 121.223 -0.044 0.000 2.043 91 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 91 L C 1.916 178.763 176.870 -0.038 0.000 1.075 91 L CA 1.288 56.098 54.840 -0.050 0.000 0.752 91 L CB -0.313 41.714 42.059 -0.054 0.000 0.891 91 L HN 0.326 nan 8.230 nan 0.000 0.432 92 D N -0.003 120.378 120.400 -0.031 0.000 2.097 92 D HA -0.182 4.458 4.640 -0.000 0.000 0.195 92 D C 2.181 178.468 176.300 -0.023 0.000 0.989 92 D CA 1.444 55.429 54.000 -0.026 0.000 0.827 92 D CB 0.080 40.867 40.800 -0.023 0.000 0.966 92 D HN 0.254 nan 8.370 nan 0.000 0.456 93 A N 0.399 123.205 122.820 -0.023 0.000 1.940 93 A HA -0.022 4.298 4.320 -0.000 0.000 0.219 93 A C 2.345 179.914 177.584 -0.026 0.000 1.176 93 A CA 2.252 54.276 52.037 -0.022 0.000 0.631 93 A CB -1.073 17.915 19.000 -0.021 0.000 0.814 93 A HN 0.338 nan 8.150 nan 0.000 0.446 94 A N -0.137 122.663 122.820 -0.033 0.000 1.877 94 A HA 0.156 4.475 4.320 -0.000 0.000 0.216 94 A C 2.528 180.098 177.584 -0.023 0.000 1.186 94 A CA 2.142 54.151 52.037 -0.047 0.000 0.620 94 A CB -1.065 17.892 19.000 -0.071 0.000 0.822 94 A HN 1.068 nan 8.150 nan 0.000 0.443 95 A N -0.312 122.513 122.820 0.009 0.000 1.877 95 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 95 A C 2.058 179.671 177.584 0.048 0.000 1.186 95 A CA 1.819 53.905 52.037 0.081 0.000 0.620 95 A CB -0.419 18.602 19.000 0.035 0.000 0.822 95 A HN 0.338 nan 8.150 nan 0.000 0.443 96 K N -0.370 120.032 120.400 0.003 0.000 2.160 96 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 96 K C 1.507 178.106 176.600 -0.002 0.000 1.047 96 K CA 0.945 57.227 56.287 -0.008 0.000 0.930 96 K CB -0.244 32.247 32.500 -0.014 0.000 0.720 96 K HN 0.333 nan 8.250 nan 0.000 0.450 97 R N -0.193 120.305 120.500 -0.003 0.000 2.334 97 R HA 0.056 4.395 4.340 -0.000 0.000 0.220 97 R C 0.558 176.857 176.300 -0.002 0.000 0.917 97 R CA 0.515 56.606 56.100 -0.016 0.000 1.073 97 R CB -0.094 30.183 30.300 -0.038 0.000 1.056 97 R HN 0.362 nan 8.270 nan 0.000 0.506 98 G N 1.984 110.822 108.800 0.064 0.000 2.272 98 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.280 98 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.280 98 G C -0.001 174.878 174.900 -0.035 0.000 1.067 98 G CA 0.023 45.219 45.100 0.160 0.000 0.902 98 G HN 0.322 nan 8.290 nan 0.000 0.500 99 I N 1.671 122.163 120.570 -0.129 0.000 2.420 99 I HA 0.294 4.464 4.170 -0.000 0.000 0.282 99 I C -2.029 173.757 176.117 -0.551 0.000 1.019 99 I CA -2.423 58.676 61.300 -0.334 0.000 1.130 99 I CB 2.342 40.231 38.000 -0.185 0.000 1.262 99 I HN -0.053 nan 8.210 nan 0.000 0.454 100 P HA 0.158 nan 4.420 nan 0.000 0.279 100 P C -0.629 176.242 177.300 -0.715 0.000 1.239 100 P CA -0.228 62.203 63.100 -1.116 0.000 0.789 100 P CB 1.959 32.629 31.700 -1.716 0.000 0.933 101 V N 4.586 124.145 119.914 -0.592 0.000 2.347 101 V HA 0.298 4.418 4.120 -0.000 0.000 0.280 101 V C -0.025 175.781 176.094 -0.480 0.000 1.021 101 V CA -0.282 61.797 62.300 -0.369 0.000 0.847 101 V CB 0.071 31.767 31.823 -0.212 0.000 0.990 101 V HN 0.361 nan 8.190 nan 0.000 0.444 102 F N 5.213 125.044 119.950 -0.199 0.000 2.421 102 F HA 0.553 5.080 4.527 -0.000 0.000 0.337 102 F C 0.649 176.313 175.800 -0.228 0.000 1.105 102 F CA -0.480 57.392 58.000 -0.213 0.000 1.049 102 F CB 1.512 40.374 39.000 -0.229 0.000 1.139 102 F HN 0.646 nan 8.300 nan 0.000 0.479 103 N N 1.528 120.196 118.700 -0.053 0.000 2.989 103 N HA 0.705 5.445 4.740 -0.000 0.000 0.338 103 N C -1.423 173.973 175.510 -0.189 0.000 1.369 103 N CA -1.041 51.927 53.050 -0.136 0.000 0.794 103 N CB 0.945 39.354 38.487 -0.128 0.000 1.359 103 N HN 0.473 nan 8.380 nan 0.000 0.609 104 A N 0.449 123.151 122.820 -0.198 0.000 2.801 104 A HA 0.409 4.729 4.320 -0.000 0.000 0.344 104 A C -1.657 175.771 177.584 -0.259 0.000 1.322 104 A CA -1.324 50.586 52.037 -0.212 0.000 0.913 104 A CB 0.246 19.156 19.000 -0.150 0.000 1.140 104 A HN 0.660 nan 8.150 nan 0.000 0.487 105 P HA -0.095 nan 4.420 nan 0.000 0.217 105 P C 0.592 177.468 177.300 -0.707 0.000 1.151 105 P CA 1.312 63.998 63.100 -0.691 0.000 0.828 105 P CB 0.011 31.046 31.700 -1.108 0.000 0.788 106 F N -1.214 118.622 119.950 -0.189 0.000 2.661 106 F HA 0.287 4.814 4.527 -0.000 0.000 0.306 106 F C 2.301 177.997 175.800 -0.173 0.000 1.094 106 F CA -0.366 57.470 58.000 -0.273 0.000 1.254 106 F CB -0.211 38.432 39.000 -0.595 0.000 1.040 106 F HN -0.211 nan 8.300 nan 0.000 0.562 107 S N 1.164 116.855 115.700 -0.016 0.000 2.370 107 S HA -0.235 4.235 4.470 -0.000 0.000 0.226 107 S C 1.449 176.056 174.600 0.012 0.000 1.033 107 S CA 1.984 60.183 58.200 -0.002 0.000 1.011 107 S CB -0.542 62.646 63.200 -0.019 0.000 0.852 107 S HN 0.626 nan 8.310 nan 0.000 0.457 108 N N 0.375 119.081 118.700 0.009 0.000 2.378 108 N HA 0.160 4.899 4.740 -0.000 0.000 0.243 108 N C 0.641 176.165 175.510 0.024 0.000 1.137 108 N CA 0.100 53.160 53.050 0.016 0.000 0.862 108 N CB 0.021 38.516 38.487 0.014 0.000 1.116 108 N HN -0.042 nan 8.380 nan 0.000 0.499 109 T N 0.359 114.931 114.554 0.030 0.000 2.652 109 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 109 T C 1.749 176.449 174.700 -0.000 0.000 1.039 109 T CA 1.488 63.605 62.100 0.028 0.000 1.153 109 T CB -0.197 68.692 68.868 0.036 0.000 0.863 109 T HN 0.346 nan 8.240 nan 0.000 0.428 110 R N 1.399 121.899 120.500 0.000 0.000 2.091 110 R HA -0.058 4.282 4.340 -0.000 0.000 0.238 110 R C 2.596 178.895 176.300 -0.002 0.000 1.136 110 R CA 2.153 58.248 56.100 -0.007 0.000 0.959 110 R CB -1.145 29.154 30.300 -0.001 0.000 0.856 110 R HN 0.305 nan 8.270 nan 0.000 0.437 111 S N -0.915 114.789 115.700 0.008 0.000 2.383 111 S HA -0.092 4.378 4.470 -0.000 0.000 0.229 111 S C 1.828 176.439 174.600 0.018 0.000 1.030 111 S CA 1.486 59.694 58.200 0.013 0.000 1.002 111 S CB -0.272 62.938 63.200 0.017 0.000 0.829 111 S HN 0.222 nan 8.310 nan 0.000 0.467 112 V N 1.865 121.791 119.914 0.019 0.000 2.379 112 V HA -0.016 4.104 4.120 -0.000 0.000 0.245 112 V C 2.900 179.007 176.094 0.022 0.000 1.044 112 V CA 1.524 63.846 62.300 0.037 0.000 1.036 112 V CB -1.361 30.494 31.823 0.053 0.000 0.664 112 V HN 0.605 nan 8.190 nan 0.000 0.453 113 A N -0.301 122.503 122.820 -0.027 0.000 1.902 113 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 113 A C 2.191 179.775 177.584 -0.000 0.000 1.181 113 A CA 1.950 53.959 52.037 -0.047 0.000 0.623 113 A CB -0.482 18.473 19.000 -0.075 0.000 0.818 113 A HN 0.602 nan 8.150 nan 0.000 0.443 114 E N -0.871 119.332 120.200 0.005 0.000 2.077 114 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 114 E C 1.968 178.583 176.600 0.026 0.000 0.989 114 E CA 1.225 57.633 56.400 0.014 0.000 0.800 114 E CB -0.250 29.457 29.700 0.011 0.000 0.746 114 E HN 0.529 nan 8.360 nan 0.000 0.452 115 L N 0.686 121.929 121.223 0.032 0.000 2.046 115 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 115 L C 2.214 179.116 176.870 0.053 0.000 1.077 115 L CA 1.361 56.226 54.840 0.041 0.000 0.747 115 L CB -0.304 41.783 42.059 0.046 0.000 0.896 115 L HN -0.072 nan 8.230 nan 0.000 0.432 116 V N -0.118 119.838 119.914 0.071 0.000 2.343 116 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 116 V C 2.540 178.674 176.094 0.068 0.000 1.051 116 V CA 1.638 63.992 62.300 0.091 0.000 1.036 116 V CB -0.628 31.285 31.823 0.150 0.000 0.654 116 V HN 0.384 nan 8.190 nan 0.000 0.451 117 I N 1.038 121.639 120.570 0.052 0.000 2.142 117 I HA -0.173 3.997 4.170 -0.000 0.000 0.240 117 I C 2.684 178.823 176.117 0.037 0.000 1.078 117 I CA 2.121 63.446 61.300 0.041 0.000 1.343 117 I CB -1.882 36.135 38.000 0.029 0.000 1.046 117 I HN 0.394 nan 8.210 nan 0.000 0.405 118 G N 0.533 109.353 108.800 0.034 0.000 2.440 118 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 118 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 118 G C 1.568 176.489 174.900 0.034 0.000 1.154 118 G CA 0.628 45.747 45.100 0.031 0.000 0.767 118 G HN 0.461 nan 8.290 nan 0.000 0.552 119 E N 0.270 120.493 120.200 0.038 0.000 2.031 119 E HA -0.130 4.219 4.350 -0.000 0.000 0.193 119 E C 2.535 179.158 176.600 0.040 0.000 0.994 119 E CA 1.299 57.722 56.400 0.038 0.000 0.800 119 E CB -0.296 29.429 29.700 0.041 0.000 0.752 119 E HN 0.524 nan 8.360 nan 0.000 0.447 120 L N -0.322 120.927 121.223 0.044 0.000 2.131 120 L HA -0.113 4.226 4.340 -0.000 0.000 0.210 120 L C 2.081 178.977 176.870 0.044 0.000 1.092 120 L CA 1.530 56.396 54.840 0.043 0.000 0.759 120 L CB -0.685 41.402 42.059 0.047 0.000 0.903 120 L HN 0.020 nan 8.230 nan 0.000 0.435 121 L N -0.624 120.624 121.223 0.041 0.000 2.017 121 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 121 L C 2.718 179.615 176.870 0.044 0.000 1.073 121 L CA 1.433 56.297 54.840 0.040 0.000 0.745 121 L CB -0.586 41.492 42.059 0.032 0.000 0.894 121 L HN 0.351 nan 8.230 nan 0.000 0.432 122 L N -0.727 120.519 121.223 0.039 0.000 2.056 122 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 122 L C 2.544 179.441 176.870 0.045 0.000 1.078 122 L CA 1.104 55.967 54.840 0.039 0.000 0.749 122 L CB -0.493 41.586 42.059 0.034 0.000 0.901 122 L HN 0.290 nan 8.230 nan 0.000 0.433 123 L N -0.666 120.585 121.223 0.046 0.000 2.046 123 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 123 L C 2.552 179.465 176.870 0.071 0.000 1.077 123 L CA 0.698 55.568 54.840 0.049 0.000 0.747 123 L CB -0.404 41.677 42.059 0.038 0.000 0.896 123 L HN 0.231 nan 8.230 nan 0.000 0.432 124 L N -0.271 121.001 121.223 0.082 0.000 2.127 124 L HA -0.166 4.174 4.340 -0.000 0.000 0.211 124 L C 2.418 179.388 176.870 0.167 0.000 1.089 124 L CA 1.692 56.614 54.840 0.137 0.000 0.757 124 L CB -0.787 41.345 42.059 0.122 0.000 0.899 124 L HN 0.190 nan 8.230 nan 0.000 0.434 125 R N -0.559 119.996 120.500 0.092 0.000 2.317 125 R HA 0.238 4.578 4.340 -0.000 0.000 0.208 125 R C 1.168 177.486 176.300 0.030 0.000 0.914 125 R CA 0.653 56.781 56.100 0.046 0.000 1.060 125 R CB -0.515 29.801 30.300 0.028 0.000 1.015 125 R HN 0.396 nan 8.270 nan 0.000 0.498 126 G N 0.903 109.734 108.800 0.052 0.000 2.203 126 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.263 126 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.263 126 G C 0.946 175.867 174.900 0.036 0.000 1.012 126 G CA 0.554 45.680 45.100 0.044 0.000 0.749 126 G HN 0.239 nan 8.290 nan 0.000 0.512 127 V N 0.492 120.427 119.914 0.036 0.000 2.427 127 V HA -0.121 3.999 4.120 -0.000 0.000 0.248 127 V C 0.956 177.075 176.094 0.041 0.000 1.051 127 V CA 2.559 64.880 62.300 0.036 0.000 1.048 127 V CB -0.794 31.049 31.823 0.034 0.000 0.666 127 V HN 0.396 nan 8.190 nan 0.000 0.456 128 P HA -0.211 nan 4.420 nan 0.000 0.214 128 P C 1.709 179.036 177.300 0.045 0.000 1.163 128 P CA 1.745 64.868 63.100 0.038 0.000 0.889 128 P CB 0.080 31.804 31.700 0.039 0.000 0.790 129 E N -0.413 119.817 120.200 0.050 0.000 2.072 129 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 129 E C 1.956 178.588 176.600 0.052 0.000 0.985 129 E CA 1.283 57.715 56.400 0.054 0.000 0.801 129 E CB -0.691 29.043 29.700 0.058 0.000 0.750 129 E HN 0.040 nan 8.360 nan 0.000 0.452 130 A N 1.353 124.201 122.820 0.047 0.000 1.933 130 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 130 A C 2.109 179.733 177.584 0.067 0.000 1.175 130 A CA 1.681 53.745 52.037 0.045 0.000 0.628 130 A CB -0.895 18.125 19.000 0.033 0.000 0.814 130 A HN 0.475 nan 8.150 nan 0.000 0.444 131 N N 0.116 118.866 118.700 0.083 0.000 2.171 131 N HA -0.100 4.640 4.740 -0.000 0.000 0.184 131 N C 1.963 177.591 175.510 0.196 0.000 1.021 131 N CA 1.231 54.369 53.050 0.146 0.000 0.854 131 N CB -0.193 38.358 38.487 0.107 0.000 0.994 131 N HN 0.360 nan 8.380 nan 0.000 0.426 132 A N 1.517 124.394 122.820 0.095 0.000 1.877 132 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 132 A C 2.194 179.839 177.584 0.102 0.000 1.186 132 A CA 1.272 53.353 52.037 0.073 0.000 0.620 132 A CB -0.416 18.608 19.000 0.039 0.000 0.822 132 A HN 0.322 nan 8.150 nan 0.000 0.443 133 K N -0.449 119.999 120.400 0.080 0.000 2.057 133 K HA -0.039 4.281 4.320 -0.000 0.000 0.207 133 K C 2.288 178.925 176.600 0.062 0.000 1.049 133 K CA 1.048 57.372 56.287 0.061 0.000 0.931 133 K CB -0.307 32.219 32.500 0.043 0.000 0.714 133 K HN 0.443 nan 8.250 nan 0.000 0.440 134 A N 0.847 123.711 122.820 0.074 0.000 1.933 134 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 134 A C 1.506 179.075 177.584 -0.026 0.000 1.175 134 A CA 1.476 53.523 52.037 0.018 0.000 0.628 134 A CB -0.647 18.355 19.000 0.002 0.000 0.814 134 A HN 0.304 nan 8.150 nan 0.000 0.444 135 H N -0.966 118.108 119.070 0.007 0.000 2.547 135 H HA 0.135 4.691 4.556 -0.000 0.000 0.272 135 H C 1.595 176.926 175.328 0.004 0.000 0.989 135 H CA 0.867 56.918 56.048 0.006 0.000 1.214 135 H CB 0.120 29.887 29.762 0.007 0.000 1.389 135 H HN 0.414 nan 8.280 nan 0.000 0.577 136 R N -0.731 119.826 120.500 0.095 0.000 2.432 136 R HA 0.202 4.541 4.340 -0.000 0.000 0.260 136 R C 0.920 177.235 176.300 0.024 0.000 0.935 136 R CA 0.520 56.653 56.100 0.053 0.000 1.080 136 R CB 0.953 31.280 30.300 0.046 0.000 1.155 136 R HN 0.425 nan 8.270 nan 0.000 0.531 137 G N 0.825 109.631 108.800 0.009 0.000 2.363 137 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.238 137 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.238 137 G C 0.458 175.357 174.900 -0.001 0.000 1.062 137 G CA 0.160 45.257 45.100 -0.004 0.000 0.629 137 G HN 0.126 nan 8.290 nan 0.000 0.514 138 V N 1.353 121.272 119.914 0.009 0.000 3.139 138 V HA 0.549 4.669 4.120 -0.000 0.000 0.307 138 V C 1.328 177.427 176.094 0.007 0.000 1.095 138 V CA 0.813 63.118 62.300 0.009 0.000 1.160 138 V CB 1.120 32.952 31.823 0.015 0.000 1.003 138 V HN 1.137 nan 8.190 nan 0.000 0.489 139 G N 1.605 110.408 108.800 0.006 0.000 3.022 139 G HA2 0.789 4.749 3.960 -0.000 0.000 0.284 139 G HA3 0.789 4.749 3.960 -0.000 0.000 0.284 139 G C -1.143 173.761 174.900 0.006 0.000 1.375 139 G CA -0.476 44.626 45.100 0.004 0.000 0.902 139 G HN 0.943 nan 8.290 nan 0.000 0.538 146 S N -1.314 114.315 115.700 -0.119 0.000 3.388 146 S HA -0.023 4.447 4.470 -0.000 0.000 0.569 146 S C -0.830 173.322 174.600 -0.746 0.000 0.676 146 S CA 1.072 59.097 58.200 -0.293 0.000 1.373 146 S CB -1.377 61.644 63.200 -0.299 0.000 1.106 146 S HN 1.494 nan 8.310 nan 0.000 0.833 147 F N 1.830 121.782 119.950 0.004 0.000 2.678 147 F HA 0.426 4.953 4.527 -0.000 0.000 0.308 147 F C 0.250 176.051 175.800 0.002 0.000 1.118 147 F CA -1.032 56.969 58.000 0.003 0.000 0.959 147 F CB 1.222 40.223 39.000 0.002 0.000 1.305 147 F HN 0.427 nan 8.300 nan 0.000 0.443 148 E N 0.375 120.692 120.200 0.195 0.000 2.314 148 E HA 0.567 4.917 4.350 -0.000 0.000 0.262 148 E C 0.139 176.794 176.600 0.091 0.000 1.093 148 E CA -0.186 56.275 56.400 0.102 0.000 0.908 148 E CB 1.483 31.223 29.700 0.066 0.000 1.091 148 E HN 0.690 nan 8.360 nan 0.000 0.425 149 A N 1.909 124.756 122.820 0.044 0.000 1.997 149 A HA -0.035 4.284 4.320 -0.000 0.000 0.212 149 A C 1.015 178.582 177.584 -0.029 0.000 1.178 149 A CA 0.237 52.284 52.037 0.016 0.000 0.698 149 A CB -0.253 18.754 19.000 0.012 0.000 0.842 149 A HN 0.627 nan 8.150 nan 0.000 0.458 150 R N -0.571 119.907 120.500 -0.038 0.000 2.585 150 R HA 0.359 4.699 4.340 -0.000 0.000 0.275 150 R C 0.906 177.140 176.300 -0.111 0.000 1.018 150 R CA 0.646 56.688 56.100 -0.096 0.000 1.072 150 R CB -0.137 30.126 30.300 -0.061 0.000 0.953 150 R HN 0.897 nan 8.270 nan 0.000 0.419 151 G N 1.496 110.131 108.800 -0.274 0.000 2.199 151 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.254 151 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.254 151 G C -0.216 174.659 174.900 -0.041 0.000 0.982 151 G CA 0.266 45.261 45.100 -0.174 0.000 0.632 151 G HN 0.580 nan 8.290 nan 0.000 0.529 152 K N 0.686 121.042 120.400 -0.072 0.000 2.098 152 K HA 0.539 4.859 4.320 -0.000 0.000 0.257 152 K C 0.367 177.015 176.600 0.080 0.000 0.999 152 K CA -0.368 55.930 56.287 0.018 0.000 0.924 152 K CB 0.985 33.482 32.500 -0.006 0.000 1.028 152 K HN 0.316 nan 8.250 nan 0.000 0.466 153 K N 1.357 121.838 120.400 0.135 0.000 2.183 153 K HA 0.316 4.636 4.320 -0.000 0.000 0.274 153 K C -0.458 176.239 176.600 0.163 0.000 1.009 153 K CA -0.842 55.581 56.287 0.228 0.000 0.888 153 K CB 1.005 33.606 32.500 0.168 0.000 1.078 153 K HN 0.208 nan 8.250 nan 0.000 0.459 154 L N 1.681 123.037 121.223 0.222 0.000 2.296 154 L HA 0.483 4.823 4.340 -0.000 0.000 0.286 154 L C -0.316 176.696 176.870 0.237 0.000 1.023 154 L CA 0.115 55.062 54.840 0.178 0.000 0.812 154 L CB 1.428 43.580 42.059 0.154 0.000 1.223 154 L HN 0.682 nan 8.230 nan 0.000 0.421 155 G N 6.599 115.507 108.800 0.180 0.000 2.384 155 G HA2 0.561 4.520 3.960 -0.000 0.000 0.316 155 G HA3 0.561 4.520 3.960 -0.000 0.000 0.316 155 G C -0.689 174.339 174.900 0.213 0.000 1.160 155 G CA -0.441 44.777 45.100 0.196 0.000 0.936 155 G HN 0.617 nan 8.290 nan 0.000 0.455 156 I N 2.630 123.375 120.570 0.292 0.000 2.359 156 I HA 0.352 4.522 4.170 -0.000 0.000 0.294 156 I C -0.245 176.085 176.117 0.354 0.000 0.987 156 I CA -0.634 60.865 61.300 0.332 0.000 1.225 156 I CB 1.980 40.224 38.000 0.407 0.000 1.366 156 I HN 0.232 nan 8.210 nan 0.000 0.466 157 I N 5.575 126.318 120.570 0.289 0.000 2.359 157 I HA 0.479 4.649 4.170 -0.000 0.000 0.284 157 I C 0.306 176.590 176.117 0.279 0.000 1.018 157 I CA -0.314 61.168 61.300 0.304 0.000 1.173 157 I CB 1.370 39.495 38.000 0.207 0.000 1.326 157 I HN 0.854 nan 8.210 nan 0.000 0.462 158 G N 4.924 113.905 108.800 0.302 0.000 2.721 158 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.462 158 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.462 158 G C -0.861 174.179 174.900 0.233 0.000 1.062 158 G CA -0.765 44.475 45.100 0.234 0.000 1.233 158 G HN 0.676 nan 8.290 nan 0.000 0.545 159 Y N 2.640 122.938 120.300 -0.003 0.000 2.812 159 Y HA 0.492 5.042 4.550 -0.000 0.000 0.354 159 Y C 1.158 176.920 175.900 -0.230 0.000 1.276 159 Y CA 0.410 58.383 58.100 -0.211 0.000 1.639 159 Y CB -0.138 37.937 38.460 -0.643 0.000 1.741 159 Y HN 0.646 nan 8.280 nan 0.000 0.479 160 G N 0.313 108.949 108.800 -0.273 0.000 3.194 160 G HA2 0.039 3.999 3.960 -0.000 0.000 0.160 160 G HA3 0.039 3.999 3.960 -0.000 0.000 0.160 160 G C 0.123 174.757 174.900 -0.444 0.000 1.267 160 G CA -0.273 44.625 45.100 -0.338 0.000 0.962 160 G HN 0.551 nan 8.290 nan 0.000 0.612 161 H N -0.515 118.367 119.070 -0.314 0.000 2.267 161 H HA -0.035 4.521 4.556 -0.000 0.000 0.297 161 H C 2.545 177.717 175.328 -0.259 0.000 1.080 161 H CA 2.138 57.998 56.048 -0.313 0.000 1.278 161 H CB -0.066 29.505 29.762 -0.318 0.000 1.365 161 H HN 0.223 nan 8.280 nan 0.000 0.489 162 I N -0.331 120.193 120.570 -0.076 0.000 2.233 162 I HA -0.161 4.009 4.170 -0.000 0.000 0.243 162 I C 2.804 178.715 176.117 -0.343 0.000 1.093 162 I CA 1.080 62.253 61.300 -0.211 0.000 1.380 162 I CB -0.660 37.177 38.000 -0.272 0.000 1.067 162 I HN 0.380 nan 8.210 nan 0.000 0.413 163 G N 1.052 109.661 108.800 -0.319 0.000 2.513 163 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.219 163 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.219 163 G C 1.756 176.456 174.900 -0.333 0.000 1.160 163 G CA 1.906 46.872 45.100 -0.224 0.000 0.767 163 G HN 0.475 nan 8.290 nan 0.000 0.571 164 T N -1.251 112.913 114.554 -0.651 0.000 2.777 164 T HA -0.098 4.251 4.350 -0.000 0.000 0.266 164 T C 2.257 176.797 174.700 -0.265 0.000 1.040 164 T CA 1.626 63.323 62.100 -0.672 0.000 1.141 164 T CB -0.381 68.036 68.868 -0.752 0.000 0.868 164 T HN 0.430 nan 8.240 nan 0.000 0.444 165 Q N 0.385 120.056 119.800 -0.217 0.000 2.167 165 Q HA 0.082 4.421 4.340 -0.000 0.000 0.202 165 Q C 2.332 178.282 176.000 -0.084 0.000 0.970 165 Q CA 0.984 56.714 55.803 -0.122 0.000 0.855 165 Q CB -0.348 28.330 28.738 -0.100 0.000 0.911 165 Q HN 0.429 nan 8.270 nan 0.000 0.438 166 L N 0.579 121.739 121.223 -0.105 0.000 2.056 166 L HA -0.012 4.327 4.340 -0.000 0.000 0.207 166 L C 2.101 178.982 176.870 0.018 0.000 1.078 166 L CA 2.215 57.026 54.840 -0.049 0.000 0.749 166 L CB -0.999 41.014 42.059 -0.077 0.000 0.901 166 L HN 0.124 nan 8.230 nan 0.000 0.433 167 G N -0.111 108.720 108.800 0.052 0.000 2.440 167 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 167 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 167 G C 1.633 176.572 174.900 0.065 0.000 1.154 167 G CA 1.249 46.418 45.100 0.114 0.000 0.767 167 G HN 0.490 nan 8.290 nan 0.000 0.552 168 I N 0.375 120.962 120.570 0.029 0.000 2.179 168 I HA -0.157 4.013 4.170 -0.000 0.000 0.242 168 I C 2.716 178.839 176.117 0.010 0.000 1.088 168 I CA 0.794 62.102 61.300 0.014 0.000 1.357 168 I CB -0.217 37.777 38.000 -0.010 0.000 1.051 168 I HN 0.131 nan 8.210 nan 0.000 0.409 169 L N 0.334 121.560 121.223 0.005 0.000 2.056 169 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 169 L C 2.886 179.762 176.870 0.011 0.000 1.078 169 L CA 1.241 56.084 54.840 0.005 0.000 0.749 169 L CB -0.831 41.230 42.059 0.003 0.000 0.901 169 L HN 0.236 nan 8.230 nan 0.000 0.433 170 A N 0.146 122.979 122.820 0.022 0.000 1.883 170 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 170 A C 2.181 179.767 177.584 0.002 0.000 1.186 170 A CA 1.855 53.906 52.037 0.023 0.000 0.624 170 A CB -0.508 18.523 19.000 0.051 0.000 0.822 170 A HN 0.464 nan 8.150 nan 0.000 0.444 171 E N 0.077 120.284 120.200 0.011 0.000 2.153 171 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 171 E C 2.284 178.878 176.600 -0.012 0.000 0.988 171 E CA 1.348 57.748 56.400 -0.001 0.000 0.811 171 E CB -0.208 29.505 29.700 0.022 0.000 0.746 171 E HN 0.807 nan 8.360 nan 0.000 0.466 172 S N 0.436 116.134 115.700 -0.004 0.000 2.474 172 S HA -0.085 4.385 4.470 -0.000 0.000 0.235 172 S C 1.638 176.230 174.600 -0.013 0.000 0.997 172 S CA 0.552 58.749 58.200 -0.005 0.000 0.949 172 S CB 0.019 63.219 63.200 -0.000 0.000 0.766 172 S HN 0.061 nan 8.310 nan 0.000 0.517 173 L N 1.835 123.047 121.223 -0.019 0.000 2.611 173 L HA 0.448 4.787 4.340 -0.000 0.000 0.229 173 L C 1.360 178.198 176.870 -0.053 0.000 1.137 173 L CA 0.787 55.613 54.840 -0.024 0.000 0.901 173 L CB -0.729 41.322 42.059 -0.014 0.000 1.098 173 L HN 0.652 nan 8.230 nan 0.000 0.456 177 V N 4.292 124.228 119.914 0.038 0.000 2.394 177 V HA 0.440 4.560 4.120 -0.000 0.000 0.282 177 V C -0.887 175.050 176.094 -0.262 0.000 1.031 177 V CA -0.648 61.664 62.300 0.019 0.000 0.881 177 V CB 0.720 32.587 31.823 0.072 0.000 0.982 177 V HN 0.554 nan 8.190 nan 0.000 0.451 178 Y N 5.025 125.396 120.300 0.118 0.000 2.499 178 Y HA 0.788 5.338 4.550 -0.000 0.000 0.347 178 Y C -0.262 175.706 175.900 0.112 0.000 0.987 178 Y CA -1.146 56.971 58.100 0.028 0.000 1.044 178 Y CB 2.076 40.530 38.460 -0.010 0.000 1.245 178 Y HN 0.666 nan 8.280 nan 0.000 0.461 179 F N 0.261 120.249 119.950 0.063 0.000 2.626 179 F HA 0.716 5.243 4.527 -0.000 0.000 0.311 179 F C -2.090 173.773 175.800 0.105 0.000 1.088 179 F CA -1.839 56.193 58.000 0.053 0.000 0.949 179 F CB 1.523 40.437 39.000 -0.144 0.000 1.322 179 F HN 0.415 nan 8.300 nan 0.000 0.461 180 Y N 1.977 122.421 120.300 0.239 0.000 2.391 180 Y HA 0.627 5.176 4.550 -0.000 0.000 0.341 180 Y C -1.529 174.524 175.900 0.255 0.000 0.965 180 Y CA -0.532 57.650 58.100 0.138 0.000 1.067 180 Y CB 1.329 39.837 38.460 0.081 0.000 1.199 180 Y HN 0.927 nan 8.280 nan 0.000 0.450 181 D N 4.361 124.454 120.400 -0.512 0.000 2.610 181 D HA 0.236 4.876 4.640 -0.000 0.000 0.271 181 D C 0.313 176.289 176.300 -0.540 0.000 1.174 181 D CA -0.470 53.348 54.000 -0.304 0.000 0.949 181 D CB 1.898 42.733 40.800 0.059 0.000 1.430 181 D HN 0.743 nan 8.370 nan 0.000 0.467 182 I N -1.239 119.192 120.570 -0.233 0.000 3.735 182 I HA 0.286 4.456 4.170 -0.000 0.000 0.310 182 I C 0.364 176.427 176.117 -0.091 0.000 1.270 182 I CA 0.039 61.246 61.300 -0.155 0.000 1.207 182 I CB -0.092 37.888 38.000 -0.032 0.000 1.013 182 I HN 0.262 nan 8.210 nan 0.000 0.452 183 E N 0.977 121.131 120.200 -0.076 0.000 2.430 183 E HA 0.251 4.601 4.350 -0.000 0.000 0.279 183 E C -1.284 175.315 176.600 -0.001 0.000 1.003 183 E CA -0.911 55.471 56.400 -0.031 0.000 0.801 183 E CB 0.822 30.518 29.700 -0.006 0.000 1.313 183 E HN 0.141 nan 8.360 nan 0.000 0.459 184 N N 1.599 120.304 118.700 0.010 0.000 2.497 184 N HA 0.039 4.779 4.740 -0.000 0.000 0.268 184 N C -1.052 174.508 175.510 0.083 0.000 1.171 184 N CA 0.168 53.244 53.050 0.043 0.000 0.948 184 N CB 0.514 39.014 38.487 0.021 0.000 1.069 184 N HN 0.298 nan 8.380 nan 0.000 0.460 185 K N 3.364 123.866 120.400 0.171 0.000 2.259 185 K HA 0.290 4.610 4.320 -0.000 0.000 0.252 185 K C -0.249 176.452 176.600 0.168 0.000 0.936 185 K CA -0.765 55.618 56.287 0.160 0.000 0.810 185 K CB 2.081 34.698 32.500 0.195 0.000 1.143 185 K HN 0.554 nan 8.250 nan 0.000 0.427 186 L N 5.437 126.721 121.223 0.102 0.000 2.433 186 L HA 0.182 4.522 4.340 -0.000 0.000 0.275 186 L C -1.889 175.067 176.870 0.144 0.000 1.128 186 L CA -1.258 53.636 54.840 0.090 0.000 0.875 186 L CB 0.740 42.821 42.059 0.037 0.000 1.171 186 L HN 0.296 nan 8.230 nan 0.000 0.463 187 P HA 0.197 nan 4.420 nan 0.000 0.279 187 P C -0.950 176.432 177.300 0.136 0.000 1.239 187 P CA -0.367 62.835 63.100 0.170 0.000 0.789 187 P CB 1.362 33.167 31.700 0.174 0.000 0.933 188 L N 1.878 123.209 121.223 0.179 0.000 2.343 188 L HA 0.476 4.816 4.340 -0.000 0.000 0.275 188 L C 1.525 178.445 176.870 0.083 0.000 1.056 188 L CA 0.114 55.009 54.840 0.092 0.000 0.804 188 L CB 0.821 42.910 42.059 0.050 0.000 1.203 188 L HN 0.773 nan 8.230 nan 0.000 0.440 189 G N 2.806 111.634 108.800 0.046 0.000 2.582 189 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.288 189 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.288 189 G C 0.430 175.349 174.900 0.032 0.000 1.247 189 G CA 0.388 45.510 45.100 0.037 0.000 0.972 189 G HN 0.716 nan 8.290 nan 0.000 0.557 190 N N 1.935 120.650 118.700 0.025 0.000 2.314 190 N HA 0.477 5.217 4.740 -0.000 0.000 0.200 190 N C 0.927 176.411 175.510 -0.043 0.000 1.135 190 N CA 0.885 53.933 53.050 -0.002 0.000 0.835 190 N CB 0.107 38.600 38.487 0.011 0.000 0.989 190 N HN 0.981 nan 8.380 nan 0.000 0.478 191 A N 0.152 122.974 122.820 0.003 0.000 2.531 191 A HA 0.311 4.631 4.320 -0.000 0.000 0.236 191 A C 0.300 177.856 177.584 -0.047 0.000 1.062 191 A CA 0.413 52.450 52.037 -0.001 0.000 0.760 191 A CB 0.128 19.183 19.000 0.090 0.000 0.995 191 A HN 0.143 nan 8.150 nan 0.000 0.501 192 T N 2.686 117.096 114.554 -0.240 0.000 2.812 192 T HA 0.403 4.752 4.350 -0.000 0.000 0.282 192 T C -0.165 174.104 174.700 -0.718 0.000 0.990 192 T CA -0.285 61.606 62.100 -0.349 0.000 0.960 192 T CB 1.249 69.904 68.868 -0.355 0.000 0.948 192 T HN 0.774 nan 8.240 nan 0.000 0.438 193 Q N 2.378 121.613 119.800 -0.941 0.000 2.327 193 Q HA 0.479 4.819 4.340 -0.000 0.000 0.254 193 Q C -1.110 174.566 176.000 -0.540 0.000 0.952 193 Q CA -0.340 54.649 55.803 -1.357 0.000 0.884 193 Q CB 0.618 28.822 28.738 -0.889 0.000 1.224 193 Q HN 0.456 nan 8.270 nan 0.000 0.422 194 V N 4.793 124.478 119.914 -0.383 0.000 2.409 194 V HA 0.085 4.205 4.120 -0.000 0.000 0.291 194 V C 0.519 176.593 176.094 -0.034 0.000 1.020 194 V CA -0.694 61.544 62.300 -0.102 0.000 0.848 194 V CB 1.554 33.381 31.823 0.006 0.000 0.990 194 V HN 0.903 nan 8.190 nan 0.000 0.430 195 Q N 1.859 121.618 119.800 -0.067 0.000 2.124 195 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 195 Q C 0.264 176.190 176.000 -0.124 0.000 0.977 195 Q CA 1.453 57.166 55.803 -0.150 0.000 0.850 195 Q CB -0.034 28.531 28.738 -0.289 0.000 0.901 195 Q HN 0.807 nan 8.270 nan 0.000 0.429 196 H N -0.152 118.991 119.070 0.121 0.000 2.488 196 H HA 0.162 4.717 4.556 -0.000 0.000 0.322 196 H C 1.044 176.342 175.328 -0.050 0.000 1.078 196 H CA -0.389 55.702 56.048 0.072 0.000 1.260 196 H CB 1.627 31.393 29.762 0.006 0.000 1.425 196 H HN -0.031 nan 8.280 nan 0.000 0.471 197 L N 1.787 122.882 121.223 -0.214 0.000 2.043 197 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 197 L C 2.092 178.831 176.870 -0.220 0.000 1.075 197 L CA 2.011 56.500 54.840 -0.585 0.000 0.752 197 L CB -0.324 41.269 42.059 -0.777 0.000 0.891 197 L HN 0.747 nan 8.230 nan 0.000 0.432 198 S N -1.090 114.547 115.700 -0.105 0.000 2.370 198 S HA -0.227 4.243 4.470 -0.000 0.000 0.226 198 S C 1.556 176.123 174.600 -0.055 0.000 1.033 198 S CA 1.432 59.589 58.200 -0.072 0.000 1.011 198 S CB -0.511 62.652 63.200 -0.062 0.000 0.852 198 S HN 0.441 nan 8.310 nan 0.000 0.457 199 D N 1.530 121.917 120.400 -0.021 0.000 2.117 199 D HA -0.027 4.613 4.640 -0.000 0.000 0.197 199 D C 2.066 178.330 176.300 -0.060 0.000 0.987 199 D CA 0.787 54.769 54.000 -0.030 0.000 0.829 199 D CB -0.515 40.296 40.800 0.018 0.000 0.961 199 D HN 0.275 nan 8.370 nan 0.000 0.460 200 L N 0.927 122.125 121.223 -0.042 0.000 2.012 200 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 200 L C 2.193 179.032 176.870 -0.051 0.000 1.073 200 L CA 1.384 56.202 54.840 -0.036 0.000 0.748 200 L CB -0.927 41.145 42.059 0.021 0.000 0.891 200 L HN 0.083 nan 8.230 nan 0.000 0.431 201 L N -0.198 120.989 121.223 -0.060 0.000 1.994 201 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 201 L C 1.476 178.316 176.870 -0.051 0.000 1.071 201 L CA 0.941 55.751 54.840 -0.050 0.000 0.745 201 L CB -0.716 41.311 42.059 -0.054 0.000 0.892 201 L HN 0.403 nan 8.230 nan 0.000 0.431 205 D N 0.689 121.063 120.400 -0.042 0.000 2.305 205 D HA 0.146 4.786 4.640 -0.000 0.000 0.206 205 D C 0.217 176.485 176.300 -0.053 0.000 0.974 205 D CA 1.053 55.007 54.000 -0.076 0.000 0.871 205 D CB 0.575 41.327 40.800 -0.080 0.000 0.947 205 D HN 0.259 nan 8.370 nan 0.000 0.516 206 V N 1.243 121.151 119.914 -0.009 0.000 2.733 206 V HA 0.284 4.404 4.120 -0.000 0.000 0.306 206 V C -0.369 175.745 176.094 0.033 0.000 1.084 206 V CA -0.811 61.494 62.300 0.009 0.000 0.905 206 V CB 2.940 34.782 31.823 0.032 0.000 1.010 206 V HN -0.295 nan 8.190 nan 0.000 0.424 207 V N 3.060 122.987 119.914 0.022 0.000 2.448 207 V HA 0.684 4.804 4.120 -0.000 0.000 0.295 207 V C -0.084 176.028 176.094 0.031 0.000 1.025 207 V CA -0.240 62.082 62.300 0.036 0.000 0.859 207 V CB 2.007 33.836 31.823 0.010 0.000 0.988 207 V HN 0.868 nan 8.190 nan 0.000 0.431 208 S N 5.097 120.830 115.700 0.055 0.000 2.532 208 S HA 0.754 5.224 4.470 -0.000 0.000 0.299 208 S C -1.011 173.508 174.600 -0.134 0.000 1.105 208 S CA -0.513 57.681 58.200 -0.011 0.000 1.018 208 S CB 0.940 64.223 63.200 0.138 0.000 1.021 208 S HN 0.548 nan 8.310 nan 0.000 0.483 209 L N 5.634 126.673 121.223 -0.307 0.000 2.275 209 L HA 0.546 4.886 4.340 -0.000 0.000 0.288 209 L C -0.117 176.392 176.870 -0.603 0.000 1.046 209 L CA -0.438 54.233 54.840 -0.281 0.000 0.805 209 L CB 0.931 42.918 42.059 -0.121 0.000 1.193 209 L HN 0.687 nan 8.230 nan 0.000 0.426 210 H N 3.752 122.882 119.070 0.100 0.000 2.511 210 H HA 0.333 4.888 4.556 -0.000 0.000 0.228 210 H C -0.752 174.633 175.328 0.096 0.000 1.424 210 H CA -0.215 55.886 56.048 0.089 0.000 1.321 210 H CB 0.860 30.670 29.762 0.079 0.000 1.720 210 H HN 0.368 nan 8.280 nan 0.000 0.512 211 V N -0.614 119.377 119.914 0.129 0.000 2.919 211 V HA 0.686 4.806 4.120 -0.000 0.000 0.316 211 V C -2.233 173.924 176.094 0.105 0.000 1.077 211 V CA -2.268 60.106 62.300 0.123 0.000 0.977 211 V CB 2.534 34.423 31.823 0.109 0.000 1.039 211 V HN 0.115 nan 8.190 nan 0.000 0.441 212 P HA 0.304 nan 4.420 nan 0.000 0.274 212 P C -0.976 176.362 177.300 0.064 0.000 1.246 212 P CA -0.070 63.082 63.100 0.087 0.000 0.795 212 P CB 0.985 32.740 31.700 0.091 0.000 1.006 213 E N 1.797 122.026 120.200 0.049 0.000 2.130 213 E HA 0.332 4.682 4.350 -0.000 0.000 0.284 213 E C -0.592 176.028 176.600 0.034 0.000 1.018 213 E CA -0.205 56.217 56.400 0.036 0.000 0.817 213 E CB -0.238 29.477 29.700 0.025 0.000 1.078 213 E HN 0.585 nan 8.360 nan 0.000 0.396 214 N N 2.365 121.086 118.700 0.035 0.000 3.501 214 N HA 0.277 5.017 4.740 -0.000 0.000 0.235 214 N C -2.638 172.892 175.510 0.032 0.000 1.442 214 N CA -1.136 51.933 53.050 0.032 0.000 0.872 214 N CB 0.504 39.014 38.487 0.038 0.000 1.414 214 N HN 0.050 nan 8.380 nan 0.000 0.485 215 P HA -0.180 nan 4.420 nan 0.000 0.216 215 P C 0.940 178.261 177.300 0.035 0.000 1.153 215 P CA 2.469 65.586 63.100 0.029 0.000 0.858 215 P CB -0.023 31.692 31.700 0.026 0.000 0.789 216 S N -2.092 113.633 115.700 0.042 0.000 2.595 216 S HA -0.048 4.421 4.470 -0.000 0.000 0.235 216 S C 1.332 175.967 174.600 0.060 0.000 0.974 216 S CA 1.397 59.629 58.200 0.052 0.000 0.942 216 S CB -1.401 61.834 63.200 0.059 0.000 0.766 216 S HN 0.330 nan 8.310 nan 0.000 0.536 217 T N -2.851 111.734 114.554 0.052 0.000 2.993 217 T HA 0.307 4.657 4.350 -0.000 0.000 0.260 217 T C 0.235 174.958 174.700 0.038 0.000 0.939 217 T CA -0.480 61.652 62.100 0.053 0.000 0.886 217 T CB -0.364 68.540 68.868 0.060 0.000 1.209 217 T HN 0.305 nan 8.240 nan 0.000 0.518 218 K N 2.736 123.155 120.400 0.032 0.000 2.453 218 K HA 0.041 4.361 4.320 -0.000 0.000 0.280 218 K C 0.018 176.631 176.600 0.021 0.000 1.045 218 K CA 0.070 56.371 56.287 0.024 0.000 1.059 218 K CB -0.087 32.425 32.500 0.021 0.000 0.901 218 K HN 0.390 nan 8.250 nan 0.000 0.475 223 A N -0.182 122.630 122.820 -0.014 0.000 1.940 223 A HA -0.030 4.289 4.320 -0.000 0.000 0.219 223 A C 2.135 179.699 177.584 -0.032 0.000 1.176 223 A CA 2.568 54.591 52.037 -0.022 0.000 0.631 223 A CB -0.530 18.456 19.000 -0.024 0.000 0.814 223 A HN 0.672 nan 8.150 nan 0.000 0.446 224 K N -0.509 119.874 120.400 -0.029 0.000 2.002 224 K HA -0.204 4.116 4.320 -0.000 0.000 0.209 224 K C 1.900 178.481 176.600 -0.032 0.000 1.048 224 K CA 1.758 58.024 56.287 -0.034 0.000 0.930 224 K CB -0.156 32.326 32.500 -0.029 0.000 0.714 224 K HN 0.380 nan 8.250 nan 0.000 0.438 225 E N 0.963 121.148 120.200 -0.026 0.000 2.051 225 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 225 E C 1.888 178.485 176.600 -0.005 0.000 0.991 225 E CA 1.400 57.784 56.400 -0.026 0.000 0.799 225 E CB -0.180 29.502 29.700 -0.031 0.000 0.748 225 E HN 0.397 nan 8.360 nan 0.000 0.449 226 I N 0.893 121.467 120.570 0.006 0.000 2.493 226 I HA -0.230 3.939 4.170 -0.000 0.000 0.254 226 I C 2.111 178.292 176.117 0.106 0.000 1.160 226 I CA 1.285 62.616 61.300 0.051 0.000 1.445 226 I CB -0.410 37.616 38.000 0.044 0.000 1.086 226 I HN 0.116 nan 8.210 nan 0.000 0.433 227 S N 0.611 116.304 115.700 -0.012 0.000 2.461 227 S HA 0.066 4.536 4.470 -0.000 0.000 0.228 227 S C 1.014 175.605 174.600 -0.014 0.000 1.005 227 S CA 0.103 58.219 58.200 -0.140 0.000 0.942 227 S CB -0.470 62.627 63.200 -0.170 0.000 0.776 227 S HN 0.246 nan 8.310 nan 0.000 0.514 231 P HA 0.180 nan 4.420 nan 0.000 0.276 231 P C 0.034 177.210 177.300 -0.207 0.000 1.230 231 P CA 0.929 63.901 63.100 -0.213 0.000 0.776 231 P CB 0.946 32.633 31.700 -0.021 0.000 0.888 232 G N 1.532 110.193 108.800 -0.231 0.000 2.143 232 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.248 232 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.248 232 G C 0.394 175.185 174.900 -0.180 0.000 0.991 232 G CA 0.329 45.335 45.100 -0.157 0.000 0.689 232 G HN 0.757 nan 8.290 nan 0.000 0.522 233 S N -0.898 114.672 115.700 -0.217 0.000 2.686 233 S HA 0.850 5.319 4.470 -0.000 0.000 0.270 233 S C 0.122 174.646 174.600 -0.126 0.000 1.194 233 S CA -0.750 57.349 58.200 -0.168 0.000 0.990 233 S CB 1.855 64.956 63.200 -0.165 0.000 1.029 233 S HN 0.758 nan 8.310 nan 0.000 0.560 234 L N 0.647 121.820 121.223 -0.083 0.000 2.381 234 L HA 0.622 4.962 4.340 -0.000 0.000 0.268 234 L C -1.212 175.633 176.870 -0.041 0.000 0.997 234 L CA -0.995 53.813 54.840 -0.053 0.000 0.818 234 L CB 1.771 43.816 42.059 -0.023 0.000 1.310 234 L HN 0.566 nan 8.230 nan 0.000 0.416 235 L N 3.951 125.150 121.223 -0.040 0.000 2.333 235 L HA 0.650 4.990 4.340 -0.000 0.000 0.280 235 L C -0.908 175.950 176.870 -0.021 0.000 1.004 235 L CA -0.040 54.782 54.840 -0.030 0.000 0.820 235 L CB 1.485 43.522 42.059 -0.038 0.000 1.247 235 L HN 0.394 nan 8.230 nan 0.000 0.416 236 I N 4.737 125.297 120.570 -0.016 0.000 2.466 236 I HA 0.395 4.565 4.170 -0.000 0.000 0.289 236 I C -0.582 175.507 176.117 -0.046 0.000 1.026 236 I CA -0.467 60.826 61.300 -0.012 0.000 1.078 236 I CB 1.875 39.884 38.000 0.016 0.000 1.249 236 I HN 0.658 nan 8.210 nan 0.000 0.429 237 N N 4.464 123.143 118.700 -0.036 0.000 2.617 237 N HA 0.460 5.199 4.740 -0.000 0.000 0.263 237 N C 0.179 175.676 175.510 -0.022 0.000 1.074 237 N CA -0.084 52.933 53.050 -0.055 0.000 0.841 237 N CB 1.461 39.929 38.487 -0.033 0.000 1.221 237 N HN 0.773 nan 8.380 nan 0.000 0.529 238 A N 1.703 124.511 122.820 -0.020 0.000 2.195 238 A HA 0.195 4.515 4.320 -0.000 0.000 0.210 238 A C 0.898 178.514 177.584 0.053 0.000 1.165 238 A CA 0.129 52.195 52.037 0.048 0.000 0.806 238 A CB 0.109 19.187 19.000 0.129 0.000 0.847 238 A HN 0.529 nan 8.150 nan 0.000 0.482 239 S N -0.299 115.415 115.700 0.022 0.000 2.563 239 S HA 0.109 4.579 4.470 -0.000 0.000 0.269 239 S C 0.862 175.483 174.600 0.035 0.000 1.364 239 S CA 0.167 58.392 58.200 0.042 0.000 1.010 239 S CB 0.354 63.565 63.200 0.018 0.000 0.877 239 S HN 0.443 nan 8.310 nan 0.000 0.549 240 R N 0.595 121.117 120.500 0.037 0.000 2.831 240 R HA 0.366 4.706 4.340 -0.000 0.000 0.337 240 R C 0.353 176.664 176.300 0.019 0.000 1.200 240 R CA -0.002 56.113 56.100 0.025 0.000 1.088 240 R CB -0.346 29.966 30.300 0.020 0.000 1.397 240 R HN 0.665 nan 8.270 nan 0.000 0.581 241 G N -1.989 106.823 108.800 0.020 0.000 3.176 241 G HA2 0.271 4.231 3.960 -0.000 0.000 0.272 241 G HA3 0.271 4.231 3.960 -0.000 0.000 0.272 241 G C -0.765 174.144 174.900 0.015 0.000 1.349 241 G CA -0.384 44.726 45.100 0.018 0.000 0.953 241 G HN 0.142 nan 8.290 nan 0.000 0.559 242 T N -1.035 113.528 114.554 0.015 0.000 3.243 242 T HA 0.356 4.706 4.350 -0.000 0.000 0.245 242 T C 1.058 175.767 174.700 0.014 0.000 1.263 242 T CA -0.348 61.760 62.100 0.014 0.000 1.228 242 T CB 0.594 69.470 68.868 0.013 0.000 1.097 242 T HN 0.161 nan 8.240 nan 0.000 0.628 243 V N 0.771 120.693 119.914 0.013 0.000 2.591 243 V HA 0.050 4.170 4.120 -0.000 0.000 0.249 243 V C 1.204 177.303 176.094 0.009 0.000 1.053 243 V CA 0.683 62.991 62.300 0.014 0.000 1.068 243 V CB -0.102 31.729 31.823 0.013 0.000 0.689 243 V HN 0.620 nan 8.190 nan 0.000 0.462 244 V N 0.819 120.736 119.914 0.005 0.000 2.483 244 V HA 0.304 4.424 4.120 -0.000 0.000 0.295 244 V C -0.152 175.945 176.094 0.005 0.000 1.035 244 V CA -0.790 61.511 62.300 0.002 0.000 0.896 244 V CB 1.796 33.617 31.823 -0.004 0.000 0.986 244 V HN 0.304 nan 8.190 nan 0.000 0.447 245 D N 3.511 123.913 120.400 0.004 0.000 2.374 245 D HA 0.125 4.765 4.640 -0.000 0.000 0.240 245 D C 0.895 177.201 176.300 0.009 0.000 1.229 245 D CA -0.317 53.687 54.000 0.008 0.000 0.895 245 D CB 1.156 41.960 40.800 0.006 0.000 1.046 245 D HN 0.338 nan 8.370 nan 0.000 0.498 246 I N 6.536 127.116 120.570 0.016 0.000 2.151 246 I HA -0.201 3.969 4.170 -0.000 0.000 0.243 246 I C -0.817 175.320 176.117 0.032 0.000 1.080 246 I CA 0.990 62.304 61.300 0.024 0.000 1.339 246 I CB -1.416 36.605 38.000 0.036 0.000 1.039 246 I HN 0.441 nan 8.210 nan 0.000 0.409 247 P HA -0.210 nan 4.420 nan 0.000 0.216 247 P C 1.617 178.934 177.300 0.028 0.000 1.153 247 P CA 2.237 65.360 63.100 0.038 0.000 0.858 247 P CB -0.092 31.626 31.700 0.029 0.000 0.789 248 A N -0.818 122.010 122.820 0.013 0.000 1.877 248 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 248 A C 2.149 179.728 177.584 -0.008 0.000 1.186 248 A CA 1.519 53.558 52.037 0.002 0.000 0.620 248 A CB -1.693 17.306 19.000 -0.002 0.000 0.822 248 A HN 0.157 nan 8.150 nan 0.000 0.443 249 L N -0.026 121.187 121.223 -0.016 0.000 2.012 249 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 249 L C 2.666 179.472 176.870 -0.107 0.000 1.073 249 L CA 2.347 57.156 54.840 -0.050 0.000 0.748 249 L CB -0.908 41.124 42.059 -0.045 0.000 0.891 249 L HN 0.360 nan 8.230 nan 0.000 0.431 250 A N -0.714 122.073 122.820 -0.055 0.000 1.883 250 A HA -0.260 4.059 4.320 -0.000 0.000 0.217 250 A C 2.028 179.587 177.584 -0.042 0.000 1.186 250 A CA 2.048 54.060 52.037 -0.043 0.000 0.624 250 A CB -0.976 18.149 19.000 0.208 0.000 0.822 250 A HN 0.570 nan 8.150 nan 0.000 0.444 251 D N 0.003 120.412 120.400 0.015 0.000 2.123 251 D HA -0.085 4.555 4.640 -0.000 0.000 0.196 251 D C 2.196 178.491 176.300 -0.010 0.000 0.992 251 D CA 1.633 55.649 54.000 0.026 0.000 0.833 251 D CB -0.502 40.310 40.800 0.019 0.000 0.954 251 D HN 0.441 nan 8.370 nan 0.000 0.455 252 A N 0.257 123.058 122.820 -0.032 0.000 2.019 252 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 252 A C 2.348 179.898 177.584 -0.056 0.000 1.164 252 A CA 0.807 52.846 52.037 0.003 0.000 0.644 252 A CB -0.527 18.498 19.000 0.042 0.000 0.805 252 A HN 0.203 nan 8.150 nan 0.000 0.449 253 L N -1.283 119.806 121.223 -0.222 0.000 2.127 253 L HA -0.041 4.299 4.340 -0.000 0.000 0.203 253 L C 3.059 179.820 176.870 -0.182 0.000 1.080 253 L CA 0.850 55.464 54.840 -0.377 0.000 0.768 253 L CB -0.494 40.955 42.059 -1.017 0.000 0.924 253 L HN 0.374 nan 8.230 nan 0.000 0.444 254 A N 0.172 122.964 122.820 -0.047 0.000 1.933 254 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 254 A C 2.404 180.047 177.584 0.099 0.000 1.175 254 A CA 1.992 54.140 52.037 0.184 0.000 0.628 254 A CB -0.685 18.461 19.000 0.244 0.000 0.814 254 A HN 0.501 nan 8.150 nan 0.000 0.444 255 S N -2.274 113.461 115.700 0.058 0.000 2.607 255 S HA 0.115 4.585 4.470 -0.000 0.000 0.224 255 S C 0.799 175.437 174.600 0.063 0.000 0.969 255 S CA 0.961 59.194 58.200 0.056 0.000 0.927 255 S CB -0.044 63.183 63.200 0.044 0.000 0.772 255 S HN 0.393 nan 8.310 nan 0.000 0.533 256 K N -0.179 120.251 120.400 0.048 0.000 3.407 256 K HA -0.225 4.095 4.320 -0.000 0.000 0.312 256 K C 0.498 177.127 176.600 0.048 0.000 1.302 256 K CA 1.127 57.437 56.287 0.039 0.000 0.931 256 K CB -2.608 29.920 32.500 0.047 0.000 1.257 256 K HN 0.742 nan 8.250 nan 0.000 0.454 257 H N -0.230 118.821 119.070 -0.031 0.000 2.353 257 H HA 0.122 4.678 4.556 -0.000 0.000 0.300 257 H C 0.369 175.671 175.328 -0.043 0.000 1.090 257 H CA 1.828 57.855 56.048 -0.034 0.000 1.327 257 H CB 0.281 30.019 29.762 -0.040 0.000 1.383 257 H HN 0.248 nan 8.280 nan 0.000 0.508 258 L N -0.071 121.063 121.223 -0.148 0.000 2.325 258 L HA 0.429 4.769 4.340 -0.000 0.000 0.278 258 L C 0.985 177.789 176.870 -0.111 0.000 1.023 258 L CA -0.273 54.453 54.840 -0.190 0.000 0.811 258 L CB 1.869 43.841 42.059 -0.145 0.000 1.249 258 L HN 0.142 nan 8.230 nan 0.000 0.431 259 A N 2.016 124.783 122.820 -0.088 0.000 2.275 259 A HA 0.582 4.902 4.320 -0.000 0.000 0.212 259 A C 0.743 178.315 177.584 -0.020 0.000 1.201 259 A CA 0.624 52.644 52.037 -0.028 0.000 0.843 259 A CB -0.087 18.921 19.000 0.012 0.000 0.873 259 A HN 0.908 nan 8.150 nan 0.000 0.492 260 G N -2.922 105.847 108.800 -0.052 0.000 2.320 260 G HA2 0.631 4.591 3.960 -0.000 0.000 0.297 260 G HA3 0.631 4.591 3.960 -0.000 0.000 0.297 260 G C -1.067 173.804 174.900 -0.049 0.000 1.344 260 G CA 0.019 45.095 45.100 -0.039 0.000 0.851 260 G HN 1.504 nan 8.290 nan 0.000 0.567 261 A N -1.523 121.279 122.820 -0.030 0.000 2.566 261 A HA 1.066 5.386 4.320 -0.000 0.000 0.290 261 A C -0.784 176.800 177.584 -0.000 0.000 1.071 261 A CA 0.350 52.372 52.037 -0.024 0.000 0.658 261 A CB 0.950 19.921 19.000 -0.049 0.000 1.285 261 A HN 2.625 nan 8.150 nan 0.000 0.427 262 A N 0.487 123.310 122.820 0.004 0.000 2.381 262 A HA 0.807 5.127 4.320 -0.000 0.000 0.299 262 A C -1.000 176.592 177.584 0.014 0.000 1.049 262 A CA -0.253 51.793 52.037 0.017 0.000 0.715 262 A CB 0.632 19.646 19.000 0.024 0.000 1.222 262 A HN 0.978 nan 8.150 nan 0.000 0.428 263 I N 1.384 121.965 120.570 0.019 0.000 2.769 263 I HA 0.291 4.461 4.170 -0.000 0.000 0.298 263 I C -0.883 175.247 176.117 0.022 0.000 1.128 263 I CA -0.790 60.520 61.300 0.017 0.000 1.031 263 I CB 2.276 40.286 38.000 0.017 0.000 1.235 263 I HN 0.700 nan 8.210 nan 0.000 0.423 264 D N 3.670 124.083 120.400 0.021 0.000 2.339 264 D HA 0.436 5.076 4.640 -0.000 0.000 0.245 264 D C -0.627 175.686 176.300 0.020 0.000 1.115 264 D CA 0.022 54.035 54.000 0.022 0.000 0.917 264 D CB 1.929 42.743 40.800 0.024 0.000 1.192 264 D HN 0.352 nan 8.370 nan 0.000 0.428 280 P HA 0.131 nan 4.420 nan 0.000 0.225 280 P C 0.908 178.292 177.300 0.140 0.000 1.148 280 P CA 0.690 63.835 63.100 0.074 0.000 0.779 280 P CB 0.083 31.843 31.700 0.100 0.000 0.780 281 L N -1.927 119.402 121.223 0.176 0.000 2.567 281 L HA 0.167 4.506 4.340 -0.000 0.000 0.225 281 L C 2.177 179.158 176.870 0.185 0.000 1.119 281 L CA 0.340 55.376 54.840 0.325 0.000 0.871 281 L CB -0.694 41.504 42.059 0.232 0.000 1.036 281 L HN -0.078 nan 8.230 nan 0.000 0.459 282 A N 1.428 124.280 122.820 0.053 0.000 2.024 282 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 282 A C 2.130 179.678 177.584 -0.060 0.000 1.164 282 A CA 1.733 53.773 52.037 0.006 0.000 0.643 282 A CB -0.351 18.642 19.000 -0.011 0.000 0.806 282 A HN 0.656 nan 8.150 nan 0.000 0.451 283 E N -1.500 118.581 120.200 -0.199 0.000 2.427 283 E HA 0.005 4.355 4.350 -0.000 0.000 0.196 283 E C -0.583 175.778 176.600 -0.399 0.000 1.028 283 E CA -0.001 56.189 56.400 -0.351 0.000 0.864 283 E CB -0.244 29.139 29.700 -0.529 0.000 0.813 283 E HN 0.525 nan 8.360 nan 0.000 0.514 284 F N 2.292 122.248 119.950 0.010 0.000 2.390 284 F HA 0.199 4.725 4.527 -0.000 0.000 0.361 284 F C 0.708 176.514 175.800 0.011 0.000 1.124 284 F CA -1.012 56.995 58.000 0.012 0.000 1.149 284 F CB 1.123 40.131 39.000 0.014 0.000 1.160 284 F HN -0.199 nan 8.300 nan 0.000 0.501 285 D N 1.163 121.659 120.400 0.161 0.000 2.264 285 D HA -0.156 4.484 4.640 -0.000 0.000 0.208 285 D C 1.318 177.680 176.300 0.104 0.000 0.966 285 D CA 1.072 55.132 54.000 0.100 0.000 0.864 285 D CB -0.197 40.646 40.800 0.071 0.000 0.933 285 D HN 0.655 nan 8.370 nan 0.000 0.499 286 N N -0.181 118.600 118.700 0.135 0.000 2.322 286 N HA 0.084 4.824 4.740 -0.000 0.000 0.216 286 N C -0.583 174.968 175.510 0.069 0.000 1.144 286 N CA -0.202 52.900 53.050 0.087 0.000 0.830 286 N CB 0.621 39.151 38.487 0.071 0.000 1.034 286 N HN -0.183 nan 8.380 nan 0.000 0.484 287 V N 1.367 121.338 119.914 0.095 0.000 2.540 287 V HA 0.338 4.458 4.120 -0.000 0.000 0.302 287 V C -0.270 175.861 176.094 0.061 0.000 1.035 287 V CA -0.811 61.533 62.300 0.072 0.000 0.873 287 V CB 2.172 34.061 31.823 0.111 0.000 0.992 287 V HN 0.233 nan 8.190 nan 0.000 0.428 288 L N 5.436 126.684 121.223 0.041 0.000 2.275 288 L HA 0.533 4.873 4.340 -0.000 0.000 0.288 288 L C -1.115 175.775 176.870 0.033 0.000 1.046 288 L CA -0.569 54.291 54.840 0.033 0.000 0.805 288 L CB 1.427 43.503 42.059 0.028 0.000 1.193 288 L HN 0.392 nan 8.230 nan 0.000 0.426 289 L N 3.432 124.673 121.223 0.030 0.000 2.319 289 L HA 0.532 4.871 4.340 -0.000 0.000 0.281 289 L C 0.313 177.195 176.870 0.020 0.000 1.005 289 L CA -0.146 54.710 54.840 0.028 0.000 0.828 289 L CB 1.757 43.834 42.059 0.031 0.000 1.227 289 L HN 0.593 nan 8.230 nan 0.000 0.415 290 T N 1.027 115.594 114.554 0.021 0.000 2.932 290 T HA 0.787 5.137 4.350 -0.000 0.000 0.289 290 T C -2.596 172.114 174.700 0.017 0.000 1.039 290 T CA -2.288 59.823 62.100 0.018 0.000 1.024 290 T CB 1.989 70.870 68.868 0.022 0.000 1.090 290 T HN 0.168 nan 8.240 nan 0.000 0.496 300 A N 1.204 124.032 122.820 0.013 0.000 2.248 300 A HA -0.175 4.145 4.320 -0.000 0.000 0.210 300 A C 1.913 179.543 177.584 0.076 0.000 1.174 300 A CA 1.227 53.290 52.037 0.044 0.000 0.750 300 A CB -0.446 18.574 19.000 0.033 0.000 0.780 300 A HN 0.143 nan 8.150 nan 0.000 0.478 301 Q N 0.387 120.221 119.800 0.056 0.000 2.389 301 Q HA -0.238 4.102 4.340 -0.000 0.000 0.213 301 Q C 1.716 177.898 176.000 0.303 0.000 0.989 301 Q CA 2.040 57.907 55.803 0.107 0.000 0.891 301 Q CB -0.310 28.419 28.738 -0.016 0.000 0.923 301 Q HN 0.803 nan 8.270 nan 0.000 0.455 302 E N -0.832 119.614 120.200 0.409 0.000 2.072 302 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 302 E C 1.407 178.089 176.600 0.137 0.000 0.985 302 E CA 1.132 57.768 56.400 0.394 0.000 0.801 302 E CB 0.026 29.887 29.700 0.268 0.000 0.750 302 E HN 0.474 nan 8.360 nan 0.000 0.452 303 N N 0.801 119.563 118.700 0.104 0.000 2.039 303 N HA -0.171 4.569 4.740 -0.000 0.000 0.193 303 N C 2.097 177.636 175.510 0.049 0.000 1.044 303 N CA 1.337 54.418 53.050 0.052 0.000 0.847 303 N CB -0.405 38.105 38.487 0.038 0.000 1.030 303 N HN 0.246 nan 8.380 nan 0.000 0.422 304 I N 1.022 121.634 120.570 0.070 0.000 2.185 304 I HA -0.253 3.917 4.170 -0.000 0.000 0.246 304 I C 2.446 178.635 176.117 0.120 0.000 1.088 304 I CA 1.518 62.854 61.300 0.061 0.000 1.347 304 I CB -0.760 37.304 38.000 0.107 0.000 1.041 304 I HN 0.194 nan 8.210 nan 0.000 0.415 305 G N 0.840 109.778 108.800 0.230 0.000 2.421 305 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.216 305 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.216 305 G C 1.613 176.614 174.900 0.168 0.000 1.171 305 G CA 0.624 45.919 45.100 0.324 0.000 0.775 305 G HN 0.280 nan 8.290 nan 0.000 0.543 306 L N 0.510 121.761 121.223 0.046 0.000 2.156 306 L HA 0.172 4.512 4.340 -0.000 0.000 0.208 306 L C 2.484 179.325 176.870 -0.047 0.000 1.095 306 L CA 2.211 57.043 54.840 -0.014 0.000 0.770 306 L CB -0.423 41.619 42.059 -0.029 0.000 0.914 306 L HN 0.459 nan 8.230 nan 0.000 0.439 307 E N -0.930 119.234 120.200 -0.060 0.000 2.016 307 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 307 E C 2.014 178.493 176.600 -0.201 0.000 0.985 307 E CA 1.684 58.022 56.400 -0.104 0.000 0.802 307 E CB -0.081 29.564 29.700 -0.092 0.000 0.762 307 E HN 0.295 nan 8.360 nan 0.000 0.448 308 V N 1.647 121.364 119.914 -0.328 0.000 2.287 308 V HA -0.277 3.842 4.120 -0.000 0.000 0.248 308 V C 2.560 178.377 176.094 -0.462 0.000 1.053 308 V CA 1.933 63.886 62.300 -0.578 0.000 1.027 308 V CB -0.995 30.032 31.823 -1.328 0.000 0.646 308 V HN 0.483 nan 8.190 nan 0.000 0.447 309 A N 0.617 123.296 122.820 -0.235 0.000 1.978 309 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 309 A C 2.371 179.833 177.584 -0.204 0.000 1.170 309 A CA 1.952 53.942 52.037 -0.077 0.000 0.636 309 A CB -1.130 17.894 19.000 0.040 0.000 0.810 309 A HN 0.566 nan 8.150 nan 0.000 0.448 310 G N -0.607 108.077 108.800 -0.194 0.000 2.443 310 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.219 310 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.219 310 G C 1.618 176.356 174.900 -0.270 0.000 1.131 310 G CA 0.884 45.872 45.100 -0.187 0.000 0.775 310 G HN 0.403 nan 8.290 nan 0.000 0.547 311 K N -0.004 120.160 120.400 -0.393 0.000 2.031 311 K HA 0.088 4.408 4.320 -0.000 0.000 0.205 311 K C 2.432 178.529 176.600 -0.838 0.000 1.049 311 K CA 0.329 56.202 56.287 -0.690 0.000 0.939 311 K CB -0.803 31.161 32.500 -0.893 0.000 0.717 311 K HN 0.194 nan 8.250 nan 0.000 0.438 312 L N 1.641 122.467 121.223 -0.661 0.000 2.043 312 L HA -0.141 4.198 4.340 -0.000 0.000 0.212 312 L C 2.369 178.948 176.870 -0.485 0.000 1.075 312 L CA 1.324 55.841 54.840 -0.538 0.000 0.752 312 L CB -0.797 40.994 42.059 -0.446 0.000 0.891 312 L HN 0.196 nan 8.230 nan 0.000 0.432 313 I N -1.013 119.311 120.570 -0.409 0.000 2.233 313 I HA -0.299 3.871 4.170 -0.000 0.000 0.243 313 I C 2.356 178.398 176.117 -0.126 0.000 1.093 313 I CA 1.259 62.369 61.300 -0.316 0.000 1.380 313 I CB -0.082 37.778 38.000 -0.232 0.000 1.067 313 I HN 0.248 nan 8.210 nan 0.000 0.413 314 K N -0.068 120.258 120.400 -0.123 0.000 2.097 314 K HA -0.241 4.078 4.320 -0.000 0.000 0.206 314 K C 2.099 178.728 176.600 0.048 0.000 1.049 314 K CA 1.916 58.187 56.287 -0.028 0.000 0.933 314 K CB -0.434 32.038 32.500 -0.046 0.000 0.717 314 K HN 0.467 nan 8.250 nan 0.000 0.442 315 Y N 1.178 121.409 120.300 -0.115 0.000 2.163 315 Y HA -0.252 4.297 4.550 -0.000 0.000 0.288 315 Y C 2.753 178.735 175.900 0.136 0.000 1.136 315 Y CA 1.637 59.760 58.100 0.038 0.000 1.147 315 Y CB -0.153 38.340 38.460 0.054 0.000 0.987 315 Y HN -0.008 nan 8.280 nan 0.000 0.509 316 S N -0.186 115.566 115.700 0.086 0.000 2.368 316 S HA -0.194 4.276 4.470 -0.000 0.000 0.225 316 S C 1.644 176.314 174.600 0.117 0.000 1.030 316 S CA 1.871 60.153 58.200 0.138 0.000 0.999 316 S CB -0.476 62.915 63.200 0.318 0.000 0.844 316 S HN 0.603 nan 8.310 nan 0.000 0.459 317 D N 1.146 121.629 120.400 0.138 0.000 2.110 317 D HA -0.032 4.608 4.640 -0.000 0.000 0.202 317 D C 1.565 177.987 176.300 0.204 0.000 0.975 317 D CA 1.386 55.495 54.000 0.183 0.000 0.839 317 D CB -0.440 40.461 40.800 0.167 0.000 0.996 317 D HN 0.844 nan 8.370 nan 0.000 0.464 318 N N -1.413 117.382 118.700 0.159 0.000 2.177 318 N HA 0.167 4.906 4.740 -0.000 0.000 0.218 318 N C 1.091 176.675 175.510 0.123 0.000 1.182 318 N CA 0.478 53.653 53.050 0.208 0.000 0.882 318 N CB 1.602 40.218 38.487 0.215 0.000 1.052 318 N HN 0.092 nan 8.380 nan 0.000 0.519 319 G N 1.092 109.920 108.800 0.048 0.000 2.148 319 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.254 319 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.254 319 G C -0.047 175.089 174.900 0.394 0.000 0.981 319 G CA 0.430 45.579 45.100 0.081 0.000 0.670 319 G HN 0.505 nan 8.290 nan 0.000 0.528 320 S N 0.567 116.467 115.700 0.335 0.000 2.498 320 S HA 0.459 4.929 4.470 -0.000 0.000 0.281 320 S C 1.535 176.456 174.600 0.535 0.000 1.265 320 S CA 1.124 59.536 58.200 0.352 0.000 1.071 320 S CB 0.501 63.828 63.200 0.212 0.000 0.894 320 S HN 1.131 nan 8.310 nan 0.000 0.491 321 T N 4.016 118.858 114.554 0.480 0.000 3.174 321 T HA 0.239 4.589 4.350 -0.000 0.000 0.269 321 T C 0.535 175.400 174.700 0.276 0.000 1.017 321 T CA -0.593 61.741 62.100 0.390 0.000 0.899 321 T CB -0.042 68.997 68.868 0.285 0.000 1.077 321 T HN 0.517 nan 8.240 nan 0.000 0.552 322 L N 2.331 123.727 121.223 0.288 0.000 2.559 322 L HA 0.143 4.482 4.340 -0.000 0.000 0.274 322 L C 0.410 177.417 176.870 0.228 0.000 1.205 322 L CA 1.399 56.365 54.840 0.210 0.000 0.907 322 L CB -0.559 41.614 42.059 0.189 0.000 1.153 322 L HN 0.671 nan 8.230 nan 0.000 0.490 323 S N 1.399 117.177 115.700 0.130 0.000 3.018 323 S HA -0.187 4.282 4.470 -0.000 0.000 0.274 323 S C 0.634 175.210 174.600 -0.040 0.000 1.300 323 S CA 0.912 59.148 58.200 0.060 0.000 1.179 323 S CB -1.643 61.596 63.200 0.066 0.000 1.427 323 S HN 1.159 nan 8.310 nan 0.000 0.668 324 A N 1.016 123.739 122.820 -0.161 0.000 2.445 324 A HA 0.526 4.846 4.320 -0.000 0.000 0.242 324 A C 1.455 178.890 177.584 -0.248 0.000 1.075 324 A CA 0.295 52.038 52.037 -0.491 0.000 0.777 324 A CB 0.326 18.928 19.000 -0.664 0.000 1.013 324 A HN 1.307 nan 8.150 nan 0.000 0.493 325 V N -0.440 119.322 119.914 -0.254 0.000 3.608 325 V HA 0.128 4.248 4.120 -0.000 0.000 0.269 325 V C 0.602 176.632 176.094 -0.108 0.000 1.245 325 V CA 1.145 63.357 62.300 -0.148 0.000 1.138 325 V CB -0.843 30.900 31.823 -0.134 0.000 0.841 325 V HN 0.957 nan 8.190 nan 0.000 0.451 326 N N -0.945 117.691 118.700 -0.107 0.000 2.390 326 N HA 0.266 5.006 4.740 -0.000 0.000 0.259 326 N C -1.009 174.531 175.510 0.051 0.000 1.395 326 N CA -0.335 52.688 53.050 -0.045 0.000 0.852 326 N CB 0.238 38.693 38.487 -0.054 0.000 1.371 326 N HN 0.499 nan 8.380 nan 0.000 0.491 327 F N 1.315 121.132 119.950 -0.221 0.000 2.619 327 F HA 0.569 5.096 4.527 -0.000 0.000 0.308 327 F C -2.308 173.404 175.800 -0.147 0.000 1.097 327 F CA -1.726 56.139 58.000 -0.224 0.000 0.953 327 F CB 2.570 41.355 39.000 -0.358 0.000 1.287 327 F HN -0.194 nan 8.300 nan 0.000 0.446 328 P HA 0.035 nan 4.420 nan 0.000 0.268 328 P C -1.365 175.977 177.300 0.070 0.000 1.204 328 P CA 0.115 63.158 63.100 -0.095 0.000 0.768 328 P CB 0.666 32.276 31.700 -0.150 0.000 0.842 329 E N 1.337 121.574 120.200 0.060 0.000 2.152 329 E HA 0.357 4.706 4.350 -0.000 0.000 0.285 329 E C -0.551 176.020 176.600 -0.048 0.000 1.043 329 E CA -0.647 55.799 56.400 0.075 0.000 0.839 329 E CB 0.997 30.740 29.700 0.073 0.000 1.069 329 E HN 0.193 nan 8.360 nan 0.000 0.399 330 V N 2.387 122.270 119.914 -0.052 0.000 2.709 330 V HA 0.470 4.590 4.120 -0.000 0.000 0.308 330 V C -0.511 175.443 176.094 -0.233 0.000 1.062 330 V CA -0.620 61.373 62.300 -0.512 0.000 0.901 330 V CB 2.192 33.726 31.823 -0.481 0.000 1.003 330 V HN 0.564 nan 8.190 nan 0.000 0.425 331 S N 3.941 119.454 115.700 -0.312 0.000 2.649 331 S HA 0.711 5.181 4.470 -0.000 0.000 0.274 331 S C -1.817 172.876 174.600 0.154 0.000 1.176 331 S CA -0.319 57.897 58.200 0.027 0.000 0.988 331 S CB 1.161 64.425 63.200 0.106 0.000 1.071 331 S HN 0.536 nan 8.310 nan 0.000 0.478 332 L N 5.769 127.059 121.223 0.112 0.000 2.362 332 L HA 0.718 5.058 4.340 -0.000 0.000 0.275 332 L C -2.403 174.471 176.870 0.008 0.000 0.998 332 L CA -1.812 53.087 54.840 0.097 0.000 0.820 332 L CB 1.364 43.467 42.059 0.073 0.000 1.270 332 L HN 0.440 nan 8.230 nan 0.000 0.415 333 P HA 0.171 nan 4.420 nan 0.000 0.267 333 P C -0.772 176.363 177.300 -0.275 0.000 1.205 333 P CA -0.079 62.904 63.100 -0.196 0.000 0.765 333 P CB 0.317 31.824 31.700 -0.321 0.000 0.828 334 L N 4.356 125.550 121.223 -0.048 0.000 2.485 334 L HA 0.080 4.420 4.340 -0.000 0.000 0.279 334 L C 0.854 177.834 176.870 0.184 0.000 1.124 334 L CA 0.398 55.273 54.840 0.058 0.000 0.888 334 L CB -0.464 41.622 42.059 0.046 0.000 1.217 334 L HN 0.587 nan 8.230 nan 0.000 0.464 335 H N 2.592 121.713 119.070 0.085 0.000 2.505 335 H HA 0.258 4.813 4.556 -0.000 0.000 0.260 335 H C 1.066 176.431 175.328 0.062 0.000 1.168 335 H CA -0.143 55.938 56.048 0.055 0.000 0.945 335 H CB 0.832 30.623 29.762 0.048 0.000 1.800 335 H HN 0.940 nan 8.280 nan 0.000 0.586 336 G N 0.465 109.368 108.800 0.172 0.000 2.697 336 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.240 336 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.240 336 G C 0.486 175.512 174.900 0.211 0.000 1.346 336 G CA -0.398 44.780 45.100 0.130 0.000 0.887 336 G HN 1.049 nan 8.290 nan 0.000 0.569 337 G N -1.388 107.513 108.800 0.169 0.000 2.593 337 G HA2 0.220 4.180 3.960 -0.000 0.000 0.237 337 G HA3 0.220 4.180 3.960 -0.000 0.000 0.237 337 G C -0.158 174.876 174.900 0.225 0.000 1.312 337 G CA 0.719 45.913 45.100 0.157 0.000 0.896 337 G HN 1.532 nan 8.290 nan 0.000 0.574 338 R N 0.226 120.793 120.500 0.112 0.000 2.532 338 R HA 0.685 5.025 4.340 -0.000 0.000 0.295 338 R C 0.324 176.535 176.300 -0.148 0.000 0.968 338 R CA -0.857 55.260 56.100 0.027 0.000 0.916 338 R CB 1.530 31.846 30.300 0.027 0.000 1.124 338 R HN 0.802 nan 8.270 nan 0.000 0.463 339 R N 3.083 123.307 120.500 -0.460 0.000 2.409 339 R HA 0.477 4.816 4.340 -0.000 0.000 0.313 339 R C -0.767 175.352 176.300 -0.302 0.000 0.953 339 R CA -0.349 55.450 56.100 -0.503 0.000 0.849 339 R CB 0.705 30.411 30.300 -0.990 0.000 1.171 339 R HN 0.522 nan 8.270 nan 0.000 0.458 343 I N 6.893 127.495 120.570 0.053 0.000 2.378 343 I HA 0.363 4.533 4.170 -0.000 0.000 0.291 343 I C -0.334 175.704 176.117 -0.132 0.000 0.992 343 I CA -0.521 60.811 61.300 0.054 0.000 1.154 343 I CB 0.980 39.053 38.000 0.123 0.000 1.315 343 I HN 0.625 nan 8.210 nan 0.000 0.448 344 H N 3.645 122.695 119.070 -0.034 0.000 2.990 344 H HA 0.506 5.062 4.556 -0.000 0.000 0.343 344 H C -1.305 174.024 175.328 0.002 0.000 1.270 344 H CA -1.106 54.931 56.048 -0.019 0.000 1.118 344 H CB 0.945 30.780 29.762 0.121 0.000 1.861 344 H HN 0.423 nan 8.280 nan 0.000 0.544 345 E N 0.520 120.807 120.200 0.144 0.000 2.383 345 E HA 0.003 4.353 4.350 -0.000 0.000 0.264 345 E C -0.247 176.457 176.600 0.174 0.000 1.050 345 E CA -0.345 56.101 56.400 0.078 0.000 0.896 345 E CB 0.696 30.436 29.700 0.067 0.000 0.982 345 E HN 0.393 nan 8.360 nan 0.000 0.424 346 N N 2.497 121.251 118.700 0.090 0.000 3.193 346 N HA -0.032 4.708 4.740 -0.000 0.000 0.312 346 N C -1.022 174.550 175.510 0.102 0.000 1.261 346 N CA 0.089 53.212 53.050 0.122 0.000 1.208 346 N CB 0.009 38.521 38.487 0.041 0.000 1.471 346 N HN 0.203 nan 8.380 nan 0.000 0.548 347 R N 0.878 121.449 120.500 0.119 0.000 2.312 347 R HA 0.367 4.707 4.340 -0.000 0.000 0.311 347 R C -2.362 173.967 176.300 0.047 0.000 1.004 347 R CA -1.724 54.415 56.100 0.065 0.000 0.902 347 R CB 0.404 30.737 30.300 0.054 0.000 1.073 347 R HN 0.156 nan 8.270 nan 0.000 0.457 348 P HA -0.001 nan 4.420 nan 0.000 0.266 348 P C 0.728 178.029 177.300 0.002 0.000 1.195 348 P CA 0.793 63.903 63.100 0.018 0.000 0.768 348 P CB 0.605 32.314 31.700 0.015 0.000 0.838 349 G N 0.569 109.362 108.800 -0.011 0.000 2.213 349 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.226 349 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.226 349 G C 0.960 175.825 174.900 -0.058 0.000 0.992 349 G CA 0.153 45.237 45.100 -0.026 0.000 0.632 349 G HN 0.393 nan 8.290 nan 0.000 0.511 350 V N 0.744 120.605 119.914 -0.088 0.000 2.307 350 V HA -0.070 4.050 4.120 -0.000 0.000 0.245 350 V C 2.653 178.627 176.094 -0.200 0.000 1.045 350 V CA 2.310 64.494 62.300 -0.194 0.000 1.024 350 V CB -0.472 31.112 31.823 -0.399 0.000 0.651 350 V HN 0.411 nan 8.190 nan 0.000 0.449 351 L N -0.106 121.038 121.223 -0.132 0.000 2.083 351 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 351 L C 2.477 179.317 176.870 -0.050 0.000 1.083 351 L CA 2.345 57.140 54.840 -0.074 0.000 0.752 351 L CB -0.934 41.117 42.059 -0.014 0.000 0.899 351 L HN 0.345 nan 8.230 nan 0.000 0.433 352 T N -0.263 114.265 114.554 -0.044 0.000 2.684 352 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 352 T C 1.897 176.572 174.700 -0.043 0.000 1.036 352 T CA 1.496 63.578 62.100 -0.030 0.000 1.148 352 T CB -0.529 68.324 68.868 -0.025 0.000 0.863 352 T HN 0.531 nan 8.240 nan 0.000 0.436 353 A N 1.082 123.860 122.820 -0.070 0.000 1.877 353 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 353 A C 2.330 179.848 177.584 -0.110 0.000 1.186 353 A CA 1.262 53.246 52.037 -0.088 0.000 0.620 353 A CB -0.909 18.030 19.000 -0.102 0.000 0.822 353 A HN 0.460 nan 8.150 nan 0.000 0.443 354 L N -0.504 120.642 121.223 -0.128 0.000 1.970 354 L HA -0.271 4.069 4.340 -0.000 0.000 0.212 354 L C 2.375 179.264 176.870 0.032 0.000 1.071 354 L CA 2.079 56.856 54.840 -0.104 0.000 0.751 354 L CB -0.767 41.240 42.059 -0.086 0.000 0.889 354 L HN 0.510 nan 8.230 nan 0.000 0.432 355 N N -0.572 118.176 118.700 0.080 0.000 2.289 355 N HA -0.183 4.557 4.740 -0.000 0.000 0.184 355 N C 1.689 177.253 175.510 0.091 0.000 1.016 355 N CA 0.768 53.905 53.050 0.145 0.000 0.872 355 N CB 0.036 38.569 38.487 0.076 0.000 0.973 355 N HN 0.326 nan 8.380 nan 0.000 0.433 356 K N 0.709 121.115 120.400 0.011 0.000 2.155 356 K HA -0.000 4.319 4.320 -0.000 0.000 0.203 356 K C 1.848 178.419 176.600 -0.048 0.000 1.052 356 K CA 0.649 56.929 56.287 -0.012 0.000 0.948 356 K CB 0.049 32.531 32.500 -0.031 0.000 0.728 356 K HN 0.204 nan 8.250 nan 0.000 0.448 357 I N 0.252 120.744 120.570 -0.130 0.000 2.179 357 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 357 I C 1.856 177.811 176.117 -0.270 0.000 1.088 357 I CA 1.501 62.644 61.300 -0.262 0.000 1.357 357 I CB -0.240 37.477 38.000 -0.471 0.000 1.051 357 I HN 0.040 nan 8.210 nan 0.000 0.409 358 F N 0.778 120.710 119.950 -0.030 0.000 2.206 358 F HA -0.097 4.429 4.527 -0.000 0.000 0.298 358 F C 2.564 178.355 175.800 -0.016 0.000 1.090 358 F CA 1.078 59.066 58.000 -0.021 0.000 1.323 358 F CB -1.004 37.983 39.000 -0.022 0.000 1.028 358 F HN -0.015 nan 8.300 nan 0.000 0.492 359 A N 0.475 123.381 122.820 0.144 0.000 1.841 359 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 359 A C 2.123 179.732 177.584 0.043 0.000 1.199 359 A CA 1.963 54.047 52.037 0.079 0.000 0.621 359 A CB -1.019 18.011 19.000 0.050 0.000 0.835 359 A HN 0.427 nan 8.150 nan 0.000 0.445 360 E N -0.311 119.896 120.200 0.012 0.000 2.171 360 E HA -0.256 4.094 4.350 -0.000 0.000 0.197 360 E C 1.918 178.518 176.600 -0.000 0.000 0.997 360 E CA 1.463 57.860 56.400 -0.005 0.000 0.810 360 E CB -0.226 29.457 29.700 -0.028 0.000 0.738 360 E HN 0.734 nan 8.360 nan 0.000 0.467 361 Q N -0.410 119.393 119.800 0.004 0.000 2.403 361 Q HA 0.086 4.425 4.340 -0.000 0.000 0.203 361 Q C 0.560 176.587 176.000 0.045 0.000 0.932 361 Q CA 0.267 56.079 55.803 0.015 0.000 0.945 361 Q CB 0.733 29.473 28.738 0.003 0.000 1.045 361 Q HN 0.345 nan 8.270 nan 0.000 0.511 362 G N 1.189 110.020 108.800 0.052 0.000 2.350 362 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.298 362 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.298 362 G C -0.293 174.649 174.900 0.071 0.000 1.037 362 G CA 0.056 45.188 45.100 0.052 0.000 1.074 362 G HN 0.200 nan 8.290 nan 0.000 0.511 363 V N 1.339 121.321 119.914 0.113 0.000 2.444 363 V HA 0.368 4.488 4.120 -0.000 0.000 0.294 363 V C 0.105 176.244 176.094 0.075 0.000 1.022 363 V CA -1.511 60.865 62.300 0.125 0.000 0.850 363 V CB 1.708 33.685 31.823 0.256 0.000 0.992 363 V HN 0.431 nan 8.190 nan 0.000 0.426 364 N N 4.425 123.136 118.700 0.019 0.000 2.520 364 N HA 0.408 5.148 4.740 -0.000 0.000 0.273 364 N C -0.482 174.970 175.510 -0.096 0.000 1.155 364 N CA -0.144 52.893 53.050 -0.022 0.000 0.967 364 N CB 1.886 40.366 38.487 -0.012 0.000 1.092 364 N HN 0.549 nan 8.380 nan 0.000 0.457 365 I N 1.860 122.353 120.570 -0.130 0.000 2.301 365 I HA 0.110 4.279 4.170 -0.000 0.000 0.292 365 I C 1.336 177.385 176.117 -0.113 0.000 1.046 365 I CA -0.319 60.858 61.300 -0.206 0.000 1.282 365 I CB 1.217 39.081 38.000 -0.227 0.000 1.409 365 I HN 0.575 nan 8.210 nan 0.000 0.484 366 A N 5.637 128.400 122.820 -0.095 0.000 1.898 366 A HA 0.470 4.790 4.320 -0.000 0.000 0.214 366 A C 1.029 178.598 177.584 -0.024 0.000 1.183 366 A CA 1.123 53.140 52.037 -0.034 0.000 0.622 366 A CB 0.092 19.092 19.000 0.000 0.000 0.824 366 A HN 0.738 nan 8.150 nan 0.000 0.444 367 A N -1.438 121.350 122.820 -0.052 0.000 2.574 367 A HA 0.666 4.986 4.320 -0.000 0.000 0.297 367 A C -0.929 176.619 177.584 -0.060 0.000 1.062 367 A CA -0.289 51.724 52.037 -0.040 0.000 0.686 367 A CB 1.047 20.035 19.000 -0.020 0.000 1.285 367 A HN 0.373 nan 8.150 nan 0.000 0.403 368 Q N 0.830 120.608 119.800 -0.036 0.000 2.263 368 Q HA 0.531 4.871 4.340 -0.000 0.000 0.262 368 Q C -2.539 173.493 176.000 0.052 0.000 0.984 368 Q CA -0.519 55.276 55.803 -0.014 0.000 0.813 368 Q CB 1.778 30.493 28.738 -0.039 0.000 1.299 368 Q HN 0.784 nan 8.270 nan 0.000 0.428 369 Y N 5.365 125.625 120.300 -0.068 0.000 2.332 369 Y HA 0.469 5.019 4.550 -0.000 0.000 0.326 369 Y C -1.852 174.008 175.900 -0.067 0.000 0.978 369 Y CA -1.296 56.770 58.100 -0.055 0.000 1.205 369 Y CB 1.332 39.759 38.460 -0.054 0.000 1.131 369 Y HN 0.646 nan 8.280 nan 0.000 0.462 370 L N 6.394 127.834 121.223 0.362 0.000 2.341 370 L HA 0.646 4.985 4.340 -0.000 0.000 0.278 370 L C -1.619 175.394 176.870 0.238 0.000 1.005 370 L CA -0.474 54.485 54.840 0.199 0.000 0.818 370 L CB 1.869 44.018 42.059 0.150 0.000 1.259 370 L HN 0.783 nan 8.230 nan 0.000 0.418 371 Q N 2.640 122.517 119.800 0.128 0.000 2.416 371 Q HA 0.711 5.051 4.340 -0.000 0.000 0.281 371 Q C -1.180 174.840 176.000 0.033 0.000 1.067 371 Q CA -0.394 55.475 55.803 0.110 0.000 0.809 371 Q CB 2.309 31.098 28.738 0.086 0.000 1.418 371 Q HN 0.857 nan 8.270 nan 0.000 0.411 372 T N -0.981 113.580 114.554 0.011 0.000 2.906 372 T HA 0.913 5.263 4.350 -0.000 0.000 0.295 372 T C -0.377 174.283 174.700 -0.067 0.000 1.075 372 T CA -0.218 61.853 62.100 -0.048 0.000 1.005 372 T CB 1.357 70.219 68.868 -0.010 0.000 1.136 372 T HN 0.715 nan 8.240 nan 0.000 0.498 373 S N 0.426 116.057 115.700 -0.114 0.000 2.806 373 S HA 0.766 5.235 4.470 -0.000 0.000 0.315 373 S C 1.796 176.352 174.600 -0.074 0.000 1.127 373 S CA -0.452 57.689 58.200 -0.099 0.000 0.918 373 S CB 0.871 63.980 63.200 -0.151 0.000 1.240 373 S HN 1.308 nan 8.310 nan 0.000 0.552 374 A N 0.381 123.166 122.820 -0.057 0.000 1.903 374 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 374 A C 1.236 178.793 177.584 -0.045 0.000 1.191 374 A CA 1.402 53.415 52.037 -0.040 0.000 0.638 374 A CB -0.987 17.994 19.000 -0.032 0.000 0.823 374 A HN 0.828 nan 8.150 nan 0.000 0.451 378 Y N 1.925 122.024 120.300 -0.336 0.000 2.386 378 Y HA 0.750 5.300 4.550 -0.000 0.000 0.334 378 Y C -1.357 174.578 175.900 0.058 0.000 1.002 378 Y CA -1.478 56.543 58.100 -0.131 0.000 1.068 378 Y CB 2.172 40.559 38.460 -0.122 0.000 1.203 378 Y HN 0.793 nan 8.280 nan 0.000 0.443 379 V N 7.045 126.896 119.914 -0.105 0.000 2.709 379 V HA 0.792 4.911 4.120 -0.000 0.000 0.308 379 V C -1.828 174.097 176.094 -0.282 0.000 1.062 379 V CA -0.610 61.607 62.300 -0.139 0.000 0.901 379 V CB 2.099 33.993 31.823 0.119 0.000 1.003 379 V HN 0.600 nan 8.190 nan 0.000 0.425 380 V N 7.532 127.289 119.914 -0.261 0.000 2.495 380 V HA 0.610 4.730 4.120 -0.000 0.000 0.298 380 V C -0.378 175.671 176.094 -0.076 0.000 1.031 380 V CA -0.437 61.752 62.300 -0.185 0.000 0.871 380 V CB 1.757 33.458 31.823 -0.204 0.000 0.988 380 V HN 0.729 nan 8.190 nan 0.000 0.432 381 I N 3.386 123.911 120.570 -0.076 0.000 2.499 381 I HA 0.471 4.640 4.170 -0.000 0.000 0.288 381 I C -1.219 174.808 176.117 -0.149 0.000 1.048 381 I CA -0.590 60.640 61.300 -0.117 0.000 1.062 381 I CB 2.226 40.135 38.000 -0.152 0.000 1.238 381 I HN 0.442 nan 8.210 nan 0.000 0.426 382 D N 7.173 127.489 120.400 -0.140 0.000 2.193 382 D HA 0.659 5.299 4.640 -0.000 0.000 0.244 382 D C -0.435 175.781 176.300 -0.141 0.000 1.064 382 D CA -0.018 53.917 54.000 -0.109 0.000 0.845 382 D CB 2.065 42.844 40.800 -0.036 0.000 1.148 382 D HN 0.481 nan 8.370 nan 0.000 0.464 383 I N -2.133 118.369 120.570 -0.114 0.000 3.074 383 I HA 0.525 4.695 4.170 -0.000 0.000 0.310 383 I C -0.533 175.572 176.117 -0.020 0.000 1.153 383 I CA -1.056 60.178 61.300 -0.110 0.000 0.993 383 I CB 2.662 40.565 38.000 -0.162 0.000 1.237 383 I HN 0.038 nan 8.210 nan 0.000 0.443 384 E N 2.872 123.068 120.200 -0.006 0.000 2.081 384 E HA 0.719 5.069 4.350 -0.000 0.000 0.276 384 E C -0.986 175.634 176.600 0.035 0.000 0.950 384 E CA -0.462 55.952 56.400 0.023 0.000 0.776 384 E CB 1.186 30.898 29.700 0.020 0.000 1.094 384 E HN 0.918 nan 8.360 nan 0.000 0.402 385 A N 4.066 126.914 122.820 0.046 0.000 2.522 385 A HA 0.290 4.610 4.320 -0.000 0.000 0.291 385 A C -1.430 176.187 177.584 0.055 0.000 1.039 385 A CA -0.862 51.206 52.037 0.052 0.000 0.643 385 A CB 1.224 20.264 19.000 0.067 0.000 1.310 385 A HN 0.692 nan 8.150 nan 0.000 0.436 386 D N -0.872 119.559 120.400 0.050 0.000 2.506 386 D HA 0.465 5.105 4.640 -0.000 0.000 0.272 386 D C 1.162 177.492 176.300 0.051 0.000 1.214 386 D CA 0.157 54.186 54.000 0.048 0.000 1.067 386 D CB 1.020 41.843 40.800 0.038 0.000 1.117 386 D HN 0.535 nan 8.370 nan 0.000 0.578 387 E N -0.029 120.199 120.200 0.047 0.000 2.038 387 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 387 E C 1.089 177.714 176.600 0.041 0.000 1.000 387 E CA 1.859 58.287 56.400 0.046 0.000 0.803 387 E CB -0.190 29.534 29.700 0.041 0.000 0.750 387 E HN 0.447 nan 8.360 nan 0.000 0.448 388 D N -0.206 120.215 120.400 0.035 0.000 2.156 388 D HA -0.193 4.447 4.640 -0.000 0.000 0.190 388 D C 2.116 178.436 176.300 0.034 0.000 0.998 388 D CA 2.163 56.181 54.000 0.030 0.000 0.842 388 D CB -0.666 40.150 40.800 0.026 0.000 0.974 388 D HN 0.154 nan 8.370 nan 0.000 0.447 389 V N 1.981 121.919 119.914 0.040 0.000 2.317 389 V HA -0.318 3.802 4.120 -0.000 0.000 0.251 389 V C 2.538 178.670 176.094 0.064 0.000 1.065 389 V CA 2.119 64.449 62.300 0.051 0.000 1.049 389 V CB -1.010 30.851 31.823 0.062 0.000 0.651 389 V HN 0.244 nan 8.190 nan 0.000 0.450 390 A N -0.250 122.612 122.820 0.069 0.000 1.829 390 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 390 A C 2.184 179.803 177.584 0.058 0.000 1.207 390 A CA 1.794 53.879 52.037 0.080 0.000 0.622 390 A CB -0.742 18.298 19.000 0.067 0.000 0.846 390 A HN 0.476 nan 8.150 nan 0.000 0.447 391 E N -0.269 119.957 120.200 0.043 0.000 2.233 391 E HA -0.250 4.100 4.350 -0.000 0.000 0.199 391 E C 1.909 178.518 176.600 0.015 0.000 1.004 391 E CA 1.585 58.004 56.400 0.031 0.000 0.819 391 E CB -0.271 29.445 29.700 0.028 0.000 0.738 391 E HN 0.722 nan 8.360 nan 0.000 0.478 392 K N 0.292 120.698 120.400 0.011 0.000 2.025 392 K HA -0.059 4.261 4.320 -0.000 0.000 0.207 392 K C 2.071 178.644 176.600 -0.046 0.000 1.049 392 K CA 1.164 57.444 56.287 -0.012 0.000 0.933 392 K CB -0.052 32.444 32.500 -0.007 0.000 0.714 392 K HN 0.055 nan 8.250 nan 0.000 0.438 393 A N 1.238 124.029 122.820 -0.049 0.000 1.930 393 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 393 A C 2.008 179.524 177.584 -0.113 0.000 1.175 393 A CA 1.071 53.012 52.037 -0.160 0.000 0.627 393 A CB -0.523 18.408 19.000 -0.116 0.000 0.815 393 A HN 0.387 nan 8.150 nan 0.000 0.443 394 L N -0.546 120.669 121.223 -0.014 0.000 2.046 394 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 394 L C 2.318 179.194 176.870 0.009 0.000 1.077 394 L CA 2.078 56.931 54.840 0.021 0.000 0.747 394 L CB -0.598 41.487 42.059 0.043 0.000 0.896 394 L HN 0.328 nan 8.230 nan 0.000 0.432 395 Q N 0.358 120.154 119.800 -0.007 0.000 2.119 395 Q HA 0.083 4.423 4.340 -0.000 0.000 0.201 395 Q C 1.258 177.246 176.000 -0.021 0.000 0.972 395 Q CA 1.003 56.803 55.803 -0.005 0.000 0.847 395 Q CB -0.855 27.878 28.738 -0.008 0.000 0.903 395 Q HN 0.610 nan 8.270 nan 0.000 0.433 399 A N 1.351 124.195 122.820 0.040 0.000 2.251 399 A HA 0.263 4.582 4.320 -0.000 0.000 0.209 399 A C 0.690 178.287 177.584 0.023 0.000 1.187 399 A CA 0.042 52.092 52.037 0.021 0.000 0.823 399 A CB -0.395 18.603 19.000 -0.003 0.000 0.846 399 A HN 0.149 nan 8.150 nan 0.000 0.486 400 I N 1.341 121.937 120.570 0.043 0.000 2.496 400 I HA 0.146 4.316 4.170 -0.000 0.000 0.285 400 I C -2.309 173.843 176.117 0.058 0.000 1.080 400 I CA -1.945 59.372 61.300 0.029 0.000 1.404 400 I CB 0.960 38.958 38.000 -0.002 0.000 1.403 400 I HN 0.017 nan 8.210 nan 0.000 0.539 401 P HA 0.089 nan 4.420 nan 0.000 0.267 401 P C 0.699 178.034 177.300 0.059 0.000 1.205 401 P CA 0.545 63.667 63.100 0.037 0.000 0.765 401 P CB 0.704 32.415 31.700 0.018 0.000 0.828 402 G N 1.559 110.401 108.800 0.069 0.000 2.195 402 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.224 402 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.224 402 G C 0.306 175.286 174.900 0.133 0.000 0.990 402 G CA -0.202 44.956 45.100 0.098 0.000 0.639 402 G HN 0.567 nan 8.290 nan 0.000 0.514 403 T N 1.013 115.640 114.554 0.121 0.000 2.888 403 T HA 0.473 4.823 4.350 -0.000 0.000 0.301 403 T C 1.775 176.472 174.700 -0.005 0.000 1.001 403 T CA 0.573 62.707 62.100 0.057 0.000 1.147 403 T CB 1.280 70.212 68.868 0.107 0.000 0.931 403 T HN 0.254 nan 8.240 nan 0.000 0.541 404 I N 2.269 122.804 120.570 -0.059 0.000 3.039 404 I HA 0.211 4.381 4.170 -0.000 0.000 0.270 404 I C 1.164 177.252 176.117 -0.048 0.000 1.150 404 I CA 0.269 61.547 61.300 -0.036 0.000 1.448 404 I CB 0.268 38.255 38.000 -0.023 0.000 1.197 404 I HN 0.601 nan 8.210 nan 0.000 0.450 405 R N 0.811 121.258 120.500 -0.089 0.000 2.739 405 R HA 0.754 5.094 4.340 -0.000 0.000 0.266 405 R C -1.883 174.385 176.300 -0.055 0.000 1.044 405 R CA -0.837 55.233 56.100 -0.050 0.000 0.885 405 R CB 1.391 31.679 30.300 -0.019 0.000 1.260 405 R HN -0.120 nan 8.270 nan 0.000 0.477 406 A N 1.827 124.660 122.820 0.021 0.000 2.488 406 A HA 0.793 5.112 4.320 -0.000 0.000 0.298 406 A C -1.256 176.380 177.584 0.086 0.000 1.044 406 A CA -0.820 51.278 52.037 0.102 0.000 0.693 406 A CB 2.143 21.269 19.000 0.210 0.000 1.272 406 A HN 0.884 nan 8.150 nan 0.000 0.402 407 R N 1.430 121.986 120.500 0.093 0.000 2.740 407 R HA 0.669 5.009 4.340 -0.000 0.000 0.273 407 R C -1.982 174.344 176.300 0.045 0.000 0.998 407 R CA -0.787 55.347 56.100 0.057 0.000 0.900 407 R CB 1.409 31.729 30.300 0.033 0.000 1.223 407 R HN 0.743 nan 8.270 nan 0.000 0.466 408 L N 5.353 126.595 121.223 0.032 0.000 2.268 408 L HA 0.281 4.621 4.340 -0.000 0.000 0.289 408 L C 0.127 176.994 176.870 -0.005 0.000 1.064 408 L CA 0.083 54.928 54.840 0.009 0.000 0.824 408 L CB 0.837 42.914 42.059 0.029 0.000 1.202 408 L HN 0.846 nan 8.230 nan 0.000 0.433 409 L N 5.567 126.743 121.223 -0.079 0.000 2.109 409 L HA 0.013 4.353 4.340 -0.000 0.000 0.207 409 L C -0.102 176.817 176.870 0.081 0.000 1.086 409 L CA 0.654 55.468 54.840 -0.045 0.000 0.760 409 L CB -0.370 41.610 42.059 -0.132 0.000 0.910 409 L HN 0.773 nan 8.230 nan 0.000 0.437 410 Y N 0.000 120.328 120.300 0.047 0.000 2.660 410 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 410 Y CA 0.000 58.126 58.100 0.043 0.000 1.940 410 Y CB 0.000 38.484 38.460 0.041 0.000 1.050 410 Y HN 0.000 nan 8.280 nan 0.000 0.758